NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21877 | 2if1 | 4255 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 3H MET 1 -33.503 -37.069 -37.069 2 2H MET 1 2H MET 1 -33.658 -35.411 -35.411 3 3H MET 1 1H MET 1 -32.786 -36.477 -36.477 4 HA MET 1 HA MET 1 -31.197 -35.284 -35.284 5 1HB MET 1 2HB MET 1 -33.066 -35.715 -35.715 6 2HB MET 1 1HB MET 1 -31.368 -35.381 -35.381 7 1HG MET 1 2HG MET 1 -31.864 -33.230 -33.230 8 2HG MET 1 1HG MET 1 -32.119 -33.457 -33.457 9 1HE MET 1 3HE MET 1 -33.505 -32.253 -32.253 10 2HE MET 1 2HE MET 1 -35.226 -32.636 -32.636 11 3HE MET 1 1HE MET 1 -34.039 -33.908 -33.908 12 H ARG 2 H ARG 2 -32.322 -37.760 -37.760 13 HA ARG 2 HA ARG 2 -31.387 -39.701 -39.701 14 1HB ARG 2 2HB ARG 2 -31.769 -40.152 -40.152 15 2HB ARG 2 1HB ARG 2 -30.028 -39.955 -39.955 16 1HG ARG 2 2HG ARG 2 -29.568 -41.873 -41.873 17 2HG ARG 2 1HG ARG 2 -31.123 -41.853 -41.853 18 1HD ARG 2 2HD ARG 2 -31.504 -42.071 -42.071 19 2HD ARG 2 1HD ARG 2 -30.416 -43.333 -43.333 20 HE ARG 2 HE ARG 2 -32.488 -43.374 -43.374 21 1HH1 ARG 2 2HH1 ARG 2 -32.228 -43.637 -43.637 22 2HH1 ARG 2 1HH1 ARG 2 -33.619 -44.658 -44.658 23 1HH2 ARG 2 1HH2 ARG 2 -34.318 -44.716 -44.716 24 2HH2 ARG 2 2HH2 ARG 2 -34.806 -45.270 -45.270 25 H GLY 3 H GLY 3 -29.921 -37.192 -37.192 26 1HA GLY 3 2HA GLY 3 -27.120 -37.982 -37.982 27 2HA GLY 3 1HA GLY 3 -27.718 -36.407 -36.407 28 H SER 4 H SER 4 -27.104 -35.982 -35.982 29 HA SER 4 HA SER 4 -26.452 -38.044 -38.044 30 1HB SER 4 2HB SER 4 -26.713 -35.053 -35.053 31 2HB SER 4 1HB SER 4 -25.996 -36.181 -36.181 32 HG SER 4 HG SER 4 -25.060 -35.899 -35.899 33 H HIS 5 H HIS 5 -27.707 -38.975 -38.975 34 HA HIS 5 HA HIS 5 -30.202 -37.651 -37.651 35 1HB HIS 5 2HB HIS 5 -31.430 -39.770 -39.770 36 2HB HIS 5 1HB HIS 5 -30.785 -39.271 -39.271 37 HD1 HIS 5 HD1 HIS 5 -31.275 -42.218 -42.218 38 HD2 HIS 5 HD2 HIS 5 -27.973 -40.628 -40.628 39 HE1 HIS 5 HE1 HIS 5 -29.776 -44.177 -44.177 40 HE2 HIS 5 HE2 HIS 5 -27.824 -43.202 -43.202 41 H HIS 6 H HIS 6 -28.617 -37.221 -37.221 42 HA HIS 6 HA HIS 6 -29.003 -39.262 -39.262 43 1HB HIS 6 2HB HIS 6 -26.312 -38.097 -38.097 44 2HB HIS 6 1HB HIS 6 -26.627 -38.970 -38.970 45 HD1 HIS 6 HD1 HIS 6 -27.500 -41.530 -41.530 46 HD2 HIS 6 HD2 HIS 6 -25.572 -39.681 -39.681 47 HE1 HIS 6 HE1 HIS 6 -26.801 -43.393 -43.393 48 HE2 HIS 6 HE2 HIS 6 -25.713 -42.244 -42.244 49 H HIS 7 H HIS 7 -30.161 -36.644 -36.644 50 HA HIS 7 HA HIS 7 -29.347 -35.273 -35.273 51 1HB HIS 7 2HB HIS 7 -29.750 -34.203 -34.203 52 2HB HIS 7 1HB HIS 7 -30.398 -33.233 -33.233 53 HD1 HIS 7 HD1 HIS 7 -27.714 -32.921 -32.921 54 HD2 HIS 7 HD2 HIS 7 -27.948 -33.534 -33.534 55 HE1 HIS 7 HE1 HIS 7 -25.532 -32.084 -32.084 56 HE2 HIS 7 HE2 HIS 7 -25.734 -32.382 -32.382 57 H HIS 8 H HIS 8 -31.120 -33.780 -33.780 58 HA HIS 8 HA HIS 8 -33.577 -35.315 -35.315 59 1HB HIS 8 2HB HIS 8 -32.305 -33.189 -33.189 60 2HB HIS 8 1HB HIS 8 -34.065 -33.175 -33.175 61 HD1 HIS 8 HD1 HIS 8 -34.869 -36.001 -36.001 62 HD2 HIS 8 HD2 HIS 8 -31.568 -34.491 -34.491 63 HE1 HIS 8 HE1 HIS 8 -34.494 -37.562 -37.562 64 HE2 HIS 8 HE2 HIS 8 -32.433 -36.683 -36.683 65 H HIS 9 H HIS 9 -32.456 -32.197 -32.197 66 HA HIS 9 HA HIS 9 -34.454 -31.975 -31.975 67 1HB HIS 9 2HB HIS 9 -35.593 -29.904 -29.904 68 2HB HIS 9 1HB HIS 9 -36.108 -31.504 -31.504 69 HD1 HIS 9 HD1 HIS 9 -36.948 -30.393 -30.393 70 HD2 HIS 9 HD2 HIS 9 -32.843 -30.199 -30.199 71 HE1 HIS 9 HE1 HIS 9 -35.959 -29.768 -29.768 72 HE2 HIS 9 HE2 HIS 9 -33.469 -29.753 -29.753 73 H HIS 10 H HIS 10 -32.397 -31.550 -31.550 74 HA HIS 10 HA HIS 10 -31.846 -28.708 -28.708 75 1HB HIS 10 2HB HIS 10 -30.127 -30.520 -30.520 76 2HB HIS 10 1HB HIS 10 -29.267 -29.851 -29.851 77 HD1 HIS 10 HD1 HIS 10 -29.995 -29.141 -29.141 78 HD2 HIS 10 HD2 HIS 10 -29.535 -26.853 -26.853 79 HE1 HIS 10 HE1 HIS 10 -29.539 -26.803 -26.803 80 HE2 HIS 10 HE2 HIS 10 -29.181 -25.454 -25.454 81 H THR 11 H THR 11 -29.858 -31.461 -31.461 82 HA THR 11 HA THR 11 -29.067 -32.054 -32.054 83 HB THR 11 HB THR 11 -30.772 -32.433 -32.433 84 HG1 THR 11 HG1 THR 11 -32.914 -31.723 -31.723 85 1HG2 THR 11 2HG2 THR 11 -31.148 -33.287 -33.287 86 2HG2 THR 11 1HG2 THR 11 -32.613 -33.353 -33.353 87 3HG2 THR 11 3HG2 THR 11 -31.168 -34.221 -34.221 88 H ASP 12 H ASP 12 -27.602 -30.361 -30.361 89 HA ASP 12 HA ASP 12 -28.460 -28.407 -28.407 90 1HB ASP 12 2HB ASP 12 -27.085 -27.898 -27.898 91 2HB ASP 12 1HB ASP 12 -26.656 -26.899 -26.899 92 HA PRO 13 HA PRO 13 -24.887 -30.951 -30.951 93 1HB PRO 13 2HB PRO 13 -26.104 -29.871 -29.871 94 2HB PRO 13 1HB PRO 13 -25.530 -31.503 -31.503 95 1HG PRO 13 2HG PRO 13 -28.136 -30.966 -30.966 96 2HG PRO 13 1HG PRO 13 -27.462 -32.075 -32.075 97 1HD PRO 13 2HD PRO 13 -28.368 -29.248 -29.248 98 2HD PRO 13 1HD PRO 13 -28.500 -30.610 -30.610 99 H MET 14 H MET 14 -25.953 -27.666 -27.666 100 HA MET 14 HA MET 14 -23.817 -26.679 -26.679 101 1HB MET 14 2HB MET 14 -25.842 -25.387 -25.387 102 2HB MET 14 1HB MET 14 -25.518 -25.286 -25.286 103 1HG MET 14 2HG MET 14 -23.488 -23.988 -23.988 104 2HG MET 14 1HG MET 14 -23.874 -24.052 -24.052 105 1HE MET 14 3HE MET 14 -23.123 -21.816 -21.816 106 2HE MET 14 2HE MET 14 -24.043 -20.594 -20.594 107 3HE MET 14 1HE MET 14 -24.354 -20.870 -20.870 108 H SER 15 H SER 15 -24.026 -27.528 -27.528 109 HA SER 15 HA SER 15 -21.860 -26.012 -26.012 110 1HB SER 15 2HB SER 15 -23.198 -28.542 -28.542 111 2HB SER 15 1HB SER 15 -21.803 -27.873 -27.873 112 HG SER 15 HG SER 15 -24.148 -26.387 -26.387 113 H ALA 16 H ALA 16 -21.942 -28.716 -28.716 114 HA ALA 16 HA ALA 16 -19.122 -29.332 -29.332 115 1HB ALA 16 3HB ALA 16 -20.784 -31.195 -31.195 116 2HB ALA 16 2HB ALA 16 -21.054 -31.015 -31.015 117 3HB ALA 16 1HB ALA 16 -19.462 -31.479 -31.479 118 H ILE 17 H ILE 17 -19.587 -27.009 -27.009 119 HA ILE 17 HA ILE 17 -18.734 -27.754 -27.754 120 HB ILE 17 HB ILE 17 -20.242 -25.248 -25.248 121 1HG1 ILE 17 2HG1 ILE 17 -21.199 -27.762 -27.762 122 2HG1 ILE 17 1HG1 ILE 17 -21.699 -27.194 -27.194 123 1HG2 ILE 17 2HG2 ILE 17 -18.578 -25.629 -25.629 124 2HG2 ILE 17 1HG2 ILE 17 -20.128 -26.122 -26.122 125 3HG2 ILE 17 3HG2 ILE 17 -19.944 -24.513 -24.513 126 1HD1 ILE 17 2HD1 ILE 17 -22.132 -25.556 -25.556 127 2HD1 ILE 17 1HD1 ILE 17 -23.280 -26.787 -26.787 128 3HD1 ILE 17 3HD1 ILE 17 -22.919 -25.414 -25.414 129 H GLN 18 H GLN 18 -16.542 -27.703 -27.703 130 HA GLN 18 HA GLN 18 -15.510 -25.006 -25.006 131 1HB GLN 18 2HB GLN 18 -13.471 -26.316 -26.316 132 2HB GLN 18 1HB GLN 18 -14.919 -26.290 -26.290 133 1HG GLN 18 2HG GLN 18 -14.806 -28.520 -28.520 134 2HG GLN 18 1HG GLN 18 -13.518 -28.518 -28.518 135 1HE2 GLN 18 2HE2 GLN 18 -16.463 -30.378 -30.378 136 2HE2 GLN 18 1HE2 GLN 18 -15.473 -30.485 -30.485 137 H ASN 19 H ASN 19 -16.109 -26.138 -26.138 138 HA ASN 19 HA ASN 19 -15.207 -26.234 -26.234 139 1HB ASN 19 2HB ASN 19 -12.789 -24.922 -24.922 140 2HB ASN 19 1HB ASN 19 -13.233 -24.907 -24.907 141 1HD2 ASN 19 2HD2 ASN 19 -14.280 -21.670 -21.670 142 2HD2 ASN 19 1HD2 ASN 19 -12.843 -22.537 -22.537 143 H LEU 20 H LEU 20 -15.157 -28.615 -28.615 144 HA LEU 20 HA LEU 20 -12.522 -29.733 -29.733 145 1HB LEU 20 2HB LEU 20 -15.239 -30.599 -30.599 146 2HB LEU 20 1HB LEU 20 -14.374 -31.774 -31.774 147 HG LEU 20 HG LEU 20 -14.362 -32.247 -32.247 148 1HD1 LEU 20 3HD1 LEU 20 -11.698 -31.769 -31.769 149 2HD1 LEU 20 2HD1 LEU 20 -11.955 -32.764 -32.764 150 3HD1 LEU 20 1HD1 LEU 20 -12.684 -33.229 -33.229 151 1HD2 LEU 20 1HD2 LEU 20 -13.863 -29.594 -29.594 152 2HD2 LEU 20 3HD2 LEU 20 -13.570 -30.814 -30.814 153 3HD2 LEU 20 2HD2 LEU 20 -12.249 -30.275 -30.275 154 H HIS 21 H HIS 21 -11.547 -31.268 -31.268 155 HA HIS 21 HA HIS 21 -10.616 -31.689 -31.689 156 1HB HIS 21 2HB HIS 21 -12.743 -32.367 -32.367 157 2HB HIS 21 1HB HIS 21 -11.916 -33.450 -33.450 158 HD1 HIS 21 HD1 HIS 21 -15.016 -31.316 -31.316 159 HD2 HIS 21 HD2 HIS 21 -13.431 -34.335 -34.335 160 HE1 HIS 21 HE1 HIS 21 -16.892 -32.037 -32.037 161 HE2 HIS 21 HE2 HIS 21 -15.936 -33.929 -33.929 162 H SER 22 H SER 22 -9.836 -29.684 -29.684 163 HA SER 22 HA SER 22 -11.400 -28.390 -28.390 164 1HB SER 22 2HB SER 22 -11.566 -27.055 -27.055 165 2HB SER 22 1HB SER 22 -9.812 -26.875 -26.875 166 HG SER 22 HG SER 22 -11.731 -25.822 -25.822 167 H PHE 23 H PHE 23 -9.230 -30.314 -30.314 168 HA PHE 23 HA PHE 23 -7.639 -29.101 -29.101 169 1HB PHE 23 2HB PHE 23 -6.663 -28.144 -28.144 170 2HB PHE 23 1HB PHE 23 -6.051 -29.768 -29.768 171 HD1 PHE 23 HD1 PHE 23 -4.732 -30.812 -30.812 172 HD2 PHE 23 HD2 PHE 23 -5.303 -26.647 -26.647 173 HE1 PHE 23 HE1 PHE 23 -2.765 -30.323 -30.323 174 HE2 PHE 23 HE2 PHE 23 -3.337 -26.151 -26.151 175 HZ PHE 23 HZ PHE 23 -2.067 -27.990 -27.990 176 H ASP 24 H ASP 24 -7.432 -30.741 -30.741 177 HA ASP 24 HA ASP 24 -6.035 -33.097 -33.097 178 1HB ASP 24 2HB ASP 24 -8.922 -33.181 -33.181 179 2HB ASP 24 1HB ASP 24 -8.345 -34.474 -34.474 180 HA PRO 25 HA PRO 25 -6.016 -32.080 -32.080 181 1HB PRO 25 2HB PRO 25 -4.106 -34.369 -34.369 182 2HB PRO 25 1HB PRO 25 -3.943 -32.827 -32.827 183 1HG PRO 25 2HG PRO 25 -2.654 -33.251 -33.251 184 2HG PRO 25 1HG PRO 25 -3.378 -31.672 -31.672 185 1HD PRO 25 2HD PRO 25 -4.320 -33.820 -33.820 186 2HD PRO 25 1HD PRO 25 -4.448 -32.057 -32.057 187 H PHE 26 H PHE 26 -6.483 -35.155 -35.155 188 HA PHE 26 HA PHE 26 -7.811 -36.212 -36.212 189 1HB PHE 26 2HB PHE 26 -6.852 -37.731 -37.731 190 2HB PHE 26 1HB PHE 26 -7.509 -38.430 -38.430 191 HD1 PHE 26 HD1 PHE 26 -4.757 -36.171 -36.171 192 HD2 PHE 26 HD2 PHE 26 -6.043 -39.199 -39.199 193 HE1 PHE 26 HE1 PHE 26 -2.491 -36.280 -36.280 194 HE2 PHE 26 HE2 PHE 26 -3.778 -39.314 -39.314 195 HZ PHE 26 HZ PHE 26 -1.998 -37.854 -37.854 196 H ALA 27 H ALA 27 -8.976 -34.291 -34.291 197 HA ALA 27 HA ALA 27 -11.543 -35.407 -35.407 198 1HB ALA 27 3HB ALA 27 -10.180 -36.567 -36.567 199 2HB ALA 27 2HB ALA 27 -10.364 -35.027 -35.027 200 3HB ALA 27 1HB ALA 27 -11.791 -35.942 -35.942 201 H ASP 28 H ASP 28 -12.523 -33.584 -33.584 202 HA ASP 28 HA ASP 28 -13.293 -31.446 -31.446 203 1HB ASP 28 2HB ASP 28 -13.469 -32.247 -32.247 204 2HB ASP 28 1HB ASP 28 -12.367 -30.889 -30.889 205 H ALA 29 H ALA 29 -11.124 -31.434 -31.434 206 HA ALA 29 HA ALA 29 -9.983 -28.887 -28.887 207 1HB ALA 29 3HB ALA 29 -8.838 -30.593 -30.593 208 2HB ALA 29 2HB ALA 29 -7.771 -30.788 -30.788 209 3HB ALA 29 1HB ALA 29 -8.025 -29.190 -29.190 210 H SER 30 H SER 30 -8.307 -28.423 -28.423 211 HA SER 30 HA SER 30 -7.545 -30.296 -30.296 212 1HB SER 30 2HB SER 30 -10.168 -29.675 -29.675 213 2HB SER 30 1HB SER 30 -9.420 -28.416 -28.416 214 HG SER 30 HG SER 30 -8.763 -29.875 -29.875 215 H LYS 31 H LYS 31 -5.690 -29.516 -29.516 216 HA LYS 31 HA LYS 31 -5.470 -26.701 -26.701 217 1HB LYS 31 2HB LYS 31 -4.728 -27.093 -27.093 218 2HB LYS 31 1HB LYS 31 -3.344 -27.926 -27.926 219 1HG LYS 31 2HG LYS 31 -3.211 -25.663 -25.663 220 2HG LYS 31 1HG LYS 31 -4.001 -25.045 -25.045 221 1HD LYS 31 2HD LYS 31 -1.837 -26.799 -26.799 222 2HD LYS 31 1HD LYS 31 -1.265 -25.546 -25.546 223 1HE LYS 31 2HE LYS 31 -2.811 -25.078 -25.078 224 2HE LYS 31 1HE LYS 31 -1.072 -24.863 -24.863 225 1HZ LYS 31 1HZ LYS 31 -2.699 -23.434 -23.434 226 2HZ LYS 31 3HZ LYS 31 -2.886 -22.916 -22.916 227 3HZ LYS 31 2HZ LYS 31 -1.354 -22.911 -22.911 228 H GLY 32 H GLY 32 -4.279 -26.407 -26.407 229 1HA GLY 32 2HA GLY 32 -2.992 -28.773 -28.773 230 2HA GLY 32 1HA GLY 32 -3.448 -27.318 -27.318 231 H ASP 33 H ASP 33 -0.867 -29.028 -29.028 232 HA ASP 33 HA ASP 33 0.924 -27.225 -27.225 233 1HB ASP 33 2HB ASP 33 1.162 -29.724 -29.724 234 2HB ASP 33 1HB ASP 33 2.599 -28.712 -28.712 235 H ASP 34 H ASP 34 -0.184 -27.570 -27.570 236 HA ASP 34 HA ASP 34 1.749 -25.559 -25.559 237 1HB ASP 34 2HB ASP 34 -0.126 -27.320 -27.320 238 2HB ASP 34 1HB ASP 34 1.036 -26.188 -26.188 239 H LEU 35 H LEU 35 -1.722 -26.227 -26.227 240 HA LEU 35 HA LEU 35 -2.396 -23.639 -23.639 241 1HB LEU 35 2HB LEU 35 -3.693 -26.090 -26.090 242 2HB LEU 35 1HB LEU 35 -4.570 -25.058 -25.058 243 HG LEU 35 HG LEU 35 -4.032 -24.272 -24.272 244 1HD1 LEU 35 2HD1 LEU 35 -6.075 -26.082 -26.082 245 2HD1 LEU 35 1HD1 LEU 35 -6.626 -24.889 -24.889 246 3HD1 LEU 35 3HD1 LEU 35 -5.364 -26.041 -26.041 247 1HD2 LEU 35 3HD2 LEU 35 -6.017 -23.309 -23.309 248 2HD2 LEU 35 2HD2 LEU 35 -4.578 -22.446 -22.446 249 3HD2 LEU 35 1HD2 LEU 35 -5.906 -22.741 -22.741 250 H LEU 36 H LEU 36 -1.933 -21.957 -21.957 251 HA LEU 36 HA LEU 36 -2.625 -22.119 -22.119 252 1HB LEU 36 2HB LEU 36 -0.821 -20.279 -20.279 253 2HB LEU 36 1HB LEU 36 -1.295 -19.945 -19.945 254 HG LEU 36 HG LEU 36 0.874 -20.954 -20.954 255 1HD1 LEU 36 1HD1 LEU 36 -1.173 -21.805 -21.805 256 2HD1 LEU 36 3HD1 LEU 36 -0.695 -23.331 -23.331 257 3HD1 LEU 36 2HD1 LEU 36 0.479 -22.395 -22.395 258 1HD2 LEU 36 2HD2 LEU 36 0.632 -22.042 -22.042 259 2HD2 LEU 36 1HD2 LEU 36 1.410 -23.038 -23.038 260 3HD2 LEU 36 3HD2 LEU 36 -0.274 -23.329 -23.329 261 HA PRO 37 HA PRO 37 -6.114 -19.450 -19.450 262 1HB PRO 37 2HB PRO 37 -4.627 -17.589 -17.589 263 2HB PRO 37 1HB PRO 37 -6.234 -18.298 -18.298 264 1HG PRO 37 2HG PRO 37 -4.166 -19.222 -19.222 265 2HG PRO 37 1HG PRO 37 -5.393 -20.326 -20.326 266 1HD PRO 37 2HD PRO 37 -2.620 -19.796 -19.796 267 2HD PRO 37 1HD PRO 37 -3.548 -21.310 -21.310 268 H ALA 38 H ALA 38 -3.249 -17.332 -17.332 269 HA ALA 38 HA ALA 38 -3.430 -16.285 -16.285 270 1HB ALA 38 2HB ALA 38 -5.417 -15.273 -15.273 271 2HB ALA 38 1HB ALA 38 -4.176 -14.021 -14.021 272 3HB ALA 38 3HB ALA 38 -4.854 -14.576 -14.576 273 H GLY 39 H GLY 39 -1.806 -14.745 -14.745 274 1HA GLY 39 2HA GLY 39 0.454 -14.905 -14.905 275 2HA GLY 39 1HA GLY 39 0.374 -14.025 -14.025 276 H THR 40 H THR 40 -0.462 -13.880 -13.880 277 HA THR 40 HA THR 40 -0.542 -10.944 -10.944 278 HB THR 40 HB THR 40 -1.681 -11.217 -11.217 279 HG1 THR 40 HG1 THR 40 -2.000 -13.194 -13.194 280 1HG2 THR 40 1HG2 THR 40 -2.710 -10.811 -10.811 281 2HG2 THR 40 3HG2 THR 40 -3.563 -12.272 -12.272 282 3HG2 THR 40 2HG2 THR 40 -3.647 -10.819 -10.819 283 H GLU 41 H GLU 41 1.177 -13.603 -13.603 284 HA GLU 41 HA GLU 41 3.001 -13.780 -13.780 285 1HB GLU 41 2HB GLU 41 3.250 -11.259 -11.259 286 2HB GLU 41 1HB GLU 41 4.004 -11.176 -11.176 287 1HG GLU 41 2HG GLU 41 4.707 -13.630 -13.630 288 2HG GLU 41 1HG GLU 41 5.069 -12.249 -12.249 289 H ASP 42 H ASP 42 0.316 -12.786 -12.786 290 HA ASP 42 HA ASP 42 -0.599 -12.079 -12.079 291 1HB ASP 42 2HB ASP 42 1.200 -14.081 -14.081 292 2HB ASP 42 1HB ASP 42 1.731 -12.827 -12.827 293 H TYR 43 H TYR 43 0.026 -9.872 -9.872 294 HA TYR 43 HA TYR 43 2.110 -8.369 -8.369 295 1HB TYR 43 2HB TYR 43 -0.382 -7.388 -7.388 296 2HB TYR 43 1HB TYR 43 1.040 -6.420 -6.420 297 HD1 TYR 43 HD2 TYR 43 2.968 -8.836 -8.836 298 HD2 TYR 43 HD1 TYR 43 -0.239 -6.864 -6.864 299 HE1 TYR 43 HE2 TYR 43 3.940 -9.445 -9.445 300 HE2 TYR 43 HE1 TYR 43 0.726 -7.476 -7.476 301 HH TYR 43 HH TYR 43 3.881 -8.677 -8.677 302 H ILE 44 H ILE 44 1.506 -6.208 -6.208 303 HA ILE 44 HA ILE 44 -0.425 -6.837 -6.837 304 HB ILE 44 HB ILE 44 2.035 -5.093 -5.093 305 1HG1 ILE 44 2HG1 ILE 44 2.765 -7.343 -7.343 306 2HG1 ILE 44 1HG1 ILE 44 2.709 -6.864 -6.864 307 1HG2 ILE 44 1HG2 ILE 44 -0.094 -5.763 -5.763 308 2HG2 ILE 44 3HG2 ILE 44 1.480 -5.096 -5.096 309 3HG2 ILE 44 2HG2 ILE 44 0.383 -4.168 -4.168 310 1HD1 ILE 44 1HD1 ILE 44 0.347 -7.908 -7.908 311 2HD1 ILE 44 3HD1 ILE 44 0.916 -8.719 -8.719 312 3HD1 ILE 44 2HD1 ILE 44 1.761 -8.960 -8.960 313 H HIS 45 H HIS 45 -2.230 -5.885 -5.885 314 HA HIS 45 HA HIS 45 -2.326 -3.382 -3.382 315 1HB HIS 45 2HB HIS 45 -4.131 -5.473 -5.473 316 2HB HIS 45 1HB HIS 45 -4.830 -3.963 -3.963 317 HD1 HIS 45 HD1 HIS 45 -3.628 -5.634 -5.634 318 HD2 HIS 45 HD2 HIS 45 -5.870 -2.346 -2.346 319 HE1 HIS 45 HE1 HIS 45 -4.676 -4.736 -4.736 320 HE2 HIS 45 HE2 HIS 45 -6.106 -2.807 -2.807 321 H ILE 46 H ILE 46 -2.285 -1.395 -1.395 322 HA ILE 46 HA ILE 46 -2.286 -0.947 -0.947 323 HB ILE 46 HB ILE 46 -1.882 0.990 0.990 324 1HG1 ILE 46 2HG1 ILE 46 -0.144 -0.793 -0.793 325 2HG1 ILE 46 1HG1 ILE 46 0.458 0.853 0.853 326 1HG2 ILE 46 1HG2 ILE 46 -2.246 1.413 1.413 327 2HG2 ILE 46 3HG2 ILE 46 -0.776 2.145 2.145 328 3HG2 ILE 46 2HG2 ILE 46 -2.344 2.558 2.558 329 1HD1 ILE 46 2HD1 ILE 46 0.005 0.443 0.443 330 2HD1 ILE 46 1HD1 ILE 46 0.076 -1.255 -1.255 331 3HD1 ILE 46 3HD1 ILE 46 1.459 -0.201 -0.201 332 H ARG 47 H ARG 47 -3.674 1.529 1.529 333 HA ARG 47 HA ARG 47 -5.833 2.213 2.213 334 1HB ARG 47 2HB ARG 47 -6.339 -0.352 -0.352 335 2HB ARG 47 1HB ARG 47 -7.098 0.502 0.502 336 1HG ARG 47 2HG ARG 47 -8.872 0.511 0.511 337 2HG ARG 47 1HG ARG 47 -8.067 1.925 1.925 338 1HD ARG 47 2HD ARG 47 -7.428 0.819 0.819 339 2HD ARG 47 1HD ARG 47 -7.272 -0.728 -0.728 340 HE ARG 47 HE ARG 47 -9.981 -0.043 -0.043 341 1HH1 ARG 47 2HH1 ARG 47 -7.418 -0.940 -0.940 342 2HH1 ARG 47 1HH1 ARG 47 -8.488 -1.660 -1.660 343 1HH2 ARG 47 1HH2 ARG 47 -11.391 -0.991 -0.991 344 2HH2 ARG 47 2HH2 ARG 47 -10.743 -1.689 -1.689 345 H ILE 48 H ILE 48 -6.466 4.066 4.066 346 HA ILE 48 HA ILE 48 -6.126 4.618 4.618 347 HB ILE 48 HB ILE 48 -5.797 6.299 6.299 348 1HG1 ILE 48 2HG1 ILE 48 -4.376 6.202 6.202 349 2HG1 ILE 48 1HG1 ILE 48 -3.843 5.410 5.410 350 1HG2 ILE 48 2HG2 ILE 48 -6.680 7.405 7.405 351 2HG2 ILE 48 1HG2 ILE 48 -5.982 8.369 8.369 352 3HG2 ILE 48 3HG2 ILE 48 -7.521 7.543 7.543 353 1HD1 ILE 48 2HD1 ILE 48 -4.159 8.384 8.384 354 2HD1 ILE 48 1HD1 ILE 48 -2.637 7.503 7.503 355 3HD1 ILE 48 3HD1 ILE 48 -3.488 7.538 7.538 356 H GLN 49 H GLN 49 -7.745 6.000 6.000 357 HA GLN 49 HA GLN 49 -10.319 6.163 6.163 358 1HB GLN 49 2HB GLN 49 -11.518 5.201 5.201 359 2HB GLN 49 1HB GLN 49 -10.399 4.041 4.041 360 1HG GLN 49 2HG GLN 49 -8.816 5.075 5.075 361 2HG GLN 49 1HG GLN 49 -10.384 5.330 5.330 362 1HE2 GLN 49 2HE2 GLN 49 -11.042 1.921 1.921 363 2HE2 GLN 49 1HE2 GLN 49 -11.737 3.493 3.493 364 H GLN 50 H GLN 50 -10.161 8.393 8.393 365 HA GLN 50 HA GLN 50 -9.835 9.807 9.807 366 1HB GLN 50 2HB GLN 50 -8.948 10.366 10.366 367 2HB GLN 50 1HB GLN 50 -10.311 11.458 11.458 368 1HG GLN 50 2HG GLN 50 -9.326 12.516 12.516 369 2HG GLN 50 1HG GLN 50 -8.115 11.250 11.250 370 1HE2 GLN 50 2HE2 GLN 50 -6.115 13.759 13.759 371 2HE2 GLN 50 1HE2 GLN 50 -6.684 13.139 13.139 372 H ARG 51 H ARG 51 -11.727 9.640 9.640 373 HA ARG 51 HA ARG 51 -14.301 9.668 9.668 374 1HB ARG 51 2HB ARG 51 -13.115 9.692 9.692 375 2HB ARG 51 1HB ARG 51 -14.365 10.926 10.926 376 1HG ARG 51 2HG ARG 51 -16.006 9.420 9.420 377 2HG ARG 51 1HG ARG 51 -15.216 8.417 8.417 378 1HD ARG 51 2HD ARG 51 -14.417 7.015 7.015 379 2HD ARG 51 1HD ARG 51 -13.832 8.339 8.339 380 HE ARG 51 HE ARG 51 -16.515 8.348 8.348 381 1HH1 ARG 51 2HH1 ARG 51 -14.042 5.895 5.895 382 2HH1 ARG 51 1HH1 ARG 51 -14.851 5.022 5.022 383 1HH2 ARG 51 1HH2 ARG 51 -17.578 7.201 7.201 384 2HH2 ARG 51 2HH2 ARG 51 -16.859 5.763 5.763 385 H ASN 52 H ASN 52 -12.613 12.361 12.361 386 HA ASN 52 HA ASN 52 -14.396 14.236 14.236 387 1HB ASN 52 2HB ASN 52 -13.776 14.144 14.144 388 2HB ASN 52 1HB ASN 52 -12.499 15.218 15.218 389 1HD2 ASN 52 2HD2 ASN 52 -14.602 17.931 17.931 390 2HD2 ASN 52 1HD2 ASN 52 -13.054 17.214 17.214 391 H GLY 53 H GLY 53 -12.445 16.446 16.446 392 1HA GLY 53 2HA GLY 53 -10.883 15.978 15.978 393 2HA GLY 53 1HA GLY 53 -11.124 17.523 17.523 394 H ARG 54 H ARG 54 -10.045 14.548 14.548 395 HA ARG 54 HA ARG 54 -7.312 14.870 14.870 396 1HB ARG 54 2HB ARG 54 -6.861 15.877 15.877 397 2HB ARG 54 1HB ARG 54 -7.433 16.998 16.998 398 1HG ARG 54 2HG ARG 54 -9.779 16.283 16.283 399 2HG ARG 54 1HG ARG 54 -8.715 16.100 16.100 400 1HD ARG 54 2HD ARG 54 -7.918 18.499 18.499 401 2HD ARG 54 1HD ARG 54 -9.668 18.511 18.511 402 HE ARG 54 HE ARG 54 -9.910 18.740 18.740 403 1HH1 ARG 54 2HH1 ARG 54 -6.638 17.745 17.745 404 2HH1 ARG 54 1HH1 ARG 54 -6.091 17.975 17.975 405 1HH2 ARG 54 1HH2 ARG 54 -9.191 19.043 19.043 406 2HH2 ARG 54 2HH2 ARG 54 -7.538 18.711 18.711 407 H LYS 55 H LYS 55 -10.099 13.838 13.838 408 HA LYS 55 HA LYS 55 -8.790 12.141 12.141 409 1HB LYS 55 2HB LYS 55 -11.269 12.976 12.976 410 2HB LYS 55 1HB LYS 55 -11.523 11.531 11.531 411 1HG LYS 55 2HG LYS 55 -12.065 11.142 11.142 412 2HG LYS 55 1HG LYS 55 -10.706 10.144 10.144 413 1HD LYS 55 2HD LYS 55 -10.396 11.165 11.165 414 2HD LYS 55 1HD LYS 55 -9.143 11.615 11.615 415 1HE LYS 55 2HE LYS 55 -9.941 13.517 13.517 416 2HE LYS 55 1HE LYS 55 -10.175 13.760 13.760 417 1HZ LYS 55 1HZ LYS 55 -12.368 12.605 12.605 418 2HZ LYS 55 3HZ LYS 55 -12.078 14.268 14.268 419 3HZ LYS 55 2HZ LYS 55 -12.430 13.575 13.575 420 H THR 56 H THR 56 -7.216 11.413 11.413 421 HA THR 56 HA THR 56 -8.165 9.312 9.312 422 HB THR 56 HB THR 56 -5.272 9.650 9.650 423 HG1 THR 56 HG1 THR 56 -5.129 11.716 11.716 424 1HG2 THR 56 3HG2 THR 56 -7.191 9.153 9.153 425 2HG2 THR 56 2HG2 THR 56 -6.072 10.437 10.437 426 3HG2 THR 56 1HG2 THR 56 -5.452 8.858 8.858 427 H LEU 57 H LEU 57 -7.455 7.155 7.155 428 HA LEU 57 HA LEU 57 -6.056 6.259 6.259 429 1HB LEU 57 2HB LEU 57 -8.904 5.892 5.892 430 2HB LEU 57 1HB LEU 57 -8.067 4.376 4.376 431 HG LEU 57 HG LEU 57 -7.817 6.706 6.706 432 1HD1 LEU 57 1HD1 LEU 57 -10.169 5.278 5.278 433 2HD1 LEU 57 3HD1 LEU 57 -9.500 4.592 4.592 434 3HD1 LEU 57 2HD1 LEU 57 -9.817 6.323 6.323 435 1HD2 LEU 57 1HD2 LEU 57 -6.858 3.928 3.928 436 2HD2 LEU 57 3HD2 LEU 57 -6.185 5.333 5.333 437 3HD2 LEU 57 2HD2 LEU 57 -7.518 4.437 4.437 438 H THR 58 H THR 58 -4.406 5.838 5.838 439 HA THR 58 HA THR 58 -4.749 4.148 4.148 440 HB THR 58 HB THR 58 -2.243 4.587 4.587 441 HG1 THR 58 HG1 THR 58 -3.405 6.480 6.480 442 1HG2 THR 58 3HG2 THR 58 -2.110 2.723 2.723 443 2HG2 THR 58 2HG2 THR 58 -2.472 3.883 3.883 444 3HG2 THR 58 1HG2 THR 58 -0.999 4.054 4.054 445 H THR 59 H THR 59 -5.158 2.029 2.029 446 HA THR 59 HA THR 59 -4.525 0.400 0.400 447 HB THR 59 HB THR 59 -6.190 -1.160 -1.160 448 HG1 THR 59 HG1 THR 59 -6.585 0.654 0.654 449 1HG2 THR 59 2HG2 THR 59 -6.623 0.606 0.606 450 2HG2 THR 59 1HG2 THR 59 -8.036 -0.075 -0.075 451 3HG2 THR 59 3HG2 THR 59 -6.793 -1.143 -1.143 452 H VAL 60 H VAL 60 -3.947 -1.876 -1.876 453 HA VAL 60 HA VAL 60 -2.446 -2.212 -2.212 454 HB VAL 60 HB VAL 60 -1.490 -3.135 -3.135 455 1HG1 VAL 60 1HG1 VAL 60 -0.844 -4.419 -4.419 456 2HG1 VAL 60 3HG1 VAL 60 0.113 -2.997 -2.997 457 3HG1 VAL 60 2HG1 VAL 60 0.457 -3.897 -3.897 458 1HG2 VAL 60 2HG2 VAL 60 -0.889 -0.689 -0.689 459 2HG2 VAL 60 1HG2 VAL 60 -1.199 -0.843 -0.843 460 3HG2 VAL 60 3HG2 VAL 60 0.340 -1.382 -1.382 461 H GLN 61 H GLN 61 -3.238 -3.866 -3.866 462 HA GLN 61 HA GLN 61 -4.311 -6.167 -6.167 463 1HB GLN 61 2HB GLN 61 -5.174 -6.134 -6.134 464 2HB GLN 61 1HB GLN 61 -6.141 -6.149 -6.149 465 1HG GLN 61 2HG GLN 61 -5.660 -3.623 -3.623 466 2HG GLN 61 1HG GLN 61 -5.184 -3.813 -3.813 467 1HE2 GLN 61 2HE2 GLN 61 -8.655 -5.115 -5.115 468 2HE2 GLN 61 1HE2 GLN 61 -7.105 -5.877 -5.877 469 H GLY 62 H GLY 62 -3.700 -8.220 -8.220 470 1HA GLY 62 2HA GLY 62 -2.699 -9.719 -9.719 471 2HA GLY 62 1HA GLY 62 -1.619 -8.400 -8.400 472 H ILE 63 H ILE 63 -1.222 -7.630 -7.630 473 HA ILE 63 HA ILE 63 1.113 -9.041 -9.041 474 HB ILE 63 HB ILE 63 -0.633 -7.381 -7.381 475 1HG1 ILE 63 2HG1 ILE 63 0.226 -5.954 -5.954 476 2HG1 ILE 63 1HG1 ILE 63 1.394 -5.798 -5.798 477 1HG2 ILE 63 2HG2 ILE 63 1.738 -8.968 -8.968 478 2HG2 ILE 63 1HG2 ILE 63 1.864 -7.279 -7.279 479 3HG2 ILE 63 3HG2 ILE 63 0.530 -8.274 -8.274 480 1HD1 ILE 63 1HD1 ILE 63 2.822 -7.454 -7.454 481 2HD1 ILE 63 3HD1 ILE 63 1.682 -7.402 -7.402 482 3HD1 ILE 63 2HD1 ILE 63 2.571 -5.949 -5.949 483 H ALA 64 H ALA 64 1.652 -10.643 -10.643 484 HA ALA 64 HA ALA 64 -0.398 -12.601 -12.601 485 1HB ALA 64 1HB ALA 64 2.465 -12.562 -12.562 486 2HB ALA 64 3HB ALA 64 1.952 -13.410 -13.410 487 3HB ALA 64 2HB ALA 64 1.357 -13.928 -13.928 488 H ASP 65 H ASP 65 -1.399 -13.099 -13.099 489 HA ASP 65 HA ASP 65 -1.431 -11.272 -11.272 490 1HB ASP 65 2HB ASP 65 -3.322 -12.773 -12.773 491 2HB ASP 65 1HB ASP 65 -2.400 -14.138 -14.138 492 H ASP 66 H ASP 66 0.675 -13.864 -13.864 493 HA ASP 66 HA ASP 66 1.425 -14.601 -14.601 494 1HB ASP 66 2HB ASP 66 1.905 -15.690 -15.690 495 2HB ASP 66 1HB ASP 66 3.414 -14.803 -14.803 496 H TYR 67 H TYR 67 2.260 -11.958 -11.958 497 HA TYR 67 HA TYR 67 4.743 -11.176 -11.176 498 1HB TYR 67 2HB TYR 67 2.325 -9.527 -9.527 499 2HB TYR 67 1HB TYR 67 3.892 -8.805 -8.805 500 HD1 TYR 67 HD2 TYR 67 4.057 -12.020 -12.020 501 HD2 TYR 67 HD1 TYR 67 3.620 -7.844 -7.844 502 HE1 TYR 67 HE2 TYR 67 4.703 -12.337 -12.337 503 HE2 TYR 67 HE1 TYR 67 4.259 -8.146 -8.146 504 HH TYR 67 HH TYR 67 5.771 -10.792 -10.792 505 H ASP 68 H ASP 68 5.403 -9.530 -9.530 506 HA ASP 68 HA ASP 68 4.271 -10.002 -10.002 507 1HB ASP 68 2HB ASP 68 6.496 -8.220 -8.220 508 2HB ASP 68 1HB ASP 68 5.996 -8.250 -8.250 509 H LYS 69 H LYS 69 2.123 -9.225 -9.225 510 HA LYS 69 HA LYS 69 1.126 -6.913 -6.913 511 1HB LYS 69 2HB LYS 69 0.159 -8.879 -8.879 512 2HB LYS 69 1HB LYS 69 0.145 -7.510 -7.510 513 1HG LYS 69 2HG LYS 69 -1.195 -6.235 -6.235 514 2HG LYS 69 1HG LYS 69 -1.193 -7.622 -7.622 515 1HD LYS 69 2HD LYS 69 -2.307 -7.630 -7.630 516 2HD LYS 69 1HD LYS 69 -3.267 -7.447 -7.447 517 1HE LYS 69 2HE LYS 69 -2.022 -9.676 -9.676 518 2HE LYS 69 1HE LYS 69 -1.873 -9.844 -9.844 519 1HZ LYS 69 2HZ LYS 69 -4.446 -9.205 -9.205 520 2HZ LYS 69 1HZ LYS 69 -4.228 -10.027 -10.027 521 3HZ LYS 69 3HZ LYS 69 -3.880 -10.799 -10.799 522 H LYS 70 H LYS 70 2.813 -7.250 -7.250 523 HA LYS 70 HA LYS 70 2.403 -4.588 -4.588 524 1HB LYS 70 2HB LYS 70 3.967 -6.903 -6.903 525 2HB LYS 70 1HB LYS 70 4.774 -5.376 -5.376 526 1HG LYS 70 2HG LYS 70 3.583 -5.327 -5.327 527 2HG LYS 70 1HG LYS 70 2.217 -4.885 -4.885 528 1HD LYS 70 2HD LYS 70 1.562 -7.211 -7.211 529 2HD LYS 70 1HD LYS 70 2.978 -7.710 -7.710 530 1HE LYS 70 2HE LYS 70 2.145 -6.805 -6.805 531 2HE LYS 70 1HE LYS 70 0.982 -5.786 -5.786 532 1HZ LYS 70 1HZ LYS 70 0.470 -8.493 -8.493 533 2HZ LYS 70 3HZ LYS 70 0.561 -8.310 -8.310 534 3HZ LYS 70 2HZ LYS 70 -0.528 -7.376 -7.376 535 H LYS 71 H LYS 71 5.473 -6.056 -6.056 536 HA LYS 71 HA LYS 71 6.806 -3.640 -3.640 537 1HB LYS 71 2HB LYS 71 7.345 -6.418 -6.418 538 2HB LYS 71 1HB LYS 71 7.819 -5.593 -5.593 539 1HG LYS 71 2HG LYS 71 9.162 -4.021 -4.021 540 2HG LYS 71 1HG LYS 71 8.763 -4.982 -4.982 541 1HD LYS 71 2HD LYS 71 10.196 -6.634 -6.634 542 2HD LYS 71 1HD LYS 71 9.833 -6.505 -6.505 543 1HE LYS 71 2HE LYS 71 12.095 -5.859 -5.859 544 2HE LYS 71 1HE LYS 71 11.180 -4.375 -4.375 545 1HZ LYS 71 3HZ LYS 71 11.987 -5.392 -5.392 546 2HZ LYS 71 2HZ LYS 71 12.841 -4.218 -4.218 547 3HZ LYS 71 1HZ LYS 71 11.265 -3.900 -3.900 548 H LEU 72 H LEU 72 4.420 -5.220 -5.220 549 HA LEU 72 HA LEU 72 5.101 -4.248 -4.248 550 1HB LEU 72 2HB LEU 72 3.404 -6.071 -6.071 551 2HB LEU 72 1HB LEU 72 2.276 -4.740 -4.740 552 HG LEU 72 HG LEU 72 3.701 -5.529 -5.529 553 1HD1 LEU 72 1HD1 LEU 72 1.623 -6.817 -6.817 554 2HD1 LEU 72 3HD1 LEU 72 0.759 -5.543 -5.543 555 3HD1 LEU 72 2HD1 LEU 72 1.839 -6.627 -6.627 556 1HD2 LEU 72 1HD2 LEU 72 1.806 -3.281 -3.281 557 2HD2 LEU 72 3HD2 LEU 72 3.427 -3.176 -3.176 558 3HD2 LEU 72 2HD2 LEU 72 2.107 -3.853 -3.853 559 H VAL 73 H VAL 73 2.347 -3.154 -3.154 560 HA VAL 73 HA VAL 73 2.322 -0.627 -0.627 561 HB VAL 73 HB VAL 73 0.238 -1.841 -1.841 562 1HG1 VAL 73 2HG1 VAL 73 1.064 -2.479 -2.479 563 2HG1 VAL 73 1HG1 VAL 73 0.855 -0.798 -0.798 564 3HG1 VAL 73 3HG1 VAL 73 -0.543 -1.751 -1.751 565 1HG2 VAL 73 2HG2 VAL 73 0.690 0.803 0.803 566 2HG2 VAL 73 1HG2 VAL 73 -0.905 0.097 0.097 567 3HG2 VAL 73 3HG2 VAL 73 -0.004 0.769 0.769 568 H LYS 74 H LYS 74 2.945 -1.714 -1.714 569 HA LYS 74 HA LYS 74 3.253 0.683 0.683 570 1HB LYS 74 2HB LYS 74 3.537 -1.737 -1.737 571 2HB LYS 74 1HB LYS 74 5.231 -1.529 -1.529 572 1HG LYS 74 2HG LYS 74 4.889 0.703 0.703 573 2HG LYS 74 1HG LYS 74 3.652 -0.299 -0.299 574 1HD LYS 74 2HD LYS 74 5.660 -2.060 -2.060 575 2HD LYS 74 1HD LYS 74 6.603 -0.569 -0.569 576 1HE LYS 74 2HE LYS 74 4.317 -0.772 -0.772 577 2HE LYS 74 1HE LYS 74 5.710 -1.802 -1.802 578 1HZ LYS 74 2HZ LYS 74 6.295 0.977 0.977 579 2HZ LYS 74 1HZ LYS 74 5.509 0.698 0.698 580 3HZ LYS 74 3HZ LYS 74 6.993 -0.049 -0.049 581 H ALA 75 H ALA 75 5.625 -0.974 -0.974 582 HA ALA 75 HA ALA 75 7.759 0.814 0.814 583 1HB ALA 75 2HB ALA 75 7.154 -1.029 -1.029 584 2HB ALA 75 1HB ALA 75 8.655 -0.117 -0.117 585 3HB ALA 75 3HB ALA 75 8.229 -1.328 -1.328 586 H PHE 76 H PHE 76 4.974 0.914 0.914 587 HA PHE 76 HA PHE 76 5.822 2.859 2.859 588 1HB PHE 76 2HB PHE 76 3.646 1.388 1.388 589 2HB PHE 76 1HB PHE 76 2.983 2.775 2.775 590 HD1 PHE 76 HD1 PHE 76 4.442 1.640 1.640 591 HD2 PHE 76 HD2 PHE 76 2.424 4.775 4.775 592 HE1 PHE 76 HE1 PHE 76 4.006 2.750 2.750 593 HE2 PHE 76 HE2 PHE 76 1.982 5.895 5.895 594 HZ PHE 76 HZ PHE 76 2.774 4.880 4.880 595 H LYS 77 H LYS 77 4.221 3.155 3.155 596 HA LYS 77 HA LYS 77 4.050 5.997 5.997 597 1HB LYS 77 2HB LYS 77 3.986 4.177 4.177 598 2HB LYS 77 1HB LYS 77 3.387 5.828 5.828 599 1HG LYS 77 2HG LYS 77 1.410 5.132 5.132 600 2HG LYS 77 1HG LYS 77 2.151 4.247 4.247 601 1HD LYS 77 2HD LYS 77 1.929 2.277 2.277 602 2HD LYS 77 1HD LYS 77 2.500 2.932 2.932 603 1HE LYS 77 2HE LYS 77 0.399 3.440 3.440 604 2HE LYS 77 1HE LYS 77 -0.206 3.737 3.737 605 1HZ LYS 77 3HZ LYS 77 0.231 1.146 1.146 606 2HZ LYS 77 2HZ LYS 77 -0.052 1.241 1.241 607 3HZ LYS 77 1HZ LYS 77 -1.229 1.777 1.777 608 H LYS 78 H LYS 78 6.668 3.935 3.935 609 HA LYS 78 HA LYS 78 8.142 5.815 5.815 610 1HB LYS 78 2HB LYS 78 8.069 3.179 3.179 611 2HB LYS 78 1HB LYS 78 9.334 3.263 3.263 612 1HG LYS 78 2HG LYS 78 10.692 3.399 3.399 613 2HG LYS 78 1HG LYS 78 10.228 5.101 5.101 614 1HD LYS 78 2HD LYS 78 8.194 3.990 3.990 615 2HD LYS 78 1HD LYS 78 9.556 2.970 2.970 616 1HE LYS 78 2HE LYS 78 9.503 5.984 5.984 617 2HE LYS 78 1HE LYS 78 9.262 4.903 4.903 618 1HZ LYS 78 3HZ LYS 78 11.685 4.481 4.481 619 2HZ LYS 78 2HZ LYS 78 11.621 5.918 5.918 620 3HZ LYS 78 1HZ LYS 78 11.446 4.431 4.431 621 H LYS 79 H LYS 79 7.800 4.811 4.811 622 HA LYS 79 HA LYS 79 10.387 5.933 5.933 623 1HB LYS 79 2HB LYS 79 9.769 3.790 3.790 624 2HB LYS 79 1HB LYS 79 8.299 4.498 4.498 625 1HG LYS 79 2HG LYS 79 9.448 5.720 5.720 626 2HG LYS 79 1HG LYS 79 10.977 5.614 5.614 627 1HD LYS 79 2HD LYS 79 11.088 3.217 3.217 628 2HD LYS 79 1HD LYS 79 9.561 3.328 3.328 629 1HE LYS 79 2HE LYS 79 11.326 3.370 3.370 630 2HE LYS 79 1HE LYS 79 10.646 4.994 4.994 631 1HZ LYS 79 2HZ LYS 79 12.589 5.171 5.171 632 2HZ LYS 79 1HZ LYS 79 13.283 4.045 4.045 633 3HZ LYS 79 3HZ LYS 79 12.801 5.560 5.560 634 H PHE 80 H PHE 80 6.941 6.348 6.348 635 HA PHE 80 HA PHE 80 7.606 8.981 8.981 636 1HB PHE 80 2HB PHE 80 4.937 7.678 7.678 637 2HB PHE 80 1HB PHE 80 5.782 8.811 8.811 638 HD1 PHE 80 HD1 PHE 80 5.654 5.309 5.309 639 HD2 PHE 80 HD2 PHE 80 7.250 8.053 8.053 640 HE1 PHE 80 HE1 PHE 80 6.466 3.426 3.426 641 HE2 PHE 80 HE2 PHE 80 8.066 6.176 6.176 642 HZ PHE 80 HZ PHE 80 7.674 3.859 3.859 643 H ALA 81 H ALA 81 6.101 7.469 7.469 644 HA ALA 81 HA ALA 81 5.088 8.324 8.324 645 1HB ALA 81 3HB ALA 81 6.711 10.334 10.334 646 2HB ALA 81 2HB ALA 81 5.146 11.135 11.135 647 3HB ALA 81 1HB ALA 81 5.633 10.416 10.416 648 H CYS 82 H CYS 82 3.543 7.441 7.441 649 HA CYS 82 HA CYS 82 1.269 9.311 9.311 650 1HB CYS 82 2HB CYS 82 2.303 7.346 7.346 651 2HB CYS 82 1HB CYS 82 0.556 7.543 7.543 652 HG CYS 82 HG CYS 82 0.727 9.794 9.794 653 H ASN 83 H ASN 83 -0.910 8.205 8.205 654 HA ASN 83 HA ASN 83 -1.021 6.303 6.303 655 1HB ASN 83 2HB ASN 83 -2.979 8.079 8.079 656 2HB ASN 83 1HB ASN 83 -3.599 6.656 6.656 657 1HD2 ASN 83 2HD2 ASN 83 -2.251 7.847 7.847 658 2HD2 ASN 83 1HD2 ASN 83 -2.100 6.446 6.446 659 H GLY 84 H GLY 84 -0.753 4.225 4.225 660 1HA GLY 84 2HA GLY 84 -2.086 3.199 3.199 661 2HA GLY 84 1HA GLY 84 -0.567 2.565 2.565 662 H THR 85 H THR 85 -3.361 1.436 1.436 663 HA THR 85 HA THR 85 -3.487 -0.011 -0.011 664 HB THR 85 HB THR 85 -5.423 0.978 0.978 665 HG1 THR 85 HG1 THR 85 -6.877 -0.381 -0.381 666 1HG2 THR 85 3HG2 THR 85 -4.908 2.809 2.809 667 2HG2 THR 85 2HG2 THR 85 -5.879 1.942 1.942 668 3HG2 THR 85 1HG2 THR 85 -6.624 2.531 2.531 669 H VAL 86 H VAL 86 -4.864 -2.029 -2.029 670 HA VAL 86 HA VAL 86 -4.467 -3.206 -3.206 671 HB VAL 86 HB VAL 86 -2.964 -4.164 -4.164 672 1HG1 VAL 86 3HG1 VAL 86 -4.679 -3.791 -3.791 673 2HG1 VAL 86 2HG1 VAL 86 -5.358 -5.339 -5.339 674 3HG1 VAL 86 1HG1 VAL 86 -3.689 -5.250 -5.250 675 1HG2 VAL 86 3HG2 VAL 86 -4.382 -5.489 -5.489 676 2HG2 VAL 86 2HG2 VAL 86 -3.121 -6.227 -6.227 677 3HG2 VAL 86 1HG2 VAL 86 -4.815 -6.409 -6.409 678 H ILE 87 H ILE 87 -6.362 -3.482 -3.482 679 HA ILE 87 HA ILE 87 -8.682 -4.325 -4.325 680 HB ILE 87 HB ILE 87 -10.124 -3.265 -3.265 681 1HG1 ILE 87 2HG1 ILE 87 -7.553 -2.069 -2.069 682 2HG1 ILE 87 1HG1 ILE 87 -8.458 -3.351 -3.351 683 1HG2 ILE 87 2HG2 ILE 87 -9.278 -2.123 -2.123 684 2HG2 ILE 87 1HG2 ILE 87 -8.209 -1.210 -1.210 685 3HG2 ILE 87 3HG2 ILE 87 -9.959 -1.096 -1.096 686 1HD1 ILE 87 1HD1 ILE 87 -10.382 -1.830 -1.830 687 2HD1 ILE 87 3HD1 ILE 87 -9.410 -0.548 -0.548 688 3HD1 ILE 87 2HD1 ILE 87 -8.949 -1.235 -1.235 689 H GLU 88 H GLU 88 -10.020 -5.929 -5.929 690 HA GLU 88 HA GLU 88 -8.854 -7.525 -7.525 691 1HB GLU 88 2HB GLU 88 -9.409 -8.408 -8.408 692 2HB GLU 88 1HB GLU 88 -11.040 -8.539 -8.539 693 1HG GLU 88 2HG GLU 88 -9.952 -9.841 -9.841 694 2HG GLU 88 1HG GLU 88 -8.561 -9.978 -9.978 695 H HIS 89 H HIS 89 -9.792 -5.967 -5.967 696 HA HIS 89 HA HIS 89 -12.503 -5.456 -5.456 697 1HB HIS 89 2HB HIS 89 -10.319 -4.622 -4.622 698 2HB HIS 89 1HB HIS 89 -10.871 -5.816 -5.816 699 HD1 HIS 89 HD1 HIS 89 -12.675 -5.102 -5.102 700 HD2 HIS 89 HD2 HIS 89 -12.316 -2.556 -2.556 701 HE1 HIS 89 HE1 HIS 89 -14.228 -3.182 -3.182 702 HE2 HIS 89 HE2 HIS 89 -13.947 -1.620 -1.620 703 HA PRO 90 HA PRO 90 -14.041 -9.411 -9.411 704 1HB PRO 90 2HB PRO 90 -16.543 -8.696 -8.696 705 2HB PRO 90 1HB PRO 90 -15.986 -8.704 -8.704 706 1HG PRO 90 2HG PRO 90 -16.299 -6.401 -6.401 707 2HG PRO 90 1HG PRO 90 -16.715 -6.505 -6.505 708 1HD PRO 90 2HD PRO 90 -14.417 -5.343 -5.343 709 2HD PRO 90 1HD PRO 90 -14.582 -6.022 -6.022 710 H GLU 91 H GLU 91 -14.007 -6.586 -6.586 711 HA GLU 91 HA GLU 91 -14.791 -8.000 -8.000 712 1HB GLU 91 2HB GLU 91 -14.372 -5.244 -5.244 713 2HB GLU 91 1HB GLU 91 -13.637 -5.583 -5.583 714 1HG GLU 91 2HG GLU 91 -16.430 -6.473 -6.473 715 2HG GLU 91 1HG GLU 91 -16.111 -4.772 -4.772 716 H TYR 92 H TYR 92 -11.845 -7.218 -7.218 717 HA TYR 92 HA TYR 92 -10.308 -8.274 -8.274 718 1HB TYR 92 2HB TYR 92 -9.023 -6.623 -6.623 719 2HB TYR 92 1HB TYR 92 -8.548 -6.832 -6.832 720 HD1 TYR 92 HD2 TYR 92 -11.138 -6.218 -6.218 721 HD2 TYR 92 HD1 TYR 92 -9.169 -4.295 -4.295 722 HE1 TYR 92 HE2 TYR 92 -12.262 -4.110 -4.110 723 HE2 TYR 92 HE1 TYR 92 -10.288 -2.181 -2.181 724 HH TYR 92 HH TYR 92 -11.572 -1.466 -1.466 725 H GLY 93 H GLY 93 -10.319 -8.056 -8.056 726 1HA GLY 93 2HA GLY 93 -10.160 -9.981 -9.981 727 2HA GLY 93 1HA GLY 93 -9.363 -10.831 -10.831 728 H GLU 94 H GLU 94 -8.953 -8.994 -8.994 729 HA GLU 94 HA GLU 94 -7.136 -8.348 -8.348 730 1HB GLU 94 2HB GLU 94 -6.628 -10.839 -10.839 731 2HB GLU 94 1HB GLU 94 -5.386 -10.119 -10.119 732 1HG GLU 94 2HG GLU 94 -5.433 -9.126 -9.126 733 2HG GLU 94 1HG GLU 94 -5.054 -10.839 -10.839 734 H VAL 95 H VAL 95 -7.010 -6.223 -6.223 735 HA VAL 95 HA VAL 95 -4.729 -5.656 -5.656 736 HB VAL 95 HB VAL 95 -5.915 -3.940 -3.940 737 1HG1 VAL 95 2HG1 VAL 95 -5.943 -6.476 -6.476 738 2HG1 VAL 95 1HG1 VAL 95 -7.669 -6.339 -6.339 739 3HG1 VAL 95 3HG1 VAL 95 -6.930 -5.337 -5.337 740 1HG2 VAL 95 1HG2 VAL 95 -8.268 -4.785 -4.785 741 2HG2 VAL 95 3HG2 VAL 95 -7.572 -3.175 -3.175 742 3HG2 VAL 95 2HG2 VAL 95 -8.449 -3.909 -3.909 743 H ILE 96 H ILE 96 -3.457 -4.131 -4.131 744 HA ILE 96 HA ILE 96 -4.103 -2.937 -2.937 745 HB ILE 96 HB ILE 96 -1.792 -2.783 -2.783 746 1HG1 ILE 96 2HG1 ILE 96 -2.288 -4.427 -4.427 747 2HG1 ILE 96 1HG1 ILE 96 -0.652 -3.866 -3.866 748 1HG2 ILE 96 2HG2 ILE 96 -2.335 -0.778 -0.778 749 2HG2 ILE 96 1HG2 ILE 96 -0.711 -1.126 -1.126 750 3HG2 ILE 96 3HG2 ILE 96 -1.929 -0.480 -0.480 751 1HD1 ILE 96 1HD1 ILE 96 -0.932 -2.148 -2.148 752 2HD1 ILE 96 3HD1 ILE 96 -2.536 -2.791 -2.791 753 3HD1 ILE 96 2HD1 ILE 96 -1.108 -3.788 -3.788 754 H GLN 97 H GLN 97 -4.295 -0.674 -0.674 755 HA GLN 97 HA GLN 97 -5.241 0.938 0.938 756 1HB GLN 97 2HB GLN 97 -6.855 -0.080 -0.080 757 2HB GLN 97 1HB GLN 97 -6.533 1.559 1.559 758 1HG GLN 97 2HG GLN 97 -7.165 2.167 2.167 759 2HG GLN 97 1HG GLN 97 -7.997 0.615 0.615 760 1HE2 GLN 97 2HE2 GLN 97 -10.458 3.110 3.110 761 2HE2 GLN 97 1HE2 GLN 97 -9.571 2.658 2.658 762 H LEU 98 H LEU 98 -3.695 2.427 2.427 763 HA LEU 98 HA LEU 98 -2.467 3.667 3.667 764 1HB LEU 98 2HB LEU 98 -1.869 4.021 4.021 765 2HB LEU 98 1HB LEU 98 -0.952 4.721 4.721 766 HG LEU 98 HG LEU 98 -1.261 1.755 1.755 767 1HD1 LEU 98 3HD1 LEU 98 -0.370 3.093 3.093 768 2HD1 LEU 98 2HD1 LEU 98 1.124 2.761 2.761 769 3HD1 LEU 98 1HD1 LEU 98 0.046 1.436 1.436 770 1HD2 LEU 98 3HD2 LEU 98 0.256 3.691 3.691 771 2HD2 LEU 98 2HD2 LEU 98 0.105 1.953 1.953 772 3HD2 LEU 98 1HD2 LEU 98 1.342 2.577 2.577 773 H GLN 99 H GLN 99 -2.328 6.007 6.007 774 HA GLN 99 HA GLN 99 -4.818 7.250 7.250 775 1HB GLN 99 2HB GLN 99 -3.133 7.490 7.490 776 2HB GLN 99 1HB GLN 99 -3.374 9.068 9.068 777 1HG GLN 99 2HG GLN 99 -5.744 7.324 7.324 778 2HG GLN 99 1HG GLN 99 -5.029 8.113 8.113 779 1HE2 GLN 99 2HE2 GLN 99 -7.642 10.340 10.340 780 2HE2 GLN 99 1HE2 GLN 99 -7.545 8.754 8.754 781 H GLY 100 H GLY 100 -4.935 8.978 8.978 782 1HA GLY 100 2HA GLY 100 -4.240 10.675 10.675 783 2HA GLY 100 1HA GLY 100 -2.632 10.540 10.540 784 H ASP 101 H ASP 101 -2.887 10.995 10.995 785 HA ASP 101 HA ASP 101 -2.940 8.636 8.636 786 1HB ASP 101 2HB ASP 101 -1.821 10.106 10.106 787 2HB ASP 101 1HB ASP 101 -3.358 10.700 10.700 788 H GLN 102 H GLN 102 -1.576 7.088 7.088 789 HA GLN 102 HA GLN 102 1.282 7.735 7.735 790 1HB GLN 102 2HB GLN 102 -0.491 5.939 5.939 791 2HB GLN 102 1HB GLN 102 1.011 5.178 5.178 792 1HG GLN 102 2HG GLN 102 0.987 6.252 6.252 793 2HG GLN 102 1HG GLN 102 2.315 6.700 6.700 794 1HE2 GLN 102 2HE2 GLN 102 -0.633 9.508 9.508 795 2HE2 GLN 102 1HE2 GLN 102 -0.997 7.859 7.859 796 H ARG 103 H ARG 103 -0.704 6.807 6.807 797 HA ARG 103 HA ARG 103 0.016 4.362 4.362 798 1HB ARG 103 2HB ARG 103 -0.316 5.426 5.426 799 2HB ARG 103 1HB ARG 103 -1.654 5.555 5.555 800 1HG ARG 103 2HG ARG 103 -1.321 7.818 7.818 801 2HG ARG 103 1HG ARG 103 0.356 7.755 7.755 802 1HD ARG 103 2HD ARG 103 -0.285 8.345 8.345 803 2HD ARG 103 1HD ARG 103 -1.275 6.892 6.892 804 HE ARG 103 HE ARG 103 -3.105 8.224 8.224 805 1HH1 ARG 103 2HH1 ARG 103 -0.394 9.881 9.881 806 2HH1 ARG 103 1HH1 ARG 103 -1.297 11.316 11.316 807 1HH2 ARG 103 1HH2 ARG 103 -4.295 10.112 10.112 808 2HH2 ARG 103 2HH2 ARG 103 -3.512 11.448 11.448 809 H LYS 104 H LYS 104 1.950 7.246 7.246 810 HA LYS 104 HA LYS 104 4.004 6.070 6.070 811 1HB LYS 104 2HB LYS 104 3.819 8.809 8.809 812 2HB LYS 104 1HB LYS 104 5.110 8.275 8.275 813 1HG LYS 104 2HG LYS 104 2.202 8.559 8.559 814 2HG LYS 104 1HG LYS 104 3.520 9.626 9.626 815 1HD LYS 104 2HD LYS 104 3.250 6.706 6.706 816 2HD LYS 104 1HD LYS 104 2.914 8.067 8.067 817 1HE LYS 104 2HE LYS 104 5.431 8.661 8.661 818 2HE LYS 104 1HE LYS 104 5.481 6.898 6.898 819 1HZ LYS 104 2HZ LYS 104 4.354 8.252 8.252 820 2HZ LYS 104 1HZ LYS 104 6.035 8.223 8.223 821 3HZ LYS 104 3HZ LYS 104 5.167 6.772 6.772 822 H ASN 105 H ASN 105 3.266 6.577 6.577 823 HA ASN 105 HA ASN 105 6.046 6.194 6.194 824 1HB ASN 105 2HB ASN 105 3.525 7.013 7.013 825 2HB ASN 105 1HB ASN 105 4.823 6.306 6.306 826 1HD2 ASN 105 2HD2 ASN 105 4.960 10.133 10.133 827 2HD2 ASN 105 1HD2 ASN 105 3.568 9.119 9.119 828 H ILE 106 H ILE 106 2.939 4.516 4.516 829 HA ILE 106 HA ILE 106 3.754 2.386 2.386 830 HB ILE 106 HB ILE 106 1.385 2.931 2.931 831 1HG1 ILE 106 2HG1 ILE 106 0.612 0.651 0.651 832 2HG1 ILE 106 1HG1 ILE 106 2.109 0.076 0.076 833 1HG2 ILE 106 1HG2 ILE 106 1.743 3.235 3.235 834 2HG2 ILE 106 3HG2 ILE 106 1.840 1.480 1.480 835 3HG2 ILE 106 2HG2 ILE 106 0.352 2.238 2.238 836 1HD1 ILE 106 1HD1 ILE 106 2.499 1.563 1.563 837 2HD1 ILE 106 3HD1 ILE 106 1.537 0.098 0.098 838 3HD1 ILE 106 2HD1 ILE 106 3.155 0.009 0.009 839 H CYS 107 H CYS 107 3.580 2.610 2.610 840 HA CYS 107 HA CYS 107 4.594 0.053 0.053 841 1HB CYS 107 2HB CYS 107 4.587 2.658 2.658 842 2HB CYS 107 1HB CYS 107 5.475 1.280 1.280 843 HG CYS 107 HG CYS 107 2.410 1.532 1.532 844 H GLN 108 H GLN 108 6.093 3.092 3.092 845 HA GLN 108 HA GLN 108 8.795 2.294 2.294 846 1HB GLN 108 2HB GLN 108 8.548 4.593 4.593 847 2HB GLN 108 1HB GLN 108 7.383 4.608 4.608 848 1HG GLN 108 2HG GLN 108 9.096 5.523 5.523 849 2HG GLN 108 1HG GLN 108 9.557 3.841 3.841 850 1HE2 GLN 108 2HE2 GLN 108 12.330 3.948 3.948 851 2HE2 GLN 108 1HE2 GLN 108 11.125 2.927 2.927 852 H PHE 109 H PHE 109 6.536 2.172 2.172 853 HA PHE 109 HA PHE 109 8.432 1.498 1.498 854 1HB PHE 109 2HB PHE 109 6.282 2.491 2.491 855 2HB PHE 109 1HB PHE 109 5.432 1.122 1.122 856 HD1 PHE 109 HD2 PHE 109 7.987 1.880 1.880 857 HD2 PHE 109 HD1 PHE 109 4.740 -0.585 -0.585 858 HE1 PHE 109 HE2 PHE 109 8.042 0.736 0.736 859 HE2 PHE 109 HE1 PHE 109 4.790 -1.736 -1.736 860 HZ PHE 109 HZ PHE 109 6.442 -1.073 -1.073 861 H LEU 110 H LEU 110 6.158 -0.349 -0.349 862 HA LEU 110 HA LEU 110 6.597 -2.877 -2.877 863 1HB LEU 110 2HB LEU 110 5.648 -1.838 -1.838 864 2HB LEU 110 1HB LEU 110 6.096 -3.530 -3.530 865 HG LEU 110 HG LEU 110 4.395 -4.019 -4.019 866 1HD1 LEU 110 1HD1 LEU 110 4.755 -2.052 -2.052 867 2HD1 LEU 110 3HD1 LEU 110 3.885 -1.062 -1.062 868 3HD1 LEU 110 2HD1 LEU 110 3.049 -2.361 -2.361 869 1HD2 LEU 110 3HD2 LEU 110 3.726 -3.493 -3.493 870 2HD2 LEU 110 2HD2 LEU 110 2.444 -3.538 -3.538 871 3HD2 LEU 110 1HD2 LEU 110 3.067 -1.988 -1.988 872 H VAL 111 H VAL 111 8.512 -0.991 -0.991 873 HA VAL 111 HA VAL 111 10.271 -3.247 -3.247 874 HB VAL 111 HB VAL 111 10.409 -0.390 -0.390 875 1HG1 VAL 111 2HG1 VAL 111 12.145 -2.756 -2.756 876 2HG1 VAL 111 1HG1 VAL 111 11.813 -1.764 -1.764 877 3HG1 VAL 111 3HG1 VAL 111 12.551 -1.040 -1.040 878 1HG2 VAL 111 3HG2 VAL 111 8.420 -1.828 -1.828 879 2HG2 VAL 111 2HG2 VAL 111 9.370 -1.084 -1.084 880 3HG2 VAL 111 1HG2 VAL 111 9.587 -2.792 -2.792 881 H GLU 112 H GLU 112 10.172 -0.304 -0.304 882 HA GLU 112 HA GLU 112 12.945 -0.148 -0.148 883 1HB GLU 112 2HB GLU 112 10.471 1.014 1.014 884 2HB GLU 112 1HB GLU 112 12.037 1.210 1.210 885 1HG GLU 112 2HG GLU 112 11.979 1.887 1.887 886 2HG GLU 112 1HG GLU 112 10.990 2.914 2.914 887 H ILE 113 H ILE 113 10.213 -1.744 -1.744 888 HA ILE 113 HA ILE 113 11.930 -2.732 -2.732 889 HB ILE 113 HB ILE 113 9.962 -3.453 -3.453 890 1HG1 ILE 113 2HG1 ILE 113 8.534 -2.973 -2.973 891 2HG1 ILE 113 1HG1 ILE 113 8.766 -4.515 -4.515 892 1HG2 ILE 113 3HG2 ILE 113 10.460 -0.907 -0.907 893 2HG2 ILE 113 2HG2 ILE 113 8.935 -0.947 -0.947 894 3HG2 ILE 113 1HG2 ILE 113 8.981 -1.425 -1.425 895 1HD1 ILE 113 3HD1 ILE 113 7.429 -2.722 -2.722 896 2HD1 ILE 113 2HD1 ILE 113 6.599 -2.743 -2.743 897 3HD1 ILE 113 1HD1 ILE 113 6.865 -4.248 -4.248 898 H GLY 114 H GLY 114 10.376 -3.789 -3.789 899 1HA GLY 114 2HA GLY 114 11.085 -5.716 -5.716 900 2HA GLY 114 1HA GLY 114 11.640 -6.417 -6.417 901 H LEU 115 H LEU 115 8.526 -4.890 -4.890 902 HA LEU 115 HA LEU 115 7.184 -7.252 -7.252 903 1HB LEU 115 2HB LEU 115 6.660 -4.598 -4.598 904 2HB LEU 115 1HB LEU 115 5.587 -5.041 -5.041 905 HG LEU 115 HG LEU 115 4.403 -6.591 -6.591 906 1HD1 LEU 115 3HD1 LEU 115 6.655 -6.127 -6.127 907 2HD1 LEU 115 2HD1 LEU 115 5.080 -6.686 -6.686 908 3HD1 LEU 115 1HD1 LEU 115 5.995 -7.649 -7.649 909 1HD2 LEU 115 1HD2 LEU 115 4.288 -3.927 -3.927 910 2HD2 LEU 115 3HD2 LEU 115 3.232 -5.053 -5.053 911 3HD2 LEU 115 2HD2 LEU 115 4.664 -4.403 -4.403 912 H ALA 116 H ALA 116 6.458 -5.238 -5.238 913 HA ALA 116 HA ALA 116 5.453 -7.592 -7.592 914 1HB ALA 116 3HB ALA 116 4.246 -5.355 -5.355 915 2HB ALA 116 2HB ALA 116 5.481 -4.778 -4.778 916 3HB ALA 116 1HB ALA 116 4.428 -6.114 -6.114 917 H LYS 117 H LYS 117 5.957 -6.855 -6.855 918 HA LYS 117 HA LYS 117 8.897 -6.929 -6.929 919 1HB LYS 117 2HB LYS 117 6.888 -8.800 -8.800 920 2HB LYS 117 1HB LYS 117 8.153 -8.323 -8.323 921 1HG LYS 117 2HG LYS 117 8.830 -9.294 -9.294 922 2HG LYS 117 1HG LYS 117 8.495 -10.426 -10.426 923 1HD LYS 117 2HD LYS 117 10.685 -10.237 -10.237 924 2HD LYS 117 1HD LYS 117 10.240 -8.696 -8.696 925 1HE LYS 117 2HE LYS 117 11.323 -7.531 -7.531 926 2HE LYS 117 1HE LYS 117 10.606 -8.476 -8.476 927 1HZ LYS 117 2HZ LYS 117 12.888 -9.422 -9.422 928 2HZ LYS 117 1HZ LYS 117 13.071 -8.621 -8.621 929 3HZ LYS 117 3HZ LYS 117 12.286 -10.119 -10.119 930 H ASP 118 H ASP 118 9.835 -5.830 -5.830 931 HA ASP 118 HA ASP 118 8.604 -3.531 -3.531 932 1HB ASP 118 2HB ASP 118 10.756 -4.959 -4.959 933 2HB ASP 118 1HB ASP 118 10.444 -3.227 -3.227 934 H ASP 119 H ASP 119 8.505 -6.750 -6.750 935 HA ASP 119 HA ASP 119 7.339 -5.947 -5.947 936 1HB ASP 119 2HB ASP 119 8.601 -8.241 -8.241 937 2HB ASP 119 1HB ASP 119 6.919 -8.735 -8.735 938 H GLN 120 H GLN 120 6.240 -6.780 -6.780 939 HA GLN 120 HA GLN 120 3.506 -7.243 -7.243 940 1HB GLN 120 2HB GLN 120 4.716 -7.010 -7.010 941 2HB GLN 120 1HB GLN 120 3.062 -7.490 -7.490 942 1HG GLN 120 2HG GLN 120 3.885 -9.464 -9.464 943 2HG GLN 120 1HG GLN 120 5.542 -8.985 -8.985 944 1HE2 GLN 120 2HE2 GLN 120 3.188 -10.007 -10.007 945 2HE2 GLN 120 1HE2 GLN 120 2.557 -9.054 -9.054 946 H LEU 121 H LEU 121 5.424 -4.559 -4.559 947 HA LEU 121 HA LEU 121 3.859 -2.814 -2.814 948 1HB LEU 121 2HB LEU 121 5.696 -2.350 -2.350 949 2HB LEU 121 1HB LEU 121 4.888 -1.022 -1.022 950 HG LEU 121 HG LEU 121 6.673 -2.978 -2.978 951 1HD1 LEU 121 1HD1 LEU 121 7.329 -0.388 -0.388 952 2HD1 LEU 121 3HD1 LEU 121 8.306 -1.026 -1.026 953 3HD1 LEU 121 2HD1 LEU 121 8.123 -1.955 -1.955 954 1HD2 LEU 121 2HD2 LEU 121 4.883 -0.998 -0.998 955 2HD2 LEU 121 1HD2 LEU 121 6.063 -1.901 -1.901 956 3HD2 LEU 121 3HD2 LEU 121 6.505 -0.351 -0.351 957 H LYS 122 H LYS 122 1.672 -3.044 -3.044 958 HA LYS 122 HA LYS 122 0.709 -2.186 -2.186 959 1HB LYS 122 2HB LYS 122 -0.226 -4.241 -4.241 960 2HB LYS 122 1HB LYS 122 -1.482 -3.303 -3.303 961 1HG LYS 122 2HG LYS 122 0.713 -4.730 -4.730 962 2HG LYS 122 1HG LYS 122 -0.868 -5.438 -5.438 963 1HD LYS 122 2HD LYS 122 -1.856 -4.265 -4.265 964 2HD LYS 122 1HD LYS 122 -1.019 -2.776 -2.776 965 1HE LYS 122 2HE LYS 122 0.943 -3.459 -3.459 966 2HE LYS 122 1HE LYS 122 0.236 -5.041 -5.041 967 1HZ LYS 122 1HZ LYS 122 -0.902 -2.474 -2.474 968 2HZ LYS 122 3HZ LYS 122 0.102 -3.475 -3.475 969 3HZ LYS 122 2HZ LYS 122 -1.413 -4.031 -4.031 970 H VAL 123 H VAL 123 0.885 0.032 0.032 971 HA VAL 123 HA VAL 123 -0.755 0.998 0.998 972 HB VAL 123 HB VAL 123 1.472 1.980 1.980 973 1HG1 VAL 123 2HG1 VAL 123 0.924 1.868 1.868 974 2HG1 VAL 123 1HG1 VAL 123 0.750 3.589 3.589 975 3HG1 VAL 123 3HG1 VAL 123 2.258 2.759 2.759 976 1HG2 VAL 123 2HG2 VAL 123 -0.414 3.283 3.283 977 2HG2 VAL 123 1HG2 VAL 123 0.848 4.276 4.276 978 3HG2 VAL 123 3HG2 VAL 123 -0.672 4.012 4.012 979 H HIS 124 H HIS 124 -2.802 1.618 1.618 980 HA HIS 124 HA HIS 124 -3.639 2.570 2.570 981 1HB HIS 124 2HB HIS 124 -5.305 0.837 0.837 982 2HB HIS 124 1HB HIS 124 -5.753 1.407 1.407 983 HD1 HIS 124 HD1 HIS 124 -5.094 -0.031 -0.031 984 HD2 HIS 124 HD2 HIS 124 -3.139 -1.094 -1.094 985 HE1 HIS 124 HE1 HIS 124 -3.861 -2.156 -2.156 986 HE2 HIS 124 HE2 HIS 124 -2.807 -2.852 -2.852 987 H GLY 125 H GLY 125 -3.260 4.700 4.700 988 1HA GLY 125 2HA GLY 125 -4.642 5.662 5.662 989 2HA GLY 125 1HA GLY 125 -4.006 6.653 6.653 990 H PHE 126 HN PHE 126 -6.744 5.938 5.938 991 HA PHE 126 HA PHE 126 -8.766 5.445 5.445 992 1HB PHE 126 2HB PHE 126 -10.247 6.382 6.382 993 2HB PHE 126 1HB PHE 126 -8.860 5.919 5.919 994 HD1 PHE 126 HD2 PHE 126 -6.998 7.900 7.900 995 HD2 PHE 126 HD1 PHE 126 -11.189 8.396 8.396 996 HE1 PHE 126 HE2 PHE 126 -6.830 10.206 10.206 997 HE2 PHE 126 HE1 PHE 126 -11.030 10.702 10.702 998 HZ PHE 126 HZ PHE 126 -8.850 11.610 11.610 Start of MODEL 2 1 1H MET 1 1H MET 1 -2.210 18.116 18.116 2 2H MET 1 3H MET 1 -0.954 18.862 18.862 3 3H MET 1 2H MET 1 -2.539 18.779 18.779 4 HA MET 1 HA MET 1 -1.384 17.151 17.151 5 1HB MET 1 2HB MET 1 0.087 15.576 15.576 6 2HB MET 1 1HB MET 1 0.579 17.230 17.230 7 1HG MET 1 2HG MET 1 -0.235 17.152 17.152 8 2HG MET 1 1HG MET 1 -1.188 15.703 15.703 9 1HE MET 1 3HE MET 1 2.317 16.797 16.797 10 2HE MET 1 2HE MET 1 2.640 16.950 16.950 11 3HE MET 1 1HE MET 1 3.394 15.653 15.653 12 H ARG 2 H ARG 2 -3.996 17.429 17.429 13 HA ARG 2 HA ARG 2 -4.754 14.913 14.913 14 1HB ARG 2 2HB ARG 2 -5.885 17.368 17.368 15 2HB ARG 2 1HB ARG 2 -6.833 16.605 16.605 16 1HG ARG 2 2HG ARG 2 -6.503 15.612 15.612 17 2HG ARG 2 1HG ARG 2 -7.938 16.377 16.377 18 1HD ARG 2 2HD ARG 2 -8.111 14.519 14.519 19 2HD ARG 2 1HD ARG 2 -6.731 13.745 13.745 20 HE ARG 2 HE ARG 2 -8.112 13.049 13.049 21 1HH1 ARG 2 2HH1 ARG 2 -9.730 15.546 15.546 22 2HH1 ARG 2 1HH1 ARG 2 -11.245 15.330 15.330 23 1HH2 ARG 2 1HH2 ARG 2 -10.104 12.764 12.764 24 2HH2 ARG 2 2HH2 ARG 2 -11.458 13.752 13.752 25 H GLY 3 H GLY 3 -4.763 16.321 16.321 26 1HA GLY 3 2HA GLY 3 -5.918 13.816 13.816 27 2HA GLY 3 1HA GLY 3 -5.982 15.369 15.369 28 H SER 4 H SER 4 -3.772 12.819 12.819 29 HA SER 4 HA SER 4 -1.584 13.765 13.765 30 1HB SER 4 2HB SER 4 -1.459 10.931 10.931 31 2HB SER 4 1HB SER 4 -0.402 12.249 12.249 32 HG SER 4 HG SER 4 -2.389 11.023 11.023 33 H HIS 5 H HIS 5 -0.536 12.279 12.279 34 HA HIS 5 HA HIS 5 -0.575 11.304 11.304 35 1HB HIS 5 2HB HIS 5 -1.671 9.478 9.478 36 2HB HIS 5 1HB HIS 5 -3.203 10.040 10.040 37 HD1 HIS 5 HD1 HIS 5 -0.042 8.279 8.279 38 HD2 HIS 5 HD2 HIS 5 -3.693 9.333 9.333 39 HE1 HIS 5 HE1 HIS 5 -0.172 7.017 7.017 40 HE2 HIS 5 HE2 HIS 5 -2.345 7.747 7.747 41 H HIS 6 H HIS 6 -1.538 11.450 11.450 42 HA HIS 6 HA HIS 6 -3.305 13.747 13.747 43 1HB HIS 6 2HB HIS 6 -1.156 13.303 13.303 44 2HB HIS 6 1HB HIS 6 -2.171 12.212 12.212 45 HD1 HIS 6 HD1 HIS 6 -2.870 13.347 13.347 46 HD2 HIS 6 HD2 HIS 6 -2.801 15.959 15.959 47 HE1 HIS 6 HE1 HIS 6 -3.661 15.556 15.556 48 HE2 HIS 6 HE2 HIS 6 -3.533 17.141 17.141 49 H HIS 7 H HIS 7 -3.177 10.634 10.634 50 HA HIS 7 HA HIS 7 -5.710 9.719 9.719 51 1HB HIS 7 2HB HIS 7 -5.819 11.916 11.916 52 2HB HIS 7 1HB HIS 7 -6.313 10.466 10.466 53 HD1 HIS 7 HD1 HIS 7 -8.080 8.968 8.968 54 HD2 HIS 7 HD2 HIS 7 -7.994 13.119 13.119 55 HE1 HIS 7 HE1 HIS 7 -10.274 9.646 9.646 56 HE2 HIS 7 HE2 HIS 7 -10.161 12.157 12.157 57 H HIS 8 H HIS 8 -3.895 10.116 10.116 58 HA HIS 8 HA HIS 8 -3.029 7.399 7.399 59 1HB HIS 8 2HB HIS 8 -4.265 6.644 6.644 60 2HB HIS 8 1HB HIS 8 -5.366 7.038 7.038 61 HD1 HIS 8 HD1 HIS 8 -4.344 8.129 8.129 62 HD2 HIS 8 HD2 HIS 8 -7.029 9.256 9.256 63 HE1 HIS 8 HE1 HIS 8 -5.905 9.768 9.768 64 HE2 HIS 8 HE2 HIS 8 -7.459 10.510 10.510 65 H HIS 9 H HIS 9 -1.213 7.246 7.246 66 HA HIS 9 HA HIS 9 -0.762 8.637 8.637 67 1HB HIS 9 2HB HIS 9 1.206 9.992 9.992 68 2HB HIS 9 1HB HIS 9 -0.410 10.606 10.606 69 HD1 HIS 9 HD1 HIS 9 2.661 9.378 9.378 70 HD2 HIS 9 HD2 HIS 9 -1.247 10.286 10.286 71 HE1 HIS 9 HE1 HIS 9 2.673 9.523 9.523 72 HE2 HIS 9 HE2 HIS 9 0.317 10.162 10.162 73 H HIS 10 H HIS 10 1.496 8.323 8.323 74 HA HIS 10 HA HIS 10 2.321 5.631 5.631 75 1HB HIS 10 2HB HIS 10 2.395 7.042 7.042 76 2HB HIS 10 1HB HIS 10 3.984 7.504 7.504 77 HD1 HIS 10 HD1 HIS 10 3.403 5.710 5.710 78 HD2 HIS 10 HD2 HIS 10 4.573 4.349 4.349 79 HE1 HIS 10 HE1 HIS 10 4.480 3.474 3.474 80 HE2 HIS 10 HE2 HIS 10 5.102 2.631 2.631 81 H THR 11 H THR 11 3.512 8.842 8.842 82 HA THR 11 HA THR 11 5.041 9.568 9.568 83 HB THR 11 HB THR 11 5.681 6.891 6.891 84 HG1 THR 11 HG1 THR 11 3.674 6.585 6.585 85 1HG2 THR 11 1HG2 THR 11 4.731 9.449 9.449 86 2HG2 THR 11 3HG2 THR 11 5.159 7.980 7.980 87 3HG2 THR 11 2HG2 THR 11 6.387 8.845 8.845 88 H ASP 12 H ASP 12 6.243 6.287 6.287 89 HA ASP 12 HA ASP 12 8.249 7.145 7.145 90 1HB ASP 12 2HB ASP 12 8.925 7.100 7.100 91 2HB ASP 12 1HB ASP 12 10.084 6.321 6.321 92 HA PRO 13 HA PRO 13 8.106 2.783 2.783 93 1HB PRO 13 2HB PRO 13 10.232 2.492 2.492 94 2HB PRO 13 1HB PRO 13 8.760 3.324 3.324 95 1HG PRO 13 2HG PRO 13 11.353 4.478 4.478 96 2HG PRO 13 1HG PRO 13 10.330 4.992 4.992 97 1HD PRO 13 2HD PRO 13 10.329 6.222 6.222 98 2HD PRO 13 1HD PRO 13 8.917 6.184 6.184 99 H MET 14 H MET 14 11.323 4.096 4.096 100 HA MET 14 HA MET 14 12.354 1.600 1.600 101 1HB MET 14 2HB MET 14 13.323 4.440 4.440 102 2HB MET 14 1HB MET 14 14.207 3.045 3.045 103 1HG MET 14 2HG MET 14 13.726 2.364 2.364 104 2HG MET 14 1HG MET 14 13.988 4.104 4.104 105 1HE MET 14 2HE MET 14 15.730 2.037 2.037 106 2HE MET 14 1HE MET 14 17.246 1.553 1.553 107 3HE MET 14 3HE MET 14 15.733 0.781 0.781 108 H SER 15 H SER 15 10.429 4.063 4.063 109 HA SER 15 HA SER 15 11.131 3.346 3.346 110 1HB SER 15 2HB SER 15 9.125 5.280 5.280 111 2HB SER 15 1HB SER 15 9.272 4.980 4.980 112 HG SER 15 HG SER 15 10.536 6.753 6.753 113 H ALA 16 H ALA 16 8.671 2.607 2.607 114 HA ALA 16 HA ALA 16 7.169 1.091 1.091 115 1HB ALA 16 2HB ALA 16 6.157 2.887 2.887 116 2HB ALA 16 1HB ALA 16 6.064 1.469 1.469 117 3HB ALA 16 3HB ALA 16 5.251 1.466 1.466 118 H ILE 17 H ILE 17 9.449 -0.148 -0.148 119 HA ILE 17 HA ILE 17 8.978 -2.015 -2.015 120 HB ILE 17 HB ILE 17 11.301 -1.965 -1.965 121 1HG1 ILE 17 2HG1 ILE 17 11.082 -0.696 -0.696 122 2HG1 ILE 17 1HG1 ILE 17 11.083 0.181 0.181 123 1HG2 ILE 17 2HG2 ILE 17 10.726 -3.399 -3.399 124 2HG2 ILE 17 1HG2 ILE 17 12.387 -3.080 -3.080 125 3HG2 ILE 17 3HG2 ILE 17 11.324 -4.042 -4.042 126 1HD1 ILE 17 1HD1 ILE 17 13.364 -1.626 -1.626 127 2HD1 ILE 17 3HD1 ILE 17 13.266 -0.165 -0.165 128 3HD1 ILE 17 2HD1 ILE 17 13.312 -0.044 -0.044 129 H GLN 18 H GLN 18 8.601 -4.189 -4.189 130 HA GLN 18 HA GLN 18 7.619 -5.018 -5.018 131 1HB GLN 18 2HB GLN 18 7.467 -6.548 -6.548 132 2HB GLN 18 1HB GLN 18 6.524 -6.822 -6.822 133 1HG GLN 18 2HG GLN 18 4.945 -5.508 -5.508 134 2HG GLN 18 1HG GLN 18 6.071 -4.152 -4.152 135 1HE2 GLN 18 2HE2 GLN 18 5.653 -6.201 -6.201 136 2HE2 GLN 18 1HE2 GLN 18 5.546 -7.031 -7.031 137 H ASN 19 H ASN 19 9.271 -5.657 -5.657 138 HA ASN 19 HA ASN 19 11.166 -7.623 -7.623 139 1HB ASN 19 2HB ASN 19 11.449 -5.426 -5.426 140 2HB ASN 19 1HB ASN 19 12.387 -6.890 -6.890 141 1HD2 ASN 19 2HD2 ASN 19 13.887 -4.212 -4.212 142 2HD2 ASN 19 1HD2 ASN 19 12.782 -3.969 -3.969 143 H LEU 20 H LEU 20 9.591 -9.308 -9.308 144 HA LEU 20 HA LEU 20 8.723 -11.067 -11.067 145 1HB LEU 20 2HB LEU 20 11.265 -10.611 -10.611 146 2HB LEU 20 1HB LEU 20 10.249 -10.753 -10.753 147 HG LEU 20 HG LEU 20 9.384 -12.930 -12.930 148 1HD1 LEU 20 3HD1 LEU 20 11.762 -12.350 -12.350 149 2HD1 LEU 20 2HD1 LEU 20 11.187 -13.992 -13.992 150 3HD1 LEU 20 1HD1 LEU 20 10.128 -12.805 -12.805 151 1HD2 LEU 20 2HD2 LEU 20 11.179 -12.504 -12.504 152 2HD2 LEU 20 1HD2 LEU 20 10.910 -14.121 -14.121 153 3HD2 LEU 20 3HD2 LEU 20 12.278 -13.159 -13.159 154 H HIS 21 H HIS 21 7.753 -11.696 -11.696 155 HA HIS 21 HA HIS 21 6.113 -11.311 -11.311 156 1HB HIS 21 2HB HIS 21 7.962 -9.016 -9.016 157 2HB HIS 21 1HB HIS 21 6.364 -8.815 -8.815 158 HD1 HIS 21 HD1 HIS 21 5.721 -10.464 -10.464 159 HD2 HIS 21 HD2 HIS 21 9.655 -10.745 -10.745 160 HE1 HIS 21 HE1 HIS 21 6.924 -11.781 -11.781 161 HE2 HIS 21 HE2 HIS 21 9.281 -12.017 -12.017 162 H SER 22 H SER 22 4.487 -11.380 -11.380 163 HA SER 22 HA SER 22 3.605 -9.012 -9.012 164 1HB SER 22 2HB SER 22 2.204 -11.671 -11.671 165 2HB SER 22 1HB SER 22 1.712 -10.402 -10.402 166 HG SER 22 HG SER 22 3.009 -11.376 -11.376 167 H PHE 23 H PHE 23 1.759 -11.088 -11.088 168 HA PHE 23 HA PHE 23 0.173 -10.609 -10.609 169 1HB PHE 23 2HB PHE 23 2.072 -9.573 -9.573 170 2HB PHE 23 1HB PHE 23 1.785 -8.065 -8.065 171 HD1 PHE 23 HD2 PHE 23 -0.578 -10.398 -10.398 172 HD2 PHE 23 HD1 PHE 23 1.138 -6.506 -6.506 173 HE1 PHE 23 HE2 PHE 23 -2.109 -9.673 -9.673 174 HE2 PHE 23 HE1 PHE 23 -0.388 -5.774 -5.774 175 HZ PHE 23 HZ PHE 23 -2.015 -7.358 -7.358 176 H ASP 24 H ASP 24 -1.755 -10.392 -10.392 177 HA ASP 24 HA ASP 24 -2.494 -8.438 -8.438 178 1HB ASP 24 2HB ASP 24 -3.954 -10.378 -10.378 179 2HB ASP 24 1HB ASP 24 -4.893 -9.071 -9.071 180 HA PRO 25 HA PRO 25 -2.491 -4.892 -4.892 181 1HB PRO 25 2HB PRO 25 -3.787 -3.701 -3.701 182 2HB PRO 25 1HB PRO 25 -2.440 -3.094 -3.094 183 1HG PRO 25 2HG PRO 25 -2.014 -4.176 -4.176 184 2HG PRO 25 1HG PRO 25 -0.892 -4.462 -4.462 185 1HD PRO 25 2HD PRO 25 -2.955 -6.273 -6.273 186 2HD PRO 25 1HD PRO 25 -1.355 -6.662 -6.662 187 H PHE 26 H PHE 26 -5.153 -6.242 -6.242 188 HA PHE 26 HA PHE 26 -7.052 -4.975 -4.975 189 1HB PHE 26 2HB PHE 26 -8.709 -5.801 -5.801 190 2HB PHE 26 1HB PHE 26 -7.850 -4.270 -4.270 191 HD1 PHE 26 HD1 PHE 26 -5.740 -4.188 -4.188 192 HD2 PHE 26 HD2 PHE 26 -8.412 -7.499 -7.499 193 HE1 PHE 26 HE1 PHE 26 -4.762 -4.919 -4.919 194 HE2 PHE 26 HE2 PHE 26 -7.439 -8.236 -8.236 195 HZ PHE 26 HZ PHE 26 -5.610 -6.946 -6.946 196 H ALA 27 H ALA 27 -5.686 -7.148 -7.148 197 HA ALA 27 HA ALA 27 -7.823 -8.962 -8.962 198 1HB ALA 27 3HB ALA 27 -6.779 -9.687 -9.687 199 2HB ALA 27 2HB ALA 27 -5.469 -10.305 -10.305 200 3HB ALA 27 1HB ALA 27 -7.113 -10.903 -10.903 201 H ASP 28 H ASP 28 -7.431 -8.478 -8.478 202 HA ASP 28 HA ASP 28 -4.975 -9.645 -9.645 203 1HB ASP 28 2HB ASP 28 -4.960 -7.789 -7.789 204 2HB ASP 28 1HB ASP 28 -4.575 -7.281 -7.281 205 H ALA 29 H ALA 29 -8.230 -8.426 -8.426 206 HA ALA 29 HA ALA 29 -8.448 -9.851 -9.851 207 1HB ALA 29 3HB ALA 29 -10.269 -8.222 -8.222 208 2HB ALA 29 2HB ALA 29 -10.989 -9.311 -9.311 209 3HB ALA 29 1HB ALA 29 -9.861 -8.060 -8.060 210 H SER 30 H SER 30 -8.974 -11.909 -11.909 211 HA SER 30 HA SER 30 -9.611 -14.062 -14.062 212 1HB SER 30 2HB SER 30 -11.620 -12.457 -12.457 213 2HB SER 30 1HB SER 30 -11.548 -14.174 -14.174 214 HG SER 30 HG SER 30 -11.897 -14.646 -14.646 215 H LYS 31 H LYS 31 -7.726 -14.863 -14.863 216 HA LYS 31 HA LYS 31 -7.148 -14.584 -14.584 217 1HB LYS 31 2HB LYS 31 -5.784 -16.400 -16.400 218 2HB LYS 31 1HB LYS 31 -5.144 -15.823 -15.823 219 1HG LYS 31 2HG LYS 31 -5.908 -13.791 -13.791 220 2HG LYS 31 1HG LYS 31 -4.456 -14.748 -14.748 221 1HD LYS 31 2HD LYS 31 -4.123 -14.074 -14.074 222 2HD LYS 31 1HD LYS 31 -4.961 -12.650 -12.650 223 1HE LYS 31 2HE LYS 31 -3.135 -13.066 -13.066 224 2HE LYS 31 1HE LYS 31 -2.246 -13.642 -13.642 225 1HZ LYS 31 1HZ LYS 31 -3.631 -11.115 -11.115 226 2HZ LYS 31 3HZ LYS 31 -2.334 -11.091 -11.091 227 3HZ LYS 31 2HZ LYS 31 -2.087 -11.582 -11.582 228 H GLY 32 H GLY 32 -9.206 -15.555 -15.555 229 1HA GLY 32 2HA GLY 32 -10.372 -17.287 -17.287 230 2HA GLY 32 1HA GLY 32 -8.855 -18.174 -18.174 231 H ASP 33 H ASP 33 -11.772 -17.442 -17.442 232 HA ASP 33 HA ASP 33 -12.873 -18.554 -18.554 233 1HB ASP 33 2HB ASP 33 -12.600 -20.383 -20.383 234 2HB ASP 33 1HB ASP 33 -11.282 -20.996 -20.996 235 H ASP 34 H ASP 34 -10.299 -17.278 -17.278 236 HA ASP 34 HA ASP 34 -8.833 -17.044 -17.044 237 1HB ASP 34 2HB ASP 34 -11.266 -18.097 -18.097 238 2HB ASP 34 1HB ASP 34 -9.888 -18.726 -18.726 239 H LEU 35 H LEU 35 -7.177 -18.165 -18.165 240 HA LEU 35 HA LEU 35 -6.818 -20.998 -20.998 241 1HB LEU 35 2HB LEU 35 -6.220 -19.473 -19.473 242 2HB LEU 35 1HB LEU 35 -4.670 -19.480 -19.480 243 HG LEU 35 HG LEU 35 -4.760 -21.982 -21.982 244 1HD1 LEU 35 3HD1 LEU 35 -7.383 -21.734 -21.734 245 2HD1 LEU 35 2HD1 LEU 35 -6.792 -21.961 -21.961 246 3HD1 LEU 35 1HD1 LEU 35 -6.450 -23.174 -23.174 247 1HD2 LEU 35 2HD2 LEU 35 -3.467 -20.762 -20.762 248 2HD2 LEU 35 1HD2 LEU 35 -4.179 -22.218 -22.218 249 3HD2 LEU 35 3HD2 LEU 35 -4.893 -20.640 -20.640 250 H LEU 36 H LEU 36 -5.402 -21.858 -21.858 251 HA LEU 36 HA LEU 36 -3.914 -22.022 -22.022 252 1HB LEU 36 2HB LEU 36 -2.826 -19.857 -19.857 253 2HB LEU 36 1HB LEU 36 -2.224 -19.905 -19.905 254 HG LEU 36 HG LEU 36 -1.542 -22.268 -22.268 255 1HD1 LEU 36 1HD1 LEU 36 -2.873 -21.770 -21.770 256 2HD1 LEU 36 3HD1 LEU 36 -1.351 -22.660 -22.660 257 3HD1 LEU 36 2HD1 LEU 36 -2.685 -23.266 -23.266 258 1HD2 LEU 36 3HD2 LEU 36 -0.440 -20.100 -20.100 259 2HD2 LEU 36 2HD2 LEU 36 0.180 -20.689 -20.689 260 3HD2 LEU 36 1HD2 LEU 36 0.303 -21.696 -21.696 261 HA PRO 37 HA PRO 37 -5.649 -19.584 -19.584 262 1HB PRO 37 2HB PRO 37 -3.922 -20.109 -20.109 263 2HB PRO 37 1HB PRO 37 -5.051 -21.320 -21.320 264 1HG PRO 37 2HG PRO 37 -2.141 -20.962 -20.962 265 2HG PRO 37 1HG PRO 37 -3.040 -22.456 -22.456 266 1HD PRO 37 2HD PRO 37 -2.388 -21.636 -21.636 267 2HD PRO 37 1HD PRO 37 -3.842 -22.590 -22.590 268 H ALA 38 H ALA 38 -2.175 -19.238 -19.238 269 HA ALA 38 HA ALA 38 -2.345 -16.449 -16.449 270 1HB ALA 38 2HB ALA 38 -0.751 -18.062 -18.062 271 2HB ALA 38 1HB ALA 38 0.207 -18.000 -18.000 272 3HB ALA 38 3HB ALA 38 -0.078 -16.528 -16.528 273 H GLY 39 H GLY 39 -1.805 -14.808 -14.808 274 1HA GLY 39 2HA GLY 39 -0.349 -15.300 -15.300 275 2HA GLY 39 1HA GLY 39 -2.045 -14.905 -14.905 276 H THR 40 H THR 40 -0.236 -13.549 -13.549 277 HA THR 40 HA THR 40 0.355 -11.099 -11.099 278 HB THR 40 HB THR 40 -0.940 -9.971 -9.971 279 HG1 THR 40 HG1 THR 40 -1.783 -12.113 -12.113 280 1HG2 THR 40 2HG2 THR 40 -1.317 -10.069 -10.069 281 2HG2 THR 40 1HG2 THR 40 -2.893 -10.386 -10.386 282 3HG2 THR 40 3HG2 THR 40 -2.006 -8.922 -8.922 283 H GLU 41 H GLU 41 1.722 -13.238 -13.238 284 HA GLU 41 HA GLU 41 3.352 -13.468 -13.468 285 1HB GLU 41 2HB GLU 41 3.716 -10.894 -10.894 286 2HB GLU 41 1HB GLU 41 4.393 -10.914 -10.914 287 1HG GLU 41 2HG GLU 41 5.740 -12.845 -12.845 288 2HG GLU 41 1HG GLU 41 5.011 -12.922 -12.922 289 H ASP 42 H ASP 42 0.610 -12.595 -12.595 290 HA ASP 42 HA ASP 42 -0.472 -11.839 -11.839 291 1HB ASP 42 2HB ASP 42 0.992 -13.953 -13.953 292 2HB ASP 42 1HB ASP 42 1.834 -12.787 -12.787 293 H TYR 43 H TYR 43 0.171 -9.593 -9.593 294 HA TYR 43 HA TYR 43 2.233 -8.180 -8.180 295 1HB TYR 43 2HB TYR 43 -0.197 -7.079 -7.079 296 2HB TYR 43 1HB TYR 43 1.246 -6.175 -6.175 297 HD1 TYR 43 HD2 TYR 43 3.144 -8.567 -8.567 298 HD2 TYR 43 HD1 TYR 43 -0.026 -6.498 -6.498 299 HE1 TYR 43 HE2 TYR 43 4.139 -9.101 -9.101 300 HE2 TYR 43 HE1 TYR 43 0.963 -7.036 -7.036 301 HH TYR 43 HH TYR 43 4.029 -7.989 -7.989 302 H ILE 44 H ILE 44 1.596 -6.063 -6.063 303 HA ILE 44 HA ILE 44 -0.390 -6.766 -6.766 304 HB ILE 44 HB ILE 44 2.043 -4.996 -4.996 305 1HG1 ILE 44 2HG1 ILE 44 2.813 -7.233 -7.233 306 2HG1 ILE 44 1HG1 ILE 44 2.726 -6.818 -6.818 307 1HG2 ILE 44 3HG2 ILE 44 0.037 -4.363 -4.363 308 2HG2 ILE 44 2HG2 ILE 44 0.182 -5.932 -5.932 309 3HG2 ILE 44 1HG2 ILE 44 1.488 -4.755 -4.755 310 1HD1 ILE 44 3HD1 ILE 44 0.423 -7.914 -7.914 311 2HD1 ILE 44 2HD1 ILE 44 0.924 -8.601 -8.601 312 3HD1 ILE 44 1HD1 ILE 44 1.840 -8.962 -8.962 313 H HIS 45 H HIS 45 -2.200 -5.791 -5.791 314 HA HIS 45 HA HIS 45 -2.274 -3.276 -3.276 315 1HB HIS 45 2HB HIS 45 -4.091 -5.374 -5.374 316 2HB HIS 45 1HB HIS 45 -4.802 -3.863 -3.863 317 HD1 HIS 45 HD1 HIS 45 -3.687 -5.633 -5.633 318 HD2 HIS 45 HD2 HIS 45 -5.615 -2.123 -2.123 319 HE1 HIS 45 HE1 HIS 45 -4.635 -4.689 -4.689 320 HE2 HIS 45 HE2 HIS 45 -5.888 -2.620 -2.620 321 H ILE 46 H ILE 46 -2.022 -1.350 -1.350 322 HA ILE 46 HA ILE 46 -2.170 -0.903 -0.903 323 HB ILE 46 HB ILE 46 -1.671 1.076 1.076 324 1HG1 ILE 46 2HG1 ILE 46 0.020 -0.733 -0.733 325 2HG1 ILE 46 1HG1 ILE 46 0.680 0.854 0.854 326 1HG2 ILE 46 3HG2 ILE 46 -1.783 1.330 1.330 327 2HG2 ILE 46 2HG2 ILE 46 -0.524 2.224 2.224 328 3HG2 ILE 46 1HG2 ILE 46 -2.220 2.488 2.488 329 1HD1 ILE 46 2HD1 ILE 46 0.044 0.081 0.081 330 2HD1 ILE 46 1HD1 ILE 46 0.286 -1.505 -1.505 331 3HD1 ILE 46 3HD1 ILE 46 1.587 -0.314 -0.314 332 H ARG 47 H ARG 47 -3.405 1.624 1.624 333 HA ARG 47 HA ARG 47 -5.500 2.442 2.442 334 1HB ARG 47 2HB ARG 47 -6.103 -0.164 -0.164 335 2HB ARG 47 1HB ARG 47 -6.958 0.628 0.628 336 1HG ARG 47 2HG ARG 47 -7.317 1.866 1.866 337 2HG ARG 47 1HG ARG 47 -7.974 0.236 0.236 338 1HD ARG 47 2HD ARG 47 -8.790 1.419 1.419 339 2HD ARG 47 1HD ARG 47 -8.869 2.761 2.761 340 HE ARG 47 HE ARG 47 -10.097 0.332 0.332 341 1HH1 ARG 47 2HH1 ARG 47 -10.578 3.294 3.294 342 2HH1 ARG 47 1HH1 ARG 47 -12.290 3.317 3.317 343 1HH2 ARG 47 1HH2 ARG 47 -12.349 0.362 0.362 344 2HH2 ARG 47 2HH2 ARG 47 -13.296 1.652 1.652 345 H ILE 48 H ILE 48 -6.187 4.231 4.231 346 HA ILE 48 HA ILE 48 -5.900 4.597 4.597 347 HB ILE 48 HB ILE 48 -5.946 6.537 6.537 348 1HG1 ILE 48 2HG1 ILE 48 -4.005 6.170 6.170 349 2HG1 ILE 48 1HG1 ILE 48 -3.791 5.512 5.512 350 1HG2 ILE 48 1HG2 ILE 48 -6.287 7.193 7.193 351 2HG2 ILE 48 3HG2 ILE 48 -5.854 8.370 8.370 352 3HG2 ILE 48 2HG2 ILE 48 -7.409 7.542 7.542 353 1HD1 ILE 48 1HD1 ILE 48 -4.095 8.448 8.448 354 2HD1 ILE 48 3HD1 ILE 48 -2.536 7.624 7.624 355 3HD1 ILE 48 2HD1 ILE 48 -3.562 7.673 7.673 356 H GLN 49 H GLN 49 -7.574 5.788 5.788 357 HA GLN 49 HA GLN 49 -10.206 5.728 5.728 358 1HB GLN 49 2HB GLN 49 -11.239 4.798 4.798 359 2HB GLN 49 1HB GLN 49 -9.997 3.709 3.709 360 1HG GLN 49 2HG GLN 49 -9.014 3.714 3.714 361 2HG GLN 49 1HG GLN 49 -8.800 5.462 5.462 362 1HE2 GLN 49 1HE2 GLN 49 -10.719 2.866 2.866 363 2HE2 GLN 49 2HE2 GLN 49 -11.667 3.812 3.812 364 H GLN 50 H GLN 50 -9.811 8.001 8.001 365 HA GLN 50 HA GLN 50 -9.685 9.611 9.611 366 1HB GLN 50 2HB GLN 50 -8.670 9.958 9.958 367 2HB GLN 50 1HB GLN 50 -10.090 10.996 10.996 368 1HG GLN 50 2HG GLN 50 -9.284 12.379 12.379 369 2HG GLN 50 1HG GLN 50 -8.176 11.156 11.156 370 1HE2 GLN 50 2HE2 GLN 50 -6.157 13.674 13.674 371 2HE2 GLN 50 1HE2 GLN 50 -7.203 13.611 13.611 372 H ARG 51 H ARG 51 -11.611 9.531 9.531 373 HA ARG 51 HA ARG 51 -14.123 9.705 9.705 374 1HB ARG 51 2HB ARG 51 -13.204 9.376 9.376 375 2HB ARG 51 1HB ARG 51 -14.699 10.288 10.288 376 1HG ARG 51 2HG ARG 51 -15.858 8.436 8.436 377 2HG ARG 51 1HG ARG 51 -14.799 7.961 7.961 378 1HD ARG 51 2HD ARG 51 -14.867 6.275 6.275 379 2HD ARG 51 1HD ARG 51 -13.251 6.940 6.940 380 HE ARG 51 HE ARG 51 -13.320 7.723 7.723 381 1HH1 ARG 51 2HH1 ARG 51 -16.591 7.103 7.103 382 2HH1 ARG 51 1HH1 ARG 51 -17.284 7.433 7.433 383 1HH2 ARG 51 1HH2 ARG 51 -14.230 8.157 8.157 384 2HH2 ARG 51 2HH2 ARG 51 -15.945 8.032 8.032 385 H ASN 52 H ASN 52 -15.169 11.480 11.480 386 HA ASN 52 HA ASN 52 -15.753 13.659 13.659 387 1HB ASN 52 2HB ASN 52 -16.030 13.382 13.382 388 2HB ASN 52 1HB ASN 52 -14.538 14.312 14.312 389 1HD2 ASN 52 2HD2 ASN 52 -16.078 17.356 17.356 390 2HD2 ASN 52 1HD2 ASN 52 -14.678 16.443 16.443 391 H GLY 53 H GLY 53 -12.981 12.622 12.622 392 1HA GLY 53 2HA GLY 53 -11.070 13.464 13.464 393 2HA GLY 53 1HA GLY 53 -11.899 15.011 15.011 394 H ARG 54 H ARG 54 -11.234 13.231 13.231 395 HA ARG 54 HA ARG 54 -8.986 14.950 14.950 396 1HB ARG 54 2HB ARG 54 -11.384 14.920 14.920 397 2HB ARG 54 1HB ARG 54 -9.933 15.901 15.901 398 1HG ARG 54 2HG ARG 54 -10.610 16.955 16.955 399 2HG ARG 54 1HG ARG 54 -12.175 16.177 16.177 400 1HD ARG 54 2HD ARG 54 -12.374 17.316 17.316 401 2HD ARG 54 1HD ARG 54 -10.839 18.129 18.129 402 HE ARG 54 HE ARG 54 -12.592 18.626 18.626 403 1HH1 ARG 54 2HH1 ARG 54 -12.158 19.439 19.439 404 2HH1 ARG 54 1HH1 ARG 54 -12.954 20.970 20.970 405 1HH2 ARG 54 1HH2 ARG 54 -13.639 20.641 20.641 406 2HH2 ARG 54 2HH2 ARG 54 -13.795 21.653 21.653 407 H LYS 55 H LYS 55 -11.320 12.747 12.747 408 HA LYS 55 HA LYS 55 -9.431 11.658 11.658 409 1HB LYS 55 2HB LYS 55 -12.215 11.338 11.338 410 2HB LYS 55 1HB LYS 55 -11.480 9.744 9.744 411 1HG LYS 55 2HG LYS 55 -12.284 10.319 10.319 412 2HG LYS 55 1HG LYS 55 -10.520 10.368 10.368 413 1HD LYS 55 2HD LYS 55 -11.078 12.929 12.929 414 2HD LYS 55 1HD LYS 55 -12.486 12.538 12.538 415 1HE LYS 55 2HE LYS 55 -10.609 11.536 11.536 416 2HE LYS 55 1HE LYS 55 -9.619 12.734 12.734 417 1HZ LYS 55 2HZ LYS 55 -11.209 14.439 14.439 418 2HZ LYS 55 1HZ LYS 55 -12.146 13.287 13.287 419 3HZ LYS 55 3HZ LYS 55 -10.585 13.646 13.646 420 H THR 56 H THR 56 -7.691 11.349 11.349 421 HA THR 56 HA THR 56 -7.936 9.191 9.191 422 HB THR 56 HB THR 56 -5.224 10.044 10.044 423 HG1 THR 56 HG1 THR 56 -5.631 12.077 12.077 424 1HG2 THR 56 1HG2 THR 56 -6.897 9.725 9.725 425 2HG2 THR 56 3HG2 THR 56 -5.542 10.850 10.850 426 3HG2 THR 56 2HG2 THR 56 -5.259 9.158 9.158 427 H LEU 57 H LEU 57 -7.501 7.116 7.116 428 HA LEU 57 HA LEU 57 -5.814 6.309 6.309 429 1HB LEU 57 2HB LEU 57 -8.632 6.077 6.077 430 2HB LEU 57 1HB LEU 57 -7.987 4.460 4.460 431 HG LEU 57 HG LEU 57 -6.509 5.045 5.045 432 1HD1 LEU 57 1HD1 LEU 57 -7.249 7.473 7.473 433 2HD1 LEU 57 3HD1 LEU 57 -8.786 6.922 6.922 434 3HD1 LEU 57 2HD1 LEU 57 -7.298 6.696 6.696 435 1HD2 LEU 57 3HD2 LEU 57 -9.201 4.020 4.020 436 2HD2 LEU 57 2HD2 LEU 57 -7.877 3.448 3.448 437 3HD2 LEU 57 1HD2 LEU 57 -8.937 4.733 4.733 438 H THR 58 H THR 58 -4.238 5.755 5.755 439 HA THR 58 HA THR 58 -4.677 4.149 4.149 440 HB THR 58 HB THR 58 -2.149 4.444 4.444 441 HG1 THR 58 HG1 THR 58 -3.263 6.390 6.390 442 1HG2 THR 58 2HG2 THR 58 -2.639 3.451 3.451 443 2HG2 THR 58 1HG2 THR 58 -1.090 4.136 4.136 444 3HG2 THR 58 3HG2 THR 58 -1.714 2.700 2.700 445 H THR 59 H THR 59 -5.074 2.027 2.027 446 HA THR 59 HA THR 59 -4.570 0.319 0.319 447 HB THR 59 HB THR 59 -6.184 -1.206 -1.206 448 HG1 THR 59 HG1 THR 59 -6.731 0.227 0.227 449 1HG2 THR 59 2HG2 THR 59 -6.415 0.004 0.004 450 2HG2 THR 59 1HG2 THR 59 -7.786 0.650 0.650 451 3HG2 THR 59 3HG2 THR 59 -7.583 -1.094 -1.094 452 H VAL 60 H VAL 60 -3.893 -1.889 -1.889 453 HA VAL 60 HA VAL 60 -2.341 -2.198 -2.198 454 HB VAL 60 HB VAL 60 -1.464 -3.237 -3.237 455 1HG1 VAL 60 3HG1 VAL 60 -0.659 -4.404 -4.404 456 2HG1 VAL 60 2HG1 VAL 60 0.095 -2.890 -2.890 457 3HG1 VAL 60 1HG1 VAL 60 0.627 -3.695 -3.695 458 1HG2 VAL 60 1HG2 VAL 60 -0.893 -0.647 -0.647 459 2HG2 VAL 60 3HG2 VAL 60 -1.268 -0.952 -0.952 460 3HG2 VAL 60 2HG2 VAL 60 0.317 -1.384 -1.384 461 H GLN 61 H GLN 61 -2.890 -3.922 -3.922 462 HA GLN 61 HA GLN 61 -4.133 -6.194 -6.194 463 1HB GLN 61 2HB GLN 61 -5.350 -4.631 -4.631 464 2HB GLN 61 1HB GLN 61 -4.686 -5.907 -5.907 465 1HG GLN 61 2HG GLN 61 -5.777 -7.382 -7.382 466 2HG GLN 61 1HG GLN 61 -6.858 -5.990 -5.990 467 1HE2 GLN 61 2HE2 GLN 61 -7.425 -6.677 -6.677 468 2HE2 GLN 61 1HE2 GLN 61 -6.526 -5.460 -5.460 469 H GLY 62 H GLY 62 -3.621 -8.280 -8.280 470 1HA GLY 62 2HA GLY 62 -2.478 -9.800 -9.800 471 2HA GLY 62 1HA GLY 62 -1.376 -8.493 -8.493 472 H ILE 63 H ILE 63 -1.096 -7.670 -7.670 473 HA ILE 63 HA ILE 63 1.196 -9.125 -9.125 474 HB ILE 63 HB ILE 63 -0.531 -7.330 -7.330 475 1HG1 ILE 63 2HG1 ILE 63 0.407 -5.958 -5.958 476 2HG1 ILE 63 1HG1 ILE 63 1.616 -5.870 -5.870 477 1HG2 ILE 63 3HG2 ILE 63 1.735 -8.997 -8.997 478 2HG2 ILE 63 2HG2 ILE 63 1.970 -7.296 -7.296 479 3HG2 ILE 63 1HG2 ILE 63 0.565 -8.160 -8.160 480 1HD1 ILE 63 2HD1 ILE 63 2.786 -7.766 -7.766 481 2HD1 ILE 63 1HD1 ILE 63 1.726 -7.342 -7.342 482 3HD1 ILE 63 3HD1 ILE 63 2.847 -6.146 -6.146 483 H ALA 64 H ALA 64 1.634 -10.696 -10.696 484 HA ALA 64 HA ALA 64 -0.555 -12.492 -12.492 485 1HB ALA 64 1HB ALA 64 2.320 -12.687 -12.687 486 2HB ALA 64 3HB ALA 64 1.733 -13.541 -13.541 487 3HB ALA 64 2HB ALA 64 1.085 -13.934 -13.934 488 H ASP 65 H ASP 65 -1.485 -12.835 -12.835 489 HA ASP 65 HA ASP 65 -1.178 -10.971 -10.971 490 1HB ASP 65 2HB ASP 65 -3.238 -12.355 -12.355 491 2HB ASP 65 1HB ASP 65 -2.426 -13.710 -13.710 492 H ASP 66 H ASP 66 0.584 -13.786 -13.786 493 HA ASP 66 HA ASP 66 1.449 -14.449 -14.449 494 1HB ASP 66 2HB ASP 66 2.460 -15.242 -15.242 495 2HB ASP 66 1HB ASP 66 3.153 -15.848 -15.848 496 H TYR 67 H TYR 67 2.223 -11.947 -11.947 497 HA TYR 67 HA TYR 67 4.955 -11.606 -11.606 498 1HB TYR 67 2HB TYR 67 2.662 -9.694 -9.694 499 2HB TYR 67 1HB TYR 67 4.293 -9.075 -9.075 500 HD1 TYR 67 HD1 TYR 67 4.195 -12.188 -12.188 501 HD2 TYR 67 HD2 TYR 67 3.786 -7.979 -7.979 502 HE1 TYR 67 HE1 TYR 67 4.604 -12.412 -12.412 503 HE2 TYR 67 HE2 TYR 67 4.191 -8.188 -8.188 504 HH TYR 67 HH TYR 67 3.927 -10.031 -10.031 505 H ASP 68 H ASP 68 5.733 -9.431 -9.431 506 HA ASP 68 HA ASP 68 6.078 -10.163 -10.163 507 1HB ASP 68 2HB ASP 68 6.215 -7.345 -7.345 508 2HB ASP 68 1HB ASP 68 7.021 -7.956 -7.956 509 H LYS 69 H LYS 69 3.538 -8.300 -8.300 510 HA LYS 69 HA LYS 69 1.541 -7.539 -7.539 511 1HB LYS 69 2HB LYS 69 2.110 -9.827 -9.827 512 2HB LYS 69 1HB LYS 69 1.496 -8.610 -8.610 513 1HG LYS 69 2HG LYS 69 -0.147 -8.595 -8.595 514 2HG LYS 69 1HG LYS 69 0.055 -10.267 -10.267 515 1HD LYS 69 2HD LYS 69 -0.561 -8.176 -8.176 516 2HD LYS 69 1HD LYS 69 -1.858 -8.761 -8.761 517 1HE LYS 69 2HE LYS 69 -0.078 -10.689 -10.689 518 2HE LYS 69 1HE LYS 69 -1.429 -9.928 -9.928 519 1HZ LYS 69 3HZ LYS 69 -2.907 -10.796 -10.796 520 2HZ LYS 69 2HZ LYS 69 -1.600 -11.575 -11.575 521 3HZ LYS 69 1HZ LYS 69 -2.095 -12.039 -12.039 522 H LYS 70 H LYS 70 3.219 -7.763 -7.763 523 HA LYS 70 HA LYS 70 2.430 -5.249 -5.249 524 1HB LYS 70 2HB LYS 70 4.787 -6.978 -6.978 525 2HB LYS 70 1HB LYS 70 4.400 -5.481 -5.481 526 1HG LYS 70 2HG LYS 70 3.165 -6.746 -6.746 527 2HG LYS 70 1HG LYS 70 2.003 -6.809 -6.809 528 1HD LYS 70 2HD LYS 70 2.362 -8.988 -8.988 529 2HD LYS 70 1HD LYS 70 4.112 -8.763 -8.763 530 1HE LYS 70 2HE LYS 70 3.451 -10.261 -10.261 531 2HE LYS 70 1HE LYS 70 4.158 -8.776 -8.776 532 1HZ LYS 70 3HZ LYS 70 1.585 -8.116 -8.116 533 2HZ LYS 70 2HZ LYS 70 1.442 -9.781 -9.781 534 3HZ LYS 70 1HZ LYS 70 2.337 -8.830 -8.830 535 H LYS 71 H LYS 71 5.778 -6.092 -6.092 536 HA LYS 71 HA LYS 71 6.657 -3.452 -3.452 537 1HB LYS 71 2HB LYS 71 7.805 -5.975 -5.975 538 2HB LYS 71 1HB LYS 71 8.035 -5.306 -5.306 539 1HG LYS 71 2HG LYS 71 9.013 -3.270 -3.270 540 2HG LYS 71 1HG LYS 71 8.980 -4.171 -4.171 541 1HD LYS 71 2HD LYS 71 11.117 -4.615 -4.615 542 2HD LYS 71 1HD LYS 71 10.242 -5.988 -5.988 543 1HE LYS 71 2HE LYS 71 10.675 -5.348 -5.348 544 2HE LYS 71 1HE LYS 71 10.233 -3.674 -3.674 545 1HZ LYS 71 1HZ LYS 71 12.823 -4.803 -4.803 546 2HZ LYS 71 3HZ LYS 71 12.621 -4.135 -4.135 547 3HZ LYS 71 2HZ LYS 71 12.386 -3.177 -3.177 548 H LEU 72 H LEU 72 4.778 -5.416 -5.416 549 HA LEU 72 HA LEU 72 5.374 -4.393 -4.393 550 1HB LEU 72 2HB LEU 72 3.762 -6.279 -6.279 551 2HB LEU 72 1HB LEU 72 2.566 -5.012 -5.012 552 HG LEU 72 HG LEU 72 4.001 -5.745 -5.745 553 1HD1 LEU 72 2HD1 LEU 72 1.365 -6.399 -6.399 554 2HD1 LEU 72 1HD1 LEU 72 1.412 -6.033 -6.033 555 3HD1 LEU 72 3HD1 LEU 72 2.398 -7.342 -7.342 556 1HD2 LEU 72 3HD2 LEU 72 2.131 -3.501 -3.501 557 2HD2 LEU 72 2HD2 LEU 72 3.686 -3.431 -3.431 558 3HD2 LEU 72 1HD2 LEU 72 2.280 -4.113 -4.113 559 H VAL 73 H VAL 73 2.566 -3.363 -3.363 560 HA VAL 73 HA VAL 73 2.517 -0.838 -0.838 561 HB VAL 73 HB VAL 73 0.446 -2.227 -2.227 562 1HG1 VAL 73 1HG1 VAL 73 1.035 -2.640 -2.640 563 2HG1 VAL 73 3HG1 VAL 73 0.730 -0.935 -0.935 564 3HG1 VAL 73 2HG1 VAL 73 -0.584 -1.972 -1.972 565 1HG2 VAL 73 3HG2 VAL 73 0.782 0.696 0.696 566 2HG2 VAL 73 2HG2 VAL 73 -0.147 -0.206 -0.206 567 3HG2 VAL 73 1HG2 VAL 73 -0.778 -0.003 -0.003 568 H LYS 74 H LYS 74 3.319 -2.060 -2.060 569 HA LYS 74 HA LYS 74 3.274 0.334 0.334 570 1HB LYS 74 2HB LYS 74 3.550 -1.946 -1.946 571 2HB LYS 74 1HB LYS 74 5.199 -1.966 -1.966 572 1HG LYS 74 2HG LYS 74 4.266 0.227 0.227 573 2HG LYS 74 1HG LYS 74 4.787 -1.329 -1.329 574 1HD LYS 74 2HD LYS 74 6.785 -0.710 -0.710 575 2HD LYS 74 1HD LYS 74 6.363 0.864 0.864 576 1HE LYS 74 2HE LYS 74 8.157 -0.283 -0.283 577 2HE LYS 74 1HE LYS 74 6.731 0.052 0.052 578 1HZ LYS 74 3HZ LYS 74 6.807 -2.540 -2.540 579 2HZ LYS 74 2HZ LYS 74 7.924 -2.311 -2.311 580 3HZ LYS 74 1HZ LYS 74 6.270 -2.126 -2.126 581 H ALA 75 H ALA 75 5.797 -1.130 -1.130 582 HA ALA 75 HA ALA 75 7.832 0.731 0.731 583 1HB ALA 75 1HB ALA 75 8.292 -1.437 -1.437 584 2HB ALA 75 3HB ALA 75 7.443 -0.935 -0.935 585 3HB ALA 75 2HB ALA 75 8.934 -0.123 -0.123 586 H PHE 76 H PHE 76 5.138 0.775 0.775 587 HA PHE 76 HA PHE 76 5.953 2.789 2.789 588 1HB PHE 76 2HB PHE 76 3.800 1.281 1.281 589 2HB PHE 76 1HB PHE 76 3.105 2.646 2.646 590 HD1 PHE 76 HD2 PHE 76 4.588 1.557 1.557 591 HD2 PHE 76 HD1 PHE 76 2.570 4.684 4.684 592 HE1 PHE 76 HE2 PHE 76 4.158 2.690 2.690 593 HE2 PHE 76 HE1 PHE 76 2.138 5.821 5.821 594 HZ PHE 76 HZ PHE 76 2.933 4.821 4.821 595 H LYS 77 H LYS 77 4.287 2.999 2.999 596 HA LYS 77 HA LYS 77 4.032 5.823 5.823 597 1HB LYS 77 2HB LYS 77 4.091 3.997 3.997 598 2HB LYS 77 1HB LYS 77 3.350 5.588 5.588 599 1HG LYS 77 2HG LYS 77 1.943 4.468 4.468 600 2HG LYS 77 1HG LYS 77 2.413 2.978 2.978 601 1HD LYS 77 2HD LYS 77 1.633 4.561 4.561 602 2HD LYS 77 1HD LYS 77 0.521 5.059 5.059 603 1HE LYS 77 2HE LYS 77 -0.379 2.925 2.925 604 2HE LYS 77 1HE LYS 77 1.007 2.157 2.157 605 1HZ LYS 77 3HZ LYS 77 0.279 3.378 3.378 606 2HZ LYS 77 2HZ LYS 77 -1.179 3.688 3.688 607 3HZ LYS 77 1HZ LYS 77 -0.703 2.094 2.094 608 H LYS 78 H LYS 78 6.720 3.812 3.812 609 HA LYS 78 HA LYS 78 8.130 5.768 5.768 610 1HB LYS 78 2HB LYS 78 8.237 3.325 3.325 611 2HB LYS 78 1HB LYS 78 9.097 3.074 3.074 612 1HG LYS 78 2HG LYS 78 10.616 5.012 5.012 613 2HG LYS 78 1HG LYS 78 10.033 4.216 4.216 614 1HD LYS 78 2HD LYS 78 11.202 2.320 2.320 615 2HD LYS 78 1HD LYS 78 10.982 2.435 2.435 616 1HE LYS 78 2HE LYS 78 13.270 2.780 2.780 617 2HE LYS 78 1HE LYS 78 12.613 4.405 4.405 618 1HZ LYS 78 2HZ LYS 78 12.464 4.203 4.203 619 2HZ LYS 78 1HZ LYS 78 13.741 3.121 3.121 620 3HZ LYS 78 3HZ LYS 78 13.876 4.722 4.722 621 H LYS 79 H LYS 79 7.814 4.756 4.756 622 HA LYS 79 HA LYS 79 10.352 6.013 6.013 623 1HB LYS 79 2HB LYS 79 9.874 3.760 3.760 624 2HB LYS 79 1HB LYS 79 8.439 4.393 4.393 625 1HG LYS 79 2HG LYS 79 9.814 5.836 5.836 626 2HG LYS 79 1HG LYS 79 11.267 5.268 5.268 627 1HD LYS 79 2HD LYS 79 10.615 2.938 2.938 628 2HD LYS 79 1HD LYS 79 9.419 3.711 3.711 629 1HE LYS 79 2HE LYS 79 11.354 3.328 3.328 630 2HE LYS 79 1HE LYS 79 11.291 5.057 5.057 631 1HZ LYS 79 2HZ LYS 79 12.816 3.409 3.409 632 2HZ LYS 79 1HZ LYS 79 13.479 3.621 3.621 633 3HZ LYS 79 3HZ LYS 79 13.133 4.967 4.967 634 H PHE 80 H PHE 80 6.871 6.268 6.268 635 HA PHE 80 HA PHE 80 7.350 8.801 8.801 636 1HB PHE 80 2HB PHE 80 4.791 7.221 7.221 637 2HB PHE 80 1HB PHE 80 5.367 8.473 8.473 638 HD1 PHE 80 HD1 PHE 80 5.658 4.963 4.963 639 HD2 PHE 80 HD2 PHE 80 6.983 7.975 7.975 640 HE1 PHE 80 HE1 PHE 80 6.625 3.231 3.231 641 HE2 PHE 80 HE2 PHE 80 7.952 6.249 6.249 642 HZ PHE 80 HZ PHE 80 7.775 3.872 3.872 643 H ALA 81 H ALA 81 6.106 7.446 7.446 644 HA ALA 81 HA ALA 81 5.105 8.375 8.375 645 1HB ALA 81 3HB ALA 81 6.195 10.681 10.681 646 2HB ALA 81 2HB ALA 81 4.827 11.064 11.064 647 3HB ALA 81 1HB ALA 81 6.254 10.276 10.276 648 H CYS 82 H CYS 82 3.579 7.422 7.422 649 HA CYS 82 HA CYS 82 1.220 9.164 9.164 650 1HB CYS 82 2HB CYS 82 1.891 6.805 6.805 651 2HB CYS 82 1HB CYS 82 0.410 7.751 7.751 652 HG CYS 82 HG CYS 82 3.183 9.029 9.029 653 H ASN 83 H ASN 83 -0.866 7.589 7.589 654 HA ASN 83 HA ASN 83 -0.807 5.800 5.800 655 1HB ASN 83 2HB ASN 83 -2.349 7.365 7.365 656 2HB ASN 83 1HB ASN 83 -2.792 7.782 7.782 657 1HD2 ASN 83 2HD2 ASN 83 -5.302 5.336 5.336 658 2HD2 ASN 83 1HD2 ASN 83 -4.145 6.266 6.266 659 H GLY 84 H GLY 84 -0.818 3.728 3.728 660 1HA GLY 84 2HA GLY 84 -2.237 2.948 2.948 661 2HA GLY 84 1HA GLY 84 -0.809 2.131 2.131 662 H THR 85 H THR 85 -3.766 1.429 1.429 663 HA THR 85 HA THR 85 -4.113 -0.106 -0.106 664 HB THR 85 HB THR 85 -6.558 0.185 0.185 665 HG1 THR 85 HG1 THR 85 -5.911 2.065 2.065 666 1HG2 THR 85 2HG2 THR 85 -4.801 2.547 2.547 667 2HG2 THR 85 1HG2 THR 85 -6.548 2.784 2.784 668 3HG2 THR 85 3HG2 THR 85 -5.843 1.709 1.709 669 H VAL 86 H VAL 86 -4.452 -2.222 -2.222 670 HA VAL 86 HA VAL 86 -4.525 -3.274 -3.274 671 HB VAL 86 HB VAL 86 -3.015 -4.289 -4.289 672 1HG1 VAL 86 2HG1 VAL 86 -5.024 -3.982 -3.982 673 2HG1 VAL 86 1HG1 VAL 86 -5.149 -5.705 -5.705 674 3HG1 VAL 86 3HG1 VAL 86 -3.629 -5.036 -5.036 675 1HG2 VAL 86 3HG2 VAL 86 -5.084 -5.792 -5.792 676 2HG2 VAL 86 2HG2 VAL 86 -3.326 -5.919 -5.919 677 3HG2 VAL 86 1HG2 VAL 86 -4.217 -6.706 -6.706 678 H ILE 87 H ILE 87 -6.778 -2.172 -2.172 679 HA ILE 87 HA ILE 87 -8.970 -3.408 -3.408 680 HB ILE 87 HB ILE 87 -10.360 -2.299 -2.299 681 1HG1 ILE 87 2HG1 ILE 87 -8.077 -0.740 -0.740 682 2HG1 ILE 87 1HG1 ILE 87 -8.104 -2.420 -2.420 683 1HG2 ILE 87 1HG2 ILE 87 -9.706 -1.177 -1.177 684 2HG2 ILE 87 3HG2 ILE 87 -8.311 -0.491 -0.491 685 3HG2 ILE 87 2HG2 ILE 87 -9.943 -0.053 -0.053 686 1HD1 ILE 87 1HD1 ILE 87 -10.536 -0.700 -0.700 687 2HD1 ILE 87 3HD1 ILE 87 -9.253 -0.645 -0.645 688 3HD1 ILE 87 2HD1 ILE 87 -10.105 -2.157 -2.157 689 H GLU 88 H GLU 88 -10.574 -4.787 -4.787 690 HA GLU 88 HA GLU 88 -9.526 -6.636 -6.636 691 1HB GLU 88 2HB GLU 88 -10.339 -7.339 -7.339 692 2HB GLU 88 1HB GLU 88 -11.944 -7.199 -7.199 693 1HG GLU 88 2HG GLU 88 -11.316 -8.810 -8.810 694 2HG GLU 88 1HG GLU 88 -9.721 -8.965 -8.965 695 H HIS 89 H HIS 89 -10.122 -4.967 -4.967 696 HA HIS 89 HA HIS 89 -12.687 -4.080 -4.080 697 1HB HIS 89 2HB HIS 89 -10.319 -3.651 -3.651 698 2HB HIS 89 1HB HIS 89 -10.966 -4.799 -4.799 699 HD1 HIS 89 HD1 HIS 89 -12.345 -3.810 -3.810 700 HD2 HIS 89 HD2 HIS 89 -12.166 -1.354 -1.354 701 HE1 HIS 89 HE1 HIS 89 -13.577 -1.712 -1.712 702 HE2 HIS 89 HE2 HIS 89 -13.528 -0.274 -0.274 703 HA PRO 90 HA PRO 90 -14.734 -7.833 -7.833 704 1HB PRO 90 2HB PRO 90 -17.066 -6.773 -6.773 705 2HB PRO 90 1HB PRO 90 -16.613 -6.824 -6.824 706 1HG PRO 90 2HG PRO 90 -16.450 -4.546 -4.546 707 2HG PRO 90 1HG PRO 90 -17.001 -4.544 -4.544 708 1HD PRO 90 2HD PRO 90 -14.502 -3.747 -3.747 709 2HD PRO 90 1HD PRO 90 -14.866 -4.411 -4.411 710 H GLU 91 H GLU 91 -13.988 -5.183 -5.183 711 HA GLU 91 HA GLU 91 -14.940 -6.425 -6.425 712 1HB GLU 91 2HB GLU 91 -14.134 -3.832 -3.832 713 2HB GLU 91 1HB GLU 91 -13.078 -4.317 -4.317 714 1HG GLU 91 2HG GLU 91 -14.967 -3.119 -3.119 715 2HG GLU 91 1HG GLU 91 -15.051 -4.805 -4.805 716 H TYR 92 H TYR 92 -12.041 -6.386 -6.386 717 HA TYR 92 HA TYR 92 -10.662 -7.876 -7.876 718 1HB TYR 92 2HB TYR 92 -9.126 -6.351 -6.351 719 2HB TYR 92 1HB TYR 92 -8.650 -6.805 -6.805 720 HD1 TYR 92 HD2 TYR 92 -10.703 -5.780 -5.780 721 HD2 TYR 92 HD1 TYR 92 -9.085 -4.043 -4.043 722 HE1 TYR 92 HE2 TYR 92 -11.349 -3.553 -3.553 723 HE2 TYR 92 HE1 TYR 92 -9.726 -1.809 -1.809 724 HH TYR 92 HH TYR 92 -10.460 -1.096 -1.096 725 H GLY 93 H GLY 93 -10.702 -7.328 -7.328 726 1HA GLY 93 2HA GLY 93 -11.007 -9.095 -9.095 727 2HA GLY 93 1HA GLY 93 -10.412 -10.228 -10.228 728 H GLU 94 H GLU 94 -9.615 -8.223 -8.223 729 HA GLU 94 HA GLU 94 -7.721 -7.950 -7.950 730 1HB GLU 94 2HB GLU 94 -7.700 -10.557 -10.557 731 2HB GLU 94 1HB GLU 94 -6.189 -10.029 -10.029 732 1HG GLU 94 2HG GLU 94 -5.647 -10.831 -10.831 733 2HG GLU 94 1HG GLU 94 -5.579 -9.073 -9.073 734 H VAL 95 H VAL 95 -7.414 -5.911 -5.911 735 HA VAL 95 HA VAL 95 -4.982 -5.882 -5.882 736 HB VAL 95 HB VAL 95 -5.944 -3.879 -3.879 737 1HG1 VAL 95 1HG1 VAL 95 -7.069 -6.641 -6.641 738 2HG1 VAL 95 3HG1 VAL 95 -7.432 -5.331 -5.331 739 3HG1 VAL 95 2HG1 VAL 95 -5.764 -5.858 -5.858 740 1HG2 VAL 95 1HG2 VAL 95 -7.877 -3.890 -3.890 741 2HG2 VAL 95 3HG2 VAL 95 -8.110 -3.235 -3.235 742 3HG2 VAL 95 2HG2 VAL 95 -8.672 -4.862 -4.862 743 H ILE 96 H ILE 96 -3.547 -4.246 -4.246 744 HA ILE 96 HA ILE 96 -3.908 -2.883 -2.883 745 HB ILE 96 HB ILE 96 -1.639 -3.317 -3.317 746 1HG1 ILE 96 2HG1 ILE 96 -2.243 -4.633 -4.633 747 2HG1 ILE 96 1HG1 ILE 96 -0.562 -4.161 -4.161 748 1HG2 ILE 96 1HG2 ILE 96 -1.924 -0.884 -0.884 749 2HG2 ILE 96 3HG2 ILE 96 -0.336 -1.619 -1.619 750 3HG2 ILE 96 2HG2 ILE 96 -1.250 -1.045 -1.045 751 1HD1 ILE 96 1HD1 ILE 96 -0.987 -2.217 -2.217 752 2HD1 ILE 96 3HD1 ILE 96 -2.592 -2.874 -2.874 753 3HD1 ILE 96 2HD1 ILE 96 -1.159 -3.788 -3.788 754 H GLN 97 H GLN 97 -4.353 -0.753 -0.753 755 HA GLN 97 HA GLN 97 -4.610 0.904 0.904 756 1HB GLN 97 2HB GLN 97 -6.772 0.031 0.031 757 2HB GLN 97 1HB GLN 97 -6.424 1.267 1.267 758 1HG GLN 97 2HG GLN 97 -6.722 3.003 3.003 759 2HG GLN 97 1HG GLN 97 -6.542 1.939 1.939 760 1HE2 GLN 97 2HE2 GLN 97 -10.038 1.418 1.418 761 2HE2 GLN 97 1HE2 GLN 97 -8.519 1.411 1.411 762 H LEU 98 H LEU 98 -3.282 2.544 2.544 763 HA LEU 98 HA LEU 98 -2.335 3.618 3.618 764 1HB LEU 98 2HB LEU 98 -1.298 4.398 4.398 765 2HB LEU 98 1HB LEU 98 -0.493 4.497 4.497 766 HG LEU 98 HG LEU 98 -1.221 1.786 1.786 767 1HD1 LEU 98 2HD1 LEU 98 -0.062 3.408 3.408 768 2HD1 LEU 98 1HD1 LEU 98 1.356 2.757 2.757 769 3HD1 LEU 98 3HD1 LEU 98 0.183 1.664 1.664 770 1HD2 LEU 98 2HD2 LEU 98 0.103 2.683 2.683 771 2HD2 LEU 98 1HD2 LEU 98 0.432 1.120 1.120 772 3HD2 LEU 98 3HD2 LEU 98 1.454 2.509 2.509 773 H GLN 99 H GLN 99 -2.186 5.945 5.945 774 HA GLN 99 HA GLN 99 -4.583 7.243 7.243 775 1HB GLN 99 2HB GLN 99 -2.984 7.436 7.436 776 2HB GLN 99 1HB GLN 99 -3.019 9.019 9.019 777 1HG GLN 99 2HG GLN 99 -5.617 7.668 7.668 778 2HG GLN 99 1HG GLN 99 -4.888 8.098 8.098 779 1HE2 GLN 99 2HE2 GLN 99 -6.788 10.852 10.852 780 2HE2 GLN 99 1HE2 GLN 99 -6.916 9.145 9.145 781 H GLY 100 H GLY 100 -4.677 9.002 9.002 782 1HA GLY 100 2HA GLY 100 -3.913 10.741 10.741 783 2HA GLY 100 1HA GLY 100 -2.279 10.413 10.413 784 H ASP 101 H ASP 101 -2.317 10.984 10.984 785 HA ASP 101 HA ASP 101 -2.818 8.691 8.691 786 1HB ASP 101 2HB ASP 101 -1.764 10.146 10.146 787 2HB ASP 101 1HB ASP 101 -3.198 10.821 10.821 788 H GLN 102 H GLN 102 -1.448 7.155 7.155 789 HA GLN 102 HA GLN 102 1.425 7.618 7.618 790 1HB GLN 102 2HB GLN 102 -0.363 5.815 5.815 791 2HB GLN 102 1HB GLN 102 1.152 5.090 5.090 792 1HG GLN 102 2HG GLN 102 1.119 6.123 6.123 793 2HG GLN 102 1HG GLN 102 2.431 6.621 6.621 794 1HE2 GLN 102 2HE2 GLN 102 -0.575 9.363 9.363 795 2HE2 GLN 102 1HE2 GLN 102 -0.914 7.714 7.714 796 H ARG 103 H ARG 103 -0.669 6.867 6.867 797 HA ARG 103 HA ARG 103 -0.129 4.400 4.400 798 1HB ARG 103 2HB ARG 103 -0.606 5.416 5.416 799 2HB ARG 103 1HB ARG 103 -1.781 5.855 5.855 800 1HG ARG 103 2HG ARG 103 -0.710 8.021 8.021 801 2HG ARG 103 1HG ARG 103 0.505 7.581 7.581 802 1HD ARG 103 2HD ARG 103 -0.915 7.870 7.870 803 2HD ARG 103 1HD ARG 103 -2.317 7.313 7.313 804 HE ARG 103 HE ARG 103 -2.732 9.480 9.480 805 1HH1 ARG 103 2HH1 ARG 103 0.441 9.294 9.294 806 2HH1 ARG 103 1HH1 ARG 103 0.647 11.011 11.011 807 1HH2 ARG 103 1HH2 ARG 103 -2.463 11.739 11.739 808 2HH2 ARG 103 2HH2 ARG 103 -1.001 12.399 12.399 809 H LYS 104 H LYS 104 1.972 7.148 7.148 810 HA LYS 104 HA LYS 104 3.918 5.870 5.870 811 1HB LYS 104 2HB LYS 104 3.234 8.319 8.319 812 2HB LYS 104 1HB LYS 104 4.145 8.618 8.618 813 1HG LYS 104 2HG LYS 104 5.524 9.136 9.136 814 2HG LYS 104 1HG LYS 104 6.154 7.683 7.683 815 1HD LYS 104 2HD LYS 104 6.155 7.453 7.453 816 2HD LYS 104 1HD LYS 104 5.054 6.295 6.295 817 1HE LYS 104 2HE LYS 104 4.216 7.510 7.510 818 2HE LYS 104 1HE LYS 104 3.156 7.508 7.508 819 1HZ LYS 104 1HZ LYS 104 5.003 9.736 9.736 820 2HZ LYS 104 3HZ LYS 104 3.384 9.694 9.694 821 3HZ LYS 104 2HZ LYS 104 3.768 9.728 9.728 822 H ASN 105 H ASN 105 3.274 6.538 6.538 823 HA ASN 105 HA ASN 105 6.049 6.154 6.154 824 1HB ASN 105 2HB ASN 105 3.521 6.961 6.961 825 2HB ASN 105 1HB ASN 105 4.781 6.216 6.216 826 1HD2 ASN 105 2HD2 ASN 105 5.010 10.057 10.057 827 2HD2 ASN 105 1HD2 ASN 105 3.601 9.073 9.073 828 H ILE 106 H ILE 106 2.945 4.454 4.454 829 HA ILE 106 HA ILE 106 3.825 2.332 2.332 830 HB ILE 106 HB ILE 106 1.444 2.819 2.819 831 1HG1 ILE 106 2HG1 ILE 106 0.721 0.508 0.508 832 2HG1 ILE 106 1HG1 ILE 106 2.247 -0.008 -0.008 833 1HG2 ILE 106 3HG2 ILE 106 1.850 3.111 3.111 834 2HG2 ILE 106 2HG2 ILE 106 1.791 1.353 1.353 835 3HG2 ILE 106 1HG2 ILE 106 0.388 2.250 2.250 836 1HD1 ILE 106 3HD1 ILE 106 2.638 1.457 1.457 837 2HD1 ILE 106 2HD1 ILE 106 1.599 0.049 0.049 838 3HD1 ILE 106 1HD1 ILE 106 3.211 -0.143 -0.143 839 H CYS 107 H CYS 107 3.630 2.549 2.549 840 HA CYS 107 HA CYS 107 4.655 -0.006 -0.006 841 1HB CYS 107 2HB CYS 107 5.315 0.953 0.953 842 2HB CYS 107 1HB CYS 107 3.648 1.310 1.310 843 HG CYS 107 HG CYS 107 4.564 3.750 3.750 844 H GLN 108 H GLN 108 6.147 3.038 3.038 845 HA GLN 108 HA GLN 108 8.843 2.256 2.256 846 1HB GLN 108 2HB GLN 108 8.633 4.547 4.547 847 2HB GLN 108 1HB GLN 108 7.431 4.564 4.564 848 1HG GLN 108 2HG GLN 108 9.077 5.439 5.439 849 2HG GLN 108 1HG GLN 108 9.625 3.772 3.772 850 1HE2 GLN 108 2HE2 GLN 108 12.462 4.155 4.155 851 2HE2 GLN 108 1HE2 GLN 108 11.350 3.047 3.047 852 H PHE 109 H PHE 109 6.636 2.109 2.109 853 HA PHE 109 HA PHE 109 8.579 1.409 1.409 854 1HB PHE 109 2HB PHE 109 6.471 2.410 2.410 855 2HB PHE 109 1HB PHE 109 5.571 1.087 1.087 856 HD1 PHE 109 HD2 PHE 109 8.184 1.704 1.704 857 HD2 PHE 109 HD1 PHE 109 4.869 -0.656 -0.656 858 HE1 PHE 109 HE2 PHE 109 8.250 0.489 0.489 859 HE2 PHE 109 HE1 PHE 109 4.929 -1.876 -1.876 860 HZ PHE 109 HZ PHE 109 6.621 -1.303 -1.303 861 H LEU 110 H LEU 110 6.286 -0.391 -0.391 862 HA LEU 110 HA LEU 110 6.712 -2.938 -2.938 863 1HB LEU 110 2HB LEU 110 5.690 -1.843 -1.843 864 2HB LEU 110 1HB LEU 110 6.150 -3.533 -3.533 865 HG LEU 110 HG LEU 110 4.476 -4.110 -4.110 866 1HD1 LEU 110 1HD1 LEU 110 4.328 -1.179 -1.179 867 2HD1 LEU 110 3HD1 LEU 110 3.105 -2.342 -2.342 868 3HD1 LEU 110 2HD1 LEU 110 4.770 -2.514 -2.514 869 1HD2 LEU 110 1HD2 LEU 110 3.695 -3.370 -3.370 870 2HD2 LEU 110 3HD2 LEU 110 2.471 -3.444 -3.444 871 3HD2 LEU 110 2HD2 LEU 110 3.143 -1.889 -1.889 872 H VAL 111 H VAL 111 8.600 -1.038 -1.038 873 HA VAL 111 HA VAL 111 10.320 -3.301 -3.301 874 HB VAL 111 HB VAL 111 10.506 -0.427 -0.427 875 1HG1 VAL 111 1HG1 VAL 111 12.102 -2.865 -2.865 876 2HG1 VAL 111 3HG1 VAL 111 11.777 -1.787 -1.787 877 3HG1 VAL 111 2HG1 VAL 111 12.603 -1.176 -1.176 878 1HG2 VAL 111 3HG2 VAL 111 8.420 -1.643 -1.643 879 2HG2 VAL 111 2HG2 VAL 111 9.425 -1.087 -1.087 880 3HG2 VAL 111 1HG2 VAL 111 9.447 -2.787 -2.787 881 H GLU 112 H GLU 112 10.258 -0.484 -0.484 882 HA GLU 112 HA GLU 112 13.074 -0.386 -0.386 883 1HB GLU 112 2HB GLU 112 10.682 0.866 0.866 884 2HB GLU 112 1HB GLU 112 12.297 1.045 1.045 885 1HG GLU 112 2HG GLU 112 12.132 1.653 1.653 886 2HG GLU 112 1HG GLU 112 11.141 2.701 2.701 887 H ILE 113 H ILE 113 10.337 -1.984 -1.984 888 HA ILE 113 HA ILE 113 12.020 -2.969 -2.969 889 HB ILE 113 HB ILE 113 10.034 -3.685 -3.685 890 1HG1 ILE 113 2HG1 ILE 113 8.615 -3.111 -3.111 891 2HG1 ILE 113 1HG1 ILE 113 8.839 -4.684 -4.684 892 1HG2 ILE 113 1HG2 ILE 113 10.583 -1.126 -1.126 893 2HG2 ILE 113 3HG2 ILE 113 9.010 -1.159 -1.159 894 3HG2 ILE 113 2HG2 ILE 113 9.153 -1.645 -1.645 895 1HD1 ILE 113 2HD1 ILE 113 7.525 -2.958 -2.958 896 2HD1 ILE 113 1HD1 ILE 113 6.688 -2.900 -2.900 897 3HD1 ILE 113 3HD1 ILE 113 6.942 -4.447 -4.447 898 H GLY 114 H GLY 114 10.547 -3.993 -3.993 899 1HA GLY 114 2HA GLY 114 11.259 -5.936 -5.936 900 2HA GLY 114 1HA GLY 114 11.732 -6.650 -6.650 901 H LEU 115 H LEU 115 8.672 -5.052 -5.052 902 HA LEU 115 HA LEU 115 7.259 -7.433 -7.433 903 1HB LEU 115 2HB LEU 115 6.827 -4.750 -4.750 904 2HB LEU 115 1HB LEU 115 5.691 -5.140 -5.140 905 HG LEU 115 HG LEU 115 4.541 -6.705 -6.705 906 1HD1 LEU 115 1HD1 LEU 115 6.887 -6.375 -6.375 907 2HD1 LEU 115 3HD1 LEU 115 5.325 -6.925 -6.925 908 3HD1 LEU 115 2HD1 LEU 115 6.167 -7.855 -7.855 909 1HD2 LEU 115 3HD2 LEU 115 4.506 -4.056 -4.056 910 2HD2 LEU 115 2HD2 LEU 115 3.464 -5.194 -5.194 911 3HD2 LEU 115 1HD2 LEU 115 4.946 -4.613 -4.613 912 H ALA 116 H ALA 116 6.561 -5.189 -5.189 913 HA ALA 116 HA ALA 116 5.581 -7.443 -7.443 914 1HB ALA 116 1HB ALA 116 4.341 -5.196 -5.196 915 2HB ALA 116 3HB ALA 116 5.457 -4.586 -4.586 916 3HB ALA 116 2HB ALA 116 4.374 -5.922 -5.922 917 H LYS 117 H LYS 117 6.152 -7.484 -7.484 918 HA LYS 117 HA LYS 117 9.027 -7.123 -7.123 919 1HB LYS 117 2HB LYS 117 7.118 -8.987 -8.987 920 2HB LYS 117 1HB LYS 117 7.848 -8.178 -8.178 921 1HG LYS 117 2HG LYS 117 9.232 -9.995 -9.995 922 2HG LYS 117 1HG LYS 117 10.088 -8.708 -8.708 923 1HD LYS 117 2HD LYS 117 8.283 -10.770 -10.770 924 2HD LYS 117 1HD LYS 117 10.048 -10.776 -10.776 925 1HE LYS 117 2HE LYS 117 9.854 -8.465 -8.465 926 2HE LYS 117 1HE LYS 117 8.149 -8.847 -8.847 927 1HZ LYS 117 3HZ LYS 117 9.262 -11.030 -11.030 928 2HZ LYS 117 2HZ LYS 117 10.490 -9.918 -9.918 929 3HZ LYS 117 1HZ LYS 117 8.926 -9.657 -9.657 930 H ASP 118 H ASP 118 9.986 -6.005 -6.005 931 HA ASP 118 HA ASP 118 8.854 -3.521 -3.521 932 1HB ASP 118 2HB ASP 118 10.672 -3.220 -3.220 933 2HB ASP 118 1HB ASP 118 11.279 -3.992 -3.992 934 H ASP 119 H ASP 119 8.548 -6.599 -6.599 935 HA ASP 119 HA ASP 119 7.392 -5.506 -5.506 936 1HB ASP 119 2HB ASP 119 7.917 -8.280 -8.280 937 2HB ASP 119 1HB ASP 119 6.851 -8.034 -8.034 938 H GLN 120 H GLN 120 6.341 -6.612 -6.612 939 HA GLN 120 HA GLN 120 3.596 -7.021 -7.021 940 1HB GLN 120 2HB GLN 120 4.874 -6.852 -6.852 941 2HB GLN 120 1HB GLN 120 3.205 -7.302 -7.302 942 1HG GLN 120 2HG GLN 120 4.023 -9.238 -9.238 943 2HG GLN 120 1HG GLN 120 5.667 -8.812 -8.812 944 1HE2 GLN 120 2HE2 GLN 120 3.125 -9.938 -9.938 945 2HE2 GLN 120 1HE2 GLN 120 2.580 -8.910 -8.910 946 H LEU 121 H LEU 121 5.521 -4.347 -4.347 947 HA LEU 121 HA LEU 121 3.916 -2.659 -2.659 948 1HB LEU 121 2HB LEU 121 5.732 -2.014 -2.014 949 2HB LEU 121 1HB LEU 121 5.019 -0.799 -0.799 950 HG LEU 121 HG LEU 121 6.767 -3.004 -3.004 951 1HD1 LEU 121 1HD1 LEU 121 7.510 -0.401 -0.401 952 2HD1 LEU 121 3HD1 LEU 121 8.459 -1.019 -1.019 953 3HD1 LEU 121 2HD1 LEU 121 8.298 -1.973 -1.973 954 1HD2 LEU 121 1HD2 LEU 121 5.132 -1.176 -1.176 955 2HD2 LEU 121 3HD2 LEU 121 6.475 -2.052 -2.052 956 3HD2 LEU 121 2HD2 LEU 121 6.729 -0.430 -0.430 957 H LYS 122 H LYS 122 1.742 -2.910 -2.910 958 HA LYS 122 HA LYS 122 0.851 -1.978 -1.978 959 1HB LYS 122 2HB LYS 122 -0.132 -4.038 -4.038 960 2HB LYS 122 1HB LYS 122 -1.379 -3.053 -3.053 961 1HG LYS 122 2HG LYS 122 0.764 -4.528 -4.528 962 2HG LYS 122 1HG LYS 122 -0.869 -5.139 -5.139 963 1HD LYS 122 2HD LYS 122 -1.740 -3.851 -3.851 964 2HD LYS 122 1HD LYS 122 -0.816 -2.437 -2.437 965 1HE LYS 122 2HE LYS 122 1.193 -3.534 -3.534 966 2HE LYS 122 1HE LYS 122 0.057 -4.674 -4.674 967 1HZ LYS 122 1HZ LYS 122 -0.272 -1.751 -1.751 968 2HZ LYS 122 3HZ LYS 122 0.694 -2.652 -2.652 969 3HZ LYS 122 2HZ LYS 122 -0.958 -2.987 -2.987 970 H VAL 123 H VAL 123 1.068 0.233 0.233 971 HA VAL 123 HA VAL 123 -0.599 1.235 1.235 972 HB VAL 123 HB VAL 123 1.667 2.147 2.147 973 1HG1 VAL 123 3HG1 VAL 123 1.207 2.060 2.060 974 2HG1 VAL 123 2HG1 VAL 123 1.044 3.783 3.783 975 3HG1 VAL 123 1HG1 VAL 123 2.528 2.935 2.935 976 1HG2 VAL 123 1HG2 VAL 123 -0.309 3.491 3.491 977 2HG2 VAL 123 3HG2 VAL 123 1.116 4.400 4.400 978 3HG2 VAL 123 2HG2 VAL 123 -0.294 4.319 4.319 979 H HIS 124 H HIS 124 -2.658 1.732 1.732 980 HA HIS 124 HA HIS 124 -3.377 2.803 2.803 981 1HB HIS 124 2HB HIS 124 -5.168 1.130 1.130 982 2HB HIS 124 1HB HIS 124 -5.504 1.680 1.680 983 HD1 HIS 124 HD1 HIS 124 -4.813 0.165 0.165 984 HD2 HIS 124 HD2 HIS 124 -3.037 -0.853 -0.853 985 HE1 HIS 124 HE1 HIS 124 -3.627 -2.010 -2.010 986 HE2 HIS 124 HE2 HIS 124 -2.716 -2.688 -2.688 987 H GLY 125 H GLY 125 -3.067 4.938 4.938 988 1HA GLY 125 2HA GLY 125 -4.262 5.988 5.988 989 2HA GLY 125 1HA GLY 125 -3.858 6.918 6.918 990 H PHE 126 HN PHE 126 -6.318 6.135 6.135 991 HA PHE 126 HA PHE 126 -8.512 5.471 5.471 992 1HB PHE 126 2HB PHE 126 -9.814 6.240 6.240 993 2HB PHE 126 1HB PHE 126 -8.254 6.029 6.029 994 HD1 PHE 126 HD2 PHE 126 -6.731 8.331 8.331 995 HD2 PHE 126 HD1 PHE 126 -10.940 8.044 8.044 996 HE1 PHE 126 HE2 PHE 126 -6.789 10.679 10.679 997 HE2 PHE 126 HE1 PHE 126 -11.006 10.392 10.392 998 HZ PHE 126 HZ PHE 126 -8.929 11.712 11.712 Start of MODEL 3 1 1H MET 1 2H MET 1 36.994 17.600 17.600 2 2H MET 1 1H MET 1 38.414 18.178 18.178 3 3H MET 1 3H MET 1 37.035 19.187 19.187 4 HA MET 1 HA MET 1 35.855 18.000 18.000 5 1HB MET 1 2HB MET 1 38.769 18.277 18.277 6 2HB MET 1 1HB MET 1 37.620 17.683 17.683 7 1HG MET 1 2HG MET 1 36.517 19.701 19.701 8 2HG MET 1 1HG MET 1 37.076 20.236 20.236 9 1HE MET 1 1HE MET 1 38.384 18.908 18.908 10 2HE MET 1 3HE MET 1 39.751 19.944 19.944 11 3HE MET 1 2HE MET 1 39.918 18.720 18.720 12 H ARG 2 H ARG 2 35.001 16.037 16.037 13 HA ARG 2 HA ARG 2 36.705 13.689 13.689 14 1HB ARG 2 2HB ARG 2 36.190 13.872 13.872 15 2HB ARG 2 1HB ARG 2 34.470 13.935 13.935 16 1HG ARG 2 2HG ARG 2 34.785 11.651 11.651 17 2HG ARG 2 1HG ARG 2 36.354 11.618 11.618 18 1HD ARG 2 2HD ARG 2 35.092 12.108 12.108 19 2HD ARG 2 1HD ARG 2 33.619 11.755 11.755 20 HE ARG 2 HE ARG 2 35.149 9.575 9.575 21 1HH1 ARG 2 2HH1 ARG 2 34.187 11.239 11.239 22 2HH1 ARG 2 1HH1 ARG 2 34.218 9.809 9.809 23 1HH2 ARG 2 1HH2 ARG 2 35.190 7.694 7.694 24 2HH2 ARG 2 2HH2 ARG 2 34.789 7.797 7.797 25 H GLY 3 H GLY 3 36.094 12.721 12.721 26 1HA GLY 3 2HA GLY 3 33.691 13.217 13.217 27 2HA GLY 3 1HA GLY 3 34.779 11.875 11.875 28 H SER 4 H SER 4 32.525 10.973 10.973 29 HA SER 4 HA SER 4 31.810 9.260 9.260 30 1HB SER 4 2HB SER 4 29.481 9.878 9.878 31 2HB SER 4 1HB SER 4 30.452 11.326 11.326 32 HG SER 4 HG SER 4 30.113 11.741 11.741 33 H HIS 5 H HIS 5 31.644 7.322 7.322 34 HA HIS 5 HA HIS 5 30.199 7.026 7.026 35 1HB HIS 5 2HB HIS 5 31.934 5.438 5.438 36 2HB HIS 5 1HB HIS 5 32.522 7.091 7.091 37 HD1 HIS 5 HD1 HIS 5 32.863 3.691 3.691 38 HD2 HIS 5 HD2 HIS 5 34.548 7.475 7.475 39 HE1 HIS 5 HE1 HIS 5 34.906 3.393 3.393 40 HE2 HIS 5 HE2 HIS 5 35.866 5.709 5.709 41 H HIS 6 H HIS 6 28.532 5.783 5.783 42 HA HIS 6 HA HIS 6 28.835 3.103 3.103 43 1HB HIS 6 2HB HIS 6 27.612 3.428 3.428 44 2HB HIS 6 1HB HIS 6 29.363 3.564 3.564 45 HD1 HIS 6 HD1 HIS 6 29.899 5.284 5.284 46 HD2 HIS 6 HD2 HIS 6 26.745 6.442 6.442 47 HE1 HIS 6 HE1 HIS 6 29.380 7.656 7.656 48 HE2 HIS 6 HE2 HIS 6 27.530 8.366 8.366 49 H HIS 7 H HIS 7 27.362 2.873 2.873 50 HA HIS 7 HA HIS 7 24.674 3.968 3.968 51 1HB HIS 7 2HB HIS 7 26.281 3.265 3.265 52 2HB HIS 7 1HB HIS 7 24.623 2.677 2.677 53 HD1 HIS 7 HD1 HIS 7 24.587 4.494 4.494 54 HD2 HIS 7 HD2 HIS 7 24.725 5.996 5.996 55 HE1 HIS 7 HE1 HIS 7 23.860 6.893 6.893 56 HE2 HIS 7 HE2 HIS 7 23.865 7.756 7.756 57 H HIS 8 H HIS 8 23.126 2.723 2.723 58 HA HIS 8 HA HIS 8 23.569 -0.152 -0.152 59 1HB HIS 8 2HB HIS 8 22.753 1.466 1.466 60 2HB HIS 8 1HB HIS 8 21.177 1.237 1.237 61 HD1 HIS 8 HD1 HIS 8 21.297 0.229 0.229 62 HD2 HIS 8 HD2 HIS 8 22.560 -2.096 -2.096 63 HE1 HIS 8 HE1 HIS 8 21.184 -2.149 -2.149 64 HE2 HIS 8 HE2 HIS 8 21.868 -3.543 -3.543 65 H HIS 9 H HIS 9 23.218 -0.568 -0.568 66 HA HIS 9 HA HIS 9 20.398 -1.008 -1.008 67 1HB HIS 9 2HB HIS 9 21.570 1.219 1.219 68 2HB HIS 9 1HB HIS 9 21.875 0.039 0.039 69 HD1 HIS 9 HD1 HIS 9 19.183 2.040 2.040 70 HD2 HIS 9 HD2 HIS 9 19.539 -0.979 -0.979 71 HE1 HIS 9 HE1 HIS 9 16.963 1.960 1.960 72 HE2 HIS 9 HE2 HIS 9 17.171 0.061 0.061 73 H HIS 10 H HIS 10 22.621 -2.724 -2.724 74 HA HIS 10 HA HIS 10 22.305 -4.665 -4.665 75 1HB HIS 10 2HB HIS 10 24.114 -3.227 -3.227 76 2HB HIS 10 1HB HIS 10 25.095 -3.597 -3.597 77 HD1 HIS 10 HD1 HIS 10 24.920 -4.531 -4.531 78 HD2 HIS 10 HD2 HIS 10 25.132 -6.715 -6.715 79 HE1 HIS 10 HE1 HIS 10 25.796 -6.793 -6.793 80 HE2 HIS 10 HE2 HIS 10 26.004 -8.066 -8.066 81 H THR 11 H THR 11 24.528 -3.797 -3.797 82 HA THR 11 HA THR 11 25.176 -4.907 -4.907 83 HB THR 11 HB THR 11 22.603 -6.422 -6.422 84 HG1 THR 11 HG1 THR 11 21.928 -4.491 -4.491 85 1HG2 THR 11 1HG2 THR 11 24.649 -6.941 -6.941 86 2HG2 THR 11 3HG2 THR 11 23.211 -6.333 -6.333 87 3HG2 THR 11 2HG2 THR 11 23.098 -7.749 -7.749 88 H ASP 12 H ASP 12 23.600 -7.702 -7.702 89 HA ASP 12 HA ASP 12 25.754 -8.827 -8.827 90 1HB ASP 12 2HB ASP 12 25.931 -9.077 -9.077 91 2HB ASP 12 1HB ASP 12 26.001 -10.628 -10.628 92 HA PRO 13 HA PRO 13 22.299 -11.356 -11.356 93 1HB PRO 13 2HB PRO 13 24.447 -13.264 -13.264 94 2HB PRO 13 1HB PRO 13 23.094 -12.639 -12.639 95 1HG PRO 13 2HG PRO 13 25.566 -11.741 -11.741 96 2HG PRO 13 1HG PRO 13 24.176 -10.642 -10.642 97 1HD PRO 13 2HD PRO 13 26.216 -10.997 -10.997 98 2HD PRO 13 1HD PRO 13 25.410 -9.517 -9.517 99 H MET 14 H MET 14 24.962 -12.555 -12.555 100 HA MET 14 HA MET 14 23.883 -15.035 -15.035 101 1HB MET 14 2HB MET 14 25.636 -13.302 -13.302 102 2HB MET 14 1HB MET 14 25.502 -15.056 -15.056 103 1HG MET 14 2HG MET 14 26.414 -15.044 -15.044 104 2HG MET 14 1HG MET 14 26.761 -13.331 -13.331 105 1HE MET 14 2HE MET 14 27.926 -12.403 -12.403 106 2HE MET 14 1HE MET 14 28.245 -13.374 -13.374 107 3HE MET 14 3HE MET 14 29.564 -12.962 -12.962 108 H SER 15 H SER 15 23.194 -11.805 -11.805 109 HA SER 15 HA SER 15 21.928 -12.523 -12.523 110 1HB SER 15 2HB SER 15 21.564 -10.014 -10.014 111 2HB SER 15 1HB SER 15 21.131 -10.218 -10.218 112 HG SER 15 HG SER 15 23.743 -10.334 -10.334 113 H ALA 16 H ALA 16 20.818 -12.002 -12.002 114 HA ALA 16 HA ALA 16 18.124 -12.868 -12.868 115 1HB ALA 16 2HB ALA 16 18.576 -10.532 -10.532 116 2HB ALA 16 1HB ALA 16 18.585 -11.476 -11.476 117 3HB ALA 16 3HB ALA 16 17.161 -11.482 -11.482 118 H ILE 17 H ILE 17 19.000 -15.074 -15.074 119 HA ILE 17 HA ILE 17 19.360 -16.021 -16.021 120 HB ILE 17 HB ILE 17 19.831 -17.620 -17.620 121 1HG1 ILE 17 2HG1 ILE 17 21.933 -16.137 -16.137 122 2HG1 ILE 17 1HG1 ILE 17 21.214 -15.501 -15.501 123 1HG2 ILE 17 2HG2 ILE 17 20.334 -18.000 -18.000 124 2HG2 ILE 17 1HG2 ILE 17 21.494 -18.677 -18.677 125 3HG2 ILE 17 3HG2 ILE 17 19.799 -19.158 -19.158 126 1HD1 ILE 17 2HD1 ILE 17 22.300 -18.224 -18.224 127 2HD1 ILE 17 1HD1 ILE 17 23.480 -16.940 -16.940 128 3HD1 ILE 17 3HD1 ILE 17 22.405 -16.869 -16.869 129 H GLN 18 H GLN 18 18.330 -18.074 -18.074 130 HA GLN 18 HA GLN 18 15.570 -18.034 -18.034 131 1HB GLN 18 2HB GLN 18 15.569 -20.252 -20.252 132 2HB GLN 18 1HB GLN 18 16.667 -19.157 -19.157 133 1HG GLN 18 2HG GLN 18 18.282 -20.643 -20.643 134 2HG GLN 18 1HG GLN 18 18.179 -20.465 -20.465 135 1HE2 GLN 18 2HE2 GLN 18 17.014 -23.667 -23.667 136 2HE2 GLN 18 1HE2 GLN 18 17.777 -22.242 -22.242 137 H ASN 19 H ASN 19 14.313 -18.558 -18.558 138 HA ASN 19 HA ASN 19 15.374 -20.382 -20.382 139 1HB ASN 19 2HB ASN 19 13.573 -17.997 -17.997 140 2HB ASN 19 1HB ASN 19 13.395 -19.260 -19.260 141 1HD2 ASN 19 2HD2 ASN 19 16.602 -16.772 -16.772 142 2HD2 ASN 19 1HD2 ASN 19 15.503 -16.826 -16.826 143 H LEU 20 H LEU 20 14.316 -21.540 -21.540 144 HA LEU 20 HA LEU 20 11.548 -22.146 -22.146 145 1HB LEU 20 2HB LEU 20 13.795 -23.442 -23.442 146 2HB LEU 20 1HB LEU 20 12.148 -24.041 -24.041 147 HG LEU 20 HG LEU 20 12.956 -21.248 -21.248 148 1HD1 LEU 20 3HD1 LEU 20 12.849 -23.804 -23.804 149 2HD1 LEU 20 2HD1 LEU 20 12.267 -22.345 -22.345 150 3HD1 LEU 20 1HD1 LEU 20 13.920 -22.417 -22.417 151 1HD2 LEU 20 1HD2 LEU 20 10.389 -22.806 -22.806 152 2HD2 LEU 20 3HD2 LEU 20 10.668 -21.304 -21.304 153 3HD2 LEU 20 2HD2 LEU 20 10.708 -21.313 -21.313 154 H HIS 21 H HIS 21 10.567 -24.079 -24.079 155 HA HIS 21 HA HIS 21 12.176 -25.620 -25.620 156 1HB HIS 21 2HB HIS 21 10.049 -26.054 -26.054 157 2HB HIS 21 1HB HIS 21 10.425 -24.337 -24.337 158 HD1 HIS 21 HD1 HIS 21 8.187 -23.257 -23.257 159 HD2 HIS 21 HD2 HIS 21 8.465 -26.473 -26.473 160 HE1 HIS 21 HE1 HIS 21 6.040 -23.247 -23.247 161 HE2 HIS 21 HE2 HIS 21 6.270 -25.146 -25.146 162 H SER 22 H SER 22 10.662 -27.768 -27.768 163 HA SER 22 HA SER 22 10.051 -29.824 -29.824 164 1HB SER 22 2HB SER 22 8.333 -28.503 -28.503 165 2HB SER 22 1HB SER 22 9.446 -28.482 -28.482 166 HG SER 22 HG SER 22 9.023 -30.522 -30.522 167 H PHE 23 H PHE 23 11.683 -31.200 -31.200 168 HA PHE 23 HA PHE 23 13.112 -31.430 -31.430 169 1HB PHE 23 2HB PHE 23 14.255 -29.761 -29.761 170 2HB PHE 23 1HB PHE 23 15.012 -31.296 -31.296 171 HD1 PHE 23 HD2 PHE 23 15.251 -32.562 -32.562 172 HD2 PHE 23 HD1 PHE 23 15.914 -28.531 -28.531 173 HE1 PHE 23 HE2 PHE 23 16.828 -32.276 -32.276 174 HE2 PHE 23 HE1 PHE 23 17.493 -28.237 -28.237 175 HZ PHE 23 HZ PHE 23 17.953 -30.110 -30.110 176 H ASP 24 H ASP 24 11.581 -33.332 -33.332 177 HA ASP 24 HA ASP 24 13.056 -35.338 -35.338 178 1HB ASP 24 2HB ASP 24 10.147 -35.465 -35.465 179 2HB ASP 24 1HB ASP 24 10.981 -36.481 -36.481 180 HA PRO 25 HA PRO 25 14.118 -37.587 -37.587 181 1HB PRO 25 2HB PRO 25 13.435 -40.011 -40.011 182 2HB PRO 25 1HB PRO 25 14.928 -39.609 -39.609 183 1HG PRO 25 2HG PRO 25 14.806 -39.471 -39.471 184 2HG PRO 25 1HG PRO 25 15.712 -38.267 -38.267 185 1HD PRO 25 2HD PRO 25 13.035 -38.033 -38.033 186 2HD PRO 25 1HD PRO 25 14.328 -36.825 -36.825 187 H PHE 26 H PHE 26 11.168 -38.382 -38.382 188 HA PHE 26 HA PHE 26 9.977 -39.362 -39.362 189 1HB PHE 26 2HB PHE 26 8.810 -39.786 -39.786 190 2HB PHE 26 1HB PHE 26 8.476 -40.677 -40.677 191 HD1 PHE 26 HD1 PHE 26 11.064 -40.044 -40.044 192 HD2 PHE 26 HD2 PHE 26 9.703 -42.593 -42.593 193 HE1 PHE 26 HE1 PHE 26 12.747 -41.721 -41.721 194 HE2 PHE 26 HE2 PHE 26 11.383 -44.275 -44.275 195 HZ PHE 26 HZ PHE 26 12.908 -43.840 -43.840 196 H ALA 27 H ALA 27 10.252 -36.612 -36.612 197 HA ALA 27 HA ALA 27 7.598 -35.738 -35.738 198 1HB ALA 27 2HB ALA 27 7.705 -36.021 -36.021 199 2HB ALA 27 1HB ALA 27 8.751 -34.601 -34.601 200 3HB ALA 27 3HB ALA 27 7.102 -34.487 -34.487 201 H ASP 28 H ASP 28 8.516 -34.833 -34.833 202 HA ASP 28 HA ASP 28 9.799 -32.263 -32.263 203 1HB ASP 28 2HB ASP 28 11.611 -34.054 -34.054 204 2HB ASP 28 1HB ASP 28 11.078 -34.203 -34.203 205 H ALA 29 H ALA 29 9.240 -34.512 -34.512 206 HA ALA 29 HA ALA 29 7.942 -32.316 -32.316 207 1HB ALA 29 2HB ALA 29 9.915 -33.833 -33.833 208 2HB ALA 29 1HB ALA 29 8.578 -34.897 -34.897 209 3HB ALA 29 3HB ALA 29 8.641 -33.252 -33.252 210 H SER 30 H SER 30 6.233 -33.268 -33.268 211 HA SER 30 HA SER 30 4.620 -35.412 -35.412 212 1HB SER 30 2HB SER 30 2.584 -33.781 -33.781 213 2HB SER 30 1HB SER 30 3.686 -33.895 -33.895 214 HG SER 30 HG SER 30 4.713 -32.015 -32.015 215 H LYS 31 H LYS 31 3.730 -32.483 -32.483 216 HA LYS 31 HA LYS 31 3.699 -33.972 -33.972 217 1HB LYS 31 2HB LYS 31 1.375 -33.829 -33.829 218 2HB LYS 31 1HB LYS 31 1.196 -32.502 -32.502 219 1HG LYS 31 2HG LYS 31 1.875 -35.311 -35.311 220 2HG LYS 31 1HG LYS 31 0.228 -34.685 -34.685 221 1HD LYS 31 2HD LYS 31 1.435 -32.752 -32.752 222 2HD LYS 31 1HD LYS 31 2.345 -34.176 -34.176 223 1HE LYS 31 2HE LYS 31 0.615 -34.226 -34.226 224 2HE LYS 31 1HE LYS 31 -0.044 -35.237 -35.237 225 1HZ LYS 31 2HZ LYS 31 -0.825 -32.767 -32.767 226 2HZ LYS 31 1HZ LYS 31 -0.919 -32.657 -32.657 227 3HZ LYS 31 3HZ LYS 31 -1.781 -33.860 -33.860 228 H GLY 32 H GLY 32 5.317 -31.834 -31.834 229 1HA GLY 32 2HA GLY 32 6.206 -30.062 -30.062 230 2HA GLY 32 1HA GLY 32 4.642 -29.871 -29.871 231 H ASP 33 H ASP 33 6.595 -29.067 -29.067 232 HA ASP 33 HA ASP 33 4.567 -27.084 -27.084 233 1HB ASP 33 2HB ASP 33 5.681 -27.204 -27.204 234 2HB ASP 33 1HB ASP 33 4.765 -28.629 -28.629 235 H ASP 34 H ASP 34 6.640 -26.761 -26.761 236 HA ASP 34 HA ASP 34 8.739 -25.178 -25.178 237 1HB ASP 34 2HB ASP 34 7.879 -25.661 -25.661 238 2HB ASP 34 1HB ASP 34 9.238 -24.630 -24.630 239 H LEU 35 H LEU 35 5.631 -24.582 -24.582 240 HA LEU 35 HA LEU 35 6.061 -21.688 -21.688 241 1HB LEU 35 2HB LEU 35 4.985 -23.112 -23.112 242 2HB LEU 35 1HB LEU 35 3.530 -22.792 -22.792 243 HG LEU 35 HG LEU 35 3.723 -21.102 -21.102 244 1HD1 LEU 35 3HD1 LEU 35 2.931 -20.353 -20.353 245 2HD1 LEU 35 2HD1 LEU 35 4.586 -19.969 -19.969 246 3HD1 LEU 35 1HD1 LEU 35 3.813 -19.076 -19.076 247 1HD2 LEU 35 1HD2 LEU 35 6.247 -21.457 -21.457 248 2HD2 LEU 35 3HD2 LEU 35 5.630 -19.819 -19.819 249 3HD2 LEU 35 2HD2 LEU 35 6.398 -20.278 -20.278 250 H LEU 36 H LEU 36 5.978 -21.854 -21.854 251 HA LEU 36 HA LEU 36 3.758 -22.719 -22.719 252 1HB LEU 36 2HB LEU 36 5.782 -20.564 -20.564 253 2HB LEU 36 1HB LEU 36 4.560 -21.060 -21.060 254 HG LEU 36 HG LEU 36 6.566 -22.975 -22.975 255 1HD1 LEU 36 1HD1 LEU 36 6.724 -21.414 -21.414 256 2HD1 LEU 36 3HD1 LEU 36 7.790 -22.745 -22.745 257 3HD1 LEU 36 2HD1 LEU 36 7.790 -21.254 -21.254 258 1HD2 LEU 36 1HD2 LEU 36 4.566 -23.089 -23.089 259 2HD2 LEU 36 3HD2 LEU 36 4.770 -24.191 -24.191 260 3HD2 LEU 36 2HD2 LEU 36 5.953 -24.175 -24.175 261 HA PRO 37 HA PRO 37 0.593 -19.756 -19.756 262 1HB PRO 37 2HB PRO 37 -0.686 -19.698 -19.698 263 2HB PRO 37 1HB PRO 37 -0.821 -21.047 -21.047 264 1HG PRO 37 2HG PRO 37 0.904 -20.781 -20.781 265 2HG PRO 37 1HG PRO 37 -0.049 -22.173 -22.173 266 1HD PRO 37 2HD PRO 37 2.620 -22.005 -22.005 267 2HD PRO 37 1HD PRO 37 1.542 -22.808 -22.808 268 H ALA 38 H ALA 38 1.362 -17.733 -17.733 269 HA ALA 38 HA ALA 38 1.917 -16.119 -16.119 270 1HB ALA 38 2HB ALA 38 3.933 -16.608 -16.608 271 2HB ALA 38 1HB ALA 38 3.175 -15.696 -15.696 272 3HB ALA 38 3HB ALA 38 3.583 -14.891 -14.891 273 H GLY 39 H GLY 39 -0.555 -15.952 -15.952 274 1HA GLY 39 2HA GLY 39 -1.576 -14.402 -14.402 275 2HA GLY 39 1HA GLY 39 -2.368 -14.672 -14.672 276 H THR 40 H THR 40 -1.187 -13.410 -13.410 277 HA THR 40 HA THR 40 -0.571 -10.700 -10.700 278 HB THR 40 HB THR 40 -1.901 -9.717 -9.717 279 HG1 THR 40 HG1 THR 40 -2.055 -10.772 -10.772 280 1HG2 THR 40 1HG2 THR 40 -3.129 -11.606 -11.606 281 2HG2 THR 40 3HG2 THR 40 -4.073 -11.398 -11.398 282 3HG2 THR 40 2HG2 THR 40 -3.659 -9.996 -9.996 283 H GLU 41 H GLU 41 0.834 -13.223 -13.223 284 HA GLU 41 HA GLU 41 2.563 -13.609 -13.609 285 1HB GLU 41 2HB GLU 41 3.021 -11.018 -11.018 286 2HB GLU 41 1HB GLU 41 3.856 -11.186 -11.186 287 1HG GLU 41 2HG GLU 41 5.067 -13.061 -13.061 288 2HG GLU 41 1HG GLU 41 4.037 -13.253 -13.253 289 H ASP 42 H ASP 42 -0.015 -12.575 -12.575 290 HA ASP 42 HA ASP 42 -0.892 -11.804 -11.804 291 1HB ASP 42 2HB ASP 42 0.565 -13.970 -13.970 292 2HB ASP 42 1HB ASP 42 1.508 -12.830 -12.830 293 H TYR 43 H TYR 43 -0.345 -9.574 -9.574 294 HA TYR 43 HA TYR 43 1.910 -8.246 -8.246 295 1HB TYR 43 2HB TYR 43 -0.513 -7.095 -7.095 296 2HB TYR 43 1HB TYR 43 0.945 -6.206 -6.206 297 HD1 TYR 43 HD1 TYR 43 2.721 -8.754 -8.754 298 HD2 TYR 43 HD2 TYR 43 -0.260 -6.409 -6.409 299 HE1 TYR 43 HE1 TYR 43 3.696 -9.319 -9.319 300 HE2 TYR 43 HE2 TYR 43 0.706 -6.976 -6.976 301 HH TYR 43 HH TYR 43 3.760 -8.443 -8.443 302 H ILE 44 H ILE 44 1.467 -6.129 -6.129 303 HA ILE 44 HA ILE 44 -0.493 -6.707 -6.707 304 HB ILE 44 HB ILE 44 1.976 -4.970 -4.970 305 1HG1 ILE 44 2HG1 ILE 44 2.635 -7.269 -7.269 306 2HG1 ILE 44 1HG1 ILE 44 2.718 -6.709 -6.709 307 1HG2 ILE 44 3HG2 ILE 44 0.076 -4.184 -4.184 308 2HG2 ILE 44 2HG2 ILE 44 0.097 -5.745 -5.745 309 3HG2 ILE 44 1HG2 ILE 44 1.493 -4.671 -4.671 310 1HD1 ILE 44 2HD1 ILE 44 0.398 -7.700 -7.700 311 2HD1 ILE 44 1HD1 ILE 44 0.689 -8.512 -8.512 312 3HD1 ILE 44 3HD1 ILE 44 1.747 -8.825 -8.825 313 H HIS 45 H HIS 45 -2.316 -5.726 -5.726 314 HA HIS 45 HA HIS 45 -2.371 -3.223 -3.223 315 1HB HIS 45 2HB HIS 45 -4.185 -5.320 -5.320 316 2HB HIS 45 1HB HIS 45 -4.902 -3.836 -3.836 317 HD1 HIS 45 HD1 HIS 45 -3.885 -5.536 -5.536 318 HD2 HIS 45 HD2 HIS 45 -5.654 -1.981 -1.981 319 HE1 HIS 45 HE1 HIS 45 -4.830 -4.508 -4.508 320 HE2 HIS 45 HE2 HIS 45 -5.992 -2.411 -2.411 321 H ILE 46 H ILE 46 -2.017 -1.322 -1.322 322 HA ILE 46 HA ILE 46 -2.172 -0.872 -0.872 323 HB ILE 46 HB ILE 46 -1.783 1.135 1.135 324 1HG1 ILE 46 2HG1 ILE 46 -0.049 -0.648 -0.648 325 2HG1 ILE 46 1HG1 ILE 46 0.583 0.958 0.958 326 1HG2 ILE 46 1HG2 ILE 46 -1.776 1.356 1.356 327 2HG2 ILE 46 3HG2 ILE 46 -0.617 2.319 2.319 328 3HG2 ILE 46 2HG2 ILE 46 -2.345 2.497 2.497 329 1HD1 ILE 46 1HD1 ILE 46 0.141 0.264 0.264 330 2HD1 ILE 46 3HD1 ILE 46 0.213 -1.367 -1.367 331 3HD1 ILE 46 2HD1 ILE 46 1.590 -0.278 -0.278 332 H ARG 47 H ARG 47 -3.544 1.591 1.591 333 HA ARG 47 HA ARG 47 -5.687 2.318 2.318 334 1HB ARG 47 2HB ARG 47 -6.306 -0.175 -0.175 335 2HB ARG 47 1HB ARG 47 -6.785 0.421 0.421 336 1HG ARG 47 2HG ARG 47 -8.768 0.583 0.583 337 2HG ARG 47 1HG ARG 47 -8.110 2.187 2.187 338 1HD ARG 47 2HD ARG 47 -7.115 1.088 1.088 339 2HD ARG 47 1HD ARG 47 -8.293 -0.190 -0.190 340 HE ARG 47 HE ARG 47 -9.656 2.233 2.233 341 1HH1 ARG 47 2HH1 ARG 47 -7.881 0.322 0.322 342 2HH1 ARG 47 1HH1 ARG 47 -8.785 0.902 0.902 343 1HH2 ARG 47 1HH2 ARG 47 -10.845 2.999 2.999 344 2HH2 ARG 47 2HH2 ARG 47 -10.467 2.422 2.422 345 H ILE 48 H ILE 48 -6.454 4.123 4.123 346 HA ILE 48 HA ILE 48 -6.071 4.652 4.652 347 HB ILE 48 HB ILE 48 -5.651 6.347 6.347 348 1HG1 ILE 48 2HG1 ILE 48 -4.353 6.259 6.259 349 2HG1 ILE 48 1HG1 ILE 48 -3.774 5.417 5.417 350 1HG2 ILE 48 3HG2 ILE 48 -6.645 7.460 7.460 351 2HG2 ILE 48 2HG2 ILE 48 -5.868 8.419 8.419 352 3HG2 ILE 48 1HG2 ILE 48 -7.404 7.617 7.617 353 1HD1 ILE 48 1HD1 ILE 48 -3.416 7.569 7.569 354 2HD1 ILE 48 3HD1 ILE 48 -3.969 8.398 8.398 355 3HD1 ILE 48 2HD1 ILE 48 -2.495 7.430 7.430 356 H GLN 49 H GLN 49 -7.687 6.003 6.003 357 HA GLN 49 HA GLN 49 -10.246 6.210 6.210 358 1HB GLN 49 2HB GLN 49 -11.469 5.234 5.234 359 2HB GLN 49 1HB GLN 49 -10.311 4.080 4.080 360 1HG GLN 49 2HG GLN 49 -8.782 5.087 5.087 361 2HG GLN 49 1HG GLN 49 -10.345 5.470 5.470 362 1HE2 GLN 49 2HE2 GLN 49 -11.286 2.034 2.034 363 2HE2 GLN 49 1HE2 GLN 49 -11.928 3.565 3.565 364 H GLN 50 H GLN 50 -10.392 8.379 8.379 365 HA GLN 50 HA GLN 50 -9.938 9.833 9.833 366 1HB GLN 50 2HB GLN 50 -9.143 10.377 10.377 367 2HB GLN 50 1HB GLN 50 -10.501 11.465 11.465 368 1HG GLN 50 2HG GLN 50 -9.426 12.397 12.397 369 2HG GLN 50 1HG GLN 50 -8.098 11.253 11.253 370 1HE2 GLN 50 1HE2 GLN 50 -6.397 12.465 12.465 371 2HE2 GLN 50 2HE2 GLN 50 -6.313 13.593 13.593 372 H ARG 51 H ARG 51 -11.704 10.074 10.074 373 HA ARG 51 HA ARG 51 -14.335 9.763 9.763 374 1HB ARG 51 2HB ARG 51 -12.994 10.549 10.549 375 2HB ARG 51 1HB ARG 51 -14.544 11.351 11.351 376 1HG ARG 51 2HG ARG 51 -15.351 9.512 9.512 377 2HG ARG 51 1HG ARG 51 -15.214 8.812 8.812 378 1HD ARG 51 2HD ARG 51 -13.824 7.286 7.286 379 2HD ARG 51 1HD ARG 51 -12.678 8.569 8.569 380 HE ARG 51 HE ARG 51 -14.477 8.557 8.557 381 1HH1 ARG 51 1HH1 ARG 51 -12.044 5.375 5.375 382 2HH1 ARG 51 2HH1 ARG 51 -12.299 6.237 6.237 383 1HH2 ARG 51 1HH2 ARG 51 -14.142 7.423 7.423 384 2HH2 ARG 51 2HH2 ARG 51 -13.090 6.048 6.048 385 H ASN 52 H ASN 52 -13.291 12.827 12.827 386 HA ASN 52 HA ASN 52 -14.980 14.236 14.236 387 1HB ASN 52 2HB ASN 52 -13.725 15.882 15.882 388 2HB ASN 52 1HB ASN 52 -15.422 15.728 15.728 389 1HD2 ASN 52 2HD2 ASN 52 -16.138 14.050 14.050 390 2HD2 ASN 52 1HD2 ASN 52 -16.584 15.179 15.179 391 H GLY 53 H GLY 53 -12.656 13.253 13.253 392 1HA GLY 53 2HA GLY 53 -10.897 13.918 13.918 393 2HA GLY 53 1HA GLY 53 -11.540 15.550 15.550 394 H ARG 54 H ARG 54 -10.797 13.924 13.924 395 HA ARG 54 HA ARG 54 -8.129 15.078 15.078 396 1HB ARG 54 2HB ARG 54 -8.556 16.359 16.359 397 2HB ARG 54 1HB ARG 54 -9.802 16.788 16.788 398 1HG ARG 54 2HG ARG 54 -11.394 15.352 15.352 399 2HG ARG 54 1HG ARG 54 -10.147 14.865 14.865 400 1HD ARG 54 2HD ARG 54 -11.894 17.098 17.098 401 2HD ARG 54 1HD ARG 54 -10.666 16.598 16.598 402 HE ARG 54 HE ARG 54 -9.274 18.243 18.243 403 1HH1 ARG 54 2HH1 ARG 54 -11.982 17.867 17.867 404 2HH1 ARG 54 1HH1 ARG 54 -11.609 19.289 19.289 405 1HH2 ARG 54 1HH2 ARG 54 -8.782 20.114 20.114 406 2HH2 ARG 54 2HH2 ARG 54 -9.792 20.566 20.566 407 H LYS 55 H LYS 55 -10.671 13.245 13.245 408 HA LYS 55 HA LYS 55 -8.880 11.962 11.962 409 1HB LYS 55 2HB LYS 55 -11.704 12.061 12.061 410 2HB LYS 55 1HB LYS 55 -11.215 10.375 10.375 411 1HG LYS 55 2HG LYS 55 -11.862 11.199 11.199 412 2HG LYS 55 1HG LYS 55 -10.146 10.789 10.789 413 1HD LYS 55 2HD LYS 55 -10.562 13.546 13.546 414 2HD LYS 55 1HD LYS 55 -11.298 13.201 13.201 415 1HE LYS 55 2HE LYS 55 -8.649 12.028 12.028 416 2HE LYS 55 1HE LYS 55 -8.643 13.783 13.783 417 1HZ LYS 55 2HZ LYS 55 -10.271 13.023 13.023 418 2HZ LYS 55 1HZ LYS 55 -8.744 12.315 12.315 419 3HZ LYS 55 3HZ LYS 55 -8.885 13.992 13.992 420 H THR 56 H THR 56 -7.378 11.514 11.514 421 HA THR 56 HA THR 56 -8.034 9.311 9.311 422 HB THR 56 HB THR 56 -5.186 9.904 9.904 423 HG1 THR 56 HG1 THR 56 -5.622 11.968 11.968 424 1HG2 THR 56 1HG2 THR 56 -7.017 9.331 9.331 425 2HG2 THR 56 3HG2 THR 56 -5.886 10.631 10.631 426 3HG2 THR 56 2HG2 THR 56 -5.280 9.053 9.053 427 H LEU 57 H LEU 57 -7.333 7.192 7.192 428 HA LEU 57 HA LEU 57 -5.784 6.350 6.350 429 1HB LEU 57 2HB LEU 57 -8.651 5.903 5.903 430 2HB LEU 57 1HB LEU 57 -7.754 4.422 4.422 431 HG LEU 57 HG LEU 57 -7.417 6.794 6.794 432 1HD1 LEU 57 2HD1 LEU 57 -9.716 4.966 4.966 433 2HD1 LEU 57 1HD1 LEU 57 -9.071 5.202 5.202 434 3HD1 LEU 57 3HD1 LEU 57 -9.612 6.590 6.590 435 1HD2 LEU 57 3HD2 LEU 57 -6.507 4.023 4.023 436 2HD2 LEU 57 2HD2 LEU 57 -5.860 5.398 5.398 437 3HD2 LEU 57 1HD2 LEU 57 -7.208 4.476 4.476 438 H THR 58 H THR 58 -4.150 5.755 5.755 439 HA THR 58 HA THR 58 -4.541 4.157 4.157 440 HB THR 58 HB THR 58 -1.993 4.175 4.175 441 HG1 THR 58 HG1 THR 58 -2.613 6.220 6.220 442 1HG2 THR 58 3HG2 THR 58 -2.608 4.097 4.097 443 2HG2 THR 58 2HG2 THR 58 -0.995 4.378 4.378 444 3HG2 THR 58 1HG2 THR 58 -1.826 2.857 2.857 445 H THR 59 H THR 59 -5.025 2.057 2.057 446 HA THR 59 HA THR 59 -4.574 0.362 0.362 447 HB THR 59 HB THR 59 -6.149 -1.141 -1.141 448 HG1 THR 59 HG1 THR 59 -6.981 1.558 1.558 449 1HG2 THR 59 2HG2 THR 59 -6.702 0.611 0.611 450 2HG2 THR 59 1HG2 THR 59 -8.085 0.055 0.055 451 3HG2 THR 59 3HG2 THR 59 -6.984 -1.117 -1.117 452 H VAL 60 H VAL 60 -3.977 -1.906 -1.906 453 HA VAL 60 HA VAL 60 -2.324 -2.211 -2.211 454 HB VAL 60 HB VAL 60 -1.526 -3.248 -3.248 455 1HG1 VAL 60 3HG1 VAL 60 -0.716 -4.367 -4.367 456 2HG1 VAL 60 2HG1 VAL 60 0.201 -2.888 -2.888 457 3HG1 VAL 60 1HG1 VAL 60 0.516 -3.858 -3.858 458 1HG2 VAL 60 3HG2 VAL 60 -0.891 -0.677 -0.677 459 2HG2 VAL 60 2HG2 VAL 60 -1.318 -0.958 -0.958 460 3HG2 VAL 60 1HG2 VAL 60 0.279 -1.413 -1.413 461 H GLN 61 H GLN 61 -2.944 -3.871 -3.871 462 HA GLN 61 HA GLN 61 -4.242 -6.163 -6.163 463 1HB GLN 61 2HB GLN 61 -4.676 -4.881 -4.881 464 2HB GLN 61 1HB GLN 61 -5.135 -6.555 -6.555 465 1HG GLN 61 2HG GLN 61 -6.792 -5.989 -5.989 466 2HG GLN 61 1HG GLN 61 -6.089 -4.407 -4.407 467 1HE2 GLN 61 2HE2 GLN 61 -7.856 -4.741 -4.741 468 2HE2 GLN 61 1HE2 GLN 61 -6.731 -5.929 -5.929 469 H GLY 62 H GLY 62 -3.582 -8.236 -8.236 470 1HA GLY 62 2HA GLY 62 -2.409 -9.759 -9.759 471 2HA GLY 62 1HA GLY 62 -1.301 -8.447 -8.447 472 H ILE 63 H ILE 63 -0.978 -7.580 -7.580 473 HA ILE 63 HA ILE 63 1.267 -9.002 -9.002 474 HB ILE 63 HB ILE 63 -0.572 -7.369 -7.369 475 1HG1 ILE 63 2HG1 ILE 63 0.248 -5.908 -5.908 476 2HG1 ILE 63 1HG1 ILE 63 1.421 -5.727 -5.727 477 1HG2 ILE 63 1HG2 ILE 63 1.733 -8.951 -8.951 478 2HG2 ILE 63 3HG2 ILE 63 2.006 -7.244 -7.244 479 3HG2 ILE 63 2HG2 ILE 63 0.614 -8.077 -8.077 480 1HD1 ILE 63 3HD1 ILE 63 2.864 -7.374 -7.374 481 2HD1 ILE 63 2HD1 ILE 63 1.727 -7.273 -7.273 482 3HD1 ILE 63 1HD1 ILE 63 2.615 -5.838 -5.838 483 H ALA 64 H ALA 64 1.731 -10.634 -10.634 484 HA ALA 64 HA ALA 64 -0.376 -12.541 -12.541 485 1HB ALA 64 1HB ALA 64 1.978 -13.098 -13.098 486 2HB ALA 64 3HB ALA 64 2.479 -12.776 -12.776 487 3HB ALA 64 2HB ALA 64 1.327 -14.068 -14.068 488 H ASP 65 H ASP 65 -1.274 -13.125 -13.125 489 HA ASP 65 HA ASP 65 -1.261 -11.284 -11.284 490 1HB ASP 65 2HB ASP 65 -2.940 -13.271 -13.271 491 2HB ASP 65 1HB ASP 65 -2.177 -14.023 -14.023 492 H ASP 66 H ASP 66 0.832 -13.854 -13.854 493 HA ASP 66 HA ASP 66 1.643 -14.599 -14.599 494 1HB ASP 66 2HB ASP 66 2.787 -14.995 -14.995 495 2HB ASP 66 1HB ASP 66 3.722 -15.438 -15.438 496 H TYR 67 H TYR 67 2.435 -11.989 -11.989 497 HA TYR 67 HA TYR 67 4.965 -11.236 -11.236 498 1HB TYR 67 2HB TYR 67 2.522 -9.572 -9.572 499 2HB TYR 67 1HB TYR 67 4.100 -8.847 -8.847 500 HD1 TYR 67 HD2 TYR 67 4.185 -12.045 -12.045 501 HD2 TYR 67 HD1 TYR 67 3.751 -7.859 -7.859 502 HE1 TYR 67 HE2 TYR 67 4.734 -12.334 -12.334 503 HE2 TYR 67 HE1 TYR 67 4.295 -8.130 -8.130 504 HH TYR 67 HH TYR 67 4.441 -11.208 -11.208 505 H ASP 68 H ASP 68 5.729 -9.582 -9.582 506 HA ASP 68 HA ASP 68 4.786 -10.061 -10.061 507 1HB ASP 68 2HB ASP 68 7.055 -8.675 -8.675 508 2HB ASP 68 1HB ASP 68 6.500 -7.931 -7.931 509 H LYS 69 H LYS 69 2.594 -9.334 -9.334 510 HA LYS 69 HA LYS 69 1.528 -7.017 -7.017 511 1HB LYS 69 2HB LYS 69 0.253 -8.815 -8.815 512 2HB LYS 69 1HB LYS 69 0.898 -8.321 -8.321 513 1HG LYS 69 2HG LYS 69 -0.378 -6.401 -6.401 514 2HG LYS 69 1HG LYS 69 -0.591 -6.354 -6.354 515 1HD LYS 69 2HD LYS 69 -2.529 -7.425 -7.425 516 2HD LYS 69 1HD LYS 69 -1.707 -8.787 -8.787 517 1HE LYS 69 2HE LYS 69 -2.150 -8.026 -8.026 518 2HE LYS 69 1HE LYS 69 -2.357 -6.356 -6.356 519 1HZ LYS 69 1HZ LYS 69 -4.251 -8.428 -8.428 520 2HZ LYS 69 3HZ LYS 69 -4.415 -7.738 -7.738 521 3HZ LYS 69 2HZ LYS 69 -4.489 -6.761 -6.761 522 H LYS 70 H LYS 70 3.262 -7.417 -7.417 523 HA LYS 70 HA LYS 70 2.831 -4.827 -4.827 524 1HB LYS 70 2HB LYS 70 4.984 -6.874 -6.874 525 2HB LYS 70 1HB LYS 70 5.001 -5.310 -5.310 526 1HG LYS 70 2HG LYS 70 2.685 -5.848 -5.848 527 2HG LYS 70 1HG LYS 70 2.944 -7.487 -7.487 528 1HD LYS 70 2HD LYS 70 4.370 -8.008 -8.008 529 2HD LYS 70 1HD LYS 70 5.114 -6.408 -6.408 530 1HE LYS 70 2HE LYS 70 2.555 -5.935 -5.935 531 2HE LYS 70 1HE LYS 70 2.984 -7.477 -7.477 532 1HZ LYS 70 2HZ LYS 70 5.011 -5.393 -5.393 533 2HZ LYS 70 1HZ LYS 70 3.636 -5.135 -5.135 534 3HZ LYS 70 3HZ LYS 70 4.569 -6.529 -6.529 535 H LYS 71 H LYS 71 5.901 -6.073 -6.073 536 HA LYS 71 HA LYS 71 7.034 -3.535 -3.535 537 1HB LYS 71 2HB LYS 71 8.351 -5.605 -5.605 538 2HB LYS 71 1HB LYS 71 7.703 -6.144 -6.144 539 1HG LYS 71 2HG LYS 71 8.823 -4.392 -4.392 540 2HG LYS 71 1HG LYS 71 9.310 -3.625 -3.625 541 1HD LYS 71 2HD LYS 71 10.443 -5.949 -5.949 542 2HD LYS 71 1HD LYS 71 10.365 -6.090 -6.090 543 1HE LYS 71 2HE LYS 71 11.378 -3.523 -3.523 544 2HE LYS 71 1HE LYS 71 12.400 -4.922 -4.922 545 1HZ LYS 71 3HZ LYS 71 11.370 -4.697 -4.697 546 2HZ LYS 71 2HZ LYS 71 12.507 -3.529 -3.529 547 3HZ LYS 71 1HZ LYS 71 12.902 -5.171 -5.171 548 H LEU 72 H LEU 72 4.652 -5.181 -5.181 549 HA LEU 72 HA LEU 72 5.243 -4.214 -4.214 550 1HB LEU 72 2HB LEU 72 3.645 -6.104 -6.104 551 2HB LEU 72 1HB LEU 72 2.467 -4.826 -4.826 552 HG LEU 72 HG LEU 72 3.825 -5.608 -5.608 553 1HD1 LEU 72 2HD1 LEU 72 1.764 -6.851 -6.851 554 2HD1 LEU 72 1HD1 LEU 72 0.888 -5.556 -5.556 555 3HD1 LEU 72 3HD1 LEU 72 1.907 -6.653 -6.653 556 1HD2 LEU 72 1HD2 LEU 72 1.990 -3.314 -3.314 557 2HD2 LEU 72 3HD2 LEU 72 3.597 -3.250 -3.250 558 3HD2 LEU 72 2HD2 LEU 72 2.241 -3.913 -3.913 559 H VAL 73 H VAL 73 2.474 -3.228 -3.228 560 HA VAL 73 HA VAL 73 2.351 -0.698 -0.698 561 HB VAL 73 HB VAL 73 0.318 -2.016 -2.016 562 1HG1 VAL 73 2HG1 VAL 73 1.137 -2.610 -2.610 563 2HG1 VAL 73 1HG1 VAL 73 0.839 -0.942 -0.942 564 3HG1 VAL 73 3HG1 VAL 73 -0.502 -1.961 -1.961 565 1HG2 VAL 73 2HG2 VAL 73 0.651 0.651 0.651 566 2HG2 VAL 73 1HG2 VAL 73 -0.913 -0.135 -0.135 567 3HG2 VAL 73 3HG2 VAL 73 -0.082 0.575 0.575 568 H LYS 74 H LYS 74 2.953 -1.758 -1.758 569 HA LYS 74 HA LYS 74 3.145 0.672 0.672 570 1HB LYS 74 2HB LYS 74 5.014 -1.655 -1.655 571 2HB LYS 74 1HB LYS 74 4.638 -0.375 -0.375 572 1HG LYS 74 2HG LYS 74 2.690 -2.420 -2.420 573 2HG LYS 74 1HG LYS 74 3.454 -2.431 -2.431 574 1HD LYS 74 2HD LYS 74 2.259 0.119 0.119 575 2HD LYS 74 1HD LYS 74 1.071 -1.112 -1.112 576 1HE LYS 74 2HE LYS 74 2.659 -1.281 -1.281 577 2HE LYS 74 1HE LYS 74 1.171 -0.339 -0.339 578 1HZ LYS 74 2HZ LYS 74 1.341 -3.211 -3.211 579 2HZ LYS 74 1HZ LYS 74 0.885 -2.658 -2.658 580 3HZ LYS 74 3HZ LYS 74 -0.059 -2.280 -2.280 581 H ALA 75 H ALA 75 5.605 -0.947 -0.947 582 HA ALA 75 HA ALA 75 7.688 0.894 0.894 583 1HB ALA 75 1HB ALA 75 7.190 -0.922 -0.922 584 2HB ALA 75 3HB ALA 75 8.688 -0.037 -0.037 585 3HB ALA 75 2HB ALA 75 8.166 -1.277 -1.277 586 H PHE 76 H PHE 76 4.970 0.888 0.888 587 HA PHE 76 HA PHE 76 5.814 2.865 2.865 588 1HB PHE 76 2HB PHE 76 3.701 1.318 1.318 589 2HB PHE 76 1HB PHE 76 2.945 2.656 2.656 590 HD1 PHE 76 HD2 PHE 76 4.399 1.556 1.556 591 HD2 PHE 76 HD1 PHE 76 2.507 4.757 4.757 592 HE1 PHE 76 HE2 PHE 76 3.988 2.694 2.694 593 HE2 PHE 76 HE1 PHE 76 2.096 5.900 5.900 594 HZ PHE 76 HZ PHE 76 2.837 4.866 4.866 595 H LYS 77 H LYS 77 4.088 3.100 3.100 596 HA LYS 77 HA LYS 77 3.796 5.930 5.930 597 1HB LYS 77 2HB LYS 77 3.740 4.115 4.115 598 2HB LYS 77 1HB LYS 77 3.069 5.737 5.737 599 1HG LYS 77 2HG LYS 77 1.139 4.869 4.869 600 2HG LYS 77 1HG LYS 77 1.916 4.247 4.247 601 1HD LYS 77 2HD LYS 77 1.996 2.139 2.139 602 2HD LYS 77 1HD LYS 77 2.389 2.665 2.665 603 1HE LYS 77 2HE LYS 77 -0.091 3.488 3.488 604 2HE LYS 77 1HE LYS 77 -0.279 2.328 2.328 605 1HZ LYS 77 2HZ LYS 77 0.811 1.667 1.667 606 2HZ LYS 77 1HZ LYS 77 -0.786 1.390 1.390 607 3HZ LYS 77 3HZ LYS 77 0.482 0.577 0.577 608 H LYS 78 H LYS 78 6.495 3.992 3.992 609 HA LYS 78 HA LYS 78 7.826 5.991 5.991 610 1HB LYS 78 2HB LYS 78 7.813 3.310 3.310 611 2HB LYS 78 1HB LYS 78 9.234 3.494 3.494 612 1HG LYS 78 2HG LYS 78 9.671 5.414 5.414 613 2HG LYS 78 1HG LYS 78 8.828 4.183 4.183 614 1HD LYS 78 2HD LYS 78 11.210 3.616 3.616 615 2HD LYS 78 1HD LYS 78 11.322 3.955 3.955 616 1HE LYS 78 2HE LYS 78 10.011 1.621 1.621 617 2HE LYS 78 1HE LYS 78 11.331 1.604 1.604 618 1HZ LYS 78 1HZ LYS 78 9.562 2.684 2.684 619 2HZ LYS 78 3HZ LYS 78 8.453 1.998 1.998 620 3HZ LYS 78 2HZ LYS 78 9.545 1.010 1.010 621 H LYS 79 H LYS 79 7.678 4.765 4.765 622 HA LYS 79 HA LYS 79 10.262 5.919 5.919 623 1HB LYS 79 2HB LYS 79 9.710 3.701 3.701 624 2HB LYS 79 1HB LYS 79 8.284 4.364 4.364 625 1HG LYS 79 2HG LYS 79 9.599 5.639 5.639 626 2HG LYS 79 1HG LYS 79 11.077 5.299 5.299 627 1HD LYS 79 2HD LYS 79 10.572 2.828 2.828 628 2HD LYS 79 1HD LYS 79 9.465 3.459 3.459 629 1HE LYS 79 2HE LYS 79 11.296 3.371 3.371 630 2HE LYS 79 1HE LYS 79 11.659 4.918 4.918 631 1HZ LYS 79 2HZ LYS 79 12.586 2.438 2.438 632 2HZ LYS 79 1HZ LYS 79 13.436 3.047 3.047 633 3HZ LYS 79 3HZ LYS 79 13.254 3.990 3.990 634 H PHE 80 H PHE 80 6.816 6.355 6.355 635 HA PHE 80 HA PHE 80 7.480 8.858 8.858 636 1HB PHE 80 2HB PHE 80 4.841 7.434 7.434 637 2HB PHE 80 1HB PHE 80 5.545 8.628 8.628 638 HD1 PHE 80 HD1 PHE 80 5.584 5.121 5.121 639 HD2 PHE 80 HD2 PHE 80 7.166 7.997 7.997 640 HE1 PHE 80 HE1 PHE 80 6.491 3.307 3.307 641 HE2 PHE 80 HE2 PHE 80 8.076 6.187 6.187 642 HZ PHE 80 HZ PHE 80 7.739 3.838 3.838 643 H ALA 81 H ALA 81 5.940 7.518 7.518 644 HA ALA 81 HA ALA 81 5.022 8.538 8.538 645 1HB ALA 81 2HB ALA 81 6.551 10.525 10.525 646 2HB ALA 81 1HB ALA 81 4.953 11.259 11.259 647 3HB ALA 81 3HB ALA 81 5.533 10.689 10.689 648 H CYS 82 H CYS 82 3.504 7.516 7.516 649 HA CYS 82 HA CYS 82 1.137 9.259 9.259 650 1HB CYS 82 2HB CYS 82 2.002 7.051 7.051 651 2HB CYS 82 1HB CYS 82 0.366 7.701 7.701 652 HG CYS 82 HG CYS 82 1.686 10.081 10.081 653 H ASN 83 H ASN 83 -0.947 7.723 7.723 654 HA ASN 83 HA ASN 83 -0.886 5.905 5.905 655 1HB ASN 83 2HB ASN 83 -2.506 7.436 7.436 656 2HB ASN 83 1HB ASN 83 -2.920 7.779 7.779 657 1HD2 ASN 83 2HD2 ASN 83 -5.261 5.150 5.150 658 2HD2 ASN 83 1HD2 ASN 83 -4.099 6.069 6.069 659 H GLY 84 H GLY 84 -0.883 3.809 3.809 660 1HA GLY 84 2HA GLY 84 -2.211 2.952 2.952 661 2HA GLY 84 1HA GLY 84 -0.715 2.237 2.237 662 H THR 85 H THR 85 -3.659 1.366 1.366 663 HA THR 85 HA THR 85 -3.898 -0.121 -0.121 664 HB THR 85 HB THR 85 -6.266 0.002 0.002 665 HG1 THR 85 HG1 THR 85 -7.379 0.678 0.678 666 1HG2 THR 85 1HG2 THR 85 -5.010 2.174 2.174 667 2HG2 THR 85 3HG2 THR 85 -5.603 2.744 2.744 668 3HG2 THR 85 2HG2 THR 85 -6.744 2.241 2.241 669 H VAL 86 H VAL 86 -5.220 -2.168 -2.168 670 HA VAL 86 HA VAL 86 -4.567 -3.448 -3.448 671 HB VAL 86 HB VAL 86 -3.143 -4.271 -4.271 672 1HG1 VAL 86 1HG1 VAL 86 -5.304 -3.964 -3.964 673 2HG1 VAL 86 3HG1 VAL 86 -5.285 -5.712 -5.712 674 3HG1 VAL 86 2HG1 VAL 86 -3.863 -4.892 -4.892 675 1HG2 VAL 86 2HG2 VAL 86 -4.088 -5.737 -5.737 676 2HG2 VAL 86 1HG2 VAL 86 -3.325 -6.536 -6.536 677 3HG2 VAL 86 3HG2 VAL 86 -5.083 -6.466 -6.466 678 H ILE 87 H ILE 87 -6.808 -2.611 -2.611 679 HA ILE 87 HA ILE 87 -9.033 -3.885 -3.885 680 HB ILE 87 HB ILE 87 -10.418 -2.812 -2.812 681 1HG1 ILE 87 2HG1 ILE 87 -8.225 -1.255 -1.255 682 2HG1 ILE 87 1HG1 ILE 87 -8.187 -2.965 -2.965 683 1HG2 ILE 87 2HG2 ILE 87 -9.749 -1.563 -1.563 684 2HG2 ILE 87 1HG2 ILE 87 -8.345 -0.941 -0.941 685 3HG2 ILE 87 3HG2 ILE 87 -9.971 -0.508 -0.508 686 1HD1 ILE 87 3HD1 ILE 87 -10.803 -1.639 -1.639 687 2HD1 ILE 87 2HD1 ILE 87 -9.557 -1.124 -1.124 688 3HD1 ILE 87 1HD1 ILE 87 -10.024 -2.822 -2.822 689 H GLU 88 H GLU 88 -10.461 -5.398 -5.398 690 HA GLU 88 HA GLU 88 -9.244 -7.099 -7.099 691 1HB GLU 88 2HB GLU 88 -9.984 -7.913 -7.913 692 2HB GLU 88 1HB GLU 88 -11.574 -7.985 -7.985 693 1HG GLU 88 2HG GLU 88 -10.521 -9.402 -9.402 694 2HG GLU 88 1HG GLU 88 -9.097 -9.496 -9.496 695 H HIS 89 H HIS 89 -10.019 -5.513 -5.513 696 HA HIS 89 HA HIS 89 -12.624 -4.782 -4.782 697 1HB HIS 89 2HB HIS 89 -10.321 -4.302 -4.302 698 2HB HIS 89 1HB HIS 89 -10.981 -5.500 -5.500 699 HD1 HIS 89 HD1 HIS 89 -12.566 -4.650 -4.650 700 HD2 HIS 89 HD2 HIS 89 -12.147 -2.020 -2.020 701 HE1 HIS 89 HE1 HIS 89 -13.891 -2.611 -2.611 702 HE2 HIS 89 HE2 HIS 89 -13.537 -0.991 -0.991 703 HA PRO 90 HA PRO 90 -14.551 -8.687 -8.687 704 1HB PRO 90 2HB PRO 90 -16.990 -7.751 -7.751 705 2HB PRO 90 1HB PRO 90 -16.420 -7.796 -7.796 706 1HG PRO 90 2HG PRO 90 -16.505 -5.493 -5.493 707 2HG PRO 90 1HG PRO 90 -16.942 -5.537 -5.537 708 1HD PRO 90 2HD PRO 90 -14.553 -4.591 -4.591 709 2HD PRO 90 1HD PRO 90 -14.760 -5.333 -5.333 710 H GLU 91 H GLU 91 -14.001 -6.082 -6.082 711 HA GLU 91 HA GLU 91 -15.104 -7.421 -7.421 712 1HB GLU 91 2HB GLU 91 -14.411 -4.761 -4.761 713 2HB GLU 91 1HB GLU 91 -13.417 -5.221 -5.221 714 1HG GLU 91 2HG GLU 91 -15.508 -4.148 -4.148 715 2HG GLU 91 1HG GLU 91 -15.378 -5.802 -5.802 716 H TYR 92 H TYR 92 -12.068 -7.135 -7.135 717 HA TYR 92 HA TYR 92 -10.795 -8.672 -8.672 718 1HB TYR 92 2HB TYR 92 -9.145 -6.919 -6.919 719 2HB TYR 92 1HB TYR 92 -8.842 -7.436 -7.436 720 HD1 TYR 92 HD1 TYR 92 -11.063 -6.612 -6.612 721 HD2 TYR 92 HD2 TYR 92 -9.311 -4.622 -4.622 722 HE1 TYR 92 HE1 TYR 92 -11.939 -4.470 -4.470 723 HE2 TYR 92 HE2 TYR 92 -10.179 -2.473 -2.473 724 HH TYR 92 HH TYR 92 -10.903 -1.479 -1.479 725 H GLY 93 H GLY 93 -10.438 -7.818 -7.818 726 1HA GLY 93 2HA GLY 93 -10.737 -10.050 -10.050 727 2HA GLY 93 1HA GLY 93 -9.246 -10.448 -10.448 728 H GLU 94 H GLU 94 -7.422 -10.005 -10.005 729 HA GLU 94 HA GLU 94 -7.530 -8.217 -8.217 730 1HB GLU 94 2HB GLU 94 -6.664 -10.643 -10.643 731 2HB GLU 94 1HB GLU 94 -5.236 -10.032 -10.032 732 1HG GLU 94 2HG GLU 94 -6.144 -8.599 -8.599 733 2HG GLU 94 1HG GLU 94 -5.400 -10.185 -10.185 734 H VAL 95 H VAL 95 -7.355 -6.215 -6.215 735 HA VAL 95 HA VAL 95 -4.787 -5.719 -5.719 736 HB VAL 95 HB VAL 95 -5.835 -3.927 -3.927 737 1HG1 VAL 95 1HG1 VAL 95 -7.275 -6.566 -6.566 738 2HG1 VAL 95 3HG1 VAL 95 -7.517 -5.293 -5.293 739 3HG1 VAL 95 2HG1 VAL 95 -5.924 -6.021 -6.021 740 1HG2 VAL 95 2HG2 VAL 95 -8.255 -4.606 -4.606 741 2HG2 VAL 95 1HG2 VAL 95 -7.462 -3.043 -3.043 742 3HG2 VAL 95 3HG2 VAL 95 -8.378 -3.744 -3.744 743 H ILE 96 H ILE 96 -3.514 -4.098 -4.098 744 HA ILE 96 HA ILE 96 -4.098 -2.986 -2.986 745 HB ILE 96 HB ILE 96 -1.794 -2.790 -2.790 746 1HG1 ILE 96 2HG1 ILE 96 -2.373 -4.529 -4.529 747 2HG1 ILE 96 1HG1 ILE 96 -0.726 -4.121 -4.121 748 1HG2 ILE 96 3HG2 ILE 96 -2.370 -0.900 -0.900 749 2HG2 ILE 96 2HG2 ILE 96 -0.709 -1.315 -1.315 750 3HG2 ILE 96 1HG2 ILE 96 -1.757 -0.559 -0.559 751 1HD1 ILE 96 3HD1 ILE 96 -2.051 -2.487 -2.487 752 2HD1 ILE 96 2HD1 ILE 96 -1.488 -4.107 -4.107 753 3HD1 ILE 96 1HD1 ILE 96 -0.350 -2.908 -2.908 754 H GLN 97 H GLN 97 -4.324 -0.755 -0.755 755 HA GLN 97 HA GLN 97 -5.238 0.896 0.896 756 1HB GLN 97 2HB GLN 97 -6.752 -0.058 -0.058 757 2HB GLN 97 1HB GLN 97 -6.521 1.661 1.661 758 1HG GLN 97 2HG GLN 97 -7.381 2.081 2.081 759 2HG GLN 97 1HG GLN 97 -7.732 0.358 0.358 760 1HE2 GLN 97 2HE2 GLN 97 -9.856 2.444 2.444 761 2HE2 GLN 97 1HE2 GLN 97 -8.166 2.730 2.730 762 H LEU 98 H LEU 98 -3.577 2.293 2.293 763 HA LEU 98 HA LEU 98 -2.361 3.538 3.538 764 1HB LEU 98 2HB LEU 98 -1.706 3.967 3.967 765 2HB LEU 98 1HB LEU 98 -0.750 4.467 4.467 766 HG LEU 98 HG LEU 98 -1.331 1.562 1.562 767 1HD1 LEU 98 2HD1 LEU 98 -0.326 2.892 2.892 768 2HD1 LEU 98 1HD1 LEU 98 1.159 2.651 2.651 769 3HD1 LEU 98 3HD1 LEU 98 0.188 1.261 1.261 770 1HD2 LEU 98 3HD2 LEU 98 0.526 3.248 3.248 771 2HD2 LEU 98 2HD2 LEU 98 -0.198 1.690 1.690 772 3HD2 LEU 98 1HD2 LEU 98 1.203 1.765 1.765 773 H GLN 99 H GLN 99 -2.177 5.851 5.851 774 HA GLN 99 HA GLN 99 -4.617 7.175 7.175 775 1HB GLN 99 2HB GLN 99 -2.969 7.335 7.335 776 2HB GLN 99 1HB GLN 99 -3.062 8.925 8.925 777 1HG GLN 99 2HG GLN 99 -5.492 7.262 7.262 778 2HG GLN 99 1HG GLN 99 -4.800 8.392 8.392 779 1HE2 GLN 99 2HE2 GLN 99 -5.743 11.290 11.290 780 2HE2 GLN 99 1HE2 GLN 99 -4.500 10.641 10.641 781 H GLY 100 H GLY 100 -4.678 9.016 9.016 782 1HA GLY 100 2HA GLY 100 -3.901 10.730 10.730 783 2HA GLY 100 1HA GLY 100 -2.272 10.391 10.391 784 H ASP 101 H ASP 101 -2.258 10.983 10.983 785 HA ASP 101 HA ASP 101 -2.758 8.697 8.697 786 1HB ASP 101 2HB ASP 101 -1.876 10.133 10.133 787 2HB ASP 101 1HB ASP 101 -3.157 10.927 10.927 788 H GLN 102 H GLN 102 -1.341 7.242 7.242 789 HA GLN 102 HA GLN 102 1.517 7.710 7.710 790 1HB GLN 102 2HB GLN 102 -0.239 5.848 5.848 791 2HB GLN 102 1HB GLN 102 1.339 5.227 5.227 792 1HG GLN 102 2HG GLN 102 1.061 6.339 6.339 793 2HG GLN 102 1HG GLN 102 2.470 6.750 6.750 794 1HE2 GLN 102 2HE2 GLN 102 -0.522 9.538 9.538 795 2HE2 GLN 102 1HE2 GLN 102 -0.881 7.863 7.863 796 H ARG 103 H ARG 103 -0.531 6.975 6.975 797 HA ARG 103 HA ARG 103 -0.090 4.490 4.490 798 1HB ARG 103 2HB ARG 103 -0.566 5.433 5.433 799 2HB ARG 103 1HB ARG 103 -1.600 6.184 6.184 800 1HG ARG 103 2HG ARG 103 0.087 8.072 8.072 801 2HG ARG 103 1HG ARG 103 0.796 7.353 7.353 802 1HD ARG 103 2HD ARG 103 -2.124 8.044 8.044 803 2HD ARG 103 1HD ARG 103 -0.913 9.212 9.212 804 HE ARG 103 HE ARG 103 -1.933 6.972 6.972 805 1HH1 ARG 103 2HH1 ARG 103 0.737 9.188 9.188 806 2HH1 ARG 103 1HH1 ARG 103 1.282 9.000 9.000 807 1HH2 ARG 103 1HH2 ARG 103 -1.218 6.721 6.721 808 2HH2 ARG 103 2HH2 ARG 103 0.172 7.599 7.599 809 H LYS 104 H LYS 104 2.132 7.162 7.162 810 HA LYS 104 HA LYS 104 4.074 5.714 5.714 811 1HB LYS 104 2HB LYS 104 4.039 8.565 8.565 812 2HB LYS 104 1HB LYS 104 5.372 7.855 7.855 813 1HG LYS 104 2HG LYS 104 2.555 8.275 8.275 814 2HG LYS 104 1HG LYS 104 4.002 9.146 9.146 815 1HD LYS 104 2HD LYS 104 3.442 6.209 6.209 816 2HD LYS 104 1HD LYS 104 3.379 7.469 7.469 817 1HE LYS 104 2HE LYS 104 5.869 7.864 7.864 818 2HE LYS 104 1HE LYS 104 5.706 6.137 6.137 819 1HZ LYS 104 1HZ LYS 104 4.731 6.491 6.491 820 2HZ LYS 104 3HZ LYS 104 6.105 7.478 7.478 821 3HZ LYS 104 2HZ LYS 104 6.229 5.830 5.830 822 H ASN 105 H ASN 105 3.353 6.573 6.573 823 HA ASN 105 HA ASN 105 6.058 6.171 6.171 824 1HB ASN 105 2HB ASN 105 3.446 6.935 6.935 825 2HB ASN 105 1HB ASN 105 4.650 6.197 6.197 826 1HD2 ASN 105 2HD2 ASN 105 4.902 10.044 10.044 827 2HD2 ASN 105 1HD2 ASN 105 3.522 9.046 9.046 828 H ILE 106 H ILE 106 3.019 4.366 4.366 829 HA ILE 106 HA ILE 106 3.881 2.255 2.255 830 HB ILE 106 HB ILE 106 1.503 2.676 2.676 831 1HG1 ILE 106 2HG1 ILE 106 0.837 0.372 0.372 832 2HG1 ILE 106 1HG1 ILE 106 2.322 -0.102 -0.102 833 1HG2 ILE 106 2HG2 ILE 106 1.867 3.130 3.130 834 2HG2 ILE 106 1HG2 ILE 106 2.008 1.388 1.388 835 3HG2 ILE 106 3HG2 ILE 106 0.501 2.079 2.079 836 1HD1 ILE 106 3HD1 ILE 106 2.206 1.030 1.030 837 2HD1 ILE 106 2HD1 ILE 106 2.259 -0.690 -0.690 838 3HD1 ILE 106 1HD1 ILE 106 3.612 0.353 0.353 839 H CYS 107 H CYS 107 3.718 2.487 2.487 840 HA CYS 107 HA CYS 107 4.857 -0.009 -0.009 841 1HB CYS 107 2HB CYS 107 4.912 2.616 2.616 842 2HB CYS 107 1HB CYS 107 5.665 1.159 1.159 843 HG CYS 107 HG CYS 107 3.165 0.099 0.099 844 H GLN 108 H GLN 108 6.201 3.047 3.047 845 HA GLN 108 HA GLN 108 8.950 2.378 2.378 846 1HB GLN 108 2HB GLN 108 8.603 4.668 4.668 847 2HB GLN 108 1HB GLN 108 7.424 4.608 4.608 848 1HG GLN 108 2HG GLN 108 9.145 5.622 5.622 849 2HG GLN 108 1HG GLN 108 9.520 3.941 3.941 850 1HE2 GLN 108 2HE2 GLN 108 12.375 3.795 3.795 851 2HE2 GLN 108 1HE2 GLN 108 11.082 2.867 2.867 852 H PHE 109 H PHE 109 6.650 2.180 2.180 853 HA PHE 109 HA PHE 109 8.539 1.495 1.495 854 1HB PHE 109 2HB PHE 109 6.373 2.453 2.453 855 2HB PHE 109 1HB PHE 109 5.544 1.084 1.084 856 HD1 PHE 109 HD2 PHE 109 8.098 1.816 1.816 857 HD2 PHE 109 HD1 PHE 109 4.852 -0.633 -0.633 858 HE1 PHE 109 HE2 PHE 109 8.160 0.634 0.634 859 HE2 PHE 109 HE1 PHE 109 4.909 -1.819 -1.819 860 HZ PHE 109 HZ PHE 109 6.563 -1.185 -1.185 861 H LEU 110 H LEU 110 6.308 -0.348 -0.348 862 HA LEU 110 HA LEU 110 6.779 -2.890 -2.890 863 1HB LEU 110 2HB LEU 110 5.832 -1.831 -1.831 864 2HB LEU 110 1HB LEU 110 6.273 -3.523 -3.523 865 HG LEU 110 HG LEU 110 4.528 -4.040 -4.040 866 1HD1 LEU 110 2HD1 LEU 110 4.428 -1.100 -1.100 867 2HD1 LEU 110 1HD1 LEU 110 3.152 -2.222 -2.222 868 3HD1 LEU 110 3HD1 LEU 110 4.789 -2.436 -2.436 869 1HD2 LEU 110 2HD2 LEU 110 3.734 -3.493 -3.493 870 2HD2 LEU 110 1HD2 LEU 110 2.519 -3.142 -3.142 871 3HD2 LEU 110 3HD2 LEU 110 3.452 -1.829 -1.829 872 H VAL 111 H VAL 111 8.655 -0.932 -0.932 873 HA VAL 111 HA VAL 111 10.450 -3.139 -3.139 874 HB VAL 111 HB VAL 111 10.588 -0.247 -0.247 875 1HG1 VAL 111 2HG1 VAL 111 12.134 -2.699 -2.699 876 2HG1 VAL 111 1HG1 VAL 111 12.026 -1.279 -1.279 877 3HG1 VAL 111 3HG1 VAL 111 12.749 -1.144 -1.144 878 1HG2 VAL 111 2HG2 VAL 111 8.561 -1.641 -1.641 879 2HG2 VAL 111 1HG2 VAL 111 9.484 -0.826 -0.826 880 3HG2 VAL 111 3HG2 VAL 111 9.703 -2.555 -2.555 881 H GLU 112 H GLU 112 10.324 -0.249 -0.249 882 HA GLU 112 HA GLU 112 13.102 -0.122 -0.122 883 1HB GLU 112 2HB GLU 112 10.642 1.044 1.044 884 2HB GLU 112 1HB GLU 112 12.231 1.248 1.248 885 1HG GLU 112 2HG GLU 112 12.257 1.908 1.908 886 2HG GLU 112 1HG GLU 112 11.054 2.848 2.848 887 H ILE 113 H ILE 113 10.408 -1.895 -1.895 888 HA ILE 113 HA ILE 113 12.088 -2.878 -2.878 889 HB ILE 113 HB ILE 113 10.120 -3.575 -3.575 890 1HG1 ILE 113 2HG1 ILE 113 8.664 -3.017 -3.017 891 2HG1 ILE 113 1HG1 ILE 113 8.886 -4.582 -4.582 892 1HG2 ILE 113 3HG2 ILE 113 10.650 -1.005 -1.005 893 2HG2 ILE 113 2HG2 ILE 113 9.038 -1.063 -1.063 894 3HG2 ILE 113 1HG2 ILE 113 9.276 -1.538 -1.538 895 1HD1 ILE 113 1HD1 ILE 113 7.598 -2.793 -2.793 896 2HD1 ILE 113 3HD1 ILE 113 6.739 -2.807 -2.807 897 3HD1 ILE 113 2HD1 ILE 113 7.019 -4.316 -4.316 898 H GLY 114 H GLY 114 10.537 -3.827 -3.827 899 1HA GLY 114 2HA GLY 114 11.149 -5.747 -5.747 900 2HA GLY 114 1HA GLY 114 11.752 -6.479 -6.479 901 H LEU 115 H LEU 115 8.634 -4.931 -4.931 902 HA LEU 115 HA LEU 115 7.304 -7.287 -7.287 903 1HB LEU 115 2HB LEU 115 6.810 -4.636 -4.636 904 2HB LEU 115 1HB LEU 115 5.699 -5.049 -5.049 905 HG LEU 115 HG LEU 115 4.531 -6.603 -6.603 906 1HD1 LEU 115 2HD1 LEU 115 6.849 -6.211 -6.211 907 2HD1 LEU 115 1HD1 LEU 115 5.279 -6.719 -6.719 908 3HD1 LEU 115 3HD1 LEU 115 6.117 -7.709 -7.709 909 1HD2 LEU 115 2HD2 LEU 115 4.494 -3.925 -3.925 910 2HD2 LEU 115 1HD2 LEU 115 3.400 -5.054 -5.054 911 3HD2 LEU 115 3HD2 LEU 115 4.840 -4.480 -4.480 912 H ALA 116 H ALA 116 6.499 -5.259 -5.259 913 HA ALA 116 HA ALA 116 5.400 -7.591 -7.591 914 1HB ALA 116 1HB ALA 116 4.187 -5.419 -5.419 915 2HB ALA 116 3HB ALA 116 5.477 -4.733 -4.733 916 3HB ALA 116 2HB ALA 116 4.484 -6.045 -6.045 917 H LYS 117 H LYS 117 5.833 -7.045 -7.045 918 HA LYS 117 HA LYS 117 8.765 -7.228 -7.228 919 1HB LYS 117 2HB LYS 117 6.571 -8.815 -8.815 920 2HB LYS 117 1HB LYS 117 8.068 -8.565 -8.565 921 1HG LYS 117 2HG LYS 117 8.462 -9.439 -9.439 922 2HG LYS 117 1HG LYS 117 7.590 -10.597 -10.597 923 1HD LYS 117 2HD LYS 117 9.661 -11.262 -11.262 924 2HD LYS 117 1HD LYS 117 9.585 -9.876 -9.876 925 1HE LYS 117 2HE LYS 117 11.116 -8.719 -8.719 926 2HE LYS 117 1HE LYS 117 10.464 -9.238 -9.238 927 1HZ LYS 117 1HZ LYS 117 12.072 -11.020 -11.020 928 2HZ LYS 117 3HZ LYS 117 12.764 -10.037 -10.037 929 3HZ LYS 117 2HZ LYS 117 11.664 -11.246 -11.246 930 H ASP 118 H ASP 118 9.743 -6.180 -6.180 931 HA ASP 118 HA ASP 118 8.647 -3.772 -3.772 932 1HB ASP 118 2HB ASP 118 10.716 -5.268 -5.268 933 2HB ASP 118 1HB ASP 118 10.511 -3.525 -3.525 934 H ASP 119 H ASP 119 8.408 -6.950 -6.950 935 HA ASP 119 HA ASP 119 7.254 -5.980 -5.980 936 1HB ASP 119 2HB ASP 119 6.946 -8.343 -8.343 937 2HB ASP 119 1HB ASP 119 8.583 -8.051 -8.051 938 H GLN 120 H GLN 120 6.149 -6.771 -6.771 939 HA GLN 120 HA GLN 120 3.405 -7.225 -7.225 940 1HB GLN 120 2HB GLN 120 4.733 -7.152 -7.152 941 2HB GLN 120 1HB GLN 120 3.004 -7.359 -7.359 942 1HG GLN 120 2HG GLN 120 3.462 -9.398 -9.398 943 2HG GLN 120 1HG GLN 120 5.175 -9.208 -9.208 944 1HE2 GLN 120 2HE2 GLN 120 2.668 -9.973 -9.973 945 2HE2 GLN 120 1HE2 GLN 120 2.191 -8.898 -8.898 946 H LEU 121 H LEU 121 5.375 -4.588 -4.588 947 HA LEU 121 HA LEU 121 3.867 -2.823 -2.823 948 1HB LEU 121 2HB LEU 121 5.670 -2.369 -2.369 949 2HB LEU 121 1HB LEU 121 4.921 -1.038 -1.038 950 HG LEU 121 HG LEU 121 6.628 -3.075 -3.075 951 1HD1 LEU 121 2HD1 LEU 121 7.462 -0.634 -0.634 952 2HD1 LEU 121 1HD1 LEU 121 8.404 -1.237 -1.237 953 3HD1 LEU 121 3HD1 LEU 121 8.144 -2.260 -2.260 954 1HD2 LEU 121 3HD2 LEU 121 5.057 -0.865 -0.865 955 2HD2 LEU 121 2HD2 LEU 121 6.097 -1.896 -1.896 956 3HD2 LEU 121 1HD2 LEU 121 6.750 -0.437 -0.437 957 H LYS 122 H LYS 122 1.662 -3.006 -3.006 958 HA LYS 122 HA LYS 122 0.688 -2.082 -2.082 959 1HB LYS 122 2HB LYS 122 -0.217 -4.199 -4.199 960 2HB LYS 122 1HB LYS 122 -1.500 -3.201 -3.201 961 1HG LYS 122 2HG LYS 122 0.586 -4.622 -4.622 962 2HG LYS 122 1HG LYS 122 -1.037 -5.238 -5.238 963 1HD LYS 122 2HD LYS 122 -1.939 -3.930 -3.930 964 2HD LYS 122 1HD LYS 122 -1.060 -2.510 -2.510 965 1HE LYS 122 2HE LYS 122 0.980 -3.665 -3.665 966 2HE LYS 122 1HE LYS 122 -0.260 -4.550 -4.550 967 1HZ LYS 122 1HZ LYS 122 -1.185 -2.124 -2.124 968 2HZ LYS 122 3HZ LYS 122 0.442 -1.714 -1.714 969 3HZ LYS 122 2HZ LYS 122 -0.002 -2.768 -2.768 970 H VAL 123 H VAL 123 0.895 0.125 0.125 971 HA VAL 123 HA VAL 123 -0.759 1.037 1.037 972 HB VAL 123 HB VAL 123 1.516 1.953 1.953 973 1HG1 VAL 123 1HG1 VAL 123 1.071 1.999 1.999 974 2HG1 VAL 123 3HG1 VAL 123 0.856 3.700 3.700 975 3HG1 VAL 123 2HG1 VAL 123 2.364 2.878 2.878 976 1HG2 VAL 123 1HG2 VAL 123 -0.923 3.588 3.588 977 2HG2 VAL 123 3HG2 VAL 123 0.410 3.516 3.516 978 3HG2 VAL 123 2HG2 VAL 123 0.567 4.476 4.476 979 H HIS 124 H HIS 124 -2.754 1.792 1.792 980 HA HIS 124 HA HIS 124 -3.481 2.885 2.885 981 1HB HIS 124 2HB HIS 124 -5.314 1.177 1.177 982 2HB HIS 124 1HB HIS 124 -5.601 1.765 1.765 983 HD1 HIS 124 HD1 HIS 124 -4.995 0.207 0.207 984 HD2 HIS 124 HD2 HIS 124 -3.077 -0.745 -0.745 985 HE1 HIS 124 HE1 HIS 124 -3.770 -1.941 -1.941 986 HE2 HIS 124 HE2 HIS 124 -2.767 -2.581 -2.581 987 H GLY 125 H GLY 125 -3.197 4.984 4.984 988 1HA GLY 125 2HA GLY 125 -4.499 5.899 5.899 989 2HA GLY 125 1HA GLY 125 -3.875 6.913 6.913 990 H PHE 126 HN PHE 126 -6.578 6.221 6.221 991 HA PHE 126 HA PHE 126 -8.665 5.781 5.781 992 1HB PHE 126 2HB PHE 126 -10.075 6.872 6.872 993 2HB PHE 126 1HB PHE 126 -8.734 6.224 6.224 994 HD1 PHE 126 HD2 PHE 126 -6.630 8.129 8.129 995 HD2 PHE 126 HD1 PHE 126 -10.823 8.817 8.817 996 HE1 PHE 126 HE2 PHE 126 -6.206 10.366 10.366 997 HE2 PHE 126 HE1 PHE 126 -10.405 11.056 11.056 998 HZ PHE 126 HZ PHE 126 -8.094 11.833 11.833 Start of MODEL 4 1 1H MET 1 3H MET 1 48.485 -41.027 -41.027 2 2H MET 1 2H MET 1 48.741 -39.500 -39.500 3 3H MET 1 1H MET 1 47.167 -39.956 -39.956 4 HA MET 1 HA MET 1 47.261 -40.185 -40.185 5 1HB MET 1 2HB MET 1 48.991 -41.803 -41.803 6 2HB MET 1 1HB MET 1 49.589 -40.239 -40.239 7 1HG MET 1 2HG MET 1 49.628 -42.479 -42.479 8 2HG MET 1 1HG MET 1 50.800 -42.499 -42.499 9 1HE MET 1 3HE MET 1 52.442 -42.737 -42.737 10 2HE MET 1 2HE MET 1 53.447 -41.341 -41.341 11 3HE MET 1 1HE MET 1 52.321 -41.981 -41.981 12 H ARG 2 H ARG 2 45.301 -41.145 -41.145 13 HA ARG 2 HA ARG 2 45.171 -43.962 -43.962 14 1HB ARG 2 2HB ARG 2 45.431 -43.084 -43.084 15 2HB ARG 2 1HB ARG 2 43.820 -43.750 -43.750 16 1HG ARG 2 2HG ARG 2 44.580 -45.853 -45.853 17 2HG ARG 2 1HG ARG 2 46.041 -45.328 -45.328 18 1HD ARG 2 2HD ARG 2 47.055 -44.678 -44.678 19 2HD ARG 2 1HD ARG 2 45.570 -45.055 -45.055 20 HE ARG 2 HE ARG 2 46.426 -47.346 -47.346 21 1HH1 ARG 2 2HH1 ARG 2 47.365 -45.339 -45.339 22 2HH1 ARG 2 1HH1 ARG 2 48.155 -46.627 -46.627 23 1HH2 ARG 2 1HH2 ARG 2 47.465 -49.042 -49.042 24 2HH2 ARG 2 2HH2 ARG 2 48.214 -48.729 -48.729 25 H GLY 3 H GLY 3 43.934 -42.683 -42.683 26 1HA GLY 3 2HA GLY 3 41.476 -41.436 -41.436 27 2HA GLY 3 1HA GLY 3 41.956 -41.926 -41.926 28 H SER 4 H SER 4 39.971 -42.598 -42.598 29 HA SER 4 HA SER 4 39.149 -45.152 -45.152 30 1HB SER 4 2HB SER 4 38.353 -45.803 -45.803 31 2HB SER 4 1HB SER 4 40.101 -45.598 -45.598 32 HG SER 4 HG SER 4 39.953 -44.108 -44.108 33 H HIS 5 H HIS 5 37.958 -42.444 -42.444 34 HA HIS 5 HA HIS 5 35.226 -42.972 -42.972 35 1HB HIS 5 2HB HIS 5 36.376 -41.818 -41.818 36 2HB HIS 5 1HB HIS 5 35.746 -40.424 -40.424 37 HD1 HIS 5 HD1 HIS 5 33.347 -39.918 -39.918 38 HD2 HIS 5 HD2 HIS 5 34.276 -43.854 -43.854 39 HE1 HIS 5 HE1 HIS 5 31.245 -40.884 -40.884 40 HE2 HIS 5 HE2 HIS 5 31.856 -43.242 -43.242 41 H HIS 6 H HIS 6 37.793 -40.734 -40.734 42 HA HIS 6 HA HIS 6 36.256 -39.842 -39.842 43 1HB HIS 6 2HB HIS 6 37.291 -37.990 -37.990 44 2HB HIS 6 1HB HIS 6 36.940 -37.436 -37.436 45 HD1 HIS 6 HD1 HIS 6 35.333 -38.349 -38.349 46 HD2 HIS 6 HD2 HIS 6 34.171 -37.489 -37.489 47 HE1 HIS 6 HE1 HIS 6 32.854 -37.940 -37.940 48 HE2 HIS 6 HE2 HIS 6 32.189 -37.337 -37.337 49 H HIS 7 H HIS 7 37.515 -39.139 -39.139 50 HA HIS 7 HA HIS 7 40.249 -40.053 -40.053 51 1HB HIS 7 2HB HIS 7 38.438 -38.968 -38.968 52 2HB HIS 7 1HB HIS 7 40.155 -39.214 -39.214 53 HD1 HIS 7 HD1 HIS 7 40.371 -41.921 -41.921 54 HD2 HIS 7 HD2 HIS 7 37.531 -41.033 -41.033 55 HE1 HIS 7 HE1 HIS 7 39.584 -44.144 -44.144 56 HE2 HIS 7 HE2 HIS 7 37.928 -43.579 -43.579 57 H HIS 8 H HIS 8 38.853 -37.010 -37.010 58 HA HIS 8 HA HIS 8 40.822 -35.471 -35.471 59 1HB HIS 8 2HB HIS 8 40.917 -35.886 -35.886 60 2HB HIS 8 1HB HIS 8 41.221 -34.255 -34.255 61 HD1 HIS 8 HD1 HIS 8 43.130 -36.853 -36.853 62 HD2 HIS 8 HD2 HIS 8 43.169 -34.764 -34.764 63 HE1 HIS 8 HE1 HIS 8 45.430 -37.199 -37.199 64 HE2 HIS 8 HE2 HIS 8 45.459 -35.853 -35.853 65 H HIS 9 H HIS 9 40.129 -33.446 -33.446 66 HA HIS 9 HA HIS 9 37.482 -32.688 -32.688 67 1HB HIS 9 2HB HIS 9 37.916 -33.093 -33.093 68 2HB HIS 9 1HB HIS 9 38.730 -31.533 -31.533 69 HD1 HIS 9 HD1 HIS 9 37.271 -29.443 -29.443 70 HD2 HIS 9 HD2 HIS 9 35.113 -32.990 -32.990 71 HE1 HIS 9 HE1 HIS 9 34.860 -28.772 -28.772 72 HE2 HIS 9 HE2 HIS 9 33.579 -30.943 -30.943 73 H HIS 10 H HIS 10 37.639 -31.255 -31.255 74 HA HIS 10 HA HIS 10 38.179 -29.386 -29.386 75 1HB HIS 10 2HB HIS 10 37.847 -28.493 -28.493 76 2HB HIS 10 1HB HIS 10 39.545 -28.083 -28.083 77 HD1 HIS 10 HD1 HIS 10 36.827 -27.830 -27.830 78 HD2 HIS 10 HD2 HIS 10 39.338 -25.388 -25.388 79 HE1 HIS 10 HE1 HIS 10 36.503 -25.512 -25.512 80 HE2 HIS 10 HE2 HIS 10 37.971 -24.040 -24.040 81 H THR 11 H THR 11 39.882 -28.542 -28.542 82 HA THR 11 HA THR 11 42.477 -29.819 -29.819 83 HB THR 11 HB THR 11 42.786 -28.992 -28.992 84 HG1 THR 11 HG1 THR 11 40.819 -29.063 -29.063 85 1HG2 THR 11 1HG2 THR 11 42.827 -31.343 -31.343 86 2HG2 THR 11 3HG2 THR 11 41.065 -31.374 -31.374 87 3HG2 THR 11 2HG2 THR 11 42.003 -31.107 -31.107 88 H ASP 12 H ASP 12 41.811 -27.527 -27.527 89 HA ASP 12 HA ASP 12 44.081 -25.924 -25.924 90 1HB ASP 12 2HB ASP 12 42.561 -25.141 -25.141 91 2HB ASP 12 1HB ASP 12 41.506 -24.482 -24.482 92 HA PRO 13 HA PRO 13 41.891 -25.775 -25.775 93 1HB PRO 13 2HB PRO 13 43.948 -26.808 -26.808 94 2HB PRO 13 1HB PRO 13 42.705 -27.810 -27.810 95 1HG PRO 13 2HG PRO 13 45.469 -27.176 -27.176 96 2HG PRO 13 1HG PRO 13 44.612 -28.728 -28.728 97 1HD PRO 13 2HD PRO 13 44.830 -27.182 -27.182 98 2HD PRO 13 1HD PRO 13 43.409 -28.199 -28.199 99 H MET 14 H MET 14 45.112 -24.914 -24.914 100 HA MET 14 HA MET 14 45.825 -23.202 -23.202 101 1HB MET 14 2HB MET 14 46.664 -23.132 -23.132 102 2HB MET 14 1HB MET 14 47.444 -22.233 -22.233 103 1HG MET 14 2HG MET 14 47.191 -25.139 -25.139 104 2HG MET 14 1HG MET 14 48.279 -24.625 -24.625 105 1HE MET 14 1HE MET 14 49.678 -26.121 -26.121 106 2HE MET 14 3HE MET 14 51.045 -25.008 -25.008 107 3HE MET 14 2HE MET 14 50.519 -25.709 -25.709 108 H SER 15 H SER 15 43.795 -22.754 -22.754 109 HA SER 15 HA SER 15 43.759 -19.915 -19.915 110 1HB SER 15 2HB SER 15 42.057 -22.039 -22.039 111 2HB SER 15 1HB SER 15 41.509 -20.362 -20.362 112 HG SER 15 HG SER 15 44.013 -21.275 -21.275 113 H ALA 16 H ALA 16 41.962 -22.386 -22.386 114 HA ALA 16 HA ALA 16 40.473 -20.269 -20.269 115 1HB ALA 16 2HB ALA 16 39.558 -22.886 -22.886 116 2HB ALA 16 1HB ALA 16 38.833 -22.293 -22.293 117 3HB ALA 16 3HB ALA 16 38.740 -21.324 -21.324 118 H ILE 17 H ILE 17 42.270 -20.218 -20.218 119 HA ILE 17 HA ILE 17 42.394 -22.553 -22.553 120 HB ILE 17 HB ILE 17 44.387 -20.296 -20.296 121 1HG1 ILE 17 2HG1 ILE 17 44.690 -22.998 -22.998 122 2HG1 ILE 17 1HG1 ILE 17 44.177 -21.557 -21.557 123 1HG2 ILE 17 1HG2 ILE 17 44.015 -22.145 -22.145 124 2HG2 ILE 17 3HG2 ILE 17 45.143 -23.004 -23.004 125 3HG2 ILE 17 2HG2 ILE 17 45.581 -21.430 -21.430 126 1HD1 ILE 17 3HD1 ILE 17 46.625 -21.195 -21.195 127 2HD1 ILE 17 2HD1 ILE 17 46.745 -22.401 -22.401 128 3HD1 ILE 17 1HD1 ILE 17 46.253 -20.752 -20.752 129 H GLN 18 H GLN 18 40.421 -21.865 -21.865 130 HA GLN 18 HA GLN 18 40.817 -19.572 -19.572 131 1HB GLN 18 2HB GLN 18 38.130 -20.705 -20.705 132 2HB GLN 18 1HB GLN 18 38.494 -19.145 -19.145 133 1HG GLN 18 2HG GLN 18 39.277 -19.947 -19.947 134 2HG GLN 18 1HG GLN 18 37.823 -19.036 -19.036 135 1HE2 GLN 18 2HE2 GLN 18 40.914 -16.939 -16.939 136 2HE2 GLN 18 1HE2 GLN 18 40.385 -18.452 -18.452 137 H ASN 19 H ASN 19 38.860 -20.002 -20.002 138 HA ASN 19 HA ASN 19 39.480 -22.651 -22.651 139 1HB ASN 19 2HB ASN 19 39.308 -20.008 -20.008 140 2HB ASN 19 1HB ASN 19 39.448 -21.578 -21.578 141 1HD2 ASN 19 2HD2 ASN 19 42.738 -19.698 -19.698 142 2HD2 ASN 19 1HD2 ASN 19 41.181 -19.036 -19.036 143 H LEU 20 H LEU 20 37.457 -23.325 -23.325 144 HA LEU 20 HA LEU 20 34.992 -22.117 -22.117 145 1HB LEU 20 2HB LEU 20 35.297 -23.400 -23.400 146 2HB LEU 20 1HB LEU 20 35.477 -24.863 -24.863 147 HG LEU 20 HG LEU 20 33.161 -24.500 -24.500 148 1HD1 LEU 20 3HD1 LEU 20 33.013 -22.099 -22.099 149 2HD1 LEU 20 2HD1 LEU 20 33.075 -22.380 -22.380 150 3HD1 LEU 20 1HD1 LEU 20 31.700 -22.961 -22.961 151 1HD2 LEU 20 3HD2 LEU 20 33.934 -25.820 -25.820 152 2HD2 LEU 20 2HD2 LEU 20 32.231 -25.658 -25.658 153 3HD2 LEU 20 1HD2 LEU 20 32.936 -24.608 -24.608 154 H HIS 21 H HIS 21 34.180 -22.229 -22.229 155 HA HIS 21 HA HIS 21 34.586 -24.704 -24.704 156 1HB HIS 21 2HB HIS 21 34.805 -21.845 -21.845 157 2HB HIS 21 1HB HIS 21 34.063 -22.921 -22.921 158 HD1 HIS 21 HD1 HIS 21 35.745 -23.620 -23.620 159 HD2 HIS 21 HD2 HIS 21 37.376 -23.318 -23.318 160 HE1 HIS 21 HE1 HIS 21 38.154 -24.301 -24.301 161 HE2 HIS 21 HE2 HIS 21 39.098 -24.192 -24.192 162 H SER 22 H SER 22 32.873 -25.207 -25.207 163 HA SER 22 HA SER 22 30.704 -25.644 -25.644 164 1HB SER 22 2HB SER 22 30.212 -22.878 -22.878 165 2HB SER 22 1HB SER 22 29.091 -23.793 -23.793 166 HG SER 22 HG SER 22 30.211 -23.280 -23.280 167 H PHE 23 H PHE 23 29.677 -27.168 -27.168 168 HA PHE 23 HA PHE 23 29.266 -26.864 -26.864 169 1HB PHE 23 2HB PHE 23 29.781 -29.062 -29.062 170 2HB PHE 23 1HB PHE 23 28.233 -29.342 -29.342 171 HD1 PHE 23 HD1 PHE 23 28.196 -29.006 -29.006 172 HD2 PHE 23 HD2 PHE 23 31.735 -29.623 -29.623 173 HE1 PHE 23 HE1 PHE 23 29.367 -29.757 -29.757 174 HE2 PHE 23 HE2 PHE 23 32.913 -30.375 -30.375 175 HZ PHE 23 HZ PHE 23 31.730 -30.442 -30.442 176 H ASP 24 H ASP 24 27.305 -26.718 -26.718 177 HA ASP 24 HA ASP 24 25.089 -26.288 -26.288 178 1HB ASP 24 2HB ASP 24 25.189 -28.594 -28.594 179 2HB ASP 24 1HB ASP 24 24.273 -27.584 -27.584 180 HA PRO 25 HA PRO 25 25.577 -22.848 -22.848 181 1HB PRO 25 2HB PRO 25 25.086 -21.256 -21.256 182 2HB PRO 25 1HB PRO 25 26.303 -21.034 -21.034 183 1HG PRO 25 2HG PRO 25 26.970 -21.961 -21.961 184 2HG PRO 25 1HG PRO 25 27.758 -22.566 -22.566 185 1HD PRO 25 2HD PRO 25 25.626 -23.835 -23.835 186 2HD PRO 25 1HD PRO 25 27.025 -24.580 -24.580 187 H PHE 26 H PHE 26 23.305 -23.581 -23.581 188 HA PHE 26 HA PHE 26 21.187 -22.209 -22.209 189 1HB PHE 26 2HB PHE 26 19.942 -22.389 -22.389 190 2HB PHE 26 1HB PHE 26 21.192 -21.164 -21.164 191 HD1 PHE 26 HD2 PHE 26 23.481 -21.622 -21.622 192 HD2 PHE 26 HD1 PHE 26 20.097 -24.044 -24.044 193 HE1 PHE 26 HE2 PHE 26 24.647 -22.515 -22.515 194 HE2 PHE 26 HE1 PHE 26 21.257 -24.942 -24.942 195 HZ PHE 26 HZ PHE 26 23.536 -24.177 -24.177 196 H ALA 27 H ALA 27 21.912 -24.654 -24.654 197 HA ALA 27 HA ALA 27 20.293 -26.728 -26.728 198 1HB ALA 27 2HB ALA 27 22.293 -26.540 -26.540 199 2HB ALA 27 1HB ALA 27 21.029 -27.744 -27.744 200 3HB ALA 27 3HB ALA 27 22.028 -27.804 -27.804 201 H ASP 28 H ASP 28 18.301 -25.360 -25.360 202 HA ASP 28 HA ASP 28 16.636 -26.333 -26.333 203 1HB ASP 28 2HB ASP 28 16.159 -24.147 -24.147 204 2HB ASP 28 1HB ASP 28 17.732 -24.848 -24.848 205 H ALA 29 H ALA 29 15.242 -26.741 -26.741 206 HA ALA 29 HA ALA 29 13.833 -24.394 -24.394 207 1HB ALA 29 1HB ALA 29 15.104 -26.575 -26.575 208 2HB ALA 29 3HB ALA 29 13.663 -25.755 -25.755 209 3HB ALA 29 2HB ALA 29 15.128 -24.832 -24.832 210 H SER 30 H SER 30 11.826 -25.298 -25.298 211 HA SER 30 HA SER 30 10.677 -27.736 -27.736 212 1HB SER 30 2HB SER 30 10.486 -25.702 -25.702 213 2HB SER 30 1HB SER 30 8.952 -25.581 -25.581 214 HG SER 30 HG SER 30 8.849 -27.954 -27.954 215 H LYS 31 H LYS 31 8.012 -27.252 -27.252 216 HA LYS 31 HA LYS 31 7.686 -27.157 -27.157 217 1HB LYS 31 2HB LYS 31 6.121 -27.896 -27.896 218 2HB LYS 31 1HB LYS 31 5.303 -26.445 -26.445 219 1HG LYS 31 2HG LYS 31 4.645 -27.394 -27.394 220 2HG LYS 31 1HG LYS 31 6.069 -28.431 -28.431 221 1HD LYS 31 2HD LYS 31 5.178 -29.922 -29.922 222 2HD LYS 31 1HD LYS 31 3.828 -28.831 -28.831 223 1HE LYS 31 2HE LYS 31 2.726 -30.167 -30.167 224 2HE LYS 31 1HE LYS 31 3.550 -29.206 -29.206 225 1HZ LYS 31 3HZ LYS 31 5.395 -30.978 -30.978 226 2HZ LYS 31 2HZ LYS 31 4.151 -31.928 -31.928 227 3HZ LYS 31 1HZ LYS 31 4.036 -31.340 -31.340 228 H GLY 32 H GLY 32 6.286 -25.624 -25.624 229 1HA GLY 32 2HA GLY 32 7.270 -22.954 -22.954 230 2HA GLY 32 1HA GLY 32 6.148 -23.500 -23.500 231 H ASP 33 H ASP 33 6.338 -22.690 -22.690 232 HA ASP 33 HA ASP 33 3.862 -21.209 -21.209 233 1HB ASP 33 2HB ASP 33 3.291 -23.662 -23.662 234 2HB ASP 33 1HB ASP 33 4.004 -23.362 -23.362 235 H ASP 34 H ASP 34 5.398 -19.521 -19.521 236 HA ASP 34 HA ASP 34 6.961 -19.438 -19.438 237 1HB ASP 34 2HB ASP 34 7.092 -17.971 -17.971 238 2HB ASP 34 1HB ASP 34 5.881 -16.972 -16.972 239 H LEU 35 H LEU 35 3.741 -18.154 -18.154 240 HA LEU 35 HA LEU 35 3.329 -16.932 -16.932 241 1HB LEU 35 2HB LEU 35 1.501 -17.785 -17.785 242 2HB LEU 35 1HB LEU 35 0.857 -17.146 -17.146 243 HG LEU 35 HG LEU 35 2.923 -15.572 -15.572 244 1HD1 LEU 35 1HD1 LEU 35 0.143 -16.103 -16.103 245 2HD1 LEU 35 3HD1 LEU 35 0.725 -14.441 -14.441 246 3HD1 LEU 35 2HD1 LEU 35 1.580 -15.727 -15.727 247 1HD2 LEU 35 3HD2 LEU 35 0.761 -15.076 -15.076 248 2HD2 LEU 35 2HD2 LEU 35 2.440 -14.536 -14.536 249 3HD2 LEU 35 1HD2 LEU 35 1.267 -13.767 -13.767 250 H LEU 36 H LEU 36 3.400 -18.064 -18.064 251 HA LEU 36 HA LEU 36 2.342 -20.779 -20.779 252 1HB LEU 36 2HB LEU 36 4.153 -19.149 -19.149 253 2HB LEU 36 1HB LEU 36 3.199 -20.376 -20.376 254 HG LEU 36 HG LEU 36 4.151 -22.095 -22.095 255 1HD1 LEU 36 1HD1 LEU 36 5.758 -19.801 -19.801 256 2HD1 LEU 36 3HD1 LEU 36 6.087 -21.505 -21.505 257 3HD1 LEU 36 2HD1 LEU 36 4.577 -20.783 -20.783 258 1HD2 LEU 36 3HD2 LEU 36 5.274 -21.050 -21.050 259 2HD2 LEU 36 2HD2 LEU 36 6.024 -22.353 -22.353 260 3HD2 LEU 36 1HD2 LEU 36 6.549 -20.686 -20.686 261 HA PRO 37 HA PRO 37 -1.463 -19.989 -19.989 262 1HB PRO 37 2HB PRO 37 -0.659 -21.708 -21.708 263 2HB PRO 37 1HB PRO 37 -2.031 -21.866 -21.866 264 1HG PRO 37 2HG PRO 37 0.070 -23.504 -23.504 265 2HG PRO 37 1HG PRO 37 -0.774 -22.928 -22.928 266 1HD PRO 37 2HD PRO 37 1.826 -22.016 -22.016 267 2HD PRO 37 1HD PRO 37 1.375 -22.249 -22.249 268 H ALA 38 H ALA 38 -0.689 -17.768 -17.768 269 HA ALA 38 HA ALA 38 -0.420 -15.972 -15.972 270 1HB ALA 38 1HB ALA 38 -2.521 -17.011 -17.011 271 2HB ALA 38 3HB ALA 38 -1.513 -17.716 -17.716 272 3HB ALA 38 2HB ALA 38 -1.630 -15.964 -15.964 273 H GLY 39 H GLY 39 1.948 -16.618 -16.618 274 1HA GLY 39 2HA GLY 39 3.236 -17.589 -17.589 275 2HA GLY 39 1HA GLY 39 4.023 -17.280 -17.280 276 H THR 40 H THR 40 3.790 -14.821 -14.821 277 HA THR 40 HA THR 40 4.821 -13.318 -13.318 278 HB THR 40 HB THR 40 5.162 -11.907 -11.907 279 HG1 THR 40 HG1 THR 40 6.069 -14.594 -14.594 280 1HG2 THR 40 2HG2 THR 40 6.598 -11.995 -11.995 281 2HG2 THR 40 1HG2 THR 40 7.374 -13.368 -13.368 282 3HG2 THR 40 3HG2 THR 40 7.379 -11.784 -11.784 283 H GLU 41 H GLU 41 2.236 -13.438 -13.438 284 HA GLU 41 HA GLU 41 1.314 -10.857 -10.857 285 1HB GLU 41 2HB GLU 41 0.245 -13.463 -13.463 286 2HB GLU 41 1HB GLU 41 -0.966 -12.502 -12.502 287 1HG GLU 41 2HG GLU 41 0.064 -10.808 -10.808 288 2HG GLU 41 1HG GLU 41 -0.086 -12.378 -12.378 289 H ASP 42 H ASP 42 1.278 -13.025 -13.025 290 HA ASP 42 HA ASP 42 -0.721 -11.794 -11.794 291 1HB ASP 42 2HB ASP 42 0.490 -14.045 -14.045 292 2HB ASP 42 1HB ASP 42 1.723 -13.086 -13.086 293 H TYR 43 H TYR 43 -0.312 -9.539 -9.539 294 HA TYR 43 HA TYR 43 2.057 -8.370 -8.370 295 1HB TYR 43 2HB TYR 43 -0.220 -6.929 -6.929 296 2HB TYR 43 1HB TYR 43 1.396 -6.313 -6.313 297 HD1 TYR 43 HD2 TYR 43 3.031 -8.640 -8.640 298 HD2 TYR 43 HD1 TYR 43 -0.382 -6.775 -6.775 299 HE1 TYR 43 HE2 TYR 43 3.760 -9.381 -9.381 300 HE2 TYR 43 HE1 TYR 43 0.339 -7.513 -7.513 301 HH TYR 43 HH TYR 43 2.660 -9.852 -9.852 302 H ILE 44 H ILE 44 1.516 -6.180 -6.180 303 HA ILE 44 HA ILE 44 -0.505 -6.804 -6.804 304 HB ILE 44 HB ILE 44 2.035 -5.192 -5.192 305 1HG1 ILE 44 2HG1 ILE 44 2.572 -7.513 -7.513 306 2HG1 ILE 44 1HG1 ILE 44 2.560 -7.001 -7.001 307 1HG2 ILE 44 2HG2 ILE 44 -0.235 -5.660 -5.660 308 2HG2 ILE 44 1HG2 ILE 44 1.381 -5.220 -5.220 309 3HG2 ILE 44 3HG2 ILE 44 0.481 -4.129 -4.129 310 1HD1 ILE 44 3HD1 ILE 44 0.232 -7.897 -7.897 311 2HD1 ILE 44 2HD1 ILE 44 0.459 -8.583 -8.583 312 3HD1 ILE 44 1HD1 ILE 44 1.486 -9.106 -9.106 313 H HIS 45 H HIS 45 -2.261 -5.766 -5.766 314 HA HIS 45 HA HIS 45 -2.233 -3.219 -3.219 315 1HB HIS 45 2HB HIS 45 -4.124 -5.274 -5.274 316 2HB HIS 45 1HB HIS 45 -4.796 -3.763 -3.763 317 HD1 HIS 45 HD1 HIS 45 -3.495 -5.325 -5.325 318 HD2 HIS 45 HD2 HIS 45 -5.759 -2.075 -2.075 319 HE1 HIS 45 HE1 HIS 45 -4.454 -4.326 -4.326 320 HE2 HIS 45 HE2 HIS 45 -5.905 -2.424 -2.424 321 H ILE 46 H ILE 46 -2.294 -1.245 -1.245 322 HA ILE 46 HA ILE 46 -2.335 -0.899 -0.899 323 HB ILE 46 HB ILE 46 -1.830 1.131 1.131 324 1HG1 ILE 46 2HG1 ILE 46 -0.163 -0.758 -0.758 325 2HG1 ILE 46 1HG1 ILE 46 0.494 0.865 0.865 326 1HG2 ILE 46 1HG2 ILE 46 -2.062 1.349 1.349 327 2HG2 ILE 46 3HG2 ILE 46 -0.707 2.201 2.201 328 3HG2 ILE 46 2HG2 ILE 46 -2.358 2.550 2.550 329 1HD1 ILE 46 2HD1 ILE 46 0.034 0.387 0.387 330 2HD1 ILE 46 1HD1 ILE 46 0.142 -1.287 -1.287 331 3HD1 ILE 46 3HD1 ILE 46 1.497 -0.187 -0.187 332 H ARG 47 H ARG 47 -3.576 1.695 1.695 333 HA ARG 47 HA ARG 47 -5.702 2.446 2.446 334 1HB ARG 47 2HB ARG 47 -6.348 -0.078 -0.078 335 2HB ARG 47 1HB ARG 47 -6.945 0.520 0.520 336 1HG ARG 47 2HG ARG 47 -8.832 1.048 1.048 337 2HG ARG 47 1HG ARG 47 -7.942 2.304 2.304 338 1HD ARG 47 2HD ARG 47 -8.544 1.224 1.224 339 2HD ARG 47 1HD ARG 47 -7.317 0.038 0.038 340 HE ARG 47 HE ARG 47 -8.997 -1.452 -1.452 341 1HH1 ARG 47 2HH1 ARG 47 -10.320 1.761 1.761 342 2HH1 ARG 47 1HH1 ARG 47 -11.945 1.204 1.204 343 1HH2 ARG 47 1HH2 ARG 47 -11.132 -2.187 -2.187 344 2HH2 ARG 47 2HH2 ARG 47 -12.406 -1.037 -1.037 345 H ILE 48 H ILE 48 -6.296 4.283 4.283 346 HA ILE 48 HA ILE 48 -6.009 4.701 4.701 347 HB ILE 48 HB ILE 48 -5.490 6.364 6.364 348 1HG1 ILE 48 2HG1 ILE 48 -4.726 6.758 6.758 349 2HG1 ILE 48 1HG1 ILE 48 -3.868 5.690 5.690 350 1HG2 ILE 48 3HG2 ILE 48 -7.069 7.564 7.564 351 2HG2 ILE 48 2HG2 ILE 48 -6.147 8.503 8.503 352 3HG2 ILE 48 1HG2 ILE 48 -7.508 7.518 7.518 353 1HD1 ILE 48 2HD1 ILE 48 -3.500 7.696 7.696 354 2HD1 ILE 48 1HD1 ILE 48 -4.118 8.678 8.678 355 3HD1 ILE 48 3HD1 ILE 48 -2.659 7.712 7.712 356 H GLN 49 H GLN 49 -7.654 5.903 5.903 357 HA GLN 49 HA GLN 49 -10.248 6.088 6.088 358 1HB GLN 49 2HB GLN 49 -11.402 4.960 4.960 359 2HB GLN 49 1HB GLN 49 -10.198 3.893 3.893 360 1HG GLN 49 2HG GLN 49 -8.713 4.901 4.901 361 2HG GLN 49 1HG GLN 49 -10.297 5.131 5.131 362 1HE2 GLN 49 2HE2 GLN 49 -10.514 1.863 1.863 363 2HE2 GLN 49 1HE2 GLN 49 -10.956 3.524 3.524 364 H GLN 50 H GLN 50 -10.553 8.219 8.219 365 HA GLN 50 HA GLN 50 -10.095 9.571 9.571 366 1HB GLN 50 2HB GLN 50 -9.363 10.274 10.274 367 2HB GLN 50 1HB GLN 50 -10.739 11.311 11.311 368 1HG GLN 50 2HG GLN 50 -9.646 12.208 12.208 369 2HG GLN 50 1HG GLN 50 -8.325 11.049 11.049 370 1HE2 GLN 50 2HE2 GLN 50 -6.489 13.403 13.403 371 2HE2 GLN 50 1HE2 GLN 50 -6.611 12.265 12.265 372 H ARG 51 H ARG 51 -11.818 9.969 9.969 373 HA ARG 51 HA ARG 51 -14.477 9.652 9.652 374 1HB ARG 51 2HB ARG 51 -13.249 9.943 9.943 375 2HB ARG 51 1HB ARG 51 -14.896 10.538 10.538 376 1HG ARG 51 2HG ARG 51 -15.770 8.470 8.470 377 2HG ARG 51 1HG ARG 51 -14.346 7.855 7.855 378 1HD ARG 51 2HD ARG 51 -13.599 6.940 6.940 379 2HD ARG 51 1HD ARG 51 -13.616 8.511 8.511 380 HE ARG 51 HE ARG 51 -15.472 7.837 7.837 381 1HH1 ARG 51 2HH1 ARG 51 -15.217 5.920 5.920 382 2HH1 ARG 51 1HH1 ARG 51 -16.571 4.916 4.916 383 1HH2 ARG 51 1HH2 ARG 51 -17.254 6.517 6.517 384 2HH2 ARG 51 2HH2 ARG 51 -17.728 5.254 5.254 385 H ASN 52 H ASN 52 -13.089 12.290 12.290 386 HA ASN 52 HA ASN 52 -14.961 14.147 14.147 387 1HB ASN 52 2HB ASN 52 -12.986 14.734 14.734 388 2HB ASN 52 1HB ASN 52 -14.415 15.666 15.666 389 1HD2 ASN 52 2HD2 ASN 52 -14.673 12.456 12.456 390 2HD2 ASN 52 1HD2 ASN 52 -13.199 12.895 12.895 391 H GLY 53 H GLY 53 -12.919 13.193 13.193 392 1HA GLY 53 2HA GLY 53 -11.356 13.946 13.946 393 2HA GLY 53 1HA GLY 53 -12.009 15.545 15.545 394 H ARG 54 H ARG 54 -10.677 13.744 13.744 395 HA ARG 54 HA ARG 54 -8.035 14.854 14.854 396 1HB ARG 54 2HB ARG 54 -8.070 16.381 16.381 397 2HB ARG 54 1HB ARG 54 -9.598 16.675 16.675 398 1HG ARG 54 2HG ARG 54 -10.729 15.264 15.264 399 2HG ARG 54 1HG ARG 54 -9.190 15.093 15.093 400 1HD ARG 54 2HD ARG 54 -10.894 17.532 17.532 401 2HD ARG 54 1HD ARG 54 -10.259 16.830 16.830 402 HE ARG 54 HE ARG 54 -8.978 18.749 18.749 403 1HH1 ARG 54 2HH1 ARG 54 -8.348 16.018 16.018 404 2HH1 ARG 54 1HH1 ARG 54 -6.741 16.529 16.529 405 1HH2 ARG 54 1HH2 ARG 54 -6.865 19.423 19.423 406 2HH2 ARG 54 2HH2 ARG 54 -5.899 18.463 18.463 407 H LYS 55 H LYS 55 -10.380 13.333 13.333 408 HA LYS 55 HA LYS 55 -8.407 12.042 12.042 409 1HB LYS 55 2HB LYS 55 -11.010 12.534 12.534 410 2HB LYS 55 1HB LYS 55 -11.138 10.884 10.884 411 1HG LYS 55 2HG LYS 55 -11.036 10.681 10.681 412 2HG LYS 55 1HG LYS 55 -9.408 10.284 10.284 413 1HD LYS 55 2HD LYS 55 -9.110 12.919 12.919 414 2HD LYS 55 1HD LYS 55 -10.380 12.616 12.616 415 1HE LYS 55 2HE LYS 55 -7.667 11.316 11.316 416 2HE LYS 55 1HE LYS 55 -8.258 12.408 12.408 417 1HZ LYS 55 2HZ LYS 55 -9.944 10.709 10.709 418 2HZ LYS 55 1HZ LYS 55 -9.223 9.655 9.655 419 3HZ LYS 55 3HZ LYS 55 -8.360 10.174 10.174 420 H THR 56 H THR 56 -7.244 11.360 11.360 421 HA THR 56 HA THR 56 -8.265 9.165 9.165 422 HB THR 56 HB THR 56 -5.356 9.441 9.441 423 HG1 THR 56 HG1 THR 56 -5.203 11.509 11.509 424 1HG2 THR 56 1HG2 THR 56 -7.435 9.006 9.006 425 2HG2 THR 56 3HG2 THR 56 -6.330 10.274 10.274 426 3HG2 THR 56 2HG2 THR 56 -5.706 8.680 8.680 427 H LEU 57 H LEU 57 -7.342 7.010 7.010 428 HA LEU 57 HA LEU 57 -5.931 6.106 6.106 429 1HB LEU 57 2HB LEU 57 -8.788 5.609 5.609 430 2HB LEU 57 1HB LEU 57 -7.858 4.189 4.189 431 HG LEU 57 HG LEU 57 -7.676 6.646 6.646 432 1HD1 LEU 57 3HD1 LEU 57 -9.961 4.715 4.715 433 2HD1 LEU 57 2HD1 LEU 57 -9.536 5.512 5.512 434 3HD1 LEU 57 1HD1 LEU 57 -9.994 6.475 6.475 435 1HD2 LEU 57 1HD2 LEU 57 -6.913 3.831 3.831 436 2HD2 LEU 57 3HD2 LEU 57 -6.277 5.227 5.227 437 3HD2 LEU 57 2HD2 LEU 57 -7.733 4.417 4.417 438 H THR 58 H THR 58 -4.322 5.731 5.731 439 HA THR 58 HA THR 58 -4.677 4.098 4.098 440 HB THR 58 HB THR 58 -2.181 4.472 4.472 441 HG1 THR 58 HG1 THR 58 -3.376 6.349 6.349 442 1HG2 THR 58 1HG2 THR 58 -2.503 3.591 3.591 443 2HG2 THR 58 3HG2 THR 58 -0.977 4.049 4.049 444 3HG2 THR 58 2HG2 THR 58 -1.860 2.637 2.637 445 H THR 59 H THR 59 -5.161 2.012 2.012 446 HA THR 59 HA THR 59 -4.601 0.260 0.260 447 HB THR 59 HB THR 59 -6.224 -1.194 -1.194 448 HG1 THR 59 HG1 THR 59 -7.123 1.497 1.497 449 1HG2 THR 59 3HG2 THR 59 -6.555 0.225 0.225 450 2HG2 THR 59 2HG2 THR 59 -8.052 0.036 0.036 451 3HG2 THR 59 1HG2 THR 59 -7.095 -1.382 -1.382 452 H VAL 60 H VAL 60 -4.008 -1.994 -1.994 453 HA VAL 60 HA VAL 60 -2.464 -2.235 -2.235 454 HB VAL 60 HB VAL 60 -1.503 -3.212 -3.212 455 1HG1 VAL 60 2HG1 VAL 60 -0.823 -4.384 -4.384 456 2HG1 VAL 60 1HG1 VAL 60 0.134 -2.934 -2.934 457 3HG1 VAL 60 3HG1 VAL 60 0.448 -3.916 -3.916 458 1HG2 VAL 60 1HG2 VAL 60 -0.969 -0.690 -0.690 459 2HG2 VAL 60 3HG2 VAL 60 -1.260 -0.925 -0.925 460 3HG2 VAL 60 2HG2 VAL 60 0.288 -1.392 -1.392 461 H GLN 61 H GLN 61 -3.426 -3.803 -3.803 462 HA GLN 61 HA GLN 61 -4.487 -6.128 -6.128 463 1HB GLN 61 2HB GLN 61 -5.105 -6.125 -6.125 464 2HB GLN 61 1HB GLN 61 -6.190 -6.164 -6.164 465 1HG GLN 61 2HG GLN 61 -5.833 -3.654 -3.654 466 2HG GLN 61 1HG GLN 61 -5.097 -3.779 -3.779 467 1HE2 GLN 61 2HE2 GLN 61 -8.406 -5.181 -5.181 468 2HE2 GLN 61 1HE2 GLN 61 -6.874 -5.919 -5.919 469 H GLY 62 H GLY 62 -3.809 -8.176 -8.176 470 1HA GLY 62 2HA GLY 62 -2.712 -9.749 -9.749 471 2HA GLY 62 1HA GLY 62 -1.602 -8.450 -8.450 472 H ILE 63 H ILE 63 -1.474 -7.608 -7.608 473 HA ILE 63 HA ILE 63 0.824 -9.072 -9.072 474 HB ILE 63 HB ILE 63 -0.887 -7.169 -7.169 475 1HG1 ILE 63 2HG1 ILE 63 0.088 -5.956 -5.956 476 2HG1 ILE 63 1HG1 ILE 63 1.182 -5.691 -5.691 477 1HG2 ILE 63 1HG2 ILE 63 1.370 -8.824 -8.824 478 2HG2 ILE 63 3HG2 ILE 63 1.604 -7.108 -7.108 479 3HG2 ILE 63 2HG2 ILE 63 0.195 -7.952 -7.952 480 1HD1 ILE 63 2HD1 ILE 63 2.569 -7.584 -7.584 481 2HD1 ILE 63 1HD1 ILE 63 1.566 -7.466 -7.466 482 3HD1 ILE 63 3HD1 ILE 63 2.538 -6.087 -6.087 483 H ALA 64 H ALA 64 1.175 -10.559 -10.559 484 HA ALA 64 HA ALA 64 -1.092 -12.267 -12.267 485 1HB ALA 64 2HB ALA 64 1.125 -13.152 -13.152 486 2HB ALA 64 1HB ALA 64 1.778 -12.652 -12.652 487 3HB ALA 64 3HB ALA 64 0.506 -13.872 -13.872 488 H ASP 65 H ASP 65 -2.110 -12.469 -12.469 489 HA ASP 65 HA ASP 65 -1.837 -10.531 -10.531 490 1HB ASP 65 2HB ASP 65 -3.847 -12.074 -12.074 491 2HB ASP 65 1HB ASP 65 -3.069 -13.223 -13.223 492 H ASP 66 H ASP 66 -0.108 -13.430 -13.430 493 HA ASP 66 HA ASP 66 0.661 -14.072 -14.072 494 1HB ASP 66 2HB ASP 66 1.475 -14.847 -14.847 495 2HB ASP 66 1HB ASP 66 2.753 -14.962 -14.962 496 H TYR 67 H TYR 67 1.668 -11.628 -11.628 497 HA TYR 67 HA TYR 67 4.259 -11.074 -11.074 498 1HB TYR 67 2HB TYR 67 1.977 -9.241 -9.241 499 2HB TYR 67 1HB TYR 67 3.607 -8.639 -8.639 500 HD1 TYR 67 HD2 TYR 67 3.457 -11.917 -11.917 501 HD2 TYR 67 HD1 TYR 67 3.369 -7.748 -7.748 502 HE1 TYR 67 HE2 TYR 67 4.024 -12.379 -12.379 503 HE2 TYR 67 HE1 TYR 67 3.931 -8.195 -8.195 504 HH TYR 67 HH TYR 67 5.033 -9.982 -9.982 505 H ASP 68 H ASP 68 5.157 -9.455 -9.455 506 HA ASP 68 HA ASP 68 4.118 -9.706 -9.706 507 1HB ASP 68 2HB ASP 68 6.324 -7.866 -7.866 508 2HB ASP 68 1HB ASP 68 6.054 -8.453 -8.453 509 H LYS 69 H LYS 69 2.004 -8.751 -8.751 510 HA LYS 69 HA LYS 69 1.321 -6.294 -6.294 511 1HB LYS 69 2HB LYS 69 0.279 -7.564 -7.564 512 2HB LYS 69 1HB LYS 69 -0.523 -6.290 -6.290 513 1HG LYS 69 2HG LYS 69 -0.757 -7.787 -7.787 514 2HG LYS 69 1HG LYS 69 0.061 -9.066 -9.066 515 1HD LYS 69 2HD LYS 69 -2.378 -7.743 -7.743 516 2HD LYS 69 1HD LYS 69 -2.534 -9.022 -9.022 517 1HE LYS 69 2HE LYS 69 -0.689 -9.628 -9.628 518 2HE LYS 69 1HE LYS 69 -2.371 -9.427 -9.427 519 1HZ LYS 69 1HZ LYS 69 -3.005 -11.083 -11.083 520 2HZ LYS 69 3HZ LYS 69 -1.390 -11.275 -11.275 521 3HZ LYS 69 2HZ LYS 69 -1.882 -11.724 -11.724 522 H LYS 70 H LYS 70 2.838 -7.006 -7.006 523 HA LYS 70 HA LYS 70 2.609 -4.452 -4.452 524 1HB LYS 70 2HB LYS 70 4.703 -6.594 -6.594 525 2HB LYS 70 1HB LYS 70 4.549 -5.162 -5.162 526 1HG LYS 70 2HG LYS 70 3.107 -6.244 -6.244 527 2HG LYS 70 1HG LYS 70 2.002 -6.357 -6.357 528 1HD LYS 70 2HD LYS 70 3.669 -8.362 -8.362 529 2HD LYS 70 1HD LYS 70 3.839 -8.381 -8.381 530 1HE LYS 70 2HE LYS 70 1.962 -9.573 -9.573 531 2HE LYS 70 1HE LYS 70 1.100 -8.133 -8.133 532 1HZ LYS 70 1HZ LYS 70 1.736 -8.920 -8.920 533 2HZ LYS 70 3HZ LYS 70 2.052 -10.417 -10.417 534 3HZ LYS 70 2HZ LYS 70 0.499 -9.748 -9.748 535 H LYS 71 H LYS 71 5.376 -5.932 -5.932 536 HA LYS 71 HA LYS 71 6.692 -3.363 -3.363 537 1HB LYS 71 2HB LYS 71 7.803 -5.674 -5.674 538 2HB LYS 71 1HB LYS 71 7.593 -5.875 -5.875 539 1HG LYS 71 2HG LYS 71 8.782 -3.561 -3.561 540 2HG LYS 71 1HG LYS 71 9.346 -3.978 -3.978 541 1HD LYS 71 2HD LYS 71 9.647 -5.813 -5.813 542 2HD LYS 71 1HD LYS 71 10.872 -4.631 -4.631 543 1HE LYS 71 2HE LYS 71 10.698 -5.737 -5.737 544 2HE LYS 71 1HE LYS 71 9.950 -7.074 -7.074 545 1HZ LYS 71 3HZ LYS 71 12.542 -5.959 -5.959 546 2HZ LYS 71 2HZ LYS 71 12.466 -7.117 -7.117 547 3HZ LYS 71 1HZ LYS 71 11.885 -7.487 -7.487 548 H LEU 72 H LEU 72 4.162 -4.555 -4.555 549 HA LEU 72 HA LEU 72 5.037 -3.989 -3.989 550 1HB LEU 72 2HB LEU 72 3.297 -5.757 -5.757 551 2HB LEU 72 1HB LEU 72 2.182 -4.404 -4.404 552 HG LEU 72 HG LEU 72 3.677 -5.445 -5.445 553 1HD1 LEU 72 2HD1 LEU 72 1.008 -5.891 -5.891 554 2HD1 LEU 72 1HD1 LEU 72 1.027 -5.499 -5.499 555 3HD1 LEU 72 3HD1 LEU 72 1.952 -6.876 -6.876 556 1HD2 LEU 72 1HD2 LEU 72 2.017 -2.987 -2.987 557 2HD2 LEU 72 3HD2 LEU 72 3.567 -3.154 -3.154 558 3HD2 LEU 72 2HD2 LEU 72 2.094 -3.758 -3.758 559 H VAL 73 H VAL 73 2.478 -2.682 -2.682 560 HA VAL 73 HA VAL 73 2.394 -0.257 -0.257 561 HB VAL 73 HB VAL 73 0.601 0.400 0.400 562 1HG1 VAL 73 3HG1 VAL 73 0.449 -1.593 -1.593 563 2HG1 VAL 73 2HG1 VAL 73 -0.972 -1.416 -1.416 564 3HG1 VAL 73 1HG1 VAL 73 -0.334 -0.021 -0.021 565 1HG2 VAL 73 1HG2 VAL 73 1.294 -1.394 -1.394 566 2HG2 VAL 73 3HG2 VAL 73 -0.430 -1.353 -1.353 567 3HG2 VAL 73 2HG2 VAL 73 0.604 -2.572 -2.572 568 H LYS 74 H LYS 74 3.259 -1.251 -1.251 569 HA LYS 74 HA LYS 74 3.674 1.232 1.232 570 1HB LYS 74 2HB LYS 74 3.861 -1.048 -1.048 571 2HB LYS 74 1HB LYS 74 5.486 -1.141 -1.141 572 1HG LYS 74 2HG LYS 74 6.327 0.365 0.365 573 2HG LYS 74 1HG LYS 74 4.825 1.287 1.287 574 1HD LYS 74 2HD LYS 74 4.659 0.349 0.349 575 2HD LYS 74 1HD LYS 74 4.052 -1.043 -1.043 576 1HE LYS 74 2HE LYS 74 6.579 -1.672 -1.672 577 2HE LYS 74 1HE LYS 74 6.744 -0.593 -0.593 578 1HZ LYS 74 3HZ LYS 74 5.002 -1.938 -1.938 579 2HZ LYS 74 2HZ LYS 74 5.064 -3.032 -3.032 580 3HZ LYS 74 1HZ LYS 74 6.426 -2.796 -2.796 581 H ALA 75 H ALA 75 5.795 -0.663 -0.663 582 HA ALA 75 HA ALA 75 8.057 1.016 1.016 583 1HB ALA 75 3HB ALA 75 7.178 -1.205 -1.205 584 2HB ALA 75 2HB ALA 75 8.338 -0.096 -0.096 585 3HB ALA 75 1HB ALA 75 8.733 -0.918 -0.918 586 H PHE 76 H PHE 76 5.145 1.124 1.124 587 HA PHE 76 HA PHE 76 6.019 2.993 2.993 588 1HB PHE 76 2HB PHE 76 3.848 1.512 1.512 589 2HB PHE 76 1HB PHE 76 3.170 2.920 2.920 590 HD1 PHE 76 HD1 PHE 76 4.727 1.734 1.734 591 HD2 PHE 76 HD2 PHE 76 2.576 4.868 4.868 592 HE1 PHE 76 HE1 PHE 76 4.359 2.799 2.799 593 HE2 PHE 76 HE2 PHE 76 2.204 5.941 5.941 594 HZ PHE 76 HZ PHE 76 3.091 4.906 4.906 595 H LYS 77 H LYS 77 4.006 3.449 3.449 596 HA LYS 77 HA LYS 77 3.842 6.214 6.214 597 1HB LYS 77 2HB LYS 77 3.971 4.451 4.451 598 2HB LYS 77 1HB LYS 77 3.292 6.070 6.070 599 1HG LYS 77 2HG LYS 77 1.324 5.237 5.237 600 2HG LYS 77 1HG LYS 77 2.034 4.483 4.483 601 1HD LYS 77 2HD LYS 77 1.830 2.462 2.462 602 2HD LYS 77 1HD LYS 77 2.725 2.973 2.973 603 1HE LYS 77 2HE LYS 77 0.825 3.468 3.468 604 2HE LYS 77 1HE LYS 77 -0.115 3.817 3.817 605 1HZ LYS 77 2HZ LYS 77 0.320 1.237 1.237 606 2HZ LYS 77 1HZ LYS 77 0.368 1.272 1.272 607 3HZ LYS 77 3HZ LYS 77 -1.007 1.822 1.822 608 H LYS 78 H LYS 78 6.535 4.213 4.213 609 HA LYS 78 HA LYS 78 7.920 6.369 6.369 610 1HB LYS 78 2HB LYS 78 7.975 3.838 3.838 611 2HB LYS 78 1HB LYS 78 9.152 3.724 3.724 612 1HG LYS 78 2HG LYS 78 10.063 5.859 5.859 613 2HG LYS 78 1HG LYS 78 9.445 4.752 4.752 614 1HD LYS 78 2HD LYS 78 11.106 3.587 3.587 615 2HD LYS 78 1HD LYS 78 11.928 4.592 4.592 616 1HE LYS 78 2HE LYS 78 12.072 2.621 2.621 617 2HE LYS 78 1HE LYS 78 10.461 3.086 3.086 618 1HZ LYS 78 2HZ LYS 78 9.703 1.816 1.816 619 2HZ LYS 78 1HZ LYS 78 11.227 1.087 1.087 620 3HZ LYS 78 3HZ LYS 78 10.152 0.937 0.937 621 H LYS 79 H LYS 79 7.689 5.017 5.017 622 HA LYS 79 HA LYS 79 10.223 6.235 6.235 623 1HB LYS 79 2HB LYS 79 9.333 3.813 3.813 624 2HB LYS 79 1HB LYS 79 8.522 4.693 4.693 625 1HG LYS 79 2HG LYS 79 10.977 5.701 5.701 626 2HG LYS 79 1HG LYS 79 11.392 4.130 4.130 627 1HD LYS 79 2HD LYS 79 10.854 3.047 3.047 628 2HD LYS 79 1HD LYS 79 9.364 3.969 3.969 629 1HE LYS 79 2HE LYS 79 12.134 4.927 4.927 630 2HE LYS 79 1HE LYS 79 10.936 4.320 4.320 631 1HZ LYS 79 3HZ LYS 79 9.462 6.165 6.165 632 2HZ LYS 79 2HZ LYS 79 10.885 6.825 6.825 633 3HZ LYS 79 1HZ LYS 79 10.721 6.616 6.616 634 H PHE 80 H PHE 80 6.759 6.522 6.522 635 HA PHE 80 HA PHE 80 7.237 8.805 8.805 636 1HB PHE 80 2HB PHE 80 4.708 7.164 7.164 637 2HB PHE 80 1HB PHE 80 5.123 8.384 8.384 638 HD1 PHE 80 HD2 PHE 80 5.739 4.964 4.964 639 HD2 PHE 80 HD1 PHE 80 6.623 7.892 7.892 640 HE1 PHE 80 HE2 PHE 80 6.718 3.217 3.217 641 HE2 PHE 80 HE1 PHE 80 7.604 6.152 6.152 642 HZ PHE 80 HZ PHE 80 7.654 3.811 3.811 643 H ALA 81 H ALA 81 6.006 7.861 7.861 644 HA ALA 81 HA ALA 81 5.164 9.118 9.118 645 1HB ALA 81 1HB ALA 81 6.534 10.968 10.968 646 2HB ALA 81 3HB ALA 81 4.921 11.575 11.575 647 3HB ALA 81 2HB ALA 81 5.428 11.388 11.388 648 H CYS 82 H CYS 82 3.586 7.802 7.802 649 HA CYS 82 HA CYS 82 1.093 9.340 9.340 650 1HB CYS 82 2HB CYS 82 1.581 6.873 6.873 651 2HB CYS 82 1HB CYS 82 0.314 8.080 8.080 652 HG CYS 82 HG CYS 82 3.294 8.622 8.622 653 H ASN 83 H ASN 83 -0.685 7.185 7.185 654 HA ASN 83 HA ASN 83 -0.364 5.695 5.695 655 1HB ASN 83 2HB ASN 83 -2.124 7.013 7.013 656 2HB ASN 83 1HB ASN 83 -2.635 7.303 7.303 657 1HD2 ASN 83 2HD2 ASN 83 -4.769 4.506 4.506 658 2HD2 ASN 83 1HD2 ASN 83 -3.761 5.557 5.557 659 H GLY 84 H GLY 84 -0.088 3.609 3.609 660 1HA GLY 84 2HA GLY 84 -1.265 2.457 2.457 661 2HA GLY 84 1HA GLY 84 0.134 1.815 1.815 662 H THR 85 H THR 85 -3.013 1.253 1.253 663 HA THR 85 HA THR 85 -3.382 -0.233 -0.233 664 HB THR 85 HB THR 85 -5.748 0.121 0.121 665 HG1 THR 85 HG1 THR 85 -6.744 0.830 0.830 666 1HG2 THR 85 2HG2 THR 85 -3.990 2.448 2.448 667 2HG2 THR 85 1HG2 THR 85 -5.671 2.787 2.787 668 3HG2 THR 85 3HG2 THR 85 -5.275 2.037 2.037 669 H VAL 86 H VAL 86 -4.473 -2.256 -2.256 670 HA VAL 86 HA VAL 86 -4.179 -3.545 -3.545 671 HB VAL 86 HB VAL 86 -2.783 -4.504 -4.504 672 1HG1 VAL 86 1HG1 VAL 86 -4.888 -4.003 -4.003 673 2HG1 VAL 86 3HG1 VAL 86 -5.002 -5.748 -5.748 674 3HG1 VAL 86 2HG1 VAL 86 -3.510 -5.031 -5.031 675 1HG2 VAL 86 2HG2 VAL 86 -3.847 -5.877 -5.877 676 2HG2 VAL 86 1HG2 VAL 86 -3.238 -6.762 -6.762 677 3HG2 VAL 86 3HG2 VAL 86 -4.968 -6.466 -6.466 678 H ILE 87 H ILE 87 -5.985 -4.138 -4.138 679 HA ILE 87 HA ILE 87 -8.387 -4.755 -4.755 680 HB ILE 87 HB ILE 87 -9.801 -3.562 -3.562 681 1HG1 ILE 87 2HG1 ILE 87 -7.338 -2.208 -2.208 682 2HG1 ILE 87 1HG1 ILE 87 -7.942 -3.687 -3.687 683 1HG2 ILE 87 2HG2 ILE 87 -7.696 -1.864 -1.864 684 2HG2 ILE 87 1HG2 ILE 87 -9.243 -1.270 -1.270 685 3HG2 ILE 87 3HG2 ILE 87 -9.202 -2.434 -2.434 686 1HD1 ILE 87 2HD1 ILE 87 -9.616 -1.222 -1.222 687 2HD1 ILE 87 1HD1 ILE 87 -8.690 -1.570 -1.570 688 3HD1 ILE 87 3HD1 ILE 87 -9.992 -2.651 -2.651 689 H GLU 88 H GLU 88 -9.973 -6.035 -6.035 690 HA GLU 88 HA GLU 88 -8.793 -7.668 -7.668 691 1HB GLU 88 2HB GLU 88 -9.480 -8.637 -8.637 692 2HB GLU 88 1HB GLU 88 -11.093 -8.621 -8.621 693 1HG GLU 88 2HG GLU 88 -10.099 -9.906 -9.906 694 2HG GLU 88 1HG GLU 88 -8.681 -10.137 -10.137 695 H HIS 89 H HIS 89 -9.577 -5.955 -5.955 696 HA HIS 89 HA HIS 89 -12.235 -5.230 -5.230 697 1HB HIS 89 2HB HIS 89 -9.964 -4.472 -4.472 698 2HB HIS 89 1HB HIS 89 -10.561 -5.544 -5.544 699 HD1 HIS 89 HD1 HIS 89 -12.280 -4.613 -4.613 700 HD2 HIS 89 HD2 HIS 89 -11.820 -2.307 -2.307 701 HE1 HIS 89 HE1 HIS 89 -13.692 -2.567 -2.567 702 HE2 HIS 89 HE2 HIS 89 -13.352 -1.155 -1.155 703 HA PRO 90 HA PRO 90 -14.041 -8.905 -8.905 704 1HB PRO 90 2HB PRO 90 -16.417 -7.927 -7.927 705 2HB PRO 90 1HB PRO 90 -15.960 -8.034 -8.034 706 1HG PRO 90 2HG PRO 90 -15.955 -5.661 -5.661 707 2HG PRO 90 1HG PRO 90 -16.459 -5.771 -5.771 708 1HD PRO 90 2HD PRO 90 -14.005 -4.828 -4.828 709 2HD PRO 90 1HD PRO 90 -14.331 -5.472 -5.472 710 H GLU 91 H GLU 91 -13.735 -5.968 -5.968 711 HA GLU 91 HA GLU 91 -14.434 -7.216 -7.216 712 1HB GLU 91 2HB GLU 91 -13.793 -4.518 -4.518 713 2HB GLU 91 1HB GLU 91 -13.152 -4.875 -4.875 714 1HG GLU 91 2HG GLU 91 -16.006 -5.466 -5.466 715 2HG GLU 91 1HG GLU 91 -15.500 -3.832 -3.832 716 H TYR 92 H TYR 92 -11.563 -6.742 -6.742 717 HA TYR 92 HA TYR 92 -9.950 -7.747 -7.747 718 1HB TYR 92 2HB TYR 92 -8.712 -6.332 -6.332 719 2HB TYR 92 1HB TYR 92 -8.132 -6.470 -6.470 720 HD1 TYR 92 HD2 TYR 92 -10.585 -5.597 -5.597 721 HD2 TYR 92 HD1 TYR 92 -8.698 -4.011 -4.011 722 HE1 TYR 92 HE2 TYR 92 -11.518 -3.383 -3.383 723 HE2 TYR 92 HE1 TYR 92 -9.626 -1.790 -1.790 724 HH TYR 92 HH TYR 92 -12.039 -1.307 -1.307 725 H GLY 93 H GLY 93 -10.213 -7.777 -7.777 726 1HA GLY 93 2HA GLY 93 -10.215 -9.758 -9.758 727 2HA GLY 93 1HA GLY 93 -9.468 -10.610 -10.610 728 H GLU 94 H GLU 94 -8.952 -8.840 -8.840 729 HA GLU 94 HA GLU 94 -7.109 -8.505 -8.505 730 1HB GLU 94 2HB GLU 94 -6.551 -10.884 -10.884 731 2HB GLU 94 1HB GLU 94 -5.066 -9.976 -9.976 732 1HG GLU 94 2HG GLU 94 -4.975 -10.497 -10.497 733 2HG GLU 94 1HG GLU 94 -6.691 -10.176 -10.176 734 H VAL 95 H VAL 95 -6.788 -6.347 -6.347 735 HA VAL 95 HA VAL 95 -4.489 -5.798 -5.798 736 HB VAL 95 HB VAL 95 -5.593 -3.850 -3.850 737 1HG1 VAL 95 1HG1 VAL 95 -5.739 -6.416 -6.416 738 2HG1 VAL 95 3HG1 VAL 95 -7.456 -6.025 -6.025 739 3HG1 VAL 95 2HG1 VAL 95 -6.387 -5.069 -5.069 740 1HG2 VAL 95 2HG2 VAL 95 -8.031 -4.902 -4.902 741 2HG2 VAL 95 1HG2 VAL 95 -7.270 -3.323 -3.323 742 3HG2 VAL 95 3HG2 VAL 95 -8.089 -3.727 -3.727 743 H ILE 96 H ILE 96 -3.281 -4.014 -4.014 744 HA ILE 96 HA ILE 96 -3.779 -3.079 -3.079 745 HB ILE 96 HB ILE 96 -1.435 -3.180 -3.180 746 1HG1 ILE 96 2HG1 ILE 96 -2.010 -4.682 -4.682 747 2HG1 ILE 96 1HG1 ILE 96 -0.363 -4.069 -4.069 748 1HG2 ILE 96 3HG2 ILE 96 -1.808 -0.957 -0.957 749 2HG2 ILE 96 2HG2 ILE 96 -0.218 -1.505 -1.505 750 3HG2 ILE 96 1HG2 ILE 96 -1.359 -0.837 -0.837 751 1HD1 ILE 96 2HD1 ILE 96 -1.878 -2.213 -2.213 752 2HD1 ILE 96 1HD1 ILE 96 -2.237 -3.826 -3.826 753 3HD1 ILE 96 3HD1 ILE 96 -0.569 -3.263 -3.263 754 H GLN 97 H GLN 97 -4.679 -1.199 -1.199 755 HA GLN 97 HA GLN 97 -5.193 0.687 0.687 756 1HB GLN 97 2HB GLN 97 -6.752 -0.283 -0.283 757 2HB GLN 97 1HB GLN 97 -6.454 1.415 1.415 758 1HG GLN 97 2HG GLN 97 -7.205 1.863 1.863 759 2HG GLN 97 1HG GLN 97 -7.816 0.210 0.210 760 1HE2 GLN 97 2HE2 GLN 97 -10.819 1.349 1.349 761 2HE2 GLN 97 1HE2 GLN 97 -9.949 0.439 0.439 762 H LEU 98 H LEU 98 -3.772 2.243 2.243 763 HA LEU 98 HA LEU 98 -2.298 3.311 3.311 764 1HB LEU 98 2HB LEU 98 -1.883 3.136 3.136 765 2HB LEU 98 1HB LEU 98 -1.455 4.695 4.695 766 HG LEU 98 HG LEU 98 0.223 3.773 3.773 767 1HD1 LEU 98 3HD1 LEU 98 -1.423 1.431 1.431 768 2HD1 LEU 98 2HD1 LEU 98 0.229 1.005 1.005 769 3HD1 LEU 98 1HD1 LEU 98 -0.088 1.837 1.837 770 1HD2 LEU 98 3HD2 LEU 98 0.217 2.350 2.350 771 2HD2 LEU 98 2HD2 LEU 98 0.890 3.942 3.942 772 3HD2 LEU 98 1HD2 LEU 98 1.618 2.502 2.502 773 H GLN 99 H GLN 99 -2.019 5.757 5.757 774 HA GLN 99 HA GLN 99 -4.652 6.979 6.979 775 1HB GLN 99 2HB GLN 99 -2.783 7.084 7.084 776 2HB GLN 99 1HB GLN 99 -3.089 8.704 8.704 777 1HG GLN 99 2HG GLN 99 -5.398 6.899 6.899 778 2HG GLN 99 1HG GLN 99 -4.585 7.653 7.653 779 1HE2 GLN 99 2HE2 GLN 99 -6.801 9.881 9.881 780 2HE2 GLN 99 1HE2 GLN 99 -6.276 8.289 8.289 781 H GLY 100 H GLY 100 -4.886 8.801 8.801 782 1HA GLY 100 2HA GLY 100 -4.339 10.538 10.538 783 2HA GLY 100 1HA GLY 100 -2.702 10.466 10.466 784 H ASP 101 H ASP 101 -2.852 11.020 11.020 785 HA ASP 101 HA ASP 101 -2.963 8.753 8.753 786 1HB ASP 101 2HB ASP 101 -1.828 10.283 10.283 787 2HB ASP 101 1HB ASP 101 -3.338 10.894 10.894 788 H GLN 102 H GLN 102 -1.637 7.115 7.115 789 HA GLN 102 HA GLN 102 1.246 7.691 7.691 790 1HB GLN 102 2HB GLN 102 -0.540 5.968 5.968 791 2HB GLN 102 1HB GLN 102 0.955 5.190 5.190 792 1HG GLN 102 2HG GLN 102 0.908 6.359 6.359 793 2HG GLN 102 1HG GLN 102 2.275 6.690 6.690 794 1HE2 GLN 102 2HE2 GLN 102 -0.584 9.609 9.609 795 2HE2 GLN 102 1HE2 GLN 102 -1.030 7.946 7.946 796 H ARG 103 H ARG 103 -0.972 6.582 6.582 797 HA ARG 103 HA ARG 103 -0.235 4.129 4.129 798 1HB ARG 103 2HB ARG 103 -1.251 4.663 4.663 799 2HB ARG 103 1HB ARG 103 -2.006 5.777 5.777 800 1HG ARG 103 2HG ARG 103 0.334 6.538 6.538 801 2HG ARG 103 1HG ARG 103 -1.345 6.733 6.733 802 1HD ARG 103 2HD ARG 103 -1.090 7.835 7.835 803 2HD ARG 103 1HD ARG 103 0.251 8.444 8.444 804 HE ARG 103 HE ARG 103 -2.471 9.197 9.197 805 1HH1 ARG 103 2HH1 ARG 103 0.369 8.587 8.587 806 2HH1 ARG 103 1HH1 ARG 103 -0.118 9.652 9.652 807 1HH2 ARG 103 1HH2 ARG 103 -3.114 10.598 10.598 808 2HH2 ARG 103 2HH2 ARG 103 -2.095 10.794 10.794 809 H LYS 104 H LYS 104 1.609 7.067 7.067 810 HA LYS 104 HA LYS 104 3.532 5.853 5.853 811 1HB LYS 104 2HB LYS 104 2.810 8.190 8.190 812 2HB LYS 104 1HB LYS 104 3.485 8.632 8.632 813 1HG LYS 104 2HG LYS 104 5.616 7.433 7.433 814 2HG LYS 104 1HG LYS 104 4.808 8.199 8.199 815 1HD LYS 104 2HD LYS 104 6.381 9.764 9.764 816 2HD LYS 104 1HD LYS 104 4.768 10.324 10.324 817 1HE LYS 104 2HE LYS 104 5.043 9.393 9.393 818 2HE LYS 104 1HE LYS 104 6.632 8.769 8.769 819 1HZ LYS 104 3HZ LYS 104 6.036 11.649 11.649 820 2HZ LYS 104 2HZ LYS 104 6.486 10.977 10.977 821 3HZ LYS 104 1HZ LYS 104 7.537 10.883 10.883 822 H ASN 105 H ASN 105 3.114 6.553 6.553 823 HA ASN 105 HA ASN 105 5.954 6.216 6.216 824 1HB ASN 105 2HB ASN 105 3.563 6.931 6.931 825 2HB ASN 105 1HB ASN 105 5.110 6.513 6.513 826 1HD2 ASN 105 2HD2 ASN 105 4.455 10.176 10.176 827 2HD2 ASN 105 1HD2 ASN 105 3.238 8.957 8.957 828 H ILE 106 H ILE 106 2.932 4.465 4.465 829 HA ILE 106 HA ILE 106 3.842 2.452 2.452 830 HB ILE 106 HB ILE 106 1.457 2.872 2.872 831 1HG1 ILE 106 2HG1 ILE 106 0.769 0.522 0.522 832 2HG1 ILE 106 1HG1 ILE 106 2.347 0.051 0.051 833 1HG2 ILE 106 1HG2 ILE 106 1.707 3.203 3.203 834 2HG2 ILE 106 3HG2 ILE 106 1.919 1.462 1.462 835 3HG2 ILE 106 2HG2 ILE 106 0.397 2.110 2.110 836 1HD1 ILE 106 1HD1 ILE 106 2.641 1.594 1.594 837 2HD1 ILE 106 3HD1 ILE 106 1.545 0.239 0.239 838 3HD1 ILE 106 2HD1 ILE 106 3.173 -0.048 -0.048 839 H CYS 107 H CYS 107 3.657 2.556 2.556 840 HA CYS 107 HA CYS 107 4.615 -0.001 -0.001 841 1HB CYS 107 2HB CYS 107 5.518 1.054 1.054 842 2HB CYS 107 1HB CYS 107 3.803 1.306 1.306 843 HG CYS 107 HG CYS 107 4.890 3.723 3.723 844 H GLN 108 H GLN 108 6.257 2.931 2.931 845 HA GLN 108 HA GLN 108 8.924 2.065 2.065 846 1HB GLN 108 2HB GLN 108 7.597 4.281 4.281 847 2HB GLN 108 1HB GLN 108 9.258 3.899 3.899 848 1HG GLN 108 2HG GLN 108 8.694 4.188 4.188 849 2HG GLN 108 1HG GLN 108 8.567 5.650 5.650 850 1HE2 GLN 108 2HE2 GLN 108 12.200 3.809 3.809 851 2HE2 GLN 108 1HE2 GLN 108 10.735 2.930 2.930 852 H PHE 109 H PHE 109 6.801 2.119 2.119 853 HA PHE 109 HA PHE 109 8.610 1.107 1.107 854 1HB PHE 109 2HB PHE 109 6.474 2.232 2.232 855 2HB PHE 109 1HB PHE 109 5.602 0.829 0.829 856 HD1 PHE 109 HD2 PHE 109 8.212 1.749 1.749 857 HD2 PHE 109 HD1 PHE 109 4.979 -0.821 -0.821 858 HE1 PHE 109 HE2 PHE 109 8.327 0.730 0.730 859 HE2 PHE 109 HE1 PHE 109 5.086 -1.845 -1.845 860 HZ PHE 109 HZ PHE 109 6.760 -1.066 -1.066 861 H LEU 110 H LEU 110 6.127 -0.546 -0.546 862 HA LEU 110 HA LEU 110 6.477 -3.117 -3.117 863 1HB LEU 110 2HB LEU 110 5.462 -1.939 -1.939 864 2HB LEU 110 1HB LEU 110 5.857 -3.646 -3.646 865 HG LEU 110 HG LEU 110 4.233 -4.155 -4.155 866 1HD1 LEU 110 2HD1 LEU 110 4.679 -2.231 -2.231 867 2HD1 LEU 110 1HD1 LEU 110 3.801 -1.192 -1.192 868 3HD1 LEU 110 3HD1 LEU 110 2.955 -2.483 -2.483 869 1HD2 LEU 110 1HD2 LEU 110 3.555 -3.275 -3.275 870 2HD2 LEU 110 3HD2 LEU 110 2.380 -3.862 -3.862 871 3HD2 LEU 110 2HD2 LEU 110 2.647 -2.129 -2.129 872 H VAL 111 H VAL 111 8.408 -1.295 -1.295 873 HA VAL 111 HA VAL 111 10.034 -3.640 -3.640 874 HB VAL 111 HB VAL 111 10.188 -0.811 -0.811 875 1HG1 VAL 111 2HG1 VAL 111 11.782 -3.279 -3.279 876 2HG1 VAL 111 1HG1 VAL 111 11.578 -2.014 -2.014 877 3HG1 VAL 111 3HG1 VAL 111 12.348 -1.642 -1.642 878 1HG2 VAL 111 2HG2 VAL 111 8.583 -3.126 -3.126 879 2HG2 VAL 111 1HG2 VAL 111 8.410 -1.434 -1.434 880 3HG2 VAL 111 3HG2 VAL 111 9.517 -2.482 -2.482 881 H GLU 112 H GLU 112 10.063 -0.777 -0.777 882 HA GLU 112 HA GLU 112 12.896 -0.685 -0.685 883 1HB GLU 112 2HB GLU 112 10.544 0.638 0.638 884 2HB GLU 112 1HB GLU 112 12.163 0.799 0.799 885 1HG GLU 112 2HG GLU 112 12.069 1.344 1.344 886 2HG GLU 112 1HG GLU 112 11.015 2.403 2.403 887 H ILE 113 H ILE 113 10.150 -2.053 -2.053 888 HA ILE 113 HA ILE 113 11.919 -3.049 -3.049 889 HB ILE 113 HB ILE 113 9.986 -3.660 -3.660 890 1HG1 ILE 113 2HG1 ILE 113 8.389 -3.186 -3.186 891 2HG1 ILE 113 1HG1 ILE 113 8.722 -4.750 -4.750 892 1HG2 ILE 113 1HG2 ILE 113 10.518 -1.139 -1.139 893 2HG2 ILE 113 3HG2 ILE 113 8.927 -1.199 -1.199 894 3HG2 ILE 113 2HG2 ILE 113 9.105 -1.593 -1.593 895 1HD1 ILE 113 1HD1 ILE 113 7.460 -2.881 -2.881 896 2HD1 ILE 113 3HD1 ILE 113 6.487 -3.226 -3.226 897 3HD1 ILE 113 2HD1 ILE 113 7.037 -4.546 -4.546 898 H GLY 114 H GLY 114 10.309 -4.144 -4.144 899 1HA GLY 114 2HA GLY 114 10.955 -6.140 -6.140 900 2HA GLY 114 1HA GLY 114 11.441 -6.817 -6.817 901 H LEU 115 H LEU 115 8.415 -5.146 -5.146 902 HA LEU 115 HA LEU 115 6.956 -7.449 -7.449 903 1HB LEU 115 2HB LEU 115 6.569 -4.752 -4.752 904 2HB LEU 115 1HB LEU 115 5.433 -5.178 -5.178 905 HG LEU 115 HG LEU 115 4.234 -6.645 -6.645 906 1HD1 LEU 115 1HD1 LEU 115 6.608 -6.329 -6.329 907 2HD1 LEU 115 3HD1 LEU 115 5.032 -6.735 -6.735 908 3HD1 LEU 115 2HD1 LEU 115 5.778 -7.799 -7.799 909 1HD2 LEU 115 2HD2 LEU 115 4.283 -3.972 -3.972 910 2HD2 LEU 115 1HD2 LEU 115 3.187 -5.050 -5.050 911 3HD2 LEU 115 3HD2 LEU 115 4.674 -4.496 -4.496 912 H ALA 116 H ALA 116 6.345 -5.363 -5.363 913 HA ALA 116 HA ALA 116 5.231 -7.652 -7.652 914 1HB ALA 116 3HB ALA 116 4.193 -5.296 -5.296 915 2HB ALA 116 2HB ALA 116 5.412 -4.873 -4.873 916 3HB ALA 116 1HB ALA 116 4.233 -6.135 -6.135 917 H LYS 117 H LYS 117 5.789 -6.929 -6.929 918 HA LYS 117 HA LYS 117 8.719 -7.197 -7.197 919 1HB LYS 117 2HB LYS 117 6.608 -8.904 -8.904 920 2HB LYS 117 1HB LYS 117 7.778 -8.403 -8.403 921 1HG LYS 117 2HG LYS 117 8.773 -9.457 -9.457 922 2HG LYS 117 1HG LYS 117 8.133 -10.585 -10.585 923 1HD LYS 117 2HD LYS 117 10.242 -10.565 -10.565 924 2HD LYS 117 1HD LYS 117 9.744 -9.051 -9.051 925 1HE LYS 117 2HE LYS 117 10.818 -7.751 -7.751 926 2HE LYS 117 1HE LYS 117 10.854 -9.058 -9.058 927 1HZ LYS 117 2HZ LYS 117 12.385 -10.183 -10.183 928 2HZ LYS 117 1HZ LYS 117 12.603 -8.616 -8.616 929 3HZ LYS 117 3HZ LYS 117 13.021 -8.978 -8.978 930 H ASP 118 H ASP 118 9.775 -6.138 -6.138 931 HA ASP 118 HA ASP 118 8.733 -3.703 -3.703 932 1HB ASP 118 2HB ASP 118 10.624 -3.580 -3.580 933 2HB ASP 118 1HB ASP 118 11.139 -4.199 -4.199 934 H ASP 119 H ASP 119 8.542 -6.862 -6.862 935 HA ASP 119 HA ASP 119 7.486 -5.896 -5.896 936 1HB ASP 119 2HB ASP 119 8.760 -8.162 -8.162 937 2HB ASP 119 1HB ASP 119 7.110 -8.730 -8.730 938 H GLN 120 H GLN 120 6.264 -6.848 -6.848 939 HA GLN 120 HA GLN 120 3.544 -7.183 -7.183 940 1HB GLN 120 2HB GLN 120 4.757 -7.175 -7.175 941 2HB GLN 120 1HB GLN 120 3.051 -7.445 -7.445 942 1HG GLN 120 2HG GLN 120 3.754 -9.387 -9.387 943 2HG GLN 120 1HG GLN 120 5.375 -9.176 -9.176 944 1HE2 GLN 120 2HE2 GLN 120 2.430 -10.202 -10.202 945 2HE2 GLN 120 1HE2 GLN 120 2.123 -9.045 -9.045 946 H LEU 121 H LEU 121 5.504 -4.572 -4.572 947 HA LEU 121 HA LEU 121 3.974 -2.834 -2.834 948 1HB LEU 121 2HB LEU 121 5.834 -2.344 -2.344 949 2HB LEU 121 1HB LEU 121 5.064 -1.025 -1.025 950 HG LEU 121 HG LEU 121 6.759 -3.083 -3.083 951 1HD1 LEU 121 3HD1 LEU 121 7.570 -0.567 -0.567 952 2HD1 LEU 121 2HD1 LEU 121 8.490 -1.191 -1.191 953 3HD1 LEU 121 1HD1 LEU 121 8.298 -2.172 -2.172 954 1HD2 LEU 121 2HD2 LEU 121 5.176 -0.825 -0.825 955 2HD2 LEU 121 1HD2 LEU 121 6.020 -2.020 -2.020 956 3HD2 LEU 121 3HD2 LEU 121 6.870 -0.580 -0.580 957 H LYS 122 H LYS 122 1.776 -2.999 -2.999 958 HA LYS 122 HA LYS 122 0.875 -2.005 -2.005 959 1HB LYS 122 2HB LYS 122 -0.116 -4.156 -4.156 960 2HB LYS 122 1HB LYS 122 -1.358 -3.131 -3.131 961 1HG LYS 122 2HG LYS 122 0.784 -4.543 -4.543 962 2HG LYS 122 1HG LYS 122 -0.855 -5.151 -5.151 963 1HD LYS 122 2HD LYS 122 -1.760 -3.665 -3.665 964 2HD LYS 122 1HD LYS 122 -0.621 -2.388 -2.388 965 1HE LYS 122 2HE LYS 122 1.138 -3.694 -3.694 966 2HE LYS 122 1HE LYS 122 -0.159 -4.730 -4.730 967 1HZ LYS 122 2HZ LYS 122 0.021 -1.796 -1.796 968 2HZ LYS 122 1HZ LYS 122 0.398 -2.977 -2.977 969 3HZ LYS 122 3HZ LYS 122 -1.193 -2.813 -2.813 970 H VAL 123 H VAL 123 1.123 0.181 0.181 971 HA VAL 123 HA VAL 123 -0.630 1.027 1.027 972 HB VAL 123 HB VAL 123 1.661 1.919 1.919 973 1HG1 VAL 123 3HG1 VAL 123 1.337 2.084 2.084 974 2HG1 VAL 123 2HG1 VAL 123 1.167 3.770 3.770 975 3HG1 VAL 123 1HG1 VAL 123 2.622 2.871 2.871 976 1HG2 VAL 123 3HG2 VAL 123 -0.574 3.897 3.897 977 2HG2 VAL 123 2HG2 VAL 123 0.057 3.261 3.261 978 3HG2 VAL 123 1HG2 VAL 123 1.040 4.353 4.353 979 H HIS 124 H HIS 124 -2.609 1.795 1.795 980 HA HIS 124 HA HIS 124 -3.199 2.978 2.978 981 1HB HIS 124 2HB HIS 124 -5.117 1.292 1.292 982 2HB HIS 124 1HB HIS 124 -5.384 1.952 1.952 983 HD1 HIS 124 HD1 HIS 124 -4.830 0.446 0.446 984 HD2 HIS 124 HD2 HIS 124 -2.945 -0.707 -0.707 985 HE1 HIS 124 HE1 HIS 124 -3.677 -1.725 -1.725 986 HE2 HIS 124 HE2 HIS 124 -2.635 -2.455 -2.455 987 H GLY 125 H GLY 125 -2.770 5.028 5.028 988 1HA GLY 125 2HA GLY 125 -4.222 5.946 5.946 989 2HA GLY 125 1HA GLY 125 -3.391 6.959 6.959 990 H PHE 126 HN PHE 126 -6.302 6.401 6.401 991 HA PHE 126 HA PHE 126 -8.180 6.266 6.266 992 1HB PHE 126 2HB PHE 126 -9.741 7.113 7.113 993 2HB PHE 126 1HB PHE 126 -8.509 6.370 6.370 994 HD1 PHE 126 HD1 PHE 126 -6.447 8.604 8.604 995 HD2 PHE 126 HD2 PHE 126 -10.626 8.632 8.632 996 HE1 PHE 126 HE1 PHE 126 -6.191 10.720 10.720 997 HE2 PHE 126 HE2 PHE 126 -10.377 10.748 10.748 998 HZ PHE 126 HZ PHE 126 -8.159 11.796 11.796 Start of MODEL 5 1 1H MET 1 3H MET 1 -32.029 -0.582 -0.582 2 2H MET 1 2H MET 1 -31.027 -1.881 -1.881 3 3H MET 1 1H MET 1 -30.429 -0.272 -0.272 4 HA MET 1 HA MET 1 -29.495 -1.238 -1.238 5 1HB MET 1 2HB MET 1 -31.447 -3.049 -3.049 6 2HB MET 1 1HB MET 1 -32.121 -2.081 -2.081 7 1HG MET 1 2HG MET 1 -30.463 -2.648 -2.648 8 2HG MET 1 1HG MET 1 -29.289 -2.963 -2.963 9 1HE MET 1 3HE MET 1 -29.311 -4.646 -4.646 10 2HE MET 1 2HE MET 1 -30.612 -5.813 -5.813 11 3HE MET 1 1HE MET 1 -29.196 -6.255 -6.255 12 H ARG 2 H ARG 2 -29.119 0.013 0.013 13 HA ARG 2 HA ARG 2 -31.114 2.103 2.103 14 1HB ARG 2 2HB ARG 2 -28.152 2.352 2.352 15 2HB ARG 2 1HB ARG 2 -29.357 3.631 3.631 16 1HG ARG 2 2HG ARG 2 -28.239 3.887 3.887 17 2HG ARG 2 1HG ARG 2 -29.683 2.981 2.981 18 1HD ARG 2 2HD ARG 2 -28.498 1.189 1.189 19 2HD ARG 2 1HD ARG 2 -27.438 1.283 1.283 20 HE ARG 2 HE ARG 2 -25.908 2.406 2.406 21 1HH1 ARG 2 2HH1 ARG 2 -28.990 2.465 2.465 22 2HH1 ARG 2 1HH1 ARG 2 -28.347 3.162 3.162 23 1HH2 ARG 2 1HH2 ARG 2 -25.062 3.323 3.323 24 2HH2 ARG 2 2HH2 ARG 2 -26.118 3.650 3.650 25 H GLY 3 H GLY 3 -31.143 -0.451 -0.451 26 1HA GLY 3 2HA GLY 3 -31.644 -1.129 -1.129 27 2HA GLY 3 1HA GLY 3 -31.031 0.408 0.408 28 H SER 4 H SER 4 -30.432 -2.894 -2.894 29 HA SER 4 HA SER 4 -27.556 -2.570 -2.570 30 1HB SER 4 2HB SER 4 -27.859 -5.244 -5.244 31 2HB SER 4 1HB SER 4 -27.620 -4.220 -4.220 32 HG SER 4 HG SER 4 -29.755 -4.329 -4.329 33 H HIS 5 H HIS 5 -28.510 -1.678 -1.678 34 HA HIS 5 HA HIS 5 -27.866 -3.537 -3.537 35 1HB HIS 5 2HB HIS 5 -30.026 -3.731 -3.731 36 2HB HIS 5 1HB HIS 5 -30.120 -4.394 -4.394 37 HD1 HIS 5 HD1 HIS 5 -31.398 -2.901 -2.901 38 HD2 HIS 5 HD2 HIS 5 -31.772 -1.679 -1.679 39 HE1 HIS 5 HE1 HIS 5 -33.344 -1.309 -1.309 40 HE2 HIS 5 HE2 HIS 5 -33.504 -0.525 -0.525 41 H HIS 6 H HIS 6 -27.450 -2.532 -2.532 42 HA HIS 6 HA HIS 6 -28.327 0.230 0.230 43 1HB HIS 6 2HB HIS 6 -25.869 -0.219 -0.219 44 2HB HIS 6 1HB HIS 6 -25.479 -0.207 -0.207 45 HD1 HIS 6 HD1 HIS 6 -25.124 2.006 2.006 46 HD2 HIS 6 HD2 HIS 6 -27.285 2.270 2.270 47 HE1 HIS 6 HE1 HIS 6 -25.409 4.467 4.467 48 HE2 HIS 6 HE2 HIS 6 -26.658 4.604 4.604 49 H HIS 7 H HIS 7 -26.450 -2.463 -2.463 50 HA HIS 7 HA HIS 7 -27.952 -2.403 -2.403 51 1HB HIS 7 2HB HIS 7 -25.459 -0.910 -0.910 52 2HB HIS 7 1HB HIS 7 -25.402 -2.153 -2.153 53 HD1 HIS 7 HD1 HIS 7 -28.040 -2.060 -2.060 54 HD2 HIS 7 HD2 HIS 7 -26.160 1.392 1.392 55 HE1 HIS 7 HE1 HIS 7 -29.058 -0.179 -0.179 56 HE2 HIS 7 HE2 HIS 7 -27.955 1.907 1.907 57 H HIS 8 H HIS 8 -24.794 -3.401 -3.401 58 HA HIS 8 HA HIS 8 -24.864 -5.905 -5.905 59 1HB HIS 8 2HB HIS 8 -22.911 -4.361 -4.361 60 2HB HIS 8 1HB HIS 8 -22.936 -5.982 -5.982 61 HD1 HIS 8 HD1 HIS 8 -22.438 -4.225 -4.225 62 HD2 HIS 8 HD2 HIS 8 -21.707 -7.903 -7.903 63 HE1 HIS 8 HE1 HIS 8 -21.010 -5.497 -5.497 64 HE2 HIS 8 HE2 HIS 8 -20.511 -7.686 -7.686 65 H HIS 9 H HIS 9 -25.312 -7.918 -7.918 66 HA HIS 9 HA HIS 9 -26.400 -8.041 -8.041 67 1HB HIS 9 2HB HIS 9 -27.440 -9.106 -9.106 68 2HB HIS 9 1HB HIS 9 -27.708 -10.066 -10.066 69 HD1 HIS 9 HD1 HIS 9 -27.738 -6.547 -6.547 70 HD2 HIS 9 HD2 HIS 9 -30.483 -9.289 -9.289 71 HE1 HIS 9 HE1 HIS 9 -29.997 -5.507 -5.507 72 HE2 HIS 9 HE2 HIS 9 -31.646 -7.223 -7.223 73 H HIS 10 H HIS 10 -26.175 -10.065 -10.065 74 HA HIS 10 HA HIS 10 -24.488 -12.122 -12.122 75 1HB HIS 10 2HB HIS 10 -22.800 -11.830 -11.830 76 2HB HIS 10 1HB HIS 10 -22.661 -10.754 -10.754 77 HD1 HIS 10 HD1 HIS 10 -25.292 -10.089 -10.089 78 HD2 HIS 10 HD2 HIS 10 -21.472 -8.768 -8.768 79 HE1 HIS 10 HE1 HIS 10 -24.938 -8.003 -8.003 80 HE2 HIS 10 HE2 HIS 10 -22.655 -7.172 -7.172 81 H THR 11 H THR 11 -26.967 -12.501 -12.501 82 HA THR 11 HA THR 11 -26.742 -13.704 -13.704 83 HB THR 11 HB THR 11 -29.424 -13.535 -13.535 84 HG1 THR 11 HG1 THR 11 -29.103 -12.344 -12.344 85 1HG2 THR 11 2HG2 THR 11 -27.980 -12.664 -12.664 86 2HG2 THR 11 1HG2 THR 11 -27.955 -11.141 -11.141 87 3HG2 THR 11 3HG2 THR 11 -29.489 -11.821 -11.821 88 H ASP 12 H ASP 12 -26.089 -15.733 -15.733 89 HA ASP 12 HA ASP 12 -27.740 -17.179 -17.179 90 1HB ASP 12 2HB ASP 12 -25.157 -18.105 -18.105 91 2HB ASP 12 1HB ASP 12 -25.952 -18.770 -18.770 92 HA PRO 13 HA PRO 13 -30.024 -19.197 -19.197 93 1HB PRO 13 2HB PRO 13 -30.113 -21.430 -21.430 94 2HB PRO 13 1HB PRO 13 -31.434 -20.640 -20.640 95 1HG PRO 13 2HG PRO 13 -31.012 -20.142 -20.142 96 2HG PRO 13 1HG PRO 13 -31.503 -18.849 -18.849 97 1HD PRO 13 2HD PRO 13 -28.817 -19.429 -19.429 98 2HD PRO 13 1HD PRO 13 -29.585 -17.866 -17.866 99 H MET 14 H MET 14 -27.448 -20.847 -20.847 100 HA MET 14 HA MET 14 -27.110 -23.059 -23.059 101 1HB MET 14 2HB MET 14 -25.182 -21.526 -21.526 102 2HB MET 14 1HB MET 14 -24.688 -22.954 -22.954 103 1HG MET 14 2HG MET 14 -26.832 -23.962 -23.962 104 2HG MET 14 1HG MET 14 -26.414 -22.713 -22.713 105 1HE MET 14 3HE MET 14 -26.536 -25.986 -25.986 106 2HE MET 14 2HE MET 14 -26.164 -25.432 -25.432 107 3HE MET 14 1HE MET 14 -25.118 -26.613 -26.613 108 H SER 15 H SER 15 -26.205 -19.739 -19.739 109 HA SER 15 HA SER 15 -24.281 -20.201 -20.201 110 1HB SER 15 2HB SER 15 -24.232 -17.840 -17.840 111 2HB SER 15 1HB SER 15 -24.483 -18.113 -18.113 112 HG SER 15 HG SER 15 -25.998 -16.724 -16.724 113 H ALA 16 H ALA 16 -27.741 -19.880 -19.880 114 HA ALA 16 HA ALA 16 -27.955 -19.559 -19.559 115 1HB ALA 16 2HB ALA 16 -30.014 -19.644 -19.644 116 2HB ALA 16 1HB ALA 16 -30.418 -19.530 -19.530 117 3HB ALA 16 3HB ALA 16 -29.489 -18.246 -18.246 118 H ILE 17 H ILE 17 -26.697 -21.883 -21.883 119 HA ILE 17 HA ILE 17 -28.778 -23.923 -23.923 120 HB ILE 17 HB ILE 17 -26.028 -24.421 -24.421 121 1HG1 ILE 17 2HG1 ILE 17 -28.701 -24.360 -24.360 122 2HG1 ILE 17 1HG1 ILE 17 -27.451 -23.129 -23.129 123 1HG2 ILE 17 2HG2 ILE 17 -27.638 -26.172 -26.172 124 2HG2 ILE 17 1HG2 ILE 17 -28.176 -26.388 -26.388 125 3HG2 ILE 17 3HG2 ILE 17 -26.479 -26.621 -26.621 126 1HD1 ILE 17 1HD1 ILE 17 -26.887 -25.985 -25.985 127 2HD1 ILE 17 3HD1 ILE 17 -27.645 -24.892 -24.892 128 3HD1 ILE 17 2HD1 ILE 17 -26.043 -24.527 -24.527 129 H GLN 18 H GLN 18 -28.868 -24.235 -24.235 130 HA GLN 18 HA GLN 18 -28.264 -24.766 -24.766 131 1HB GLN 18 2HB GLN 18 -26.974 -26.538 -26.538 132 2HB GLN 18 1HB GLN 18 -25.553 -25.611 -25.611 133 1HG GLN 18 2HG GLN 18 -26.086 -25.956 -25.956 134 2HG GLN 18 1HG GLN 18 -27.518 -26.877 -26.877 135 1HE2 GLN 18 2HE2 GLN 18 -23.799 -28.523 -28.523 136 2HE2 GLN 18 1HE2 GLN 18 -24.013 -26.818 -26.818 137 H ASN 19 H ASN 19 -27.743 -22.111 -22.111 138 HA ASN 19 HA ASN 19 -25.328 -21.361 -21.361 139 1HB ASN 19 2HB ASN 19 -26.023 -20.616 -20.616 140 2HB ASN 19 1HB ASN 19 -26.764 -19.310 -19.310 141 1HD2 ASN 19 2HD2 ASN 19 -23.465 -18.464 -18.464 142 2HD2 ASN 19 1HD2 ASN 19 -24.979 -19.012 -19.012 143 H LEU 20 H LEU 20 -27.896 -22.075 -22.075 144 HA LEU 20 HA LEU 20 -28.268 -19.610 -19.610 145 1HB LEU 20 2HB LEU 20 -30.146 -20.512 -20.512 146 2HB LEU 20 1HB LEU 20 -30.754 -21.097 -21.097 147 HG LEU 20 HG LEU 20 -30.559 -18.741 -18.741 148 1HD1 LEU 20 1HD1 LEU 20 -29.008 -18.240 -18.240 149 2HD1 LEU 20 3HD1 LEU 20 -30.558 -17.739 -17.739 150 3HD1 LEU 20 2HD1 LEU 20 -29.957 -16.989 -16.989 151 1HD2 LEU 20 3HD2 LEU 20 -32.386 -19.222 -19.222 152 2HD2 LEU 20 2HD2 LEU 20 -32.696 -19.678 -19.678 153 3HD2 LEU 20 1HD2 LEU 20 -32.601 -17.975 -17.975 154 H HIS 21 H HIS 21 -26.793 -22.035 -22.035 155 HA HIS 21 HA HIS 21 -28.281 -22.977 -22.977 156 1HB HIS 21 2HB HIS 21 -28.147 -24.731 -24.731 157 2HB HIS 21 1HB HIS 21 -26.391 -24.619 -24.619 158 HD1 HIS 21 HD1 HIS 21 -28.779 -24.803 -24.803 159 HD2 HIS 21 HD2 HIS 21 -25.708 -26.971 -26.971 160 HE1 HIS 21 HE1 HIS 21 -28.330 -26.727 -26.727 161 HE2 HIS 21 HE2 HIS 21 -26.421 -27.987 -27.987 162 H SER 22 H SER 22 -26.158 -20.854 -20.854 163 HA SER 22 HA SER 22 -24.292 -20.028 -20.028 164 1HB SER 22 2HB SER 22 -24.141 -20.316 -20.316 165 2HB SER 22 1HB SER 22 -25.853 -20.540 -20.540 166 HG SER 22 HG SER 22 -24.415 -22.176 -22.176 167 H PHE 23 H PHE 23 -22.332 -21.043 -21.043 168 HA PHE 23 HA PHE 23 -20.376 -22.201 -22.201 169 1HB PHE 23 2HB PHE 23 -21.791 -24.110 -24.110 170 2HB PHE 23 1HB PHE 23 -22.158 -24.368 -24.368 171 HD1 PHE 23 HD2 PHE 23 -19.361 -24.328 -24.328 172 HD2 PHE 23 HD1 PHE 23 -20.807 -25.740 -25.740 173 HE1 PHE 23 HE2 PHE 23 -17.409 -25.815 -25.815 174 HE2 PHE 23 HE1 PHE 23 -18.859 -27.230 -27.230 175 HZ PHE 23 HZ PHE 23 -17.156 -27.268 -27.268 176 H ASP 24 H ASP 24 -19.114 -21.132 -21.132 177 HA ASP 24 HA ASP 24 -18.413 -22.344 -22.344 178 1HB ASP 24 2HB ASP 24 -20.547 -20.317 -20.317 179 2HB ASP 24 1HB ASP 24 -19.212 -20.060 -20.060 180 HA PRO 25 HA PRO 25 -14.732 -19.984 -19.984 181 1HB PRO 25 2HB PRO 25 -14.983 -19.201 -19.201 182 2HB PRO 25 1HB PRO 25 -13.628 -19.955 -19.955 183 1HG PRO 25 2HG PRO 25 -15.185 -21.383 -21.383 184 2HG PRO 25 1HG PRO 25 -14.564 -22.073 -22.073 185 1HD PRO 25 2HD PRO 25 -17.301 -21.077 -21.077 186 2HD PRO 25 1HD PRO 25 -16.808 -22.435 -22.435 187 H PHE 26 H PHE 26 -17.510 -18.500 -18.500 188 HA PHE 26 HA PHE 26 -16.513 -15.844 -15.844 189 1HB PHE 26 2HB PHE 26 -18.533 -15.170 -15.170 190 2HB PHE 26 1HB PHE 26 -16.935 -15.535 -15.535 191 HD1 PHE 26 HD1 PHE 26 -16.501 -17.874 -17.874 192 HD2 PHE 26 HD2 PHE 26 -20.403 -16.398 -16.398 193 HE1 PHE 26 HE1 PHE 26 -17.468 -19.631 -19.631 194 HE2 PHE 26 HE2 PHE 26 -21.378 -18.153 -18.153 195 HZ PHE 26 HZ PHE 26 -19.910 -19.773 -19.773 196 H ALA 27 H ALA 27 -17.513 -17.396 -17.396 197 HA ALA 27 HA ALA 27 -19.544 -15.769 -15.769 198 1HB ALA 27 3HB ALA 27 -20.819 -17.178 -17.178 199 2HB ALA 27 2HB ALA 27 -20.568 -18.525 -18.525 200 3HB ALA 27 1HB ALA 27 -21.465 -17.101 -17.101 201 H ASP 28 H ASP 28 -17.693 -15.922 -15.922 202 HA ASP 28 HA ASP 28 -18.204 -17.972 -17.972 203 1HB ASP 28 2HB ASP 28 -15.874 -17.993 -17.993 204 2HB ASP 28 1HB ASP 28 -15.410 -17.848 -17.848 205 H ALA 29 H ALA 29 -16.648 -17.531 -17.531 206 HA ALA 29 HA ALA 29 -15.967 -14.734 -14.734 207 1HB ALA 29 1HB ALA 29 -18.285 -16.009 -16.009 208 2HB ALA 29 3HB ALA 29 -17.378 -14.704 -14.704 209 3HB ALA 29 2HB ALA 29 -18.183 -14.432 -14.432 210 H SER 30 H SER 30 -14.973 -14.323 -14.323 211 HA SER 30 HA SER 30 -14.224 -16.398 -16.398 212 1HB SER 30 2HB SER 30 -12.880 -16.728 -16.728 213 2HB SER 30 1HB SER 30 -11.785 -15.613 -15.613 214 HG SER 30 HG SER 30 -11.782 -18.127 -18.127 215 H LYS 31 H LYS 31 -11.837 -15.588 -15.588 216 HA LYS 31 HA LYS 31 -11.777 -12.710 -12.710 217 1HB LYS 31 2HB LYS 31 -11.949 -12.893 -12.893 218 2HB LYS 31 1HB LYS 31 -13.447 -13.062 -13.062 219 1HG LYS 31 2HG LYS 31 -13.290 -15.499 -15.499 220 2HG LYS 31 1HG LYS 31 -11.804 -15.311 -15.311 221 1HD LYS 31 2HD LYS 31 -14.407 -14.035 -14.035 222 2HD LYS 31 1HD LYS 31 -13.939 -15.657 -15.657 223 1HE LYS 31 2HE LYS 31 -11.699 -14.276 -14.276 224 2HE LYS 31 1HE LYS 31 -12.919 -13.025 -13.025 225 1HZ LYS 31 2HZ LYS 31 -13.874 -15.354 -15.354 226 2HZ LYS 31 1HZ LYS 31 -12.267 -15.177 -15.177 227 3HZ LYS 31 3HZ LYS 31 -13.377 -13.928 -13.928 228 H GLY 32 H GLY 32 -9.712 -12.129 -12.129 229 1HA GLY 32 2HA GLY 32 -7.493 -12.108 -12.108 230 2HA GLY 32 1HA GLY 32 -7.814 -13.518 -13.518 231 H ASP 33 H ASP 33 -6.118 -14.785 -14.785 232 HA ASP 33 HA ASP 33 -6.312 -16.309 -16.309 233 1HB ASP 33 2HB ASP 33 -5.271 -13.911 -13.911 234 2HB ASP 33 1HB ASP 33 -3.795 -14.756 -14.756 235 H ASP 34 H ASP 34 -5.987 -18.046 -18.046 236 HA ASP 34 HA ASP 34 -4.851 -19.630 -19.630 237 1HB ASP 34 2HB ASP 34 -3.234 -19.194 -19.194 238 2HB ASP 34 1HB ASP 34 -2.298 -18.242 -18.242 239 H LEU 35 H LEU 35 -5.768 -18.555 -18.555 240 HA LEU 35 HA LEU 35 -4.091 -16.786 -16.786 241 1HB LEU 35 2HB LEU 35 -6.822 -17.738 -17.738 242 2HB LEU 35 1HB LEU 35 -6.084 -17.802 -17.802 243 HG LEU 35 HG LEU 35 -5.542 -15.424 -15.424 244 1HD1 LEU 35 1HD1 LEU 35 -5.334 -15.466 -15.466 245 2HD1 LEU 35 3HD1 LEU 35 -7.089 -15.302 -15.302 246 3HD1 LEU 35 2HD1 LEU 35 -6.104 -14.049 -14.049 247 1HD2 LEU 35 1HD2 LEU 35 -7.911 -16.452 -16.452 248 2HD2 LEU 35 3HD2 LEU 35 -7.623 -14.712 -14.712 249 3HD2 LEU 35 2HD2 LEU 35 -8.401 -15.486 -15.486 250 H LEU 36 H LEU 36 -2.444 -17.419 -17.419 251 HA LEU 36 HA LEU 36 -2.001 -20.189 -20.189 252 1HB LEU 36 2HB LEU 36 -0.462 -17.837 -17.837 253 2HB LEU 36 1HB LEU 36 0.090 -19.492 -19.492 254 HG LEU 36 HG LEU 36 -0.642 -17.820 -17.820 255 1HD1 LEU 36 1HD1 LEU 36 1.248 -16.943 -16.943 256 2HD1 LEU 36 3HD1 LEU 36 2.198 -18.147 -18.147 257 3HD1 LEU 36 2HD1 LEU 36 1.404 -16.843 -16.843 258 1HD2 LEU 36 3HD2 LEU 36 -0.230 -20.453 -20.453 259 2HD2 LEU 36 2HD2 LEU 36 0.255 -19.486 -19.486 260 3HD2 LEU 36 1HD2 LEU 36 1.444 -19.919 -19.919 261 HA PRO 37 HA PRO 37 -3.802 -20.410 -20.410 262 1HB PRO 37 2HB PRO 37 -2.123 -22.127 -22.127 263 2HB PRO 37 1HB PRO 37 -3.260 -22.643 -22.643 264 1HG PRO 37 2HG PRO 37 -0.331 -22.065 -22.065 265 2HG PRO 37 1HG PRO 37 -1.264 -23.400 -23.400 266 1HD PRO 37 2HD PRO 37 -0.538 -21.223 -21.223 267 2HD PRO 37 1HD PRO 37 -2.047 -22.107 -22.107 268 H ALA 38 H ALA 38 -0.375 -19.654 -19.654 269 HA ALA 38 HA ALA 38 -0.669 -17.901 -17.901 270 1HB ALA 38 1HB ALA 38 0.716 -20.301 -20.301 271 2HB ALA 38 3HB ALA 38 1.975 -19.082 -19.082 272 3HB ALA 38 2HB ALA 38 0.835 -18.960 -18.960 273 H GLY 39 H GLY 39 -0.885 -16.403 -16.403 274 1HA GLY 39 2HA GLY 39 1.795 -15.567 -15.567 275 2HA GLY 39 1HA GLY 39 0.381 -15.498 -15.498 276 H THR 40 H THR 40 0.061 -14.700 -14.700 277 HA THR 40 HA THR 40 -0.250 -11.870 -11.870 278 HB THR 40 HB THR 40 -1.561 -11.981 -11.981 279 HG1 THR 40 HG1 THR 40 -1.478 -14.065 -14.065 280 1HG2 THR 40 2HG2 THR 40 -2.731 -12.868 -12.868 281 2HG2 THR 40 1HG2 THR 40 -3.652 -12.346 -12.346 282 3HG2 THR 40 3HG2 THR 40 -2.590 -11.209 -11.209 283 H GLU 41 H GLU 41 1.514 -14.071 -14.071 284 HA GLU 41 HA GLU 41 3.248 -13.803 -13.803 285 1HB GLU 41 2HB GLU 41 3.265 -11.418 -11.418 286 2HB GLU 41 1HB GLU 41 3.843 -11.069 -11.069 287 1HG GLU 41 2HG GLU 41 5.002 -13.508 -13.508 288 2HG GLU 41 1HG GLU 41 5.284 -12.166 -12.166 289 H ASP 42 H ASP 42 0.299 -12.925 -12.925 290 HA ASP 42 HA ASP 42 -0.880 -12.117 -12.117 291 1HB ASP 42 2HB ASP 42 0.843 -13.996 -13.996 292 2HB ASP 42 1HB ASP 42 1.333 -12.625 -12.625 293 H TYR 43 H TYR 43 -0.111 -10.003 -10.003 294 HA TYR 43 HA TYR 43 1.732 -8.276 -8.276 295 1HB TYR 43 2HB TYR 43 -0.855 -7.577 -7.577 296 2HB TYR 43 1HB TYR 43 0.465 -6.455 -6.455 297 HD1 TYR 43 HD2 TYR 43 2.551 -8.827 -8.827 298 HD2 TYR 43 HD1 TYR 43 -0.682 -7.028 -7.028 299 HE1 TYR 43 HE2 TYR 43 3.589 -9.466 -9.466 300 HE2 TYR 43 HE1 TYR 43 0.352 -7.661 -7.661 301 HH TYR 43 HH TYR 43 1.951 -9.331 -9.331 302 H ILE 44 H ILE 44 1.197 -6.206 -6.206 303 HA ILE 44 HA ILE 44 -0.755 -6.758 -6.758 304 HB ILE 44 HB ILE 44 1.814 -5.178 -5.178 305 1HG1 ILE 44 2HG1 ILE 44 2.224 -7.566 -7.566 306 2HG1 ILE 44 1HG1 ILE 44 2.481 -6.975 -6.975 307 1HG2 ILE 44 1HG2 ILE 44 -0.258 -5.774 -5.774 308 2HG2 ILE 44 3HG2 ILE 44 1.306 -5.011 -5.011 309 3HG2 ILE 44 2HG2 ILE 44 0.097 -4.194 -4.194 310 1HD1 ILE 44 1HD1 ILE 44 0.008 -7.700 -7.700 311 2HD1 ILE 44 3HD1 ILE 44 0.313 -8.707 -8.707 312 3HD1 ILE 44 2HD1 ILE 44 1.301 -8.899 -8.899 313 H HIS 45 H HIS 45 -2.482 -5.730 -5.730 314 HA HIS 45 HA HIS 45 -2.443 -3.206 -3.206 315 1HB HIS 45 2HB HIS 45 -4.360 -5.206 -5.206 316 2HB HIS 45 1HB HIS 45 -4.989 -3.674 -3.674 317 HD1 HIS 45 HD1 HIS 45 -3.783 -5.299 -5.299 318 HD2 HIS 45 HD2 HIS 45 -5.973 -2.000 -2.000 319 HE1 HIS 45 HE1 HIS 45 -4.764 -4.306 -4.306 320 HE2 HIS 45 HE2 HIS 45 -6.149 -2.356 -2.356 321 H ILE 46 H ILE 46 -2.587 -1.195 -1.195 322 HA ILE 46 HA ILE 46 -2.512 -0.758 -0.758 323 HB ILE 46 HB ILE 46 -2.005 1.192 1.192 324 1HG1 ILE 46 2HG1 ILE 46 -0.365 -0.708 -0.708 325 2HG1 ILE 46 1HG1 ILE 46 0.328 0.901 0.901 326 1HG2 ILE 46 2HG2 ILE 46 -2.281 1.527 1.527 327 2HG2 ILE 46 1HG2 ILE 46 -0.798 2.213 2.213 328 3HG2 ILE 46 3HG2 ILE 46 -2.363 2.721 2.721 329 1HD1 ILE 46 2HD1 ILE 46 -0.265 0.295 0.295 330 2HD1 ILE 46 1HD1 ILE 46 0.142 -1.290 -1.290 331 3HD1 ILE 46 3HD1 ILE 46 1.300 0.035 0.035 332 H ARG 47 H ARG 47 -3.711 1.826 1.826 333 HA ARG 47 HA ARG 47 -5.808 2.646 2.646 334 1HB ARG 47 2HB ARG 47 -6.499 0.117 0.117 335 2HB ARG 47 1HB ARG 47 -7.132 0.706 0.706 336 1HG ARG 47 2HG ARG 47 -8.975 0.946 0.946 337 2HG ARG 47 1HG ARG 47 -8.234 2.532 2.532 338 1HD ARG 47 2HD ARG 47 -8.515 2.050 2.050 339 2HD ARG 47 1HD ARG 47 -7.009 1.159 1.159 340 HE ARG 47 HE ARG 47 -9.340 -0.414 -0.414 341 1HH1 ARG 47 2HH1 ARG 47 -7.227 0.732 0.732 342 2HH1 ARG 47 1HH1 ARG 47 -7.598 -0.576 -0.576 343 1HH2 ARG 47 1HH2 ARG 47 -9.829 -2.133 -2.133 344 2HH2 ARG 47 2HH2 ARG 47 -9.076 -2.202 -2.202 345 H ILE 48 H ILE 48 -6.204 4.507 4.507 346 HA ILE 48 HA ILE 48 -6.024 4.809 4.809 347 HB ILE 48 HB ILE 48 -5.662 6.671 6.671 348 1HG1 ILE 48 2HG1 ILE 48 -4.210 6.302 6.302 349 2HG1 ILE 48 1HG1 ILE 48 -3.725 5.617 5.617 350 1HG2 ILE 48 1HG2 ILE 48 -6.532 7.533 7.533 351 2HG2 ILE 48 3HG2 ILE 48 -5.751 8.606 8.606 352 3HG2 ILE 48 2HG2 ILE 48 -7.315 7.884 7.884 353 1HD1 ILE 48 3HD1 ILE 48 -3.950 8.567 8.567 354 2HD1 ILE 48 2HD1 ILE 48 -2.456 7.639 7.639 355 3HD1 ILE 48 1HD1 ILE 48 -3.257 7.782 7.782 356 H GLN 49 H GLN 49 -7.647 6.059 6.059 357 HA GLN 49 HA GLN 49 -10.204 6.330 6.330 358 1HB GLN 49 2HB GLN 49 -11.417 5.296 5.296 359 2HB GLN 49 1HB GLN 49 -10.260 4.169 4.169 360 1HG GLN 49 2HG GLN 49 -8.747 5.190 5.190 361 2HG GLN 49 1HG GLN 49 -10.338 5.406 5.406 362 1HE2 GLN 49 2HE2 GLN 49 -10.820 2.052 2.052 363 2HE2 GLN 49 1HE2 GLN 49 -11.445 3.663 3.663 364 H GLN 50 H GLN 50 -10.234 8.518 8.518 365 HA GLN 50 HA GLN 50 -9.934 9.882 9.882 366 1HB GLN 50 2HB GLN 50 -8.904 10.479 10.479 367 2HB GLN 50 1HB GLN 50 -10.242 11.606 11.606 368 1HG GLN 50 2HG GLN 50 -9.300 12.436 12.436 369 2HG GLN 50 1HG GLN 50 -8.000 11.254 11.254 370 1HE2 GLN 50 2HE2 GLN 50 -5.993 13.544 13.544 371 2HE2 GLN 50 1HE2 GLN 50 -6.210 12.352 12.352 372 H ARG 51 H ARG 51 -11.833 9.987 9.987 373 HA ARG 51 HA ARG 51 -14.362 9.784 9.784 374 1HB ARG 51 2HB ARG 51 -13.248 10.793 10.793 375 2HB ARG 51 1HB ARG 51 -14.891 11.291 11.291 376 1HG ARG 51 2HG ARG 51 -15.466 9.376 9.376 377 2HG ARG 51 1HG ARG 51 -15.011 8.634 8.634 378 1HD ARG 51 2HD ARG 51 -12.621 8.609 8.609 379 2HD ARG 51 1HD ARG 51 -13.519 8.730 8.730 380 HE ARG 51 HE ARG 51 -14.156 6.550 6.550 381 1HH1 ARG 51 2HH1 ARG 51 -12.992 7.729 7.729 382 2HH1 ARG 51 1HH1 ARG 51 -13.053 6.177 6.177 383 1HH2 ARG 51 1HH2 ARG 51 -14.239 4.505 4.505 384 2HH2 ARG 51 2HH2 ARG 51 -13.762 4.346 4.346 385 H ASN 52 H ASN 52 -13.464 12.878 12.878 386 HA ASN 52 HA ASN 52 -15.033 14.239 14.239 387 1HB ASN 52 2HB ASN 52 -13.775 15.451 15.451 388 2HB ASN 52 1HB ASN 52 -15.066 16.127 16.127 389 1HD2 ASN 52 2HD2 ASN 52 -15.855 13.515 13.515 390 2HD2 ASN 52 1HD2 ASN 52 -14.247 13.993 13.993 391 H GLY 53 H GLY 53 -12.257 13.166 13.166 392 1HA GLY 53 2HA GLY 53 -10.595 13.857 13.857 393 2HA GLY 53 1HA GLY 53 -11.271 15.479 15.479 394 H ARG 54 H ARG 54 -10.630 13.942 13.942 395 HA ARG 54 HA ARG 54 -7.985 15.109 15.109 396 1HB ARG 54 2HB ARG 54 -8.585 16.354 16.354 397 2HB ARG 54 1HB ARG 54 -9.369 16.978 16.978 398 1HG ARG 54 2HG ARG 54 -11.303 16.849 16.849 399 2HG ARG 54 1HG ARG 54 -11.142 15.094 15.094 400 1HD ARG 54 2HD ARG 54 -11.543 16.120 16.120 401 2HD ARG 54 1HD ARG 54 -10.097 15.118 15.118 402 HE ARG 54 HE ARG 54 -8.849 16.961 16.961 403 1HH1 ARG 54 2HH1 ARG 54 -11.964 18.025 18.025 404 2HH1 ARG 54 1HH1 ARG 54 -11.653 19.697 19.697 405 1HH2 ARG 54 1HH2 ARG 54 -8.437 19.161 19.161 406 2HH2 ARG 54 2HH2 ARG 54 -9.650 20.342 20.342 407 H LYS 55 H LYS 55 -10.602 13.293 13.293 408 HA LYS 55 HA LYS 55 -8.846 12.142 12.142 409 1HB LYS 55 2HB LYS 55 -11.668 11.393 11.393 410 2HB LYS 55 1HB LYS 55 -10.806 10.770 10.770 411 1HG LYS 55 2HG LYS 55 -11.601 13.636 13.636 412 2HG LYS 55 1HG LYS 55 -12.358 12.508 12.508 413 1HD LYS 55 2HD LYS 55 -9.487 13.430 13.430 414 2HD LYS 55 1HD LYS 55 -10.801 14.056 14.056 415 1HE LYS 55 2HE LYS 55 -9.854 11.193 11.193 416 2HE LYS 55 1HE LYS 55 -9.454 12.378 12.378 417 1HZ LYS 55 1HZ LYS 55 -11.868 12.571 12.571 418 2HZ LYS 55 3HZ LYS 55 -12.144 11.296 11.296 419 3HZ LYS 55 2HZ LYS 55 -11.244 11.034 11.034 420 H THR 56 H THR 56 -7.430 11.583 11.583 421 HA THR 56 HA THR 56 -8.116 9.380 9.380 422 HB THR 56 HB THR 56 -5.260 9.730 9.730 423 HG1 THR 56 HG1 THR 56 -5.187 11.805 11.805 424 1HG2 THR 56 3HG2 THR 56 -6.981 9.262 9.262 425 2HG2 THR 56 2HG2 THR 56 -5.809 10.538 10.538 426 3HG2 THR 56 1HG2 THR 56 -5.257 8.946 8.946 427 H LEU 57 H LEU 57 -7.284 7.231 7.231 428 HA LEU 57 HA LEU 57 -6.085 6.257 6.257 429 1HB LEU 57 2HB LEU 57 -8.945 5.940 5.940 430 2HB LEU 57 1HB LEU 57 -8.125 4.459 4.459 431 HG LEU 57 HG LEU 57 -7.885 6.914 6.914 432 1HD1 LEU 57 2HD1 LEU 57 -10.228 5.130 5.130 433 2HD1 LEU 57 1HD1 LEU 57 -9.765 5.575 5.575 434 3HD1 LEU 57 3HD1 LEU 57 -10.149 6.830 6.830 435 1HD2 LEU 57 1HD2 LEU 57 -7.282 4.027 4.027 436 2HD2 LEU 57 3HD2 LEU 57 -6.431 5.421 5.421 437 3HD2 LEU 57 2HD2 LEU 57 -7.897 4.827 4.827 438 H THR 58 H THR 58 -4.487 5.874 5.874 439 HA THR 58 HA THR 58 -4.839 4.219 4.219 440 HB THR 58 HB THR 58 -2.394 4.438 4.438 441 HG1 THR 58 HG1 THR 58 -3.324 6.396 6.396 442 1HG2 THR 58 3HG2 THR 58 -2.723 3.397 3.397 443 2HG2 THR 58 2HG2 THR 58 -1.180 3.968 3.968 444 3HG2 THR 58 1HG2 THR 58 -1.994 2.596 2.596 445 H THR 59 H THR 59 -4.722 2.020 2.020 446 HA THR 59 HA THR 59 -4.545 0.279 0.279 447 HB THR 59 HB THR 59 -6.307 -1.047 -1.047 448 HG1 THR 59 HG1 THR 59 -6.960 0.588 0.588 449 1HG2 THR 59 3HG2 THR 59 -6.526 0.387 0.387 450 2HG2 THR 59 2HG2 THR 59 -8.037 0.068 0.068 451 3HG2 THR 59 1HG2 THR 59 -6.965 -1.267 -1.267 452 H VAL 60 H VAL 60 -3.708 -1.781 -1.781 453 HA VAL 60 HA VAL 60 -2.449 -2.191 -2.191 454 HB VAL 60 HB VAL 60 -1.334 -3.024 -3.024 455 1HG1 VAL 60 1HG1 VAL 60 -0.830 -4.447 -4.447 456 2HG1 VAL 60 3HG1 VAL 60 0.109 -3.063 -3.063 457 3HG1 VAL 60 2HG1 VAL 60 0.542 -3.869 -3.869 458 1HG2 VAL 60 2HG2 VAL 60 -0.880 -0.655 -0.655 459 2HG2 VAL 60 1HG2 VAL 60 -0.934 -0.771 -0.771 460 3HG2 VAL 60 3HG2 VAL 60 0.489 -1.334 -1.334 461 H GLN 61 H GLN 61 -3.365 -3.825 -3.825 462 HA GLN 61 HA GLN 61 -4.421 -6.078 -6.078 463 1HB GLN 61 2HB GLN 61 -5.163 -6.142 -6.142 464 2HB GLN 61 1HB GLN 61 -6.190 -6.126 -6.126 465 1HG GLN 61 2HG GLN 61 -5.810 -3.623 -3.623 466 2HG GLN 61 1HG GLN 61 -5.109 -3.790 -3.790 467 1HE2 GLN 61 2HE2 GLN 61 -8.430 -5.148 -5.148 468 2HE2 GLN 61 1HE2 GLN 61 -6.885 -5.877 -5.877 469 H GLY 62 H GLY 62 -3.837 -8.177 -8.177 470 1HA GLY 62 2HA GLY 62 -2.811 -9.765 -9.765 471 2HA GLY 62 1HA GLY 62 -1.693 -8.489 -8.489 472 H ILE 63 H ILE 63 -1.186 -7.576 -7.576 473 HA ILE 63 HA ILE 63 1.070 -8.959 -8.959 474 HB ILE 63 HB ILE 63 -0.777 -7.454 -7.454 475 1HG1 ILE 63 2HG1 ILE 63 -0.023 -5.909 -5.909 476 2HG1 ILE 63 1HG1 ILE 63 1.165 -5.748 -5.748 477 1HG2 ILE 63 1HG2 ILE 63 1.769 -8.838 -8.838 478 2HG2 ILE 63 3HG2 ILE 63 1.640 -7.205 -7.205 479 3HG2 ILE 63 2HG2 ILE 63 0.458 -8.435 -8.435 480 1HD1 ILE 63 2HD1 ILE 63 2.614 -7.337 -7.337 481 2HD1 ILE 63 1HD1 ILE 63 1.468 -7.150 -7.150 482 3HD1 ILE 63 3HD1 ILE 63 2.355 -5.750 -5.750 483 H ALA 64 H ALA 64 1.634 -10.491 -10.491 484 HA ALA 64 HA ALA 64 -0.348 -12.576 -12.576 485 1HB ALA 64 3HB ALA 64 2.560 -12.400 -12.400 486 2HB ALA 64 2HB ALA 64 1.907 -13.494 -13.494 487 3HB ALA 64 1HB ALA 64 1.508 -13.730 -13.730 488 H ASP 65 H ASP 65 -1.059 -13.459 -13.459 489 HA ASP 65 HA ASP 65 -1.338 -11.662 -11.662 490 1HB ASP 65 2HB ASP 65 -2.297 -14.368 -14.368 491 2HB ASP 65 1HB ASP 65 -2.165 -14.038 -14.038 492 H ASP 66 H ASP 66 1.021 -13.973 -13.973 493 HA ASP 66 HA ASP 66 1.909 -14.716 -14.716 494 1HB ASP 66 2HB ASP 66 2.880 -15.018 -15.018 495 2HB ASP 66 1HB ASP 66 4.124 -15.045 -15.045 496 H TYR 67 H TYR 67 2.409 -11.956 -11.956 497 HA TYR 67 HA TYR 67 4.824 -10.952 -10.952 498 1HB TYR 67 2HB TYR 67 2.267 -9.570 -9.570 499 2HB TYR 67 1HB TYR 67 3.737 -8.682 -8.682 500 HD1 TYR 67 HD1 TYR 67 4.176 -11.897 -11.897 501 HD2 TYR 67 HD2 TYR 67 3.540 -7.746 -7.746 502 HE1 TYR 67 HE1 TYR 67 4.927 -12.153 -12.153 503 HE2 TYR 67 HE2 TYR 67 4.288 -7.981 -7.981 504 HH TYR 67 HH TYR 67 4.421 -9.837 -9.837 505 H ASP 68 H ASP 68 4.727 -8.671 -8.671 506 HA ASP 68 HA ASP 68 3.674 -9.354 -9.354 507 1HB ASP 68 2HB ASP 68 5.729 -7.232 -7.232 508 2HB ASP 68 1HB ASP 68 5.365 -7.953 -7.953 509 H LYS 69 H LYS 69 1.537 -8.648 -8.648 510 HA LYS 69 HA LYS 69 0.685 -6.307 -6.307 511 1HB LYS 69 2HB LYS 69 -0.492 -7.637 -7.637 512 2HB LYS 69 1HB LYS 69 -1.327 -6.494 -6.494 513 1HG LYS 69 2HG LYS 69 -1.835 -8.065 -8.065 514 2HG LYS 69 1HG LYS 69 -0.209 -8.749 -8.749 515 1HD LYS 69 2HD LYS 69 -0.760 -10.315 -10.315 516 2HD LYS 69 1HD LYS 69 -1.844 -9.230 -9.230 517 1HE LYS 69 2HE LYS 69 -2.509 -10.449 -10.449 518 2HE LYS 69 1HE LYS 69 -2.947 -11.189 -11.189 519 1HZ LYS 69 1HZ LYS 69 -4.041 -8.955 -8.955 520 2HZ LYS 69 3HZ LYS 69 -3.917 -8.654 -8.654 521 3HZ LYS 69 2HZ LYS 69 -4.815 -9.975 -9.975 522 H LYS 70 H LYS 70 1.752 -6.772 -6.772 523 HA LYS 70 HA LYS 70 1.199 -4.119 -4.119 524 1HB LYS 70 2HB LYS 70 3.248 -5.991 -5.991 525 2HB LYS 70 1HB LYS 70 2.417 -4.665 -4.665 526 1HG LYS 70 2HG LYS 70 0.274 -6.036 -6.036 527 2HG LYS 70 1HG LYS 70 1.414 -7.378 -7.378 528 1HD LYS 70 2HD LYS 70 1.511 -7.556 -7.556 529 2HD LYS 70 1HD LYS 70 1.930 -5.850 -5.850 530 1HE LYS 70 2HE LYS 70 -0.210 -5.225 -5.225 531 2HE LYS 70 1HE LYS 70 -0.898 -6.476 -6.476 532 1HZ LYS 70 3HZ LYS 70 0.101 -7.991 -7.991 533 2HZ LYS 70 2HZ LYS 70 -0.164 -6.591 -6.591 534 3HZ LYS 70 1HZ LYS 70 -1.452 -7.326 -7.326 535 H LYS 71 H LYS 71 4.312 -5.726 -5.726 536 HA LYS 71 HA LYS 71 5.899 -3.440 -3.440 537 1HB LYS 71 2HB LYS 71 6.227 -6.180 -6.180 538 2HB LYS 71 1HB LYS 71 7.037 -5.163 -5.163 539 1HG LYS 71 2HG LYS 71 8.654 -5.662 -5.662 540 2HG LYS 71 1HG LYS 71 8.147 -4.005 -4.005 541 1HD LYS 71 2HD LYS 71 8.218 -5.062 -5.062 542 2HD LYS 71 1HD LYS 71 6.508 -5.010 -5.010 543 1HE LYS 71 2HE LYS 71 6.903 -7.360 -7.360 544 2HE LYS 71 1HE LYS 71 8.386 -7.347 -7.347 545 1HZ LYS 71 1HZ LYS 71 5.922 -6.606 -6.606 546 2HZ LYS 71 3HZ LYS 71 6.097 -8.235 -8.235 547 3HZ LYS 71 2HZ LYS 71 7.252 -7.489 -7.489 548 H LEU 72 H LEU 72 3.962 -4.688 -4.688 549 HA LEU 72 HA LEU 72 5.098 -3.209 -3.209 550 1HB LEU 72 2HB LEU 72 2.448 -4.498 -4.498 551 2HB LEU 72 1HB LEU 72 2.614 -3.400 -3.400 552 HG LEU 72 HG LEU 72 3.770 -4.894 -4.894 553 1HD1 LEU 72 1HD1 LEU 72 5.195 -5.624 -5.624 554 2HD1 LEU 72 3HD1 LEU 72 5.462 -6.476 -6.476 555 3HD1 LEU 72 2HD1 LEU 72 5.824 -4.752 -4.752 556 1HD2 LEU 72 3HD2 LEU 72 1.881 -6.168 -6.168 557 2HD2 LEU 72 2HD2 LEU 72 2.732 -6.867 -6.867 558 3HD2 LEU 72 1HD2 LEU 72 3.307 -7.173 -7.173 559 H VAL 73 H VAL 73 2.114 -2.465 -2.465 560 HA VAL 73 HA VAL 73 2.060 0.215 0.215 561 HB VAL 73 HB VAL 73 0.236 0.534 0.534 562 1HG1 VAL 73 2HG1 VAL 73 0.171 -1.370 -1.370 563 2HG1 VAL 73 1HG1 VAL 73 -1.256 -1.249 -1.249 564 3HG1 VAL 73 3HG1 VAL 73 -0.640 0.182 0.182 565 1HG2 VAL 73 3HG2 VAL 73 1.303 -1.735 -1.735 566 2HG2 VAL 73 2HG2 VAL 73 -0.282 -1.058 -1.058 567 3HG2 VAL 73 1HG2 VAL 73 -0.132 -2.348 -2.348 568 H LYS 74 H LYS 74 3.326 -1.366 -1.366 569 HA LYS 74 HA LYS 74 3.653 0.962 0.962 570 1HB LYS 74 2HB LYS 74 3.690 -1.247 -1.247 571 2HB LYS 74 1HB LYS 74 5.089 -1.701 -1.701 572 1HG LYS 74 2HG LYS 74 5.694 0.680 0.680 573 2HG LYS 74 1HG LYS 74 5.037 -0.527 -0.527 574 1HD LYS 74 2HD LYS 74 6.799 -1.935 -1.935 575 2HD LYS 74 1HD LYS 74 7.047 -1.469 -1.469 576 1HE LYS 74 2HE LYS 74 7.717 0.832 0.832 577 2HE LYS 74 1HE LYS 74 8.139 -0.288 -0.288 578 1HZ LYS 74 1HZ LYS 74 9.098 -0.568 -0.568 579 2HZ LYS 74 3HZ LYS 74 9.976 0.210 0.210 580 3HZ LYS 74 2HZ LYS 74 9.619 -1.438 -1.438 581 H ALA 75 H ALA 75 5.903 -0.909 -0.909 582 HA ALA 75 HA ALA 75 8.106 0.812 0.812 583 1HB ALA 75 2HB ALA 75 7.396 -1.075 -1.075 584 2HB ALA 75 1HB ALA 75 8.956 -0.271 -0.271 585 3HB ALA 75 3HB ALA 75 8.414 -1.422 -1.422 586 H PHE 76 H PHE 76 5.485 0.687 0.687 587 HA PHE 76 HA PHE 76 6.277 2.551 2.551 588 1HB PHE 76 2HB PHE 76 4.070 1.204 1.204 589 2HB PHE 76 1HB PHE 76 3.468 2.600 2.600 590 HD1 PHE 76 HD1 PHE 76 5.194 1.747 1.747 591 HD2 PHE 76 HD2 PHE 76 2.470 4.314 4.314 592 HE1 PHE 76 HE1 PHE 76 4.689 2.870 2.870 593 HE2 PHE 76 HE2 PHE 76 1.955 5.441 5.441 594 HZ PHE 76 HZ PHE 76 3.065 4.718 4.718 595 H LYS 77 H LYS 77 4.484 3.270 3.270 596 HA LYS 77 HA LYS 77 4.477 6.052 6.052 597 1HB LYS 77 2HB LYS 77 4.242 4.175 4.175 598 2HB LYS 77 1HB LYS 77 4.367 5.904 5.904 599 1HG LYS 77 2HG LYS 77 2.406 6.208 6.208 600 2HG LYS 77 1HG LYS 77 2.230 4.453 4.453 601 1HD LYS 77 2HD LYS 77 2.145 6.228 6.228 602 2HD LYS 77 1HD LYS 77 0.746 5.508 5.508 603 1HE LYS 77 2HE LYS 77 1.495 3.297 3.297 604 2HE LYS 77 1HE LYS 77 3.025 3.918 3.918 605 1HZ LYS 77 2HZ LYS 77 0.400 4.637 4.637 606 2HZ LYS 77 1HZ LYS 77 1.329 3.334 3.334 607 3HZ LYS 77 3HZ LYS 77 1.936 4.910 4.910 608 H LYS 78 H LYS 78 7.045 3.912 3.912 609 HA LYS 78 HA LYS 78 8.644 5.877 5.877 610 1HB LYS 78 2HB LYS 78 8.738 3.364 3.364 611 2HB LYS 78 1HB LYS 78 9.584 3.261 3.261 612 1HG LYS 78 2HG LYS 78 11.306 3.291 3.291 613 2HG LYS 78 1HG LYS 78 11.204 4.980 4.980 614 1HD LYS 78 2HD LYS 78 9.490 5.032 5.032 615 2HD LYS 78 1HD LYS 78 10.542 3.722 3.722 616 1HE LYS 78 2HE LYS 78 12.402 5.091 5.091 617 2HE LYS 78 1HE LYS 78 11.736 6.269 6.269 618 1HZ LYS 78 1HZ LYS 78 9.979 6.506 6.506 619 2HZ LYS 78 3HZ LYS 78 11.295 5.993 5.993 620 3HZ LYS 78 2HZ LYS 78 11.421 7.390 7.390 621 H LYS 79 H LYS 79 8.024 5.003 5.003 622 HA LYS 79 HA LYS 79 10.483 6.304 6.304 623 1HB LYS 79 2HB LYS 79 10.064 4.086 4.086 624 2HB LYS 79 1HB LYS 79 8.490 4.608 4.608 625 1HG LYS 79 2HG LYS 79 9.418 5.946 5.946 626 2HG LYS 79 1HG LYS 79 11.002 5.977 5.977 627 1HD LYS 79 2HD LYS 79 11.257 3.572 3.572 628 2HD LYS 79 1HD LYS 79 9.700 3.592 3.592 629 1HE LYS 79 2HE LYS 79 11.315 3.779 3.779 630 2HE LYS 79 1HE LYS 79 10.679 5.408 5.408 631 1HZ LYS 79 3HZ LYS 79 12.715 5.476 5.476 632 2HZ LYS 79 2HZ LYS 79 13.330 4.356 4.356 633 3HZ LYS 79 1HZ LYS 79 12.866 5.896 5.896 634 H PHE 80 H PHE 80 6.958 6.432 6.432 635 HA PHE 80 HA PHE 80 7.286 9.101 9.101 636 1HB PHE 80 2HB PHE 80 4.800 7.528 7.528 637 2HB PHE 80 1HB PHE 80 5.599 8.716 8.716 638 HD1 PHE 80 HD1 PHE 80 5.775 5.233 5.233 639 HD2 PHE 80 HD2 PHE 80 7.120 8.055 8.055 640 HE1 PHE 80 HE1 PHE 80 6.798 3.413 3.413 641 HE2 PHE 80 HE2 PHE 80 8.144 6.238 6.238 642 HZ PHE 80 HZ PHE 80 7.984 3.912 3.912 643 H ALA 81 H ALA 81 6.053 7.390 7.390 644 HA ALA 81 HA ALA 81 4.805 8.020 8.020 645 1HB ALA 81 3HB ALA 81 6.233 10.011 10.011 646 2HB ALA 81 2HB ALA 81 5.110 10.795 10.795 647 3HB ALA 81 1HB ALA 81 4.594 10.395 10.395 648 H CYS 82 H CYS 82 3.467 7.074 7.074 649 HA CYS 82 HA CYS 82 1.025 8.705 8.705 650 1HB CYS 82 2HB CYS 82 1.939 6.470 6.470 651 2HB CYS 82 1HB CYS 82 0.436 7.368 7.368 652 HG CYS 82 HG CYS 82 1.651 9.218 9.218 653 H ASN 83 H ASN 83 -0.859 7.968 7.968 654 HA ASN 83 HA ASN 83 -0.904 5.852 5.852 655 1HB ASN 83 2HB ASN 83 -2.859 7.722 7.722 656 2HB ASN 83 1HB ASN 83 -3.544 6.194 6.194 657 1HD2 ASN 83 2HD2 ASN 83 -2.342 6.779 6.779 658 2HD2 ASN 83 1HD2 ASN 83 -2.168 5.568 5.568 659 H GLY 84 H GLY 84 -0.478 3.820 3.820 660 1HA GLY 84 2HA GLY 84 -1.876 2.786 2.786 661 2HA GLY 84 1HA GLY 84 -0.386 2.124 2.124 662 H THR 85 H THR 85 -3.400 1.281 1.281 663 HA THR 85 HA THR 85 -3.544 -0.241 -0.241 664 HB THR 85 HB THR 85 -5.933 0.006 0.006 665 HG1 THR 85 HG1 THR 85 -5.629 1.355 1.355 666 1HG2 THR 85 2HG2 THR 85 -4.565 2.637 2.637 667 2HG2 THR 85 1HG2 THR 85 -6.228 2.491 2.491 668 3HG2 THR 85 3HG2 THR 85 -4.908 1.840 1.840 669 H VAL 86 H VAL 86 -4.514 -2.309 -2.309 670 HA VAL 86 HA VAL 86 -4.309 -3.504 -3.504 671 HB VAL 86 HB VAL 86 -2.977 -4.527 -4.527 672 1HG1 VAL 86 1HG1 VAL 86 -4.447 -4.030 -4.030 673 2HG1 VAL 86 3HG1 VAL 86 -5.649 -5.159 -5.159 674 3HG1 VAL 86 2HG1 VAL 86 -4.083 -5.755 -5.755 675 1HG2 VAL 86 1HG2 VAL 86 -4.316 -5.796 -5.796 676 2HG2 VAL 86 3HG2 VAL 86 -3.268 -6.631 -6.631 677 3HG2 VAL 86 2HG2 VAL 86 -5.014 -6.605 -6.605 678 H ILE 87 H ILE 87 -6.041 -4.346 -4.346 679 HA ILE 87 HA ILE 87 -8.493 -4.911 -4.911 680 HB ILE 87 HB ILE 87 -9.880 -3.623 -3.623 681 1HG1 ILE 87 2HG1 ILE 87 -7.361 -2.171 -2.171 682 2HG1 ILE 87 1HG1 ILE 87 -7.969 -3.534 -3.534 683 1HG2 ILE 87 2HG2 ILE 87 -9.167 -2.768 -2.768 684 2HG2 ILE 87 1HG2 ILE 87 -7.929 -1.828 -1.828 685 3HG2 ILE 87 3HG2 ILE 87 -9.636 -1.532 -1.532 686 1HD1 ILE 87 2HD1 ILE 87 -9.587 -1.076 -1.076 687 2HD1 ILE 87 1HD1 ILE 87 -8.624 -1.291 -1.291 688 3HD1 ILE 87 3HD1 ILE 87 -9.975 -2.374 -2.374 689 H GLU 88 H GLU 88 -9.749 -6.472 -6.472 690 HA GLU 88 HA GLU 88 -8.617 -7.799 -7.799 691 1HB GLU 88 2HB GLU 88 -9.140 -8.986 -8.986 692 2HB GLU 88 1HB GLU 88 -10.817 -8.912 -8.912 693 1HG GLU 88 2HG GLU 88 -10.460 -10.344 -10.344 694 2HG GLU 88 1HG GLU 88 -8.721 -10.053 -10.053 695 H HIS 89 H HIS 89 -9.527 -6.009 -6.009 696 HA HIS 89 HA HIS 89 -12.223 -5.460 -5.460 697 1HB HIS 89 2HB HIS 89 -10.010 -4.492 -4.492 698 2HB HIS 89 1HB HIS 89 -10.528 -5.541 -5.541 699 HD1 HIS 89 HD1 HIS 89 -12.211 -4.590 -4.590 700 HD2 HIS 89 HD2 HIS 89 -12.092 -2.544 -2.544 701 HE1 HIS 89 HE1 HIS 89 -13.763 -2.634 -2.634 702 HE2 HIS 89 HE2 HIS 89 -13.599 -1.355 -1.355 703 HA PRO 90 HA PRO 90 -13.701 -9.316 -9.316 704 1HB PRO 90 2HB PRO 90 -16.239 -8.562 -8.562 705 2HB PRO 90 1HB PRO 90 -15.653 -8.852 -8.852 706 1HG PRO 90 2HG PRO 90 -16.024 -6.259 -6.259 707 2HG PRO 90 1HG PRO 90 -16.431 -6.673 -6.673 708 1HD PRO 90 2HD PRO 90 -14.180 -5.302 -5.302 709 2HD PRO 90 1HD PRO 90 -14.280 -6.343 -6.343 710 H GLU 91 H GLU 91 -13.467 -6.323 -6.323 711 HA GLU 91 HA GLU 91 -14.431 -7.334 -7.334 712 1HB GLU 91 2HB GLU 91 -14.048 -4.781 -4.781 713 2HB GLU 91 1HB GLU 91 -13.003 -4.866 -4.866 714 1HG GLU 91 2HG GLU 91 -15.194 -3.932 -3.932 715 2HG GLU 91 1HG GLU 91 -14.885 -5.432 -5.432 716 H TYR 92 H TYR 92 -11.445 -7.023 -7.023 717 HA TYR 92 HA TYR 92 -9.993 -7.921 -7.921 718 1HB TYR 92 2HB TYR 92 -8.567 -6.504 -6.504 719 2HB TYR 92 1HB TYR 92 -8.168 -6.587 -6.587 720 HD1 TYR 92 HD2 TYR 92 -10.574 -5.674 -5.674 721 HD2 TYR 92 HD1 TYR 92 -8.788 -4.267 -4.267 722 HE1 TYR 92 HE2 TYR 92 -11.614 -3.476 -3.476 723 HE2 TYR 92 HE1 TYR 92 -9.822 -2.062 -2.062 724 HH TYR 92 HH TYR 92 -11.002 -1.000 -1.000 725 H GLY 93 H GLY 93 -9.783 -7.877 -7.877 726 1HA GLY 93 2HA GLY 93 -9.773 -9.964 -9.964 727 2HA GLY 93 1HA GLY 93 -8.932 -10.699 -10.699 728 H GLU 94 H GLU 94 -8.627 -8.925 -8.925 729 HA GLU 94 HA GLU 94 -6.845 -8.424 -8.424 730 1HB GLU 94 2HB GLU 94 -6.250 -10.799 -10.799 731 2HB GLU 94 1HB GLU 94 -5.253 -10.208 -10.208 732 1HG GLU 94 2HG GLU 94 -4.848 -9.315 -9.315 733 2HG GLU 94 1HG GLU 94 -4.082 -10.760 -10.760 734 H VAL 95 H VAL 95 -6.697 -6.251 -6.251 735 HA VAL 95 HA VAL 95 -4.434 -5.536 -5.536 736 HB VAL 95 HB VAL 95 -5.655 -3.624 -3.624 737 1HG1 VAL 95 2HG1 VAL 95 -5.811 -6.276 -6.276 738 2HG1 VAL 95 1HG1 VAL 95 -7.480 -5.713 -5.713 739 3HG1 VAL 95 3HG1 VAL 95 -6.216 -4.876 -4.876 740 1HG2 VAL 95 1HG2 VAL 95 -8.067 -4.857 -4.857 741 2HG2 VAL 95 3HG2 VAL 95 -7.322 -3.312 -3.312 742 3HG2 VAL 95 2HG2 VAL 95 -8.104 -3.526 -3.526 743 H ILE 96 H ILE 96 -3.297 -3.729 -3.729 744 HA ILE 96 HA ILE 96 -3.893 -2.839 -2.839 745 HB ILE 96 HB ILE 96 -1.448 -2.906 -2.906 746 1HG1 ILE 96 2HG1 ILE 96 -2.122 -4.524 -4.524 747 2HG1 ILE 96 1HG1 ILE 96 -0.481 -3.886 -3.886 748 1HG2 ILE 96 2HG2 ILE 96 -1.956 -0.792 -0.792 749 2HG2 ILE 96 1HG2 ILE 96 -0.331 -1.323 -1.323 750 3HG2 ILE 96 3HG2 ILE 96 -1.375 -0.590 -0.590 751 1HD1 ILE 96 1HD1 ILE 96 -2.276 -2.201 -2.201 752 2HD1 ILE 96 3HD1 ILE 96 -2.380 -3.873 -3.873 753 3HD1 ILE 96 2HD1 ILE 96 -0.824 -3.048 -3.048 754 H GLN 97 H GLN 97 -4.843 -0.972 -0.972 755 HA GLN 97 HA GLN 97 -5.192 0.927 0.927 756 1HB GLN 97 2HB GLN 97 -6.902 -0.038 -0.038 757 2HB GLN 97 1HB GLN 97 -6.568 1.624 1.624 758 1HG GLN 97 2HG GLN 97 -7.125 2.147 2.147 759 2HG GLN 97 1HG GLN 97 -7.923 0.576 0.576 760 1HE2 GLN 97 2HE2 GLN 97 -10.100 1.814 1.814 761 2HE2 GLN 97 1HE2 GLN 97 -8.880 0.600 0.600 762 H LEU 98 H LEU 98 -3.695 2.451 2.451 763 HA LEU 98 HA LEU 98 -2.458 3.533 3.533 764 1HB LEU 98 2HB LEU 98 -1.748 3.894 3.894 765 2HB LEU 98 1HB LEU 98 -0.884 4.623 4.623 766 HG LEU 98 HG LEU 98 -1.182 1.650 1.650 767 1HD1 LEU 98 3HD1 LEU 98 -0.241 2.863 2.863 768 2HD1 LEU 98 2HD1 LEU 98 1.235 2.817 2.817 769 3HD1 LEU 98 1HD1 LEU 98 0.377 1.322 1.322 770 1HD2 LEU 98 1HD2 LEU 98 0.406 3.653 3.653 771 2HD2 LEU 98 3HD2 LEU 98 -0.072 2.023 2.023 772 3HD2 LEU 98 2HD2 LEU 98 1.325 2.260 2.260 773 H GLN 99 H GLN 99 -2.263 5.857 5.857 774 HA GLN 99 HA GLN 99 -4.694 7.196 7.196 775 1HB GLN 99 2HB GLN 99 -2.830 7.502 7.502 776 2HB GLN 99 1HB GLN 99 -3.484 9.004 9.004 777 1HG GLN 99 2HG GLN 99 -5.421 6.832 6.832 778 2HG GLN 99 1HG GLN 99 -4.681 7.555 7.555 779 1HE2 GLN 99 2HE2 GLN 99 -7.403 9.586 9.586 780 2HE2 GLN 99 1HE2 GLN 99 -6.761 8.068 8.068 781 H GLY 100 H GLY 100 -4.757 8.886 8.886 782 1HA GLY 100 2HA GLY 100 -3.989 10.666 10.666 783 2HA GLY 100 1HA GLY 100 -2.375 10.395 10.395 784 H ASP 101 H ASP 101 -2.388 10.983 10.983 785 HA ASP 101 HA ASP 101 -2.734 8.720 8.720 786 1HB ASP 101 2HB ASP 101 -1.573 10.172 10.172 787 2HB ASP 101 1HB ASP 101 -2.991 10.914 10.914 788 H GLN 102 H GLN 102 -1.483 7.037 7.037 789 HA GLN 102 HA GLN 102 1.423 7.474 7.474 790 1HB GLN 102 2HB GLN 102 -0.432 5.790 5.790 791 2HB GLN 102 1HB GLN 102 1.054 4.987 4.987 792 1HG GLN 102 2HG GLN 102 1.026 6.126 6.126 793 2HG GLN 102 1HG GLN 102 2.390 6.478 6.478 794 1HE2 GLN 102 2HE2 GLN 102 -0.456 9.405 9.405 795 2HE2 GLN 102 1HE2 GLN 102 -0.895 7.754 7.754 796 H ARG 103 H ARG 103 -0.760 6.578 6.578 797 HA ARG 103 HA ARG 103 -0.155 4.084 4.084 798 1HB ARG 103 2HB ARG 103 -1.156 4.709 4.709 799 2HB ARG 103 1HB ARG 103 -1.803 5.904 5.904 800 1HG ARG 103 2HG ARG 103 0.566 6.384 6.384 801 2HG ARG 103 1HG ARG 103 -1.096 6.815 6.815 802 1HD ARG 103 2HD ARG 103 -0.428 7.808 7.808 803 2HD ARG 103 1HD ARG 103 0.780 8.333 8.333 804 HE ARG 103 HE ARG 103 -1.937 8.707 8.707 805 1HH1 ARG 103 2HH1 ARG 103 0.728 10.109 10.109 806 2HH1 ARG 103 1HH1 ARG 103 0.176 11.736 11.736 807 1HH2 ARG 103 1HH2 ARG 103 -2.663 10.846 10.846 808 2HH2 ARG 103 2HH2 ARG 103 -1.748 12.155 12.155 809 H LYS 104 H LYS 104 1.847 6.915 6.915 810 HA LYS 104 HA LYS 104 3.763 5.629 5.629 811 1HB LYS 104 2HB LYS 104 2.993 8.083 8.083 812 2HB LYS 104 1HB LYS 104 4.043 8.390 8.390 813 1HG LYS 104 2HG LYS 104 5.482 6.869 6.869 814 2HG LYS 104 1HG LYS 104 4.729 8.255 8.255 815 1HD LYS 104 2HD LYS 104 6.419 8.404 8.404 816 2HD LYS 104 1HD LYS 104 7.003 8.735 8.735 817 1HE LYS 104 2HE LYS 104 4.952 10.392 10.392 818 2HE LYS 104 1HE LYS 104 5.163 10.318 10.318 819 1HZ LYS 104 3HZ LYS 104 7.664 10.728 10.728 820 2HZ LYS 104 2HZ LYS 104 6.886 11.497 11.497 821 3HZ LYS 104 1HZ LYS 104 6.585 11.996 11.996 822 H ASN 105 H ASN 105 3.261 6.417 6.417 823 HA ASN 105 HA ASN 105 6.062 6.059 6.059 824 1HB ASN 105 2HB ASN 105 3.576 6.687 6.687 825 2HB ASN 105 1HB ASN 105 5.098 6.287 6.287 826 1HD2 ASN 105 2HD2 ASN 105 4.433 9.962 9.962 827 2HD2 ASN 105 1HD2 ASN 105 3.242 8.708 8.708 828 H ILE 106 H ILE 106 2.981 4.347 4.347 829 HA ILE 106 HA ILE 106 4.001 2.261 2.261 830 HB ILE 106 HB ILE 106 1.565 2.789 2.789 831 1HG1 ILE 106 2HG1 ILE 106 0.847 0.544 0.544 832 2HG1 ILE 106 1HG1 ILE 106 2.229 -0.116 -0.116 833 1HG2 ILE 106 1HG2 ILE 106 1.694 2.884 2.884 834 2HG2 ILE 106 3HG2 ILE 106 1.872 1.131 1.131 835 3HG2 ILE 106 2HG2 ILE 106 0.394 1.862 1.862 836 1HD1 ILE 106 3HD1 ILE 106 2.654 1.528 1.528 837 2HD1 ILE 106 2HD1 ILE 106 2.172 -0.163 -0.163 838 3HD1 ILE 106 1HD1 ILE 106 3.668 0.264 0.264 839 H CYS 107 H CYS 107 3.511 2.436 2.436 840 HA CYS 107 HA CYS 107 4.496 -0.113 -0.113 841 1HB CYS 107 2HB CYS 107 4.951 0.822 0.822 842 2HB CYS 107 1HB CYS 107 3.357 1.286 1.286 843 HG CYS 107 HG CYS 107 4.217 3.477 3.477 844 H GLN 108 H GLN 108 6.063 2.947 2.947 845 HA GLN 108 HA GLN 108 8.708 2.121 2.121 846 1HB GLN 108 2HB GLN 108 8.535 4.409 4.409 847 2HB GLN 108 1HB GLN 108 7.407 4.479 4.479 848 1HG GLN 108 2HG GLN 108 9.117 5.353 5.353 849 2HG GLN 108 1HG GLN 108 9.683 3.691 3.691 850 1HE2 GLN 108 2HE2 GLN 108 12.355 4.057 4.057 851 2HE2 GLN 108 1HE2 GLN 108 11.280 2.943 2.943 852 H PHE 109 H PHE 109 6.707 2.074 2.074 853 HA PHE 109 HA PHE 109 8.778 1.402 1.402 854 1HB PHE 109 2HB PHE 109 6.678 2.444 2.444 855 2HB PHE 109 1HB PHE 109 5.777 1.037 1.037 856 HD1 PHE 109 HD2 PHE 109 8.499 2.018 2.018 857 HD2 PHE 109 HD1 PHE 109 5.328 -0.686 -0.686 858 HE1 PHE 109 HE2 PHE 109 8.790 0.990 0.990 859 HE2 PHE 109 HE1 PHE 109 5.611 -1.724 -1.724 860 HZ PHE 109 HZ PHE 109 7.344 -0.885 -0.885 861 H LEU 110 H LEU 110 6.294 -0.409 -0.409 862 HA LEU 110 HA LEU 110 6.725 -2.941 -2.941 863 1HB LEU 110 2HB LEU 110 5.661 -1.867 -1.867 864 2HB LEU 110 1HB LEU 110 6.065 -3.571 -3.571 865 HG LEU 110 HG LEU 110 4.436 -4.029 -4.029 866 1HD1 LEU 110 1HD1 LEU 110 4.975 -2.033 -2.033 867 2HD1 LEU 110 3HD1 LEU 110 3.946 -1.079 -1.079 868 3HD1 LEU 110 2HD1 LEU 110 3.256 -2.403 -2.403 869 1HD2 LEU 110 3HD2 LEU 110 3.719 -3.239 -3.239 870 2HD2 LEU 110 2HD2 LEU 110 2.524 -3.644 -3.644 871 3HD2 LEU 110 1HD2 LEU 110 2.927 -1.956 -1.956 872 H VAL 111 H VAL 111 8.540 -1.142 -1.142 873 HA VAL 111 HA VAL 111 10.216 -3.452 -3.452 874 HB VAL 111 HB VAL 111 10.300 -0.641 -0.641 875 1HG1 VAL 111 1HG1 VAL 111 11.835 -3.131 -3.131 876 2HG1 VAL 111 3HG1 VAL 111 11.705 -1.731 -1.731 877 3HG1 VAL 111 2HG1 VAL 111 12.477 -1.571 -1.571 878 1HG2 VAL 111 3HG2 VAL 111 8.393 -2.531 -2.531 879 2HG2 VAL 111 2HG2 VAL 111 8.847 -1.253 -1.253 880 3HG2 VAL 111 1HG2 VAL 111 9.551 -2.863 -2.863 881 H GLU 112 H GLU 112 10.273 -0.443 -0.443 882 HA GLU 112 HA GLU 112 13.081 -0.291 -0.291 883 1HB GLU 112 2HB GLU 112 10.705 0.952 0.952 884 2HB GLU 112 1HB GLU 112 12.305 1.135 1.135 885 1HG GLU 112 2HG GLU 112 12.168 1.731 1.731 886 2HG GLU 112 1HG GLU 112 11.205 2.798 2.798 887 H ILE 113 H ILE 113 10.458 -1.827 -1.827 888 HA ILE 113 HA ILE 113 12.335 -2.754 -2.754 889 HB ILE 113 HB ILE 113 10.477 -3.365 -3.365 890 1HG1 ILE 113 2HG1 ILE 113 8.710 -2.921 -2.921 891 2HG1 ILE 113 1HG1 ILE 113 9.160 -4.490 -4.490 892 1HG2 ILE 113 3HG2 ILE 113 10.925 -0.836 -0.836 893 2HG2 ILE 113 2HG2 ILE 113 9.281 -0.953 -0.953 894 3HG2 ILE 113 1HG2 ILE 113 9.601 -1.308 -1.308 895 1HD1 ILE 113 1HD1 ILE 113 7.949 -2.708 -2.708 896 2HD1 ILE 113 3HD1 ILE 113 6.894 -3.112 -3.112 897 3HD1 ILE 113 2HD1 ILE 113 7.603 -4.396 -4.396 898 H GLY 114 H GLY 114 10.389 -3.900 -3.900 899 1HA GLY 114 2HA GLY 114 11.029 -5.882 -5.882 900 2HA GLY 114 1HA GLY 114 11.622 -6.556 -6.556 901 H LEU 115 H LEU 115 8.585 -4.874 -4.874 902 HA LEU 115 HA LEU 115 7.166 -7.118 -7.118 903 1HB LEU 115 2HB LEU 115 6.772 -4.524 -4.524 904 2HB LEU 115 1HB LEU 115 5.778 -4.745 -4.745 905 HG LEU 115 HG LEU 115 4.415 -6.392 -6.392 906 1HD1 LEU 115 2HD1 LEU 115 6.255 -5.745 -5.745 907 2HD1 LEU 115 1HD1 LEU 115 4.700 -6.554 -6.554 908 3HD1 LEU 115 3HD1 LEU 115 5.983 -7.316 -7.316 909 1HD2 LEU 115 3HD2 LEU 115 4.052 -3.844 -3.844 910 2HD2 LEU 115 2HD2 LEU 115 3.153 -4.854 -4.854 911 3HD2 LEU 115 1HD2 LEU 115 4.574 -3.959 -3.959 912 H ALA 116 H ALA 116 6.354 -5.195 -5.195 913 HA ALA 116 HA ALA 116 5.198 -7.573 -7.573 914 1HB ALA 116 3HB ALA 116 4.037 -5.335 -5.335 915 2HB ALA 116 2HB ALA 116 5.264 -4.791 -4.791 916 3HB ALA 116 1HB ALA 116 4.187 -6.116 -6.116 917 H LYS 117 H LYS 117 5.582 -7.109 -7.109 918 HA LYS 117 HA LYS 117 8.505 -7.369 -7.369 919 1HB LYS 117 2HB LYS 117 6.344 -9.073 -9.073 920 2HB LYS 117 1HB LYS 117 7.297 -8.532 -8.532 921 1HG LYS 117 2HG LYS 117 8.144 -10.632 -10.632 922 2HG LYS 117 1HG LYS 117 9.328 -9.353 -9.353 923 1HD LYS 117 2HD LYS 117 7.437 -9.778 -9.778 924 2HD LYS 117 1HD LYS 117 8.515 -11.138 -11.138 925 1HE LYS 117 2HE LYS 117 9.944 -8.627 -8.627 926 2HE LYS 117 1HE LYS 117 9.095 -8.837 -8.837 927 1HZ LYS 117 2HZ LYS 117 10.834 -10.930 -10.930 928 2HZ LYS 117 1HZ LYS 117 11.407 -9.760 -9.760 929 3HZ LYS 117 3HZ LYS 117 10.218 -10.857 -10.857 930 H ASP 118 H ASP 118 9.508 -6.391 -6.391 931 HA ASP 118 HA ASP 118 8.472 -3.923 -3.923 932 1HB ASP 118 2HB ASP 118 10.520 -5.438 -5.438 933 2HB ASP 118 1HB ASP 118 10.359 -3.694 -3.694 934 H ASP 119 H ASP 119 8.222 -7.097 -7.097 935 HA ASP 119 HA ASP 119 7.096 -6.161 -6.161 936 1HB ASP 119 2HB ASP 119 8.355 -8.444 -8.444 937 2HB ASP 119 1HB ASP 119 6.693 -8.974 -8.974 938 H GLN 120 H GLN 120 5.965 -6.935 -6.935 939 HA GLN 120 HA GLN 120 3.211 -7.276 -7.276 940 1HB GLN 120 2HB GLN 120 4.425 -7.222 -7.222 941 2HB GLN 120 1HB GLN 120 2.751 -7.609 -7.609 942 1HG GLN 120 2HG GLN 120 3.646 -9.501 -9.501 943 2HG GLN 120 1HG GLN 120 5.211 -9.189 -9.189 944 1HE2 GLN 120 2HE2 GLN 120 3.457 -9.904 -9.904 945 2HE2 GLN 120 1HE2 GLN 120 3.969 -8.431 -8.431 946 H LEU 121 H LEU 121 5.233 -4.702 -4.702 947 HA LEU 121 HA LEU 121 3.745 -2.933 -2.933 948 1HB LEU 121 2HB LEU 121 5.649 -2.496 -2.496 949 2HB LEU 121 1HB LEU 121 4.891 -1.151 -1.151 950 HG LEU 121 HG LEU 121 6.526 -3.226 -3.226 951 1HD1 LEU 121 2HD1 LEU 121 7.396 -0.692 -0.692 952 2HD1 LEU 121 1HD1 LEU 121 8.300 -1.404 -1.404 953 3HD1 LEU 121 3HD1 LEU 121 8.074 -2.314 -2.314 954 1HD2 LEU 121 2HD2 LEU 121 4.823 -1.281 -1.281 955 2HD2 LEU 121 1HD2 LEU 121 6.134 -2.033 -2.033 956 3HD2 LEU 121 3HD2 LEU 121 6.402 -0.499 -0.499 957 H LYS 122 H LYS 122 1.544 -3.136 -3.136 958 HA LYS 122 HA LYS 122 0.691 -2.109 -2.109 959 1HB LYS 122 2HB LYS 122 -0.382 -4.193 -4.193 960 2HB LYS 122 1HB LYS 122 -1.578 -3.158 -3.158 961 1HG LYS 122 2HG LYS 122 0.568 -4.641 -4.641 962 2HG LYS 122 1HG LYS 122 -1.068 -5.252 -5.252 963 1HD LYS 122 2HD LYS 122 -1.970 -3.829 -3.829 964 2HD LYS 122 1HD LYS 122 -0.859 -2.522 -2.522 965 1HE LYS 122 2HE LYS 122 0.835 -3.377 -3.377 966 2HE LYS 122 1HE LYS 122 0.070 -4.962 -4.962 967 1HZ LYS 122 3HZ LYS 122 -1.069 -2.480 -2.480 968 2HZ LYS 122 2HZ LYS 122 -0.158 -3.608 -3.608 969 3HZ LYS 122 1HZ LYS 122 -1.647 -4.057 -4.057 970 H VAL 123 H VAL 123 0.944 0.082 0.082 971 HA VAL 123 HA VAL 123 -0.756 1.024 1.024 972 HB VAL 123 HB VAL 123 1.543 1.885 1.885 973 1HG1 VAL 123 1HG1 VAL 123 1.202 1.945 1.945 974 2HG1 VAL 123 3HG1 VAL 123 1.012 3.651 3.651 975 3HG1 VAL 123 2HG1 VAL 123 2.483 2.793 2.793 976 1HG2 VAL 123 3HG2 VAL 123 -0.368 3.225 3.225 977 2HG2 VAL 123 2HG2 VAL 123 1.029 4.169 4.169 978 3HG2 VAL 123 1HG2 VAL 123 -0.413 4.094 4.094 979 H HIS 124 H HIS 124 -2.721 1.818 1.818 980 HA HIS 124 HA HIS 124 -3.346 2.947 2.947 981 1HB HIS 124 2HB HIS 124 -5.243 1.276 1.276 982 2HB HIS 124 1HB HIS 124 -5.536 1.925 1.925 983 HD1 HIS 124 HD1 HIS 124 -4.867 0.486 0.486 984 HD2 HIS 124 HD2 HIS 124 -3.216 -0.809 -0.809 985 HE1 HIS 124 HE1 HIS 124 -3.764 -1.712 -1.712 986 HE2 HIS 124 HE2 HIS 124 -2.855 -2.522 -2.522 987 H GLY 125 H GLY 125 -2.798 4.962 4.962 988 1HA GLY 125 2HA GLY 125 -4.212 5.925 5.925 989 2HA GLY 125 1HA GLY 125 -3.458 6.929 6.929 990 H PHE 126 HN PHE 126 -6.293 6.332 6.332 991 HA PHE 126 HA PHE 126 -8.258 6.157 6.157 992 1HB PHE 126 2HB PHE 126 -9.752 6.821 6.821 993 2HB PHE 126 1HB PHE 126 -8.378 6.338 6.338 994 HD1 PHE 126 HD2 PHE 126 -6.599 8.441 8.441 995 HD2 PHE 126 HD1 PHE 126 -10.824 8.687 8.687 996 HE1 PHE 126 HE2 PHE 126 -6.573 10.670 10.670 997 HE2 PHE 126 HE1 PHE 126 -10.807 10.916 10.916 998 HZ PHE 126 HZ PHE 126 -8.679 11.911 11.911 Start of MODEL 6 1 1H MET 1 3H MET 1 -30.159 -58.984 -58.984 2 2H MET 1 2H MET 1 -29.681 -58.858 -58.858 3 3H MET 1 1H MET 1 -29.349 -57.577 -57.577 4 HA MET 1 HA MET 1 -27.386 -58.800 -58.800 5 1HB MET 1 2HB MET 1 -29.258 -60.977 -60.977 6 2HB MET 1 1HB MET 1 -27.970 -61.269 -61.269 7 1HG MET 1 2HG MET 1 -27.208 -60.401 -60.401 8 2HG MET 1 1HG MET 1 -27.801 -62.047 -62.047 9 1HE MET 1 2HE MET 1 -24.898 -61.108 -61.108 10 2HE MET 1 1HE MET 1 -25.343 -62.813 -62.813 11 3HE MET 1 3HE MET 1 -23.830 -62.263 -62.263 12 H ARG 2 H ARG 2 -29.487 -59.781 -59.781 13 HA ARG 2 HA ARG 2 -27.351 -59.020 -59.020 14 1HB ARG 2 2HB ARG 2 -29.822 -60.718 -60.718 15 2HB ARG 2 1HB ARG 2 -28.889 -60.172 -60.172 16 1HG ARG 2 2HG ARG 2 -26.891 -61.277 -61.277 17 2HG ARG 2 1HG ARG 2 -27.948 -61.942 -61.942 18 1HD ARG 2 2HD ARG 2 -28.274 -62.381 -62.381 19 2HD ARG 2 1HD ARG 2 -27.523 -63.522 -63.522 20 HE ARG 2 HE ARG 2 -29.963 -63.091 -63.091 21 1HH1 ARG 2 2HH1 ARG 2 -28.895 -64.029 -64.029 22 2HH1 ARG 2 1HH1 ARG 2 -30.317 -64.956 -64.956 23 1HH2 ARG 2 1HH2 ARG 2 -31.836 -64.309 -64.309 24 2HH2 ARG 2 2HH2 ARG 2 -31.988 -65.114 -65.114 25 H GLY 3 H GLY 3 -27.827 -57.729 -57.729 26 1HA GLY 3 2HA GLY 3 -30.100 -55.894 -55.894 27 2HA GLY 3 1HA GLY 3 -28.551 -55.387 -55.387 28 H SER 4 H SER 4 -31.653 -56.011 -56.011 29 HA SER 4 HA SER 4 -30.947 -56.864 -56.864 30 1HB SER 4 2HB SER 4 -32.409 -58.480 -58.480 31 2HB SER 4 1HB SER 4 -33.543 -57.207 -57.207 32 HG SER 4 HG SER 4 -33.623 -58.618 -58.618 33 H HIS 5 H HIS 5 -32.896 -54.641 -54.641 34 HA HIS 5 HA HIS 5 -33.411 -53.060 -53.060 35 1HB HIS 5 2HB HIS 5 -35.117 -53.864 -53.864 36 2HB HIS 5 1HB HIS 5 -34.925 -52.118 -52.118 37 HD1 HIS 5 HD1 HIS 5 -37.026 -51.218 -51.218 38 HD2 HIS 5 HD2 HIS 5 -35.375 -54.221 -54.221 39 HE1 HIS 5 HE1 HIS 5 -38.438 -51.297 -51.297 40 HE2 HIS 5 HE2 HIS 5 -37.471 -53.179 -53.179 41 H HIS 6 H HIS 6 -31.586 -51.819 -51.819 42 HA HIS 6 HA HIS 6 -31.432 -49.514 -49.514 43 1HB HIS 6 2HB HIS 6 -30.036 -51.789 -51.789 44 2HB HIS 6 1HB HIS 6 -28.847 -50.605 -50.605 45 HD1 HIS 6 HD1 HIS 6 -29.475 -51.381 -51.381 46 HD2 HIS 6 HD2 HIS 6 -30.844 -48.009 -48.009 47 HE1 HIS 6 HE1 HIS 6 -29.991 -49.695 -49.695 48 HE2 HIS 6 HE2 HIS 6 -30.883 -47.687 -47.687 49 H HIS 7 H HIS 7 -31.287 -48.358 -48.358 50 HA HIS 7 HA HIS 7 -28.751 -48.581 -48.581 51 1HB HIS 7 2HB HIS 7 -30.119 -48.035 -48.035 52 2HB HIS 7 1HB HIS 7 -30.145 -49.691 -49.691 53 HD1 HIS 7 HD1 HIS 7 -32.248 -46.888 -46.888 54 HD2 HIS 7 HD2 HIS 7 -32.675 -50.346 -50.346 55 HE1 HIS 7 HE1 HIS 7 -34.728 -47.255 -47.255 56 HE2 HIS 7 HE2 HIS 7 -34.962 -49.304 -49.304 57 H HIS 8 H HIS 8 -28.028 -46.735 -46.735 58 HA HIS 8 HA HIS 8 -29.437 -44.243 -44.243 59 1HB HIS 8 2HB HIS 8 -28.058 -45.128 -45.128 60 2HB HIS 8 1HB HIS 8 -27.849 -43.442 -43.442 61 HD1 HIS 8 HD1 HIS 8 -29.217 -43.057 -43.057 62 HD2 HIS 8 HD2 HIS 8 -31.344 -44.677 -44.677 63 HE1 HIS 8 HE1 HIS 8 -31.643 -42.729 -42.729 64 HE2 HIS 8 HE2 HIS 8 -32.912 -43.789 -43.789 65 H HIS 9 H HIS 9 -28.189 -42.438 -42.438 66 HA HIS 9 HA HIS 9 -25.380 -42.462 -42.462 67 1HB HIS 9 2HB HIS 9 -26.551 -44.072 -44.072 68 2HB HIS 9 1HB HIS 9 -26.386 -42.542 -42.542 69 HD1 HIS 9 HD1 HIS 9 -24.720 -45.316 -45.316 70 HD2 HIS 9 HD2 HIS 9 -23.414 -41.759 -41.759 71 HE1 HIS 9 HE1 HIS 9 -22.214 -45.353 -45.353 72 HE2 HIS 9 HE2 HIS 9 -21.441 -43.233 -43.233 73 H HIS 10 H HIS 10 -24.895 -40.381 -40.381 74 HA HIS 10 HA HIS 10 -26.675 -38.433 -38.433 75 1HB HIS 10 2HB HIS 10 -26.521 -38.503 -38.503 76 2HB HIS 10 1HB HIS 10 -24.947 -37.749 -37.749 77 HD1 HIS 10 HD1 HIS 10 -25.222 -35.525 -35.525 78 HD2 HIS 10 HD2 HIS 10 -28.420 -36.640 -36.640 79 HE1 HIS 10 HE1 HIS 10 -26.697 -33.493 -33.493 80 HE2 HIS 10 HE2 HIS 10 -28.579 -34.165 -34.165 81 H THR 11 H THR 11 -25.620 -38.064 -38.064 82 HA THR 11 HA THR 11 -22.916 -36.930 -36.930 83 HB THR 11 HB THR 11 -23.719 -38.532 -38.532 84 HG1 THR 11 HG1 THR 11 -23.978 -39.963 -39.963 85 1HG2 THR 11 3HG2 THR 11 -21.373 -37.169 -37.169 86 2HG2 THR 11 2HG2 THR 11 -21.025 -38.897 -38.897 87 3HG2 THR 11 1HG2 THR 11 -21.661 -38.102 -38.102 88 H ASP 12 H ASP 12 -22.864 -34.917 -34.917 89 HA ASP 12 HA ASP 12 -24.627 -34.173 -34.173 90 1HB ASP 12 2HB ASP 12 -25.212 -33.404 -33.404 91 2HB ASP 12 1HB ASP 12 -24.143 -32.089 -32.089 92 HA PRO 13 HA PRO 13 -20.209 -33.136 -33.136 93 1HB PRO 13 2HB PRO 13 -21.444 -33.296 -33.296 94 2HB PRO 13 1HB PRO 13 -19.927 -33.986 -33.986 95 1HG PRO 13 2HG PRO 13 -22.057 -35.532 -35.532 96 2HG PRO 13 1HG PRO 13 -20.978 -35.812 -35.812 97 1HD PRO 13 2HD PRO 13 -23.680 -34.534 -34.534 98 2HD PRO 13 1HD PRO 13 -22.970 -35.607 -35.607 99 H MET 14 H MET 14 -23.292 -31.749 -31.749 100 HA MET 14 HA MET 14 -22.551 -29.511 -29.511 101 1HB MET 14 2HB MET 14 -24.772 -29.864 -29.864 102 2HB MET 14 1HB MET 14 -24.618 -28.457 -28.457 103 1HG MET 14 2HG MET 14 -24.809 -29.896 -29.896 104 2HG MET 14 1HG MET 14 -24.976 -31.302 -31.302 105 1HE MET 14 2HE MET 14 -26.390 -29.556 -29.556 106 2HE MET 14 1HE MET 14 -27.993 -30.272 -30.272 107 3HE MET 14 3HE MET 14 -27.749 -28.564 -28.564 108 H SER 15 H SER 15 -21.987 -30.224 -30.224 109 HA SER 15 HA SER 15 -21.434 -27.435 -27.435 110 1HB SER 15 2HB SER 15 -22.540 -29.373 -29.373 111 2HB SER 15 1HB SER 15 -20.851 -29.567 -29.567 112 HG SER 15 HG SER 15 -22.137 -28.019 -28.019 113 H ALA 16 H ALA 16 -19.780 -29.168 -29.168 114 HA ALA 16 HA ALA 16 -17.258 -28.145 -28.145 115 1HB ALA 16 1HB ALA 16 -17.275 -29.783 -29.783 116 2HB ALA 16 3HB ALA 16 -17.586 -31.075 -31.075 117 3HB ALA 16 2HB ALA 16 -16.056 -30.200 -30.200 118 H ILE 17 H ILE 17 -18.918 -28.324 -28.324 119 HA ILE 17 HA ILE 17 -18.235 -30.331 -30.331 120 HB ILE 17 HB ILE 17 -18.822 -27.474 -27.474 121 1HG1 ILE 17 2HG1 ILE 17 -21.187 -28.964 -28.964 122 2HG1 ILE 17 1HG1 ILE 17 -20.481 -29.388 -29.388 123 1HG2 ILE 17 3HG2 ILE 17 -18.990 -30.112 -30.112 124 2HG2 ILE 17 2HG2 ILE 17 -19.990 -28.750 -28.750 125 3HG2 ILE 17 1HG2 ILE 17 -18.232 -28.610 -28.610 126 1HD1 ILE 17 2HD1 ILE 17 -20.943 -26.567 -26.567 127 2HD1 ILE 17 1HD1 ILE 17 -22.065 -27.484 -27.484 128 3HD1 ILE 17 3HD1 ILE 17 -20.452 -27.099 -27.099 129 H GLN 18 H GLN 18 -16.856 -30.211 -30.211 130 HA GLN 18 HA GLN 18 -14.689 -28.289 -28.289 131 1HB GLN 18 2HB GLN 18 -12.934 -30.040 -30.040 132 2HB GLN 18 1HB GLN 18 -13.827 -29.917 -29.917 133 1HG GLN 18 2HG GLN 18 -14.776 -31.886 -31.886 134 2HG GLN 18 1HG GLN 18 -13.278 -32.240 -32.240 135 1HE2 GLN 18 2HE2 GLN 18 -16.781 -32.911 -32.911 136 2HE2 GLN 18 1HE2 GLN 18 -16.560 -32.578 -32.578 137 H ASN 19 H ASN 19 -13.191 -28.659 -28.659 138 HA ASN 19 HA ASN 19 -14.544 -30.042 -30.042 139 1HB ASN 19 2HB ASN 19 -14.276 -27.261 -27.261 140 2HB ASN 19 1HB ASN 19 -13.079 -27.732 -27.732 141 1HD2 ASN 19 2HD2 ASN 19 -15.797 -27.205 -27.205 142 2HD2 ASN 19 1HD2 ASN 19 -14.417 -26.469 -26.469 143 H LEU 20 H LEU 20 -11.495 -28.485 -28.485 144 HA LEU 20 HA LEU 20 -9.316 -29.021 -29.021 145 1HB LEU 20 2HB LEU 20 -10.197 -31.096 -31.096 146 2HB LEU 20 1HB LEU 20 -10.263 -31.853 -31.853 147 HG LEU 20 HG LEU 20 -7.750 -31.173 -31.173 148 1HD1 LEU 20 1HD1 LEU 20 -8.400 -30.778 -30.778 149 2HD1 LEU 20 3HD1 LEU 20 -6.836 -31.466 -31.466 150 3HD1 LEU 20 2HD1 LEU 20 -7.301 -29.876 -29.876 151 1HD2 LEU 20 1HD2 LEU 20 -9.027 -33.436 -33.436 152 2HD2 LEU 20 3HD2 LEU 20 -8.097 -33.432 -33.432 153 3HD2 LEU 20 2HD2 LEU 20 -7.270 -33.285 -33.285 154 H HIS 21 H HIS 21 -10.548 -28.004 -28.004 155 HA HIS 21 HA HIS 21 -10.289 -27.744 -27.744 156 1HB HIS 21 2HB HIS 21 -7.896 -28.077 -28.077 157 2HB HIS 21 1HB HIS 21 -8.106 -29.816 -29.816 158 HD1 HIS 21 HD1 HIS 21 -10.000 -27.925 -27.925 159 HD2 HIS 21 HD2 HIS 21 -6.153 -29.456 -29.456 160 HE1 HIS 21 HE1 HIS 21 -9.062 -27.928 -27.928 161 HE2 HIS 21 HE2 HIS 21 -6.766 -28.940 -28.940 162 H SER 22 H SER 22 -11.958 -28.431 -28.431 163 HA SER 22 HA SER 22 -12.557 -31.286 -31.286 164 1HB SER 22 2HB SER 22 -14.101 -28.787 -28.787 165 2HB SER 22 1HB SER 22 -14.618 -30.338 -30.338 166 HG SER 22 HG SER 22 -14.246 -29.724 -29.724 167 H PHE 23 H PHE 23 -13.528 -31.929 -31.929 168 HA PHE 23 HA PHE 23 -13.104 -32.467 -32.467 169 1HB PHE 23 2HB PHE 23 -13.472 -29.873 -29.873 170 2HB PHE 23 1HB PHE 23 -11.743 -29.833 -29.833 171 HD1 PHE 23 HD1 PHE 23 -14.436 -32.163 -32.163 172 HD2 PHE 23 HD2 PHE 23 -11.443 -29.356 -29.356 173 HE1 PHE 23 HE1 PHE 23 -14.885 -32.644 -32.644 174 HE2 PHE 23 HE2 PHE 23 -11.887 -29.832 -29.832 175 HZ PHE 23 HZ PHE 23 -13.609 -31.477 -31.477 176 H ASP 24 H ASP 24 -11.545 -34.003 -34.003 177 HA ASP 24 HA ASP 24 -8.848 -33.416 -33.416 178 1HB ASP 24 2HB ASP 24 -7.914 -34.659 -34.659 179 2HB ASP 24 1HB ASP 24 -8.621 -33.091 -33.091 180 HA PRO 25 HA PRO 25 -10.805 -37.476 -37.476 181 1HB PRO 25 2HB PRO 25 -9.571 -36.440 -36.440 182 2HB PRO 25 1HB PRO 25 -11.147 -37.201 -37.201 183 1HG PRO 25 2HG PRO 25 -10.949 -34.575 -34.575 184 2HG PRO 25 1HG PRO 25 -12.130 -35.235 -35.235 185 1HD PRO 25 2HD PRO 25 -9.515 -33.891 -33.891 186 2HD PRO 25 1HD PRO 25 -11.043 -33.783 -33.783 187 H PHE 26 H PHE 26 -7.703 -35.886 -35.886 188 HA PHE 26 HA PHE 26 -6.410 -38.532 -38.532 189 1HB PHE 26 2HB PHE 26 -5.109 -35.998 -35.998 190 2HB PHE 26 1HB PHE 26 -4.689 -37.664 -37.664 191 HD1 PHE 26 HD2 PHE 26 -7.057 -34.934 -34.934 192 HD2 PHE 26 HD1 PHE 26 -5.799 -38.851 -38.851 193 HE1 PHE 26 HE2 PHE 26 -8.415 -34.798 -34.798 194 HE2 PHE 26 HE1 PHE 26 -7.154 -38.723 -38.723 195 HZ PHE 26 HZ PHE 26 -8.465 -36.695 -36.695 196 H ALA 27 H ALA 27 -5.526 -35.180 -35.180 197 HA ALA 27 HA ALA 27 -4.426 -34.310 -34.310 198 1HB ALA 27 2HB ALA 27 -6.302 -35.798 -35.798 199 2HB ALA 27 1HB ALA 27 -4.908 -36.731 -36.731 200 3HB ALA 27 3HB ALA 27 -5.046 -35.024 -35.024 201 H ASP 28 H ASP 28 -2.779 -35.355 -35.355 202 HA ASP 28 HA ASP 28 -0.959 -37.251 -37.251 203 1HB ASP 28 2HB ASP 28 -1.010 -35.806 -35.806 204 2HB ASP 28 1HB ASP 28 0.377 -36.762 -36.762 205 H ALA 29 H ALA 29 -1.261 -33.818 -33.818 206 HA ALA 29 HA ALA 29 1.364 -32.959 -32.959 207 1HB ALA 29 1HB ALA 29 -1.262 -31.825 -31.825 208 2HB ALA 29 3HB ALA 29 0.191 -31.049 -31.049 209 3HB ALA 29 2HB ALA 29 -0.043 -31.199 -31.199 210 H SER 30 H SER 30 2.839 -33.669 -33.669 211 HA SER 30 HA SER 30 2.045 -34.264 -34.264 212 1HB SER 30 2HB SER 30 4.015 -35.353 -35.353 213 2HB SER 30 1HB SER 30 4.724 -34.967 -34.967 214 HG SER 30 HG SER 30 3.806 -36.700 -36.700 215 H LYS 31 H LYS 31 4.349 -32.346 -32.346 216 HA LYS 31 HA LYS 31 4.516 -30.430 -30.430 217 1HB LYS 31 2HB LYS 31 7.045 -30.448 -30.448 218 2HB LYS 31 1HB LYS 31 6.303 -31.822 -31.822 219 1HG LYS 31 2HG LYS 31 7.050 -33.292 -33.292 220 2HG LYS 31 1HG LYS 31 6.801 -32.180 -32.180 221 1HD LYS 31 2HD LYS 31 9.086 -32.261 -32.261 222 2HD LYS 31 1HD LYS 31 8.823 -30.912 -30.912 223 1HE LYS 31 2HE LYS 31 10.158 -32.070 -32.070 224 2HE LYS 31 1HE LYS 31 8.712 -33.028 -33.028 225 1HZ LYS 31 2HZ LYS 31 9.641 -34.263 -34.263 226 2HZ LYS 31 1HZ LYS 31 11.104 -33.719 -33.719 227 3HZ LYS 31 3HZ LYS 31 10.078 -34.702 -34.702 228 H GLY 32 H GLY 32 3.880 -28.699 -28.699 229 1HA GLY 32 2HA GLY 32 5.570 -27.868 -27.868 230 2HA GLY 32 1HA GLY 32 3.848 -28.032 -28.032 231 H ASP 33 H ASP 33 2.433 -26.816 -26.816 232 HA ASP 33 HA ASP 33 3.507 -24.557 -24.557 233 1HB ASP 33 2HB ASP 33 3.651 -23.999 -23.999 234 2HB ASP 33 1HB ASP 33 1.907 -23.784 -23.784 235 H ASP 34 H ASP 34 1.735 -26.640 -26.640 236 HA ASP 34 HA ASP 34 -0.981 -25.982 -25.982 237 1HB ASP 34 2HB ASP 34 0.570 -27.594 -27.594 238 2HB ASP 34 1HB ASP 34 -1.181 -27.423 -27.423 239 H LEU 35 H LEU 35 1.000 -25.702 -25.702 240 HA LEU 35 HA LEU 35 -0.772 -23.584 -23.584 241 1HB LEU 35 2HB LEU 35 0.409 -25.681 -25.681 242 2HB LEU 35 1HB LEU 35 1.506 -24.372 -24.372 243 HG LEU 35 HG LEU 35 -0.157 -24.625 -24.625 244 1HD1 LEU 35 1HD1 LEU 35 0.623 -22.306 -22.306 245 2HD1 LEU 35 3HD1 LEU 35 -1.103 -22.162 -22.162 246 3HD1 LEU 35 2HD1 LEU 35 -0.540 -22.406 -22.406 247 1HD2 LEU 35 3HD2 LEU 35 -1.967 -24.807 -24.807 248 2HD2 LEU 35 2HD2 LEU 35 -2.134 -25.443 -25.443 249 3HD2 LEU 35 1HD2 LEU 35 -2.554 -23.764 -23.764 250 H LEU 36 H LEU 36 -0.281 -21.503 -21.503 251 HA LEU 36 HA LEU 36 2.060 -20.579 -20.579 252 1HB LEU 36 2HB LEU 36 0.209 -18.963 -18.963 253 2HB LEU 36 1HB LEU 36 1.263 -18.360 -18.360 254 HG LEU 36 HG LEU 36 -1.105 -20.174 -20.174 255 1HD1 LEU 36 3HD1 LEU 36 -1.610 -17.838 -17.838 256 2HD1 LEU 36 2HD1 LEU 36 -0.912 -17.250 -17.250 257 3HD1 LEU 36 1HD1 LEU 36 -2.334 -18.292 -18.292 258 1HD2 LEU 36 3HD2 LEU 36 1.052 -19.883 -19.883 259 2HD2 LEU 36 2HD2 LEU 36 -0.578 -20.195 -20.195 260 3HD2 LEU 36 1HD2 LEU 36 0.051 -18.548 -18.548 261 HA PRO 37 HA PRO 37 4.990 -20.294 -20.294 262 1HB PRO 37 2HB PRO 37 6.412 -18.100 -18.100 263 2HB PRO 37 1HB PRO 37 6.552 -19.665 -19.665 264 1HG PRO 37 2HG PRO 37 4.977 -17.249 -17.249 265 2HG PRO 37 1HG PRO 37 5.967 -18.324 -18.324 266 1HD PRO 37 2HD PRO 37 3.272 -18.510 -18.510 267 2HD PRO 37 1HD PRO 37 4.315 -19.928 -19.928 268 H ALA 38 H ALA 38 3.233 -17.348 -17.348 269 HA ALA 38 HA ALA 38 2.468 -16.792 -16.792 270 1HB ALA 38 1HB ALA 38 5.062 -16.171 -16.171 271 2HB ALA 38 3HB ALA 38 4.353 -14.656 -14.656 272 3HB ALA 38 2HB ALA 38 3.950 -15.281 -15.281 273 H GLY 39 H GLY 39 0.584 -15.800 -15.800 274 1HA GLY 39 2HA GLY 39 0.321 -13.882 -13.882 275 2HA GLY 39 1HA GLY 39 -0.961 -14.994 -14.994 276 H THR 40 H THR 40 0.882 -13.587 -13.587 277 HA THR 40 HA THR 40 -0.605 -11.213 -11.213 278 HB THR 40 HB THR 40 -1.636 -12.235 -12.235 279 HG1 THR 40 HG1 THR 40 -1.811 -14.393 -14.393 280 1HG2 THR 40 1HG2 THR 40 -2.726 -11.298 -11.298 281 2HG2 THR 40 3HG2 THR 40 -3.325 -12.956 -12.956 282 3HG2 THR 40 2HG2 THR 40 -3.647 -11.896 -11.896 283 H GLU 41 H GLU 41 1.220 -13.827 -13.827 284 HA GLU 41 HA GLU 41 2.973 -13.830 -13.830 285 1HB GLU 41 2HB GLU 41 3.244 -11.427 -11.427 286 2HB GLU 41 1HB GLU 41 3.743 -11.107 -11.107 287 1HG GLU 41 2HG GLU 41 5.171 -13.204 -13.204 288 2HG GLU 41 1HG GLU 41 4.862 -13.104 -13.104 289 H ASP 42 H ASP 42 0.131 -12.786 -12.786 290 HA ASP 42 HA ASP 42 -0.945 -11.986 -11.986 291 1HB ASP 42 2HB ASP 42 0.462 -14.113 -14.113 292 2HB ASP 42 1HB ASP 42 1.314 -12.927 -12.927 293 H TYR 43 H TYR 43 -0.038 -9.853 -9.853 294 HA TYR 43 HA TYR 43 1.993 -8.415 -8.415 295 1HB TYR 43 2HB TYR 43 -0.471 -7.325 -7.325 296 2HB TYR 43 1HB TYR 43 1.006 -6.432 -6.432 297 HD1 TYR 43 HD1 TYR 43 2.866 -8.829 -8.829 298 HD2 TYR 43 HD2 TYR 43 -0.408 -6.934 -6.934 299 HE1 TYR 43 HE1 TYR 43 3.784 -9.497 -9.497 300 HE2 TYR 43 HE2 TYR 43 0.501 -7.604 -7.604 301 HH TYR 43 HH TYR 43 3.067 -8.194 -8.194 302 H ILE 44 H ILE 44 1.455 -6.235 -6.235 303 HA ILE 44 HA ILE 44 -0.421 -6.835 -6.835 304 HB ILE 44 HB ILE 44 2.026 -5.062 -5.062 305 1HG1 ILE 44 2HG1 ILE 44 2.764 -7.315 -7.315 306 2HG1 ILE 44 1HG1 ILE 44 2.796 -6.788 -6.788 307 1HG2 ILE 44 1HG2 ILE 44 0.047 -4.383 -4.383 308 2HG2 ILE 44 3HG2 ILE 44 0.355 -5.864 -5.864 309 3HG2 ILE 44 2HG2 ILE 44 1.595 -4.613 -4.613 310 1HD1 ILE 44 1HD1 ILE 44 0.481 -7.846 -7.846 311 2HD1 ILE 44 3HD1 ILE 44 0.876 -8.646 -8.646 312 3HD1 ILE 44 2HD1 ILE 44 1.879 -8.917 -8.917 313 H HIS 45 H HIS 45 -2.266 -5.923 -5.923 314 HA HIS 45 HA HIS 45 -2.408 -3.437 -3.437 315 1HB HIS 45 2HB HIS 45 -4.171 -5.556 -5.556 316 2HB HIS 45 1HB HIS 45 -4.897 -4.062 -4.062 317 HD1 HIS 45 HD1 HIS 45 -3.885 -5.826 -5.826 318 HD2 HIS 45 HD2 HIS 45 -5.757 -2.302 -2.302 319 HE1 HIS 45 HE1 HIS 45 -4.899 -4.886 -4.886 320 HE2 HIS 45 HE2 HIS 45 -6.119 -2.809 -2.809 321 H ILE 46 H ILE 46 -2.125 -1.505 -1.505 322 HA ILE 46 HA ILE 46 -2.246 -1.021 -1.021 323 HB ILE 46 HB ILE 46 -1.795 0.938 0.938 324 1HG1 ILE 46 2HG1 ILE 46 -0.095 -0.871 -0.871 325 2HG1 ILE 46 1HG1 ILE 46 0.565 0.727 0.727 326 1HG2 ILE 46 2HG2 ILE 46 -1.911 1.222 1.222 327 2HG2 ILE 46 1HG2 ILE 46 -0.597 2.065 2.065 328 3HG2 ILE 46 3HG2 ILE 46 -2.271 2.391 2.391 329 1HD1 ILE 46 3HD1 ILE 46 0.040 0.033 0.033 330 2HD1 ILE 46 2HD1 ILE 46 0.185 -1.588 -1.588 331 3HD1 ILE 46 1HD1 ILE 46 1.529 -0.453 -0.453 332 H ARG 47 H ARG 47 -3.515 1.482 1.482 333 HA ARG 47 HA ARG 47 -5.654 2.204 2.204 334 1HB ARG 47 2HB ARG 47 -6.351 -0.241 -0.241 335 2HB ARG 47 1HB ARG 47 -6.791 0.379 0.379 336 1HG ARG 47 2HG ARG 47 -8.718 1.121 1.121 337 2HG ARG 47 1HG ARG 47 -7.878 2.106 2.106 338 1HD ARG 47 2HD ARG 47 -7.803 -0.619 -0.619 339 2HD ARG 47 1HD ARG 47 -9.462 -0.207 -0.207 340 HE ARG 47 HE ARG 47 -8.068 0.631 0.631 341 1HH1 ARG 47 2HH1 ARG 47 -10.295 1.826 1.826 342 2HH1 ARG 47 1HH1 ARG 47 -11.005 2.999 2.999 343 1HH2 ARG 47 1HH2 ARG 47 -9.000 2.174 2.174 344 2HH2 ARG 47 2HH2 ARG 47 -10.271 3.196 3.196 345 H ILE 48 H ILE 48 -6.455 4.027 4.027 346 HA ILE 48 HA ILE 48 -6.037 4.679 4.679 347 HB ILE 48 HB ILE 48 -5.558 6.208 6.208 348 1HG1 ILE 48 2HG1 ILE 48 -4.506 6.420 6.420 349 2HG1 ILE 48 1HG1 ILE 48 -3.752 5.539 5.539 350 1HG2 ILE 48 3HG2 ILE 48 -6.849 7.532 7.532 351 2HG2 ILE 48 2HG2 ILE 48 -5.984 8.398 8.398 352 3HG2 ILE 48 1HG2 ILE 48 -7.445 7.490 7.490 353 1HD1 ILE 48 2HD1 ILE 48 -3.474 7.668 7.668 354 2HD1 ILE 48 1HD1 ILE 48 -4.142 8.516 8.516 355 3HD1 ILE 48 3HD1 ILE 48 -2.622 7.632 7.632 356 H GLN 49 H GLN 49 -7.654 6.050 6.050 357 HA GLN 49 HA GLN 49 -10.219 6.229 6.229 358 1HB GLN 49 2HB GLN 49 -11.442 5.238 5.238 359 2HB GLN 49 1HB GLN 49 -10.306 4.089 4.089 360 1HG GLN 49 2HG GLN 49 -8.796 5.187 5.187 361 2HG GLN 49 1HG GLN 49 -10.403 5.281 5.281 362 1HE2 GLN 49 2HE2 GLN 49 -10.153 2.022 2.022 363 2HE2 GLN 49 1HE2 GLN 49 -10.556 3.673 3.673 364 H GLN 50 H GLN 50 -10.161 8.427 8.427 365 HA GLN 50 HA GLN 50 -9.834 9.841 9.841 366 1HB GLN 50 2HB GLN 50 -8.983 10.390 10.390 367 2HB GLN 50 1HB GLN 50 -10.230 11.577 11.577 368 1HG GLN 50 2HG GLN 50 -8.941 12.681 12.681 369 2HG GLN 50 1HG GLN 50 -8.253 11.198 11.198 370 1HE2 GLN 50 2HE2 GLN 50 -5.759 13.294 13.294 371 2HE2 GLN 50 1HE2 GLN 50 -6.974 13.717 13.717 372 H ARG 51 H ARG 51 -11.773 9.649 9.649 373 HA ARG 51 HA ARG 51 -14.307 9.683 9.683 374 1HB ARG 51 2HB ARG 51 -13.640 10.817 10.817 375 2HB ARG 51 1HB ARG 51 -15.164 10.110 10.110 376 1HG ARG 51 2HG ARG 51 -13.135 8.174 8.174 377 2HG ARG 51 1HG ARG 51 -12.938 8.842 8.842 378 1HD ARG 51 2HD ARG 51 -15.418 7.597 7.597 379 2HD ARG 51 1HD ARG 51 -14.413 6.952 6.952 380 HE ARG 51 HE ARG 51 -15.213 9.342 9.342 381 1HH1 ARG 51 2HH1 ARG 51 -16.935 6.640 6.640 382 2HH1 ARG 51 1HH1 ARG 51 -18.369 6.918 6.918 383 1HH2 ARG 51 1HH2 ARG 51 -17.098 9.709 9.709 384 2HH2 ARG 51 2HH2 ARG 51 -18.462 8.661 8.661 385 H ASN 52 H ASN 52 -12.192 12.314 12.314 386 HA ASN 52 HA ASN 52 -14.057 14.190 14.190 387 1HB ASN 52 2HB ASN 52 -12.364 15.052 15.052 388 2HB ASN 52 1HB ASN 52 -13.816 15.806 15.806 389 1HD2 ASN 52 2HD2 ASN 52 -14.177 13.583 13.583 390 2HD2 ASN 52 1HD2 ASN 52 -12.778 14.444 14.444 391 H GLY 53 H GLY 53 -12.149 16.407 16.407 392 1HA GLY 53 2HA GLY 53 -10.336 15.837 15.837 393 2HA GLY 53 1HA GLY 53 -10.652 17.415 17.415 394 H ARG 54 H ARG 54 -9.872 14.608 14.608 395 HA ARG 54 HA ARG 54 -7.101 14.902 14.902 396 1HB ARG 54 2HB ARG 54 -6.825 16.054 16.054 397 2HB ARG 54 1HB ARG 54 -7.573 17.102 17.102 398 1HG ARG 54 2HG ARG 54 -9.789 16.540 16.540 399 2HG ARG 54 1HG ARG 54 -8.921 15.694 15.694 400 1HD ARG 54 2HD ARG 54 -9.046 17.701 17.701 401 2HD ARG 54 1HD ARG 54 -7.626 18.048 18.048 402 HE ARG 54 HE ARG 54 -10.082 18.677 18.677 403 1HH1 ARG 54 2HH1 ARG 54 -7.721 19.851 19.851 404 2HH1 ARG 54 1HH1 ARG 54 -8.084 21.519 21.519 405 1HH2 ARG 54 1HH2 ARG 54 -10.561 20.870 20.870 406 2HH2 ARG 54 2HH2 ARG 54 -9.696 22.097 22.097 407 H LYS 55 H LYS 55 -10.072 14.013 14.013 408 HA LYS 55 HA LYS 55 -8.925 12.279 12.279 409 1HB LYS 55 2HB LYS 55 -11.267 13.195 13.195 410 2HB LYS 55 1HB LYS 55 -11.678 12.058 12.058 411 1HG LYS 55 2HG LYS 55 -12.368 11.191 11.191 412 2HG LYS 55 1HG LYS 55 -11.069 10.197 10.197 413 1HD LYS 55 2HD LYS 55 -10.736 10.604 10.604 414 2HD LYS 55 1HD LYS 55 -9.454 11.353 11.353 415 1HE LYS 55 2HE LYS 55 -10.418 12.746 12.746 416 2HE LYS 55 1HE LYS 55 -10.352 13.510 13.510 417 1HZ LYS 55 1HZ LYS 55 -12.782 12.143 12.143 418 2HZ LYS 55 3HZ LYS 55 -12.482 13.782 13.782 419 3HZ LYS 55 2HZ LYS 55 -12.649 13.224 13.224 420 H THR 56 H THR 56 -7.324 11.366 11.366 421 HA THR 56 HA THR 56 -8.349 9.308 9.308 422 HB THR 56 HB THR 56 -5.442 9.527 9.527 423 HG1 THR 56 HG1 THR 56 -5.700 11.661 11.661 424 1HG2 THR 56 3HG2 THR 56 -7.294 9.420 9.420 425 2HG2 THR 56 2HG2 THR 56 -5.596 9.857 9.857 426 3HG2 THR 56 1HG2 THR 56 -6.033 8.283 8.283 427 H LEU 57 H LEU 57 -7.348 7.145 7.145 428 HA LEU 57 HA LEU 57 -6.253 6.213 6.213 429 1HB LEU 57 2HB LEU 57 -9.093 5.871 5.871 430 2HB LEU 57 1HB LEU 57 -8.278 4.402 4.402 431 HG LEU 57 HG LEU 57 -8.233 6.927 6.927 432 1HD1 LEU 57 2HD1 LEU 57 -10.252 4.724 4.724 433 2HD1 LEU 57 1HD1 LEU 57 -9.932 5.573 5.573 434 3HD1 LEU 57 3HD1 LEU 57 -10.502 6.466 6.466 435 1HD2 LEU 57 2HD2 LEU 57 -7.388 4.090 4.090 436 2HD2 LEU 57 1HD2 LEU 57 -6.525 5.582 5.582 437 3HD2 LEU 57 3HD2 LEU 57 -7.878 5.067 5.067 438 H THR 58 H THR 58 -4.600 5.800 5.800 439 HA THR 58 HA THR 58 -4.927 4.083 4.083 440 HB THR 58 HB THR 58 -2.390 4.042 4.042 441 HG1 THR 58 HG1 THR 58 -3.575 6.277 6.277 442 1HG2 THR 58 2HG2 THR 58 -2.973 4.276 4.276 443 2HG2 THR 58 1HG2 THR 58 -1.365 4.313 4.313 444 3HG2 THR 58 3HG2 THR 58 -2.355 2.859 2.859 445 H THR 59 H THR 59 -4.959 1.905 1.905 446 HA THR 59 HA THR 59 -4.691 0.267 0.267 447 HB THR 59 HB THR 59 -6.286 -1.236 -1.236 448 HG1 THR 59 HG1 THR 59 -7.432 0.025 0.025 449 1HG2 THR 59 2HG2 THR 59 -6.622 0.210 0.210 450 2HG2 THR 59 1HG2 THR 59 -8.108 0.196 0.196 451 3HG2 THR 59 3HG2 THR 59 -7.323 -1.324 -1.324 452 H VAL 60 H VAL 60 -3.700 -1.745 -1.745 453 HA VAL 60 HA VAL 60 -2.215 -2.140 -2.140 454 HB VAL 60 HB VAL 60 -1.239 -3.492 -3.492 455 1HG1 VAL 60 2HG1 VAL 60 -0.233 -2.533 -2.533 456 2HG1 VAL 60 1HG1 VAL 60 0.877 -2.293 -2.293 457 3HG1 VAL 60 3HG1 VAL 60 0.279 -3.910 -3.910 458 1HG2 VAL 60 2HG2 VAL 60 -0.952 -0.517 -0.517 459 2HG2 VAL 60 1HG2 VAL 60 -1.725 -1.329 -1.329 460 3HG2 VAL 60 3HG2 VAL 60 0.017 -1.471 -1.471 461 H GLN 61 H GLN 61 -2.828 -3.816 -3.816 462 HA GLN 61 HA GLN 61 -4.065 -6.110 -6.110 463 1HB GLN 61 2HB GLN 61 -5.336 -4.554 -4.554 464 2HB GLN 61 1HB GLN 61 -4.552 -5.643 -5.643 465 1HG GLN 61 2HG GLN 61 -5.597 -7.374 -7.374 466 2HG GLN 61 1HG GLN 61 -6.809 -6.095 -6.095 467 1HE2 GLN 61 2HE2 GLN 61 -7.082 -6.616 -6.616 468 2HE2 GLN 61 1HE2 GLN 61 -6.499 -5.337 -5.337 469 H GLY 62 H GLY 62 -3.612 -8.205 -8.205 470 1HA GLY 62 2HA GLY 62 -2.443 -9.704 -9.704 471 2HA GLY 62 1HA GLY 62 -1.338 -8.394 -8.394 472 H ILE 63 H ILE 63 -0.925 -7.554 -7.554 473 HA ILE 63 HA ILE 63 1.331 -8.987 -8.987 474 HB ILE 63 HB ILE 63 -0.473 -7.284 -7.284 475 1HG1 ILE 63 2HG1 ILE 63 0.520 -5.769 -5.769 476 2HG1 ILE 63 1HG1 ILE 63 1.811 -5.896 -5.896 477 1HG2 ILE 63 2HG2 ILE 63 1.743 -8.965 -8.965 478 2HG2 ILE 63 1HG2 ILE 63 1.969 -7.271 -7.271 479 3HG2 ILE 63 3HG2 ILE 63 0.527 -8.134 -8.134 480 1HD1 ILE 63 3HD1 ILE 63 2.797 -7.682 -7.682 481 2HD1 ILE 63 2HD1 ILE 63 1.656 -7.101 -7.101 482 3HD1 ILE 63 1HD1 ILE 63 2.870 -6.007 -6.007 483 H ALA 64 H ALA 64 1.826 -10.566 -10.566 484 HA ALA 64 HA ALA 64 -0.310 -12.472 -12.472 485 1HB ALA 64 1HB ALA 64 1.960 -13.090 -13.090 486 2HB ALA 64 3HB ALA 64 2.593 -12.801 -12.801 487 3HB ALA 64 2HB ALA 64 1.384 -14.058 -14.058 488 H ASP 65 H ASP 65 -1.048 -13.144 -13.144 489 HA ASP 65 HA ASP 65 -0.902 -11.347 -11.347 490 1HB ASP 65 2HB ASP 65 -2.771 -13.022 -13.022 491 2HB ASP 65 1HB ASP 65 -1.787 -14.216 -14.216 492 H ASP 66 H ASP 66 1.095 -13.947 -13.947 493 HA ASP 66 HA ASP 66 2.139 -14.685 -14.685 494 1HB ASP 66 2HB ASP 66 2.273 -15.843 -15.843 495 2HB ASP 66 1HB ASP 66 3.806 -14.975 -14.975 496 H TYR 67 H TYR 67 2.651 -12.018 -12.018 497 HA TYR 67 HA TYR 67 5.273 -11.282 -11.282 498 1HB TYR 67 2HB TYR 67 2.753 -9.679 -9.679 499 2HB TYR 67 1HB TYR 67 4.302 -8.885 -8.885 500 HD1 TYR 67 HD1 TYR 67 4.480 -11.990 -11.990 501 HD2 TYR 67 HD2 TYR 67 3.766 -7.816 -7.816 502 HE1 TYR 67 HE1 TYR 67 4.919 -12.127 -12.127 503 HE2 TYR 67 HE2 TYR 67 4.200 -7.931 -7.931 504 HH TYR 67 HH TYR 67 5.684 -9.713 -9.713 505 H ASP 68 H ASP 68 5.666 -9.050 -9.050 506 HA ASP 68 HA ASP 68 5.244 -9.756 -9.756 507 1HB ASP 68 2HB ASP 68 6.976 -7.577 -7.577 508 2HB ASP 68 1HB ASP 68 6.981 -8.113 -8.113 509 H LYS 69 H LYS 69 2.957 -9.190 -9.190 510 HA LYS 69 HA LYS 69 1.734 -6.896 -6.896 511 1HB LYS 69 2HB LYS 69 1.080 -9.055 -9.055 512 2HB LYS 69 1HB LYS 69 0.906 -7.691 -7.691 513 1HG LYS 69 2HG LYS 69 -0.622 -6.616 -6.616 514 2HG LYS 69 1HG LYS 69 -0.430 -7.963 -7.963 515 1HD LYS 69 2HD LYS 69 -1.154 -8.878 -8.878 516 2HD LYS 69 1HD LYS 69 -2.332 -7.726 -7.726 517 1HE LYS 69 2HE LYS 69 -2.067 -9.211 -9.211 518 2HE LYS 69 1HE LYS 69 -1.580 -10.427 -10.427 519 1HZ LYS 69 1HZ LYS 69 -4.008 -8.923 -8.923 520 2HZ LYS 69 3HZ LYS 69 -4.094 -10.036 -10.036 521 3HZ LYS 69 2HZ LYS 69 -3.652 -10.552 -10.552 522 H LYS 70 H LYS 70 3.454 -7.361 -7.361 523 HA LYS 70 HA LYS 70 2.966 -4.769 -4.769 524 1HB LYS 70 2HB LYS 70 5.239 -6.665 -6.665 525 2HB LYS 70 1HB LYS 70 4.805 -5.249 -5.249 526 1HG LYS 70 2HG LYS 70 2.813 -6.216 -6.216 527 2HG LYS 70 1HG LYS 70 2.840 -7.455 -7.455 528 1HD LYS 70 2HD LYS 70 3.585 -8.709 -8.709 529 2HD LYS 70 1HD LYS 70 5.134 -8.067 -8.067 530 1HE LYS 70 2HE LYS 70 3.506 -6.629 -6.629 531 2HE LYS 70 1HE LYS 70 4.580 -7.953 -7.953 532 1HZ LYS 70 1HZ LYS 70 6.251 -6.535 -6.535 533 2HZ LYS 70 3HZ LYS 70 5.232 -5.273 -5.273 534 3HZ LYS 70 2HZ LYS 70 6.010 -6.224 -6.224 535 H LYS 71 H LYS 71 5.739 -6.140 -6.140 536 HA LYS 71 HA LYS 71 7.117 -3.616 -3.616 537 1HB LYS 71 2HB LYS 71 7.962 -6.175 -6.175 538 2HB LYS 71 1HB LYS 71 7.946 -5.760 -5.760 539 1HG LYS 71 2HG LYS 71 9.177 -3.595 -3.595 540 2HG LYS 71 1HG LYS 71 9.814 -5.007 -5.007 541 1HD LYS 71 2HD LYS 71 9.668 -5.156 -5.156 542 2HD LYS 71 1HD LYS 71 10.879 -4.073 -4.073 543 1HE LYS 71 2HE LYS 71 11.690 -6.397 -6.397 544 2HE LYS 71 1HE LYS 71 11.888 -5.856 -5.856 545 1HZ LYS 71 1HZ LYS 71 9.598 -7.501 -7.501 546 2HZ LYS 71 3HZ LYS 71 11.012 -8.156 -8.156 547 3HZ LYS 71 2HZ LYS 71 10.032 -7.143 -7.143 548 H LEU 72 H LEU 72 4.399 -4.293 -4.293 549 HA LEU 72 HA LEU 72 5.228 -3.265 -3.265 550 1HB LEU 72 2HB LEU 72 2.961 -4.952 -4.952 551 2HB LEU 72 1HB LEU 72 2.675 -3.887 -3.887 552 HG LEU 72 HG LEU 72 3.922 -5.139 -5.139 553 1HD1 LEU 72 3HD1 LEU 72 5.718 -5.619 -5.619 554 2HD1 LEU 72 2HD1 LEU 72 5.886 -6.558 -6.558 555 3HD1 LEU 72 1HD1 LEU 72 6.071 -4.802 -4.802 556 1HD2 LEU 72 3HD2 LEU 72 2.416 -6.666 -6.666 557 2HD2 LEU 72 2HD2 LEU 72 3.105 -7.203 -7.203 558 3HD2 LEU 72 1HD2 LEU 72 3.970 -7.498 -7.498 559 H VAL 73 H VAL 73 2.289 -2.966 -2.966 560 HA VAL 73 HA VAL 73 1.836 -0.309 -0.309 561 HB VAL 73 HB VAL 73 0.043 -2.001 -2.001 562 1HG1 VAL 73 1HG1 VAL 73 1.087 -2.453 -2.453 563 2HG1 VAL 73 3HG1 VAL 73 0.522 -0.861 -0.861 564 3HG1 VAL 73 2HG1 VAL 73 -0.641 -2.101 -2.101 565 1HG2 VAL 73 3HG2 VAL 73 -0.296 0.424 0.424 566 2HG2 VAL 73 2HG2 VAL 73 -1.514 -0.281 -0.281 567 3HG2 VAL 73 1HG2 VAL 73 -0.252 0.754 0.754 568 H LYS 74 H LYS 74 3.028 -1.727 -1.727 569 HA LYS 74 HA LYS 74 3.135 0.704 0.704 570 1HB LYS 74 2HB LYS 74 3.499 -1.891 -1.891 571 2HB LYS 74 1HB LYS 74 5.174 -1.363 -1.363 572 1HG LYS 74 2HG LYS 74 4.884 0.208 0.208 573 2HG LYS 74 1HG LYS 74 3.124 0.137 0.137 574 1HD LYS 74 2HD LYS 74 4.015 -2.488 -2.488 575 2HD LYS 74 1HD LYS 74 4.890 -1.418 -1.418 576 1HE LYS 74 2HE LYS 74 3.051 -1.619 -1.619 577 2HE LYS 74 1HE LYS 74 2.387 -0.403 -0.403 578 1HZ LYS 74 3HZ LYS 74 2.132 -3.284 -3.284 579 2HZ LYS 74 2HZ LYS 74 1.030 -2.505 -2.505 580 3HZ LYS 74 1HZ LYS 74 1.204 -1.997 -1.997 581 H ALA 75 H ALA 75 5.477 -1.058 -1.058 582 HA ALA 75 HA ALA 75 7.648 0.704 0.704 583 1HB ALA 75 3HB ALA 75 6.969 -1.222 -1.222 584 2HB ALA 75 2HB ALA 75 8.472 -0.299 -0.299 585 3HB ALA 75 1HB ALA 75 8.104 -1.455 -1.455 586 H PHE 76 H PHE 76 5.055 0.533 0.533 587 HA PHE 76 HA PHE 76 5.825 2.528 2.528 588 1HB PHE 76 2HB PHE 76 3.732 1.002 1.002 589 2HB PHE 76 1HB PHE 76 2.966 2.288 2.288 590 HD1 PHE 76 HD1 PHE 76 4.488 1.414 1.414 591 HD2 PHE 76 HD2 PHE 76 2.323 4.341 4.341 592 HE1 PHE 76 HE1 PHE 76 3.996 2.614 2.614 593 HE2 PHE 76 HE2 PHE 76 1.825 5.548 5.548 594 HZ PHE 76 HZ PHE 76 2.663 4.682 4.682 595 H LYS 77 H LYS 77 4.267 2.834 2.834 596 HA LYS 77 HA LYS 77 3.902 5.667 5.667 597 1HB LYS 77 2HB LYS 77 3.864 3.835 3.835 598 2HB LYS 77 1HB LYS 77 3.336 5.512 5.512 599 1HG LYS 77 2HG LYS 77 1.347 5.001 5.001 600 2HG LYS 77 1HG LYS 77 2.043 3.895 3.895 601 1HD LYS 77 2HD LYS 77 1.115 2.257 2.257 602 2HD LYS 77 1HD LYS 77 2.391 2.558 2.558 603 1HE LYS 77 2HE LYS 77 0.803 3.046 3.046 604 2HE LYS 77 1HE LYS 77 0.444 4.486 4.486 605 1HZ LYS 77 3HZ LYS 77 -0.904 2.636 2.636 606 2HZ LYS 77 2HZ LYS 77 -1.015 1.988 1.988 607 3HZ LYS 77 1HZ LYS 77 -1.581 3.552 3.552 608 H LYS 78 H LYS 78 6.644 3.811 3.811 609 HA LYS 78 HA LYS 78 7.986 5.841 5.841 610 1HB LYS 78 2HB LYS 78 8.076 3.338 3.338 611 2HB LYS 78 1HB LYS 78 9.153 3.190 3.190 612 1HG LYS 78 2HG LYS 78 10.887 4.049 4.049 613 2HG LYS 78 1HG LYS 78 9.909 5.327 5.327 614 1HD LYS 78 2HD LYS 78 10.691 3.972 3.972 615 2HD LYS 78 1HD LYS 78 8.986 3.577 3.577 616 1HE LYS 78 2HE LYS 78 9.779 1.662 1.662 617 2HE LYS 78 1HE LYS 78 11.394 1.984 1.984 618 1HZ LYS 78 3HZ LYS 78 10.073 1.836 1.836 619 2HZ LYS 78 2HZ LYS 78 9.074 0.834 0.834 620 3HZ LYS 78 1HZ LYS 78 10.716 0.465 0.465 621 H LYS 79 H LYS 79 7.729 4.620 4.620 622 HA LYS 79 HA LYS 79 10.286 5.718 5.718 623 1HB LYS 79 2HB LYS 79 8.921 3.559 3.559 624 2HB LYS 79 1HB LYS 79 8.344 4.753 4.753 625 1HG LYS 79 2HG LYS 79 11.108 5.120 5.120 626 2HG LYS 79 1HG LYS 79 10.864 3.373 3.373 627 1HD LYS 79 2HD LYS 79 9.748 3.421 3.421 628 2HD LYS 79 1HD LYS 79 9.414 5.150 5.150 629 1HE LYS 79 2HE LYS 79 12.198 4.036 4.036 630 2HE LYS 79 1HE LYS 79 11.216 4.464 4.464 631 1HZ LYS 79 3HZ LYS 79 11.710 6.407 6.407 632 2HZ LYS 79 2HZ LYS 79 12.823 6.202 6.202 633 3HZ LYS 79 1HZ LYS 79 11.244 6.703 6.703 634 H PHE 80 H PHE 80 6.828 6.267 6.267 635 HA PHE 80 HA PHE 80 7.546 8.899 8.899 636 1HB PHE 80 2HB PHE 80 4.876 7.670 7.670 637 2HB PHE 80 1HB PHE 80 5.822 8.766 8.766 638 HD1 PHE 80 HD1 PHE 80 5.439 5.270 5.270 639 HD2 PHE 80 HD2 PHE 80 7.369 7.949 7.949 640 HE1 PHE 80 HE1 PHE 80 6.221 3.361 3.361 641 HE2 PHE 80 HE2 PHE 80 8.156 6.041 6.041 642 HZ PHE 80 HZ PHE 80 7.581 3.744 3.744 643 H ALA 81 H ALA 81 5.993 7.322 7.322 644 HA ALA 81 HA ALA 81 4.899 8.126 8.126 645 1HB ALA 81 1HB ALA 81 6.511 10.157 10.157 646 2HB ALA 81 3HB ALA 81 4.965 10.946 10.946 647 3HB ALA 81 2HB ALA 81 5.296 10.260 10.260 648 H CYS 82 H CYS 82 3.437 7.180 7.180 649 HA CYS 82 HA CYS 82 1.138 9.009 9.009 650 1HB CYS 82 2HB CYS 82 1.926 6.683 6.683 651 2HB CYS 82 1HB CYS 82 0.427 7.592 7.592 652 HG CYS 82 HG CYS 82 2.326 9.678 9.678 653 H ASN 83 H ASN 83 -0.981 8.165 8.165 654 HA ASN 83 HA ASN 83 -1.137 6.214 6.214 655 1HB ASN 83 2HB ASN 83 -2.814 8.284 8.284 656 2HB ASN 83 1HB ASN 83 -3.733 6.788 6.788 657 1HD2 ASN 83 2HD2 ASN 83 -2.027 7.987 7.987 658 2HD2 ASN 83 1HD2 ASN 83 -1.097 7.902 7.902 659 H GLY 84 H GLY 84 -0.997 4.110 4.110 660 1HA GLY 84 2HA GLY 84 -2.277 3.109 3.109 661 2HA GLY 84 1HA GLY 84 -0.874 2.368 2.368 662 H THR 85 H THR 85 -3.719 1.479 1.479 663 HA THR 85 HA THR 85 -4.225 0.204 0.204 664 HB THR 85 HB THR 85 -6.657 0.359 0.359 665 HG1 THR 85 HG1 THR 85 -5.881 2.032 2.032 666 1HG2 THR 85 3HG2 THR 85 -5.365 2.170 2.170 667 2HG2 THR 85 2HG2 THR 85 -5.587 3.144 3.144 668 3HG2 THR 85 1HG2 THR 85 -6.991 2.546 2.546 669 H VAL 86 H VAL 86 -5.595 -1.782 -1.782 670 HA VAL 86 HA VAL 86 -5.123 -3.128 -3.128 671 HB VAL 86 HB VAL 86 -3.530 -3.873 -3.873 672 1HG1 VAL 86 3HG1 VAL 86 -5.451 -3.650 -3.650 673 2HG1 VAL 86 2HG1 VAL 86 -5.730 -5.341 -5.341 674 3HG1 VAL 86 1HG1 VAL 86 -4.157 -4.832 -4.832 675 1HG2 VAL 86 3HG2 VAL 86 -5.418 -5.648 -5.648 676 2HG2 VAL 86 2HG2 VAL 86 -3.664 -5.520 -5.520 677 3HG2 VAL 86 1HG2 VAL 86 -4.389 -6.398 -6.398 678 H ILE 87 H ILE 87 -6.871 -4.086 -4.086 679 HA ILE 87 HA ILE 87 -9.074 -4.927 -4.927 680 HB ILE 87 HB ILE 87 -10.776 -3.819 -3.819 681 1HG1 ILE 87 2HG1 ILE 87 -9.273 -3.747 -3.747 682 2HG1 ILE 87 1HG1 ILE 87 -10.375 -2.405 -2.405 683 1HG2 ILE 87 1HG2 ILE 87 -8.660 -1.991 -1.991 684 2HG2 ILE 87 3HG2 ILE 87 -10.265 -1.444 -1.444 685 3HG2 ILE 87 2HG2 ILE 87 -10.090 -2.617 -2.617 686 1HD1 ILE 87 1HD1 ILE 87 -8.519 -1.095 -1.095 687 2HD1 ILE 87 3HD1 ILE 87 -7.425 -2.436 -2.436 688 3HD1 ILE 87 2HD1 ILE 87 -8.227 -1.601 -1.601 689 H GLU 88 H GLU 88 -10.689 -6.228 -6.228 690 HA GLU 88 HA GLU 88 -9.426 -7.728 -7.728 691 1HB GLU 88 2HB GLU 88 -10.241 -8.761 -8.761 692 2HB GLU 88 1HB GLU 88 -11.785 -8.802 -8.802 693 1HG GLU 88 2HG GLU 88 -10.733 -10.082 -10.082 694 2HG GLU 88 1HG GLU 88 -9.224 -10.093 -10.093 695 H HIS 89 H HIS 89 -10.171 -5.988 -5.988 696 HA HIS 89 HA HIS 89 -12.796 -5.248 -5.248 697 1HB HIS 89 2HB HIS 89 -10.473 -4.524 -4.524 698 2HB HIS 89 1HB HIS 89 -11.053 -5.573 -5.573 699 HD1 HIS 89 HD1 HIS 89 -12.590 -4.526 -4.526 700 HD2 HIS 89 HD2 HIS 89 -12.411 -2.388 -2.388 701 HE1 HIS 89 HE1 HIS 89 -13.971 -2.462 -2.462 702 HE2 HIS 89 HE2 HIS 89 -13.778 -1.140 -1.140 703 HA PRO 90 HA PRO 90 -14.595 -8.921 -8.921 704 1HB PRO 90 2HB PRO 90 -16.970 -7.923 -7.923 705 2HB PRO 90 1HB PRO 90 -16.527 -8.091 -8.091 706 1HG PRO 90 2HG PRO 90 -16.495 -5.653 -5.653 707 2HG PRO 90 1HG PRO 90 -17.035 -5.825 -5.825 708 1HD PRO 90 2HD PRO 90 -14.576 -4.839 -4.839 709 2HD PRO 90 1HD PRO 90 -14.916 -5.594 -5.594 710 H GLU 91 H GLU 91 -13.964 -6.036 -6.036 711 HA GLU 91 HA GLU 91 -14.812 -7.111 -7.111 712 1HB GLU 91 2HB GLU 91 -14.260 -4.545 -4.545 713 2HB GLU 91 1HB GLU 91 -13.115 -4.816 -4.816 714 1HG GLU 91 2HG GLU 91 -16.037 -5.336 -5.336 715 2HG GLU 91 1HG GLU 91 -15.365 -3.714 -3.714 716 H TYR 92 H TYR 92 -11.962 -7.034 -7.034 717 HA TYR 92 HA TYR 92 -10.445 -8.239 -8.239 718 1HB TYR 92 2HB TYR 92 -9.070 -6.667 -6.667 719 2HB TYR 92 1HB TYR 92 -8.534 -7.016 -7.016 720 HD1 TYR 92 HD1 TYR 92 -10.580 -6.114 -6.114 721 HD2 TYR 92 HD2 TYR 92 -9.318 -4.392 -4.392 722 HE1 TYR 92 HE1 TYR 92 -11.427 -3.932 -3.932 723 HE2 TYR 92 HE2 TYR 92 -10.160 -2.200 -2.200 724 HH TYR 92 HH TYR 92 -12.263 -1.760 -1.760 725 H GLY 93 H GLY 93 -10.445 -7.840 -7.840 726 1HA GLY 93 2HA GLY 93 -10.635 -9.743 -9.743 727 2HA GLY 93 1HA GLY 93 -9.869 -10.719 -10.719 728 H GLU 94 H GLU 94 -9.405 -8.753 -8.753 729 HA GLU 94 HA GLU 94 -7.601 -8.334 -8.334 730 1HB GLU 94 2HB GLU 94 -7.254 -10.823 -10.823 731 2HB GLU 94 1HB GLU 94 -6.040 -10.305 -10.305 732 1HG GLU 94 2HG GLU 94 -4.628 -10.483 -10.483 733 2HG GLU 94 1HG GLU 94 -5.282 -8.920 -8.920 734 H VAL 95 H VAL 95 -7.367 -6.209 -6.209 735 HA VAL 95 HA VAL 95 -4.922 -5.797 -5.797 736 HB VAL 95 HB VAL 95 -6.001 -3.915 -3.915 737 1HG1 VAL 95 3HG1 VAL 95 -6.468 -6.775 -6.775 738 2HG1 VAL 95 2HG1 VAL 95 -7.568 -5.721 -5.721 739 3HG1 VAL 95 1HG1 VAL 95 -5.827 -5.553 -5.553 740 1HG2 VAL 95 1HG2 VAL 95 -8.064 -4.241 -4.241 741 2HG2 VAL 95 3HG2 VAL 95 -8.149 -3.333 -3.333 742 3HG2 VAL 95 2HG2 VAL 95 -8.695 -5.010 -5.010 743 H ILE 96 H ILE 96 -3.723 -4.050 -4.050 744 HA ILE 96 HA ILE 96 -4.415 -2.895 -2.895 745 HB ILE 96 HB ILE 96 -2.037 -2.794 -2.794 746 1HG1 ILE 96 2HG1 ILE 96 -2.736 -4.251 -4.251 747 2HG1 ILE 96 1HG1 ILE 96 -1.087 -4.026 -4.026 748 1HG2 ILE 96 1HG2 ILE 96 -2.529 -0.778 -0.778 749 2HG2 ILE 96 3HG2 ILE 96 -0.969 -1.073 -1.073 750 3HG2 ILE 96 2HG2 ILE 96 -2.315 -0.446 -0.446 751 1HD1 ILE 96 2HD1 ILE 96 -2.365 -2.180 -2.180 752 2HD1 ILE 96 1HD1 ILE 96 -1.510 -3.650 -3.650 753 3HD1 ILE 96 3HD1 ILE 96 -0.654 -2.367 -2.367 754 H GLN 97 H GLN 97 -4.480 -0.573 -0.573 755 HA GLN 97 HA GLN 97 -5.380 1.004 1.004 756 1HB GLN 97 2HB GLN 97 -6.998 0.092 0.092 757 2HB GLN 97 1HB GLN 97 -6.790 1.821 1.821 758 1HG GLN 97 2HG GLN 97 -7.466 2.061 2.061 759 2HG GLN 97 1HG GLN 97 -7.978 0.376 0.376 760 1HE2 GLN 97 2HE2 GLN 97 -11.057 1.203 1.203 761 2HE2 GLN 97 1HE2 GLN 97 -10.052 0.147 0.147 762 H LEU 98 H LEU 98 -3.753 2.433 2.433 763 HA LEU 98 HA LEU 98 -2.625 3.685 3.685 764 1HB LEU 98 2HB LEU 98 -1.891 4.054 4.054 765 2HB LEU 98 1HB LEU 98 -1.010 4.689 4.689 766 HG LEU 98 HG LEU 98 -1.413 1.732 1.732 767 1HD1 LEU 98 1HD1 LEU 98 0.628 3.474 3.474 768 2HD1 LEU 98 3HD1 LEU 98 0.889 1.755 1.755 769 3HD1 LEU 98 2HD1 LEU 98 -0.449 2.280 2.280 770 1HD2 LEU 98 2HD2 LEU 98 0.118 3.537 3.537 771 2HD2 LEU 98 1HD2 LEU 98 -0.415 1.879 1.879 772 3HD2 LEU 98 3HD2 LEU 98 1.054 2.190 2.190 773 H GLN 99 H GLN 99 -2.476 6.018 6.018 774 HA GLN 99 HA GLN 99 -4.928 7.268 7.268 775 1HB GLN 99 2HB GLN 99 -3.108 7.680 7.680 776 2HB GLN 99 1HB GLN 99 -3.758 9.155 9.155 777 1HG GLN 99 2HG GLN 99 -5.554 6.874 6.874 778 2HG GLN 99 1HG GLN 99 -5.024 8.033 8.033 779 1HE2 GLN 99 2HE2 GLN 99 -6.953 10.704 10.704 780 2HE2 GLN 99 1HE2 GLN 99 -5.533 10.279 10.279 781 H GLY 100 H GLY 100 -5.016 8.920 8.920 782 1HA GLY 100 2HA GLY 100 -4.287 10.642 10.642 783 2HA GLY 100 1HA GLY 100 -2.687 10.490 10.490 784 H ASP 101 H ASP 101 -2.927 10.934 10.934 785 HA ASP 101 HA ASP 101 -3.008 8.589 8.589 786 1HB ASP 101 2HB ASP 101 -1.845 10.005 10.005 787 2HB ASP 101 1HB ASP 101 -3.322 10.712 10.712 788 H GLN 102 H GLN 102 -1.720 6.980 6.980 789 HA GLN 102 HA GLN 102 1.163 7.521 7.521 790 1HB GLN 102 2HB GLN 102 -0.676 5.882 5.882 791 2HB GLN 102 1HB GLN 102 0.760 5.001 5.001 792 1HG GLN 102 2HG GLN 102 0.890 6.127 6.127 793 2HG GLN 102 1HG GLN 102 2.193 6.509 6.509 794 1HE2 GLN 102 2HE2 GLN 102 -0.637 9.435 9.435 795 2HE2 GLN 102 1HE2 GLN 102 -1.072 7.798 7.798 796 H ARG 103 H ARG 103 -0.922 6.502 6.502 797 HA ARG 103 HA ARG 103 -0.209 4.020 4.020 798 1HB ARG 103 2HB ARG 103 -1.116 4.592 4.592 799 2HB ARG 103 1HB ARG 103 -1.868 5.761 5.761 800 1HG ARG 103 2HG ARG 103 0.591 6.366 6.366 801 2HG ARG 103 1HG ARG 103 -1.051 6.653 6.653 802 1HD ARG 103 2HD ARG 103 -0.697 7.747 7.747 803 2HD ARG 103 1HD ARG 103 0.542 8.359 8.359 804 HE ARG 103 HE ARG 103 -2.139 8.457 8.457 805 1HH1 ARG 103 2HH1 ARG 103 0.301 10.150 10.150 806 2HH1 ARG 103 1HH1 ARG 103 -0.366 11.715 11.715 807 1HH2 ARG 103 1HH2 ARG 103 -3.016 10.513 10.513 808 2HH2 ARG 103 2HH2 ARG 103 -2.249 11.922 11.922 809 H LYS 104 H LYS 104 1.681 6.940 6.940 810 HA LYS 104 HA LYS 104 3.708 5.702 5.702 811 1HB LYS 104 2HB LYS 104 2.871 8.375 8.375 812 2HB LYS 104 1HB LYS 104 4.558 8.234 8.234 813 1HG LYS 104 2HG LYS 104 3.502 7.352 7.352 814 2HG LYS 104 1HG LYS 104 4.160 8.959 8.959 815 1HD LYS 104 2HD LYS 104 5.661 6.386 6.386 816 2HD LYS 104 1HD LYS 104 5.799 7.363 7.363 817 1HE LYS 104 2HE LYS 104 6.193 9.207 9.207 818 2HE LYS 104 1HE LYS 104 6.968 7.764 7.764 819 1HZ LYS 104 2HZ LYS 104 8.073 7.624 7.624 820 2HZ LYS 104 1HZ LYS 104 7.608 9.239 9.239 821 3HZ LYS 104 3HZ LYS 104 8.637 8.796 8.796 822 H ASN 105 H ASN 105 3.077 6.425 6.425 823 HA ASN 105 HA ASN 105 5.840 6.076 6.076 824 1HB ASN 105 2HB ASN 105 3.300 6.851 6.851 825 2HB ASN 105 1HB ASN 105 4.479 6.024 6.024 826 1HD2 ASN 105 2HD2 ASN 105 4.880 9.885 9.885 827 2HD2 ASN 105 1HD2 ASN 105 3.445 8.961 8.961 828 H ILE 106 H ILE 106 2.808 4.238 4.238 829 HA ILE 106 HA ILE 106 3.774 2.128 2.128 830 HB ILE 106 HB ILE 106 1.375 2.507 2.507 831 1HG1 ILE 106 2HG1 ILE 106 0.767 0.143 0.143 832 2HG1 ILE 106 1HG1 ILE 106 2.354 -0.250 -0.250 833 1HG2 ILE 106 2HG2 ILE 106 1.669 2.945 2.945 834 2HG2 ILE 106 1HG2 ILE 106 1.878 1.208 1.208 835 3HG2 ILE 106 3HG2 ILE 106 0.354 1.840 1.840 836 1HD1 ILE 106 3HD1 ILE 106 2.491 1.187 1.187 837 2HD1 ILE 106 2HD1 ILE 106 1.628 -0.347 -0.347 838 3HD1 ILE 106 1HD1 ILE 106 3.279 -0.308 -0.308 839 H CYS 107 H CYS 107 3.550 2.395 2.395 840 HA CYS 107 HA CYS 107 4.726 -0.080 -0.080 841 1HB CYS 107 2HB CYS 107 5.388 1.026 1.026 842 2HB CYS 107 1HB CYS 107 3.681 1.179 1.179 843 HG CYS 107 HG CYS 107 5.509 3.454 3.454 844 H GLN 108 H GLN 108 6.031 3.020 3.020 845 HA GLN 108 HA GLN 108 8.775 2.414 2.414 846 1HB GLN 108 2HB GLN 108 8.343 4.695 4.695 847 2HB GLN 108 1HB GLN 108 7.234 4.590 4.590 848 1HG GLN 108 2HG GLN 108 8.933 5.605 5.605 849 2HG GLN 108 1HG GLN 108 9.492 3.948 3.948 850 1HE2 GLN 108 2HE2 GLN 108 12.228 4.244 4.244 851 2HE2 GLN 108 1HE2 GLN 108 11.135 3.159 3.159 852 H PHE 109 H PHE 109 6.550 2.076 2.076 853 HA PHE 109 HA PHE 109 8.526 1.442 1.442 854 1HB PHE 109 2HB PHE 109 6.270 2.333 2.333 855 2HB PHE 109 1HB PHE 109 5.566 0.818 0.818 856 HD1 PHE 109 HD2 PHE 109 8.100 2.111 2.111 857 HD2 PHE 109 HD1 PHE 109 5.192 -0.869 -0.869 858 HE1 PHE 109 HE2 PHE 109 8.407 1.155 1.155 859 HE2 PHE 109 HE1 PHE 109 5.493 -1.830 -1.830 860 HZ PHE 109 HZ PHE 109 7.102 -0.818 -0.818 861 H LEU 110 H LEU 110 6.338 -0.415 -0.415 862 HA LEU 110 HA LEU 110 6.868 -2.966 -2.966 863 1HB LEU 110 2HB LEU 110 5.888 -1.874 -1.874 864 2HB LEU 110 1HB LEU 110 6.374 -3.557 -3.557 865 HG LEU 110 HG LEU 110 4.639 -4.157 -4.157 866 1HD1 LEU 110 3HD1 LEU 110 5.043 -2.417 -2.417 867 2HD1 LEU 110 2HD1 LEU 110 4.216 -1.247 -1.247 868 3HD1 LEU 110 1HD1 LEU 110 3.327 -2.613 -2.613 869 1HD2 LEU 110 1HD2 LEU 110 3.808 -2.085 -2.085 870 2HD2 LEU 110 3HD2 LEU 110 3.528 -3.825 -3.825 871 3HD2 LEU 110 2HD2 LEU 110 2.602 -2.789 -2.789 872 H VAL 111 H VAL 111 8.696 -0.914 -0.914 873 HA VAL 111 HA VAL 111 10.549 -3.069 -3.069 874 HB VAL 111 HB VAL 111 10.584 -0.179 -0.179 875 1HG1 VAL 111 1HG1 VAL 111 12.308 -2.533 -2.533 876 2HG1 VAL 111 3HG1 VAL 111 11.977 -1.399 -1.399 877 3HG1 VAL 111 2HG1 VAL 111 12.739 -0.832 -0.832 878 1HG2 VAL 111 2HG2 VAL 111 8.650 -1.854 -1.854 879 2HG2 VAL 111 1HG2 VAL 111 9.343 -0.719 -0.719 880 3HG2 VAL 111 3HG2 VAL 111 9.865 -2.404 -2.404 881 H GLU 112 H GLU 112 10.317 -0.210 -0.210 882 HA GLU 112 HA GLU 112 13.086 0.066 0.066 883 1HB GLU 112 2HB GLU 112 10.570 1.075 1.075 884 2HB GLU 112 1HB GLU 112 12.126 1.316 1.316 885 1HG GLU 112 2HG GLU 112 12.123 2.076 2.076 886 2HG GLU 112 1HG GLU 112 10.967 2.983 2.983 887 H ILE 113 H ILE 113 10.452 -1.722 -1.722 888 HA ILE 113 HA ILE 113 12.256 -2.724 -2.724 889 HB ILE 113 HB ILE 113 10.353 -3.465 -3.465 890 1HG1 ILE 113 2HG1 ILE 113 8.796 -2.997 -2.997 891 2HG1 ILE 113 1HG1 ILE 113 9.102 -4.539 -4.539 892 1HG2 ILE 113 3HG2 ILE 113 10.779 -0.940 -0.940 893 2HG2 ILE 113 2HG2 ILE 113 9.312 -0.939 -0.939 894 3HG2 ILE 113 1HG2 ILE 113 9.248 -1.466 -1.466 895 1HD1 ILE 113 2HD1 ILE 113 7.809 -2.824 -2.824 896 2HD1 ILE 113 1HD1 ILE 113 6.913 -2.799 -2.799 897 3HD1 ILE 113 3HD1 ILE 113 7.232 -4.330 -4.330 898 H GLY 114 H GLY 114 10.685 -3.676 -3.676 899 1HA GLY 114 2HA GLY 114 11.289 -5.581 -5.581 900 2HA GLY 114 1HA GLY 114 11.927 -6.316 -6.316 901 H LEU 115 H LEU 115 8.796 -4.791 -4.791 902 HA LEU 115 HA LEU 115 7.485 -7.121 -7.121 903 1HB LEU 115 2HB LEU 115 6.953 -4.524 -4.524 904 2HB LEU 115 1HB LEU 115 5.947 -4.861 -4.861 905 HG LEU 115 HG LEU 115 4.631 -6.438 -6.438 906 1HD1 LEU 115 2HD1 LEU 115 6.709 -6.079 -6.079 907 2HD1 LEU 115 1HD1 LEU 115 5.105 -6.723 -6.723 908 3HD1 LEU 115 3HD1 LEU 115 6.176 -7.568 -7.568 909 1HD2 LEU 115 1HD2 LEU 115 4.391 -3.869 -3.869 910 2HD2 LEU 115 3HD2 LEU 115 3.479 -4.968 -4.968 911 3HD2 LEU 115 2HD2 LEU 115 4.948 -4.201 -4.201 912 H ALA 116 H ALA 116 6.679 -5.225 -5.225 913 HA ALA 116 HA ALA 116 5.663 -7.660 -7.660 914 1HB ALA 116 2HB ALA 116 4.281 -5.596 -5.596 915 2HB ALA 116 1HB ALA 116 5.483 -4.823 -4.823 916 3HB ALA 116 3HB ALA 116 4.584 -6.221 -6.221 917 H LYS 117 H LYS 117 5.977 -7.107 -7.107 918 HA LYS 117 HA LYS 117 8.906 -7.124 -7.124 919 1HB LYS 117 2HB LYS 117 6.781 -8.877 -8.877 920 2HB LYS 117 1HB LYS 117 8.002 -8.389 -8.389 921 1HG LYS 117 2HG LYS 117 8.797 -9.499 -9.499 922 2HG LYS 117 1HG LYS 117 8.341 -10.566 -10.566 923 1HD LYS 117 2HD LYS 117 10.503 -10.436 -10.436 924 2HD LYS 117 1HD LYS 117 10.076 -8.848 -8.848 925 1HE LYS 117 2HE LYS 117 11.541 -7.943 -7.943 926 2HE LYS 117 1HE LYS 117 10.534 -8.483 -8.483 927 1HZ LYS 117 2HZ LYS 117 12.419 -10.376 -10.376 928 2HZ LYS 117 1HZ LYS 117 13.012 -9.204 -9.204 929 3HZ LYS 117 3HZ LYS 117 11.841 -10.311 -10.311 930 H ASP 118 H ASP 118 9.800 -5.953 -5.953 931 HA ASP 118 HA ASP 118 8.576 -3.594 -3.594 932 1HB ASP 118 2HB ASP 118 10.360 -3.328 -3.328 933 2HB ASP 118 1HB ASP 118 11.008 -3.986 -3.986 934 H ASP 119 H ASP 119 8.409 -6.748 -6.748 935 HA ASP 119 HA ASP 119 7.199 -5.819 -5.819 936 1HB ASP 119 2HB ASP 119 7.997 -8.425 -8.425 937 2HB ASP 119 1HB ASP 119 6.620 -8.469 -8.469 938 H GLN 120 H GLN 120 6.159 -6.797 -6.797 939 HA GLN 120 HA GLN 120 3.407 -7.205 -7.205 940 1HB GLN 120 2HB GLN 120 4.734 -7.071 -7.071 941 2HB GLN 120 1HB GLN 120 3.035 -7.432 -7.432 942 1HG GLN 120 2HG GLN 120 3.690 -9.419 -9.419 943 2HG GLN 120 1HG GLN 120 5.378 -9.071 -9.071 944 1HE2 GLN 120 2HE2 GLN 120 2.963 -10.031 -10.031 945 2HE2 GLN 120 1HE2 GLN 120 2.400 -8.985 -8.985 946 H LEU 121 H LEU 121 5.325 -4.524 -4.524 947 HA LEU 121 HA LEU 121 3.791 -2.813 -2.813 948 1HB LEU 121 2HB LEU 121 5.554 -2.263 -2.263 949 2HB LEU 121 1HB LEU 121 4.812 -0.982 -0.982 950 HG LEU 121 HG LEU 121 6.591 -3.058 -3.058 951 1HD1 LEU 121 1HD1 LEU 121 7.782 -1.865 -1.865 952 2HD1 LEU 121 3HD1 LEU 121 7.451 -0.348 -0.348 953 3HD1 LEU 121 2HD1 LEU 121 8.455 -1.580 -1.580 954 1HD2 LEU 121 1HD2 LEU 121 4.981 -0.962 -0.962 955 2HD2 LEU 121 3HD2 LEU 121 6.106 -1.996 -1.996 956 3HD2 LEU 121 2HD2 LEU 121 6.664 -0.470 -0.470 957 H LYS 122 H LYS 122 1.591 -3.108 -3.108 958 HA LYS 122 HA LYS 122 0.587 -2.198 -2.198 959 1HB LYS 122 2HB LYS 122 -0.339 -4.219 -4.219 960 2HB LYS 122 1HB LYS 122 -1.598 -3.257 -3.257 961 1HG LYS 122 2HG LYS 122 0.517 -4.736 -4.736 962 2HG LYS 122 1HG LYS 122 -1.063 -5.415 -5.415 963 1HD LYS 122 2HD LYS 122 -2.127 -4.168 -4.168 964 2HD LYS 122 1HD LYS 122 -1.127 -2.748 -2.748 965 1HE LYS 122 2HE LYS 122 0.447 -3.346 -3.346 966 2HE LYS 122 1HE LYS 122 0.160 -5.072 -5.072 967 1HZ LYS 122 3HZ LYS 122 -2.001 -3.507 -3.507 968 2HZ LYS 122 2HZ LYS 122 -0.632 -3.763 -3.763 969 3HZ LYS 122 1HZ LYS 122 -1.491 -5.084 -5.084 970 H VAL 123 H VAL 123 0.895 0.024 0.024 971 HA VAL 123 HA VAL 123 -0.737 1.016 1.016 972 HB VAL 123 HB VAL 123 1.561 1.885 1.885 973 1HG1 VAL 123 2HG1 VAL 123 1.258 1.852 1.852 974 2HG1 VAL 123 1HG1 VAL 123 0.612 3.477 3.477 975 3HG1 VAL 123 3HG1 VAL 123 2.258 3.099 3.099 976 1HG2 VAL 123 3HG2 VAL 123 -0.658 3.225 3.225 977 2HG2 VAL 123 2HG2 VAL 123 0.978 3.878 3.878 978 3HG2 VAL 123 1HG2 VAL 123 -0.059 4.287 4.287 979 H HIS 124 H HIS 124 -2.783 1.568 1.568 980 HA HIS 124 HA HIS 124 -3.539 2.659 2.659 981 1HB HIS 124 2HB HIS 124 -5.321 1.036 1.036 982 2HB HIS 124 1HB HIS 124 -5.698 1.598 1.598 983 HD1 HIS 124 HD1 HIS 124 -5.084 0.083 0.083 984 HD2 HIS 124 HD2 HIS 124 -3.255 -1.009 -1.009 985 HE1 HIS 124 HE1 HIS 124 -3.957 -2.113 -2.113 986 HE2 HIS 124 HE2 HIS 124 -2.995 -2.826 -2.826 987 H GLY 125 H GLY 125 -3.066 4.764 4.764 988 1HA GLY 125 2HA GLY 125 -4.425 5.774 5.774 989 2HA GLY 125 1HA GLY 125 -3.653 6.738 6.738 990 H PHE 126 HN PHE 126 -6.504 6.220 6.220 991 HA PHE 126 HA PHE 126 -8.484 5.960 5.960 992 1HB PHE 126 2HB PHE 126 -9.949 6.989 6.989 993 2HB PHE 126 1HB PHE 126 -8.675 6.319 6.319 994 HD1 PHE 126 HD1 PHE 126 -6.558 8.360 8.360 995 HD2 PHE 126 HD2 PHE 126 -10.754 8.780 8.780 996 HE1 PHE 126 HE1 PHE 126 -6.194 10.578 10.578 997 HE2 PHE 126 HE2 PHE 126 -10.396 11.000 11.000 998 HZ PHE 126 HZ PHE 126 -8.114 11.903 11.903 Start of MODEL 7 1 1H MET 1 1H MET 1 43.393 20.360 20.360 2 2H MET 1 3H MET 1 41.830 19.795 19.795 3 3H MET 1 2H MET 1 43.123 19.648 19.648 4 HA MET 1 HA MET 1 44.241 18.134 18.134 5 1HB MET 1 2HB MET 1 41.556 17.735 17.735 6 2HB MET 1 1HB MET 1 41.996 16.535 16.535 7 1HG MET 1 2HG MET 1 42.626 15.656 15.656 8 2HG MET 1 1HG MET 1 44.112 16.158 16.158 9 1HE MET 1 3HE MET 1 42.317 16.047 16.047 10 2HE MET 1 2HE MET 1 43.999 15.526 15.526 11 3HE MET 1 1HE MET 1 43.552 16.865 16.865 12 H ARG 2 H ARG 2 44.783 18.626 18.626 13 HA ARG 2 HA ARG 2 44.691 18.602 18.602 14 1HB ARG 2 2HB ARG 2 42.948 16.467 16.467 15 2HB ARG 2 1HB ARG 2 42.375 17.152 17.152 16 1HG ARG 2 2HG ARG 2 44.660 16.826 16.826 17 2HG ARG 2 1HG ARG 2 45.090 15.982 15.982 18 1HD ARG 2 2HD ARG 2 43.528 14.253 14.253 19 2HD ARG 2 1HD ARG 2 42.757 15.169 15.169 20 HE ARG 2 HE ARG 2 44.379 14.440 14.440 21 1HH1 ARG 2 2HH1 ARG 2 45.405 13.804 13.804 22 2HH1 ARG 2 1HH1 ARG 2 46.775 12.860 12.860 23 1HH2 ARG 2 1HH2 ARG 2 46.181 13.197 13.197 24 2HH2 ARG 2 2HH2 ARG 2 47.216 12.516 12.516 25 H GLY 3 H GLY 3 44.228 20.489 20.489 26 1HA GLY 3 2HA GLY 3 41.805 21.915 21.915 27 2HA GLY 3 1HA GLY 3 43.057 22.370 22.370 28 H SER 4 H SER 4 39.962 20.989 20.989 29 HA SER 4 HA SER 4 39.418 21.104 21.104 30 1HB SER 4 2HB SER 4 40.513 18.988 18.988 31 2HB SER 4 1HB SER 4 39.698 18.392 18.392 32 HG SER 4 HG SER 4 37.899 18.066 18.066 33 H HIS 5 H HIS 5 38.132 18.936 18.936 34 HA HIS 5 HA HIS 5 35.729 20.609 20.609 35 1HB HIS 5 2HB HIS 5 34.295 18.601 18.601 36 2HB HIS 5 1HB HIS 5 35.198 18.865 18.865 37 HD1 HIS 5 HD1 HIS 5 34.671 16.254 16.254 38 HD2 HIS 5 HD2 HIS 5 37.331 17.172 17.172 39 HE1 HIS 5 HE1 HIS 5 35.872 14.105 14.105 40 HE2 HIS 5 HE2 HIS 5 37.414 14.666 14.666 41 H HIS 6 H HIS 6 34.207 19.368 19.368 42 HA HIS 6 HA HIS 6 35.912 19.114 19.114 43 1HB HIS 6 2HB HIS 6 32.932 19.602 19.602 44 2HB HIS 6 1HB HIS 6 34.017 19.792 19.792 45 HD1 HIS 6 HD1 HIS 6 33.215 21.395 21.395 46 HD2 HIS 6 HD2 HIS 6 35.176 22.267 22.267 47 HE1 HIS 6 HE1 HIS 6 33.782 23.842 23.842 48 HE2 HIS 6 HE2 HIS 6 34.905 24.363 24.363 49 H HIS 7 H HIS 7 35.431 17.503 17.503 50 HA HIS 7 HA HIS 7 33.534 15.443 15.443 51 1HB HIS 7 2HB HIS 7 35.035 13.603 13.603 52 2HB HIS 7 1HB HIS 7 35.096 14.842 14.842 53 HD1 HIS 7 HD1 HIS 7 37.119 13.531 13.531 54 HD2 HIS 7 HD2 HIS 7 37.589 15.879 15.879 55 HE1 HIS 7 HE1 HIS 7 39.593 13.937 13.937 56 HE2 HIS 7 HE2 HIS 7 39.860 15.287 15.287 57 H HIS 8 H HIS 8 36.656 16.303 16.303 58 HA HIS 8 HA HIS 8 36.697 14.508 14.508 59 1HB HIS 8 2HB HIS 8 38.580 15.998 15.998 60 2HB HIS 8 1HB HIS 8 37.705 17.361 17.361 61 HD1 HIS 8 HD1 HIS 8 39.296 14.094 14.094 62 HD2 HIS 8 HD2 HIS 8 38.070 17.719 17.719 63 HE1 HIS 8 HE1 HIS 8 40.118 14.081 14.081 64 HE2 HIS 8 HE2 HIS 8 39.282 16.243 16.243 65 H HIS 9 H HIS 9 34.866 14.172 14.172 66 HA HIS 9 HA HIS 9 34.153 15.973 15.973 67 1HB HIS 9 2HB HIS 9 33.100 17.082 17.082 68 2HB HIS 9 1HB HIS 9 32.004 15.705 15.705 69 HD1 HIS 9 HD1 HIS 9 33.099 17.461 17.461 70 HD2 HIS 9 HD2 HIS 9 29.712 16.975 16.975 71 HE1 HIS 9 HE1 HIS 9 31.215 18.487 18.487 72 HE2 HIS 9 HE2 HIS 9 29.161 18.103 18.103 73 H HIS 10 H HIS 10 34.629 13.862 13.862 74 HA HIS 10 HA HIS 10 33.984 11.967 11.967 75 1HB HIS 10 2HB HIS 10 31.562 13.512 13.512 76 2HB HIS 10 1HB HIS 10 31.206 11.789 11.789 77 HD1 HIS 10 HD1 HIS 10 32.995 14.258 14.258 78 HD2 HIS 10 HD2 HIS 10 31.026 10.603 10.603 79 HE1 HIS 10 HE1 HIS 10 32.857 13.680 13.680 80 HE2 HIS 10 HE2 HIS 10 31.746 11.420 11.420 81 H THR 11 H THR 11 34.631 10.156 10.156 82 HA THR 11 HA THR 11 33.988 9.436 9.436 83 HB THR 11 HB THR 11 34.859 7.102 7.102 84 HG1 THR 11 HG1 THR 11 35.356 7.333 7.333 85 1HG2 THR 11 3HG2 THR 11 36.412 9.548 9.548 86 2HG2 THR 11 2HG2 THR 11 37.235 8.084 8.084 87 3HG2 THR 11 1HG2 THR 11 36.211 8.044 8.044 88 H ASP 12 H ASP 12 33.018 7.937 7.937 89 HA ASP 12 HA ASP 12 31.200 6.703 6.703 90 1HB ASP 12 2HB ASP 12 30.146 8.540 8.540 91 2HB ASP 12 1HB ASP 12 29.125 7.189 7.189 92 HA PRO 13 HA PRO 13 32.201 3.381 3.381 93 1HB PRO 13 2HB PRO 13 31.773 1.376 1.376 94 2HB PRO 13 1HB PRO 13 33.314 2.213 2.213 95 1HG PRO 13 2HG PRO 13 31.167 2.663 2.663 96 2HG PRO 13 1HG PRO 13 32.929 2.653 2.653 97 1HD PRO 13 2HD PRO 13 31.527 4.944 4.944 98 2HD PRO 13 1HD PRO 13 33.164 4.806 4.806 99 H MET 14 H MET 14 29.409 4.017 4.017 100 HA MET 14 HA MET 14 27.715 1.940 1.940 101 1HB MET 14 2HB MET 14 26.913 4.814 4.814 102 2HB MET 14 1HB MET 14 25.881 3.397 3.397 103 1HG MET 14 2HG MET 14 27.756 2.688 2.688 104 2HG MET 14 1HG MET 14 27.950 4.437 4.437 105 1HE MET 14 3HE MET 14 27.260 5.040 5.040 106 2HE MET 14 2HE MET 14 26.228 6.049 6.049 107 3HE MET 14 1HE MET 14 25.559 5.259 5.259 108 H SER 15 H SER 15 28.777 4.742 4.742 109 HA SER 15 HA SER 15 26.772 4.900 4.900 110 1HB SER 15 2HB SER 15 28.834 6.449 6.449 111 2HB SER 15 1HB SER 15 29.642 5.421 5.421 112 HG SER 15 HG SER 15 28.617 6.454 6.454 113 H ALA 16 H ALA 16 29.592 2.819 2.819 114 HA ALA 16 HA ALA 16 28.628 1.339 1.339 115 1HB ALA 16 1HB ALA 16 30.727 2.612 2.612 116 2HB ALA 16 3HB ALA 16 31.522 1.632 1.632 117 3HB ALA 16 2HB ALA 16 30.878 0.869 0.869 118 H ILE 17 H ILE 17 27.469 -0.095 -0.095 119 HA ILE 17 HA ILE 17 29.109 -1.809 -1.809 120 HB ILE 17 HB ILE 17 26.102 -1.568 -1.568 121 1HG1 ILE 17 2HG1 ILE 17 28.009 -0.363 -0.363 122 2HG1 ILE 17 1HG1 ILE 17 27.371 0.544 0.544 123 1HG2 ILE 17 3HG2 ILE 17 28.100 -3.038 -3.038 124 2HG2 ILE 17 2HG2 ILE 17 26.565 -2.531 -2.531 125 3HG2 ILE 17 1HG2 ILE 17 26.581 -3.607 -3.607 126 1HD1 ILE 17 3HD1 ILE 17 25.442 -0.838 -0.838 127 2HD1 ILE 17 2HD1 ILE 17 26.235 0.619 0.619 128 3HD1 ILE 17 1HD1 ILE 17 25.282 0.676 0.676 129 H GLN 18 H GLN 18 29.059 -4.025 -4.025 130 HA GLN 18 HA GLN 18 27.330 -5.270 -5.270 131 1HB GLN 18 2HB GLN 18 29.233 -6.239 -6.239 132 2HB GLN 18 1HB GLN 18 29.056 -4.502 -4.502 133 1HG GLN 18 2HG GLN 18 30.796 -4.514 -4.514 134 2HG GLN 18 1HG GLN 18 31.214 -6.057 -6.057 135 1HE2 GLN 18 2HE2 GLN 18 32.491 -2.631 -2.631 136 2HE2 GLN 18 1HE2 GLN 18 31.709 -2.759 -2.759 137 H ASN 19 H ASN 19 28.253 -7.693 -7.693 138 HA ASN 19 HA ASN 19 28.488 -9.718 -9.718 139 1HB ASN 19 2HB ASN 19 30.159 -8.229 -8.229 140 2HB ASN 19 1HB ASN 19 30.207 -9.955 -9.955 141 1HD2 ASN 19 2HD2 ASN 19 32.756 -7.670 -7.670 142 2HD2 ASN 19 1HD2 ASN 19 32.014 -7.408 -7.408 143 H LEU 20 H LEU 20 26.233 -8.092 -8.092 144 HA LEU 20 HA LEU 20 25.448 -9.473 -9.473 145 1HB LEU 20 2HB LEU 20 26.438 -7.380 -7.380 146 2HB LEU 20 1HB LEU 20 25.343 -6.459 -6.459 147 HG LEU 20 HG LEU 20 24.758 -6.646 -6.646 148 1HD1 LEU 20 2HD1 LEU 20 23.221 -6.226 -6.226 149 2HD1 LEU 20 1HD1 LEU 20 22.466 -7.704 -7.704 150 3HD1 LEU 20 3HD1 LEU 20 22.579 -6.290 -6.290 151 1HD2 LEU 20 3HD2 LEU 20 24.052 -9.443 -9.443 152 2HD2 LEU 20 2HD2 LEU 20 25.224 -8.979 -8.979 153 3HD2 LEU 20 1HD2 LEU 20 23.504 -8.691 -8.691 154 H HIS 21 H HIS 21 24.360 -6.789 -6.789 155 HA HIS 21 HA HIS 21 21.947 -8.350 -8.350 156 1HB HIS 21 2HB HIS 21 21.427 -6.663 -6.663 157 2HB HIS 21 1HB HIS 21 21.952 -5.394 -5.394 158 HD1 HIS 21 HD1 HIS 21 20.150 -7.967 -7.967 159 HD2 HIS 21 HD2 HIS 21 19.144 -4.591 -4.591 160 HE1 HIS 21 HE1 HIS 21 17.782 -7.423 -7.423 161 HE2 HIS 21 HE2 HIS 21 17.226 -5.325 -5.325 162 H SER 22 H SER 22 23.514 -8.692 -8.692 163 HA SER 22 HA SER 22 22.672 -6.967 -6.967 164 1HB SER 22 2HB SER 22 24.577 -5.683 -5.683 165 2HB SER 22 1HB SER 22 25.556 -7.120 -7.120 166 HG SER 22 HG SER 22 25.237 -5.758 -5.758 167 H PHE 23 H PHE 23 22.208 -8.218 -8.218 168 HA PHE 23 HA PHE 23 23.396 -10.901 -10.901 169 1HB PHE 23 2HB PHE 23 21.492 -11.499 -11.499 170 2HB PHE 23 1HB PHE 23 20.943 -10.810 -10.810 171 HD1 PHE 23 HD2 PHE 23 20.037 -8.515 -8.515 172 HD2 PHE 23 HD1 PHE 23 21.027 -10.446 -10.446 173 HE1 PHE 23 HE2 PHE 23 18.688 -6.866 -6.866 174 HE2 PHE 23 HE1 PHE 23 19.681 -8.800 -8.800 175 HZ PHE 23 HZ PHE 23 18.508 -7.008 -7.008 176 H ASP 24 H ASP 24 24.884 -11.324 -11.324 177 HA ASP 24 HA ASP 24 25.979 -9.514 -9.514 178 1HB ASP 24 2HB ASP 24 26.796 -11.614 -11.614 179 2HB ASP 24 1HB ASP 24 27.264 -11.425 -11.425 180 HA PRO 25 HA PRO 25 22.479 -9.330 -9.330 181 1HB PRO 25 2HB PRO 25 24.094 -7.153 -7.153 182 2HB PRO 25 1HB PRO 25 22.434 -7.123 -7.123 183 1HG PRO 25 2HG PRO 25 24.427 -5.937 -5.937 184 2HG PRO 25 1HG PRO 25 23.094 -6.749 -6.749 185 1HD PRO 25 2HD PRO 25 25.879 -7.727 -7.727 186 2HD PRO 25 1HD PRO 25 24.900 -7.857 -7.857 187 H PHE 26 H PHE 26 25.843 -9.839 -9.839 188 HA PHE 26 HA PHE 26 25.364 -10.495 -10.495 189 1HB PHE 26 2HB PHE 26 28.129 -10.750 -10.750 190 2HB PHE 26 1HB PHE 26 27.365 -9.586 -9.586 191 HD1 PHE 26 HD2 PHE 26 26.241 -7.541 -7.541 192 HD2 PHE 26 HD1 PHE 26 29.283 -9.982 -9.982 193 HE1 PHE 26 HE2 PHE 26 26.824 -5.724 -5.724 194 HE2 PHE 26 HE1 PHE 26 29.872 -8.172 -8.172 195 HZ PHE 26 HZ PHE 26 28.642 -6.038 -6.038 196 H ALA 27 H ALA 27 24.606 -12.159 -12.159 197 HA ALA 27 HA ALA 27 25.672 -14.645 -14.645 198 1HB ALA 27 3HB ALA 27 27.148 -13.615 -13.615 199 2HB ALA 27 2HB ALA 27 25.901 -14.357 -14.357 200 3HB ALA 27 1HB ALA 27 26.839 -15.349 -15.349 201 H ASP 28 H ASP 28 24.782 -15.948 -15.948 202 HA ASP 28 HA ASP 28 22.060 -16.359 -16.359 203 1HB ASP 28 2HB ASP 28 23.743 -17.378 -17.378 204 2HB ASP 28 1HB ASP 28 22.041 -17.797 -17.797 205 H ALA 29 H ALA 29 20.416 -16.468 -16.468 206 HA ALA 29 HA ALA 29 20.599 -14.515 -14.515 207 1HB ALA 29 2HB ALA 29 19.144 -13.704 -13.704 208 2HB ALA 29 1HB ALA 29 18.864 -12.946 -12.946 209 3HB ALA 29 3HB ALA 29 20.458 -12.858 -12.858 210 H SER 30 H SER 30 18.555 -14.240 -14.240 211 HA SER 30 HA SER 30 17.182 -16.700 -16.700 212 1HB SER 30 2HB SER 30 17.538 -15.127 -15.127 213 2HB SER 30 1HB SER 30 16.424 -13.990 -13.990 214 HG SER 30 HG SER 30 14.756 -15.290 -15.290 215 H LYS 31 H LYS 31 15.067 -17.267 -17.267 216 HA LYS 31 HA LYS 31 13.312 -15.451 -15.451 217 1HB LYS 31 2HB LYS 31 13.172 -16.905 -16.905 218 2HB LYS 31 1HB LYS 31 14.635 -15.943 -15.943 219 1HG LYS 31 2HG LYS 31 15.926 -17.825 -17.825 220 2HG LYS 31 1HG LYS 31 14.490 -18.820 -18.820 221 1HD LYS 31 2HD LYS 31 15.503 -19.431 -19.431 222 2HD LYS 31 1HD LYS 31 13.987 -18.589 -18.589 223 1HE LYS 31 2HE LYS 31 15.266 -16.511 -16.511 224 2HE LYS 31 1HE LYS 31 16.761 -17.411 -17.411 225 1HZ LYS 31 2HZ LYS 31 14.889 -18.418 -18.418 226 2HZ LYS 31 1HZ LYS 31 15.758 -17.018 -17.018 227 3HZ LYS 31 3HZ LYS 31 16.580 -18.446 -18.446 228 H GLY 32 H GLY 32 11.525 -15.920 -15.920 229 1HA GLY 32 2HA GLY 32 9.596 -17.436 -17.436 230 2HA GLY 32 1HA GLY 32 10.733 -18.762 -18.762 231 H ASP 33 H ASP 33 10.883 -19.571 -19.571 232 HA ASP 33 HA ASP 33 10.753 -19.806 -19.806 233 1HB ASP 33 2HB ASP 33 12.518 -18.040 -18.040 234 2HB ASP 33 1HB ASP 33 11.257 -16.824 -16.824 235 H ASP 34 H ASP 34 8.738 -20.358 -20.358 236 HA ASP 34 HA ASP 34 6.644 -18.313 -18.313 237 1HB ASP 34 2HB ASP 34 6.710 -21.182 -21.182 238 2HB ASP 34 1HB ASP 34 5.499 -20.748 -20.748 239 H LEU 35 H LEU 35 8.702 -18.208 -18.208 240 HA LEU 35 HA LEU 35 7.149 -18.847 -18.847 241 1HB LEU 35 2HB LEU 35 10.138 -18.763 -18.763 242 2HB LEU 35 1HB LEU 35 9.368 -18.875 -18.875 243 HG LEU 35 HG LEU 35 8.872 -20.917 -20.917 244 1HD1 LEU 35 3HD1 LEU 35 11.223 -20.567 -20.567 245 2HD1 LEU 35 2HD1 LEU 35 10.558 -22.196 -22.196 246 3HD1 LEU 35 1HD1 LEU 35 11.084 -21.348 -21.348 247 1HD2 LEU 35 1HD2 LEU 35 7.518 -20.516 -20.516 248 2HD2 LEU 35 3HD2 LEU 35 7.809 -22.126 -22.126 249 3HD2 LEU 35 2HD2 LEU 35 8.827 -21.510 -21.510 250 H LEU 36 H LEU 36 6.185 -17.002 -17.002 251 HA LEU 36 HA LEU 36 7.656 -14.479 -14.479 252 1HB LEU 36 2HB LEU 36 4.815 -15.256 -15.256 253 2HB LEU 36 1HB LEU 36 5.195 -13.789 -13.789 254 HG LEU 36 HG LEU 36 6.248 -12.868 -12.868 255 1HD1 LEU 36 1HD1 LEU 36 5.359 -15.506 -15.506 256 2HD1 LEU 36 3HD1 LEU 36 5.495 -14.089 -14.089 257 3HD1 LEU 36 2HD1 LEU 36 6.911 -14.687 -14.687 258 1HD2 LEU 36 3HD2 LEU 36 3.367 -13.735 -13.735 259 2HD2 LEU 36 2HD2 LEU 36 3.998 -12.227 -12.227 260 3HD2 LEU 36 1HD2 LEU 36 4.105 -12.542 -12.542 261 HA PRO 37 HA PRO 37 8.697 -14.023 -14.023 262 1HB PRO 37 2HB PRO 37 7.253 -11.417 -11.417 263 2HB PRO 37 1HB PRO 37 8.903 -11.775 -11.775 264 1HG PRO 37 2HG PRO 37 8.448 -10.609 -10.609 265 2HG PRO 37 1HG PRO 37 9.718 -11.835 -11.835 266 1HD PRO 37 2HD PRO 37 7.016 -12.068 -12.068 267 2HD PRO 37 1HD PRO 37 8.546 -12.836 -12.836 268 H ALA 38 H ALA 38 7.814 -14.633 -14.633 269 HA ALA 38 HA ALA 38 5.280 -13.872 -13.872 270 1HB ALA 38 2HB ALA 38 5.378 -16.334 -16.334 271 2HB ALA 38 1HB ALA 38 4.413 -16.381 -16.381 272 3HB ALA 38 3HB ALA 38 4.069 -15.177 -15.177 273 H GLY 39 H GLY 39 4.698 -14.967 -14.967 274 1HA GLY 39 2HA GLY 39 5.597 -16.903 -16.903 275 2HA GLY 39 1HA GLY 39 7.107 -16.013 -16.013 276 H THR 40 H THR 40 5.636 -13.421 -13.421 277 HA THR 40 HA THR 40 4.937 -13.402 -13.402 278 HB THR 40 HB THR 40 5.888 -10.840 -10.840 279 HG1 THR 40 HG1 THR 40 7.614 -13.070 -13.070 280 1HG2 THR 40 3HG2 THR 40 6.714 -12.711 -12.711 281 2HG2 THR 40 2HG2 THR 40 7.567 -11.203 -11.203 282 3HG2 THR 40 1HG2 THR 40 5.865 -11.171 -11.171 283 H GLU 41 H GLU 41 3.142 -13.709 -13.709 284 HA GLU 41 HA GLU 41 1.862 -11.379 -11.379 285 1HB GLU 41 2HB GLU 41 1.170 -14.231 -14.231 286 2HB GLU 41 1HB GLU 41 -0.214 -13.148 -13.148 287 1HG GLU 41 2HG GLU 41 0.721 -12.048 -12.048 288 2HG GLU 41 1HG GLU 41 1.863 -13.387 -13.387 289 H ASP 42 H ASP 42 1.644 -13.146 -13.146 290 HA ASP 42 HA ASP 42 -0.682 -11.854 -11.854 291 1HB ASP 42 2HB ASP 42 1.484 -13.547 -13.547 292 2HB ASP 42 1HB ASP 42 0.489 -12.607 -12.607 293 H TYR 43 H TYR 43 0.069 -9.681 -9.681 294 HA TYR 43 HA TYR 43 2.156 -8.315 -8.315 295 1HB TYR 43 2HB TYR 43 -0.221 -7.021 -7.021 296 2HB TYR 43 1HB TYR 43 1.400 -6.363 -6.363 297 HD1 TYR 43 HD1 TYR 43 2.985 -8.770 -8.770 298 HD2 TYR 43 HD2 TYR 43 -0.487 -6.937 -6.937 299 HE1 TYR 43 HE1 TYR 43 3.590 -9.623 -9.623 300 HE2 TYR 43 HE2 TYR 43 0.109 -7.786 -7.786 301 HH TYR 43 HH TYR 43 3.146 -9.037 -9.037 302 H ILE 44 H ILE 44 1.636 -6.166 -6.166 303 HA ILE 44 HA ILE 44 -0.326 -6.727 -6.727 304 HB ILE 44 HB ILE 44 2.147 -4.989 -4.989 305 1HG1 ILE 44 2HG1 ILE 44 2.861 -7.249 -7.249 306 2HG1 ILE 44 1HG1 ILE 44 2.867 -6.730 -6.730 307 1HG2 ILE 44 3HG2 ILE 44 0.114 -4.330 -4.330 308 2HG2 ILE 44 2HG2 ILE 44 0.459 -5.791 -5.791 309 3HG2 ILE 44 1HG2 ILE 44 1.666 -4.510 -4.510 310 1HD1 ILE 44 1HD1 ILE 44 0.568 -7.782 -7.782 311 2HD1 ILE 44 3HD1 ILE 44 0.919 -8.537 -8.537 312 3HD1 ILE 44 2HD1 ILE 44 1.942 -8.875 -8.875 313 H HIS 45 H HIS 45 -2.154 -5.733 -5.733 314 HA HIS 45 HA HIS 45 -2.137 -3.190 -3.190 315 1HB HIS 45 2HB HIS 45 -3.953 -5.326 -5.326 316 2HB HIS 45 1HB HIS 45 -4.738 -3.904 -3.904 317 HD1 HIS 45 HD1 HIS 45 -3.453 -5.319 -5.319 318 HD2 HIS 45 HD2 HIS 45 -5.418 -1.923 -1.923 319 HE1 HIS 45 HE1 HIS 45 -4.265 -4.141 -4.141 320 HE2 HIS 45 HE2 HIS 45 -5.381 -2.044 -2.044 321 H ILE 46 H ILE 46 -1.893 -1.324 -1.324 322 HA ILE 46 HA ILE 46 -2.149 -0.983 -0.983 323 HB ILE 46 HB ILE 46 -1.896 1.153 1.153 324 1HG1 ILE 46 2HG1 ILE 46 -0.078 -0.515 -0.515 325 2HG1 ILE 46 1HG1 ILE 46 0.499 1.064 1.064 326 1HG2 ILE 46 3HG2 ILE 46 -1.363 1.217 1.217 327 2HG2 ILE 46 2HG2 ILE 46 -0.972 2.512 2.512 328 3HG2 ILE 46 1HG2 ILE 46 -2.654 2.060 2.060 329 1HD1 ILE 46 1HD1 ILE 46 0.151 0.096 0.096 330 2HD1 ILE 46 3HD1 ILE 46 0.208 -1.460 -1.460 331 3HD1 ILE 46 2HD1 ILE 46 1.577 -0.351 -0.351 332 H ARG 47 H ARG 47 -3.671 1.443 1.443 333 HA ARG 47 HA ARG 47 -5.878 1.993 1.993 334 1HB ARG 47 2HB ARG 47 -6.355 -0.493 -0.493 335 2HB ARG 47 1HB ARG 47 -6.779 0.109 0.109 336 1HG ARG 47 2HG ARG 47 -8.795 0.658 0.658 337 2HG ARG 47 1HG ARG 47 -8.087 1.729 1.729 338 1HD ARG 47 2HD ARG 47 -7.901 -0.111 -0.111 339 2HD ARG 47 1HD ARG 47 -8.494 -1.240 -1.240 340 HE ARG 47 HE ARG 47 -10.621 -0.589 -0.589 341 1HH1 ARG 47 2HH1 ARG 47 -8.415 1.847 1.847 342 2HH1 ARG 47 1HH1 ARG 47 -9.650 2.754 2.754 343 1HH2 ARG 47 1HH2 ARG 47 -12.247 0.604 0.604 344 2HH2 ARG 47 2HH2 ARG 47 -11.826 2.050 2.050 345 H ILE 48 H ILE 48 -6.358 3.926 3.926 346 HA ILE 48 HA ILE 48 -6.080 4.554 4.554 347 HB ILE 48 HB ILE 48 -5.989 6.288 6.288 348 1HG1 ILE 48 2HG1 ILE 48 -4.097 5.809 5.809 349 2HG1 ILE 48 1HG1 ILE 48 -3.867 5.353 5.353 350 1HG2 ILE 48 3HG2 ILE 48 -6.306 7.219 7.219 351 2HG2 ILE 48 2HG2 ILE 48 -5.857 8.256 8.256 352 3HG2 ILE 48 1HG2 ILE 48 -7.435 7.471 7.471 353 1HD1 ILE 48 2HD1 ILE 48 -4.028 8.178 8.178 354 2HD1 ILE 48 1HD1 ILE 48 -2.539 7.309 7.309 355 3HD1 ILE 48 3HD1 ILE 48 -3.696 7.676 7.676 356 H GLN 49 H GLN 49 -7.713 5.978 5.978 357 HA GLN 49 HA GLN 49 -10.284 6.049 6.049 358 1HB GLN 49 2HB GLN 49 -11.466 5.158 5.158 359 2HB GLN 49 1HB GLN 49 -10.392 3.975 3.975 360 1HG GLN 49 2HG GLN 49 -8.780 5.137 5.137 361 2HG GLN 49 1HG GLN 49 -10.355 5.152 5.152 362 1HE2 GLN 49 2HE2 GLN 49 -10.191 1.829 1.829 363 2HE2 GLN 49 1HE2 GLN 49 -10.828 3.415 3.415 364 H GLN 50 H GLN 50 -10.221 8.254 8.254 365 HA GLN 50 HA GLN 50 -9.959 9.761 9.761 366 1HB GLN 50 2HB GLN 50 -8.965 10.211 10.211 367 2HB GLN 50 1HB GLN 50 -10.253 11.392 11.392 368 1HG GLN 50 2HG GLN 50 -9.190 12.441 12.441 369 2HG GLN 50 1HG GLN 50 -8.185 11.039 11.039 370 1HE2 GLN 50 1HE2 GLN 50 -6.992 13.430 13.430 371 2HE2 GLN 50 2HE2 GLN 50 -6.040 13.573 13.573 372 H ARG 51 H ARG 51 -11.876 9.863 9.863 373 HA ARG 51 HA ARG 51 -14.392 9.697 9.697 374 1HB ARG 51 2HB ARG 51 -13.331 10.087 10.087 375 2HB ARG 51 1HB ARG 51 -14.560 11.318 11.318 376 1HG ARG 51 2HG ARG 51 -15.863 9.654 9.654 377 2HG ARG 51 1HG ARG 51 -15.941 9.252 9.252 378 1HD ARG 51 2HD ARG 51 -15.339 7.204 7.204 379 2HD ARG 51 1HD ARG 51 -13.719 7.900 7.900 380 HE ARG 51 HE ARG 51 -14.576 8.487 8.487 381 1HH1 ARG 51 2HH1 ARG 51 -14.607 5.508 5.508 382 2HH1 ARG 51 1HH1 ARG 51 -14.486 4.504 4.504 383 1HH2 ARG 51 1HH2 ARG 51 -14.414 7.165 7.165 384 2HH2 ARG 51 2HH2 ARG 51 -14.376 5.443 5.443 385 H ASN 52 H ASN 52 -13.395 12.698 12.698 386 HA ASN 52 HA ASN 52 -14.898 14.195 14.195 387 1HB ASN 52 2HB ASN 52 -13.708 15.232 15.232 388 2HB ASN 52 1HB ASN 52 -14.922 16.016 16.016 389 1HD2 ASN 52 2HD2 ASN 52 -15.972 13.368 13.368 390 2HD2 ASN 52 1HD2 ASN 52 -14.338 13.855 13.855 391 H GLY 53 H GLY 53 -12.403 13.131 13.131 392 1HA GLY 53 2HA GLY 53 -10.556 13.794 13.794 393 2HA GLY 53 1HA GLY 53 -11.220 15.422 15.422 394 H ARG 54 H ARG 54 -10.659 13.788 13.788 395 HA ARG 54 HA ARG 54 -8.034 14.975 14.975 396 1HB ARG 54 2HB ARG 54 -8.606 16.315 16.315 397 2HB ARG 54 1HB ARG 54 -9.718 16.737 16.737 398 1HG ARG 54 2HG ARG 54 -11.347 15.110 15.110 399 2HG ARG 54 1HG ARG 54 -10.261 15.117 15.117 400 1HD ARG 54 2HD ARG 54 -10.469 17.646 17.646 401 2HD ARG 54 1HD ARG 54 -11.792 17.421 17.421 402 HE ARG 54 HE ARG 54 -12.339 15.811 15.811 403 1HH1 ARG 54 2HH1 ARG 54 -11.957 19.216 19.216 404 2HH1 ARG 54 1HH1 ARG 54 -13.039 19.710 19.710 405 1HH2 ARG 54 1HH2 ARG 54 -13.761 16.459 16.459 406 2HH2 ARG 54 2HH2 ARG 54 -14.063 18.146 18.146 407 H LYS 55 H LYS 55 -10.717 13.266 13.266 408 HA LYS 55 HA LYS 55 -9.027 11.995 11.995 409 1HB LYS 55 2HB LYS 55 -11.455 12.408 12.408 410 2HB LYS 55 1HB LYS 55 -11.814 11.221 11.221 411 1HG LYS 55 2HG LYS 55 -12.051 10.312 10.312 412 2HG LYS 55 1HG LYS 55 -10.817 9.467 9.467 413 1HD LYS 55 2HD LYS 55 -10.060 9.878 9.878 414 2HD LYS 55 1HD LYS 55 -9.075 10.766 10.766 415 1HE LYS 55 2HE LYS 55 -9.682 12.750 12.750 416 2HE LYS 55 1HE LYS 55 -11.378 12.281 12.281 417 1HZ LYS 55 2HZ LYS 55 -9.300 11.439 11.439 418 2HZ LYS 55 1HZ LYS 55 -10.321 12.769 12.769 419 3HZ LYS 55 3HZ LYS 55 -10.970 11.209 11.209 420 H THR 56 H THR 56 -7.517 11.419 11.419 421 HA THR 56 HA THR 56 -8.225 9.204 9.204 422 HB THR 56 HB THR 56 -5.365 9.674 9.674 423 HG1 THR 56 HG1 THR 56 -5.507 11.754 11.754 424 1HG2 THR 56 3HG2 THR 56 -7.140 9.100 9.100 425 2HG2 THR 56 2HG2 THR 56 -5.968 10.361 10.361 426 3HG2 THR 56 1HG2 THR 56 -5.415 8.784 8.784 427 H LEU 57 H LEU 57 -7.413 7.087 7.087 428 HA LEU 57 HA LEU 57 -6.059 6.186 6.186 429 1HB LEU 57 2HB LEU 57 -8.919 5.758 5.758 430 2HB LEU 57 1HB LEU 57 -8.033 4.304 4.304 431 HG LEU 57 HG LEU 57 -8.070 6.812 6.812 432 1HD1 LEU 57 2HD1 LEU 57 -9.887 4.487 4.487 433 2HD1 LEU 57 1HD1 LEU 57 -9.397 5.019 5.019 434 3HD1 LEU 57 3HD1 LEU 57 -10.197 6.146 6.146 435 1HD2 LEU 57 3HD2 LEU 57 -6.825 4.111 4.111 436 2HD2 LEU 57 2HD2 LEU 57 -6.138 5.703 5.703 437 3HD2 LEU 57 1HD2 LEU 57 -7.316 5.010 5.010 438 H THR 58 H THR 58 -4.451 5.787 5.787 439 HA THR 58 HA THR 58 -4.817 4.135 4.135 440 HB THR 58 HB THR 58 -2.309 4.513 4.513 441 HG1 THR 58 HG1 THR 58 -3.443 6.418 6.418 442 1HG2 THR 58 2HG2 THR 58 -2.200 2.644 2.644 443 2HG2 THR 58 1HG2 THR 58 -2.526 3.816 3.816 444 3HG2 THR 58 3HG2 THR 58 -1.061 3.955 3.955 445 H THR 59 H THR 59 -5.204 2.029 2.029 446 HA THR 59 HA THR 59 -4.745 0.320 0.320 447 HB THR 59 HB THR 59 -6.195 -1.228 -1.228 448 HG1 THR 59 HG1 THR 59 -6.394 0.651 0.651 449 1HG2 THR 59 2HG2 THR 59 -6.610 -0.091 -0.091 450 2HG2 THR 59 1HG2 THR 59 -7.959 0.507 0.507 451 3HG2 THR 59 3HG2 THR 59 -7.678 -1.228 -1.228 452 H VAL 60 H VAL 60 -4.036 -1.914 -1.914 453 HA VAL 60 HA VAL 60 -2.294 -2.135 -2.135 454 HB VAL 60 HB VAL 60 -1.545 -3.132 -3.132 455 1HG1 VAL 60 2HG1 VAL 60 -0.576 -4.358 -4.358 456 2HG1 VAL 60 1HG1 VAL 60 0.084 -2.845 -2.845 457 3HG1 VAL 60 3HG1 VAL 60 0.649 -3.487 -3.487 458 1HG2 VAL 60 3HG2 VAL 60 -0.975 -0.548 -0.548 459 2HG2 VAL 60 2HG2 VAL 60 -1.389 -0.849 -0.849 460 3HG2 VAL 60 1HG2 VAL 60 0.224 -1.242 -1.242 461 H GLN 61 H GLN 61 -2.907 -3.789 -3.789 462 HA GLN 61 HA GLN 61 -4.114 -6.127 -6.127 463 1HB GLN 61 2HB GLN 61 -5.230 -4.585 -4.585 464 2HB GLN 61 1HB GLN 61 -4.453 -5.824 -5.824 465 1HG GLN 61 2HG GLN 61 -5.659 -7.349 -7.349 466 2HG GLN 61 1HG GLN 61 -6.783 -5.994 -5.994 467 1HE2 GLN 61 2HE2 GLN 61 -7.080 -6.653 -6.653 468 2HE2 GLN 61 1HE2 GLN 61 -6.384 -5.382 -5.382 469 H GLY 62 H GLY 62 -3.577 -8.225 -8.225 470 1HA GLY 62 2HA GLY 62 -2.265 -9.689 -9.689 471 2HA GLY 62 1HA GLY 62 -1.169 -8.354 -8.354 472 H ILE 63 H ILE 63 -0.732 -7.457 -7.457 473 HA ILE 63 HA ILE 63 1.411 -8.946 -8.946 474 HB ILE 63 HB ILE 63 -0.406 -7.107 -7.107 475 1HG1 ILE 63 2HG1 ILE 63 0.828 -5.553 -5.553 476 2HG1 ILE 63 1HG1 ILE 63 2.192 -6.084 -6.084 477 1HG2 ILE 63 3HG2 ILE 63 1.662 -8.871 -8.871 478 2HG2 ILE 63 2HG2 ILE 63 1.845 -7.179 -7.179 479 3HG2 ILE 63 1HG2 ILE 63 0.345 -8.035 -8.035 480 1HD1 ILE 63 1HD1 ILE 63 1.482 -7.108 -7.108 481 2HD1 ILE 63 3HD1 ILE 63 2.756 -5.950 -5.950 482 3HD1 ILE 63 2HD1 ILE 63 2.867 -7.608 -7.608 483 H ALA 64 H ALA 64 1.790 -10.510 -10.510 484 HA ALA 64 HA ALA 64 -0.363 -12.386 -12.386 485 1HB ALA 64 1HB ALA 64 2.460 -12.517 -12.517 486 2HB ALA 64 3HB ALA 64 1.970 -13.169 -13.169 487 3HB ALA 64 2HB ALA 64 1.303 -13.846 -13.846 488 H ASP 65 H ASP 65 -0.788 -13.383 -13.383 489 HA ASP 65 HA ASP 65 -1.265 -11.359 -11.359 490 1HB ASP 65 2HB ASP 65 -1.844 -14.329 -14.329 491 2HB ASP 65 1HB ASP 65 -2.401 -13.184 -13.184 492 H ASP 66 H ASP 66 1.255 -13.538 -13.538 493 HA ASP 66 HA ASP 66 2.110 -13.693 -13.693 494 1HB ASP 66 2HB ASP 66 3.312 -14.909 -14.909 495 2HB ASP 66 1HB ASP 66 3.879 -15.189 -15.189 496 H TYR 67 H TYR 67 2.103 -11.156 -11.156 497 HA TYR 67 HA TYR 67 4.934 -10.568 -10.568 498 1HB TYR 67 2HB TYR 67 2.380 -9.204 -9.204 499 2HB TYR 67 1HB TYR 67 3.823 -8.220 -8.220 500 HD1 TYR 67 HD1 TYR 67 4.100 -11.638 -11.638 501 HD2 TYR 67 HD2 TYR 67 3.748 -7.526 -7.526 502 HE1 TYR 67 HE1 TYR 67 4.774 -12.154 -12.154 503 HE2 TYR 67 HE2 TYR 67 4.415 -8.020 -8.020 504 HH TYR 67 HH TYR 67 4.256 -10.309 -10.309 505 H ASP 68 H ASP 68 3.467 -11.035 -11.035 506 HA ASP 68 HA ASP 68 3.391 -10.162 -10.162 507 1HB ASP 68 2HB ASP 68 5.948 -10.192 -10.192 508 2HB ASP 68 1HB ASP 68 5.768 -8.458 -8.458 509 H LYS 69 H LYS 69 1.448 -8.950 -8.950 510 HA LYS 69 HA LYS 69 1.149 -6.468 -6.468 511 1HB LYS 69 2HB LYS 69 -0.189 -7.343 -7.343 512 2HB LYS 69 1HB LYS 69 -0.800 -6.179 -6.179 513 1HG LYS 69 2HG LYS 69 -1.978 -7.911 -7.911 514 2HG LYS 69 1HG LYS 69 -0.468 -8.372 -8.372 515 1HD LYS 69 2HD LYS 69 -0.728 -10.323 -10.323 516 2HD LYS 69 1HD LYS 69 -0.158 -9.442 -9.442 517 1HE LYS 69 2HE LYS 69 -2.991 -9.043 -9.043 518 2HE LYS 69 1HE LYS 69 -2.596 -10.756 -10.756 519 1HZ LYS 69 2HZ LYS 69 -1.342 -9.030 -9.030 520 2HZ LYS 69 1HZ LYS 69 -3.023 -9.165 -9.165 521 3HZ LYS 69 3HZ LYS 69 -2.055 -10.553 -10.553 522 H LYS 70 H LYS 70 2.544 -7.246 -7.246 523 HA LYS 70 HA LYS 70 2.555 -4.636 -4.636 524 1HB LYS 70 2HB LYS 70 3.309 -7.172 -7.172 525 2HB LYS 70 1HB LYS 70 4.812 -6.262 -6.262 526 1HG LYS 70 2HG LYS 70 4.097 -4.786 -4.786 527 2HG LYS 70 1HG LYS 70 2.390 -5.082 -5.082 528 1HD LYS 70 2HD LYS 70 3.181 -7.548 -7.548 529 2HD LYS 70 1HD LYS 70 4.261 -6.537 -6.537 530 1HE LYS 70 2HE LYS 70 2.491 -5.488 -5.488 531 2HE LYS 70 1HE LYS 70 1.320 -5.973 -5.973 532 1HZ LYS 70 1HZ LYS 70 2.664 -8.113 -8.113 533 2HZ LYS 70 3HZ LYS 70 1.542 -7.197 -7.197 534 3HZ LYS 70 2HZ LYS 70 1.062 -8.006 -8.006 535 H LYS 71 H LYS 71 5.080 -6.502 -6.502 536 HA LYS 71 HA LYS 71 6.732 -4.115 -4.115 537 1HB LYS 71 2HB LYS 71 7.505 -6.571 -6.571 538 2HB LYS 71 1HB LYS 71 7.457 -6.743 -6.743 539 1HG LYS 71 2HG LYS 71 8.843 -4.411 -4.411 540 2HG LYS 71 1HG LYS 71 9.375 -5.346 -5.346 541 1HD LYS 71 2HD LYS 71 9.436 -7.189 -7.189 542 2HD LYS 71 1HD LYS 71 9.977 -5.702 -5.702 543 1HE LYS 71 2HE LYS 71 11.293 -5.800 -5.800 544 2HE LYS 71 1HE LYS 71 11.388 -7.430 -7.430 545 1HZ LYS 71 3HZ LYS 71 12.154 -4.979 -4.979 546 2HZ LYS 71 2HZ LYS 71 13.249 -5.973 -5.973 547 3HZ LYS 71 1HZ LYS 71 12.381 -6.581 -6.581 548 H LEU 72 H LEU 72 4.158 -4.457 -4.457 549 HA LEU 72 HA LEU 72 5.219 -4.218 -4.218 550 1HB LEU 72 2HB LEU 72 3.534 -6.091 -6.091 551 2HB LEU 72 1HB LEU 72 2.347 -4.802 -4.802 552 HG LEU 72 HG LEU 72 3.984 -5.696 -5.696 553 1HD1 LEU 72 1HD1 LEU 72 1.743 -6.818 -6.818 554 2HD1 LEU 72 3HD1 LEU 72 1.041 -5.581 -5.581 555 3HD1 LEU 72 2HD1 LEU 72 2.150 -6.776 -6.776 556 1HD2 LEU 72 3HD2 LEU 72 2.240 -3.294 -3.294 557 2HD2 LEU 72 2HD2 LEU 72 3.838 -3.391 -3.391 558 3HD2 LEU 72 1HD2 LEU 72 2.427 -4.007 -4.007 559 H VAL 73 H VAL 73 2.671 -3.030 -3.030 560 HA VAL 73 HA VAL 73 2.452 -0.590 -0.590 561 HB VAL 73 HB VAL 73 0.654 -0.079 -0.079 562 1HG1 VAL 73 3HG1 VAL 73 0.333 -2.053 -2.053 563 2HG1 VAL 73 2HG1 VAL 73 -1.022 -1.357 -1.357 564 3HG1 VAL 73 1HG1 VAL 73 0.056 -0.312 -0.312 565 1HG2 VAL 73 3HG2 VAL 73 1.390 -2.128 -2.128 566 2HG2 VAL 73 2HG2 VAL 73 -0.342 -1.930 -1.930 567 3HG2 VAL 73 1HG2 VAL 73 0.570 -3.082 -3.082 568 H LYS 74 H LYS 74 3.437 -1.694 -1.694 569 HA LYS 74 HA LYS 74 3.734 0.781 0.781 570 1HB LYS 74 2HB LYS 74 3.966 -1.545 -1.545 571 2HB LYS 74 1HB LYS 74 5.609 -1.547 -1.547 572 1HG LYS 74 2HG LYS 74 5.719 0.760 0.760 573 2HG LYS 74 1HG LYS 74 4.429 0.011 0.011 574 1HD LYS 74 2HD LYS 74 6.321 -0.649 -0.649 575 2HD LYS 74 1HD LYS 74 6.038 -2.029 -2.029 576 1HE LYS 74 2HE LYS 74 7.688 0.006 0.006 577 2HE LYS 74 1HE LYS 74 8.392 -0.591 -0.591 578 1HZ LYS 74 2HZ LYS 74 7.360 -2.503 -2.503 579 2HZ LYS 74 1HZ LYS 74 8.881 -1.801 -1.801 580 3HZ LYS 74 3HZ LYS 74 8.573 -2.714 -2.714 581 H ALA 75 H ALA 75 5.918 -1.010 -1.010 582 HA ALA 75 HA ALA 75 8.139 0.716 0.716 583 1HB ALA 75 3HB ALA 75 7.323 -1.477 -1.477 584 2HB ALA 75 2HB ALA 75 8.433 -0.309 -0.309 585 3HB ALA 75 1HB ALA 75 8.878 -1.154 -1.154 586 H PHE 76 H PHE 76 5.202 0.866 0.866 587 HA PHE 76 HA PHE 76 5.995 2.754 2.754 588 1HB PHE 76 2HB PHE 76 3.819 1.285 1.285 589 2HB PHE 76 1HB PHE 76 3.196 2.697 2.697 590 HD1 PHE 76 HD2 PHE 76 4.607 1.519 1.519 591 HD2 PHE 76 HD1 PHE 76 2.511 4.617 4.617 592 HE1 PHE 76 HE2 PHE 76 4.094 2.579 2.579 593 HE2 PHE 76 HE1 PHE 76 1.994 5.681 5.681 594 HZ PHE 76 HZ PHE 76 2.787 4.661 4.661 595 H LYS 77 H LYS 77 4.360 3.139 3.139 596 HA LYS 77 HA LYS 77 4.200 5.950 5.950 597 1HB LYS 77 2HB LYS 77 4.329 4.105 4.105 598 2HB LYS 77 1HB LYS 77 3.826 5.789 5.789 599 1HG LYS 77 2HG LYS 77 1.819 5.356 5.356 600 2HG LYS 77 1HG LYS 77 2.410 3.876 3.876 601 1HD LYS 77 2HD LYS 77 2.561 3.591 3.591 602 2HD LYS 77 1HD LYS 77 0.946 4.154 4.154 603 1HE LYS 77 2HE LYS 77 0.596 2.305 2.305 604 2HE LYS 77 1HE LYS 77 2.294 1.836 1.836 605 1HZ LYS 77 1HZ LYS 77 1.629 1.722 1.722 606 2HZ LYS 77 3HZ LYS 77 0.139 1.324 1.324 607 3HZ LYS 77 2HZ LYS 77 1.511 0.400 0.400 608 H LYS 78 H LYS 78 6.864 3.867 3.867 609 HA LYS 78 HA LYS 78 8.414 5.836 5.836 610 1HB LYS 78 2HB LYS 78 8.446 3.157 3.157 611 2HB LYS 78 1HB LYS 78 9.693 3.396 3.396 612 1HG LYS 78 2HG LYS 78 9.684 4.658 4.658 613 2HG LYS 78 1HG LYS 78 10.598 3.218 3.218 614 1HD LYS 78 2HD LYS 78 11.523 4.775 4.775 615 2HD LYS 78 1HD LYS 78 11.006 6.065 6.065 616 1HE LYS 78 2HE LYS 78 13.051 5.806 5.806 617 2HE LYS 78 1HE LYS 78 12.312 4.434 4.434 618 1HZ LYS 78 2HZ LYS 78 13.087 3.010 3.010 619 2HZ LYS 78 1HZ LYS 78 13.869 4.336 4.336 620 3HZ LYS 78 3HZ LYS 78 14.367 3.762 3.762 621 H LYS 79 H LYS 79 7.862 4.865 4.865 622 HA LYS 79 HA LYS 79 10.323 6.142 6.142 623 1HB LYS 79 2HB LYS 79 8.988 3.883 3.883 624 2HB LYS 79 1HB LYS 79 8.530 5.084 5.084 625 1HG LYS 79 2HG LYS 79 11.090 5.586 5.586 626 2HG LYS 79 1HG LYS 79 11.217 3.967 3.967 627 1HD LYS 79 2HD LYS 79 10.833 3.026 3.026 628 2HD LYS 79 1HD LYS 79 9.372 3.986 3.986 629 1HE LYS 79 2HE LYS 79 12.195 4.858 4.858 630 2HE LYS 79 1HE LYS 79 10.976 4.385 4.385 631 1HZ LYS 79 3HZ LYS 79 10.144 6.483 6.483 632 2HZ LYS 79 2HZ LYS 79 11.433 6.908 6.908 633 3HZ LYS 79 1HZ LYS 79 9.979 6.369 6.369 634 H PHE 80 H PHE 80 6.805 6.315 6.315 635 HA PHE 80 HA PHE 80 7.206 9.025 9.025 636 1HB PHE 80 2HB PHE 80 4.673 7.537 7.537 637 2HB PHE 80 1HB PHE 80 5.505 8.716 8.716 638 HD1 PHE 80 HD1 PHE 80 5.607 5.212 5.212 639 HD2 PHE 80 HD2 PHE 80 6.965 8.036 8.036 640 HE1 PHE 80 HE1 PHE 80 6.564 3.381 3.381 641 HE2 PHE 80 HE2 PHE 80 7.924 6.211 6.211 642 HZ PHE 80 HZ PHE 80 7.725 3.881 3.881 643 H ALA 81 H ALA 81 5.757 7.194 7.194 644 HA ALA 81 HA ALA 81 4.648 7.861 7.861 645 1HB ALA 81 2HB ALA 81 6.010 10.096 10.096 646 2HB ALA 81 1HB ALA 81 4.355 10.689 10.689 647 3HB ALA 81 3HB ALA 81 4.913 9.978 9.978 648 H CYS 82 H CYS 82 3.272 6.844 6.844 649 HA CYS 82 HA CYS 82 0.784 8.415 8.415 650 1HB CYS 82 2HB CYS 82 2.104 6.619 6.619 651 2HB CYS 82 1HB CYS 82 0.345 6.581 6.581 652 HG CYS 82 HG CYS 82 1.884 8.605 8.605 653 H ASN 83 H ASN 83 -1.190 7.429 7.429 654 HA ASN 83 HA ASN 83 -1.113 5.382 5.382 655 1HB ASN 83 2HB ASN 83 -2.991 7.284 7.284 656 2HB ASN 83 1HB ASN 83 -3.757 5.704 5.704 657 1HD2 ASN 83 2HD2 ASN 83 -2.376 6.688 6.688 658 2HD2 ASN 83 1HD2 ASN 83 -1.383 6.910 6.910 659 H GLY 84 H GLY 84 -0.518 3.380 3.380 660 1HA GLY 84 2HA GLY 84 -1.660 2.239 2.239 661 2HA GLY 84 1HA GLY 84 -0.255 1.623 1.623 662 H THR 85 H THR 85 -3.576 1.304 1.304 663 HA THR 85 HA THR 85 -3.883 -0.362 -0.362 664 HB THR 85 HB THR 85 -6.294 -0.148 -0.148 665 HG1 THR 85 HG1 THR 85 -5.553 1.327 1.327 666 1HG2 THR 85 1HG2 THR 85 -4.689 1.881 1.881 667 2HG2 THR 85 3HG2 THR 85 -5.664 2.669 2.669 668 3HG2 THR 85 2HG2 THR 85 -6.449 1.851 1.851 669 H VAL 86 H VAL 86 -5.177 -2.360 -2.360 670 HA VAL 86 HA VAL 86 -4.608 -3.649 -3.649 671 HB VAL 86 HB VAL 86 -3.312 -4.595 -4.595 672 1HG1 VAL 86 2HG1 VAL 86 -5.553 -4.164 -4.164 673 2HG1 VAL 86 1HG1 VAL 86 -5.566 -5.913 -5.913 674 3HG1 VAL 86 3HG1 VAL 86 -4.154 -5.121 -5.121 675 1HG2 VAL 86 3HG2 VAL 86 -5.451 -6.377 -6.377 676 2HG2 VAL 86 2HG2 VAL 86 -3.838 -6.078 -6.078 677 3HG2 VAL 86 1HG2 VAL 86 -4.033 -6.970 -6.970 678 H ILE 87 H ILE 87 -6.791 -2.583 -2.583 679 HA ILE 87 HA ILE 87 -9.135 -3.688 -3.688 680 HB ILE 87 HB ILE 87 -10.389 -2.528 -2.528 681 1HG1 ILE 87 2HG1 ILE 87 -8.110 -1.234 -1.234 682 2HG1 ILE 87 1HG1 ILE 87 -8.174 -2.965 -2.965 683 1HG2 ILE 87 2HG2 ILE 87 -9.572 -1.256 -1.256 684 2HG2 ILE 87 1HG2 ILE 87 -8.114 -0.838 -0.838 685 3HG2 ILE 87 3HG2 ILE 87 -9.686 -0.253 -0.253 686 1HD1 ILE 87 3HD1 ILE 87 -10.715 -1.516 -1.516 687 2HD1 ILE 87 2HD1 ILE 87 -9.454 -1.140 -1.140 688 3HD1 ILE 87 1HD1 ILE 87 -10.009 -2.803 -2.803 689 H GLU 88 H GLU 88 -10.752 -4.961 -4.961 690 HA GLU 88 HA GLU 88 -9.593 -6.886 -6.886 691 1HB GLU 88 2HB GLU 88 -10.484 -7.571 -7.571 692 2HB GLU 88 1HB GLU 88 -12.065 -7.435 -7.435 693 1HG GLU 88 2HG GLU 88 -11.296 -9.032 -9.032 694 2HG GLU 88 1HG GLU 88 -9.808 -9.243 -9.243 695 H HIS 89 H HIS 89 -10.136 -5.238 -5.238 696 HA HIS 89 HA HIS 89 -12.677 -4.330 -4.330 697 1HB HIS 89 2HB HIS 89 -10.278 -3.938 -3.938 698 2HB HIS 89 1HB HIS 89 -10.922 -5.080 -5.080 699 HD1 HIS 89 HD1 HIS 89 -12.338 -4.113 -4.113 700 HD2 HIS 89 HD2 HIS 89 -12.026 -1.581 -1.581 701 HE1 HIS 89 HE1 HIS 89 -13.522 -1.998 -1.998 702 HE2 HIS 89 HE2 HIS 89 -13.288 -0.464 -0.464 703 HA PRO 90 HA PRO 90 -14.737 -8.065 -8.065 704 1HB PRO 90 2HB PRO 90 -17.046 -6.985 -6.985 705 2HB PRO 90 1HB PRO 90 -16.615 -7.030 -7.030 706 1HG PRO 90 2HG PRO 90 -16.407 -4.766 -4.766 707 2HG PRO 90 1HG PRO 90 -16.975 -4.749 -4.749 708 1HD PRO 90 2HD PRO 90 -14.457 -3.986 -3.986 709 2HD PRO 90 1HD PRO 90 -14.849 -4.626 -4.626 710 H GLU 91 H GLU 91 -13.928 -5.435 -5.435 711 HA GLU 91 HA GLU 91 -14.864 -6.713 -6.713 712 1HB GLU 91 2HB GLU 91 -14.037 -4.095 -4.095 713 2HB GLU 91 1HB GLU 91 -13.059 -4.606 -4.606 714 1HG GLU 91 2HG GLU 91 -15.080 -3.370 -3.370 715 2HG GLU 91 1HG GLU 91 -15.018 -5.001 -5.001 716 H TYR 92 H TYR 92 -11.977 -6.590 -6.590 717 HA TYR 92 HA TYR 92 -10.554 -8.085 -8.085 718 1HB TYR 92 2HB TYR 92 -9.082 -6.538 -6.538 719 2HB TYR 92 1HB TYR 92 -8.554 -7.006 -7.006 720 HD1 TYR 92 HD2 TYR 92 -10.690 -6.022 -6.022 721 HD2 TYR 92 HD1 TYR 92 -8.929 -4.222 -4.222 722 HE1 TYR 92 HE2 TYR 92 -11.321 -3.804 -3.804 723 HE2 TYR 92 HE1 TYR 92 -9.558 -1.998 -1.998 724 HH TYR 92 HH TYR 92 -11.257 -1.023 -1.023 725 H GLY 93 H GLY 93 -10.625 -7.526 -7.526 726 1HA GLY 93 2HA GLY 93 -10.991 -9.332 -9.332 727 2HA GLY 93 1HA GLY 93 -10.284 -10.428 -10.428 728 H GLU 94 H GLU 94 -9.702 -8.322 -8.322 729 HA GLU 94 HA GLU 94 -7.894 -8.002 -8.002 730 1HB GLU 94 2HB GLU 94 -7.739 -10.533 -10.533 731 2HB GLU 94 1HB GLU 94 -6.476 -10.178 -10.178 732 1HG GLU 94 2HG GLU 94 -5.034 -10.229 -10.229 733 2HG GLU 94 1HG GLU 94 -5.756 -8.728 -8.728 734 H VAL 95 H VAL 95 -7.327 -5.976 -5.976 735 HA VAL 95 HA VAL 95 -4.927 -5.842 -5.842 736 HB VAL 95 HB VAL 95 -5.825 -3.848 -3.848 737 1HG1 VAL 95 2HG1 VAL 95 -5.903 -6.386 -6.386 738 2HG1 VAL 95 1HG1 VAL 95 -7.643 -6.098 -6.098 739 3HG1 VAL 95 3HG1 VAL 95 -6.616 -5.115 -5.115 740 1HG2 VAL 95 1HG2 VAL 95 -8.386 -4.733 -4.733 741 2HG2 VAL 95 3HG2 VAL 95 -7.614 -3.149 -3.149 742 3HG2 VAL 95 2HG2 VAL 95 -8.341 -3.703 -3.703 743 H ILE 96 H ILE 96 -3.571 -4.114 -4.114 744 HA ILE 96 HA ILE 96 -4.032 -2.941 -2.941 745 HB ILE 96 HB ILE 96 -1.705 -3.111 -3.111 746 1HG1 ILE 96 2HG1 ILE 96 -2.293 -4.728 -4.728 747 2HG1 ILE 96 1HG1 ILE 96 -0.643 -4.109 -4.109 748 1HG2 ILE 96 1HG2 ILE 96 -2.166 -0.893 -0.893 749 2HG2 ILE 96 3HG2 ILE 96 -0.544 -1.577 -1.577 750 3HG2 ILE 96 2HG2 ILE 96 -1.324 -0.887 -0.887 751 1HD1 ILE 96 1HD1 ILE 96 -2.094 -2.329 -2.329 752 2HD1 ILE 96 3HD1 ILE 96 -2.656 -3.935 -3.935 753 3HD1 ILE 96 2HD1 ILE 96 -0.939 -3.547 -3.547 754 H GLN 97 H GLN 97 -4.766 -0.981 -0.981 755 HA GLN 97 HA GLN 97 -5.239 0.829 0.829 756 1HB GLN 97 2HB GLN 97 -6.828 -0.004 -0.004 757 2HB GLN 97 1HB GLN 97 -6.590 1.734 1.734 758 1HG GLN 97 2HG GLN 97 -7.370 1.887 1.887 759 2HG GLN 97 1HG GLN 97 -7.788 0.176 0.176 760 1HE2 GLN 97 2HE2 GLN 97 -9.869 2.724 2.724 761 2HE2 GLN 97 1HE2 GLN 97 -8.169 2.927 2.927 762 H LEU 98 H LEU 98 -3.719 2.326 2.326 763 HA LEU 98 HA LEU 98 -2.404 3.439 3.439 764 1HB LEU 98 2HB LEU 98 -1.797 3.954 3.954 765 2HB LEU 98 1HB LEU 98 -0.819 4.424 4.424 766 HG LEU 98 HG LEU 98 -1.375 1.524 1.524 767 1HD1 LEU 98 2HD1 LEU 98 -0.576 2.825 2.825 768 2HD1 LEU 98 1HD1 LEU 98 0.988 2.669 2.669 769 3HD1 LEU 98 3HD1 LEU 98 0.044 1.229 1.229 770 1HD2 LEU 98 1HD2 LEU 98 0.066 2.942 2.942 771 2HD2 LEU 98 3HD2 LEU 98 0.337 1.246 1.246 772 3HD2 LEU 98 2HD2 LEU 98 1.309 2.500 2.500 773 H GLN 99 H GLN 99 -2.202 5.785 5.785 774 HA GLN 99 HA GLN 99 -4.690 7.079 7.079 775 1HB GLN 99 2HB GLN 99 -2.981 7.230 7.230 776 2HB GLN 99 1HB GLN 99 -3.061 8.827 8.827 777 1HG GLN 99 2HG GLN 99 -5.562 7.274 7.274 778 2HG GLN 99 1HG GLN 99 -4.780 8.154 8.154 779 1HE2 GLN 99 2HE2 GLN 99 -6.908 10.083 10.083 780 2HE2 GLN 99 1HE2 GLN 99 -6.642 8.377 8.377 781 H GLY 100 H GLY 100 -4.841 8.843 8.843 782 1HA GLY 100 2HA GLY 100 -4.180 10.537 10.537 783 2HA GLY 100 1HA GLY 100 -2.540 10.350 10.350 784 H ASP 101 H ASP 101 -2.730 10.855 10.855 785 HA ASP 101 HA ASP 101 -2.977 8.508 8.508 786 1HB ASP 101 2HB ASP 101 -2.012 9.954 9.954 787 2HB ASP 101 1HB ASP 101 -3.409 10.673 10.673 788 H GLN 102 H GLN 102 -1.590 6.934 6.934 789 HA GLN 102 HA GLN 102 1.275 7.560 7.560 790 1HB GLN 102 2HB GLN 102 -0.470 5.693 5.693 791 2HB GLN 102 1HB GLN 102 1.059 4.999 4.999 792 1HG GLN 102 2HG GLN 102 0.965 6.024 6.024 793 2HG GLN 102 1HG GLN 102 2.308 6.498 6.498 794 1HE2 GLN 102 2HE2 GLN 102 -0.666 9.281 9.281 795 2HE2 GLN 102 1HE2 GLN 102 -1.020 7.633 7.633 796 H ARG 103 H ARG 103 -0.761 6.721 6.721 797 HA ARG 103 HA ARG 103 -0.115 4.301 4.301 798 1HB ARG 103 2HB ARG 103 -0.542 5.360 5.360 799 2HB ARG 103 1HB ARG 103 -1.782 5.687 5.687 800 1HG ARG 103 2HG ARG 103 -0.930 7.900 7.900 801 2HG ARG 103 1HG ARG 103 0.454 7.580 7.580 802 1HD ARG 103 2HD ARG 103 -0.721 7.963 7.963 803 2HD ARG 103 1HD ARG 103 -2.126 7.076 7.076 804 HE ARG 103 HE ARG 103 -3.054 9.067 9.067 805 1HH1 ARG 103 2HH1 ARG 103 0.392 9.519 9.519 806 2HH1 ARG 103 1HH1 ARG 103 0.318 11.229 11.229 807 1HH2 ARG 103 1HH2 ARG 103 -3.153 11.316 11.316 808 2HH2 ARG 103 2HH2 ARG 103 -1.694 12.250 12.250 809 H LYS 104 H LYS 104 1.884 7.150 7.150 810 HA LYS 104 HA LYS 104 3.897 5.919 5.919 811 1HB LYS 104 2HB LYS 104 3.231 8.302 8.302 812 2HB LYS 104 1HB LYS 104 3.904 8.681 8.681 813 1HG LYS 104 2HG LYS 104 5.740 7.250 7.250 814 2HG LYS 104 1HG LYS 104 5.250 8.842 8.842 815 1HD LYS 104 2HD LYS 104 6.285 8.343 8.343 816 2HD LYS 104 1HD LYS 104 7.321 8.806 8.806 817 1HE LYS 104 2HE LYS 104 6.536 10.936 10.936 818 2HE LYS 104 1HE LYS 104 4.919 10.467 10.467 819 1HZ LYS 104 1HZ LYS 104 5.835 10.135 10.135 820 2HZ LYS 104 3HZ LYS 104 7.330 10.722 10.722 821 3HZ LYS 104 2HZ LYS 104 5.976 11.735 11.735 822 H ASN 105 H ASN 105 3.204 6.530 6.530 823 HA ASN 105 HA ASN 105 5.981 6.201 6.201 824 1HB ASN 105 2HB ASN 105 3.426 6.946 6.946 825 2HB ASN 105 1HB ASN 105 4.693 6.219 6.219 826 1HD2 ASN 105 2HD2 ASN 105 4.853 10.070 10.070 827 2HD2 ASN 105 1HD2 ASN 105 3.467 9.060 9.060 828 H ILE 106 H ILE 106 2.923 4.412 4.412 829 HA ILE 106 HA ILE 106 3.835 2.296 2.296 830 HB ILE 106 HB ILE 106 1.441 2.736 2.736 831 1HG1 ILE 106 2HG1 ILE 106 0.787 0.394 0.394 832 2HG1 ILE 106 1HG1 ILE 106 2.358 -0.070 -0.070 833 1HG2 ILE 106 3HG2 ILE 106 1.765 3.080 3.080 834 2HG2 ILE 106 2HG2 ILE 106 1.984 1.339 1.339 835 3HG2 ILE 106 1HG2 ILE 106 0.446 1.983 1.983 836 1HD1 ILE 106 2HD1 ILE 106 2.430 1.444 1.444 837 2HD1 ILE 106 1HD1 ILE 106 1.701 -0.159 -0.159 838 3HD1 ILE 106 3HD1 ILE 106 3.350 0.028 0.028 839 H CYS 107 H CYS 107 3.637 2.529 2.529 840 HA CYS 107 HA CYS 107 4.791 0.035 0.035 841 1HB CYS 107 2HB CYS 107 5.506 1.155 1.155 842 2HB CYS 107 1HB CYS 107 3.785 1.227 1.227 843 HG CYS 107 HG CYS 107 5.506 3.586 3.586 844 H GLN 108 H GLN 108 6.098 3.104 3.104 845 HA GLN 108 HA GLN 108 8.846 2.507 2.507 846 1HB GLN 108 2HB GLN 108 8.360 4.789 4.789 847 2HB GLN 108 1HB GLN 108 7.324 4.666 4.666 848 1HG GLN 108 2HG GLN 108 9.103 5.730 5.730 849 2HG GLN 108 1HG GLN 108 9.584 4.062 4.062 850 1HE2 GLN 108 2HE2 GLN 108 12.226 4.075 4.075 851 2HE2 GLN 108 1HE2 GLN 108 11.065 3.083 3.083 852 H PHE 109 H PHE 109 6.623 2.171 2.171 853 HA PHE 109 HA PHE 109 8.603 1.518 1.518 854 1HB PHE 109 2HB PHE 109 6.407 2.436 2.436 855 2HB PHE 109 1HB PHE 109 5.620 1.000 1.000 856 HD1 PHE 109 HD1 PHE 109 8.212 1.989 1.989 857 HD2 PHE 109 HD2 PHE 109 5.117 -0.735 -0.735 858 HE1 PHE 109 HE1 PHE 109 8.433 0.896 0.896 859 HE2 PHE 109 HE2 PHE 109 5.333 -1.835 -1.835 860 HZ PHE 109 HZ PHE 109 6.992 -1.016 -1.016 861 H LEU 110 H LEU 110 6.342 -0.322 -0.322 862 HA LEU 110 HA LEU 110 6.877 -2.873 -2.873 863 1HB LEU 110 2HB LEU 110 5.836 -1.792 -1.792 864 2HB LEU 110 1HB LEU 110 6.281 -3.486 -3.486 865 HG LEU 110 HG LEU 110 4.613 -3.979 -3.979 866 1HD1 LEU 110 2HD1 LEU 110 5.054 -1.994 -1.994 867 2HD1 LEU 110 1HD1 LEU 110 4.074 -1.034 -1.034 868 3HD1 LEU 110 3HD1 LEU 110 3.343 -2.365 -2.365 869 1HD2 LEU 110 3HD2 LEU 110 3.758 -3.628 -3.628 870 2HD2 LEU 110 2HD2 LEU 110 2.558 -3.203 -3.203 871 3HD2 LEU 110 1HD2 LEU 110 3.449 -1.934 -1.934 872 H VAL 111 H VAL 111 8.662 -0.851 -0.851 873 HA VAL 111 HA VAL 111 10.464 -3.026 -3.026 874 HB VAL 111 HB VAL 111 10.543 -0.121 -0.121 875 1HG1 VAL 111 3HG1 VAL 111 12.535 -2.015 -2.015 876 2HG1 VAL 111 2HG1 VAL 111 11.760 -2.097 -2.097 877 3HG1 VAL 111 1HG1 VAL 111 12.396 -0.562 -0.562 878 1HG2 VAL 111 2HG2 VAL 111 8.548 -1.753 -1.753 879 2HG2 VAL 111 1HG2 VAL 111 9.211 -0.579 -0.579 880 3HG2 VAL 111 3HG2 VAL 111 9.712 -2.268 -2.268 881 H GLU 112 H GLU 112 10.338 -0.169 -0.169 882 HA GLU 112 HA GLU 112 13.122 0.027 0.027 883 1HB GLU 112 2HB GLU 112 10.656 1.096 1.096 884 2HB GLU 112 1HB GLU 112 12.232 1.292 1.292 885 1HG GLU 112 2HG GLU 112 12.229 2.067 2.067 886 2HG GLU 112 1HG GLU 112 11.073 2.984 2.984 887 H ILE 113 H ILE 113 10.440 -1.582 -1.582 888 HA ILE 113 HA ILE 113 12.241 -2.648 -2.648 889 HB ILE 113 HB ILE 113 10.337 -3.376 -3.376 890 1HG1 ILE 113 2HG1 ILE 113 8.740 -2.913 -2.913 891 2HG1 ILE 113 1HG1 ILE 113 9.127 -4.473 -4.473 892 1HG2 ILE 113 3HG2 ILE 113 10.738 -0.828 -0.828 893 2HG2 ILE 113 2HG2 ILE 113 9.199 -0.910 -0.910 894 3HG2 ILE 113 1HG2 ILE 113 9.288 -1.381 -1.381 895 1HD1 ILE 113 2HD1 ILE 113 7.775 -2.729 -2.729 896 2HD1 ILE 113 1HD1 ILE 113 6.835 -3.000 -3.000 897 3HD1 ILE 113 3HD1 ILE 113 7.384 -4.372 -4.372 898 H GLY 114 H GLY 114 10.816 -3.591 -3.591 899 1HA GLY 114 2HA GLY 114 11.410 -5.502 -5.502 900 2HA GLY 114 1HA GLY 114 12.039 -6.227 -6.227 901 H LEU 115 H LEU 115 8.892 -4.745 -4.745 902 HA LEU 115 HA LEU 115 7.616 -7.126 -7.126 903 1HB LEU 115 2HB LEU 115 7.052 -4.518 -4.518 904 2HB LEU 115 1HB LEU 115 6.003 -4.886 -4.886 905 HG LEU 115 HG LEU 115 4.791 -6.507 -6.507 906 1HD1 LEU 115 2HD1 LEU 115 7.033 -6.177 -6.177 907 2HD1 LEU 115 1HD1 LEU 115 5.436 -6.636 -6.636 908 3HD1 LEU 115 3HD1 LEU 115 6.266 -7.648 -7.648 909 1HD2 LEU 115 3HD2 LEU 115 4.614 -3.879 -3.879 910 2HD2 LEU 115 2HD2 LEU 115 3.588 -5.052 -5.052 911 3HD2 LEU 115 1HD2 LEU 115 5.010 -4.391 -4.391 912 H ALA 116 H ALA 116 6.857 -5.141 -5.141 913 HA ALA 116 HA ALA 116 5.853 -7.545 -7.545 914 1HB ALA 116 3HB ALA 116 4.510 -5.394 -5.394 915 2HB ALA 116 2HB ALA 116 5.641 -4.732 -4.732 916 3HB ALA 116 1HB ALA 116 4.653 -6.131 -6.131 917 H LYS 117 H LYS 117 6.221 -7.377 -7.377 918 HA LYS 117 HA LYS 117 9.129 -7.148 -7.148 919 1HB LYS 117 2HB LYS 117 7.025 -8.904 -8.904 920 2HB LYS 117 1HB LYS 117 8.384 -8.480 -8.480 921 1HG LYS 117 2HG LYS 117 9.194 -9.339 -9.339 922 2HG LYS 117 1HG LYS 117 8.296 -10.569 -10.569 923 1HD LYS 117 2HD LYS 117 10.551 -10.929 -10.929 924 2HD LYS 117 1HD LYS 117 9.866 -10.073 -10.073 925 1HE LYS 117 2HE LYS 117 11.077 -8.195 -8.195 926 2HE LYS 117 1HE LYS 117 11.046 -8.407 -8.407 927 1HZ LYS 117 3HZ LYS 117 12.606 -10.289 -10.289 928 2HZ LYS 117 2HZ LYS 117 13.239 -8.747 -8.747 929 3HZ LYS 117 1HZ LYS 117 12.870 -9.758 -9.758 930 H ASP 118 H ASP 118 10.001 -6.058 -6.058 931 HA ASP 118 HA ASP 118 8.762 -3.699 -3.699 932 1HB ASP 118 2HB ASP 118 10.516 -3.470 -3.470 933 2HB ASP 118 1HB ASP 118 11.191 -4.092 -4.092 934 H ASP 119 H ASP 119 8.586 -6.882 -6.882 935 HA ASP 119 HA ASP 119 7.322 -6.012 -6.012 936 1HB ASP 119 2HB ASP 119 8.715 -8.147 -8.147 937 2HB ASP 119 1HB ASP 119 7.279 -8.818 -8.818 938 H GLN 120 H GLN 120 6.344 -6.817 -6.817 939 HA GLN 120 HA GLN 120 3.575 -7.282 -7.282 940 1HB GLN 120 2HB GLN 120 5.006 -7.137 -7.137 941 2HB GLN 120 1HB GLN 120 3.276 -7.396 -7.396 942 1HG GLN 120 2HG GLN 120 3.768 -9.438 -9.438 943 2HG GLN 120 1HG GLN 120 5.478 -9.199 -9.199 944 1HE2 GLN 120 2HE2 GLN 120 3.009 -9.969 -9.969 945 2HE2 GLN 120 1HE2 GLN 120 2.505 -8.916 -8.916 946 H LEU 121 H LEU 121 5.544 -4.620 -4.620 947 HA LEU 121 HA LEU 121 4.053 -2.864 -2.864 948 1HB LEU 121 2HB LEU 121 5.874 -2.442 -2.442 949 2HB LEU 121 1HB LEU 121 5.085 -1.086 -1.086 950 HG LEU 121 HG LEU 121 6.819 -3.046 -3.046 951 1HD1 LEU 121 3HD1 LEU 121 7.573 -0.469 -0.469 952 2HD1 LEU 121 2HD1 LEU 121 8.549 -1.238 -1.238 953 3HD1 LEU 121 1HD1 LEU 121 8.251 -2.075 -2.075 954 1HD2 LEU 121 2HD2 LEU 121 5.267 -0.654 -0.654 955 2HD2 LEU 121 1HD2 LEU 121 5.837 -1.966 -1.966 956 3HD2 LEU 121 3HD2 LEU 121 6.922 -0.643 -0.643 957 H LYS 122 H LYS 122 1.856 -3.124 -3.124 958 HA LYS 122 HA LYS 122 0.830 -2.134 -2.134 959 1HB LYS 122 2HB LYS 122 -0.022 -4.303 -4.303 960 2HB LYS 122 1HB LYS 122 -1.327 -3.302 -3.302 961 1HG LYS 122 2HG LYS 122 0.737 -4.668 -4.668 962 2HG LYS 122 1HG LYS 122 -0.876 -5.301 -5.301 963 1HD LYS 122 2HD LYS 122 -1.898 -3.787 -3.787 964 2HD LYS 122 1HD LYS 122 -0.697 -2.533 -2.533 965 1HE LYS 122 2HE LYS 122 0.890 -3.635 -3.635 966 2HE LYS 122 1HE LYS 122 -0.223 -4.980 -4.980 967 1HZ LYS 122 2HZ LYS 122 -1.704 -2.839 -2.839 968 2HZ LYS 122 1HZ LYS 122 -0.164 -2.394 -2.394 969 3HZ LYS 122 3HZ LYS 122 -0.861 -3.842 -3.842 970 H VAL 123 H VAL 123 1.134 0.041 0.041 971 HA VAL 123 HA VAL 123 -0.505 0.881 0.881 972 HB VAL 123 HB VAL 123 1.788 1.733 1.733 973 1HG1 VAL 123 2HG1 VAL 123 1.324 1.940 1.940 974 2HG1 VAL 123 1HG1 VAL 123 1.240 3.623 3.623 975 3HG1 VAL 123 3HG1 VAL 123 2.684 2.668 2.668 976 1HG2 VAL 123 1HG2 VAL 123 -0.485 3.681 3.681 977 2HG2 VAL 123 3HG2 VAL 123 0.386 3.129 3.129 978 3HG2 VAL 123 2HG2 VAL 123 1.169 4.220 4.220 979 H HIS 124 H HIS 124 -2.405 1.849 1.849 980 HA HIS 124 HA HIS 124 -3.130 3.299 3.299 981 1HB HIS 124 2HB HIS 124 -5.123 1.337 1.337 982 2HB HIS 124 1HB HIS 124 -5.055 2.089 2.089 983 HD1 HIS 124 HD1 HIS 124 -4.236 0.616 0.616 984 HD2 HIS 124 HD2 HIS 124 -2.884 -0.612 -0.612 985 HE1 HIS 124 HE1 HIS 124 -2.990 -1.527 -1.527 986 HE2 HIS 124 HE2 HIS 124 -2.348 -2.337 -2.337 987 H GLY 125 H GLY 125 -3.147 5.188 5.188 988 1HA GLY 125 2HA GLY 125 -4.180 5.630 5.630 989 2HA GLY 125 1HA GLY 125 -4.250 6.821 6.821 990 H PHE 126 HN PHE 126 -6.157 7.129 7.129 991 HA PHE 126 HA PHE 126 -8.406 5.492 5.492 992 1HB PHE 126 2HB PHE 126 -9.843 6.431 6.431 993 2HB PHE 126 1HB PHE 126 -8.320 6.108 6.108 994 HD1 PHE 126 HD1 PHE 126 -6.623 8.280 8.280 995 HD2 PHE 126 HD2 PHE 126 -10.867 8.324 8.324 996 HE1 PHE 126 HE1 PHE 126 -6.540 10.621 10.621 997 HE2 PHE 126 HE2 PHE 126 -10.791 10.665 10.665 998 HZ PHE 126 HZ PHE 126 -8.627 11.817 11.817 Start of MODEL 8 1 1H MET 1 3H MET 1 17.530 -51.027 -51.027 2 2H MET 1 2H MET 1 15.970 -50.799 -50.799 3 3H MET 1 1H MET 1 16.748 -52.322 -52.322 4 HA MET 1 HA MET 1 18.331 -51.519 -51.519 5 1HB MET 1 2HB MET 1 15.947 -51.941 -51.941 6 2HB MET 1 1HB MET 1 15.735 -50.195 -50.195 7 1HG MET 1 2HG MET 1 17.027 -49.899 -49.899 8 2HG MET 1 1HG MET 1 18.066 -51.273 -51.273 9 1HE MET 1 1HE MET 1 14.885 -49.961 -49.961 10 2HE MET 1 3HE MET 1 16.233 -50.152 -50.152 11 3HE MET 1 2HE MET 1 14.775 -51.124 -51.124 12 H ARG 2 H ARG 2 16.150 -48.764 -48.764 13 HA ARG 2 HA ARG 2 18.212 -46.882 -46.882 14 1HB ARG 2 2HB ARG 2 15.815 -46.507 -46.507 15 2HB ARG 2 1HB ARG 2 15.477 -46.364 -46.364 16 1HG ARG 2 2HG ARG 2 15.842 -44.189 -44.189 17 2HG ARG 2 1HG ARG 2 17.547 -44.566 -44.566 18 1HD ARG 2 2HD ARG 2 16.356 -45.013 -45.013 19 2HD ARG 2 1HD ARG 2 15.572 -43.557 -43.557 20 HE ARG 2 HE ARG 2 18.415 -43.470 -43.470 21 1HH1 ARG 2 2HH1 ARG 2 15.790 -42.979 -42.979 22 2HH1 ARG 2 1HH1 ARG 2 16.678 -41.871 -41.871 23 1HH2 ARG 2 1HH2 ARG 2 19.584 -42.011 -42.011 24 2HH2 ARG 2 2HH2 ARG 2 18.833 -41.321 -41.321 25 H GLY 3 H GLY 3 19.283 -45.458 -45.458 26 1HA GLY 3 2HA GLY 3 19.881 -46.364 -46.364 27 2HA GLY 3 1HA GLY 3 20.371 -44.822 -44.822 28 H SER 4 H SER 4 19.312 -42.986 -42.986 29 HA SER 4 HA SER 4 17.096 -43.306 -43.306 30 1HB SER 4 2HB SER 4 17.859 -41.269 -41.269 31 2HB SER 4 1HB SER 4 19.186 -42.427 -42.427 32 HG SER 4 HG SER 4 20.251 -41.087 -41.087 33 H HIS 5 H HIS 5 15.818 -41.148 -41.148 34 HA HIS 5 HA HIS 5 15.612 -39.439 -39.439 35 1HB HIS 5 2HB HIS 5 14.346 -41.992 -41.992 36 2HB HIS 5 1HB HIS 5 13.105 -40.746 -40.746 37 HD1 HIS 5 HD1 HIS 5 14.333 -38.480 -38.480 38 HD2 HIS 5 HD2 HIS 5 14.672 -42.451 -42.451 39 HE1 HIS 5 HE1 HIS 5 14.802 -38.411 -38.411 40 HE2 HIS 5 HE2 HIS 5 15.091 -40.822 -40.822 41 H HIS 6 H HIS 6 13.631 -41.088 -41.088 42 HA HIS 6 HA HIS 6 12.226 -40.299 -40.299 43 1HB HIS 6 2HB HIS 6 14.448 -38.574 -38.574 44 2HB HIS 6 1HB HIS 6 13.035 -37.528 -37.528 45 HD1 HIS 6 HD1 HIS 6 11.682 -37.577 -37.577 46 HD2 HIS 6 HD2 HIS 6 14.849 -40.266 -40.266 47 HE1 HIS 6 HE1 HIS 6 11.915 -38.386 -38.386 48 HE2 HIS 6 HE2 HIS 6 13.893 -39.945 -39.945 49 H HIS 7 H HIS 7 10.197 -40.250 -40.250 50 HA HIS 7 HA HIS 7 9.338 -38.464 -38.464 51 1HB HIS 7 2HB HIS 7 8.324 -40.794 -40.794 52 2HB HIS 7 1HB HIS 7 7.101 -39.534 -39.534 53 HD1 HIS 7 HD1 HIS 7 6.246 -38.525 -38.525 54 HD2 HIS 7 HD2 HIS 7 8.582 -41.949 -41.949 55 HE1 HIS 7 HE1 HIS 7 5.867 -39.401 -39.401 56 HE2 HIS 7 HE2 HIS 7 7.346 -41.434 -41.434 57 H HIS 8 H HIS 8 9.929 -36.426 -36.426 58 HA HIS 8 HA HIS 8 7.754 -35.137 -35.137 59 1HB HIS 8 2HB HIS 8 10.048 -36.027 -36.027 60 2HB HIS 8 1HB HIS 8 9.427 -34.406 -34.406 61 HD1 HIS 8 HD1 HIS 8 9.142 -37.427 -37.427 62 HD2 HIS 8 HD2 HIS 8 6.260 -34.889 -34.889 63 HE1 HIS 8 HE1 HIS 8 6.997 -38.038 -38.038 64 HE2 HIS 8 HE2 HIS 8 5.288 -36.425 -36.425 65 H HIS 9 H HIS 9 9.398 -34.823 -34.823 66 HA HIS 9 HA HIS 9 10.671 -32.228 -32.228 67 1HB HIS 9 2HB HIS 9 11.843 -34.400 -34.400 68 2HB HIS 9 1HB HIS 9 11.287 -33.518 -33.518 69 HD1 HIS 9 HD1 HIS 9 14.277 -33.920 -33.920 70 HD2 HIS 9 HD2 HIS 9 12.032 -30.489 -30.489 71 HE1 HIS 9 HE1 HIS 9 15.919 -32.017 -32.017 72 HE2 HIS 9 HE2 HIS 9 14.525 -29.944 -29.944 73 H HIS 10 H HIS 10 7.810 -33.219 -33.219 74 HA HIS 10 HA HIS 10 6.122 -32.460 -32.460 75 1HB HIS 10 2HB HIS 10 7.416 -30.266 -30.266 76 2HB HIS 10 1HB HIS 10 7.295 -29.857 -29.857 77 HD1 HIS 10 HD1 HIS 10 5.027 -31.005 -31.005 78 HD2 HIS 10 HD2 HIS 10 4.887 -28.829 -28.829 79 HE1 HIS 10 HE1 HIS 10 2.695 -30.072 -30.072 80 HE2 HIS 10 HE2 HIS 10 2.663 -28.685 -28.685 81 H THR 11 H THR 11 7.463 -34.083 -34.083 82 HA THR 11 HA THR 11 8.840 -33.135 -33.135 83 HB THR 11 HB THR 11 7.793 -35.350 -35.350 84 HG1 THR 11 HG1 THR 11 7.145 -36.762 -36.762 85 1HG2 THR 11 3HG2 THR 11 10.142 -34.817 -34.817 86 2HG2 THR 11 2HG2 THR 11 9.486 -36.058 -36.058 87 3HG2 THR 11 1HG2 THR 11 9.691 -36.391 -36.391 88 H ASP 12 H ASP 12 8.194 -31.909 -31.909 89 HA ASP 12 HA ASP 12 5.395 -32.090 -32.090 90 1HB ASP 12 2HB ASP 12 5.879 -30.024 -30.024 91 2HB ASP 12 1HB ASP 12 6.945 -29.500 -29.500 92 HA PRO 13 HA PRO 13 8.560 -32.341 -32.341 93 1HB PRO 13 2HB PRO 13 8.311 -34.940 -34.940 94 2HB PRO 13 1HB PRO 13 9.415 -34.392 -34.392 95 1HG PRO 13 2HG PRO 13 6.681 -35.584 -35.584 96 2HG PRO 13 1HG PRO 13 8.143 -35.923 -35.923 97 1HD PRO 13 2HD PRO 13 6.145 -34.276 -34.276 98 2HD PRO 13 1HD PRO 13 7.841 -34.095 -34.095 99 H MET 14 H MET 14 5.268 -32.789 -32.789 100 HA MET 14 HA MET 14 4.455 -33.597 -33.597 101 1HB MET 14 2HB MET 14 2.791 -32.076 -32.076 102 2HB MET 14 1HB MET 14 2.226 -33.141 -33.141 103 1HG MET 14 2HG MET 14 3.985 -34.619 -34.619 104 2HG MET 14 1HG MET 14 2.835 -33.769 -33.769 105 1HE MET 14 2HE MET 14 0.348 -34.186 -34.186 106 2HE MET 14 1HE MET 14 -0.189 -35.852 -35.852 107 3HE MET 14 3HE MET 14 1.200 -35.498 -35.498 108 H SER 15 H SER 15 5.747 -30.706 -30.706 109 HA SER 15 HA SER 15 4.290 -29.046 -29.046 110 1HB SER 15 2HB SER 15 5.360 -28.540 -28.540 111 2HB SER 15 1HB SER 15 6.448 -27.707 -27.707 112 HG SER 15 HG SER 15 4.518 -26.760 -26.760 113 H ALA 16 H ALA 16 5.904 -31.049 -31.049 114 HA ALA 16 HA ALA 16 7.329 -29.623 -29.623 115 1HB ALA 16 2HB ALA 16 8.940 -30.509 -30.509 116 2HB ALA 16 1HB ALA 16 9.654 -30.612 -30.612 117 3HB ALA 16 3HB ALA 16 9.092 -29.059 -29.059 118 H ILE 17 H ILE 17 5.495 -31.760 -31.760 119 HA ILE 17 HA ILE 17 6.986 -34.169 -34.169 120 HB ILE 17 HB ILE 17 3.999 -33.804 -33.804 121 1HG1 ILE 17 2HG1 ILE 17 5.655 -34.727 -34.727 122 2HG1 ILE 17 1HG1 ILE 17 4.821 -33.180 -33.180 123 1HG2 ILE 17 3HG2 ILE 17 5.832 -36.181 -36.181 124 2HG2 ILE 17 2HG2 ILE 17 4.108 -36.290 -36.290 125 3HG2 ILE 17 1HG2 ILE 17 4.643 -35.777 -35.777 126 1HD1 ILE 17 3HD1 ILE 17 3.255 -35.686 -35.686 127 2HD1 ILE 17 2HD1 ILE 17 3.758 -35.191 -35.191 128 3HD1 ILE 17 1HD1 ILE 17 2.759 -34.118 -34.118 129 H GLN 18 H GLN 18 6.631 -35.311 -35.311 130 HA GLN 18 HA GLN 18 5.624 -33.702 -33.702 131 1HB GLN 18 2HB GLN 18 7.648 -34.402 -34.402 132 2HB GLN 18 1HB GLN 18 7.940 -33.194 -33.194 133 1HG GLN 18 2HG GLN 18 8.640 -35.139 -35.139 134 2HG GLN 18 1HG GLN 18 8.675 -36.099 -36.099 135 1HE2 GLN 18 2HE2 GLN 18 11.378 -34.132 -34.132 136 2HE2 GLN 18 1HE2 GLN 18 9.812 -34.714 -34.714 137 H ASN 19 H ASN 19 4.548 -34.859 -34.859 138 HA ASN 19 HA ASN 19 4.091 -37.656 -37.656 139 1HB ASN 19 2HB ASN 19 2.462 -35.740 -35.740 140 2HB ASN 19 1HB ASN 19 3.013 -36.366 -36.366 141 1HD2 ASN 19 2HD2 ASN 19 1.585 -39.619 -39.619 142 2HD2 ASN 19 1HD2 ASN 19 3.045 -38.885 -38.885 143 H LEU 20 H LEU 20 6.534 -37.948 -37.948 144 HA LEU 20 HA LEU 20 8.150 -38.910 -38.910 145 1HB LEU 20 2HB LEU 20 6.086 -40.375 -40.375 146 2HB LEU 20 1HB LEU 20 6.053 -39.538 -39.538 147 HG LEU 20 HG LEU 20 8.371 -40.329 -40.329 148 1HD1 LEU 20 2HD1 LEU 20 7.918 -41.792 -41.792 149 2HD1 LEU 20 1HD1 LEU 20 9.148 -42.255 -42.255 150 3HD1 LEU 20 3HD1 LEU 20 9.220 -40.672 -40.672 151 1HD2 LEU 20 1HD2 LEU 20 6.183 -42.332 -42.332 152 2HD2 LEU 20 3HD2 LEU 20 6.643 -41.563 -41.563 153 3HD2 LEU 20 2HD2 LEU 20 7.708 -42.758 -42.758 154 H HIS 21 H HIS 21 9.022 -36.780 -36.780 155 HA HIS 21 HA HIS 21 9.211 -36.189 -36.189 156 1HB HIS 21 2HB HIS 21 7.928 -34.308 -34.308 157 2HB HIS 21 1HB HIS 21 8.796 -33.683 -33.683 158 HD1 HIS 21 HD1 HIS 21 5.532 -34.005 -34.005 159 HD2 HIS 21 HD2 HIS 21 7.687 -35.598 -35.598 160 HE1 HIS 21 HE1 HIS 21 3.828 -34.533 -34.533 161 HE2 HIS 21 HE2 HIS 21 5.147 -35.559 -35.559 162 H SER 22 H SER 22 10.757 -34.242 -34.242 163 HA SER 22 HA SER 22 13.020 -34.677 -34.677 164 1HB SER 22 2HB SER 22 14.448 -34.076 -34.076 165 2HB SER 22 1HB SER 22 13.164 -34.988 -34.988 166 HG SER 22 HG SER 22 13.884 -32.384 -32.384 167 H PHE 23 H PHE 23 14.543 -32.538 -32.538 168 HA PHE 23 HA PHE 23 13.185 -30.589 -30.589 169 1HB PHE 23 2HB PHE 23 15.838 -31.317 -31.317 170 2HB PHE 23 1HB PHE 23 15.727 -29.685 -29.685 171 HD1 PHE 23 HD2 PHE 23 14.259 -31.430 -31.430 172 HD2 PHE 23 HD1 PHE 23 16.508 -28.131 -28.131 173 HE1 PHE 23 HE2 PHE 23 14.415 -30.524 -30.524 174 HE2 PHE 23 HE1 PHE 23 16.669 -27.219 -27.219 175 HZ PHE 23 HZ PHE 23 15.622 -28.417 -28.417 176 H ASP 24 H ASP 24 12.722 -28.432 -28.432 177 HA ASP 24 HA ASP 24 12.825 -27.681 -27.681 178 1HB ASP 24 2HB ASP 24 10.426 -27.571 -27.571 179 2HB ASP 24 1HB ASP 24 10.530 -26.633 -26.633 180 HA PRO 25 HA PRO 25 14.540 -24.401 -24.401 181 1HB PRO 25 2HB PRO 25 16.473 -24.202 -24.202 182 2HB PRO 25 1HB PRO 25 16.768 -24.273 -24.273 183 1HG PRO 25 2HG PRO 25 17.293 -26.366 -26.366 184 2HG PRO 25 1HG PRO 25 16.645 -26.584 -26.584 185 1HD PRO 25 2HD PRO 25 15.237 -26.754 -26.754 186 2HD PRO 25 1HD PRO 25 15.041 -27.761 -27.761 187 H PHE 26 H PHE 26 13.914 -24.539 -24.539 188 HA PHE 26 HA PHE 26 13.037 -21.732 -21.732 189 1HB PHE 26 2HB PHE 26 14.111 -22.826 -22.826 190 2HB PHE 26 1HB PHE 26 14.088 -21.167 -21.167 191 HD1 PHE 26 HD2 PHE 26 15.835 -24.391 -24.391 192 HD2 PHE 26 HD1 PHE 26 15.867 -20.303 -20.303 193 HE1 PHE 26 HE2 PHE 26 18.184 -24.615 -24.615 194 HE2 PHE 26 HE1 PHE 26 18.217 -20.521 -20.521 195 HZ PHE 26 HZ PHE 26 19.378 -22.678 -22.678 196 H ALA 27 H ALA 27 11.201 -23.569 -23.569 197 HA ALA 27 HA ALA 27 9.493 -23.453 -23.453 198 1HB ALA 27 3HB ALA 27 10.842 -25.830 -25.830 199 2HB ALA 27 2HB ALA 27 9.158 -26.062 -26.062 200 3HB ALA 27 1HB ALA 27 9.556 -25.609 -25.609 201 H ASP 28 H ASP 28 7.947 -22.219 -22.219 202 HA ASP 28 HA ASP 28 6.889 -22.984 -22.984 203 1HB ASP 28 2HB ASP 28 6.982 -20.421 -20.421 204 2HB ASP 28 1HB ASP 28 5.667 -20.669 -20.669 205 H ALA 29 H ALA 29 5.932 -24.831 -24.831 206 HA ALA 29 HA ALA 29 3.174 -24.121 -24.121 207 1HB ALA 29 2HB ALA 29 4.739 -24.148 -24.148 208 2HB ALA 29 1HB ALA 29 4.479 -25.888 -25.888 209 3HB ALA 29 3HB ALA 29 3.101 -24.800 -24.800 210 H SER 30 H SER 30 4.057 -25.432 -25.432 211 HA SER 30 HA SER 30 3.992 -28.279 -28.279 212 1HB SER 30 2HB SER 30 4.121 -26.406 -26.406 213 2HB SER 30 1HB SER 30 3.620 -28.072 -28.072 214 HG SER 30 HG SER 30 5.629 -28.623 -28.623 215 H LYS 31 H LYS 31 2.012 -28.535 -28.535 216 HA LYS 31 HA LYS 31 -0.489 -27.764 -27.764 217 1HB LYS 31 2HB LYS 31 0.367 -29.346 -29.346 218 2HB LYS 31 1HB LYS 31 -1.285 -29.528 -29.528 219 1HG LYS 31 2HG LYS 31 -0.398 -26.749 -26.749 220 2HG LYS 31 1HG LYS 31 -0.442 -27.652 -27.652 221 1HD LYS 31 2HD LYS 31 -2.783 -28.026 -28.026 222 2HD LYS 31 1HD LYS 31 -2.578 -26.391 -26.391 223 1HE LYS 31 2HE LYS 31 -2.348 -28.745 -28.745 224 2HE LYS 31 1HE LYS 31 -3.939 -28.144 -28.144 225 1HZ LYS 31 2HZ LYS 31 -2.583 -25.898 -25.898 226 2HZ LYS 31 1HZ LYS 31 -2.040 -27.038 -27.038 227 3HZ LYS 31 3HZ LYS 31 -3.695 -26.728 -26.728 228 H GLY 32 H GLY 32 -1.993 -29.016 -29.016 229 1HA GLY 32 2HA GLY 32 -2.429 -31.577 -31.577 230 2HA GLY 32 1HA GLY 32 -0.908 -31.437 -31.437 231 H ASP 33 H ASP 33 -1.501 -31.715 -31.715 232 HA ASP 33 HA ASP 33 -3.876 -30.423 -30.423 233 1HB ASP 33 2HB ASP 33 -1.799 -32.089 -32.089 234 2HB ASP 33 1HB ASP 33 -3.374 -31.614 -31.614 235 H ASP 34 H ASP 34 -2.628 -28.339 -28.339 236 HA ASP 34 HA ASP 34 -1.790 -27.045 -27.045 237 1HB ASP 34 2HB ASP 34 0.327 -28.082 -28.082 238 2HB ASP 34 1HB ASP 34 0.170 -27.188 -27.188 239 H LEU 35 H LEU 35 -2.997 -25.273 -25.273 240 HA LEU 35 HA LEU 35 -4.076 -24.162 -24.162 241 1HB LEU 35 2HB LEU 35 -3.858 -23.265 -23.265 242 2HB LEU 35 1HB LEU 35 -4.400 -22.124 -22.124 243 HG LEU 35 HG LEU 35 -5.717 -24.767 -24.767 244 1HD1 LEU 35 1HD1 LEU 35 -6.139 -21.990 -21.990 245 2HD1 LEU 35 3HD1 LEU 35 -7.572 -22.951 -22.951 246 3HD1 LEU 35 2HD1 LEU 35 -6.404 -23.524 -23.524 247 1HD2 LEU 35 3HD2 LEU 35 -6.267 -22.637 -22.637 248 2HD2 LEU 35 2HD2 LEU 35 -6.167 -24.384 -24.384 249 3HD2 LEU 35 1HD2 LEU 35 -7.555 -23.678 -23.678 250 H LEU 36 H LEU 36 -3.749 -21.848 -21.848 251 HA LEU 36 HA LEU 36 -1.101 -21.469 -21.469 252 1HB LEU 36 2HB LEU 36 -3.593 -19.832 -19.832 253 2HB LEU 36 1HB LEU 36 -2.071 -19.046 -19.046 254 HG LEU 36 HG LEU 36 -2.684 -21.569 -21.569 255 1HD1 LEU 36 3HD1 LEU 36 -4.150 -18.982 -18.982 256 2HD1 LEU 36 2HD1 LEU 36 -3.910 -20.127 -20.127 257 3HD1 LEU 36 1HD1 LEU 36 -4.802 -20.616 -20.616 258 1HD2 LEU 36 2HD2 LEU 36 -1.449 -18.935 -18.935 259 2HD2 LEU 36 1HD2 LEU 36 -0.580 -20.410 -20.410 260 3HD2 LEU 36 3HD2 LEU 36 -1.577 -20.359 -20.359 261 HA PRO 37 HA PRO 37 1.007 -19.548 -19.548 262 1HB PRO 37 2HB PRO 37 2.044 -17.621 -17.621 263 2HB PRO 37 1HB PRO 37 2.927 -18.642 -18.642 264 1HG PRO 37 2HG PRO 37 2.840 -19.258 -19.258 265 2HG PRO 37 1HG PRO 37 2.758 -20.522 -20.522 266 1HD PRO 37 2HD PRO 37 0.574 -19.369 -19.369 267 2HD PRO 37 1HD PRO 37 0.819 -21.041 -21.041 268 H ALA 38 H ALA 38 -0.106 -18.348 -18.348 269 HA ALA 38 HA ALA 38 -1.830 -16.215 -16.215 270 1HB ALA 38 2HB ALA 38 -0.832 -17.032 -17.032 271 2HB ALA 38 1HB ALA 38 -2.125 -15.873 -15.873 272 3HB ALA 38 3HB ALA 38 -2.325 -17.562 -17.562 273 H GLY 39 H GLY 39 -1.441 -14.092 -14.092 274 1HA GLY 39 2HA GLY 39 1.289 -13.165 -13.165 275 2HA GLY 39 1HA GLY 39 0.104 -12.359 -12.359 276 H THR 40 H THR 40 -0.158 -13.527 -13.527 277 HA THR 40 HA THR 40 -0.886 -10.786 -10.786 278 HB THR 40 HB THR 40 -1.836 -12.110 -12.110 279 HG1 THR 40 HG1 THR 40 -1.872 -14.184 -14.184 280 1HG2 THR 40 1HG2 THR 40 -3.236 -10.902 -10.902 281 2HG2 THR 40 3HG2 THR 40 -3.225 -12.326 -12.326 282 3HG2 THR 40 2HG2 THR 40 -3.973 -12.406 -12.406 283 H GLU 41 H GLU 41 1.045 -13.600 -13.600 284 HA GLU 41 HA GLU 41 2.780 -13.894 -13.894 285 1HB GLU 41 2HB GLU 41 3.195 -11.414 -11.414 286 2HB GLU 41 1HB GLU 41 3.887 -11.319 -11.319 287 1HG GLU 41 2HG GLU 41 5.609 -12.571 -12.571 288 2HG GLU 41 1HG GLU 41 4.547 -13.833 -13.833 289 H ASP 42 H ASP 42 0.149 -12.890 -12.890 290 HA ASP 42 HA ASP 42 -0.771 -12.114 -12.114 291 1HB ASP 42 2HB ASP 42 0.685 -14.243 -14.243 292 2HB ASP 42 1HB ASP 42 1.648 -13.080 -13.080 293 H TYR 43 H TYR 43 -0.033 -9.931 -9.931 294 HA TYR 43 HA TYR 43 2.093 -8.510 -8.510 295 1HB TYR 43 2HB TYR 43 -0.386 -7.414 -7.414 296 2HB TYR 43 1HB TYR 43 1.096 -6.522 -6.522 297 HD1 TYR 43 HD2 TYR 43 2.926 -8.947 -8.947 298 HD2 TYR 43 HD1 TYR 43 -0.339 -6.976 -6.976 299 HE1 TYR 43 HE2 TYR 43 3.803 -9.606 -9.606 300 HE2 TYR 43 HE1 TYR 43 0.531 -7.637 -7.637 301 HH TYR 43 HH TYR 43 2.753 -9.990 -9.990 302 H ILE 44 H ILE 44 1.539 -6.319 -6.319 303 HA ILE 44 HA ILE 44 -0.340 -6.921 -6.921 304 HB ILE 44 HB ILE 44 2.146 -5.206 -5.206 305 1HG1 ILE 44 2HG1 ILE 44 2.859 -7.456 -7.456 306 2HG1 ILE 44 1HG1 ILE 44 2.834 -6.973 -6.973 307 1HG2 ILE 44 3HG2 ILE 44 -0.018 -5.736 -5.736 308 2HG2 ILE 44 2HG2 ILE 44 1.614 -5.307 -5.307 309 3HG2 ILE 44 1HG2 ILE 44 0.686 -4.196 -4.196 310 1HD1 ILE 44 3HD1 ILE 44 0.510 -8.016 -8.016 311 2HD1 ILE 44 2HD1 ILE 44 0.935 -8.766 -8.766 312 3HD1 ILE 44 1HD1 ILE 44 1.896 -9.102 -9.102 313 H HIS 45 H HIS 45 -2.165 -5.937 -5.937 314 HA HIS 45 HA HIS 45 -2.236 -3.424 -3.424 315 1HB HIS 45 2HB HIS 45 -4.067 -5.494 -5.494 316 2HB HIS 45 1HB HIS 45 -4.737 -3.987 -3.987 317 HD1 HIS 45 HD1 HIS 45 -3.586 -5.588 -5.588 318 HD2 HIS 45 HD2 HIS 45 -5.766 -2.300 -2.300 319 HE1 HIS 45 HE1 HIS 45 -4.630 -4.614 -4.614 320 HE2 HIS 45 HE2 HIS 45 -6.025 -2.684 -2.684 321 H ILE 46 H ILE 46 -2.332 -1.428 -1.428 322 HA ILE 46 HA ILE 46 -2.245 -1.018 -1.018 323 HB ILE 46 HB ILE 46 -1.802 0.957 0.957 324 1HG1 ILE 46 2HG1 ILE 46 -0.128 -0.886 -0.886 325 2HG1 ILE 46 1HG1 ILE 46 0.552 0.712 0.712 326 1HG2 ILE 46 1HG2 ILE 46 -1.522 1.214 1.214 327 2HG2 ILE 46 3HG2 ILE 46 -0.745 2.316 2.316 328 3HG2 ILE 46 2HG2 ILE 46 -2.504 2.193 2.193 329 1HD1 ILE 46 1HD1 ILE 46 0.086 0.103 0.103 330 2HD1 ILE 46 3HD1 ILE 46 0.130 -1.546 -1.546 331 3HD1 ILE 46 2HD1 ILE 46 1.527 -0.487 -0.487 332 H ARG 47 H ARG 47 -3.536 1.561 1.561 333 HA ARG 47 HA ARG 47 -5.702 2.246 2.246 334 1HB ARG 47 2HB ARG 47 -6.400 -0.183 -0.183 335 2HB ARG 47 1HB ARG 47 -6.755 0.407 0.407 336 1HG ARG 47 2HG ARG 47 -8.762 0.389 0.389 337 2HG ARG 47 1HG ARG 47 -8.307 2.052 2.052 338 1HD ARG 47 2HD ARG 47 -7.544 2.458 2.458 339 2HD ARG 47 1HD ARG 47 -7.465 0.740 0.740 340 HE ARG 47 HE ARG 47 -9.746 2.452 2.452 341 1HH1 ARG 47 2HH1 ARG 47 -8.732 -0.843 -0.843 342 2HH1 ARG 47 1HH1 ARG 47 -10.216 -1.526 -1.526 343 1HH2 ARG 47 1HH2 ARG 47 -11.698 1.555 1.555 344 2HH2 ARG 47 2HH2 ARG 47 -11.900 -0.166 -0.166 345 H ILE 48 H ILE 48 -6.443 4.074 4.074 346 HA ILE 48 HA ILE 48 -5.904 4.832 4.832 347 HB ILE 48 HB ILE 48 -5.504 6.191 6.191 348 1HG1 ILE 48 2HG1 ILE 48 -4.993 6.952 6.952 349 2HG1 ILE 48 1HG1 ILE 48 -3.862 6.207 6.207 350 1HG2 ILE 48 1HG2 ILE 48 -7.761 7.098 7.098 351 2HG2 ILE 48 3HG2 ILE 48 -7.293 7.719 7.719 352 3HG2 ILE 48 2HG2 ILE 48 -6.520 8.345 8.345 353 1HD1 ILE 48 2HD1 ILE 48 -4.828 8.640 8.640 354 2HD1 ILE 48 1HD1 ILE 48 -4.261 8.945 8.945 355 3HD1 ILE 48 3HD1 ILE 48 -3.179 8.200 8.200 356 H GLN 49 H GLN 49 -7.541 6.417 6.417 357 HA GLN 49 HA GLN 49 -10.175 6.338 6.338 358 1HB GLN 49 2HB GLN 49 -11.305 5.153 5.153 359 2HB GLN 49 1HB GLN 49 -10.000 4.129 4.129 360 1HG GLN 49 2HG GLN 49 -8.673 5.181 5.181 361 2HG GLN 49 1HG GLN 49 -10.278 5.558 5.558 362 1HE2 GLN 49 2HE2 GLN 49 -11.171 2.182 2.182 363 2HE2 GLN 49 1HE2 GLN 49 -11.796 3.733 3.733 364 H GLN 50 H GLN 50 -10.311 8.500 8.500 365 HA GLN 50 HA GLN 50 -9.827 9.883 9.883 366 1HB GLN 50 2HB GLN 50 -9.041 10.549 10.549 367 2HB GLN 50 1HB GLN 50 -10.556 11.437 11.437 368 1HG GLN 50 2HG GLN 50 -9.807 12.753 12.753 369 2HG GLN 50 1HG GLN 50 -8.479 11.654 11.654 370 1HE2 GLN 50 2HE2 GLN 50 -6.445 13.967 13.967 371 2HE2 GLN 50 1HE2 GLN 50 -6.927 13.249 13.249 372 H ARG 51 H ARG 51 -11.664 9.438 9.438 373 HA ARG 51 HA ARG 51 -14.287 9.395 9.395 374 1HB ARG 51 2HB ARG 51 -12.932 9.515 9.515 375 2HB ARG 51 1HB ARG 51 -14.384 10.505 10.505 376 1HG ARG 51 2HG ARG 51 -15.461 8.622 8.622 377 2HG ARG 51 1HG ARG 51 -15.258 8.208 8.208 378 1HD ARG 51 2HD ARG 51 -13.731 6.620 6.620 379 2HD ARG 51 1HD ARG 51 -12.939 7.591 7.591 380 HE ARG 51 HE ARG 51 -15.302 6.816 6.816 381 1HH1 ARG 51 2HH1 ARG 51 -12.589 5.153 5.153 382 2HH1 ARG 51 1HH1 ARG 51 -12.775 3.740 3.740 383 1HH2 ARG 51 1HH2 ARG 51 -15.547 4.960 4.960 384 2HH2 ARG 51 2HH2 ARG 51 -14.454 3.630 3.630 385 H ASN 52 H ASN 52 -12.589 12.126 12.126 386 HA ASN 52 HA ASN 52 -14.591 13.943 13.943 387 1HB ASN 52 2HB ASN 52 -12.554 14.812 14.812 388 2HB ASN 52 1HB ASN 52 -14.172 15.440 15.440 389 1HD2 ASN 52 2HD2 ASN 52 -13.667 13.054 13.054 390 2HD2 ASN 52 1HD2 ASN 52 -12.506 14.102 14.102 391 H GLY 53 H GLY 53 -12.715 16.233 16.233 392 1HA GLY 53 2HA GLY 53 -11.305 15.906 15.906 393 2HA GLY 53 1HA GLY 53 -11.572 17.419 17.419 394 H ARG 54 H ARG 54 -10.232 14.452 14.452 395 HA ARG 54 HA ARG 54 -7.531 14.951 14.951 396 1HB ARG 54 2HB ARG 54 -7.053 15.868 15.868 397 2HB ARG 54 1HB ARG 54 -7.678 17.008 17.008 398 1HG ARG 54 2HG ARG 54 -9.991 16.370 16.370 399 2HG ARG 54 1HG ARG 54 -9.013 15.843 15.843 400 1HD ARG 54 2HD ARG 54 -9.117 17.968 17.968 401 2HD ARG 54 1HD ARG 54 -7.946 18.301 18.301 402 HE ARG 54 HE ARG 54 -9.584 19.384 19.384 403 1HH1 ARG 54 2HH1 ARG 54 -11.073 17.476 17.476 404 2HH1 ARG 54 1HH1 ARG 54 -12.652 18.136 18.136 405 1HH2 ARG 54 1HH2 ARG 54 -11.660 20.257 20.257 406 2HH2 ARG 54 2HH2 ARG 54 -12.986 19.715 19.715 407 H LYS 55 H LYS 55 -10.131 13.728 13.728 408 HA LYS 55 HA LYS 55 -8.613 12.028 12.028 409 1HB LYS 55 2HB LYS 55 -11.422 12.498 12.498 410 2HB LYS 55 1HB LYS 55 -11.091 10.792 10.792 411 1HG LYS 55 2HG LYS 55 -11.758 12.018 12.018 412 2HG LYS 55 1HG LYS 55 -10.181 11.238 11.238 413 1HD LYS 55 2HD LYS 55 -9.977 13.947 13.947 414 2HD LYS 55 1HD LYS 55 -10.767 13.893 13.893 415 1HE LYS 55 2HE LYS 55 -8.913 12.965 12.965 416 2HE LYS 55 1HE LYS 55 -8.246 12.356 12.356 417 1HZ LYS 55 3HZ LYS 55 -8.104 14.890 14.890 418 2HZ LYS 55 2HZ LYS 55 -8.111 15.055 15.055 419 3HZ LYS 55 1HZ LYS 55 -6.902 14.144 14.144 420 H THR 56 H THR 56 -7.148 11.376 11.376 421 HA THR 56 HA THR 56 -8.171 9.265 9.265 422 HB THR 56 HB THR 56 -5.263 9.804 9.804 423 HG1 THR 56 HG1 THR 56 -5.364 11.810 11.810 424 1HG2 THR 56 3HG2 THR 56 -7.254 9.076 9.076 425 2HG2 THR 56 2HG2 THR 56 -5.988 10.180 10.180 426 3HG2 THR 56 1HG2 THR 56 -5.559 8.616 8.616 427 H LEU 57 H LEU 57 -7.423 7.119 7.119 428 HA LEU 57 HA LEU 57 -5.820 6.265 6.265 429 1HB LEU 57 2HB LEU 57 -8.691 5.853 5.853 430 2HB LEU 57 1HB LEU 57 -7.818 4.346 4.346 431 HG LEU 57 HG LEU 57 -6.750 5.382 5.382 432 1HD1 LEU 57 1HD1 LEU 57 -8.466 7.590 7.590 433 2HD1 LEU 57 3HD1 LEU 57 -8.584 7.198 7.198 434 3HD1 LEU 57 2HD1 LEU 57 -7.020 7.602 7.602 435 1HD2 LEU 57 2HD2 LEU 57 -9.584 4.580 4.580 436 2HD2 LEU 57 1HD2 LEU 57 -8.292 3.838 3.838 437 3HD2 LEU 57 3HD2 LEU 57 -9.109 5.279 5.279 438 H THR 58 H THR 58 -4.236 5.740 5.740 439 HA THR 58 HA THR 58 -4.705 4.116 4.116 440 HB THR 58 HB THR 58 -2.098 4.187 4.187 441 HG1 THR 58 HG1 THR 58 -3.320 6.220 6.220 442 1HG2 THR 58 1HG2 THR 58 -2.267 2.792 2.792 443 2HG2 THR 58 3HG2 THR 58 -2.634 4.257 4.257 444 3HG2 THR 58 2HG2 THR 58 -1.075 4.088 4.088 445 H THR 59 H THR 59 -5.177 2.018 2.018 446 HA THR 59 HA THR 59 -4.738 0.329 0.329 447 HB THR 59 HB THR 59 -6.180 -1.212 -1.212 448 HG1 THR 59 HG1 THR 59 -7.145 1.442 1.442 449 1HG2 THR 59 3HG2 THR 59 -6.617 0.001 0.001 450 2HG2 THR 59 2HG2 THR 59 -8.000 0.439 0.439 451 3HG2 THR 59 1HG2 THR 59 -7.581 -1.259 -1.259 452 H VAL 60 H VAL 60 -4.213 -2.001 -2.001 453 HA VAL 60 HA VAL 60 -2.410 -2.316 -2.316 454 HB VAL 60 HB VAL 60 -1.669 -3.083 -3.083 455 1HG1 VAL 60 2HG1 VAL 60 -0.825 -4.585 -4.585 456 2HG1 VAL 60 1HG1 VAL 60 0.009 -3.196 -3.196 457 3HG1 VAL 60 3HG1 VAL 60 0.446 -3.773 -3.773 458 1HG2 VAL 60 3HG2 VAL 60 -1.004 -0.732 -0.732 459 2HG2 VAL 60 2HG2 VAL 60 -1.332 -0.813 -0.813 460 3HG2 VAL 60 1HG2 VAL 60 0.220 -1.364 -1.364 461 H GLN 61 H GLN 61 -3.122 -4.009 -4.009 462 HA GLN 61 HA GLN 61 -4.205 -6.308 -6.308 463 1HB GLN 61 2HB GLN 61 -4.991 -6.340 -6.340 464 2HB GLN 61 1HB GLN 61 -5.999 -6.345 -6.345 465 1HG GLN 61 2HG GLN 61 -5.704 -3.849 -3.849 466 2HG GLN 61 1HG GLN 61 -4.957 -3.968 -3.968 467 1HE2 GLN 61 2HE2 GLN 61 -8.264 -5.429 -5.429 468 2HE2 GLN 61 1HE2 GLN 61 -6.738 -6.165 -6.165 469 H GLY 62 H GLY 62 -3.494 -8.338 -8.338 470 1HA GLY 62 2HA GLY 62 -2.432 -9.855 -9.855 471 2HA GLY 62 1HA GLY 62 -1.379 -8.520 -8.520 472 H ILE 63 H ILE 63 -1.034 -7.673 -7.673 473 HA ILE 63 HA ILE 63 1.303 -9.092 -9.092 474 HB ILE 63 HB ILE 63 -0.396 -7.230 -7.230 475 1HG1 ILE 63 2HG1 ILE 63 0.631 -5.890 -5.890 476 2HG1 ILE 63 1HG1 ILE 63 1.867 -5.893 -5.893 477 1HG2 ILE 63 3HG2 ILE 63 1.808 -8.925 -8.925 478 2HG2 ILE 63 2HG2 ILE 63 2.034 -7.218 -7.218 479 3HG2 ILE 63 1HG2 ILE 63 0.595 -8.063 -8.063 480 1HD1 ILE 63 2HD1 ILE 63 2.877 -7.860 -7.860 481 2HD1 ILE 63 1HD1 ILE 63 1.837 -7.321 -7.321 482 3HD1 ILE 63 3HD1 ILE 63 3.053 -6.232 -6.232 483 H ALA 64 H ALA 64 1.800 -10.600 -10.600 484 HA ALA 64 HA ALA 64 -0.305 -12.468 -12.468 485 1HB ALA 64 1HB ALA 64 2.215 -12.897 -12.897 486 2HB ALA 64 3HB ALA 64 2.432 -12.765 -12.765 487 3HB ALA 64 2HB ALA 64 1.344 -13.985 -13.985 488 H ASP 65 H ASP 65 -0.975 -13.134 -13.134 489 HA ASP 65 HA ASP 65 -1.102 -11.049 -11.049 490 1HB ASP 65 2HB ASP 65 -2.454 -12.638 -12.638 491 2HB ASP 65 1HB ASP 65 -2.996 -12.556 -12.556 492 H ASP 66 H ASP 66 1.245 -13.332 -13.332 493 HA ASP 66 HA ASP 66 2.054 -13.682 -13.682 494 1HB ASP 66 2HB ASP 66 2.078 -15.609 -15.609 495 2HB ASP 66 1HB ASP 66 3.362 -14.790 -14.790 496 H TYR 67 H TYR 67 2.231 -11.075 -11.075 497 HA TYR 67 HA TYR 67 5.098 -10.657 -10.657 498 1HB TYR 67 2HB TYR 67 2.682 -8.974 -8.974 499 2HB TYR 67 1HB TYR 67 4.287 -8.258 -8.258 500 HD1 TYR 67 HD1 TYR 67 4.089 -11.666 -11.666 501 HD2 TYR 67 HD2 TYR 67 3.916 -7.570 -7.570 502 HE1 TYR 67 HE1 TYR 67 4.473 -12.297 -12.297 503 HE2 TYR 67 HE2 TYR 67 4.296 -8.181 -8.181 504 HH TYR 67 HH TYR 67 5.560 -10.558 -10.558 505 H ASP 68 H ASP 68 3.656 -11.184 -11.184 506 HA ASP 68 HA ASP 68 4.102 -10.627 -10.627 507 1HB ASP 68 2HB ASP 68 6.224 -9.562 -9.562 508 2HB ASP 68 1HB ASP 68 5.404 -8.048 -8.048 509 H LYS 69 H LYS 69 2.466 -8.615 -8.615 510 HA LYS 69 HA LYS 69 0.702 -7.206 -7.206 511 1HB LYS 69 2HB LYS 69 -0.266 -8.947 -8.947 512 2HB LYS 69 1HB LYS 69 0.609 -8.357 -8.357 513 1HG LYS 69 2HG LYS 69 -0.672 -6.306 -6.306 514 2HG LYS 69 1HG LYS 69 -1.502 -6.814 -6.814 515 1HD LYS 69 2HD LYS 69 -2.065 -8.927 -8.927 516 2HD LYS 69 1HD LYS 69 -1.842 -7.748 -7.748 517 1HE LYS 69 2HE LYS 69 -3.782 -6.740 -6.740 518 2HE LYS 69 1HE LYS 69 -3.456 -6.713 -6.713 519 1HZ LYS 69 2HZ LYS 69 -4.276 -9.212 -9.212 520 2HZ LYS 69 1HZ LYS 69 -5.433 -8.074 -8.074 521 3HZ LYS 69 3HZ LYS 69 -4.418 -8.780 -8.780 522 H LYS 70 H LYS 70 1.890 -6.978 -6.978 523 HA LYS 70 HA LYS 70 1.662 -4.234 -4.234 524 1HB LYS 70 2HB LYS 70 3.338 -6.279 -6.279 525 2HB LYS 70 1HB LYS 70 3.575 -4.573 -4.573 526 1HG LYS 70 2HG LYS 70 0.856 -4.833 -4.833 527 2HG LYS 70 1HG LYS 70 1.429 -6.375 -6.375 528 1HD LYS 70 2HD LYS 70 2.632 -3.796 -3.796 529 2HD LYS 70 1HD LYS 70 1.116 -4.381 -4.381 530 1HE LYS 70 2HE LYS 70 3.114 -6.474 -6.474 531 2HE LYS 70 1HE LYS 70 3.687 -5.083 -5.083 532 1HZ LYS 70 2HZ LYS 70 1.661 -5.213 -5.213 533 2HZ LYS 70 1HZ LYS 70 1.168 -6.582 -6.582 534 3HZ LYS 70 3HZ LYS 70 2.563 -6.640 -6.640 535 H LYS 71 H LYS 71 4.700 -6.022 -6.022 536 HA LYS 71 HA LYS 71 6.349 -3.840 -3.840 537 1HB LYS 71 2HB LYS 71 6.502 -6.666 -6.666 538 2HB LYS 71 1HB LYS 71 7.175 -5.888 -5.888 539 1HG LYS 71 2HG LYS 71 8.762 -4.685 -4.685 540 2HG LYS 71 1HG LYS 71 8.004 -5.235 -5.235 541 1HD LYS 71 2HD LYS 71 9.693 -6.753 -6.753 542 2HD LYS 71 1HD LYS 71 8.515 -7.612 -7.612 543 1HE LYS 71 2HE LYS 71 9.542 -6.683 -6.683 544 2HE LYS 71 1HE LYS 71 10.714 -5.819 -5.819 545 1HZ LYS 71 3HZ LYS 71 10.509 -8.709 -8.709 546 2HZ LYS 71 2HZ LYS 71 11.236 -8.163 -8.163 547 3HZ LYS 71 1HZ LYS 71 11.868 -7.703 -7.703 548 H LEU 72 H LEU 72 3.917 -5.138 -5.138 549 HA LEU 72 HA LEU 72 4.883 -4.131 -4.131 550 1HB LEU 72 2HB LEU 72 2.955 -5.827 -5.827 551 2HB LEU 72 1HB LEU 72 1.958 -4.384 -4.384 552 HG LEU 72 HG LEU 72 3.563 -5.506 -5.506 553 1HD1 LEU 72 3HD1 LEU 72 0.681 -5.361 -5.361 554 2HD1 LEU 72 2HD1 LEU 72 1.134 -5.246 -5.246 555 3HD1 LEU 72 1HD1 LEU 72 1.595 -6.665 -6.665 556 1HD2 LEU 72 2HD2 LEU 72 2.243 -2.834 -2.834 557 2HD2 LEU 72 1HD2 LEU 72 3.861 -3.202 -3.202 558 3HD2 LEU 72 3HD2 LEU 72 2.451 -3.562 -3.562 559 H VAL 73 H VAL 73 2.294 -2.867 -2.867 560 HA VAL 73 HA VAL 73 2.385 -0.319 -0.319 561 HB VAL 73 HB VAL 73 0.606 0.295 0.295 562 1HG1 VAL 73 1HG1 VAL 73 0.183 -1.796 -1.796 563 2HG1 VAL 73 3HG1 VAL 73 -1.140 -0.998 -0.998 564 3HG1 VAL 73 2HG1 VAL 73 -0.028 -0.052 -0.052 565 1HG2 VAL 73 1HG2 VAL 73 1.279 -1.740 -1.740 566 2HG2 VAL 73 3HG2 VAL 73 -0.442 -1.404 -1.404 567 3HG2 VAL 73 2HG2 VAL 73 0.324 -2.680 -2.680 568 H LYS 74 H LYS 74 3.468 -1.700 -1.700 569 HA LYS 74 HA LYS 74 3.838 0.570 0.570 570 1HB LYS 74 2HB LYS 74 4.144 -1.773 -1.773 571 2HB LYS 74 1HB LYS 74 5.659 -1.839 -1.839 572 1HG LYS 74 2HG LYS 74 6.544 -1.263 -1.263 573 2HG LYS 74 1HG LYS 74 6.077 0.367 0.367 574 1HD LYS 74 2HD LYS 74 3.772 -0.512 -0.512 575 2HD LYS 74 1HD LYS 74 4.966 -1.376 -1.376 576 1HE LYS 74 2HE LYS 74 5.759 1.367 1.367 577 2HE LYS 74 1HE LYS 74 4.132 1.280 1.280 578 1HZ LYS 74 1HZ LYS 74 6.115 -0.473 -0.473 579 2HZ LYS 74 3HZ LYS 74 6.324 1.182 1.182 580 3HZ LYS 74 2HZ LYS 74 4.880 0.425 0.425 581 H ALA 75 H ALA 75 5.988 -0.851 -0.851 582 HA ALA 75 HA ALA 75 8.090 1.027 1.027 583 1HB ALA 75 2HB ALA 75 7.495 -1.162 -1.162 584 2HB ALA 75 1HB ALA 75 8.541 0.114 0.114 585 3HB ALA 75 3HB ALA 75 8.992 -0.759 -0.759 586 H PHE 76 H PHE 76 5.214 0.946 0.946 587 HA PHE 76 HA PHE 76 5.901 2.982 2.982 588 1HB PHE 76 2HB PHE 76 3.877 1.296 1.296 589 2HB PHE 76 1HB PHE 76 3.073 2.608 2.608 590 HD1 PHE 76 HD2 PHE 76 2.567 4.702 4.702 591 HD2 PHE 76 HD1 PHE 76 4.440 1.485 1.485 592 HE1 PHE 76 HE2 PHE 76 2.046 5.779 5.779 593 HE2 PHE 76 HE1 PHE 76 3.923 2.557 2.557 594 HZ PHE 76 HZ PHE 76 2.724 4.702 4.702 595 H LYS 77 H LYS 77 4.143 3.080 3.080 596 HA LYS 77 HA LYS 77 3.659 5.858 5.858 597 1HB LYS 77 2HB LYS 77 3.916 4.035 4.035 598 2HB LYS 77 1HB LYS 77 3.099 5.592 5.592 599 1HG LYS 77 2HG LYS 77 1.214 4.625 4.625 600 2HG LYS 77 1HG LYS 77 2.014 3.909 3.909 601 1HD LYS 77 2HD LYS 77 1.345 2.004 2.004 602 2HD LYS 77 1HD LYS 77 2.921 2.227 2.227 603 1HE LYS 77 2HE LYS 77 2.023 2.782 2.782 604 2HE LYS 77 1HE LYS 77 0.640 3.598 3.598 605 1HZ LYS 77 2HZ LYS 77 -0.310 1.419 1.419 606 2HZ LYS 77 1HZ LYS 77 1.004 0.661 0.661 607 3HZ LYS 77 3HZ LYS 77 -0.057 1.614 1.614 608 H LYS 78 H LYS 78 6.539 4.121 4.121 609 HA LYS 78 HA LYS 78 7.768 6.277 6.277 610 1HB LYS 78 2HB LYS 78 8.036 3.790 3.790 611 2HB LYS 78 1HB LYS 78 9.098 3.705 3.705 612 1HG LYS 78 2HG LYS 78 10.618 4.068 4.068 613 2HG LYS 78 1HG LYS 78 10.285 5.729 5.729 614 1HD LYS 78 2HD LYS 78 9.257 6.238 6.238 615 2HD LYS 78 1HD LYS 78 8.497 4.651 4.651 616 1HE LYS 78 2HE LYS 78 11.433 5.093 5.093 617 2HE LYS 78 1HE LYS 78 10.228 5.230 5.230 618 1HZ LYS 78 2HZ LYS 78 9.554 2.932 2.932 619 2HZ LYS 78 1HZ LYS 78 10.798 2.817 2.817 620 3HZ LYS 78 3HZ LYS 78 11.169 3.037 3.037 621 H LYS 79 H LYS 79 7.559 5.045 5.045 622 HA LYS 79 HA LYS 79 10.006 6.418 6.418 623 1HB LYS 79 2HB LYS 79 9.367 4.046 4.046 624 2HB LYS 79 1HB LYS 79 8.189 4.831 4.831 625 1HG LYS 79 2HG LYS 79 10.493 6.217 6.217 626 2HG LYS 79 1HG LYS 79 11.071 4.568 4.568 627 1HD LYS 79 2HD LYS 79 9.064 3.949 3.949 628 2HD LYS 79 1HD LYS 79 9.187 5.637 5.637 629 1HE LYS 79 2HE LYS 79 11.578 3.821 3.821 630 2HE LYS 79 1HE LYS 79 10.496 3.893 3.893 631 1HZ LYS 79 3HZ LYS 79 10.963 6.478 6.478 632 2HZ LYS 79 2HZ LYS 79 12.427 5.844 5.844 633 3HZ LYS 79 1HZ LYS 79 11.911 5.508 5.508 634 H PHE 80 H PHE 80 6.510 6.504 6.504 635 HA PHE 80 HA PHE 80 6.863 9.005 9.005 636 1HB PHE 80 2HB PHE 80 4.383 7.297 7.297 637 2HB PHE 80 1HB PHE 80 4.871 8.552 8.552 638 HD1 PHE 80 HD2 PHE 80 5.394 5.090 5.090 639 HD2 PHE 80 HD1 PHE 80 6.460 8.100 8.100 640 HE1 PHE 80 HE2 PHE 80 6.432 3.380 3.380 641 HE2 PHE 80 HE1 PHE 80 7.501 6.396 6.396 642 HZ PHE 80 HZ PHE 80 7.489 4.032 4.032 643 H ALA 81 H ALA 81 5.593 7.632 7.632 644 HA ALA 81 HA ALA 81 4.647 8.623 8.623 645 1HB ALA 81 1HB ALA 81 6.039 10.629 10.629 646 2HB ALA 81 3HB ALA 81 4.510 11.250 11.250 647 3HB ALA 81 2HB ALA 81 4.697 10.933 10.933 648 H CYS 82 H CYS 82 3.139 7.395 7.395 649 HA CYS 82 HA CYS 82 0.622 8.918 8.918 650 1HB CYS 82 2HB CYS 82 1.703 6.902 6.902 651 2HB CYS 82 1HB CYS 82 -0.029 7.196 7.196 652 HG CYS 82 HG CYS 82 1.792 9.623 9.623 653 H ASN 83 H ASN 83 -1.325 7.213 7.213 654 HA ASN 83 HA ASN 83 -0.986 5.438 5.438 655 1HB ASN 83 2HB ASN 83 -3.064 6.011 6.011 656 2HB ASN 83 1HB ASN 83 -2.922 7.321 7.321 657 1HD2 ASN 83 2HD2 ASN 83 -5.164 4.033 4.033 658 2HD2 ASN 83 1HD2 ASN 83 -3.823 3.889 3.889 659 H GLY 84 H GLY 84 -0.710 3.354 3.354 660 1HA GLY 84 2HA GLY 84 -1.633 2.245 2.245 661 2HA GLY 84 1HA GLY 84 -0.331 1.585 1.585 662 H THR 85 H THR 85 -3.617 1.408 1.408 663 HA THR 85 HA THR 85 -4.207 -0.182 -0.182 664 HB THR 85 HB THR 85 -6.592 -0.001 -0.001 665 HG1 THR 85 HG1 THR 85 -7.030 1.531 1.531 666 1HG2 THR 85 1HG2 THR 85 -4.956 2.265 2.265 667 2HG2 THR 85 3HG2 THR 85 -6.552 2.655 2.655 668 3HG2 THR 85 2HG2 THR 85 -6.393 1.530 1.530 669 H VAL 86 H VAL 86 -5.348 -2.201 -2.201 670 HA VAL 86 HA VAL 86 -4.715 -3.573 -3.573 671 HB VAL 86 HB VAL 86 -3.358 -4.383 -4.383 672 1HG1 VAL 86 3HG1 VAL 86 -5.607 -3.968 -3.968 673 2HG1 VAL 86 2HG1 VAL 86 -5.500 -5.726 -5.726 674 3HG1 VAL 86 1HG1 VAL 86 -4.135 -4.790 -4.790 675 1HG2 VAL 86 3HG2 VAL 86 -4.356 -5.893 -5.893 676 2HG2 VAL 86 2HG2 VAL 86 -3.605 -6.651 -6.651 677 3HG2 VAL 86 1HG2 VAL 86 -5.361 -6.541 -6.541 678 H ILE 87 H ILE 87 -6.915 -2.689 -2.689 679 HA ILE 87 HA ILE 87 -9.198 -3.921 -3.921 680 HB ILE 87 HB ILE 87 -10.518 -2.803 -2.803 681 1HG1 ILE 87 2HG1 ILE 87 -8.312 -1.185 -1.185 682 2HG1 ILE 87 1HG1 ILE 87 -8.162 -2.887 -2.887 683 1HG2 ILE 87 3HG2 ILE 87 -9.880 -1.651 -1.651 684 2HG2 ILE 87 2HG2 ILE 87 -8.504 -0.945 -0.945 685 3HG2 ILE 87 1HG2 ILE 87 -10.147 -0.551 -0.551 686 1HD1 ILE 87 3HD1 ILE 87 -10.520 -2.764 -2.764 687 2HD1 ILE 87 2HD1 ILE 87 -10.422 -1.017 -1.017 688 3HD1 ILE 87 1HD1 ILE 87 -9.327 -1.828 -1.828 689 H GLU 88 H GLU 88 -10.630 -5.398 -5.398 690 HA GLU 88 HA GLU 88 -9.379 -7.091 -7.091 691 1HB GLU 88 2HB GLU 88 -10.148 -7.955 -7.955 692 2HB GLU 88 1HB GLU 88 -11.759 -7.906 -7.906 693 1HG GLU 88 2HG GLU 88 -10.700 -9.282 -9.282 694 2HG GLU 88 1HG GLU 88 -9.429 -9.615 -9.615 695 H HIS 89 H HIS 89 -10.094 -5.437 -5.437 696 HA HIS 89 HA HIS 89 -12.749 -4.809 -4.809 697 1HB HIS 89 2HB HIS 89 -10.427 -4.016 -4.016 698 2HB HIS 89 1HB HIS 89 -10.898 -5.161 -5.161 699 HD1 HIS 89 HD1 HIS 89 -12.523 -4.349 -4.349 700 HD2 HIS 89 HD2 HIS 89 -12.397 -1.898 -1.898 701 HE1 HIS 89 HE1 HIS 89 -13.961 -2.367 -2.367 702 HE2 HIS 89 HE2 HIS 89 -13.935 -0.933 -0.933 703 HA PRO 90 HA PRO 90 -14.276 -8.682 -8.682 704 1HB PRO 90 2HB PRO 90 -16.675 -7.866 -7.866 705 2HB PRO 90 1HB PRO 90 -16.295 -7.935 -7.935 706 1HG PRO 90 2HG PRO 90 -16.327 -5.575 -5.575 707 2HG PRO 90 1HG PRO 90 -16.936 -5.708 -5.708 708 1HD PRO 90 2HD PRO 90 -14.515 -4.599 -4.599 709 2HD PRO 90 1HD PRO 90 -14.870 -5.338 -5.338 710 H GLU 91 H GLU 91 -13.882 -5.830 -5.830 711 HA GLU 91 HA GLU 91 -14.529 -7.097 -7.097 712 1HB GLU 91 2HB GLU 91 -14.137 -4.454 -4.454 713 2HB GLU 91 1HB GLU 91 -12.944 -4.735 -4.735 714 1HG GLU 91 2HG GLU 91 -15.777 -5.508 -5.508 715 2HG GLU 91 1HG GLU 91 -15.313 -3.810 -3.810 716 H TYR 92 H TYR 92 -11.718 -6.737 -6.737 717 HA TYR 92 HA TYR 92 -10.073 -7.909 -7.909 718 1HB TYR 92 2HB TYR 92 -8.836 -6.416 -6.416 719 2HB TYR 92 1HB TYR 92 -8.230 -6.659 -6.659 720 HD1 TYR 92 HD2 TYR 92 -10.468 -5.748 -5.748 721 HD2 TYR 92 HD1 TYR 92 -8.899 -4.111 -4.111 722 HE1 TYR 92 HE2 TYR 92 -11.316 -3.536 -3.536 723 HE2 TYR 92 HE1 TYR 92 -9.743 -1.890 -1.890 724 HH TYR 92 HH TYR 92 -11.998 -1.389 -1.389 725 H GLY 93 H GLY 93 -10.450 -7.715 -7.715 726 1HA GLY 93 2HA GLY 93 -10.610 -9.650 -9.650 727 2HA GLY 93 1HA GLY 93 -9.759 -10.564 -10.564 728 H GLU 94 H GLU 94 -9.463 -8.563 -8.563 729 HA GLU 94 HA GLU 94 -7.728 -8.108 -8.108 730 1HB GLU 94 2HB GLU 94 -7.387 -10.687 -10.687 731 2HB GLU 94 1HB GLU 94 -5.898 -10.030 -10.030 732 1HG GLU 94 2HG GLU 94 -5.639 -8.921 -8.921 733 2HG GLU 94 1HG GLU 94 -6.817 -10.127 -10.127 734 H VAL 95 H VAL 95 -7.330 -6.034 -6.034 735 HA VAL 95 HA VAL 95 -4.877 -5.780 -5.780 736 HB VAL 95 HB VAL 95 -5.852 -3.809 -3.809 737 1HG1 VAL 95 2HG1 VAL 95 -5.762 -6.213 -6.213 738 2HG1 VAL 95 1HG1 VAL 95 -7.500 -6.244 -6.244 739 3HG1 VAL 95 3HG1 VAL 95 -6.816 -5.067 -5.067 740 1HG2 VAL 95 3HG2 VAL 95 -7.737 -3.659 -3.659 741 2HG2 VAL 95 2HG2 VAL 95 -8.093 -3.244 -3.244 742 3HG2 VAL 95 1HG2 VAL 95 -8.567 -4.819 -4.819 743 H ILE 96 H ILE 96 -3.568 -4.055 -4.055 744 HA ILE 96 HA ILE 96 -4.085 -2.892 -2.892 745 HB ILE 96 HB ILE 96 -1.727 -3.148 -3.148 746 1HG1 ILE 96 2HG1 ILE 96 -2.320 -4.583 -4.583 747 2HG1 ILE 96 1HG1 ILE 96 -0.679 -3.944 -3.944 748 1HG2 ILE 96 2HG2 ILE 96 -2.071 -0.840 -0.840 749 2HG2 ILE 96 1HG2 ILE 96 -0.488 -1.451 -1.451 750 3HG2 ILE 96 3HG2 ILE 96 -1.587 -0.803 -0.803 751 1HD1 ILE 96 1HD1 ILE 96 -2.061 -2.025 -2.025 752 2HD1 ILE 96 3HD1 ILE 96 -2.806 -3.531 -3.531 753 3HD1 ILE 96 2HD1 ILE 96 -1.066 -3.303 -3.303 754 H GLN 97 H GLN 97 -4.861 -0.930 -0.930 755 HA GLN 97 HA GLN 97 -5.284 0.850 0.850 756 1HB GLN 97 2HB GLN 97 -6.875 0.099 0.099 757 2HB GLN 97 1HB GLN 97 -6.656 1.842 1.842 758 1HG GLN 97 2HG GLN 97 -7.451 1.848 1.848 759 2HG GLN 97 1HG GLN 97 -7.816 0.131 0.131 760 1HE2 GLN 97 2HE2 GLN 97 -11.017 1.500 1.500 761 2HE2 GLN 97 1HE2 GLN 97 -9.982 0.966 0.966 762 H LEU 98 H LEU 98 -3.649 2.236 2.236 763 HA LEU 98 HA LEU 98 -2.321 3.370 3.370 764 1HB LEU 98 2HB LEU 98 -1.777 3.882 3.882 765 2HB LEU 98 1HB LEU 98 -0.749 4.310 4.310 766 HG LEU 98 HG LEU 98 -1.427 1.437 1.437 767 1HD1 LEU 98 3HD1 LEU 98 -0.559 2.696 2.696 768 2HD1 LEU 98 2HD1 LEU 98 0.990 2.613 2.613 769 3HD1 LEU 98 1HD1 LEU 98 0.114 1.130 1.130 770 1HD2 LEU 98 3HD2 LEU 98 0.607 3.029 3.029 771 2HD2 LEU 98 2HD2 LEU 98 -0.220 1.543 1.543 772 3HD2 LEU 98 1HD2 LEU 98 1.119 1.483 1.483 773 H GLN 99 H GLN 99 -2.014 5.725 5.725 774 HA GLN 99 HA GLN 99 -4.513 7.085 7.085 775 1HB GLN 99 2HB GLN 99 -3.115 7.044 7.044 776 2HB GLN 99 1HB GLN 99 -2.398 8.467 8.467 777 1HG GLN 99 2HG GLN 99 -5.363 8.216 8.216 778 2HG GLN 99 1HG GLN 99 -4.474 8.676 8.676 779 1HE2 GLN 99 2HE2 GLN 99 -5.200 11.893 11.893 780 2HE2 GLN 99 1HE2 GLN 99 -5.833 10.631 10.631 781 H GLY 100 H GLY 100 -4.668 8.920 8.920 782 1HA GLY 100 2HA GLY 100 -4.048 10.599 10.599 783 2HA GLY 100 1HA GLY 100 -2.387 10.377 10.377 784 H ASP 101 H ASP 101 -2.430 10.920 10.920 785 HA ASP 101 HA ASP 101 -2.875 8.624 8.624 786 1HB ASP 101 2HB ASP 101 -1.958 10.074 10.074 787 2HB ASP 101 1HB ASP 101 -3.286 10.832 10.832 788 H GLN 102 H GLN 102 -1.508 7.041 7.041 789 HA GLN 102 HA GLN 102 1.370 7.576 7.576 790 1HB GLN 102 2HB GLN 102 -0.343 5.702 5.702 791 2HB GLN 102 1HB GLN 102 1.231 5.095 5.095 792 1HG GLN 102 2HG GLN 102 0.937 6.247 6.247 793 2HG GLN 102 1HG GLN 102 2.373 6.568 6.568 794 1HE2 GLN 102 2HE2 GLN 102 -0.508 9.478 9.478 795 2HE2 GLN 102 1HE2 GLN 102 -0.945 7.810 7.810 796 H ARG 103 H ARG 103 -0.721 6.845 6.845 797 HA ARG 103 HA ARG 103 -0.267 4.359 4.359 798 1HB ARG 103 2HB ARG 103 -0.754 5.355 5.355 799 2HB ARG 103 1HB ARG 103 -1.872 5.905 5.905 800 1HG ARG 103 2HG ARG 103 -0.707 8.013 8.013 801 2HG ARG 103 1HG ARG 103 0.511 7.462 7.462 802 1HD ARG 103 2HD ARG 103 -2.408 7.988 7.988 803 2HD ARG 103 1HD ARG 103 -1.024 8.861 8.861 804 HE ARG 103 HE ARG 103 -2.158 6.442 6.442 805 1HH1 ARG 103 2HH1 ARG 103 0.833 8.213 8.213 806 2HH1 ARG 103 1HH1 ARG 103 1.569 7.463 7.463 807 1HH2 ARG 103 1HH2 ARG 103 -1.193 5.455 5.455 808 2HH2 ARG 103 2HH2 ARG 103 0.418 5.899 5.899 809 H LYS 104 H LYS 104 1.910 7.062 7.062 810 HA LYS 104 HA LYS 104 3.815 5.673 5.673 811 1HB LYS 104 2HB LYS 104 3.165 8.151 8.151 812 2HB LYS 104 1HB LYS 104 4.174 8.451 8.451 813 1HG LYS 104 2HG LYS 104 5.623 6.819 6.819 814 2HG LYS 104 1HG LYS 104 4.959 8.205 8.205 815 1HD LYS 104 2HD LYS 104 6.511 8.410 8.410 816 2HD LYS 104 1HD LYS 104 7.231 8.580 8.580 817 1HE LYS 104 2HE LYS 104 6.059 10.553 10.553 818 2HE LYS 104 1HE LYS 104 4.888 10.253 10.253 819 1HZ LYS 104 2HZ LYS 104 7.132 10.385 10.385 820 2HZ LYS 104 1HZ LYS 104 7.539 11.431 11.431 821 3HZ LYS 104 3HZ LYS 104 6.164 11.733 11.733 822 H ASN 105 H ASN 105 3.199 6.504 6.504 823 HA ASN 105 HA ASN 105 5.951 6.133 6.133 824 1HB ASN 105 2HB ASN 105 3.378 6.838 6.838 825 2HB ASN 105 1HB ASN 105 4.716 6.225 6.225 826 1HD2 ASN 105 2HD2 ASN 105 4.652 10.025 10.025 827 2HD2 ASN 105 1HD2 ASN 105 3.346 8.919 8.919 828 H ILE 106 H ILE 106 2.911 4.333 4.333 829 HA ILE 106 HA ILE 106 3.772 2.251 2.251 830 HB ILE 106 HB ILE 106 1.402 2.643 2.643 831 1HG1 ILE 106 2HG1 ILE 106 0.766 0.307 0.307 832 2HG1 ILE 106 1HG1 ILE 106 2.334 -0.140 -0.140 833 1HG2 ILE 106 1HG2 ILE 106 1.828 3.038 3.038 834 2HG2 ILE 106 3HG2 ILE 106 1.977 1.291 1.291 835 3HG2 ILE 106 2HG2 ILE 106 0.455 1.995 1.995 836 1HD1 ILE 106 1HD1 ILE 106 2.298 1.269 1.269 837 2HD1 ILE 106 3HD1 ILE 106 1.757 -0.408 -0.408 838 3HD1 ILE 106 2HD1 ILE 106 3.378 0.011 0.011 839 H CYS 107 H CYS 107 3.674 2.407 2.407 840 HA CYS 107 HA CYS 107 4.880 -0.088 -0.088 841 1HB CYS 107 2HB CYS 107 5.026 2.449 2.449 842 2HB CYS 107 1HB CYS 107 5.507 0.852 0.852 843 HG CYS 107 HG CYS 107 2.642 0.767 0.767 844 H GLN 108 H GLN 108 6.095 3.017 3.017 845 HA GLN 108 HA GLN 108 8.869 2.486 2.486 846 1HB GLN 108 2HB GLN 108 8.315 4.759 4.759 847 2HB GLN 108 1HB GLN 108 7.282 4.622 4.622 848 1HG GLN 108 2HG GLN 108 9.075 5.769 5.769 849 2HG GLN 108 1HG GLN 108 9.500 4.112 4.112 850 1HE2 GLN 108 2HE2 GLN 108 12.251 3.918 3.918 851 2HE2 GLN 108 1HE2 GLN 108 11.074 3.029 3.029 852 H PHE 109 H PHE 109 6.605 2.101 2.101 853 HA PHE 109 HA PHE 109 8.575 1.514 1.514 854 1HB PHE 109 2HB PHE 109 6.359 2.416 2.416 855 2HB PHE 109 1HB PHE 109 5.601 0.957 0.957 856 HD1 PHE 109 HD1 PHE 109 8.166 2.024 2.024 857 HD2 PHE 109 HD2 PHE 109 5.105 -0.750 -0.750 858 HE1 PHE 109 HE1 PHE 109 8.387 0.972 0.972 859 HE2 PHE 109 HE2 PHE 109 5.319 -1.808 -1.808 860 HZ PHE 109 HZ PHE 109 6.961 -0.943 -0.943 861 H LEU 110 H LEU 110 6.354 -0.375 -0.375 862 HA LEU 110 HA LEU 110 6.905 -2.911 -2.911 863 1HB LEU 110 2HB LEU 110 5.898 -1.852 -1.852 864 2HB LEU 110 1HB LEU 110 6.395 -3.531 -3.531 865 HG LEU 110 HG LEU 110 4.729 -4.071 -4.071 866 1HD1 LEU 110 3HD1 LEU 110 5.016 -2.017 -2.017 867 2HD1 LEU 110 2HD1 LEU 110 4.041 -1.145 -1.145 868 3HD1 LEU 110 1HD1 LEU 110 3.331 -2.470 -2.470 869 1HD2 LEU 110 2HD2 LEU 110 4.103 -3.428 -3.428 870 2HD2 LEU 110 1HD2 LEU 110 2.871 -3.885 -3.885 871 3HD2 LEU 110 3HD2 LEU 110 3.158 -2.183 -2.183 872 H VAL 111 H VAL 111 8.701 -0.890 -0.890 873 HA VAL 111 HA VAL 111 10.547 -3.038 -3.038 874 HB VAL 111 HB VAL 111 10.589 -0.126 -0.126 875 1HG1 VAL 111 2HG1 VAL 111 12.208 -2.498 -2.498 876 2HG1 VAL 111 1HG1 VAL 111 12.108 -0.986 -0.986 877 3HG1 VAL 111 3HG1 VAL 111 12.794 -1.001 -1.001 878 1HG2 VAL 111 1HG2 VAL 111 8.671 -1.779 -1.779 879 2HG2 VAL 111 3HG2 VAL 111 9.390 -0.643 -0.643 880 3HG2 VAL 111 2HG2 VAL 111 9.900 -2.332 -2.332 881 H GLU 112 H GLU 112 10.362 -0.195 -0.195 882 HA GLU 112 HA GLU 112 13.137 -0.004 -0.004 883 1HB GLU 112 2HB GLU 112 10.644 1.075 1.075 884 2HB GLU 112 1HB GLU 112 12.207 1.271 1.271 885 1HG GLU 112 2HG GLU 112 12.257 2.035 2.035 886 2HG GLU 112 1HG GLU 112 11.083 2.955 2.955 887 H ILE 113 H ILE 113 10.405 -1.589 -1.589 888 HA ILE 113 HA ILE 113 12.150 -2.670 -2.670 889 HB ILE 113 HB ILE 113 10.214 -3.394 -3.394 890 1HG1 ILE 113 2HG1 ILE 113 8.676 -2.919 -2.919 891 2HG1 ILE 113 1HG1 ILE 113 9.050 -4.483 -4.483 892 1HG2 ILE 113 2HG2 ILE 113 10.626 -0.832 -0.832 893 2HG2 ILE 113 1HG2 ILE 113 9.070 -0.941 -0.941 894 3HG2 ILE 113 3HG2 ILE 113 9.203 -1.395 -1.395 895 1HD1 ILE 113 1HD1 ILE 113 7.656 -2.751 -2.751 896 2HD1 ILE 113 3HD1 ILE 113 6.747 -3.018 -3.018 897 3HD1 ILE 113 2HD1 ILE 113 7.280 -4.394 -4.394 898 H GLY 114 H GLY 114 10.797 -3.601 -3.601 899 1HA GLY 114 2HA GLY 114 11.377 -5.509 -5.509 900 2HA GLY 114 1HA GLY 114 12.034 -6.225 -6.225 901 H LEU 115 H LEU 115 8.852 -4.798 -4.798 902 HA LEU 115 HA LEU 115 7.620 -7.193 -7.193 903 1HB LEU 115 2HB LEU 115 7.032 -4.562 -4.562 904 2HB LEU 115 1HB LEU 115 5.927 -5.018 -5.018 905 HG LEU 115 HG LEU 115 4.822 -6.603 -6.603 906 1HD1 LEU 115 1HD1 LEU 115 7.203 -6.224 -6.224 907 2HD1 LEU 115 3HD1 LEU 115 5.657 -6.570 -6.570 908 3HD1 LEU 115 2HD1 LEU 115 6.323 -7.695 -7.695 909 1HD2 LEU 115 1HD2 LEU 115 4.731 -3.915 -3.915 910 2HD2 LEU 115 3HD2 LEU 115 3.640 -5.083 -5.083 911 3HD2 LEU 115 2HD2 LEU 115 5.051 -4.501 -4.501 912 H ALA 116 H ALA 116 6.705 -5.216 -5.216 913 HA ALA 116 HA ALA 116 5.733 -7.624 -7.624 914 1HB ALA 116 3HB ALA 116 4.365 -5.523 -5.523 915 2HB ALA 116 2HB ALA 116 5.533 -4.784 -4.784 916 3HB ALA 116 1HB ALA 116 4.592 -6.179 -6.179 917 H LYS 117 H LYS 117 6.068 -7.376 -7.376 918 HA LYS 117 HA LYS 117 8.980 -7.292 -7.292 919 1HB LYS 117 2HB LYS 117 7.067 -9.178 -9.178 920 2HB LYS 117 1HB LYS 117 7.497 -8.353 -8.353 921 1HG LYS 117 2HG LYS 117 9.019 -10.066 -10.066 922 2HG LYS 117 1HG LYS 117 9.939 -8.763 -8.763 923 1HD LYS 117 2HD LYS 117 8.420 -10.911 -10.911 924 2HD LYS 117 1HD LYS 117 10.163 -10.905 -10.905 925 1HE LYS 117 2HE LYS 117 10.199 -8.657 -8.657 926 2HE LYS 117 1HE LYS 117 8.536 -8.989 -8.989 927 1HZ LYS 117 1HZ LYS 117 10.854 -10.738 -10.738 928 2HZ LYS 117 3HZ LYS 117 10.177 -9.621 -9.621 929 3HZ LYS 117 2HZ LYS 117 9.265 -10.942 -10.942 930 H ASP 118 H ASP 118 9.867 -6.345 -6.345 931 HA ASP 118 HA ASP 118 8.793 -3.807 -3.807 932 1HB ASP 118 2HB ASP 118 10.782 -5.244 -5.244 933 2HB ASP 118 1HB ASP 118 10.611 -3.510 -3.510 934 H ASP 119 H ASP 119 8.421 -6.930 -6.930 935 HA ASP 119 HA ASP 119 7.208 -5.909 -5.909 936 1HB ASP 119 2HB ASP 119 7.274 -8.739 -8.739 937 2HB ASP 119 1HB ASP 119 6.834 -8.254 -8.254 938 H GLN 120 H GLN 120 6.220 -7.025 -7.025 939 HA GLN 120 HA GLN 120 3.446 -7.340 -7.340 940 1HB GLN 120 2HB GLN 120 4.818 -7.154 -7.154 941 2HB GLN 120 1HB GLN 120 3.131 -7.575 -7.575 942 1HG GLN 120 2HG GLN 120 3.851 -9.553 -9.553 943 2HG GLN 120 1HG GLN 120 5.526 -9.146 -9.146 944 1HE2 GLN 120 2HE2 GLN 120 3.141 -10.157 -10.157 945 2HE2 GLN 120 1HE2 GLN 120 2.543 -9.142 -9.142 946 H LEU 121 H LEU 121 5.428 -4.681 -4.681 947 HA LEU 121 HA LEU 121 3.934 -2.937 -2.937 948 1HB LEU 121 2HB LEU 121 5.691 -2.427 -2.427 949 2HB LEU 121 1HB LEU 121 4.982 -1.130 -1.130 950 HG LEU 121 HG LEU 121 6.745 -3.240 -3.240 951 1HD1 LEU 121 3HD1 LEU 121 7.466 -0.702 -0.702 952 2HD1 LEU 121 2HD1 LEU 121 8.442 -1.283 -1.283 953 3HD1 LEU 121 1HD1 LEU 121 8.237 -2.286 -2.286 954 1HD2 LEU 121 2HD2 LEU 121 5.125 -1.226 -1.226 955 2HD2 LEU 121 1HD2 LEU 121 6.337 -2.200 -2.200 956 3HD2 LEU 121 3HD2 LEU 121 6.783 -0.641 -0.641 957 H LYS 122 H LYS 122 1.736 -3.229 -3.229 958 HA LYS 122 HA LYS 122 0.716 -2.260 -2.260 959 1HB LYS 122 2HB LYS 122 -0.223 -4.328 -4.328 960 2HB LYS 122 1HB LYS 122 -1.461 -3.378 -3.378 961 1HG LYS 122 2HG LYS 122 0.732 -4.806 -4.806 962 2HG LYS 122 1HG LYS 122 -0.832 -5.540 -5.540 963 1HD LYS 122 2HD LYS 122 -1.883 -4.359 -4.359 964 2HD LYS 122 1HD LYS 122 -0.995 -2.881 -2.881 965 1HE LYS 122 2HE LYS 122 0.668 -3.340 -3.340 966 2HE LYS 122 1HE LYS 122 0.509 -5.085 -5.085 967 1HZ LYS 122 3HZ LYS 122 -1.808 -4.531 -4.531 968 2HZ LYS 122 2HZ LYS 122 -0.875 -3.285 -3.285 969 3HZ LYS 122 1HZ LYS 122 -0.408 -4.896 -4.896 970 H VAL 123 H VAL 123 0.810 -0.060 -0.060 971 HA VAL 123 HA VAL 123 -0.668 0.866 0.866 972 HB VAL 123 HB VAL 123 1.542 1.854 1.854 973 1HG1 VAL 123 2HG1 VAL 123 1.184 1.741 1.741 974 2HG1 VAL 123 1HG1 VAL 123 0.305 3.258 3.258 975 3HG1 VAL 123 3HG1 VAL 123 2.005 3.162 3.162 976 1HG2 VAL 123 3HG2 VAL 123 -0.777 3.772 3.772 977 2HG2 VAL 123 2HG2 VAL 123 -0.077 3.126 3.126 978 3HG2 VAL 123 1HG2 VAL 123 0.869 4.207 4.207 979 H HIS 124 H HIS 124 -2.679 1.584 1.584 980 HA HIS 124 HA HIS 124 -3.726 2.663 2.663 981 1HB HIS 124 2HB HIS 124 -5.282 0.747 0.747 982 2HB HIS 124 1HB HIS 124 -5.775 1.412 1.412 983 HD1 HIS 124 HD1 HIS 124 -5.261 0.024 0.024 984 HD2 HIS 124 HD2 HIS 124 -2.966 -1.054 -1.054 985 HE1 HIS 124 HE1 HIS 124 -3.979 -2.017 -2.017 986 HE2 HIS 124 HE2 HIS 124 -2.706 -2.728 -2.728 987 H GLY 125 H GLY 125 -2.753 3.996 3.996 988 1HA GLY 125 2HA GLY 125 -4.656 4.727 4.727 989 2HA GLY 125 1HA GLY 125 -3.319 5.741 5.741 990 H PHE 126 HN PHE 126 -6.694 4.967 4.967 991 HA PHE 126 HA PHE 126 -8.422 6.164 6.164 992 1HB PHE 126 2HB PHE 126 -6.768 7.984 7.984 993 2HB PHE 126 1HB PHE 126 -7.113 8.744 8.744 994 HD1 PHE 126 HD1 PHE 126 -9.909 7.528 7.528 995 HD2 PHE 126 HD2 PHE 126 -7.946 9.478 9.478 996 HE1 PHE 126 HE1 PHE 126 -12.090 8.265 8.265 997 HE2 PHE 126 HE2 PHE 126 -10.128 10.217 10.217 998 HZ PHE 126 HZ PHE 126 -12.201 9.611 9.611 Start of MODEL 9 1 1H MET 1 3H MET 1 -39.309 -4.464 -4.464 2 2H MET 1 2H MET 1 -40.375 -5.809 -5.809 3 3H MET 1 1H MET 1 -38.754 -6.008 -6.008 4 HA MET 1 HA MET 1 -38.798 -6.851 -6.851 5 1HB MET 1 2HB MET 1 -39.820 -5.624 -5.624 6 2HB MET 1 1HB MET 1 -40.991 -5.964 -5.964 7 1HG MET 1 2HG MET 1 -40.422 -3.592 -3.592 8 2HG MET 1 1HG MET 1 -39.754 -3.358 -3.358 9 1HE MET 1 1HE MET 1 -41.325 -1.335 -1.335 10 2HE MET 1 3HE MET 1 -41.305 -2.104 -2.104 11 3HE MET 1 2HE MET 1 -42.827 -1.532 -1.532 12 H ARG 2 H ARG 2 -37.523 -6.107 -6.107 13 HA ARG 2 HA ARG 2 -35.637 -5.193 -5.193 14 1HB ARG 2 2HB ARG 2 -37.156 -3.064 -3.064 15 2HB ARG 2 1HB ARG 2 -35.750 -2.751 -2.751 16 1HG ARG 2 2HG ARG 2 -34.530 -3.309 -3.309 17 2HG ARG 2 1HG ARG 2 -36.048 -2.639 -2.639 18 1HD ARG 2 2HD ARG 2 -35.661 -0.568 -0.568 19 2HD ARG 2 1HD ARG 2 -34.550 -1.217 -1.217 20 HE ARG 2 HE ARG 2 -33.520 -1.517 -1.517 21 1HH1 ARG 2 2HH1 ARG 2 -33.986 0.821 0.821 22 2HH1 ARG 2 1HH1 ARG 2 -32.655 1.812 1.812 23 1HH2 ARG 2 1HH2 ARG 2 -31.769 -0.214 -0.214 24 2HH2 ARG 2 2HH2 ARG 2 -31.396 1.225 1.225 25 H GLY 3 H GLY 3 -33.694 -5.943 -5.943 26 1HA GLY 3 2HA GLY 3 -31.959 -5.061 -5.061 27 2HA GLY 3 1HA GLY 3 -32.892 -6.283 -6.283 28 H SER 4 H SER 4 -33.150 -8.371 -8.371 29 HA SER 4 HA SER 4 -30.700 -8.967 -8.967 30 1HB SER 4 2HB SER 4 -30.016 -9.602 -9.602 31 2HB SER 4 1HB SER 4 -31.556 -10.395 -10.395 32 HG SER 4 HG SER 4 -29.488 -11.613 -11.613 33 H HIS 5 H HIS 5 -30.816 -11.357 -11.357 34 HA HIS 5 HA HIS 5 -33.278 -11.613 -11.613 35 1HB HIS 5 2HB HIS 5 -30.769 -13.291 -13.291 36 2HB HIS 5 1HB HIS 5 -32.154 -13.698 -13.698 37 HD1 HIS 5 HD1 HIS 5 -29.943 -10.636 -10.636 38 HD2 HIS 5 HD2 HIS 5 -31.884 -12.718 -12.718 39 HE1 HIS 5 HE1 HIS 5 -29.343 -9.441 -9.441 40 HE2 HIS 5 HE2 HIS 5 -30.599 -10.668 -10.668 41 H HIS 6 H HIS 6 -31.558 -14.196 -14.196 42 HA HIS 6 HA HIS 6 -32.290 -15.901 -15.901 43 1HB HIS 6 2HB HIS 6 -32.938 -14.031 -14.031 44 2HB HIS 6 1HB HIS 6 -34.519 -13.983 -13.983 45 HD1 HIS 6 HD1 HIS 6 -32.385 -16.376 -16.376 46 HD2 HIS 6 HD2 HIS 6 -36.371 -15.621 -15.621 47 HE1 HIS 6 HE1 HIS 6 -33.710 -17.938 -17.938 48 HE2 HIS 6 HE2 HIS 6 -36.114 -17.532 -17.532 49 H HIS 7 H HIS 7 -32.757 -17.225 -17.225 50 HA HIS 7 HA HIS 7 -35.640 -17.571 -17.571 51 1HB HIS 7 2HB HIS 7 -35.093 -18.285 -18.285 52 2HB HIS 7 1HB HIS 7 -34.597 -16.623 -16.623 53 HD1 HIS 7 HD1 HIS 7 -31.969 -16.280 -16.280 54 HD2 HIS 7 HD2 HIS 7 -33.099 -19.946 -19.946 55 HE1 HIS 7 HE1 HIS 7 -29.861 -17.287 -17.287 56 HE2 HIS 7 HE2 HIS 7 -30.576 -19.484 -19.484 57 H HIS 8 H HIS 8 -36.133 -19.318 -19.318 58 HA HIS 8 HA HIS 8 -36.204 -21.471 -21.471 59 1HB HIS 8 2HB HIS 8 -34.617 -21.859 -21.859 60 2HB HIS 8 1HB HIS 8 -35.116 -23.202 -23.202 61 HD1 HIS 8 HD1 HIS 8 -36.085 -21.944 -21.944 62 HD2 HIS 8 HD2 HIS 8 -38.205 -22.546 -22.546 63 HE1 HIS 8 HE1 HIS 8 -38.501 -22.081 -22.081 64 HE2 HIS 8 HE2 HIS 8 -39.771 -22.366 -22.366 65 H HIS 9 H HIS 9 -32.972 -21.773 -21.773 66 HA HIS 9 HA HIS 9 -31.005 -22.454 -22.454 67 1HB HIS 9 2HB HIS 9 -31.313 -19.948 -19.948 68 2HB HIS 9 1HB HIS 9 -31.586 -20.546 -20.546 69 HD1 HIS 9 HD1 HIS 9 -29.308 -22.898 -22.898 70 HD2 HIS 9 HD2 HIS 9 -28.925 -18.766 -18.766 71 HE1 HIS 9 HE1 HIS 9 -26.861 -22.470 -22.470 72 HE2 HIS 9 HE2 HIS 9 -26.669 -19.967 -19.967 73 H HIS 10 H HIS 10 -32.010 -24.558 -24.558 74 HA HIS 10 HA HIS 10 -32.030 -25.007 -25.007 75 1HB HIS 10 2HB HIS 10 -34.285 -25.182 -25.182 76 2HB HIS 10 1HB HIS 10 -33.681 -26.826 -26.826 77 HD1 HIS 10 HD1 HIS 10 -34.748 -28.301 -28.301 78 HD2 HIS 10 HD2 HIS 10 -34.082 -24.497 -24.497 79 HE1 HIS 10 HE1 HIS 10 -35.579 -28.378 -28.378 80 HE2 HIS 10 HE2 HIS 10 -35.244 -26.041 -26.041 81 H THR 11 H THR 11 -29.691 -25.357 -25.357 82 HA THR 11 HA THR 11 -29.382 -28.220 -28.220 83 HB THR 11 HB THR 11 -27.337 -27.688 -27.688 84 HG1 THR 11 HG1 THR 11 -26.715 -25.633 -25.633 85 1HG2 THR 11 3HG2 THR 11 -29.920 -26.501 -26.501 86 2HG2 THR 11 2HG2 THR 11 -28.465 -26.277 -26.277 87 3HG2 THR 11 1HG2 THR 11 -29.050 -27.904 -27.904 88 H ASP 12 H ASP 12 -29.443 -28.096 -28.096 89 HA ASP 12 HA ASP 12 -27.147 -27.035 -27.035 90 1HB ASP 12 2HB ASP 12 -29.475 -28.747 -28.747 91 2HB ASP 12 1HB ASP 12 -28.102 -28.546 -28.546 92 HA PRO 13 HA PRO 13 -24.105 -30.186 -30.186 93 1HB PRO 13 2HB PRO 13 -23.973 -30.205 -30.205 94 2HB PRO 13 1HB PRO 13 -22.673 -30.021 -30.021 95 1HG PRO 13 2HG PRO 13 -23.581 -27.915 -27.915 96 2HG PRO 13 1HG PRO 13 -23.142 -27.779 -27.779 97 1HD PRO 13 2HD PRO 13 -25.842 -27.904 -27.904 98 2HD PRO 13 1HD PRO 13 -25.303 -26.998 -26.998 99 H MET 14 H MET 14 -26.541 -30.662 -30.662 100 HA MET 14 HA MET 14 -26.178 -33.495 -33.495 101 1HB MET 14 2HB MET 14 -28.595 -31.929 -31.929 102 2HB MET 14 1HB MET 14 -28.065 -33.503 -33.503 103 1HG MET 14 2HG MET 14 -26.034 -32.432 -32.432 104 2HG MET 14 1HG MET 14 -26.684 -30.867 -30.867 105 1HE MET 14 1HE MET 14 -26.958 -33.951 -33.951 106 2HE MET 14 3HE MET 14 -28.229 -33.588 -33.588 107 3HE MET 14 2HE MET 14 -28.650 -34.010 -34.010 108 H SER 15 H SER 15 -28.243 -31.320 -31.320 109 HA SER 15 HA SER 15 -30.162 -33.144 -33.144 110 1HB SER 15 2HB SER 15 -30.801 -31.507 -31.507 111 2HB SER 15 1HB SER 15 -30.076 -30.567 -30.567 112 HG SER 15 HG SER 15 -28.082 -30.717 -30.717 113 H ALA 16 H ALA 16 -26.889 -32.535 -32.535 114 HA ALA 16 HA ALA 16 -27.084 -34.850 -34.850 115 1HB ALA 16 1HB ALA 16 -27.342 -32.635 -32.635 116 2HB ALA 16 3HB ALA 16 -25.630 -32.390 -32.390 117 3HB ALA 16 2HB ALA 16 -26.147 -33.787 -33.787 118 H ILE 17 H ILE 17 -25.983 -35.740 -35.740 119 HA ILE 17 HA ILE 17 -23.263 -34.882 -34.882 120 HB ILE 17 HB ILE 17 -24.575 -37.369 -37.369 121 1HG1 ILE 17 2HG1 ILE 17 -24.624 -34.598 -34.598 122 2HG1 ILE 17 1HG1 ILE 17 -25.996 -35.372 -35.372 123 1HG2 ILE 17 1HG2 ILE 17 -22.214 -35.699 -35.699 124 2HG2 ILE 17 3HG2 ILE 17 -23.007 -36.779 -36.779 125 3HG2 ILE 17 2HG2 ILE 17 -22.287 -37.430 -37.430 126 1HD1 ILE 17 2HD1 ILE 17 -25.695 -37.233 -37.233 127 2HD1 ILE 17 1HD1 ILE 17 -24.669 -36.087 -36.087 128 3HD1 ILE 17 3HD1 ILE 17 -26.360 -35.696 -35.696 129 H GLN 18 H GLN 18 -22.182 -35.262 -35.262 130 HA GLN 18 HA GLN 18 -21.261 -37.961 -37.961 131 1HB GLN 18 2HB GLN 18 -23.387 -36.946 -36.946 132 2HB GLN 18 1HB GLN 18 -21.961 -37.267 -37.267 133 1HG GLN 18 2HG GLN 18 -22.074 -39.507 -39.507 134 2HG GLN 18 1HG GLN 18 -23.783 -39.118 -39.118 135 1HE2 GLN 18 2HE2 GLN 18 -21.987 -41.047 -41.047 136 2HE2 GLN 18 1HE2 GLN 18 -21.499 -40.977 -40.977 137 H ASN 19 H ASN 19 -20.177 -35.313 -35.313 138 HA ASN 19 HA ASN 19 -18.648 -34.532 -34.532 139 1HB ASN 19 2HB ASN 19 -18.774 -33.539 -33.539 140 2HB ASN 19 1HB ASN 19 -17.543 -32.967 -32.967 141 1HD2 ASN 19 2HD2 ASN 19 -20.651 -30.819 -30.819 142 2HD2 ASN 19 1HD2 ASN 19 -19.715 -31.520 -31.520 143 H LEU 20 H LEU 20 -17.234 -34.838 -34.838 144 HA LEU 20 HA LEU 20 -15.814 -37.199 -37.199 145 1HB LEU 20 2HB LEU 20 -14.717 -36.249 -36.249 146 2HB LEU 20 1HB LEU 20 -14.342 -34.779 -34.779 147 HG LEU 20 HG LEU 20 -12.733 -35.933 -35.933 148 1HD1 LEU 20 3HD1 LEU 20 -13.989 -38.349 -38.349 149 2HD1 LEU 20 2HD1 LEU 20 -12.272 -38.407 -38.407 150 3HD1 LEU 20 1HD1 LEU 20 -13.456 -38.044 -38.044 151 1HD2 LEU 20 3HD2 LEU 20 -12.552 -36.313 -36.313 152 2HD2 LEU 20 2HD2 LEU 20 -11.663 -35.205 -35.205 153 3HD2 LEU 20 1HD2 LEU 20 -11.272 -36.925 -36.925 154 H HIS 21 H HIS 21 -14.450 -34.017 -34.017 155 HA HIS 21 HA HIS 21 -14.404 -34.850 -34.850 156 1HB HIS 21 2HB HIS 21 -12.298 -33.427 -33.427 157 2HB HIS 21 1HB HIS 21 -12.150 -34.948 -34.948 158 HD1 HIS 21 HD1 HIS 21 -13.258 -31.490 -31.490 159 HD2 HIS 21 HD2 HIS 21 -10.495 -34.457 -34.457 160 HE1 HIS 21 HE1 HIS 21 -12.041 -30.671 -30.671 161 HE2 HIS 21 HE2 HIS 21 -10.410 -32.506 -32.506 162 H SER 22 H SER 22 -13.727 -32.700 -32.700 163 HA SER 22 HA SER 22 -16.005 -31.078 -31.078 164 1HB SER 22 2HB SER 22 -14.464 -31.439 -31.439 165 2HB SER 22 1HB SER 22 -13.301 -30.370 -30.370 166 HG SER 22 HG SER 22 -15.398 -29.719 -29.719 167 H PHE 23 H PHE 23 -16.577 -29.757 -29.757 168 HA PHE 23 HA PHE 23 -14.849 -28.652 -28.652 169 1HB PHE 23 2HB PHE 23 -16.825 -27.087 -27.087 170 2HB PHE 23 1HB PHE 23 -17.126 -28.815 -28.815 171 HD1 PHE 23 HD1 PHE 23 -17.431 -25.996 -25.996 172 HD2 PHE 23 HD2 PHE 23 -18.878 -29.797 -29.797 173 HE1 PHE 23 HE1 PHE 23 -19.290 -25.812 -25.812 174 HE2 PHE 23 HE2 PHE 23 -20.740 -29.619 -29.619 175 HZ PHE 23 HZ PHE 23 -20.948 -27.624 -27.624 176 H ASP 24 H ASP 24 -13.963 -26.612 -26.612 177 HA ASP 24 HA ASP 24 -13.892 -24.960 -24.960 178 1HB ASP 24 2HB ASP 24 -11.745 -25.285 -25.285 179 2HB ASP 24 1HB ASP 24 -11.639 -24.245 -24.245 180 HA PRO 25 HA PRO 25 -15.706 -21.555 -21.555 181 1HB PRO 25 2HB PRO 25 -13.564 -19.903 -19.903 182 2HB PRO 25 1HB PRO 25 -15.319 -19.698 -19.698 183 1HG PRO 25 2HG PRO 25 -13.989 -20.623 -20.623 184 2HG PRO 25 1HG PRO 25 -15.585 -21.265 -21.265 185 1HD PRO 25 2HD PRO 25 -12.883 -22.472 -22.472 186 2HD PRO 25 1HD PRO 25 -14.423 -23.257 -23.257 187 H PHE 26 H PHE 26 -12.282 -22.186 -22.186 188 HA PHE 26 HA PHE 26 -12.130 -20.620 -20.620 189 1HB PHE 26 2HB PHE 26 -9.650 -21.680 -21.680 190 2HB PHE 26 1HB PHE 26 -9.924 -20.156 -20.156 191 HD1 PHE 26 HD1 PHE 26 -10.609 -21.940 -21.940 192 HD2 PHE 26 HD2 PHE 26 -10.235 -18.189 -18.189 193 HE1 PHE 26 HE1 PHE 26 -10.743 -20.788 -20.788 194 HE2 PHE 26 HE2 PHE 26 -10.369 -17.031 -17.031 195 HZ PHE 26 HZ PHE 26 -10.623 -18.331 -18.331 196 H ALA 27 H ALA 27 -13.259 -23.329 -23.329 197 HA ALA 27 HA ALA 27 -11.458 -25.274 -25.274 198 1HB ALA 27 1HB ALA 27 -14.463 -25.152 -25.152 199 2HB ALA 27 3HB ALA 27 -13.476 -26.576 -26.576 200 3HB ALA 27 2HB ALA 27 -13.530 -25.899 -25.899 201 H ASP 28 H ASP 28 -10.351 -24.076 -24.076 202 HA ASP 28 HA ASP 28 -11.894 -23.721 -23.721 203 1HB ASP 28 2HB ASP 28 -10.124 -22.019 -22.019 204 2HB ASP 28 1HB ASP 28 -9.072 -22.859 -22.859 205 H ALA 29 H ALA 29 -9.299 -25.544 -25.544 206 HA ALA 29 HA ALA 29 -8.135 -27.370 -27.370 207 1HB ALA 29 3HB ALA 29 -10.461 -28.110 -28.110 208 2HB ALA 29 2HB ALA 29 -10.099 -27.586 -27.586 209 3HB ALA 29 1HB ALA 29 -9.151 -28.874 -28.874 210 H SER 30 H SER 30 -6.501 -27.988 -27.988 211 HA SER 30 HA SER 30 -4.830 -27.607 -27.607 212 1HB SER 30 2HB SER 30 -5.445 -27.167 -27.167 213 2HB SER 30 1HB SER 30 -6.938 -27.805 -27.805 214 HG SER 30 HG SER 30 -6.283 -25.177 -25.177 215 H LYS 31 H LYS 31 -4.204 -25.507 -25.507 216 HA LYS 31 HA LYS 31 -3.237 -23.448 -23.448 217 1HB LYS 31 2HB LYS 31 -5.779 -23.013 -23.013 218 2HB LYS 31 1HB LYS 31 -4.839 -22.328 -22.328 219 1HG LYS 31 2HG LYS 31 -4.774 -20.469 -20.469 220 2HG LYS 31 1HG LYS 31 -3.593 -21.310 -21.310 221 1HD LYS 31 2HD LYS 31 -5.376 -20.331 -20.331 222 2HD LYS 31 1HD LYS 31 -5.388 -22.092 -22.092 223 1HE LYS 31 2HE LYS 31 -7.416 -22.253 -22.253 224 2HE LYS 31 1HE LYS 31 -7.055 -21.012 -21.012 225 1HZ LYS 31 3HZ LYS 31 -7.285 -19.436 -19.436 226 2HZ LYS 31 2HZ LYS 31 -8.174 -20.710 -20.710 227 3HZ LYS 31 1HZ LYS 31 -8.672 -20.003 -20.003 228 H GLY 32 H GLY 32 -1.238 -23.264 -23.264 229 1HA GLY 32 2HA GLY 32 -0.020 -22.295 -22.295 230 2HA GLY 32 1HA GLY 32 -0.816 -23.551 -23.551 231 H ASP 33 H ASP 33 -0.539 -25.723 -25.723 232 HA ASP 33 HA ASP 33 2.316 -25.974 -25.974 233 1HB ASP 33 2HB ASP 33 0.841 -27.877 -27.877 234 2HB ASP 33 1HB ASP 33 2.514 -28.033 -28.033 235 H ASP 34 H ASP 34 -0.017 -25.859 -25.859 236 HA ASP 34 HA ASP 34 0.249 -28.479 -28.479 237 1HB ASP 34 2HB ASP 34 -2.225 -27.172 -27.172 238 2HB ASP 34 1HB ASP 34 -2.300 -27.839 -27.839 239 H LEU 35 H LEU 35 -1.295 -25.303 -25.303 240 HA LEU 35 HA LEU 35 -0.095 -25.280 -25.280 241 1HB LEU 35 2HB LEU 35 -2.773 -25.044 -25.044 242 2HB LEU 35 1HB LEU 35 -2.278 -23.406 -23.406 243 HG LEU 35 HG LEU 35 -3.262 -24.528 -24.528 244 1HD1 LEU 35 2HD1 LEU 35 -0.400 -23.690 -23.690 245 2HD1 LEU 35 1HD1 LEU 35 -1.148 -24.301 -24.301 246 3HD1 LEU 35 3HD1 LEU 35 -1.817 -22.882 -22.882 247 1HD2 LEU 35 2HD2 LEU 35 -2.109 -26.786 -26.786 248 2HD2 LEU 35 1HD2 LEU 35 -2.625 -26.546 -26.546 249 3HD2 LEU 35 3HD2 LEU 35 -0.935 -26.310 -26.310 250 H LEU 36 H LEU 36 1.646 -24.015 -24.015 251 HA LEU 36 HA LEU 36 2.146 -21.960 -21.960 252 1HB LEU 36 2HB LEU 36 3.384 -22.702 -22.702 253 2HB LEU 36 1HB LEU 36 3.921 -21.289 -21.289 254 HG LEU 36 HG LEU 36 5.379 -23.186 -23.186 255 1HD1 LEU 36 3HD1 LEU 36 4.579 -21.471 -21.471 256 2HD1 LEU 36 2HD1 LEU 36 3.846 -22.902 -22.902 257 3HD1 LEU 36 1HD1 LEU 36 5.586 -22.850 -22.850 258 1HD2 LEU 36 1HD2 LEU 36 3.508 -24.876 -24.876 259 2HD2 LEU 36 3HD2 LEU 36 4.664 -25.226 -25.226 260 3HD2 LEU 36 2HD2 LEU 36 3.070 -24.588 -24.588 261 HA PRO 37 HA PRO 37 -0.099 -18.575 -18.575 262 1HB PRO 37 2HB PRO 37 1.261 -16.493 -16.493 263 2HB PRO 37 1HB PRO 37 0.229 -17.538 -17.538 264 1HG PRO 37 2HG PRO 37 3.205 -17.583 -17.583 265 2HG PRO 37 1HG PRO 37 2.242 -17.746 -17.746 266 1HD PRO 37 2HD PRO 37 3.308 -19.875 -19.875 267 2HD PRO 37 1HD PRO 37 1.797 -19.970 -19.970 268 H ALA 38 H ALA 38 0.094 -18.311 -18.311 269 HA ALA 38 HA ALA 38 2.447 -16.854 -16.854 270 1HB ALA 38 1HB ALA 38 2.142 -19.505 -19.505 271 2HB ALA 38 3HB ALA 38 1.334 -18.800 -18.800 272 3HB ALA 38 2HB ALA 38 3.012 -18.385 -18.385 273 H GLY 39 H GLY 39 1.813 -15.013 -15.013 274 1HA GLY 39 2HA GLY 39 0.471 -14.281 -14.281 275 2HA GLY 39 1HA GLY 39 -0.904 -14.864 -14.864 276 H THR 40 H THR 40 -0.270 -13.942 -13.942 277 HA THR 40 HA THR 40 -0.443 -11.032 -11.032 278 HB THR 40 HB THR 40 -1.348 -11.655 -11.655 279 HG1 THR 40 HG1 THR 40 -2.587 -13.343 -13.343 280 1HG2 THR 40 2HG2 THR 40 -2.199 -10.013 -10.013 281 2HG2 THR 40 1HG2 THR 40 -3.293 -11.346 -11.346 282 3HG2 THR 40 3HG2 THR 40 -3.288 -10.631 -10.631 283 H GLU 41 H GLU 41 1.482 -13.494 -13.494 284 HA GLU 41 HA GLU 41 3.375 -13.490 -13.490 285 1HB GLU 41 2HB GLU 41 3.335 -10.947 -10.947 286 2HB GLU 41 1HB GLU 41 4.162 -10.818 -10.818 287 1HG GLU 41 2HG GLU 41 4.810 -12.995 -12.995 288 2HG GLU 41 1HG GLU 41 5.550 -11.399 -11.399 289 H ASP 42 H ASP 42 0.644 -12.706 -12.706 290 HA ASP 42 HA ASP 42 -0.251 -12.067 -12.067 291 1HB ASP 42 2HB ASP 42 1.222 -14.055 -14.055 292 2HB ASP 42 1HB ASP 42 2.412 -12.893 -12.893 293 H TYR 43 H TYR 43 0.161 -9.816 -9.816 294 HA TYR 43 HA TYR 43 2.192 -8.177 -8.177 295 1HB TYR 43 2HB TYR 43 -0.434 -7.378 -7.378 296 2HB TYR 43 1HB TYR 43 0.921 -6.300 -6.300 297 HD1 TYR 43 HD1 TYR 43 2.987 -8.573 -8.573 298 HD2 TYR 43 HD2 TYR 43 -0.421 -6.798 -6.798 299 HE1 TYR 43 HE1 TYR 43 3.914 -9.087 -9.087 300 HE2 TYR 43 HE2 TYR 43 0.498 -7.318 -7.318 301 HH TYR 43 HH TYR 43 2.476 -9.391 -9.391 302 H ILE 44 H ILE 44 1.510 -6.072 -6.072 303 HA ILE 44 HA ILE 44 -0.293 -6.815 -6.815 304 HB ILE 44 HB ILE 44 2.135 -5.022 -5.022 305 1HG1 ILE 44 2HG1 ILE 44 2.952 -7.226 -7.226 306 2HG1 ILE 44 1HG1 ILE 44 2.885 -6.846 -6.846 307 1HG2 ILE 44 2HG2 ILE 44 -0.019 -5.673 -5.673 308 2HG2 ILE 44 1HG2 ILE 44 1.611 -5.311 -5.311 309 3HG2 ILE 44 3HG2 ILE 44 0.721 -4.116 -4.116 310 1HD1 ILE 44 2HD1 ILE 44 0.571 -7.978 -7.978 311 2HD1 ILE 44 1HD1 ILE 44 1.140 -8.668 -8.668 312 3HD1 ILE 44 3HD1 ILE 44 2.021 -8.982 -8.982 313 H HIS 45 H HIS 45 -2.143 -5.884 -5.884 314 HA HIS 45 HA HIS 45 -2.352 -3.363 -3.363 315 1HB HIS 45 2HB HIS 45 -4.085 -5.497 -5.497 316 2HB HIS 45 1HB HIS 45 -4.783 -3.991 -3.991 317 HD1 HIS 45 HD1 HIS 45 -3.792 -5.747 -5.747 318 HD2 HIS 45 HD2 HIS 45 -5.827 -2.333 -2.333 319 HE1 HIS 45 HE1 HIS 45 -4.924 -4.869 -4.869 320 HE2 HIS 45 HE2 HIS 45 -6.194 -2.832 -2.832 321 H ILE 46 H ILE 46 -2.206 -1.408 -1.408 322 HA ILE 46 HA ILE 46 -2.154 -1.005 -1.005 323 HB ILE 46 HB ILE 46 -1.751 0.946 0.946 324 1HG1 ILE 46 2HG1 ILE 46 -0.027 -0.840 -0.840 325 2HG1 ILE 46 1HG1 ILE 46 0.592 0.793 0.793 326 1HG2 ILE 46 2HG2 ILE 46 -1.790 1.320 1.320 327 2HG2 ILE 46 1HG2 ILE 46 -0.696 2.291 2.291 328 3HG2 ILE 46 3HG2 ILE 46 -2.436 2.357 2.357 329 1HD1 ILE 46 2HD1 ILE 46 0.105 0.321 0.321 330 2HD1 ILE 46 1HD1 ILE 46 0.172 -1.364 -1.364 331 3HD1 ILE 46 3HD1 ILE 46 1.564 -0.309 -0.309 332 H ARG 47 H ARG 47 -3.551 1.517 1.517 333 HA ARG 47 HA ARG 47 -5.725 2.186 2.186 334 1HB ARG 47 2HB ARG 47 -6.262 -0.336 -0.336 335 2HB ARG 47 1HB ARG 47 -6.845 0.424 0.424 336 1HG ARG 47 2HG ARG 47 -7.730 1.285 1.285 337 2HG ARG 47 1HG ARG 47 -8.557 0.038 0.038 338 1HD ARG 47 2HD ARG 47 -8.193 2.226 2.226 339 2HD ARG 47 1HD ARG 47 -8.758 2.892 2.892 340 HE ARG 47 HE ARG 47 -10.311 1.489 1.489 341 1HH1 ARG 47 2HH1 ARG 47 -9.817 1.718 1.718 342 2HH1 ARG 47 1HH1 ARG 47 -11.433 1.233 1.233 343 1HH2 ARG 47 1HH2 ARG 47 -12.437 0.854 0.854 344 2HH2 ARG 47 2HH2 ARG 47 -12.921 0.744 0.744 345 H ILE 48 H ILE 48 -6.336 4.036 4.036 346 HA ILE 48 HA ILE 48 -5.971 4.663 4.663 347 HB ILE 48 HB ILE 48 -5.681 6.308 6.308 348 1HG1 ILE 48 2HG1 ILE 48 -4.163 6.146 6.146 349 2HG1 ILE 48 1HG1 ILE 48 -3.675 5.458 5.458 350 1HG2 ILE 48 1HG2 ILE 48 -6.519 7.411 7.411 351 2HG2 ILE 48 3HG2 ILE 48 -5.798 8.383 8.383 352 3HG2 ILE 48 2HG2 ILE 48 -7.348 7.586 7.586 353 1HD1 ILE 48 1HD1 ILE 48 -4.063 8.403 8.403 354 2HD1 ILE 48 3HD1 ILE 48 -2.517 7.576 7.576 355 3HD1 ILE 48 2HD1 ILE 48 -3.306 7.607 7.607 356 H GLN 49 H GLN 49 -7.618 5.990 5.990 357 HA GLN 49 HA GLN 49 -10.167 6.117 6.117 358 1HB GLN 49 2HB GLN 49 -11.385 5.231 5.231 359 2HB GLN 49 1HB GLN 49 -10.282 4.049 4.049 360 1HG GLN 49 2HG GLN 49 -9.126 3.868 3.868 361 2HG GLN 49 1HG GLN 49 -9.074 5.613 5.613 362 1HE2 GLN 49 2HE2 GLN 49 -12.242 3.492 3.492 363 2HE2 GLN 49 1HE2 GLN 49 -11.450 2.975 2.975 364 H GLN 50 H GLN 50 -10.106 8.315 8.315 365 HA GLN 50 HA GLN 50 -9.901 9.841 9.841 366 1HB GLN 50 2HB GLN 50 -8.761 10.272 10.272 367 2HB GLN 50 1HB GLN 50 -10.105 11.404 11.404 368 1HG GLN 50 2HG GLN 50 -9.270 12.491 12.491 369 2HG GLN 50 1HG GLN 50 -8.104 11.207 11.207 370 1HE2 GLN 50 2HE2 GLN 50 -6.060 13.811 13.811 371 2HE2 GLN 50 1HE2 GLN 50 -6.854 13.357 13.357 372 H ARG 51 H ARG 51 -11.668 10.668 10.668 373 HA ARG 51 HA ARG 51 -14.204 10.455 10.455 374 1HB ARG 51 2HB ARG 51 -13.340 10.579 10.579 375 2HB ARG 51 1HB ARG 51 -14.822 11.462 11.462 376 1HG ARG 51 2HG ARG 51 -15.459 9.289 9.289 377 2HG ARG 51 1HG ARG 51 -15.694 9.370 9.370 378 1HD ARG 51 2HD ARG 51 -13.212 8.441 8.441 379 2HD ARG 51 1HD ARG 51 -13.697 7.843 7.843 380 HE ARG 51 HE ARG 51 -14.489 6.808 6.808 381 1HH1 ARG 51 2HH1 ARG 51 -15.641 7.365 7.365 382 2HH1 ARG 51 1HH1 ARG 51 -16.794 6.073 6.073 383 1HH2 ARG 51 1HH2 ARG 51 -16.004 5.109 5.109 384 2HH2 ARG 51 2HH2 ARG 51 -17.000 4.792 4.792 385 H ASN 52 H ASN 52 -15.262 12.106 12.106 386 HA ASN 52 HA ASN 52 -15.702 14.202 14.202 387 1HB ASN 52 2HB ASN 52 -16.593 14.312 14.312 388 2HB ASN 52 1HB ASN 52 -15.066 15.032 15.032 389 1HD2 ASN 52 2HD2 ASN 52 -15.923 18.227 18.227 390 2HD2 ASN 52 1HD2 ASN 52 -14.828 17.158 17.158 391 H GLY 53 H GLY 53 -12.913 13.284 13.284 392 1HA GLY 53 2HA GLY 53 -11.025 14.230 14.230 393 2HA GLY 53 1HA GLY 53 -11.741 15.817 15.817 394 H ARG 54 H ARG 54 -11.679 13.807 13.807 395 HA ARG 54 HA ARG 54 -9.119 14.842 14.842 396 1HB ARG 54 2HB ARG 54 -10.039 15.808 15.808 397 2HB ARG 54 1HB ARG 54 -10.798 16.552 16.552 398 1HG ARG 54 2HG ARG 54 -12.833 15.579 15.579 399 2HG ARG 54 1HG ARG 54 -12.131 14.226 14.226 400 1HD ARG 54 2HD ARG 54 -11.473 15.932 15.932 401 2HD ARG 54 1HD ARG 54 -12.542 17.056 17.056 402 HE ARG 54 HE ARG 54 -13.963 14.702 14.702 403 1HH1 ARG 54 2HH1 ARG 54 -12.530 17.351 17.351 404 2HH1 ARG 54 1HH1 ARG 54 -13.655 17.250 17.250 405 1HH2 ARG 54 1HH2 ARG 54 -15.446 14.569 14.569 406 2HH2 ARG 54 2HH2 ARG 54 -15.310 15.671 15.671 407 H LYS 55 H LYS 55 -9.035 14.094 14.094 408 HA LYS 55 HA LYS 55 -8.441 12.198 12.198 409 1HB LYS 55 2HB LYS 55 -11.353 11.617 11.617 410 2HB LYS 55 1HB LYS 55 -10.395 10.878 10.878 411 1HG LYS 55 2HG LYS 55 -11.129 13.789 13.789 412 2HG LYS 55 1HG LYS 55 -11.786 12.623 12.623 413 1HD LYS 55 2HD LYS 55 -8.901 13.493 13.493 414 2HD LYS 55 1HD LYS 55 -10.079 14.065 14.065 415 1HE LYS 55 2HE LYS 55 -10.363 11.475 11.475 416 2HE LYS 55 1HE LYS 55 -8.729 11.423 11.423 417 1HZ LYS 55 3HZ LYS 55 -9.360 13.361 13.361 418 2HZ LYS 55 2HZ LYS 55 -9.102 11.742 11.742 419 3HZ LYS 55 1HZ LYS 55 -7.886 12.617 12.617 420 H THR 56 H THR 56 -7.026 11.399 11.399 421 HA THR 56 HA THR 56 -8.076 9.349 9.349 422 HB THR 56 HB THR 56 -5.172 9.635 9.635 423 HG1 THR 56 HG1 THR 56 -5.010 11.711 11.711 424 1HG2 THR 56 2HG2 THR 56 -7.199 9.230 9.230 425 2HG2 THR 56 1HG2 THR 56 -6.152 10.570 10.570 426 3HG2 THR 56 3HG2 THR 56 -5.454 8.988 8.988 427 H LEU 57 H LEU 57 -7.337 7.183 7.183 428 HA LEU 57 HA LEU 57 -5.861 6.222 6.222 429 1HB LEU 57 2HB LEU 57 -8.714 5.986 5.986 430 2HB LEU 57 1HB LEU 57 -7.976 4.396 4.396 431 HG LEU 57 HG LEU 57 -6.786 5.170 5.170 432 1HD1 LEU 57 3HD1 LEU 57 -8.595 7.441 7.441 433 2HD1 LEU 57 2HD1 LEU 57 -8.500 6.880 6.880 434 3HD1 LEU 57 1HD1 LEU 57 -7.039 7.398 7.398 435 1HD2 LEU 57 3HD2 LEU 57 -9.371 4.068 4.068 436 2HD2 LEU 57 2HD2 LEU 57 -8.271 3.767 3.767 437 3HD2 LEU 57 1HD2 LEU 57 -9.443 5.082 5.082 438 H THR 58 H THR 58 -4.229 5.662 5.662 439 HA THR 58 HA THR 58 -4.660 4.092 4.092 440 HB THR 58 HB THR 58 -2.056 3.960 3.960 441 HG1 THR 58 HG1 THR 58 -3.297 6.315 6.315 442 1HG2 THR 58 2HG2 THR 58 -2.849 3.412 3.412 443 2HG2 THR 58 1HG2 THR 58 -2.076 4.993 4.993 444 3HG2 THR 58 3HG2 THR 58 -1.191 3.633 3.633 445 H THR 59 H THR 59 -5.116 1.986 1.986 446 HA THR 59 HA THR 59 -4.673 0.296 0.296 447 HB THR 59 HB THR 59 -6.227 -1.219 -1.219 448 HG1 THR 59 HG1 THR 59 -7.264 0.006 0.006 449 1HG2 THR 59 3HG2 THR 59 -6.714 0.451 0.451 450 2HG2 THR 59 2HG2 THR 59 -8.145 0.141 0.141 451 3HG2 THR 59 1HG2 THR 59 -7.207 -1.208 -1.208 452 H VAL 60 H VAL 60 -4.009 -1.932 -1.932 453 HA VAL 60 HA VAL 60 -2.356 -2.287 -2.287 454 HB VAL 60 HB VAL 60 -1.597 -3.091 -3.091 455 1HG1 VAL 60 3HG1 VAL 60 -0.840 -4.685 -4.685 456 2HG1 VAL 60 2HG1 VAL 60 -0.012 -3.359 -3.359 457 3HG1 VAL 60 1HG1 VAL 60 0.496 -3.857 -3.857 458 1HG2 VAL 60 2HG2 VAL 60 -0.815 -0.823 -0.823 459 2HG2 VAL 60 1HG2 VAL 60 -1.176 -0.828 -0.828 460 3HG2 VAL 60 3HG2 VAL 60 0.356 -1.480 -1.480 461 H GLN 61 H GLN 61 -3.155 -3.907 -3.907 462 HA GLN 61 HA GLN 61 -4.210 -6.257 -6.257 463 1HB GLN 61 2HB GLN 61 -5.155 -6.155 -6.155 464 2HB GLN 61 1HB GLN 61 -6.080 -6.188 -6.188 465 1HG GLN 61 2HG GLN 61 -5.668 -3.686 -3.686 466 2HG GLN 61 1HG GLN 61 -5.107 -3.802 -3.802 467 1HE2 GLN 61 2HE2 GLN 61 -8.565 -5.139 -5.139 468 2HE2 GLN 61 1HE2 GLN 61 -7.037 -5.929 -5.929 469 H GLY 62 H GLY 62 -3.539 -8.264 -8.264 470 1HA GLY 62 2HA GLY 62 -2.569 -9.700 -9.700 471 2HA GLY 62 1HA GLY 62 -1.529 -8.346 -8.346 472 H ILE 63 H ILE 63 -1.129 -7.679 -7.679 473 HA ILE 63 HA ILE 63 1.245 -9.132 -9.132 474 HB ILE 63 HB ILE 63 -0.362 -7.285 -7.285 475 1HG1 ILE 63 2HG1 ILE 63 0.691 -5.941 -5.941 476 2HG1 ILE 63 1HG1 ILE 63 1.930 -6.003 -6.003 477 1HG2 ILE 63 2HG2 ILE 63 1.877 -9.026 -9.026 478 2HG2 ILE 63 1HG2 ILE 63 2.016 -7.343 -7.343 479 3HG2 ILE 63 3HG2 ILE 63 0.616 -8.300 -8.300 480 1HD1 ILE 63 1HD1 ILE 63 3.050 -7.797 -7.797 481 2HD1 ILE 63 3HD1 ILE 63 1.844 -7.593 -7.593 482 3HD1 ILE 63 2HD1 ILE 63 2.940 -6.268 -6.268 483 H ALA 64 H ALA 64 1.784 -10.672 -10.672 484 HA ALA 64 HA ALA 64 -0.270 -12.593 -12.593 485 1HB ALA 64 3HB ALA 64 2.298 -12.905 -12.905 486 2HB ALA 64 2HB ALA 64 2.418 -12.817 -12.817 487 3HB ALA 64 1HB ALA 64 1.414 -14.055 -14.055 488 H ASP 65 H ASP 65 -1.087 -13.249 -13.249 489 HA ASP 65 HA ASP 65 -1.311 -11.225 -11.225 490 1HB ASP 65 2HB ASP 65 -3.019 -13.066 -13.066 491 2HB ASP 65 1HB ASP 65 -2.150 -14.071 -14.071 492 H ASP 66 H ASP 66 1.050 -13.538 -13.538 493 HA ASP 66 HA ASP 66 1.738 -13.908 -13.908 494 1HB ASP 66 2HB ASP 66 3.162 -15.003 -15.003 495 2HB ASP 66 1HB ASP 66 3.342 -15.535 -15.535 496 H TYR 67 H TYR 67 1.996 -11.295 -11.295 497 HA TYR 67 HA TYR 67 4.871 -10.881 -10.881 498 1HB TYR 67 2HB TYR 67 2.481 -9.232 -9.232 499 2HB TYR 67 1HB TYR 67 4.052 -8.471 -8.471 500 HD1 TYR 67 HD2 TYR 67 4.055 -11.861 -11.861 501 HD2 TYR 67 HD1 TYR 67 3.845 -7.748 -7.748 502 HE1 TYR 67 HE2 TYR 67 4.639 -12.425 -12.425 503 HE2 TYR 67 HE1 TYR 67 4.419 -8.291 -8.291 504 HH TYR 67 HH TYR 67 5.700 -10.253 -10.253 505 H ASP 68 H ASP 68 3.181 -11.348 -11.348 506 HA ASP 68 HA ASP 68 3.010 -10.548 -10.548 507 1HB ASP 68 2HB ASP 68 5.699 -10.403 -10.403 508 2HB ASP 68 1HB ASP 68 5.389 -8.920 -8.920 509 H LYS 69 H LYS 69 1.206 -9.200 -9.200 510 HA LYS 69 HA LYS 69 0.919 -6.760 -6.760 511 1HB LYS 69 2HB LYS 69 -0.204 -7.928 -7.928 512 2HB LYS 69 1HB LYS 69 -0.576 -6.259 -6.259 513 1HG LYS 69 2HG LYS 69 -2.351 -7.509 -7.509 514 2HG LYS 69 1HG LYS 69 -1.332 -7.148 -7.148 515 1HD LYS 69 2HD LYS 69 -0.596 -9.322 -9.322 516 2HD LYS 69 1HD LYS 69 -0.886 -9.682 -9.682 517 1HE LYS 69 2HE LYS 69 -3.399 -9.221 -9.221 518 2HE LYS 69 1HE LYS 69 -2.752 -9.737 -9.737 519 1HZ LYS 69 3HZ LYS 69 -2.401 -11.312 -11.312 520 2HZ LYS 69 2HZ LYS 69 -3.706 -11.538 -11.538 521 3HZ LYS 69 1HZ LYS 69 -2.128 -11.813 -11.813 522 H LYS 70 H LYS 70 2.503 -7.404 -7.404 523 HA LYS 70 HA LYS 70 2.822 -4.738 -4.738 524 1HB LYS 70 2HB LYS 70 4.789 -6.957 -6.957 525 2HB LYS 70 1HB LYS 70 4.436 -5.552 -5.552 526 1HG LYS 70 2HG LYS 70 1.992 -6.797 -6.797 527 2HG LYS 70 1HG LYS 70 3.127 -8.145 -8.145 528 1HD LYS 70 2HD LYS 70 4.147 -7.001 -7.001 529 2HD LYS 70 1HD LYS 70 2.792 -5.872 -5.872 530 1HE LYS 70 2HE LYS 70 1.303 -7.415 -7.415 531 2HE LYS 70 1HE LYS 70 2.130 -8.756 -8.756 532 1HZ LYS 70 3HZ LYS 70 3.845 -8.644 -8.644 533 2HZ LYS 70 2HZ LYS 70 3.004 -7.398 -7.398 534 3HZ LYS 70 1HZ LYS 70 2.318 -8.940 -8.940 535 H LYS 71 H LYS 71 5.328 -6.870 -6.870 536 HA LYS 71 HA LYS 71 6.932 -4.607 -4.607 537 1HB LYS 71 2HB LYS 71 7.928 -6.742 -6.742 538 2HB LYS 71 1HB LYS 71 7.303 -7.540 -7.540 539 1HG LYS 71 2HG LYS 71 8.760 -6.373 -6.373 540 2HG LYS 71 1HG LYS 71 9.146 -5.180 -5.180 541 1HD LYS 71 2HD LYS 71 10.454 -6.718 -6.718 542 2HD LYS 71 1HD LYS 71 9.808 -8.095 -8.095 543 1HE LYS 71 2HE LYS 71 11.614 -5.933 -5.933 544 2HE LYS 71 1HE LYS 71 12.067 -7.601 -7.601 545 1HZ LYS 71 1HZ LYS 71 10.239 -8.190 -8.190 546 2HZ LYS 71 3HZ LYS 71 10.333 -6.575 -6.575 547 3HZ LYS 71 2HZ LYS 71 11.690 -7.576 -7.576 548 H LEU 72 H LEU 72 4.784 -4.007 -4.007 549 HA LEU 72 HA LEU 72 5.375 -4.381 -4.381 550 1HB LEU 72 2HB LEU 72 3.834 -6.290 -6.290 551 2HB LEU 72 1HB LEU 72 2.594 -5.057 -5.057 552 HG LEU 72 HG LEU 72 4.041 -5.970 -5.970 553 1HD1 LEU 72 3HD1 LEU 72 1.933 -7.126 -7.126 554 2HD1 LEU 72 2HD1 LEU 72 1.108 -5.985 -5.985 555 3HD1 LEU 72 1HD1 LEU 72 2.215 -7.179 -7.179 556 1HD2 LEU 72 1HD2 LEU 72 2.185 -3.657 -3.657 557 2HD2 LEU 72 3HD2 LEU 72 3.753 -3.664 -3.664 558 3HD2 LEU 72 2HD2 LEU 72 2.356 -4.405 -4.405 559 H VAL 73 H VAL 73 2.557 -3.390 -3.390 560 HA VAL 73 HA VAL 73 2.378 -0.913 -0.913 561 HB VAL 73 HB VAL 73 0.339 -2.230 -2.230 562 1HG1 VAL 73 2HG1 VAL 73 1.306 -2.704 -2.704 563 2HG1 VAL 73 1HG1 VAL 73 0.339 -1.282 -1.282 564 3HG1 VAL 73 3HG1 VAL 73 -0.428 -2.698 -2.698 565 1HG2 VAL 73 1HG2 VAL 73 0.568 0.410 0.410 566 2HG2 VAL 73 3HG2 VAL 73 -0.980 -0.382 -0.382 567 3HG2 VAL 73 2HG2 VAL 73 -0.064 0.303 0.303 568 H LYS 74 H LYS 74 3.201 -2.029 -2.029 569 HA LYS 74 HA LYS 74 3.171 0.453 0.453 570 1HB LYS 74 2HB LYS 74 5.042 -1.855 -1.855 571 2HB LYS 74 1HB LYS 74 4.567 -0.590 -0.590 572 1HG LYS 74 2HG LYS 74 2.474 -2.340 -2.340 573 2HG LYS 74 1HG LYS 74 3.467 -2.945 -2.945 574 1HD LYS 74 2HD LYS 74 2.367 -0.248 -0.248 575 2HD LYS 74 1HD LYS 74 1.165 -1.537 -1.537 576 1HE LYS 74 2HE LYS 74 1.735 -2.345 -2.345 577 2HE LYS 74 1HE LYS 74 3.459 -2.236 -2.236 578 1HZ LYS 74 1HZ LYS 74 2.103 0.288 0.288 579 2HZ LYS 74 3HZ LYS 74 2.231 -0.732 -0.732 580 3HZ LYS 74 2HZ LYS 74 3.623 -0.239 -0.239 581 H ALA 75 H ALA 75 5.661 -1.218 -1.218 582 HA ALA 75 HA ALA 75 7.768 0.581 0.581 583 1HB ALA 75 2HB ALA 75 7.295 -1.713 -1.713 584 2HB ALA 75 1HB ALA 75 8.111 -0.464 -0.464 585 3HB ALA 75 3HB ALA 75 8.824 -1.046 -1.046 586 H PHE 76 H PHE 76 5.037 0.674 0.674 587 HA PHE 76 HA PHE 76 5.918 2.557 2.557 588 1HB PHE 76 2HB PHE 76 3.705 1.185 1.185 589 2HB PHE 76 1HB PHE 76 3.088 2.561 2.561 590 HD1 PHE 76 HD1 PHE 76 4.442 1.481 1.481 591 HD2 PHE 76 HD2 PHE 76 2.582 4.629 4.629 592 HE1 PHE 76 HE1 PHE 76 4.017 2.682 2.682 593 HE2 PHE 76 HE2 PHE 76 2.153 5.832 5.832 594 HZ PHE 76 HZ PHE 76 2.872 4.857 4.857 595 H LYS 77 H LYS 77 4.064 3.096 3.096 596 HA LYS 77 HA LYS 77 4.138 5.910 5.910 597 1HB LYS 77 2HB LYS 77 3.898 4.167 4.167 598 2HB LYS 77 1HB LYS 77 3.409 5.851 5.851 599 1HG LYS 77 2HG LYS 77 1.381 5.046 5.046 600 2HG LYS 77 1HG LYS 77 2.022 4.670 4.670 601 1HD LYS 77 2HD LYS 77 1.254 2.601 2.601 602 2HD LYS 77 1HD LYS 77 2.846 2.487 2.487 603 1HE LYS 77 2HE LYS 77 1.589 1.822 1.822 604 2HE LYS 77 1HE LYS 77 1.516 3.564 3.564 605 1HZ LYS 77 1HZ LYS 77 -0.530 2.425 2.425 606 2HZ LYS 77 3HZ LYS 77 -0.634 2.034 2.034 607 3HZ LYS 77 2HZ LYS 77 -0.651 3.653 3.653 608 H LYS 78 H LYS 78 6.605 3.686 3.686 609 HA LYS 78 HA LYS 78 8.117 5.572 5.572 610 1HB LYS 78 2HB LYS 78 8.033 3.187 3.187 611 2HB LYS 78 1HB LYS 78 8.810 2.759 2.759 612 1HG LYS 78 2HG LYS 78 10.446 4.707 4.707 613 2HG LYS 78 1HG LYS 78 9.987 3.599 3.599 614 1HD LYS 78 2HD LYS 78 10.586 1.767 1.767 615 2HD LYS 78 1HD LYS 78 11.536 3.073 3.073 616 1HE LYS 78 2HE LYS 78 12.866 3.298 3.298 617 2HE LYS 78 1HE LYS 78 11.753 2.334 2.334 618 1HZ LYS 78 1HZ LYS 78 12.395 0.553 0.553 619 2HZ LYS 78 3HZ LYS 78 13.817 1.469 1.469 620 3HZ LYS 78 2HZ LYS 78 13.300 0.760 0.760 621 H LYS 79 H LYS 79 7.836 4.509 4.509 622 HA LYS 79 HA LYS 79 10.513 5.424 5.424 623 1HB LYS 79 2HB LYS 79 9.101 3.333 3.333 624 2HB LYS 79 1HB LYS 79 8.617 4.547 4.547 625 1HG LYS 79 2HG LYS 79 11.233 4.966 4.966 626 2HG LYS 79 1HG LYS 79 11.257 3.285 3.285 627 1HD LYS 79 2HD LYS 79 10.712 2.552 2.552 628 2HD LYS 79 1HD LYS 79 9.357 3.676 3.676 629 1HE LYS 79 2HE LYS 79 11.204 3.896 3.896 630 2HE LYS 79 1HE LYS 79 10.688 5.368 5.368 631 1HZ LYS 79 3HZ LYS 79 12.956 3.836 3.836 632 2HZ LYS 79 2HZ LYS 79 13.197 4.845 4.845 633 3HZ LYS 79 1HZ LYS 79 12.628 5.493 5.493 634 H PHE 80 H PHE 80 7.121 6.176 6.176 635 HA PHE 80 HA PHE 80 8.055 8.699 8.699 636 1HB PHE 80 2HB PHE 80 5.282 7.623 7.623 637 2HB PHE 80 1HB PHE 80 6.205 8.703 8.703 638 HD1 PHE 80 HD1 PHE 80 5.809 5.214 5.214 639 HD2 PHE 80 HD2 PHE 80 7.636 7.857 7.857 640 HE1 PHE 80 HE1 PHE 80 6.483 3.290 3.290 641 HE2 PHE 80 HE2 PHE 80 8.313 5.937 5.937 642 HZ PHE 80 HZ PHE 80 7.737 3.651 3.651 643 H ALA 81 H ALA 81 6.397 7.416 7.416 644 HA ALA 81 HA ALA 81 5.547 8.472 8.472 645 1HB ALA 81 3HB ALA 81 7.174 10.360 10.360 646 2HB ALA 81 2HB ALA 81 5.665 11.168 11.168 647 3HB ALA 81 1HB ALA 81 5.968 10.686 10.686 648 H CYS 82 H CYS 82 4.027 7.580 7.580 649 HA CYS 82 HA CYS 82 1.727 9.384 9.384 650 1HB CYS 82 2HB CYS 82 2.210 6.880 6.880 651 2HB CYS 82 1HB CYS 82 0.885 8.019 8.019 652 HG CYS 82 HG CYS 82 3.743 9.100 9.100 653 H ASN 83 H ASN 83 -0.369 7.708 7.708 654 HA ASN 83 HA ASN 83 -0.462 6.220 6.220 655 1HB ASN 83 2HB ASN 83 -2.263 8.133 8.133 656 2HB ASN 83 1HB ASN 83 -3.091 6.615 6.615 657 1HD2 ASN 83 2HD2 ASN 83 -1.246 8.223 8.223 658 2HD2 ASN 83 1HD2 ASN 83 -0.391 7.993 7.993 659 H GLY 84 H GLY 84 -0.173 4.134 4.134 660 1HA GLY 84 2HA GLY 84 -1.359 2.925 2.925 661 2HA GLY 84 1HA GLY 84 -0.024 2.250 2.250 662 H THR 85 H THR 85 -2.899 1.403 1.403 663 HA THR 85 HA THR 85 -3.494 0.182 0.182 664 HB THR 85 HB THR 85 -5.807 0.695 0.695 665 HG1 THR 85 HG1 THR 85 -6.831 1.314 1.314 666 1HG2 THR 85 3HG2 THR 85 -4.208 2.633 2.633 667 2HG2 THR 85 2HG2 THR 85 -4.700 3.278 3.278 668 3HG2 THR 85 1HG2 THR 85 -5.907 2.989 2.989 669 H VAL 86 H VAL 86 -5.135 -1.612 -1.612 670 HA VAL 86 HA VAL 86 -4.759 -3.015 -3.015 671 HB VAL 86 HB VAL 86 -3.432 -4.017 -4.017 672 1HG1 VAL 86 3HG1 VAL 86 -5.462 -3.409 -3.409 673 2HG1 VAL 86 2HG1 VAL 86 -5.836 -5.103 -5.103 674 3HG1 VAL 86 1HG1 VAL 86 -4.268 -4.656 -4.656 675 1HG2 VAL 86 3HG2 VAL 86 -5.579 -5.458 -5.458 676 2HG2 VAL 86 2HG2 VAL 86 -3.827 -5.649 -5.649 677 3HG2 VAL 86 1HG2 VAL 86 -4.727 -6.343 -6.343 678 H ILE 87 H ILE 87 -6.530 -4.019 -4.019 679 HA ILE 87 HA ILE 87 -8.985 -4.262 -4.262 680 HB ILE 87 HB ILE 87 -10.340 -3.068 -3.068 681 1HG1 ILE 87 2HG1 ILE 87 -7.808 -1.847 -1.847 682 2HG1 ILE 87 1HG1 ILE 87 -8.459 -3.322 -3.322 683 1HG2 ILE 87 2HG2 ILE 87 -9.587 -1.958 -1.958 684 2HG2 ILE 87 1HG2 ILE 87 -8.191 -1.327 -1.327 685 3HG2 ILE 87 3HG2 ILE 87 -9.819 -0.829 -0.829 686 1HD1 ILE 87 2HD1 ILE 87 -10.021 -0.770 -0.770 687 2HD1 ILE 87 1HD1 ILE 87 -9.108 -1.226 -1.226 688 3HD1 ILE 87 3HD1 ILE 87 -10.466 -2.217 -2.217 689 H GLU 88 H GLU 88 -10.429 -5.766 -5.766 690 HA GLU 88 HA GLU 88 -9.347 -7.434 -7.434 691 1HB GLU 88 2HB GLU 88 -10.044 -8.323 -8.323 692 2HB GLU 88 1HB GLU 88 -11.686 -8.190 -8.190 693 1HG GLU 88 2HG GLU 88 -11.111 -9.672 -9.672 694 2HG GLU 88 1HG GLU 88 -9.467 -9.808 -9.808 695 H HIS 89 H HIS 89 -10.076 -5.663 -5.663 696 HA HIS 89 HA HIS 89 -12.701 -4.942 -4.942 697 1HB HIS 89 2HB HIS 89 -10.402 -4.241 -4.241 698 2HB HIS 89 1HB HIS 89 -10.927 -5.388 -5.388 699 HD1 HIS 89 HD1 HIS 89 -12.577 -4.559 -4.559 700 HD2 HIS 89 HD2 HIS 89 -12.286 -2.054 -2.054 701 HE1 HIS 89 HE1 HIS 89 -13.953 -2.536 -2.536 702 HE2 HIS 89 HE2 HIS 89 -13.850 -1.081 -1.081 703 HA PRO 90 HA PRO 90 -14.526 -8.662 -8.662 704 1HB PRO 90 2HB PRO 90 -16.838 -7.668 -7.668 705 2HB PRO 90 1HB PRO 90 -16.479 -7.718 -7.718 706 1HG PRO 90 2HG PRO 90 -16.315 -5.419 -5.419 707 2HG PRO 90 1HG PRO 90 -16.916 -5.453 -5.453 708 1HD PRO 90 2HD PRO 90 -14.406 -4.586 -4.586 709 2HD PRO 90 1HD PRO 90 -14.825 -5.190 -5.190 710 H GLU 91 H GLU 91 -14.066 -5.850 -5.850 711 HA GLU 91 HA GLU 91 -14.623 -7.292 -7.292 712 1HB GLU 91 2HB GLU 91 -13.384 -4.558 -4.558 713 2HB GLU 91 1HB GLU 91 -14.197 -5.230 -5.230 714 1HG GLU 91 2HG GLU 91 -16.158 -5.405 -5.405 715 2HG GLU 91 1HG GLU 91 -15.307 -3.960 -3.960 716 H TYR 92 H TYR 92 -11.904 -6.655 -6.655 717 HA TYR 92 HA TYR 92 -10.099 -7.620 -7.620 718 1HB TYR 92 2HB TYR 92 -9.139 -6.140 -6.140 719 2HB TYR 92 1HB TYR 92 -8.361 -6.312 -6.312 720 HD1 TYR 92 HD1 TYR 92 -10.791 -5.596 -5.596 721 HD2 TYR 92 HD2 TYR 92 -9.080 -3.769 -3.769 722 HE1 TYR 92 HE1 TYR 92 -11.720 -3.434 -3.434 723 HE2 TYR 92 HE2 TYR 92 -10.005 -1.597 -1.597 724 HH TYR 92 HH TYR 92 -12.314 -1.299 -1.299 725 H GLY 93 H GLY 93 -10.627 -7.672 -7.672 726 1HA GLY 93 2HA GLY 93 -10.647 -9.617 -9.617 727 2HA GLY 93 1HA GLY 93 -9.865 -10.491 -10.491 728 H GLU 94 H GLU 94 -9.424 -8.643 -8.643 729 HA GLU 94 HA GLU 94 -7.623 -8.266 -8.266 730 1HB GLU 94 2HB GLU 94 -7.341 -10.807 -10.807 731 2HB GLU 94 1HB GLU 94 -5.875 -10.130 -10.130 732 1HG GLU 94 2HG GLU 94 -5.220 -10.917 -10.917 733 2HG GLU 94 1HG GLU 94 -5.414 -9.179 -9.179 734 H VAL 95 H VAL 95 -7.379 -6.138 -6.138 735 HA VAL 95 HA VAL 95 -4.897 -5.820 -5.820 736 HB VAL 95 HB VAL 95 -5.926 -3.869 -3.869 737 1HG1 VAL 95 2HG1 VAL 95 -5.708 -6.304 -6.304 738 2HG1 VAL 95 1HG1 VAL 95 -7.463 -6.340 -6.340 739 3HG1 VAL 95 3HG1 VAL 95 -6.701 -5.160 -5.160 740 1HG2 VAL 95 2HG2 VAL 95 -8.066 -4.389 -4.389 741 2HG2 VAL 95 1HG2 VAL 95 -7.964 -3.152 -3.152 742 3HG2 VAL 95 3HG2 VAL 95 -8.648 -4.732 -4.732 743 H ILE 96 H ILE 96 -3.627 -4.101 -4.101 744 HA ILE 96 HA ILE 96 -4.225 -2.946 -2.946 745 HB ILE 96 HB ILE 96 -1.855 -3.063 -3.063 746 1HG1 ILE 96 2HG1 ILE 96 -2.502 -4.487 -4.487 747 2HG1 ILE 96 1HG1 ILE 96 -0.827 -4.001 -4.001 748 1HG2 ILE 96 1HG2 ILE 96 -2.420 -0.736 -0.736 749 2HG2 ILE 96 3HG2 ILE 96 -0.769 -1.340 -1.340 750 3HG2 ILE 96 2HG2 ILE 96 -1.628 -0.787 -0.787 751 1HD1 ILE 96 2HD1 ILE 96 -1.393 -2.030 -2.030 752 2HD1 ILE 96 1HD1 ILE 96 -2.836 -2.950 -2.950 753 3HD1 ILE 96 3HD1 ILE 96 -1.240 -3.630 -3.630 754 H GLN 97 H GLN 97 -4.688 -0.822 -0.822 755 HA GLN 97 HA GLN 97 -5.361 0.850 0.850 756 1HB GLN 97 2HB GLN 97 -6.955 0.003 0.003 757 2HB GLN 97 1HB GLN 97 -6.681 1.724 1.724 758 1HG GLN 97 2HG GLN 97 -7.451 2.077 2.077 759 2HG GLN 97 1HG GLN 97 -7.889 0.369 0.369 760 1HE2 GLN 97 2HE2 GLN 97 -10.989 2.007 2.007 761 2HE2 GLN 97 1HE2 GLN 97 -9.937 1.745 1.745 762 H LEU 98 H LEU 98 -3.673 2.181 2.181 763 HA LEU 98 HA LEU 98 -2.307 3.400 3.400 764 1HB LEU 98 2HB LEU 98 -1.916 3.165 3.165 765 2HB LEU 98 1HB LEU 98 -1.458 4.727 4.727 766 HG LEU 98 HG LEU 98 0.297 3.864 3.864 767 1HD1 LEU 98 1HD1 LEU 98 -1.415 1.499 1.499 768 2HD1 LEU 98 3HD1 LEU 98 0.310 1.152 1.152 769 3HD1 LEU 98 2HD1 LEU 98 -0.284 2.215 2.215 770 1HD2 LEU 98 3HD2 LEU 98 -0.039 2.147 2.147 771 2HD2 LEU 98 2HD2 LEU 98 0.902 3.627 3.627 772 3HD2 LEU 98 1HD2 LEU 98 1.427 2.150 2.150 773 H GLN 99 H GLN 99 -1.960 5.863 5.863 774 HA GLN 99 HA GLN 99 -4.586 7.113 7.113 775 1HB GLN 99 2HB GLN 99 -2.805 7.176 7.176 776 2HB GLN 99 1HB GLN 99 -2.925 8.801 8.801 777 1HG GLN 99 2HG GLN 99 -5.494 7.442 7.442 778 2HG GLN 99 1HG GLN 99 -4.654 7.674 7.674 779 1HE2 GLN 99 2HE2 GLN 99 -6.228 10.817 10.817 780 2HE2 GLN 99 1HE2 GLN 99 -6.130 9.241 9.241 781 H GLY 100 H GLY 100 -4.770 8.909 8.909 782 1HA GLY 100 2HA GLY 100 -4.166 10.608 10.608 783 2HA GLY 100 1HA GLY 100 -2.538 10.515 10.515 784 H ASP 101 H ASP 101 -2.792 11.000 11.000 785 HA ASP 101 HA ASP 101 -2.867 8.678 8.678 786 1HB ASP 101 2HB ASP 101 -1.866 10.116 10.116 787 2HB ASP 101 1HB ASP 101 -3.250 10.874 10.874 788 H GLN 102 H GLN 102 -1.529 7.131 7.131 789 HA GLN 102 HA GLN 102 1.344 7.711 7.711 790 1HB GLN 102 2HB GLN 102 -0.443 5.991 5.991 791 2HB GLN 102 1HB GLN 102 1.031 5.181 5.181 792 1HG GLN 102 2HG GLN 102 1.074 6.307 6.307 793 2HG GLN 102 1HG GLN 102 2.395 6.697 6.697 794 1HE2 GLN 102 2HE2 GLN 102 -0.473 9.588 9.588 795 2HE2 GLN 102 1HE2 GLN 102 -0.882 7.943 7.943 796 H ARG 103 H ARG 103 -0.788 6.667 6.667 797 HA ARG 103 HA ARG 103 -0.058 4.215 4.215 798 1HB ARG 103 2HB ARG 103 -0.785 4.937 4.937 799 2HB ARG 103 1HB ARG 103 -1.818 5.679 5.679 800 1HG ARG 103 2HG ARG 103 -0.478 7.754 7.754 801 2HG ARG 103 1HG ARG 103 0.430 6.998 6.998 802 1HD ARG 103 2HD ARG 103 -2.504 6.920 6.920 803 2HD ARG 103 1HD ARG 103 -1.773 8.521 8.521 804 HE ARG 103 HE ARG 103 -1.543 6.378 6.378 805 1HH1 ARG 103 2HH1 ARG 103 -0.165 9.365 9.365 806 2HH1 ARG 103 1HH1 ARG 103 0.646 9.719 9.719 807 1HH2 ARG 103 1HH2 ARG 103 -0.473 6.842 6.842 808 2HH2 ARG 103 2HH2 ARG 103 0.471 8.288 8.288 809 H LYS 104 H LYS 104 1.814 7.145 7.145 810 HA LYS 104 HA LYS 104 3.801 5.982 5.982 811 1HB LYS 104 2HB LYS 104 3.158 8.695 8.695 812 2HB LYS 104 1HB LYS 104 4.869 8.360 8.360 813 1HG LYS 104 2HG LYS 104 4.644 8.749 8.749 814 2HG LYS 104 1HG LYS 104 3.538 7.379 7.379 815 1HD LYS 104 2HD LYS 104 2.509 9.410 9.410 816 2HD LYS 104 1HD LYS 104 1.661 8.847 8.847 817 1HE LYS 104 2HE LYS 104 2.536 10.555 10.555 818 2HE LYS 104 1HE LYS 104 3.840 10.897 10.897 819 1HZ LYS 104 1HZ LYS 104 1.164 11.264 11.264 820 2HZ LYS 104 3HZ LYS 104 1.596 12.337 12.337 821 3HZ LYS 104 2HZ LYS 104 2.536 12.239 12.239 822 H ASN 105 H ASN 105 3.253 6.581 6.581 823 HA ASN 105 HA ASN 105 6.048 6.157 6.157 824 1HB ASN 105 2HB ASN 105 3.585 6.994 6.994 825 2HB ASN 105 1HB ASN 105 4.838 6.188 6.188 826 1HD2 ASN 105 2HD2 ASN 105 5.173 10.038 10.038 827 2HD2 ASN 105 1HD2 ASN 105 3.728 9.105 9.105 828 H ILE 106 H ILE 106 2.969 4.442 4.442 829 HA ILE 106 HA ILE 106 3.818 2.293 2.293 830 HB ILE 106 HB ILE 106 1.450 2.755 2.755 831 1HG1 ILE 106 2HG1 ILE 106 0.739 0.437 0.437 832 2HG1 ILE 106 1HG1 ILE 106 2.297 -0.010 -0.010 833 1HG2 ILE 106 2HG2 ILE 106 1.807 3.269 3.269 834 2HG2 ILE 106 1HG2 ILE 106 1.907 1.532 1.532 835 3HG2 ILE 106 3HG2 ILE 106 0.420 2.238 2.238 836 1HD1 ILE 106 3HD1 ILE 106 2.559 1.299 1.299 837 2HD1 ILE 106 2HD1 ILE 106 1.573 -0.161 -0.161 838 3HD1 ILE 106 1HD1 ILE 106 3.214 -0.237 -0.237 839 H CYS 107 H CYS 107 3.634 2.556 2.556 840 HA CYS 107 HA CYS 107 4.716 0.043 0.043 841 1HB CYS 107 2HB CYS 107 5.511 1.196 1.196 842 2HB CYS 107 1HB CYS 107 3.783 1.269 1.269 843 HG CYS 107 HG CYS 107 5.301 3.618 3.618 844 H GLN 108 H GLN 108 6.152 3.091 3.091 845 HA GLN 108 HA GLN 108 8.870 2.362 2.362 846 1HB GLN 108 2HB GLN 108 8.562 4.657 4.657 847 2HB GLN 108 1HB GLN 108 7.405 4.609 4.609 848 1HG GLN 108 2HG GLN 108 9.109 5.546 5.546 849 2HG GLN 108 1HG GLN 108 9.589 3.866 3.866 850 1HE2 GLN 108 2HE2 GLN 108 12.363 4.034 4.034 851 2HE2 GLN 108 1HE2 GLN 108 11.170 2.989 2.989 852 H PHE 109 H PHE 109 6.609 2.126 2.126 853 HA PHE 109 HA PHE 109 8.508 1.444 1.444 854 1HB PHE 109 2HB PHE 109 6.302 2.357 2.357 855 2HB PHE 109 1HB PHE 109 5.526 0.946 0.946 856 HD1 PHE 109 HD1 PHE 109 8.039 1.830 1.830 857 HD2 PHE 109 HD2 PHE 109 4.912 -0.783 -0.783 858 HE1 PHE 109 HE1 PHE 109 8.144 0.693 0.693 859 HE2 PHE 109 HE2 PHE 109 5.010 -1.926 -1.926 860 HZ PHE 109 HZ PHE 109 6.627 -1.186 -1.186 861 H LEU 110 H LEU 110 6.335 -0.403 -0.403 862 HA LEU 110 HA LEU 110 6.836 -2.952 -2.952 863 1HB LEU 110 2HB LEU 110 5.858 -1.855 -1.855 864 2HB LEU 110 1HB LEU 110 6.366 -3.532 -3.532 865 HG LEU 110 HG LEU 110 4.674 -4.152 -4.152 866 1HD1 LEU 110 2HD1 LEU 110 4.475 -1.222 -1.222 867 2HD1 LEU 110 1HD1 LEU 110 3.153 -2.325 -2.325 868 3HD1 LEU 110 3HD1 LEU 110 4.742 -2.565 -2.565 869 1HD2 LEU 110 3HD2 LEU 110 4.031 -3.302 -3.302 870 2HD2 LEU 110 2HD2 LEU 110 2.793 -3.796 -3.796 871 3HD2 LEU 110 1HD2 LEU 110 3.142 -2.084 -2.084 872 H VAL 111 H VAL 111 8.699 -0.936 -0.936 873 HA VAL 111 HA VAL 111 10.534 -3.112 -3.112 874 HB VAL 111 HB VAL 111 10.611 -0.219 -0.219 875 1HG1 VAL 111 1HG1 VAL 111 12.372 -2.548 -2.548 876 2HG1 VAL 111 3HG1 VAL 111 12.017 -1.515 -1.515 877 3HG1 VAL 111 2HG1 VAL 111 12.755 -0.828 -0.828 878 1HG2 VAL 111 3HG2 VAL 111 8.643 -1.720 -1.720 879 2HG2 VAL 111 2HG2 VAL 111 9.524 -0.814 -0.814 880 3HG2 VAL 111 1HG2 VAL 111 9.842 -2.533 -2.533 881 H GLU 112 H GLU 112 10.287 -0.323 -0.323 882 HA GLU 112 HA GLU 112 13.075 -0.101 -0.101 883 1HB GLU 112 2HB GLU 112 10.577 1.004 1.004 884 2HB GLU 112 1HB GLU 112 12.148 1.229 1.229 885 1HG GLU 112 2HG GLU 112 12.025 1.925 1.925 886 2HG GLU 112 1HG GLU 112 11.044 2.929 2.929 887 H ILE 113 H ILE 113 10.340 -1.761 -1.761 888 HA ILE 113 HA ILE 113 12.035 -2.765 -2.765 889 HB ILE 113 HB ILE 113 10.068 -3.519 -3.519 890 1HG1 ILE 113 2HG1 ILE 113 8.624 -3.008 -3.008 891 2HG1 ILE 113 1HG1 ILE 113 8.934 -4.576 -4.576 892 1HG2 ILE 113 3HG2 ILE 113 10.515 -0.948 -0.948 893 2HG2 ILE 113 2HG2 ILE 113 8.960 -1.043 -1.043 894 3HG2 ILE 113 1HG2 ILE 113 9.088 -1.514 -1.514 895 1HD1 ILE 113 3HD1 ILE 113 7.531 -2.881 -2.881 896 2HD1 ILE 113 2HD1 ILE 113 6.677 -2.967 -2.967 897 3HD1 ILE 113 1HD1 ILE 113 7.066 -4.447 -4.447 898 H GLY 114 H GLY 114 10.787 -3.743 -3.743 899 1HA GLY 114 2HA GLY 114 11.454 -5.667 -5.667 900 2HA GLY 114 1HA GLY 114 11.993 -6.375 -6.375 901 H LEU 115 H LEU 115 8.858 -4.902 -4.902 902 HA LEU 115 HA LEU 115 7.552 -7.320 -7.320 903 1HB LEU 115 2HB LEU 115 6.993 -4.676 -4.676 904 2HB LEU 115 1HB LEU 115 5.915 -5.093 -5.093 905 HG LEU 115 HG LEU 115 4.768 -6.705 -6.705 906 1HD1 LEU 115 1HD1 LEU 115 7.078 -6.346 -6.346 907 2HD1 LEU 115 3HD1 LEU 115 5.508 -6.826 -6.826 908 3HD1 LEU 115 2HD1 LEU 115 6.309 -7.829 -7.829 909 1HD2 LEU 115 1HD2 LEU 115 4.650 -4.047 -4.047 910 2HD2 LEU 115 3HD2 LEU 115 3.585 -5.228 -5.228 911 3HD2 LEU 115 2HD2 LEU 115 5.005 -4.633 -4.633 912 H ALA 116 H ALA 116 6.798 -5.195 -5.195 913 HA ALA 116 HA ALA 116 5.893 -7.537 -7.537 914 1HB ALA 116 2HB ALA 116 4.563 -5.336 -5.336 915 2HB ALA 116 1HB ALA 116 5.651 -4.715 -4.715 916 3HB ALA 116 3HB ALA 116 4.625 -6.107 -6.107 917 H LYS 117 H LYS 117 6.244 -6.675 -6.675 918 HA LYS 117 HA LYS 117 9.174 -6.497 -6.497 919 1HB LYS 117 2HB LYS 117 7.624 -8.652 -8.652 920 2HB LYS 117 1HB LYS 117 7.773 -7.769 -7.769 921 1HG LYS 117 2HG LYS 117 9.613 -9.079 -9.079 922 2HG LYS 117 1HG LYS 117 10.322 -7.713 -7.713 923 1HD LYS 117 2HD LYS 117 9.234 -10.204 -10.204 924 2HD LYS 117 1HD LYS 117 10.940 -9.916 -9.916 925 1HE LYS 117 2HE LYS 117 10.707 -7.791 -7.791 926 2HE LYS 117 1HE LYS 117 9.151 -8.426 -8.426 927 1HZ LYS 117 1HZ LYS 117 10.422 -10.462 -10.462 928 2HZ LYS 117 3HZ LYS 117 11.841 -9.572 -9.572 929 3HZ LYS 117 2HZ LYS 117 10.709 -9.062 -9.062 930 H ASP 118 H ASP 118 9.943 -5.524 -5.524 931 HA ASP 118 HA ASP 118 8.629 -3.100 -3.100 932 1HB ASP 118 2HB ASP 118 10.698 -4.368 -4.368 933 2HB ASP 118 1HB ASP 118 10.378 -2.655 -2.655 934 H ASP 119 H ASP 119 8.432 -6.262 -6.262 935 HA ASP 119 HA ASP 119 7.144 -5.391 -5.391 936 1HB ASP 119 2HB ASP 119 6.798 -7.845 -7.845 937 2HB ASP 119 1HB ASP 119 8.482 -7.397 -7.397 938 H GLN 120 H GLN 120 6.234 -6.551 -6.551 939 HA GLN 120 HA GLN 120 3.475 -6.981 -6.981 940 1HB GLN 120 2HB GLN 120 4.725 -6.663 -6.663 941 2HB GLN 120 1HB GLN 120 3.154 -7.360 -7.360 942 1HG GLN 120 2HG GLN 120 4.249 -9.192 -9.192 943 2HG GLN 120 1HG GLN 120 5.821 -8.499 -8.499 944 1HE2 GLN 120 2HE2 GLN 120 3.586 -9.859 -9.859 945 2HE2 GLN 120 1HE2 GLN 120 2.850 -8.970 -8.970 946 H LEU 121 H LEU 121 5.345 -4.245 -4.245 947 HA LEU 121 HA LEU 121 3.789 -2.557 -2.557 948 1HB LEU 121 2HB LEU 121 5.494 -1.988 -1.988 949 2HB LEU 121 1HB LEU 121 4.737 -0.716 -0.716 950 HG LEU 121 HG LEU 121 6.653 -2.735 -2.735 951 1HD1 LEU 121 3HD1 LEU 121 7.115 -0.031 -0.031 952 2HD1 LEU 121 2HD1 LEU 121 8.178 -0.665 -0.665 953 3HD1 LEU 121 1HD1 LEU 121 7.999 -1.535 -1.535 954 1HD2 LEU 121 3HD2 LEU 121 4.982 -0.616 -0.616 955 2HD2 LEU 121 2HD2 LEU 121 5.803 -1.950 -1.950 956 3HD2 LEU 121 1HD2 LEU 121 6.682 -0.466 -0.466 957 H LYS 122 H LYS 122 1.608 -2.826 -2.826 958 HA LYS 122 HA LYS 122 0.514 -2.022 -2.022 959 1HB LYS 122 2HB LYS 122 -0.308 -4.023 -4.023 960 2HB LYS 122 1HB LYS 122 -1.614 -3.096 -3.096 961 1HG LYS 122 2HG LYS 122 0.463 -4.522 -4.522 962 2HG LYS 122 1HG LYS 122 -1.049 -5.276 -5.276 963 1HD LYS 122 2HD LYS 122 -2.275 -4.121 -4.121 964 2HD LYS 122 1HD LYS 122 -1.345 -2.639 -2.639 965 1HE LYS 122 2HE LYS 122 0.129 -3.139 -3.139 966 2HE LYS 122 1HE LYS 122 0.027 -4.876 -4.876 967 1HZ LYS 122 3HZ LYS 122 -2.228 -4.784 -4.784 968 2HZ LYS 122 2HZ LYS 122 -1.918 -3.181 -3.181 969 3HZ LYS 122 1HZ LYS 122 -0.965 -4.429 -4.429 970 H VAL 123 H VAL 123 0.927 0.210 0.210 971 HA VAL 123 HA VAL 123 -0.756 1.233 1.233 972 HB VAL 123 HB VAL 123 1.522 2.113 2.113 973 1HG1 VAL 123 2HG1 VAL 123 0.996 2.073 2.073 974 2HG1 VAL 123 1HG1 VAL 123 1.014 3.791 3.791 975 3HG1 VAL 123 3HG1 VAL 123 2.409 2.785 2.785 976 1HG2 VAL 123 3HG2 VAL 123 -0.733 3.534 3.534 977 2HG2 VAL 123 2HG2 VAL 123 0.908 4.149 4.149 978 3HG2 VAL 123 1HG2 VAL 123 -0.003 4.506 4.506 979 H HIS 124 H HIS 124 -2.838 1.637 1.637 980 HA HIS 124 HA HIS 124 -3.532 2.676 2.676 981 1HB HIS 124 2HB HIS 124 -5.353 1.223 1.223 982 2HB HIS 124 1HB HIS 124 -5.722 1.690 1.690 983 HD1 HIS 124 HD1 HIS 124 -5.036 0.103 0.103 984 HD2 HIS 124 HD2 HIS 124 -3.438 -0.916 -0.916 985 HE1 HIS 124 HE1 HIS 124 -3.974 -2.151 -2.151 986 HE2 HIS 124 HE2 HIS 124 -3.122 -2.799 -2.799 987 H GLY 125 H GLY 125 -3.928 3.102 3.102 988 1HA GLY 125 2HA GLY 125 -4.703 4.881 4.881 989 2HA GLY 125 1HA GLY 125 -4.353 5.866 5.866 990 H PHE 126 HN PHE 126 -6.028 6.859 6.859 991 HA PHE 126 HA PHE 126 -8.507 5.674 5.674 992 1HB PHE 126 2HB PHE 126 -9.949 6.406 6.406 993 2HB PHE 126 1HB PHE 126 -8.513 6.009 6.009 994 HD1 PHE 126 HD1 PHE 126 -6.808 8.070 8.070 995 HD2 PHE 126 HD2 PHE 126 -11.003 8.369 8.369 996 HE1 PHE 126 HE1 PHE 126 -6.786 10.351 10.351 997 HE2 PHE 126 HE2 PHE 126 -10.988 10.650 10.650 998 HZ PHE 126 HZ PHE 126 -8.880 11.644 11.644 Start of MODEL 10 1 1H MET 1 2H MET 1 23.904 -35.753 -35.753 2 2H MET 1 1H MET 1 25.104 -35.165 -35.165 3 3H MET 1 3H MET 1 24.136 -34.062 -34.062 4 HA MET 1 HA MET 1 23.432 -34.189 -34.189 5 1HB MET 1 2HB MET 1 24.155 -36.821 -36.821 6 2HB MET 1 1HB MET 1 22.402 -36.933 -36.933 7 1HG MET 1 2HG MET 1 23.487 -35.203 -35.203 8 2HG MET 1 1HG MET 1 23.856 -36.919 -36.919 9 1HE MET 1 1HE MET 1 22.559 -38.066 -38.066 10 2HE MET 1 3HE MET 1 21.964 -38.833 -38.833 11 3HE MET 1 2HE MET 1 20.837 -38.389 -38.389 12 H ARG 2 H ARG 2 21.836 -32.828 -32.828 13 HA ARG 2 HA ARG 2 19.783 -32.102 -32.102 14 1HB ARG 2 2HB ARG 2 19.362 -34.560 -34.560 15 2HB ARG 2 1HB ARG 2 18.476 -34.689 -34.689 16 1HG ARG 2 2HG ARG 2 17.018 -33.875 -33.875 17 2HG ARG 2 1HG ARG 2 17.293 -32.599 -32.599 18 1HD ARG 2 2HD ARG 2 19.195 -32.627 -32.627 19 2HD ARG 2 1HD ARG 2 17.526 -32.297 -32.297 20 HE ARG 2 HE ARG 2 17.917 -30.640 -30.640 21 1HH1 ARG 2 2HH1 ARG 2 19.695 -31.205 -31.205 22 2HH1 ARG 2 1HH1 ARG 2 20.293 -29.583 -29.583 23 1HH2 ARG 2 1HH2 ARG 2 18.702 -28.506 -28.506 24 2HH2 ARG 2 2HH2 ARG 2 19.730 -28.051 -28.051 25 H GLY 3 H GLY 3 21.736 -32.688 -32.688 26 1HA GLY 3 2HA GLY 3 20.244 -33.871 -33.871 27 2HA GLY 3 1HA GLY 3 21.926 -33.365 -33.365 28 H SER 4 H SER 4 21.623 -32.263 -32.263 29 HA SER 4 HA SER 4 21.248 -30.437 -30.437 30 1HB SER 4 2HB SER 4 21.809 -29.444 -29.444 31 2HB SER 4 1HB SER 4 20.325 -28.606 -28.606 32 HG SER 4 HG SER 4 21.379 -27.981 -27.981 33 H HIS 5 H HIS 5 19.437 -28.419 -28.419 34 HA HIS 5 HA HIS 5 17.076 -29.697 -29.697 35 1HB HIS 5 2HB HIS 5 17.405 -26.780 -26.780 36 2HB HIS 5 1HB HIS 5 16.177 -27.472 -27.472 37 HD1 HIS 5 HD1 HIS 5 18.848 -25.424 -25.424 38 HD2 HIS 5 HD2 HIS 5 17.967 -29.136 -29.136 39 HE1 HIS 5 HE1 HIS 5 20.189 -25.553 -25.553 40 HE2 HIS 5 HE2 HIS 5 19.701 -27.840 -27.840 41 H HIS 6 H HIS 6 14.900 -29.379 -29.379 42 HA HIS 6 HA HIS 6 14.852 -29.723 -29.723 43 1HB HIS 6 2HB HIS 6 13.498 -30.975 -30.975 44 2HB HIS 6 1HB HIS 6 12.303 -29.789 -29.789 45 HD1 HIS 6 HD1 HIS 6 14.088 -32.864 -32.864 46 HD2 HIS 6 HD2 HIS 6 11.247 -30.194 -30.194 47 HE1 HIS 6 HE1 HIS 6 13.114 -33.956 -33.956 48 HE2 HIS 6 HE2 HIS 6 11.340 -32.358 -32.358 49 H HIS 7 H HIS 7 13.805 -28.408 -28.408 50 HA HIS 7 HA HIS 7 13.567 -25.668 -25.668 51 1HB HIS 7 2HB HIS 7 13.317 -27.327 -27.327 52 2HB HIS 7 1HB HIS 7 12.190 -25.975 -25.975 53 HD1 HIS 7 HD1 HIS 7 15.769 -26.007 -26.007 54 HD2 HIS 7 HD2 HIS 7 13.428 -24.215 -24.215 55 HE1 HIS 7 HE1 HIS 7 17.252 -24.294 -24.294 56 HE2 HIS 7 HE2 HIS 7 15.843 -23.289 -23.289 57 H HIS 8 H HIS 8 11.709 -24.329 -24.329 58 HA HIS 8 HA HIS 8 9.137 -25.695 -25.695 59 1HB HIS 8 2HB HIS 8 10.652 -24.280 -24.280 60 2HB HIS 8 1HB HIS 8 9.027 -23.632 -23.632 61 HD1 HIS 8 HD1 HIS 8 7.142 -24.943 -24.943 62 HD2 HIS 8 HD2 HIS 8 10.696 -27.092 -27.092 63 HE1 HIS 8 HE1 HIS 8 6.702 -27.039 -27.039 64 HE2 HIS 8 HE2 HIS 8 8.891 -28.285 -28.285 65 H HIS 9 H HIS 9 7.481 -23.668 -23.668 66 HA HIS 9 HA HIS 9 7.841 -21.882 -21.882 67 1HB HIS 9 2HB HIS 9 5.464 -23.255 -23.255 68 2HB HIS 9 1HB HIS 9 5.219 -21.678 -21.678 69 HD1 HIS 9 HD1 HIS 9 3.933 -24.142 -24.142 70 HD2 HIS 9 HD2 HIS 9 7.672 -22.694 -22.694 71 HE1 HIS 9 HE1 HIS 9 4.337 -25.004 -25.004 72 HE2 HIS 9 HE2 HIS 9 6.568 -24.042 -24.042 73 H HIS 10 H HIS 10 9.178 -20.859 -20.859 74 HA HIS 10 HA HIS 10 7.623 -18.565 -18.565 75 1HB HIS 10 2HB HIS 10 8.271 -20.717 -20.717 76 2HB HIS 10 1HB HIS 10 8.950 -19.181 -19.181 77 HD1 HIS 10 HD1 HIS 10 5.706 -19.210 -19.210 78 HD2 HIS 10 HD2 HIS 10 7.069 -18.985 -18.985 79 HE1 HIS 10 HE1 HIS 10 3.710 -18.525 -18.525 80 HE2 HIS 10 HE2 HIS 10 4.579 -18.311 -18.311 81 H THR 11 H THR 11 10.731 -20.242 -20.242 82 HA THR 11 HA THR 11 12.190 -17.781 -17.781 83 HB THR 11 HB THR 11 13.196 -20.606 -20.606 84 HG1 THR 11 HG1 THR 11 12.642 -19.084 -19.084 85 1HG2 THR 11 2HG2 THR 11 14.593 -18.082 -18.082 86 2HG2 THR 11 1HG2 THR 11 15.053 -19.205 -19.205 87 3HG2 THR 11 3HG2 THR 11 15.200 -19.687 -19.687 88 H ASP 12 H ASP 12 13.314 -16.702 -16.702 89 HA ASP 12 HA ASP 12 14.104 -17.813 -17.813 90 1HB ASP 12 2HB ASP 12 11.442 -16.641 -16.641 91 2HB ASP 12 1HB ASP 12 12.448 -15.847 -15.847 92 HA PRO 13 HA PRO 13 16.991 -14.480 -14.480 93 1HB PRO 13 2HB PRO 13 17.007 -14.516 -14.516 94 2HB PRO 13 1HB PRO 13 18.358 -14.623 -14.623 95 1HG PRO 13 2HG PRO 13 17.500 -16.784 -16.784 96 2HG PRO 13 1HG PRO 13 18.020 -16.884 -16.884 97 1HD PRO 13 2HD PRO 13 15.259 -16.885 -16.885 98 2HD PRO 13 1HD PRO 13 15.908 -17.778 -17.778 99 H MET 14 H MET 14 14.576 -14.206 -14.206 100 HA MET 14 HA MET 14 14.673 -11.339 -11.339 101 1HB MET 14 2HB MET 14 12.675 -13.235 -13.235 102 2HB MET 14 1HB MET 14 12.777 -11.510 -11.510 103 1HG MET 14 2HG MET 14 15.260 -13.031 -13.031 104 2HG MET 14 1HG MET 14 13.940 -13.401 -13.401 105 1HE MET 14 1HE MET 14 16.711 -12.458 -12.458 106 2HE MET 14 3HE MET 14 15.830 -12.196 -12.196 107 3HE MET 14 2HE MET 14 16.796 -10.894 -10.894 108 H SER 15 H SER 15 12.811 -13.773 -13.773 109 HA SER 15 HA SER 15 10.549 -12.294 -12.294 110 1HB SER 15 2HB SER 15 11.916 -14.711 -14.711 111 2HB SER 15 1HB SER 15 10.833 -13.892 -13.892 112 HG SER 15 HG SER 15 9.257 -13.983 -13.983 113 H ALA 16 H ALA 16 13.792 -12.288 -12.288 114 HA ALA 16 HA ALA 16 13.024 -10.072 -10.072 115 1HB ALA 16 1HB ALA 16 14.542 -12.545 -12.545 116 2HB ALA 16 3HB ALA 16 14.873 -11.032 -11.032 117 3HB ALA 16 2HB ALA 16 13.252 -11.726 -11.726 118 H ILE 17 H ILE 17 13.837 -8.930 -8.930 119 HA ILE 17 HA ILE 17 16.666 -9.029 -9.029 120 HB ILE 17 HB ILE 17 14.681 -6.964 -6.964 121 1HG1 ILE 17 2HG1 ILE 17 15.524 -9.121 -9.121 122 2HG1 ILE 17 1HG1 ILE 17 14.470 -9.627 -9.627 123 1HG2 ILE 17 3HG2 ILE 17 17.371 -6.866 -6.866 124 2HG2 ILE 17 2HG2 ILE 17 16.991 -7.733 -7.733 125 3HG2 ILE 17 1HG2 ILE 17 16.285 -6.145 -6.145 126 1HD1 ILE 17 3HD1 ILE 17 13.718 -7.242 -7.242 127 2HD1 ILE 17 2HD1 ILE 17 13.485 -8.853 -8.853 128 3HD1 ILE 17 1HD1 ILE 17 12.695 -8.411 -8.411 129 H GLN 18 H GLN 18 17.888 -8.354 -8.354 130 HA GLN 18 HA GLN 18 18.878 -6.952 -6.952 131 1HB GLN 18 2HB GLN 18 17.686 -5.088 -5.088 132 2HB GLN 18 1HB GLN 18 18.305 -4.406 -4.406 133 1HG GLN 18 2HG GLN 18 20.422 -4.644 -4.644 134 2HG GLN 18 1HG GLN 18 20.152 -6.285 -6.285 135 1HE2 GLN 18 2HE2 GLN 18 20.414 -3.208 -3.208 136 2HE2 GLN 18 1HE2 GLN 18 20.665 -3.060 -3.060 137 H ASN 19 H ASN 19 18.150 -7.133 -7.133 138 HA ASN 19 HA ASN 19 15.497 -6.854 -6.854 139 1HB ASN 19 2HB ASN 19 18.129 -7.036 -7.036 140 2HB ASN 19 1HB ASN 19 16.771 -6.441 -6.441 141 1HD2 ASN 19 2HD2 ASN 19 17.120 -10.345 -10.345 142 2HD2 ASN 19 1HD2 ASN 19 18.257 -9.155 -9.155 143 H LEU 20 H LEU 20 18.073 -4.505 -4.505 144 HA LEU 20 HA LEU 20 16.406 -2.449 -2.449 145 1HB LEU 20 2HB LEU 20 19.057 -2.928 -2.928 146 2HB LEU 20 1HB LEU 20 19.076 -1.742 -1.742 147 HG LEU 20 HG LEU 20 17.811 -0.180 -0.180 148 1HD1 LEU 20 1HD1 LEU 20 17.930 -2.506 -2.506 149 2HD1 LEU 20 3HD1 LEU 20 17.955 -0.870 -0.870 150 3HD1 LEU 20 2HD1 LEU 20 16.599 -1.400 -1.400 151 1HD2 LEU 20 3HD2 LEU 20 20.453 -0.651 -0.651 152 2HD2 LEU 20 2HD2 LEU 20 19.701 0.623 0.623 153 3HD2 LEU 20 1HD2 LEU 20 20.115 -0.920 -0.920 154 H HIS 21 H HIS 21 16.261 -0.324 -0.324 155 HA HIS 21 HA HIS 21 15.617 0.986 0.986 156 1HB HIS 21 2HB HIS 21 18.008 -0.352 -0.352 157 2HB HIS 21 1HB HIS 21 16.927 -0.174 -0.174 158 HD1 HIS 21 HD1 HIS 21 18.766 1.879 1.879 159 HD2 HIS 21 HD2 HIS 21 16.717 2.384 2.384 160 HE1 HIS 21 HE1 HIS 21 19.193 4.259 4.259 161 HE2 HIS 21 HE2 HIS 21 18.009 4.518 4.518 162 H SER 22 H SER 22 13.474 0.189 0.189 163 HA SER 22 HA SER 22 12.582 -1.001 -1.001 164 1HB SER 22 2HB SER 22 11.601 -2.531 -2.531 165 2HB SER 22 1HB SER 22 11.888 -3.068 -3.068 166 HG SER 22 HG SER 22 13.635 -2.927 -2.927 167 H PHE 23 H PHE 23 11.395 0.890 0.890 168 HA PHE 23 HA PHE 23 9.522 1.684 1.684 169 1HB PHE 23 2HB PHE 23 10.868 3.176 3.176 170 2HB PHE 23 1HB PHE 23 9.477 2.855 2.855 171 HD1 PHE 23 HD1 PHE 23 10.406 4.140 4.140 172 HD2 PHE 23 HD2 PHE 23 7.550 4.130 4.130 173 HE1 PHE 23 HE1 PHE 23 9.164 5.942 5.942 174 HE2 PHE 23 HE2 PHE 23 6.303 5.932 5.932 175 HZ PHE 23 HZ PHE 23 7.109 6.840 6.840 176 H ASP 24 H ASP 24 7.222 2.186 2.186 177 HA ASP 24 HA ASP 24 6.173 0.232 0.232 178 1HB ASP 24 2HB ASP 24 4.421 -0.457 -0.457 179 2HB ASP 24 1HB ASP 24 6.038 -0.888 -0.888 180 HA PRO 25 HA PRO 25 4.208 4.229 4.229 181 1HB PRO 25 2HB PRO 25 3.131 2.566 2.566 182 2HB PRO 25 1HB PRO 25 3.947 4.131 4.131 183 1HG PRO 25 2HG PRO 25 5.196 1.901 1.901 184 2HG PRO 25 1HG PRO 25 6.058 3.184 3.184 185 1HD PRO 25 2HD PRO 25 5.034 0.563 0.563 186 2HD PRO 25 1HD PRO 25 6.541 1.416 1.416 187 H PHE 26 H PHE 26 2.841 1.070 1.070 188 HA PHE 26 HA PHE 26 0.228 2.308 2.308 189 1HB PHE 26 2HB PHE 26 -0.159 -0.459 -0.459 190 2HB PHE 26 1HB PHE 26 -0.721 0.895 0.895 191 HD1 PHE 26 HD2 PHE 26 0.638 1.689 1.689 192 HD2 PHE 26 HD1 PHE 26 1.643 -1.828 -1.828 193 HE1 PHE 26 HE2 PHE 26 2.103 0.972 0.972 194 HE2 PHE 26 HE1 PHE 26 3.111 -2.550 -2.550 195 HZ PHE 26 HZ PHE 26 3.341 -1.149 -1.149 196 H ALA 27 H ALA 27 1.535 -0.940 -0.940 197 HA ALA 27 HA ALA 27 2.068 -0.609 -0.609 198 1HB ALA 27 2HB ALA 27 -0.739 -1.266 -1.266 199 2HB ALA 27 1HB ALA 27 -0.015 -2.119 -2.119 200 3HB ALA 27 3HB ALA 27 -0.094 -0.357 -0.357 201 H ASP 28 H ASP 28 3.803 -1.929 -1.929 202 HA ASP 28 HA ASP 28 3.328 -4.607 -4.607 203 1HB ASP 28 2HB ASP 28 5.226 -3.264 -3.264 204 2HB ASP 28 1HB ASP 28 5.941 -3.270 -3.270 205 H ALA 29 H ALA 29 2.055 -4.874 -4.874 206 HA ALA 29 HA ALA 29 3.776 -6.350 -6.350 207 1HB ALA 29 2HB ALA 29 2.326 -3.867 -3.867 208 2HB ALA 29 1HB ALA 29 2.347 -5.187 -5.187 209 3HB ALA 29 3HB ALA 29 3.864 -4.499 -4.499 210 H SER 30 H SER 30 2.375 -7.483 -7.483 211 HA SER 30 HA SER 30 0.726 -8.969 -8.969 212 1HB SER 30 2HB SER 30 -0.646 -6.789 -6.789 213 2HB SER 30 1HB SER 30 -1.141 -7.493 -7.493 214 HG SER 30 HG SER 30 -2.100 -7.999 -7.999 215 H LYS 31 H LYS 31 0.402 -10.976 -10.976 216 HA LYS 31 HA LYS 31 0.305 -12.774 -12.774 217 1HB LYS 31 2HB LYS 31 -0.739 -10.889 -10.889 218 2HB LYS 31 1HB LYS 31 -1.027 -12.619 -12.619 219 1HG LYS 31 2HG LYS 31 -1.918 -10.791 -10.791 220 2HG LYS 31 1HG LYS 31 -2.870 -10.934 -10.934 221 1HD LYS 31 2HD LYS 31 -3.562 -13.025 -13.025 222 2HD LYS 31 1HD LYS 31 -2.014 -13.480 -13.480 223 1HE LYS 31 2HE LYS 31 -2.777 -11.786 -11.786 224 2HE LYS 31 1HE LYS 31 -4.380 -12.176 -12.176 225 1HZ LYS 31 2HZ LYS 31 -3.563 -14.599 -14.599 226 2HZ LYS 31 1HZ LYS 31 -2.426 -13.938 -13.938 227 3HZ LYS 31 3HZ LYS 31 -4.079 -13.753 -13.753 228 H GLY 32 H GLY 32 2.776 -12.032 -12.032 229 1HA GLY 32 2HA GLY 32 3.828 -12.296 -12.296 230 2HA GLY 32 1HA GLY 32 4.443 -10.996 -10.996 231 H ASP 33 H ASP 33 5.018 -11.913 -11.913 232 HA ASP 33 HA ASP 33 6.922 -14.083 -14.083 233 1HB ASP 33 2HB ASP 33 8.025 -13.305 -13.305 234 2HB ASP 33 1HB ASP 33 7.895 -12.033 -12.033 235 H ASP 34 H ASP 34 4.374 -14.996 -14.996 236 HA ASP 34 HA ASP 34 3.085 -16.536 -16.536 237 1HB ASP 34 2HB ASP 34 5.426 -17.561 -17.561 238 2HB ASP 34 1HB ASP 34 5.355 -16.967 -16.967 239 H LEU 35 H LEU 35 2.394 -14.077 -14.077 240 HA LEU 35 HA LEU 35 2.548 -13.416 -13.416 241 1HB LEU 35 2HB LEU 35 1.641 -12.161 -12.161 242 2HB LEU 35 1HB LEU 35 0.128 -12.564 -12.564 243 HG LEU 35 HG LEU 35 0.829 -10.321 -10.321 244 1HD1 LEU 35 3HD1 LEU 35 -0.258 -11.959 -11.959 245 2HD1 LEU 35 2HD1 LEU 35 1.329 -11.992 -11.992 246 3HD1 LEU 35 1HD1 LEU 35 0.450 -10.470 -10.470 247 1HD2 LEU 35 2HD2 LEU 35 3.294 -10.845 -10.845 248 2HD2 LEU 35 1HD2 LEU 35 2.871 -9.807 -9.807 249 3HD2 LEU 35 3HD2 LEU 35 3.252 -11.507 -11.507 250 H LEU 36 H LEU 36 2.070 -15.261 -15.261 251 HA LEU 36 HA LEU 36 -0.236 -16.837 -16.837 252 1HB LEU 36 2HB LEU 36 1.600 -16.334 -16.334 253 2HB LEU 36 1HB LEU 36 0.225 -17.413 -17.413 254 HG LEU 36 HG LEU 36 2.115 -17.890 -17.890 255 1HD1 LEU 36 1HD1 LEU 36 3.353 -17.407 -17.407 256 2HD1 LEU 36 3HD1 LEU 36 2.817 -19.044 -19.044 257 3HD1 LEU 36 2HD1 LEU 36 3.831 -18.754 -18.754 258 1HD2 LEU 36 1HD2 LEU 36 -0.060 -19.175 -19.175 259 2HD2 LEU 36 3HD2 LEU 36 1.348 -20.042 -20.042 260 3HD2 LEU 36 2HD2 LEU 36 1.054 -19.954 -19.954 261 HA PRO 37 HA PRO 37 -3.559 -14.302 -14.302 262 1HB PRO 37 2HB PRO 37 -4.495 -16.771 -16.771 263 2HB PRO 37 1HB PRO 37 -5.356 -15.714 -15.714 264 1HG PRO 37 2HG PRO 37 -4.454 -18.088 -18.088 265 2HG PRO 37 1HG PRO 37 -4.380 -16.679 -16.679 266 1HD PRO 37 2HD PRO 37 -2.198 -17.994 -17.994 267 2HD PRO 37 1HD PRO 37 -2.146 -17.252 -17.252 268 H ALA 38 H ALA 38 -2.000 -16.515 -16.515 269 HA ALA 38 HA ALA 38 -2.888 -15.056 -15.056 270 1HB ALA 38 2HB ALA 38 -0.821 -17.235 -17.235 271 2HB ALA 38 1HB ALA 38 -1.433 -16.596 -16.596 272 3HB ALA 38 3HB ALA 38 -2.519 -17.448 -17.448 273 H GLY 39 H GLY 39 -1.136 -14.410 -14.410 274 1HA GLY 39 2HA GLY 39 1.366 -13.680 -13.680 275 2HA GLY 39 1HA GLY 39 0.679 -12.572 -12.572 276 H THR 40 H THR 40 -0.536 -13.648 -13.648 277 HA THR 40 HA THR 40 -0.975 -10.858 -10.858 278 HB THR 40 HB THR 40 -1.982 -12.140 -12.140 279 HG1 THR 40 HG1 THR 40 -2.266 -14.195 -14.195 280 1HG2 THR 40 2HG2 THR 40 -3.092 -11.386 -11.386 281 2HG2 THR 40 1HG2 THR 40 -3.986 -12.689 -12.689 282 3HG2 THR 40 3HG2 THR 40 -3.735 -11.161 -11.161 283 H GLU 41 H GLU 41 0.893 -13.659 -13.659 284 HA GLU 41 HA GLU 41 2.575 -13.931 -13.931 285 1HB GLU 41 2HB GLU 41 3.061 -11.511 -11.511 286 2HB GLU 41 1HB GLU 41 3.669 -11.335 -11.335 287 1HG GLU 41 2HG GLU 41 4.887 -13.496 -13.496 288 2HG GLU 41 1HG GLU 41 4.410 -13.443 -13.443 289 H ASP 42 H ASP 42 -0.086 -12.854 -12.854 290 HA ASP 42 HA ASP 42 -1.052 -12.042 -12.042 291 1HB ASP 42 2HB ASP 42 0.586 -14.109 -14.109 292 2HB ASP 42 1HB ASP 42 1.236 -12.851 -12.851 293 H TYR 43 H TYR 43 -0.250 -9.903 -9.903 294 HA TYR 43 HA TYR 43 1.831 -8.435 -8.435 295 1HB TYR 43 2HB TYR 43 -0.636 -7.393 -7.393 296 2HB TYR 43 1HB TYR 43 0.823 -6.470 -6.470 297 HD1 TYR 43 HD2 TYR 43 2.657 -8.963 -8.963 298 HD2 TYR 43 HD1 TYR 43 -0.491 -6.921 -6.921 299 HE1 TYR 43 HE2 TYR 43 3.593 -9.654 -9.654 300 HE2 TYR 43 HE1 TYR 43 0.438 -7.608 -7.608 301 HH TYR 43 HH TYR 43 1.888 -9.379 -9.379 302 H ILE 44 H ILE 44 1.418 -6.327 -6.327 303 HA ILE 44 HA ILE 44 -0.576 -6.780 -6.780 304 HB ILE 44 HB ILE 44 2.167 -5.561 -5.561 305 1HG1 ILE 44 2HG1 ILE 44 2.642 -7.180 -7.180 306 2HG1 ILE 44 1HG1 ILE 44 0.969 -7.299 -7.299 307 1HG2 ILE 44 3HG2 ILE 44 -0.030 -5.111 -5.111 308 2HG2 ILE 44 2HG2 ILE 44 1.673 -4.746 -4.746 309 3HG2 ILE 44 1HG2 ILE 44 0.777 -3.883 -3.883 310 1HD1 ILE 44 3HD1 ILE 44 1.922 -8.319 -8.319 311 2HD1 ILE 44 2HD1 ILE 44 1.882 -9.300 -9.300 312 3HD1 ILE 44 1HD1 ILE 44 0.386 -8.642 -8.642 313 H HIS 45 H HIS 45 -2.313 -5.676 -5.676 314 HA HIS 45 HA HIS 45 -2.173 -3.157 -3.157 315 1HB HIS 45 2HB HIS 45 -4.101 -5.177 -5.177 316 2HB HIS 45 1HB HIS 45 -4.781 -3.699 -3.699 317 HD1 HIS 45 HD1 HIS 45 -3.615 -5.212 -5.212 318 HD2 HIS 45 HD2 HIS 45 -5.509 -1.775 -1.775 319 HE1 HIS 45 HE1 HIS 45 -4.486 -4.062 -4.062 320 HE2 HIS 45 HE2 HIS 45 -5.705 -2.030 -2.030 321 H ILE 46 H ILE 46 -1.902 -1.250 -1.250 322 HA ILE 46 HA ILE 46 -2.122 -0.878 -0.878 323 HB ILE 46 HB ILE 46 -1.610 1.207 1.207 324 1HG1 ILE 46 2HG1 ILE 46 0.053 -0.627 -0.627 325 2HG1 ILE 46 1HG1 ILE 46 0.754 0.906 0.906 326 1HG2 ILE 46 2HG2 ILE 46 -1.468 1.218 1.218 327 2HG2 ILE 46 1HG2 ILE 46 -0.437 2.289 2.289 328 3HG2 ILE 46 3HG2 ILE 46 -2.190 2.401 2.401 329 1HD1 ILE 46 1HD1 ILE 46 0.173 -0.063 -0.063 330 2HD1 ILE 46 3HD1 ILE 46 0.335 -1.588 -1.588 331 3HD1 ILE 46 2HD1 ILE 46 1.676 -0.444 -0.444 332 H ARG 47 H ARG 47 -3.298 1.727 1.727 333 HA ARG 47 HA ARG 47 -5.378 2.564 2.564 334 1HB ARG 47 2HB ARG 47 -6.105 0.088 0.088 335 2HB ARG 47 1HB ARG 47 -6.648 0.459 0.459 336 1HG ARG 47 2HG ARG 47 -8.567 1.101 1.101 337 2HG ARG 47 1HG ARG 47 -7.706 2.506 2.506 338 1HD ARG 47 2HD ARG 47 -8.050 1.799 1.799 339 2HD ARG 47 1HD ARG 47 -7.200 0.296 0.296 340 HE ARG 47 HE ARG 47 -9.659 -0.147 -0.147 341 1HH1 ARG 47 2HH1 ARG 47 -8.554 0.974 0.974 342 2HH1 ARG 47 1HH1 ARG 47 -9.900 0.303 0.303 343 1HH2 ARG 47 1HH2 ARG 47 -11.429 -1.031 -1.031 344 2HH2 ARG 47 2HH2 ARG 47 -11.532 -0.836 -0.836 345 H ILE 48 H ILE 48 -6.056 4.337 4.337 346 HA ILE 48 HA ILE 48 -5.902 4.610 4.610 347 HB ILE 48 HB ILE 48 -5.767 6.632 6.632 348 1HG1 ILE 48 2HG1 ILE 48 -3.946 6.058 6.058 349 2HG1 ILE 48 1HG1 ILE 48 -3.669 5.545 5.545 350 1HG2 ILE 48 1HG2 ILE 48 -6.197 7.197 7.197 351 2HG2 ILE 48 3HG2 ILE 48 -5.704 8.399 8.399 352 3HG2 ILE 48 2HG2 ILE 48 -7.275 7.610 7.610 353 1HD1 ILE 48 3HD1 ILE 48 -4.004 8.438 8.438 354 2HD1 ILE 48 2HD1 ILE 48 -2.450 7.625 7.625 355 3HD1 ILE 48 1HD1 ILE 48 -3.216 7.704 7.704 356 H GLN 49 H GLN 49 -7.616 5.868 5.868 357 HA GLN 49 HA GLN 49 -10.156 5.924 5.924 358 1HB GLN 49 2HB GLN 49 -11.346 4.928 4.928 359 2HB GLN 49 1HB GLN 49 -10.122 3.827 3.827 360 1HG GLN 49 2HG GLN 49 -8.765 5.174 5.174 361 2HG GLN 49 1HG GLN 49 -10.392 5.062 5.062 362 1HE2 GLN 49 2HE2 GLN 49 -10.138 1.722 1.722 363 2HE2 GLN 49 1HE2 GLN 49 -11.019 3.207 3.207 364 H GLN 50 H GLN 50 -9.948 8.174 8.174 365 HA GLN 50 HA GLN 50 -9.812 9.653 9.653 366 1HB GLN 50 2HB GLN 50 -8.740 10.167 10.167 367 2HB GLN 50 1HB GLN 50 -10.203 11.141 11.141 368 1HG GLN 50 2HG GLN 50 -9.555 12.272 12.272 369 2HG GLN 50 1HG GLN 50 -8.098 11.289 11.289 370 1HE2 GLN 50 2HE2 GLN 50 -6.393 13.819 13.819 371 2HE2 GLN 50 1HE2 GLN 50 -6.561 12.791 12.791 372 H ARG 51 H ARG 51 -11.677 9.779 9.779 373 HA ARG 51 HA ARG 51 -14.216 9.856 9.856 374 1HB ARG 51 2HB ARG 51 -13.921 10.460 10.460 375 2HB ARG 51 1HB ARG 51 -15.213 9.610 9.610 376 1HG ARG 51 2HG ARG 51 -12.458 8.559 8.559 377 2HG ARG 51 1HG ARG 51 -13.977 8.056 8.056 378 1HD ARG 51 2HD ARG 51 -14.372 7.769 7.769 379 2HD ARG 51 1HD ARG 51 -12.741 7.168 7.168 380 HE ARG 51 HE ARG 51 -13.639 5.377 5.377 381 1HH1 ARG 51 2HH1 ARG 51 -16.095 7.830 7.830 382 2HH1 ARG 51 1HH1 ARG 51 -17.371 6.815 6.815 383 1HH2 ARG 51 1HH2 ARG 51 -15.316 4.042 4.042 384 2HH2 ARG 51 2HH2 ARG 51 -16.929 4.665 4.665 385 H ASN 52 H ASN 52 -15.199 11.633 11.633 386 HA ASN 52 HA ASN 52 -15.778 13.812 13.812 387 1HB ASN 52 2HB ASN 52 -15.948 13.502 13.502 388 2HB ASN 52 1HB ASN 52 -14.638 14.680 14.680 389 1HD2 ASN 52 2HD2 ASN 52 -17.231 17.022 17.022 390 2HD2 ASN 52 1HD2 ASN 52 -16.005 16.181 16.181 391 H GLY 53 H GLY 53 -12.994 12.743 12.743 392 1HA GLY 53 2HA GLY 53 -11.077 13.566 13.566 393 2HA GLY 53 1HA GLY 53 -11.869 15.132 15.132 394 H ARG 54 H ARG 54 -11.355 13.374 13.374 395 HA ARG 54 HA ARG 54 -9.055 15.046 15.046 396 1HB ARG 54 2HB ARG 54 -11.464 14.941 14.941 397 2HB ARG 54 1HB ARG 54 -10.006 15.899 15.899 398 1HG ARG 54 2HG ARG 54 -11.889 16.271 16.271 399 2HG ARG 54 1HG ARG 54 -12.021 17.157 17.157 400 1HD ARG 54 2HD ARG 54 -9.488 17.112 17.112 401 2HD ARG 54 1HD ARG 54 -10.765 18.292 18.292 402 HE ARG 54 HE ARG 54 -8.854 18.338 18.338 403 1HH1 ARG 54 2HH1 ARG 54 -12.181 19.110 19.110 404 2HH1 ARG 54 1HH1 ARG 54 -12.284 20.347 20.347 405 1HH2 ARG 54 1HH2 ARG 54 -8.988 19.964 19.964 406 2HH2 ARG 54 2HH2 ARG 54 -10.472 20.833 20.833 407 H LYS 55 H LYS 55 -11.344 12.766 12.766 408 HA LYS 55 HA LYS 55 -9.421 11.660 11.660 409 1HB LYS 55 2HB LYS 55 -12.053 10.557 10.557 410 2HB LYS 55 1HB LYS 55 -11.099 9.830 9.830 411 1HG LYS 55 2HG LYS 55 -12.184 12.637 12.637 412 2HG LYS 55 1HG LYS 55 -12.975 11.236 11.236 413 1HD LYS 55 2HD LYS 55 -10.205 12.223 12.223 414 2HD LYS 55 1HD LYS 55 -11.658 12.536 12.536 415 1HE LYS 55 2HE LYS 55 -11.929 10.003 10.003 416 2HE LYS 55 1HE LYS 55 -10.274 9.914 9.914 417 1HZ LYS 55 2HZ LYS 55 -10.990 11.480 11.480 418 2HZ LYS 55 1HZ LYS 55 -10.590 9.839 9.839 419 3HZ LYS 55 3HZ LYS 55 -9.458 10.957 10.957 420 H THR 56 H THR 56 -7.722 11.441 11.441 421 HA THR 56 HA THR 56 -7.947 9.318 9.318 422 HB THR 56 HB THR 56 -5.238 10.149 10.149 423 HG1 THR 56 HG1 THR 56 -5.441 12.247 12.247 424 1HG2 THR 56 1HG2 THR 56 -6.773 9.595 9.595 425 2HG2 THR 56 3HG2 THR 56 -5.841 11.083 11.083 426 3HG2 THR 56 2HG2 THR 56 -5.026 9.571 9.571 427 H LEU 57 H LEU 57 -7.476 7.221 7.221 428 HA LEU 57 HA LEU 57 -5.826 6.387 6.387 429 1HB LEU 57 2HB LEU 57 -8.664 5.976 5.976 430 2HB LEU 57 1HB LEU 57 -7.832 4.432 4.432 431 HG LEU 57 HG LEU 57 -6.620 5.299 5.299 432 1HD1 LEU 57 3HD1 LEU 57 -7.928 7.636 7.636 433 2HD1 LEU 57 2HD1 LEU 57 -8.892 6.975 6.975 434 3HD1 LEU 57 1HD1 LEU 57 -7.166 7.255 7.255 435 1HD2 LEU 57 1HD2 LEU 57 -9.332 4.245 4.245 436 2HD2 LEU 57 3HD2 LEU 57 -8.000 3.669 3.669 437 3HD2 LEU 57 2HD2 LEU 57 -9.025 4.988 4.988 438 H THR 58 H THR 58 -4.153 5.726 5.726 439 HA THR 58 HA THR 58 -4.505 4.206 4.206 440 HB THR 58 HB THR 58 -1.931 4.136 4.136 441 HG1 THR 58 HG1 THR 58 -3.199 6.453 6.453 442 1HG2 THR 58 2HG2 THR 58 -2.555 3.428 3.428 443 2HG2 THR 58 1HG2 THR 58 -2.058 5.102 5.102 444 3HG2 THR 58 3HG2 THR 58 -0.953 3.958 3.958 445 H THR 59 H THR 59 -5.083 2.134 2.134 446 HA THR 59 HA THR 59 -4.506 0.405 0.405 447 HB THR 59 HB THR 59 -6.137 -1.092 -1.092 448 HG1 THR 59 HG1 THR 59 -6.999 1.601 1.601 449 1HG2 THR 59 1HG2 THR 59 -6.571 0.611 0.611 450 2HG2 THR 59 3HG2 THR 59 -8.015 0.159 0.159 451 3HG2 THR 59 2HG2 THR 59 -6.948 -1.091 -1.091 452 H VAL 60 H VAL 60 -3.545 -1.610 -1.610 453 HA VAL 60 HA VAL 60 -2.095 -1.947 -1.947 454 HB VAL 60 HB VAL 60 -1.147 -3.281 -3.281 455 1HG1 VAL 60 1HG1 VAL 60 -0.106 -2.539 -2.539 456 2HG1 VAL 60 3HG1 VAL 60 1.028 -2.362 -2.362 457 3HG1 VAL 60 2HG1 VAL 60 0.274 -3.924 -3.924 458 1HG2 VAL 60 2HG2 VAL 60 -0.800 -0.359 -0.359 459 2HG2 VAL 60 1HG2 VAL 60 -1.417 -1.086 -1.086 460 3HG2 VAL 60 3HG2 VAL 60 0.289 -1.249 -1.249 461 H GLN 61 H GLN 61 -2.914 -3.519 -3.519 462 HA GLN 61 HA GLN 61 -3.991 -5.902 -5.902 463 1HB GLN 61 2HB GLN 61 -5.414 -4.299 -4.299 464 2HB GLN 61 1HB GLN 61 -4.709 -5.347 -5.347 465 1HG GLN 61 2HG GLN 61 -5.602 -7.104 -7.104 466 2HG GLN 61 1HG GLN 61 -6.850 -5.862 -5.862 467 1HE2 GLN 61 2HE2 GLN 61 -7.084 -6.548 -6.548 468 2HE2 GLN 61 1HE2 GLN 61 -6.410 -5.243 -5.243 469 H GLY 62 H GLY 62 -3.341 -7.899 -7.899 470 1HA GLY 62 2HA GLY 62 -2.325 -9.334 -9.334 471 2HA GLY 62 1HA GLY 62 -1.242 -7.996 -7.996 472 H ILE 63 H ILE 63 -1.112 -7.468 -7.468 473 HA ILE 63 HA ILE 63 1.285 -8.875 -8.875 474 HB ILE 63 HB ILE 63 -0.480 -7.122 -7.122 475 1HG1 ILE 63 2HG1 ILE 63 0.722 -5.750 -5.750 476 2HG1 ILE 63 1HG1 ILE 63 1.797 -5.812 -5.812 477 1HG2 ILE 63 1HG2 ILE 63 1.610 -8.930 -8.930 478 2HG2 ILE 63 3HG2 ILE 63 1.818 -7.259 -7.259 479 3HG2 ILE 63 2HG2 ILE 63 0.325 -8.120 -8.120 480 1HD1 ILE 63 3HD1 ILE 63 2.846 -7.819 -7.819 481 2HD1 ILE 63 2HD1 ILE 63 2.099 -7.000 -7.000 482 3HD1 ILE 63 1HD1 ILE 63 3.274 -6.148 -6.148 483 H ALA 64 H ALA 64 1.750 -10.453 -10.453 484 HA ALA 64 HA ALA 64 -0.403 -12.372 -12.372 485 1HB ALA 64 1HB ALA 64 2.181 -12.712 -12.712 486 2HB ALA 64 3HB ALA 64 2.267 -12.984 -12.984 487 3HB ALA 64 2HB ALA 64 1.190 -13.965 -13.965 488 H ASP 65 H ASP 65 -1.422 -12.824 -12.824 489 HA ASP 65 HA ASP 65 -1.250 -11.137 -11.137 490 1HB ASP 65 2HB ASP 65 -2.633 -12.951 -12.951 491 2HB ASP 65 1HB ASP 65 -3.302 -12.281 -12.281 492 H ASP 66 H ASP 66 0.603 -13.877 -13.877 493 HA ASP 66 HA ASP 66 1.423 -14.799 -14.799 494 1HB ASP 66 2HB ASP 66 1.967 -15.428 -15.428 495 2HB ASP 66 1HB ASP 66 3.524 -15.085 -15.085 496 H TYR 67 H TYR 67 2.275 -12.011 -12.011 497 HA TYR 67 HA TYR 67 4.832 -11.414 -11.414 498 1HB TYR 67 2HB TYR 67 2.476 -9.583 -9.583 499 2HB TYR 67 1HB TYR 67 4.111 -8.999 -8.999 500 HD1 TYR 67 HD1 TYR 67 4.140 -12.046 -12.046 501 HD2 TYR 67 HD2 TYR 67 3.545 -7.854 -7.854 502 HE1 TYR 67 HE1 TYR 67 4.597 -12.202 -12.202 503 HE2 TYR 67 HE2 TYR 67 3.991 -7.992 -7.992 504 HH TYR 67 HH TYR 67 3.972 -9.616 -9.616 505 H ASP 68 H ASP 68 5.162 -9.321 -9.321 506 HA ASP 68 HA ASP 68 4.219 -10.134 -10.134 507 1HB ASP 68 2HB ASP 68 6.353 -8.105 -8.105 508 2HB ASP 68 1HB ASP 68 6.031 -8.791 -8.791 509 H LYS 69 H LYS 69 2.083 -9.219 -9.219 510 HA LYS 69 HA LYS 69 1.318 -6.752 -6.752 511 1HB LYS 69 2HB LYS 69 0.113 -8.444 -8.444 512 2HB LYS 69 1HB LYS 69 -0.676 -7.043 -7.043 513 1HG LYS 69 2HG LYS 69 -0.311 -8.292 -8.292 514 2HG LYS 69 1HG LYS 69 -0.104 -9.710 -9.710 515 1HD LYS 69 2HD LYS 69 -2.463 -7.938 -7.938 516 2HD LYS 69 1HD LYS 69 -2.471 -9.055 -9.055 517 1HE LYS 69 2HE LYS 69 -1.790 -9.984 -9.984 518 2HE LYS 69 1HE LYS 69 -3.467 -9.844 -9.844 519 1HZ LYS 69 1HZ LYS 69 -2.678 -11.255 -11.255 520 2HZ LYS 69 3HZ LYS 69 -1.359 -11.649 -11.649 521 3HZ LYS 69 2HZ LYS 69 -2.931 -12.022 -12.022 522 H LYS 70 H LYS 70 2.359 -7.688 -7.688 523 HA LYS 70 HA LYS 70 1.823 -5.310 -5.310 524 1HB LYS 70 2HB LYS 70 4.144 -7.196 -7.196 525 2HB LYS 70 1HB LYS 70 3.560 -6.001 -6.001 526 1HG LYS 70 2HG LYS 70 2.202 -7.534 -7.534 527 2HG LYS 70 1HG LYS 70 1.330 -7.549 -7.549 528 1HD LYS 70 2HD LYS 70 2.200 -9.528 -9.528 529 2HD LYS 70 1HD LYS 70 3.812 -9.102 -9.102 530 1HE LYS 70 2HE LYS 70 1.588 -9.768 -9.768 531 2HE LYS 70 1HE LYS 70 2.576 -11.029 -11.029 532 1HZ LYS 70 1HZ LYS 70 4.479 -9.430 -9.430 533 2HZ LYS 70 3HZ LYS 70 3.285 -9.059 -9.059 534 3HZ LYS 70 2HZ LYS 70 3.810 -10.656 -10.656 535 H LYS 71 H LYS 71 4.893 -6.311 -6.311 536 HA LYS 71 HA LYS 71 5.990 -3.655 -3.655 537 1HB LYS 71 2HB LYS 71 7.238 -5.935 -5.935 538 2HB LYS 71 1HB LYS 71 7.210 -5.838 -5.838 539 1HG LYS 71 2HG LYS 71 8.327 -3.612 -3.612 540 2HG LYS 71 1HG LYS 71 8.498 -3.909 -3.909 541 1HD LYS 71 2HD LYS 71 10.160 -5.408 -5.408 542 2HD LYS 71 1HD LYS 71 9.427 -6.088 -6.088 543 1HE LYS 71 2HE LYS 71 10.507 -3.337 -3.337 544 2HE LYS 71 1HE LYS 71 11.677 -4.648 -4.648 545 1HZ LYS 71 3HZ LYS 71 10.355 -5.720 -5.720 546 2HZ LYS 71 2HZ LYS 71 9.696 -4.184 -4.184 547 3HZ LYS 71 1HZ LYS 71 11.365 -4.419 -4.419 548 H LEU 72 H LEU 72 4.249 -5.444 -5.444 549 HA LEU 72 HA LEU 72 5.061 -4.325 -4.325 550 1HB LEU 72 2HB LEU 72 3.018 -5.976 -5.976 551 2HB LEU 72 1HB LEU 72 2.152 -4.568 -4.568 552 HG LEU 72 HG LEU 72 2.403 -6.277 -6.277 553 1HD1 LEU 72 3HD1 LEU 72 2.567 -3.664 -3.664 554 2HD1 LEU 72 2HD1 LEU 72 4.182 -4.080 -4.080 555 3HD1 LEU 72 1HD1 LEU 72 2.763 -4.785 -4.785 556 1HD2 LEU 72 2HD2 LEU 72 4.810 -6.809 -6.809 557 2HD2 LEU 72 1HD2 LEU 72 4.363 -7.208 -7.208 558 3HD2 LEU 72 3HD2 LEU 72 5.295 -5.750 -5.750 559 H VAL 73 H VAL 73 2.193 -3.198 -3.198 560 HA VAL 73 HA VAL 73 2.238 -0.676 -0.676 561 HB VAL 73 HB VAL 73 0.133 -1.835 -1.835 562 1HG1 VAL 73 3HG1 VAL 73 1.137 -2.356 -2.356 563 2HG1 VAL 73 2HG1 VAL 73 0.584 -0.737 -0.737 564 3HG1 VAL 73 1HG1 VAL 73 -0.575 -1.950 -1.950 565 1HG2 VAL 73 3HG2 VAL 73 0.723 0.869 0.869 566 2HG2 VAL 73 2HG2 VAL 73 -0.881 0.137 0.137 567 3HG2 VAL 73 1HG2 VAL 73 -0.224 0.698 0.698 568 H LYS 74 H LYS 74 3.046 -1.816 -1.816 569 HA LYS 74 HA LYS 74 3.366 0.605 0.605 570 1HB LYS 74 2HB LYS 74 3.516 -1.551 -1.551 571 2HB LYS 74 1HB LYS 74 5.022 -1.906 -1.906 572 1HG LYS 74 2HG LYS 74 5.642 0.453 0.453 573 2HG LYS 74 1HG LYS 74 4.510 -0.214 -0.214 574 1HD LYS 74 2HD LYS 74 6.142 -2.358 -2.358 575 2HD LYS 74 1HD LYS 74 7.245 -0.984 -0.984 576 1HE LYS 74 2HE LYS 74 5.253 -1.641 -1.641 577 2HE LYS 74 1HE LYS 74 6.912 -2.239 -2.239 578 1HZ LYS 74 1HZ LYS 74 6.562 0.630 0.630 579 2HZ LYS 74 3HZ LYS 74 6.200 0.010 0.010 580 3HZ LYS 74 2HZ LYS 74 7.738 -0.219 -0.219 581 H ALA 75 H ALA 75 5.704 -1.155 -1.155 582 HA ALA 75 HA ALA 75 7.854 0.628 0.628 583 1HB ALA 75 3HB ALA 75 7.183 -1.340 -1.340 584 2HB ALA 75 2HB ALA 75 8.652 -0.366 -0.366 585 3HB ALA 75 1HB ALA 75 8.370 -1.495 -1.495 586 H PHE 76 H PHE 76 5.048 0.688 0.688 587 HA PHE 76 HA PHE 76 5.936 2.595 2.595 588 1HB PHE 76 2HB PHE 76 3.813 1.077 1.077 589 2HB PHE 76 1HB PHE 76 3.067 2.426 2.426 590 HD1 PHE 76 HD1 PHE 76 4.541 1.308 1.308 591 HD2 PHE 76 HD2 PHE 76 2.616 4.502 4.502 592 HE1 PHE 76 HE1 PHE 76 4.145 2.444 2.444 593 HE2 PHE 76 HE2 PHE 76 2.216 5.641 5.641 594 HZ PHE 76 HZ PHE 76 2.982 4.611 4.611 595 H LYS 77 H LYS 77 4.118 2.949 2.949 596 HA LYS 77 HA LYS 77 3.903 5.772 5.772 597 1HB LYS 77 2HB LYS 77 3.644 3.816 3.816 598 2HB LYS 77 1HB LYS 77 3.447 5.548 5.548 599 1HG LYS 77 2HG LYS 77 1.491 5.624 5.624 600 2HG LYS 77 1HG LYS 77 1.859 4.137 4.137 601 1HD LYS 77 2HD LYS 77 1.533 3.950 3.950 602 2HD LYS 77 1HD LYS 77 0.081 4.221 4.221 603 1HE LYS 77 2HE LYS 77 0.696 2.257 2.257 604 2HE LYS 77 1HE LYS 77 2.054 1.960 1.960 605 1HZ LYS 77 1HZ LYS 77 0.021 2.111 2.111 606 2HZ LYS 77 3HZ LYS 77 -0.770 1.447 1.447 607 3HZ LYS 77 2HZ LYS 77 0.575 0.664 0.664 608 H LYS 78 H LYS 78 6.547 3.769 3.769 609 HA LYS 78 HA LYS 78 7.921 5.768 5.768 610 1HB LYS 78 2HB LYS 78 8.728 2.982 2.982 611 2HB LYS 78 1HB LYS 78 9.703 4.038 4.038 612 1HG LYS 78 2HG LYS 78 6.928 3.131 3.131 613 2HG LYS 78 1HG LYS 78 8.401 2.305 2.305 614 1HD LYS 78 2HD LYS 78 9.155 4.431 4.431 615 2HD LYS 78 1HD LYS 78 7.589 5.138 5.138 616 1HE LYS 78 2HE LYS 78 6.502 3.992 3.992 617 2HE LYS 78 1HE LYS 78 7.518 2.562 2.562 618 1HZ LYS 78 3HZ LYS 78 8.749 4.961 4.961 619 2HZ LYS 78 2HZ LYS 78 7.665 4.110 4.110 620 3HZ LYS 78 1HZ LYS 78 9.031 3.332 3.332 621 H LYS 79 H LYS 79 7.657 4.708 4.708 622 HA LYS 79 HA LYS 79 10.225 5.902 5.902 623 1HB LYS 79 2HB LYS 79 9.244 3.601 3.601 624 2HB LYS 79 1HB LYS 79 8.391 4.627 4.627 625 1HG LYS 79 2HG LYS 79 11.035 5.511 5.511 626 2HG LYS 79 1HG LYS 79 11.132 3.750 3.750 627 1HD LYS 79 2HD LYS 79 9.507 3.664 3.664 628 2HD LYS 79 1HD LYS 79 9.603 5.423 5.423 629 1HE LYS 79 2HE LYS 79 11.759 3.398 3.398 630 2HE LYS 79 1HE LYS 79 11.097 4.603 4.603 631 1HZ LYS 79 2HZ LYS 79 12.015 6.195 6.195 632 2HZ LYS 79 1HZ LYS 79 13.089 4.907 4.907 633 3HZ LYS 79 3HZ LYS 79 12.980 5.672 5.672 634 H PHE 80 H PHE 80 6.775 6.101 6.101 635 HA PHE 80 HA PHE 80 7.323 8.734 8.734 636 1HB PHE 80 2HB PHE 80 4.767 7.254 7.254 637 2HB PHE 80 1HB PHE 80 5.599 8.409 8.409 638 HD1 PHE 80 HD1 PHE 80 5.655 4.936 4.936 639 HD2 PHE 80 HD2 PHE 80 7.152 7.696 7.696 640 HE1 PHE 80 HE1 PHE 80 6.637 3.076 3.076 641 HE2 PHE 80 HE2 PHE 80 8.138 5.838 5.838 642 HZ PHE 80 HZ PHE 80 7.880 3.523 3.523 643 H ALA 81 H ALA 81 5.876 7.239 7.239 644 HA ALA 81 HA ALA 81 4.618 8.034 8.034 645 1HB ALA 81 2HB ALA 81 5.708 10.508 10.508 646 2HB ALA 81 1HB ALA 81 4.379 10.681 10.681 647 3HB ALA 81 3HB ALA 81 5.873 9.885 9.885 648 H CYS 82 H CYS 82 3.223 7.011 7.011 649 HA CYS 82 HA CYS 82 0.938 8.846 8.846 650 1HB CYS 82 2HB CYS 82 1.785 6.509 6.509 651 2HB CYS 82 1HB CYS 82 0.320 7.453 7.453 652 HG CYS 82 HG CYS 82 2.682 8.147 8.147 653 H ASN 83 H ASN 83 -1.043 8.246 8.246 654 HA ASN 83 HA ASN 83 -1.304 6.238 6.238 655 1HB ASN 83 2HB ASN 83 -3.075 8.156 8.156 656 2HB ASN 83 1HB ASN 83 -3.886 6.682 6.682 657 1HD2 ASN 83 2HD2 ASN 83 -2.834 7.289 7.289 658 2HD2 ASN 83 1HD2 ASN 83 -2.614 6.049 6.049 659 H GLY 84 H GLY 84 -0.709 4.224 4.224 660 1HA GLY 84 2HA GLY 84 -2.172 3.105 3.105 661 2HA GLY 84 1HA GLY 84 -0.682 2.459 2.459 662 H THR 85 H THR 85 -3.671 1.579 1.579 663 HA THR 85 HA THR 85 -3.764 0.048 0.048 664 HB THR 85 HB THR 85 -6.214 0.382 0.382 665 HG1 THR 85 HG1 THR 85 -6.695 0.962 0.962 666 1HG2 THR 85 1HG2 THR 85 -4.615 2.928 2.928 667 2HG2 THR 85 3HG2 THR 85 -6.222 2.722 2.722 668 3HG2 THR 85 2HG2 THR 85 -4.859 1.803 1.803 669 H VAL 86 H VAL 86 -3.933 -2.042 -2.042 670 HA VAL 86 HA VAL 86 -4.567 -2.997 -2.997 671 HB VAL 86 HB VAL 86 -2.721 -4.011 -4.011 672 1HG1 VAL 86 2HG1 VAL 86 -4.299 -3.838 -3.838 673 2HG1 VAL 86 1HG1 VAL 86 -4.514 -5.540 -5.540 674 3HG1 VAL 86 3HG1 VAL 86 -2.897 -4.901 -4.901 675 1HG2 VAL 86 2HG2 VAL 86 -4.467 -5.272 -5.272 676 2HG2 VAL 86 1HG2 VAL 86 -3.050 -6.054 -6.054 677 3HG2 VAL 86 3HG2 VAL 86 -4.629 -6.257 -6.257 678 H ILE 87 H ILE 87 -6.592 -3.423 -3.423 679 HA ILE 87 HA ILE 87 -8.461 -4.527 -4.527 680 HB ILE 87 HB ILE 87 -10.251 -3.172 -3.172 681 1HG1 ILE 87 2HG1 ILE 87 -9.898 -3.334 -3.334 682 2HG1 ILE 87 1HG1 ILE 87 -10.295 -1.700 -1.700 683 1HG2 ILE 87 3HG2 ILE 87 -7.970 -2.017 -2.017 684 2HG2 ILE 87 2HG2 ILE 87 -8.418 -0.937 -0.937 685 3HG2 ILE 87 1HG2 ILE 87 -9.572 -1.282 -1.282 686 1HD1 ILE 87 2HD1 ILE 87 -7.513 -1.833 -1.833 687 2HD1 ILE 87 1HD1 ILE 87 -8.001 -2.656 -2.656 688 3HD1 ILE 87 3HD1 ILE 87 -8.527 -1.002 -1.002 689 H GLU 88 H GLU 88 -10.037 -5.959 -5.959 690 HA GLU 88 HA GLU 88 -9.228 -7.325 -7.325 691 1HB GLU 88 2HB GLU 88 -10.076 -8.302 -8.302 692 2HB GLU 88 1HB GLU 88 -11.625 -8.209 -8.209 693 1HG GLU 88 2HG GLU 88 -11.023 -9.767 -9.767 694 2HG GLU 88 1HG GLU 88 -9.297 -9.501 -9.501 695 H HIS 89 H HIS 89 -9.831 -5.617 -5.617 696 HA HIS 89 HA HIS 89 -12.374 -4.527 -4.527 697 1HB HIS 89 2HB HIS 89 -10.041 -4.092 -4.092 698 2HB HIS 89 1HB HIS 89 -10.792 -5.075 -5.075 699 HD1 HIS 89 HD1 HIS 89 -12.340 -3.901 -3.901 700 HD2 HIS 89 HD2 HIS 89 -11.591 -1.700 -1.700 701 HE1 HIS 89 HE1 HIS 89 -13.455 -1.679 -1.679 702 HE2 HIS 89 HE2 HIS 89 -12.916 -0.330 -0.330 703 HA PRO 90 HA PRO 90 -14.681 -7.951 -7.951 704 1HB PRO 90 2HB PRO 90 -16.938 -6.680 -6.680 705 2HB PRO 90 1HB PRO 90 -16.449 -6.861 -6.861 706 1HG PRO 90 2HG PRO 90 -16.193 -4.487 -4.487 707 2HG PRO 90 1HG PRO 90 -16.669 -4.553 -4.553 708 1HD PRO 90 2HD PRO 90 -14.140 -3.908 -3.908 709 2HD PRO 90 1HD PRO 90 -14.503 -4.546 -4.546 710 H GLU 91 H GLU 91 -13.782 -5.192 -5.192 711 HA GLU 91 HA GLU 91 -14.861 -6.199 -6.199 712 1HB GLU 91 2HB GLU 91 -13.900 -3.709 -3.709 713 2HB GLU 91 1HB GLU 91 -12.893 -4.165 -4.165 714 1HG GLU 91 2HG GLU 91 -15.886 -4.231 -4.231 715 2HG GLU 91 1HG GLU 91 -14.964 -2.761 -2.761 716 H TYR 92 H TYR 92 -11.923 -6.440 -6.440 717 HA TYR 92 HA TYR 92 -10.715 -7.925 -7.925 718 1HB TYR 92 2HB TYR 92 -8.991 -6.426 -6.426 719 2HB TYR 92 1HB TYR 92 -8.652 -6.903 -6.903 720 HD1 TYR 92 HD1 TYR 92 -10.588 -5.818 -5.818 721 HD2 TYR 92 HD2 TYR 92 -9.091 -4.138 -4.138 722 HE1 TYR 92 HE1 TYR 92 -11.232 -3.584 -3.584 723 HE2 TYR 92 HE2 TYR 92 -9.733 -1.895 -1.895 724 HH TYR 92 HH TYR 92 -10.113 -0.898 -0.898 725 H GLY 93 H GLY 93 -10.426 -7.324 -7.324 726 1HA GLY 93 2HA GLY 93 -10.678 -9.064 -9.064 727 2HA GLY 93 1HA GLY 93 -10.217 -10.229 -10.229 728 H GLU 94 H GLU 94 -9.175 -8.378 -8.378 729 HA GLU 94 HA GLU 94 -7.202 -8.257 -8.257 730 1HB GLU 94 2HB GLU 94 -7.177 -10.745 -10.745 731 2HB GLU 94 1HB GLU 94 -5.763 -10.086 -10.086 732 1HG GLU 94 2HG GLU 94 -4.824 -10.968 -10.968 733 2HG GLU 94 1HG GLU 94 -5.102 -9.302 -9.302 734 H VAL 95 H VAL 95 -7.127 -6.076 -6.076 735 HA VAL 95 HA VAL 95 -4.704 -5.721 -5.721 736 HB VAL 95 HB VAL 95 -5.745 -3.901 -3.901 737 1HG1 VAL 95 1HG1 VAL 95 -6.900 -6.660 -6.660 738 2HG1 VAL 95 3HG1 VAL 95 -7.403 -5.404 -5.404 739 3HG1 VAL 95 2HG1 VAL 95 -5.709 -5.885 -5.885 740 1HG2 VAL 95 3HG2 VAL 95 -7.866 -4.275 -4.275 741 2HG2 VAL 95 2HG2 VAL 95 -7.615 -2.966 -2.966 742 3HG2 VAL 95 1HG2 VAL 95 -8.487 -4.417 -4.417 743 H ILE 96 H ILE 96 -3.459 -3.974 -3.974 744 HA ILE 96 HA ILE 96 -4.018 -2.847 -2.847 745 HB ILE 96 HB ILE 96 -1.782 -2.554 -2.554 746 1HG1 ILE 96 2HG1 ILE 96 -2.260 -4.265 -4.265 747 2HG1 ILE 96 1HG1 ILE 96 -0.656 -3.877 -3.877 748 1HG2 ILE 96 3HG2 ILE 96 -2.241 -0.768 -0.768 749 2HG2 ILE 96 2HG2 ILE 96 -0.683 -0.956 -0.956 750 3HG2 ILE 96 1HG2 ILE 96 -2.055 -0.285 -0.285 751 1HD1 ILE 96 2HD1 ILE 96 -1.921 -2.303 -2.303 752 2HD1 ILE 96 1HD1 ILE 96 -1.030 -3.796 -3.796 753 3HD1 ILE 96 3HD1 ILE 96 -0.217 -2.420 -2.420 754 H GLN 97 H GLN 97 -4.217 -0.587 -0.587 755 HA GLN 97 HA GLN 97 -5.315 1.008 1.008 756 1HB GLN 97 2HB GLN 97 -6.759 -0.027 -0.027 757 2HB GLN 97 1HB GLN 97 -6.521 1.671 1.671 758 1HG GLN 97 2HG GLN 97 -7.475 2.278 2.278 759 2HG GLN 97 1HG GLN 97 -7.764 0.568 0.568 760 1HE2 GLN 97 2HE2 GLN 97 -10.941 0.916 0.916 761 2HE2 GLN 97 1HE2 GLN 97 -9.921 0.459 0.459 762 H LEU 98 H LEU 98 -3.542 2.310 2.310 763 HA LEU 98 HA LEU 98 -2.349 3.637 3.637 764 1HB LEU 98 2HB LEU 98 -1.806 3.817 3.817 765 2HB LEU 98 1HB LEU 98 -0.924 4.724 4.724 766 HG LEU 98 HG LEU 98 -1.040 1.715 1.715 767 1HD1 LEU 98 1HD1 LEU 98 0.734 3.600 3.600 768 2HD1 LEU 98 3HD1 LEU 98 1.392 2.083 2.083 769 3HD1 LEU 98 2HD1 LEU 98 0.039 2.065 2.065 770 1HD2 LEU 98 1HD2 LEU 98 0.385 3.802 3.802 771 2HD2 LEU 98 3HD2 LEU 98 -0.305 2.266 2.266 772 3HD2 LEU 98 2HD2 LEU 98 1.229 2.291 2.291 773 H GLN 99 H GLN 99 -2.158 5.982 5.982 774 HA GLN 99 HA GLN 99 -4.648 7.257 7.257 775 1HB GLN 99 2HB GLN 99 -3.086 7.377 7.377 776 2HB GLN 99 1HB GLN 99 -3.076 8.978 8.978 777 1HG GLN 99 2HG GLN 99 -5.623 7.453 7.453 778 2HG GLN 99 1HG GLN 99 -4.914 8.427 8.427 779 1HE2 GLN 99 2HE2 GLN 99 -5.526 11.529 11.529 780 2HE2 GLN 99 1HE2 GLN 99 -4.383 10.704 10.704 781 H GLY 100 H GLY 100 -4.728 9.079 9.079 782 1HA GLY 100 2HA GLY 100 -3.950 10.837 10.837 783 2HA GLY 100 1HA GLY 100 -2.321 10.493 10.493 784 H ASP 101 H ASP 101 -2.162 11.074 11.074 785 HA ASP 101 HA ASP 101 -2.731 8.837 8.837 786 1HB ASP 101 2HB ASP 101 -1.647 10.285 10.285 787 2HB ASP 101 1HB ASP 101 -3.037 11.022 11.022 788 H GLN 102 H GLN 102 -1.411 7.295 7.295 789 HA GLN 102 HA GLN 102 1.481 7.667 7.667 790 1HB GLN 102 2HB GLN 102 -0.325 5.973 5.973 791 2HB GLN 102 1HB GLN 102 1.228 5.275 5.275 792 1HG GLN 102 2HG GLN 102 1.038 6.512 6.512 793 2HG GLN 102 1HG GLN 102 2.417 6.881 6.881 794 1HE2 GLN 102 2HE2 GLN 102 -0.571 9.665 9.665 795 2HE2 GLN 102 1HE2 GLN 102 -0.924 7.983 7.983 796 H ARG 103 H ARG 103 -0.651 6.851 6.851 797 HA ARG 103 HA ARG 103 -0.303 4.284 4.284 798 1HB ARG 103 2HB ARG 103 -1.031 4.972 4.972 799 2HB ARG 103 1HB ARG 103 -1.710 6.171 6.171 800 1HG ARG 103 2HG ARG 103 0.896 6.673 6.673 801 2HG ARG 103 1HG ARG 103 -0.640 6.941 6.941 802 1HD ARG 103 2HD ARG 103 -0.481 8.099 8.099 803 2HD ARG 103 1HD ARG 103 0.659 8.781 8.781 804 HE ARG 103 HE ARG 103 -2.064 8.581 8.581 805 1HH1 ARG 103 2HH1 ARG 103 0.310 10.580 10.580 806 2HH1 ARG 103 1HH1 ARG 103 -0.501 12.062 12.062 807 1HH2 ARG 103 1HH2 ARG 103 -3.130 10.529 10.529 808 2HH2 ARG 103 2HH2 ARG 103 -2.454 12.034 12.034 809 H LYS 104 H LYS 104 1.933 6.969 6.969 810 HA LYS 104 HA LYS 104 3.823 5.332 5.332 811 1HB LYS 104 2HB LYS 104 3.302 7.886 7.886 812 2HB LYS 104 1HB LYS 104 4.436 8.092 8.092 813 1HG LYS 104 2HG LYS 104 5.684 8.333 8.333 814 2HG LYS 104 1HG LYS 104 6.079 6.735 6.735 815 1HD LYS 104 2HD LYS 104 5.642 6.035 6.035 816 2HD LYS 104 1HD LYS 104 3.951 6.169 6.169 817 1HE LYS 104 2HE LYS 104 4.160 7.303 7.303 818 2HE LYS 104 1HE LYS 104 4.011 8.542 8.542 819 1HZ LYS 104 1HZ LYS 104 6.566 8.512 8.512 820 2HZ LYS 104 3HZ LYS 104 6.392 7.757 7.757 821 3HZ LYS 104 2HZ LYS 104 5.746 9.301 9.301 822 H ASN 105 H ASN 105 3.207 6.486 6.486 823 HA ASN 105 HA ASN 105 5.818 6.121 6.121 824 1HB ASN 105 2HB ASN 105 3.151 6.081 6.081 825 2HB ASN 105 1HB ASN 105 4.729 6.337 6.337 826 1HD2 ASN 105 2HD2 ASN 105 3.938 9.719 9.719 827 2HD2 ASN 105 1HD2 ASN 105 4.099 8.320 8.320 828 H ILE 106 H ILE 106 2.869 4.123 4.123 829 HA ILE 106 HA ILE 106 3.936 1.990 1.990 830 HB ILE 106 HB ILE 106 1.524 2.268 2.268 831 1HG1 ILE 106 2HG1 ILE 106 1.029 -0.136 -0.136 832 2HG1 ILE 106 1HG1 ILE 106 2.699 -0.360 -0.360 833 1HG2 ILE 106 1HG2 ILE 106 1.736 2.920 2.920 834 2HG2 ILE 106 3HG2 ILE 106 2.037 1.225 1.225 835 3HG2 ILE 106 2HG2 ILE 106 0.492 1.711 1.711 836 1HD1 ILE 106 2HD1 ILE 106 3.456 0.308 0.308 837 2HD1 ILE 106 1HD1 ILE 106 1.775 0.478 0.478 838 3HD1 ILE 106 3HD1 ILE 106 2.400 -1.104 -1.104 839 H CYS 107 H CYS 107 3.683 2.454 2.454 840 HA CYS 107 HA CYS 107 4.908 0.059 0.059 841 1HB CYS 107 2HB CYS 107 3.823 1.440 1.440 842 2HB CYS 107 1HB CYS 107 4.890 2.794 2.794 843 HG CYS 107 HG CYS 107 5.441 0.624 0.624 844 H GLN 108 H GLN 108 6.145 3.081 3.081 845 HA GLN 108 HA GLN 108 8.907 2.560 2.560 846 1HB GLN 108 2HB GLN 108 8.515 4.824 4.824 847 2HB GLN 108 1HB GLN 108 7.303 4.646 4.646 848 1HG GLN 108 2HG GLN 108 8.871 5.558 5.558 849 2HG GLN 108 1HG GLN 108 9.521 3.923 3.923 850 1HE2 GLN 108 2HE2 GLN 108 12.254 4.608 4.608 851 2HE2 GLN 108 1HE2 GLN 108 11.138 3.379 3.379 852 H PHE 109 H PHE 109 6.707 2.168 2.168 853 HA PHE 109 HA PHE 109 8.653 1.416 1.416 854 1HB PHE 109 2HB PHE 109 6.405 2.212 2.212 855 2HB PHE 109 1HB PHE 109 5.693 0.786 0.786 856 HD1 PHE 109 HD1 PHE 109 8.175 1.733 1.733 857 HD2 PHE 109 HD2 PHE 109 5.218 -1.043 -1.043 858 HE1 PHE 109 HE1 PHE 109 8.374 0.535 0.535 859 HE2 PHE 109 HE2 PHE 109 5.412 -2.249 -2.249 860 HZ PHE 109 HZ PHE 109 6.991 -1.457 -1.457 861 H LEU 110 H LEU 110 6.387 -0.442 -0.442 862 HA LEU 110 HA LEU 110 7.101 -3.001 -3.001 863 1HB LEU 110 2HB LEU 110 5.923 -1.856 -1.856 864 2HB LEU 110 1HB LEU 110 6.402 -3.541 -3.541 865 HG LEU 110 HG LEU 110 4.781 -4.124 -4.124 866 1HD1 LEU 110 2HD1 LEU 110 5.272 -2.326 -2.326 867 2HD1 LEU 110 1HD1 LEU 110 4.368 -1.196 -1.196 868 3HD1 LEU 110 3HD1 LEU 110 3.539 -2.550 -2.550 869 1HD2 LEU 110 2HD2 LEU 110 3.977 -3.231 -3.231 870 2HD2 LEU 110 1HD2 LEU 110 2.803 -3.622 -3.622 871 3HD2 LEU 110 3HD2 LEU 110 3.258 -1.943 -1.943 872 H VAL 111 H VAL 111 8.697 -0.783 -0.783 873 HA VAL 111 HA VAL 111 10.555 -2.822 -2.822 874 HB VAL 111 HB VAL 111 10.437 0.132 0.132 875 1HG1 VAL 111 2HG1 VAL 111 12.238 -2.072 -2.072 876 2HG1 VAL 111 1HG1 VAL 111 11.792 -0.837 -0.837 877 3HG1 VAL 111 3HG1 VAL 111 12.601 -0.377 -0.377 878 1HG2 VAL 111 1HG2 VAL 111 8.601 -1.694 -1.694 879 2HG2 VAL 111 3HG2 VAL 111 9.048 -0.298 -0.298 880 3HG2 VAL 111 2HG2 VAL 111 9.770 -1.873 -1.873 881 H GLU 112 H GLU 112 10.405 -0.122 -0.122 882 HA GLU 112 HA GLU 112 13.209 0.130 0.130 883 1HB GLU 112 2HB GLU 112 10.784 1.051 1.051 884 2HB GLU 112 1HB GLU 112 12.403 1.289 1.289 885 1HG GLU 112 2HG GLU 112 12.091 2.165 2.165 886 2HG GLU 112 1HG GLU 112 11.063 3.022 3.022 887 H ILE 113 H ILE 113 10.626 -1.638 -1.638 888 HA ILE 113 HA ILE 113 12.525 -2.756 -2.756 889 HB ILE 113 HB ILE 113 10.681 -3.582 -3.582 890 1HG1 ILE 113 2HG1 ILE 113 8.981 -3.007 -3.007 891 2HG1 ILE 113 1HG1 ILE 113 9.412 -4.597 -4.597 892 1HG2 ILE 113 2HG2 ILE 113 11.038 -1.064 -1.064 893 2HG2 ILE 113 1HG2 ILE 113 9.600 -1.016 -1.016 894 3HG2 ILE 113 3HG2 ILE 113 9.489 -1.628 -1.628 895 1HD1 ILE 113 3HD1 ILE 113 8.112 -2.963 -2.963 896 2HD1 ILE 113 2HD1 ILE 113 7.121 -3.184 -3.184 897 3HD1 ILE 113 1HD1 ILE 113 7.727 -4.589 -4.589 898 H GLY 114 H GLY 114 11.195 -3.552 -3.552 899 1HA GLY 114 2HA GLY 114 11.698 -5.403 -5.403 900 2HA GLY 114 1HA GLY 114 12.445 -6.160 -6.160 901 H LEU 115 H LEU 115 9.205 -4.840 -4.840 902 HA LEU 115 HA LEU 115 8.115 -7.346 -7.346 903 1HB LEU 115 2HB LEU 115 7.458 -4.945 -4.945 904 2HB LEU 115 1HB LEU 115 6.497 -4.941 -4.941 905 HG LEU 115 HG LEU 115 5.158 -6.762 -6.762 906 1HD1 LEU 115 1HD1 LEU 115 7.332 -7.023 -7.023 907 2HD1 LEU 115 3HD1 LEU 115 5.695 -7.347 -7.347 908 3HD1 LEU 115 2HD1 LEU 115 6.354 -8.264 -8.264 909 1HD2 LEU 115 2HD2 LEU 115 4.905 -4.318 -4.318 910 2HD2 LEU 115 1HD2 LEU 115 3.940 -5.618 -5.618 911 3HD2 LEU 115 3HD2 LEU 115 5.375 -5.033 -5.033 912 H ALA 116 H ALA 116 6.765 -5.220 -5.220 913 HA ALA 116 HA ALA 116 5.675 -7.456 -7.456 914 1HB ALA 116 1HB ALA 116 4.715 -5.092 -5.092 915 2HB ALA 116 3HB ALA 116 5.886 -4.668 -4.668 916 3HB ALA 116 2HB ALA 116 4.658 -5.893 -5.893 917 H LYS 117 H LYS 117 6.075 -6.721 -6.721 918 HA LYS 117 HA LYS 117 8.982 -6.953 -6.953 919 1HB LYS 117 2HB LYS 117 6.898 -8.897 -8.897 920 2HB LYS 117 1HB LYS 117 8.026 -8.510 -8.510 921 1HG LYS 117 2HG LYS 117 9.061 -9.214 -9.214 922 2HG LYS 117 1HG LYS 117 8.519 -10.484 -10.484 923 1HD LYS 117 2HD LYS 117 10.724 -10.368 -10.368 924 2HD LYS 117 1HD LYS 117 10.049 -9.175 -9.175 925 1HE LYS 117 2HE LYS 117 10.773 -7.372 -7.372 926 2HE LYS 117 1HE LYS 117 11.122 -8.431 -8.431 927 1HZ LYS 117 3HZ LYS 117 12.909 -9.434 -9.434 928 2HZ LYS 117 2HZ LYS 117 12.593 -8.360 -8.360 929 3HZ LYS 117 1HZ LYS 117 13.152 -7.773 -7.773 930 H ASP 118 H ASP 118 9.791 -5.999 -5.999 931 HA ASP 118 HA ASP 118 8.433 -3.799 -3.799 932 1HB ASP 118 2HB ASP 118 10.160 -3.965 -3.965 933 2HB ASP 118 1HB ASP 118 10.744 -3.709 -3.709 934 H ASP 119 H ASP 119 8.404 -7.113 -7.113 935 HA ASP 119 HA ASP 119 7.099 -6.559 -6.559 936 1HB ASP 119 2HB ASP 119 6.794 -9.039 -9.039 937 2HB ASP 119 1HB ASP 119 8.470 -8.549 -8.549 938 H GLN 120 H GLN 120 6.194 -6.975 -6.975 939 HA GLN 120 HA GLN 120 3.391 -7.434 -7.434 940 1HB GLN 120 2HB GLN 120 4.753 -7.469 -7.469 941 2HB GLN 120 1HB GLN 120 3.076 -7.890 -7.890 942 1HG GLN 120 2HG GLN 120 4.115 -9.642 -9.642 943 2HG GLN 120 1HG GLN 120 5.557 -9.402 -9.402 944 1HE2 GLN 120 2HE2 GLN 120 3.460 -10.411 -10.411 945 2HE2 GLN 120 1HE2 GLN 120 4.107 -8.898 -8.898 946 H LEU 121 H LEU 121 5.486 -4.905 -4.905 947 HA LEU 121 HA LEU 121 4.042 -3.206 -3.206 948 1HB LEU 121 2HB LEU 121 5.968 -2.706 -2.706 949 2HB LEU 121 1HB LEU 121 5.191 -1.366 -1.366 950 HG LEU 121 HG LEU 121 6.909 -3.458 -3.458 951 1HD1 LEU 121 1HD1 LEU 121 7.748 -1.367 -1.367 952 2HD1 LEU 121 3HD1 LEU 121 7.821 -0.692 -0.692 953 3HD1 LEU 121 2HD1 LEU 121 8.707 -2.169 -2.169 954 1HD2 LEU 121 1HD2 LEU 121 5.124 -1.371 -1.371 955 2HD2 LEU 121 3HD2 LEU 121 5.772 -2.801 -2.801 956 3HD2 LEU 121 2HD2 LEU 121 6.747 -1.336 -1.336 957 H LYS 122 H LYS 122 1.859 -3.280 -3.280 958 HA LYS 122 HA LYS 122 0.960 -2.151 -2.151 959 1HB LYS 122 2HB LYS 122 -0.072 -4.321 -4.321 960 2HB LYS 122 1HB LYS 122 -1.289 -3.248 -3.248 961 1HG LYS 122 2HG LYS 122 0.808 -4.638 -4.638 962 2HG LYS 122 1HG LYS 122 -0.811 -5.281 -5.281 963 1HD LYS 122 2HD LYS 122 -1.796 -3.776 -3.776 964 2HD LYS 122 1HD LYS 122 -0.648 -2.498 -2.498 965 1HE LYS 122 2HE LYS 122 1.059 -3.668 -3.668 966 2HE LYS 122 1HE LYS 122 -0.164 -4.851 -4.851 967 1HZ LYS 122 2HZ LYS 122 -1.466 -2.793 -2.793 968 2HZ LYS 122 1HZ LYS 122 0.031 -2.006 -2.006 969 3HZ LYS 122 3HZ LYS 122 -0.192 -3.355 -3.355 970 H VAL 123 H VAL 123 1.169 0.014 0.014 971 HA VAL 123 HA VAL 123 -0.531 0.848 0.848 972 HB VAL 123 HB VAL 123 1.797 1.660 1.660 973 1HG1 VAL 123 1HG1 VAL 123 1.675 1.857 1.857 974 2HG1 VAL 123 3HG1 VAL 123 1.251 3.522 3.522 975 3HG1 VAL 123 2HG1 VAL 123 2.777 2.843 2.843 976 1HG2 VAL 123 3HG2 VAL 123 -0.026 2.966 2.966 977 2HG2 VAL 123 2HG2 VAL 123 1.304 3.977 3.977 978 3HG2 VAL 123 1HG2 VAL 123 -0.190 3.883 3.883 979 H HIS 124 H HIS 124 -2.419 1.874 1.874 980 HA HIS 124 HA HIS 124 -2.904 3.108 3.108 981 1HB HIS 124 2HB HIS 124 -4.975 1.437 1.437 982 2HB HIS 124 1HB HIS 124 -5.051 2.092 2.092 983 HD1 HIS 124 HD1 HIS 124 -4.428 0.514 0.514 984 HD2 HIS 124 HD2 HIS 124 -2.805 -0.587 -0.587 985 HE1 HIS 124 HE1 HIS 124 -3.281 -1.685 -1.685 986 HE2 HIS 124 HE2 HIS 124 -2.456 -2.406 -2.406 987 H GLY 125 H GLY 125 -2.615 5.151 5.151 988 1HA GLY 125 2HA GLY 125 -3.915 6.044 6.044 989 2HA GLY 125 1HA GLY 125 -3.350 7.078 7.078 990 H PHE 126 HN PHE 126 -6.014 6.196 6.196 991 HA PHE 126 HA PHE 126 -8.089 5.803 5.803 992 1HB PHE 126 2HB PHE 126 -9.459 6.292 6.292 993 2HB PHE 126 1HB PHE 126 -7.943 6.215 6.215 994 HD1 PHE 126 HD1 PHE 126 -6.653 8.485 8.485 995 HD2 PHE 126 HD2 PHE 126 -10.805 8.137 8.137 996 HE1 PHE 126 HE1 PHE 126 -7.006 10.790 10.790 997 HE2 PHE 126 HE2 PHE 126 -11.166 10.441 10.441 998 HZ PHE 126 HZ PHE 126 -9.266 11.769 11.769 Start of MODEL 11 1 1H MET 1 2H MET 1 4.592 -43.846 -43.846 2 2H MET 1 1H MET 1 5.168 -45.459 -45.459 3 3H MET 1 3H MET 1 5.877 -44.217 -44.217 4 HA MET 1 HA MET 1 4.544 -45.244 -45.244 5 1HB MET 1 2HB MET 1 2.254 -46.003 -46.003 6 2HB MET 1 1HB MET 1 3.492 -46.770 -46.770 7 1HG MET 1 2HG MET 1 2.869 -44.657 -44.657 8 2HG MET 1 1HG MET 1 1.321 -44.947 -44.947 9 1HE MET 1 1HE MET 1 4.309 -46.989 -46.989 10 2HE MET 1 3HE MET 1 3.734 -46.094 -46.094 11 3HE MET 1 2HE MET 1 3.561 -47.849 -47.849 12 H ARG 2 H ARG 2 4.958 -42.954 -42.954 13 HA ARG 2 HA ARG 2 2.606 -41.230 -41.230 14 1HB ARG 2 2HB ARG 2 5.427 -40.742 -40.742 15 2HB ARG 2 1HB ARG 2 4.701 -39.845 -39.845 16 1HG ARG 2 2HG ARG 2 3.168 -39.612 -39.612 17 2HG ARG 2 1HG ARG 2 4.833 -39.057 -39.057 18 1HD ARG 2 2HD ARG 2 4.577 -37.563 -37.563 19 2HD ARG 2 1HD ARG 2 2.945 -38.166 -38.166 20 HE ARG 2 HE ARG 2 3.767 -36.249 -36.249 21 1HH1 ARG 2 2HH1 ARG 2 1.340 -38.599 -38.599 22 2HH1 ARG 2 1HH1 ARG 2 0.103 -37.866 -37.866 23 1HH2 ARG 2 1HH2 ARG 2 2.140 -35.285 -35.285 24 2HH2 ARG 2 2HH2 ARG 2 0.556 -35.985 -35.985 25 H GLY 3 H GLY 3 1.306 -40.757 -40.757 26 1HA GLY 3 2HA GLY 3 2.032 -41.855 -41.855 27 2HA GLY 3 1HA GLY 3 0.397 -41.515 -41.515 28 H SER 4 H SER 4 0.878 -38.903 -38.903 29 HA SER 4 HA SER 4 1.261 -37.471 -37.471 30 1HB SER 4 2HB SER 4 -0.223 -35.771 -35.771 31 2HB SER 4 1HB SER 4 -0.995 -37.334 -37.334 32 HG SER 4 HG SER 4 -0.992 -36.918 -36.918 33 H HIS 5 H HIS 5 3.239 -36.632 -36.632 34 HA HIS 5 HA HIS 5 4.183 -34.927 -34.927 35 1HB HIS 5 2HB HIS 5 6.504 -35.973 -35.973 36 2HB HIS 5 1HB HIS 5 5.304 -36.904 -36.904 37 HD1 HIS 5 HD1 HIS 5 7.864 -37.489 -37.489 38 HD2 HIS 5 HD2 HIS 5 3.890 -38.693 -38.693 39 HE1 HIS 5 HE1 HIS 5 7.728 -39.530 -39.530 40 HE2 HIS 5 HE2 HIS 5 5.332 -40.289 -40.289 41 H HIS 6 H HIS 6 3.142 -34.328 -34.328 42 HA HIS 6 HA HIS 6 5.415 -33.655 -33.655 43 1HB HIS 6 2HB HIS 6 3.107 -34.427 -34.427 44 2HB HIS 6 1HB HIS 6 2.569 -32.789 -32.789 45 HD1 HIS 6 HD1 HIS 6 5.971 -33.424 -33.424 46 HD2 HIS 6 HD2 HIS 6 2.226 -32.129 -32.129 47 HE1 HIS 6 HE1 HIS 6 6.314 -32.514 -32.514 48 HE2 HIS 6 HE2 HIS 6 4.019 -31.814 -31.814 49 H HIS 7 H HIS 7 3.034 -32.021 -32.021 50 HA HIS 7 HA HIS 7 4.660 -29.572 -29.572 51 1HB HIS 7 2HB HIS 7 1.661 -29.869 -29.869 52 2HB HIS 7 1HB HIS 7 2.459 -28.357 -28.357 53 HD1 HIS 7 HD1 HIS 7 2.485 -30.800 -30.800 54 HD2 HIS 7 HD2 HIS 7 2.733 -26.728 -26.728 55 HE1 HIS 7 HE1 HIS 7 2.598 -29.685 -29.685 56 HE2 HIS 7 HE2 HIS 7 2.660 -27.216 -27.216 57 H HIS 8 H HIS 8 5.696 -29.299 -29.299 58 HA HIS 8 HA HIS 8 4.711 -30.414 -30.414 59 1HB HIS 8 2HB HIS 8 7.214 -29.863 -29.863 60 2HB HIS 8 1HB HIS 8 6.961 -28.524 -28.524 61 HD1 HIS 8 HD1 HIS 8 5.135 -30.666 -30.666 62 HD2 HIS 8 HD2 HIS 8 9.157 -30.800 -30.800 63 HE1 HIS 8 HE1 HIS 8 6.226 -32.128 -32.128 64 HE2 HIS 8 HE2 HIS 8 8.674 -32.123 -32.123 65 H HIS 9 H HIS 9 4.975 -27.223 -27.223 66 HA HIS 9 HA HIS 9 4.030 -25.904 -25.904 67 1HB HIS 9 2HB HIS 9 5.552 -25.099 -25.099 68 2HB HIS 9 1HB HIS 9 4.010 -24.285 -24.285 69 HD1 HIS 9 HD1 HIS 9 6.637 -22.765 -22.765 70 HD2 HIS 9 HD2 HIS 9 3.729 -23.931 -23.931 71 HE1 HIS 9 HE1 HIS 9 6.907 -21.223 -21.223 72 HE2 HIS 9 HE2 HIS 9 5.195 -22.006 -22.006 73 H HIS 10 H HIS 10 1.959 -26.575 -26.575 74 HA HIS 10 HA HIS 10 -0.310 -26.599 -26.599 75 1HB HIS 10 2HB HIS 10 0.404 -24.158 -24.158 76 2HB HIS 10 1HB HIS 10 -0.448 -24.799 -24.799 77 HD1 HIS 10 HD1 HIS 10 -2.298 -22.980 -22.980 78 HD2 HIS 10 HD2 HIS 10 -1.893 -25.822 -25.822 79 HE1 HIS 10 HE1 HIS 10 -4.367 -22.765 -22.765 80 HE2 HIS 10 HE2 HIS 10 -4.140 -24.553 -24.553 81 H THR 11 H THR 11 -1.516 -28.184 -28.184 82 HA THR 11 HA THR 11 -1.010 -29.057 -29.057 83 HB THR 11 HB THR 11 -2.321 -31.149 -31.149 84 HG1 THR 11 HG1 THR 11 -1.990 -30.719 -30.719 85 1HG2 THR 11 2HG2 THR 11 -0.387 -31.305 -31.305 86 2HG2 THR 11 1HG2 THR 11 0.663 -30.859 -30.859 87 3HG2 THR 11 3HG2 THR 11 -0.272 -32.352 -32.352 88 H ASP 12 H ASP 12 -2.546 -27.763 -27.763 89 HA ASP 12 HA ASP 12 -5.278 -28.708 -28.708 90 1HB ASP 12 2HB ASP 12 -6.138 -26.327 -26.327 91 2HB ASP 12 1HB ASP 12 -5.387 -26.906 -26.906 92 HA PRO 13 HA PRO 13 -3.602 -27.838 -27.838 93 1HB PRO 13 2HB PRO 13 -5.002 -30.433 -30.433 94 2HB PRO 13 1HB PRO 13 -3.437 -29.897 -29.897 95 1HG PRO 13 2HG PRO 13 -3.583 -31.650 -31.650 96 2HG PRO 13 1HG PRO 13 -2.334 -30.390 -30.390 97 1HD PRO 13 2HD PRO 13 -4.853 -30.534 -30.534 98 2HD PRO 13 1HD PRO 13 -3.254 -29.920 -29.920 99 H MET 14 H MET 14 -6.652 -28.626 -28.626 100 HA MET 14 HA MET 14 -8.129 -27.756 -27.756 101 1HB MET 14 2HB MET 14 -9.010 -29.016 -29.016 102 2HB MET 14 1HB MET 14 -10.138 -28.428 -28.428 103 1HG MET 14 2HG MET 14 -8.637 -29.988 -29.988 104 2HG MET 14 1HG MET 14 -8.402 -30.818 -30.818 105 1HE MET 14 1HE MET 14 -9.157 -32.466 -32.466 106 2HE MET 14 3HE MET 14 -10.217 -33.302 -33.302 107 3HE MET 14 2HE MET 14 -10.834 -32.793 -32.793 108 H SER 15 H SER 15 -6.543 -25.877 -25.877 109 HA SER 15 HA SER 15 -8.654 -24.162 -24.162 110 1HB SER 15 2HB SER 15 -6.903 -24.645 -24.645 111 2HB SER 15 1HB SER 15 -5.663 -24.135 -24.135 112 HG SER 15 HG SER 15 -7.709 -22.465 -22.465 113 H ALA 16 H ALA 16 -8.139 -24.475 -24.475 114 HA ALA 16 HA ALA 16 -7.931 -21.699 -21.699 115 1HB ALA 16 2HB ALA 16 -5.557 -22.299 -22.299 116 2HB ALA 16 1HB ALA 16 -5.820 -23.592 -23.592 117 3HB ALA 16 3HB ALA 16 -6.037 -21.908 -21.908 118 H ILE 17 H ILE 17 -9.842 -23.889 -23.889 119 HA ILE 17 HA ILE 17 -9.970 -24.345 -24.345 120 HB ILE 17 HB ILE 17 -11.789 -25.523 -25.523 121 1HG1 ILE 17 2HG1 ILE 17 -9.254 -26.715 -26.715 122 2HG1 ILE 17 1HG1 ILE 17 -9.434 -26.101 -26.101 123 1HG2 ILE 17 3HG2 ILE 17 -11.185 -26.188 -26.188 124 2HG2 ILE 17 2HG2 ILE 17 -12.028 -27.293 -27.293 125 3HG2 ILE 17 1HG2 ILE 17 -12.730 -25.720 -25.720 126 1HD1 ILE 17 3HD1 ILE 17 -11.495 -28.003 -28.003 127 2HD1 ILE 17 2HD1 ILE 17 -9.928 -28.695 -28.695 128 3HD1 ILE 17 1HD1 ILE 17 -10.206 -28.055 -28.055 129 H GLN 18 H GLN 18 -12.046 -24.088 -24.088 130 HA GLN 18 HA GLN 18 -13.194 -21.538 -21.538 131 1HB GLN 18 2HB GLN 18 -12.911 -22.727 -22.727 132 2HB GLN 18 1HB GLN 18 -14.369 -23.613 -23.613 133 1HG GLN 18 2HG GLN 18 -15.391 -21.268 -21.268 134 2HG GLN 18 1HG GLN 18 -14.031 -20.708 -20.708 135 1HE2 GLN 18 2HE2 GLN 18 -16.953 -21.350 -21.350 136 2HE2 GLN 18 1HE2 GLN 18 -16.656 -20.374 -20.374 137 H ASN 19 H ASN 19 -14.304 -21.395 -21.395 138 HA ASN 19 HA ASN 19 -16.471 -23.332 -23.332 139 1HB ASN 19 2HB ASN 19 -14.830 -21.646 -21.646 140 2HB ASN 19 1HB ASN 19 -16.392 -22.288 -22.288 141 1HD2 ASN 19 1HD2 ASN 19 -13.108 -22.886 -22.886 142 2HD2 ASN 19 2HD2 ASN 19 -13.128 -24.582 -24.582 143 H LEU 20 H LEU 20 -18.109 -22.429 -22.429 144 HA LEU 20 HA LEU 20 -19.925 -21.111 -21.111 145 1HB LEU 20 2HB LEU 20 -19.575 -20.919 -20.919 146 2HB LEU 20 1HB LEU 20 -19.370 -19.238 -19.238 147 HG LEU 20 HG LEU 20 -21.617 -19.599 -19.599 148 1HD1 LEU 20 2HD1 LEU 20 -21.379 -22.133 -22.133 149 2HD1 LEU 20 1HD1 LEU 20 -22.261 -21.492 -21.492 150 3HD1 LEU 20 3HD1 LEU 20 -22.941 -21.351 -21.351 151 1HD2 LEU 20 2HD2 LEU 20 -21.237 -19.215 -19.215 152 2HD2 LEU 20 1HD2 LEU 20 -21.581 -18.012 -18.012 153 3HD2 LEU 20 3HD2 LEU 20 -22.837 -19.141 -19.141 154 H HIS 21 H HIS 21 -17.624 -18.788 -18.788 155 HA HIS 21 HA HIS 21 -18.020 -17.027 -17.027 156 1HB HIS 21 2HB HIS 21 -17.590 -16.575 -16.575 157 2HB HIS 21 1HB HIS 21 -16.033 -16.183 -16.183 158 HD1 HIS 21 HD1 HIS 21 -15.898 -14.074 -14.074 159 HD2 HIS 21 HD2 HIS 21 -19.728 -14.889 -14.889 160 HE1 HIS 21 HE1 HIS 21 -17.244 -12.008 -12.008 161 HE2 HIS 21 HE2 HIS 21 -19.577 -12.553 -12.553 162 H SER 22 H SER 22 -16.553 -16.609 -16.609 163 HA SER 22 HA SER 22 -14.236 -18.357 -18.357 164 1HB SER 22 2HB SER 22 -15.996 -17.602 -17.602 165 2HB SER 22 1HB SER 22 -14.738 -16.393 -16.393 166 HG SER 22 HG SER 22 -14.471 -19.215 -19.215 167 H PHE 23 H PHE 23 -14.981 -15.017 -15.017 168 HA PHE 23 HA PHE 23 -13.698 -13.244 -13.244 169 1HB PHE 23 2HB PHE 23 -12.421 -15.466 -15.466 170 2HB PHE 23 1HB PHE 23 -11.133 -14.587 -14.587 171 HD1 PHE 23 HD1 PHE 23 -11.918 -11.808 -11.808 172 HD2 PHE 23 HD2 PHE 23 -12.134 -15.086 -15.086 173 HE1 PHE 23 HE1 PHE 23 -11.781 -10.247 -10.247 174 HE2 PHE 23 HE2 PHE 23 -11.999 -13.530 -13.530 175 HZ PHE 23 HZ PHE 23 -11.823 -11.108 -11.108 176 H ASP 24 H ASP 24 -13.008 -11.724 -11.724 177 HA ASP 24 HA ASP 24 -12.030 -10.676 -10.676 178 1HB ASP 24 2HB ASP 24 -10.050 -12.866 -12.866 179 2HB ASP 24 1HB ASP 24 -9.818 -11.776 -11.776 180 HA PRO 25 HA PRO 25 -14.355 -13.255 -13.255 181 1HB PRO 25 2HB PRO 25 -14.258 -10.614 -10.614 182 2HB PRO 25 1HB PRO 25 -15.626 -11.705 -11.705 183 1HG PRO 25 2HG PRO 25 -15.374 -9.474 -9.474 184 2HG PRO 25 1HG PRO 25 -15.995 -10.969 -10.969 185 1HD PRO 25 2HD PRO 25 -13.313 -9.695 -9.695 186 2HD PRO 25 1HD PRO 25 -14.263 -10.605 -10.605 187 H PHE 26 H PHE 26 -11.634 -11.078 -11.078 188 HA PHE 26 HA PHE 26 -10.707 -12.817 -12.817 189 1HB PHE 26 2HB PHE 26 -9.570 -10.729 -10.729 190 2HB PHE 26 1HB PHE 26 -11.321 -10.802 -10.802 191 HD1 PHE 26 HD1 PHE 26 -12.731 -9.569 -9.569 192 HD2 PHE 26 HD2 PHE 26 -8.554 -8.925 -8.925 193 HE1 PHE 26 HE1 PHE 26 -12.934 -7.397 -7.397 194 HE2 PHE 26 HE2 PHE 26 -8.749 -6.753 -6.753 195 HZ PHE 26 HZ PHE 26 -10.942 -5.986 -5.986 196 H ALA 27 H ALA 27 -9.713 -10.484 -10.484 197 HA ALA 27 HA ALA 27 -7.875 -10.364 -10.364 198 1HB ALA 27 2HB ALA 27 -8.594 -13.020 -13.020 199 2HB ALA 27 1HB ALA 27 -6.875 -13.065 -13.065 200 3HB ALA 27 3HB ALA 27 -7.422 -12.279 -12.279 201 H ASP 28 H ASP 28 -6.212 -9.187 -9.187 202 HA ASP 28 HA ASP 28 -4.719 -10.018 -10.018 203 1HB ASP 28 2HB ASP 28 -3.814 -7.696 -7.696 204 2HB ASP 28 1HB ASP 28 -5.568 -7.755 -7.755 205 H ALA 29 H ALA 29 -2.307 -9.036 -9.036 206 HA ALA 29 HA ALA 29 -1.066 -9.346 -9.346 207 1HB ALA 29 3HB ALA 29 -1.188 -11.691 -11.691 208 2HB ALA 29 2HB ALA 29 0.316 -11.392 -11.392 209 3HB ALA 29 1HB ALA 29 -1.189 -11.623 -11.623 210 H SER 30 H SER 30 0.091 -7.521 -7.521 211 HA SER 30 HA SER 30 2.191 -7.742 -7.742 212 1HB SER 30 2HB SER 30 1.807 -5.249 -5.249 213 2HB SER 30 1HB SER 30 0.658 -6.392 -6.392 214 HG SER 30 HG SER 30 -0.102 -4.397 -4.397 215 H LYS 31 H LYS 31 0.927 -5.630 -5.630 216 HA LYS 31 HA LYS 31 3.405 -4.489 -4.489 217 1HB LYS 31 2HB LYS 31 0.740 -4.229 -4.229 218 2HB LYS 31 1HB LYS 31 1.629 -4.687 -4.687 219 1HG LYS 31 2HG LYS 31 1.883 -2.445 -2.445 220 2HG LYS 31 1HG LYS 31 3.275 -2.801 -2.801 221 1HD LYS 31 2HD LYS 31 2.361 -1.801 -1.801 222 2HD LYS 31 1HD LYS 31 0.736 -2.373 -2.373 223 1HE LYS 31 2HE LYS 31 0.298 -0.592 -0.592 224 2HE LYS 31 1HE LYS 31 2.006 -0.265 -0.265 225 1HZ LYS 31 2HZ LYS 31 1.937 0.252 0.252 226 2HZ LYS 31 1HZ LYS 31 0.304 0.552 0.552 227 3HZ LYS 31 3HZ LYS 31 1.502 1.422 1.422 228 H GLY 32 H GLY 32 1.568 -7.052 -7.052 229 1HA GLY 32 2HA GLY 32 2.322 -8.892 -8.892 230 2HA GLY 32 1HA GLY 32 3.929 -8.570 -8.570 231 H ASP 33 H ASP 33 2.310 -6.018 -6.018 232 HA ASP 33 HA ASP 33 3.940 -6.552 -6.552 233 1HB ASP 33 2HB ASP 33 4.505 -4.548 -4.548 234 2HB ASP 33 1HB ASP 33 3.287 -3.737 -3.737 235 H ASP 34 H ASP 34 1.239 -7.357 -7.357 236 HA ASP 34 HA ASP 34 -0.429 -5.466 -5.466 237 1HB ASP 34 2HB ASP 34 -1.237 -6.989 -6.989 238 2HB ASP 34 1HB ASP 34 -1.119 -8.316 -8.316 239 H LEU 35 H LEU 35 1.494 -5.805 -5.805 240 HA LEU 35 HA LEU 35 0.523 -7.789 -7.789 241 1HB LEU 35 2HB LEU 35 3.290 -6.888 -6.888 242 2HB LEU 35 1HB LEU 35 2.947 -7.447 -7.447 243 HG LEU 35 HG LEU 35 3.889 -9.211 -9.211 244 1HD1 LEU 35 2HD1 LEU 35 2.435 -9.763 -9.763 245 2HD1 LEU 35 1HD1 LEU 35 1.039 -9.736 -9.736 246 3HD1 LEU 35 3HD1 LEU 35 2.308 -10.939 -10.939 247 1HD2 LEU 35 2HD2 LEU 35 2.590 -8.253 -8.253 248 2HD2 LEU 35 1HD2 LEU 35 2.860 -9.991 -9.991 249 3HD2 LEU 35 3HD2 LEU 35 1.293 -9.309 -9.309 250 H LEU 36 H LEU 36 -0.310 -6.978 -6.978 251 HA LEU 36 HA LEU 36 0.295 -4.178 -4.178 252 1HB LEU 36 2HB LEU 36 -2.150 -5.868 -5.868 253 2HB LEU 36 1HB LEU 36 -1.883 -4.378 -4.378 254 HG LEU 36 HG LEU 36 -1.856 -4.410 -4.410 255 1HD1 LEU 36 2HD1 LEU 36 -4.238 -4.295 -4.295 256 2HD1 LEU 36 1HD1 LEU 36 -4.261 -3.666 -3.666 257 3HD1 LEU 36 3HD1 LEU 36 -3.958 -5.380 -5.380 258 1HD2 LEU 36 1HD2 LEU 36 -0.992 -2.447 -2.447 259 2HD2 LEU 36 3HD2 LEU 36 -2.382 -2.082 -2.082 260 3HD2 LEU 36 2HD2 LEU 36 -2.590 -2.258 -2.258 261 HA PRO 37 HA PRO 37 2.303 -5.871 -5.871 262 1HB PRO 37 2HB PRO 37 2.823 -3.531 -3.531 263 2HB PRO 37 1HB PRO 37 3.737 -4.075 -4.075 264 1HG PRO 37 2HG PRO 37 1.486 -2.107 -2.107 265 2HG PRO 37 1HG PRO 37 3.001 -2.006 -2.006 266 1HD PRO 37 2HD PRO 37 0.642 -2.731 -2.731 267 2HD PRO 37 1HD PRO 37 2.208 -3.341 -3.341 268 H ALA 38 H ALA 38 2.182 -4.888 -4.888 269 HA ALA 38 HA ALA 38 0.935 -4.785 -4.785 270 1HB ALA 38 2HB ALA 38 -0.224 -2.956 -2.956 271 2HB ALA 38 1HB ALA 38 -1.564 -4.101 -4.101 272 3HB ALA 38 3HB ALA 38 -0.900 -3.430 -3.430 273 H GLY 39 H GLY 39 0.728 -6.788 -6.788 274 1HA GLY 39 2HA GLY 39 -1.538 -8.400 -8.400 275 2HA GLY 39 1HA GLY 39 0.036 -9.130 -9.130 276 H THR 40 H THR 40 -0.440 -10.510 -10.510 277 HA THR 40 HA THR 40 -0.889 -9.358 -9.358 278 HB THR 40 HB THR 40 -2.774 -11.003 -11.003 279 HG1 THR 40 HG1 THR 40 -2.942 -12.336 -12.336 280 1HG2 THR 40 2HG2 THR 40 -3.003 -8.473 -8.473 281 2HG2 THR 40 1HG2 THR 40 -3.715 -9.093 -9.093 282 3HG2 THR 40 3HG2 THR 40 -4.427 -9.513 -9.513 283 H GLU 41 H GLU 41 0.887 -10.196 -10.196 284 HA GLU 41 HA GLU 41 1.153 -13.116 -13.116 285 1HB GLU 41 2HB GLU 41 3.504 -11.232 -11.232 286 2HB GLU 41 1HB GLU 41 3.541 -12.985 -12.985 287 1HG GLU 41 2HG GLU 41 1.889 -12.323 -12.323 288 2HG GLU 41 1HG GLU 41 3.059 -11.003 -11.003 289 H ASP 42 H ASP 42 -0.191 -12.229 -12.229 290 HA ASP 42 HA ASP 42 -0.340 -12.085 -12.085 291 1HB ASP 42 2HB ASP 42 2.295 -13.435 -13.435 292 2HB ASP 42 1HB ASP 42 1.885 -12.872 -12.872 293 H TYR 43 H TYR 43 -0.130 -9.728 -9.728 294 HA TYR 43 HA TYR 43 2.169 -8.304 -8.304 295 1HB TYR 43 2HB TYR 43 -0.285 -7.252 -7.252 296 2HB TYR 43 1HB TYR 43 1.167 -6.330 -6.330 297 HD1 TYR 43 HD1 TYR 43 3.015 -8.807 -8.807 298 HD2 TYR 43 HD2 TYR 43 -0.115 -6.725 -6.725 299 HE1 TYR 43 HE1 TYR 43 3.982 -9.440 -9.440 300 HE2 TYR 43 HE2 TYR 43 0.841 -7.360 -7.360 301 HH TYR 43 HH TYR 43 3.478 -8.044 -8.044 302 H ILE 44 H ILE 44 1.632 -6.169 -6.169 303 HA ILE 44 HA ILE 44 -0.304 -6.767 -6.767 304 HB ILE 44 HB ILE 44 2.130 -4.980 -4.980 305 1HG1 ILE 44 2HG1 ILE 44 2.849 -7.244 -7.244 306 2HG1 ILE 44 1HG1 ILE 44 2.857 -6.661 -6.661 307 1HG2 ILE 44 3HG2 ILE 44 0.103 -5.609 -5.609 308 2HG2 ILE 44 2HG2 ILE 44 1.630 -4.773 -4.773 309 3HG2 ILE 44 1HG2 ILE 44 0.397 -4.042 -4.042 310 1HD1 ILE 44 2HD1 ILE 44 0.635 -7.739 -7.739 311 2HD1 ILE 44 1HD1 ILE 44 0.820 -8.449 -8.449 312 3HD1 ILE 44 3HD1 ILE 44 1.958 -8.861 -8.861 313 H HIS 45 H HIS 45 -2.152 -5.868 -5.868 314 HA HIS 45 HA HIS 45 -2.275 -3.365 -3.365 315 1HB HIS 45 2HB HIS 45 -4.032 -5.514 -5.514 316 2HB HIS 45 1HB HIS 45 -4.795 -4.047 -4.047 317 HD1 HIS 45 HD1 HIS 45 -3.695 -5.722 -5.722 318 HD2 HIS 45 HD2 HIS 45 -5.591 -2.224 -2.224 319 HE1 HIS 45 HE1 HIS 45 -4.652 -4.729 -4.729 320 HE2 HIS 45 HE2 HIS 45 -5.728 -2.571 -2.571 321 H ILE 46 H ILE 46 -1.991 -1.453 -1.453 322 HA ILE 46 HA ILE 46 -2.162 -1.013 -1.013 323 HB ILE 46 HB ILE 46 -1.827 0.996 0.996 324 1HG1 ILE 46 2HG1 ILE 46 -0.036 -0.734 -0.734 325 2HG1 ILE 46 1HG1 ILE 46 0.537 0.901 0.901 326 1HG2 ILE 46 1HG2 ILE 46 -1.768 1.242 1.242 327 2HG2 ILE 46 3HG2 ILE 46 -0.757 2.295 2.295 328 3HG2 ILE 46 2HG2 ILE 46 -2.509 2.301 2.301 329 1HD1 ILE 46 2HD1 ILE 46 0.131 0.266 0.266 330 2HD1 ILE 46 1HD1 ILE 46 0.218 -1.386 -1.386 331 3HD1 ILE 46 3HD1 ILE 46 1.582 -0.288 -0.288 332 H ARG 47 H ARG 47 -3.596 1.425 1.425 333 HA ARG 47 HA ARG 47 -5.760 2.088 2.088 334 1HB ARG 47 2HB ARG 47 -6.260 -0.464 -0.464 335 2HB ARG 47 1HB ARG 47 -6.891 0.203 0.203 336 1HG ARG 47 2HG ARG 47 -8.720 0.040 0.040 337 2HG ARG 47 1HG ARG 47 -8.290 1.751 1.751 338 1HD ARG 47 2HD ARG 47 -7.038 1.493 1.493 339 2HD ARG 47 1HD ARG 47 -7.495 -0.209 -0.209 340 HE ARG 47 HE ARG 47 -9.815 1.369 1.369 341 1HH1 ARG 47 2HH1 ARG 47 -7.268 0.591 0.591 342 2HH1 ARG 47 1HH1 ARG 47 -8.253 0.865 0.865 343 1HH2 ARG 47 1HH2 ARG 47 -11.111 1.730 1.730 344 2HH2 ARG 47 2HH2 ARG 47 -10.433 1.512 1.512 345 H ILE 48 H ILE 48 -6.284 3.956 3.956 346 HA ILE 48 HA ILE 48 -6.105 4.407 4.407 347 HB ILE 48 HB ILE 48 -5.683 6.226 6.226 348 1HG1 ILE 48 2HG1 ILE 48 -4.164 5.725 5.725 349 2HG1 ILE 48 1HG1 ILE 48 -3.727 5.149 5.149 350 1HG2 ILE 48 2HG2 ILE 48 -6.360 7.133 7.133 351 2HG2 ILE 48 1HG2 ILE 48 -5.708 8.168 8.168 352 3HG2 ILE 48 3HG2 ILE 48 -7.297 7.428 7.428 353 1HD1 ILE 48 1HD1 ILE 48 -4.008 8.076 8.076 354 2HD1 ILE 48 3HD1 ILE 48 -2.546 7.225 7.225 355 3HD1 ILE 48 2HD1 ILE 48 -3.032 7.228 7.228 356 H GLN 49 H GLN 49 -7.732 5.788 5.788 357 HA GLN 49 HA GLN 49 -10.239 5.992 5.992 358 1HB GLN 49 2HB GLN 49 -11.521 5.183 5.183 359 2HB GLN 49 1HB GLN 49 -10.381 3.962 3.962 360 1HG GLN 49 2HG GLN 49 -8.885 5.152 5.152 361 2HG GLN 49 1HG GLN 49 -10.487 5.465 5.465 362 1HE2 GLN 49 2HE2 GLN 49 -11.232 2.013 2.013 363 2HE2 GLN 49 1HE2 GLN 49 -11.946 3.500 3.500 364 H GLN 50 H GLN 50 -10.293 8.167 8.167 365 HA GLN 50 HA GLN 50 -9.851 9.786 9.786 366 1HB GLN 50 2HB GLN 50 -8.976 10.121 10.121 367 2HB GLN 50 1HB GLN 50 -10.354 11.212 11.212 368 1HG GLN 50 2HG GLN 50 -9.397 12.423 12.423 369 2HG GLN 50 1HG GLN 50 -8.132 11.216 11.216 370 1HE2 GLN 50 2HE2 GLN 50 -6.184 13.561 13.561 371 2HE2 GLN 50 1HE2 GLN 50 -6.626 12.947 12.947 372 H ARG 51 H ARG 51 -11.571 10.306 10.306 373 HA ARG 51 HA ARG 51 -14.185 10.482 10.482 374 1HB ARG 51 2HB ARG 51 -13.334 10.061 10.061 375 2HB ARG 51 1HB ARG 51 -14.971 10.574 10.574 376 1HG ARG 51 2HG ARG 51 -15.573 8.514 8.514 377 2HG ARG 51 1HG ARG 51 -14.172 8.317 8.317 378 1HD ARG 51 2HD ARG 51 -14.161 6.649 6.649 379 2HD ARG 51 1HD ARG 51 -12.794 7.750 7.750 380 HE ARG 51 HE ARG 51 -13.639 8.417 8.417 381 1HH1 ARG 51 2HH1 ARG 51 -16.178 6.837 6.837 382 2HH1 ARG 51 1HH1 ARG 51 -17.301 6.867 6.867 383 1HH2 ARG 51 1HH2 ARG 51 -15.115 8.456 8.456 384 2HH2 ARG 51 2HH2 ARG 51 -16.699 7.787 7.787 385 H ASN 52 H ASN 52 -15.354 12.340 12.340 386 HA ASN 52 HA ASN 52 -15.793 14.571 14.571 387 1HB ASN 52 2HB ASN 52 -14.181 14.722 14.722 388 2HB ASN 52 1HB ASN 52 -15.542 15.728 15.728 389 1HD2 ASN 52 2HD2 ASN 52 -16.335 12.872 12.872 390 2HD2 ASN 52 1HD2 ASN 52 -14.913 13.844 13.844 391 H GLY 53 H GLY 53 -13.187 13.474 13.474 392 1HA GLY 53 2HA GLY 53 -11.367 14.327 14.327 393 2HA GLY 53 1HA GLY 53 -12.117 15.906 15.906 394 H ARG 54 H ARG 54 -10.874 13.616 13.616 395 HA ARG 54 HA ARG 54 -8.507 15.026 15.026 396 1HB ARG 54 2HB ARG 54 -9.019 16.237 16.237 397 2HB ARG 54 1HB ARG 54 -10.187 16.726 16.726 398 1HG ARG 54 2HG ARG 54 -11.878 15.320 15.320 399 2HG ARG 54 1HG ARG 54 -10.710 14.703 14.703 400 1HD ARG 54 2HD ARG 54 -11.250 17.640 17.640 401 2HD ARG 54 1HD ARG 54 -12.330 16.596 16.596 402 HE ARG 54 HE ARG 54 -9.745 16.057 16.057 403 1HH1 ARG 54 2HH1 ARG 54 -11.951 18.761 18.761 404 2HH1 ARG 54 1HH1 ARG 54 -11.296 19.462 19.462 405 1HH2 ARG 54 1HH2 ARG 54 -8.883 16.977 16.977 406 2HH2 ARG 54 2HH2 ARG 54 -9.555 18.450 18.450 407 H LYS 55 H LYS 55 -11.103 13.095 13.095 408 HA LYS 55 HA LYS 55 -9.429 11.826 11.826 409 1HB LYS 55 2HB LYS 55 -12.212 11.695 11.695 410 2HB LYS 55 1HB LYS 55 -11.568 10.100 10.100 411 1HG LYS 55 2HG LYS 55 -11.443 12.468 12.468 412 2HG LYS 55 1HG LYS 55 -12.634 11.169 11.169 413 1HD LYS 55 2HD LYS 55 -11.211 10.099 10.099 414 2HD LYS 55 1HD LYS 55 -10.194 9.850 9.850 415 1HE LYS 55 2HE LYS 55 -8.634 10.928 10.928 416 2HE LYS 55 1HE LYS 55 -9.503 12.380 12.380 417 1HZ LYS 55 2HZ LYS 55 -10.521 11.058 11.058 418 2HZ LYS 55 1HZ LYS 55 -8.989 11.755 11.755 419 3HZ LYS 55 3HZ LYS 55 -10.305 12.706 12.706 420 H THR 56 H THR 56 -7.703 11.455 11.455 421 HA THR 56 HA THR 56 -8.106 9.252 9.252 422 HB THR 56 HB THR 56 -5.339 10.023 10.023 423 HG1 THR 56 HG1 THR 56 -5.840 12.061 12.061 424 1HG2 THR 56 3HG2 THR 56 -6.990 9.412 9.412 425 2HG2 THR 56 2HG2 THR 56 -5.819 10.706 10.706 426 3HG2 THR 56 1HG2 THR 56 -5.275 9.119 9.119 427 H LEU 57 H LEU 57 -7.456 7.167 7.167 428 HA LEU 57 HA LEU 57 -5.902 6.387 6.387 429 1HB LEU 57 2HB LEU 57 -8.755 5.992 5.992 430 2HB LEU 57 1HB LEU 57 -7.922 4.453 4.453 431 HG LEU 57 HG LEU 57 -6.757 5.437 5.437 432 1HD1 LEU 57 2HD1 LEU 57 -8.669 7.576 7.576 433 2HD1 LEU 57 1HD1 LEU 57 -8.566 7.130 7.130 434 3HD1 LEU 57 3HD1 LEU 57 -7.120 7.657 7.657 435 1HD2 LEU 57 3HD2 LEU 57 -9.443 4.349 4.349 436 2HD2 LEU 57 2HD2 LEU 57 -8.161 3.891 3.891 437 3HD2 LEU 57 1HD2 LEU 57 -9.229 5.242 5.242 438 H THR 58 H THR 58 -4.237 5.620 5.620 439 HA THR 58 HA THR 58 -4.591 4.072 4.072 440 HB THR 58 HB THR 58 -2.067 3.964 3.964 441 HG1 THR 58 HG1 THR 58 -3.263 6.260 6.260 442 1HG2 THR 58 1HG2 THR 58 -2.763 4.081 4.081 443 2HG2 THR 58 3HG2 THR 58 -1.152 4.508 4.508 444 3HG2 THR 58 2HG2 THR 58 -1.792 2.893 2.893 445 H THR 59 H THR 59 -4.974 1.962 1.962 446 HA THR 59 HA THR 59 -4.668 0.258 0.258 447 HB THR 59 HB THR 59 -6.199 -1.225 -1.225 448 HG1 THR 59 HG1 THR 59 -7.379 0.006 0.006 449 1HG2 THR 59 3HG2 THR 59 -6.956 0.692 0.692 450 2HG2 THR 59 2HG2 THR 59 -8.195 -0.170 -0.170 451 3HG2 THR 59 1HG2 THR 59 -6.987 -1.072 -1.072 452 H VAL 60 H VAL 60 -3.917 -1.918 -1.918 453 HA VAL 60 HA VAL 60 -2.261 -2.261 -2.261 454 HB VAL 60 HB VAL 60 -1.519 -3.140 -3.140 455 1HG1 VAL 60 3HG1 VAL 60 -0.251 -3.520 -3.520 456 2HG1 VAL 60 2HG1 VAL 60 0.741 -3.468 -3.468 457 3HG1 VAL 60 1HG1 VAL 60 -0.512 -4.698 -4.698 458 1HG2 VAL 60 2HG2 VAL 60 -0.839 -0.754 -0.754 459 2HG2 VAL 60 1HG2 VAL 60 -1.107 -0.890 -0.890 460 3HG2 VAL 60 3HG2 VAL 60 0.411 -1.449 -1.449 461 H GLN 61 H GLN 61 -2.900 -3.913 -3.913 462 HA GLN 61 HA GLN 61 -4.120 -6.232 -6.232 463 1HB GLN 61 2HB GLN 61 -5.308 -4.656 -4.656 464 2HB GLN 61 1HB GLN 61 -4.588 -5.893 -5.893 465 1HG GLN 61 2HG GLN 61 -5.812 -7.237 -7.237 466 2HG GLN 61 1HG GLN 61 -6.954 -6.012 -6.012 467 1HE2 GLN 61 2HE2 GLN 61 -6.693 -7.481 -7.481 468 2HE2 GLN 61 1HE2 GLN 61 -6.179 -5.993 -5.993 469 H GLY 62 H GLY 62 -3.379 -8.257 -8.257 470 1HA GLY 62 2HA GLY 62 -2.225 -9.727 -9.727 471 2HA GLY 62 1HA GLY 62 -1.108 -8.401 -8.401 472 H ILE 63 H ILE 63 -0.685 -7.608 -7.608 473 HA ILE 63 HA ILE 63 1.451 -9.158 -9.158 474 HB ILE 63 HB ILE 63 -0.313 -7.283 -7.283 475 1HG1 ILE 63 2HG1 ILE 63 1.518 -5.811 -5.811 476 2HG1 ILE 63 1HG1 ILE 63 2.659 -7.115 -7.115 477 1HG2 ILE 63 2HG2 ILE 63 1.574 -9.212 -9.212 478 2HG2 ILE 63 1HG2 ILE 63 1.732 -7.544 -7.544 479 3HG2 ILE 63 3HG2 ILE 63 0.193 -8.388 -8.388 480 1HD1 ILE 63 3HD1 ILE 63 1.710 -7.400 -7.400 481 2HD1 ILE 63 2HD1 ILE 63 0.591 -6.073 -6.073 482 3HD1 ILE 63 1HD1 ILE 63 2.327 -5.769 -5.769 483 H ALA 64 H ALA 64 1.788 -10.770 -10.770 484 HA ALA 64 HA ALA 64 -0.463 -12.592 -12.592 485 1HB ALA 64 2HB ALA 64 2.490 -12.844 -12.844 486 2HB ALA 64 1HB ALA 64 1.499 -14.027 -14.027 487 3HB ALA 64 3HB ALA 64 1.318 -13.819 -13.819 488 H ASP 65 H ASP 65 -0.693 -13.838 -13.838 489 HA ASP 65 HA ASP 65 -1.108 -12.056 -12.056 490 1HB ASP 65 2HB ASP 65 -2.261 -14.386 -14.386 491 2HB ASP 65 1HB ASP 65 -1.161 -14.976 -14.976 492 H ASP 66 H ASP 66 1.397 -14.272 -14.272 493 HA ASP 66 HA ASP 66 2.655 -14.591 -14.591 494 1HB ASP 66 2HB ASP 66 3.390 -15.044 -15.044 495 2HB ASP 66 1HB ASP 66 4.726 -14.864 -14.864 496 H TYR 67 H TYR 67 2.710 -12.085 -12.085 497 HA TYR 67 HA TYR 67 5.040 -10.722 -10.722 498 1HB TYR 67 2HB TYR 67 2.330 -9.797 -9.797 499 2HB TYR 67 1HB TYR 67 3.623 -8.646 -8.646 500 HD1 TYR 67 HD1 TYR 67 4.359 -11.984 -11.984 501 HD2 TYR 67 HD2 TYR 67 3.626 -7.903 -7.903 502 HE1 TYR 67 HE1 TYR 67 5.214 -12.358 -12.358 503 HE2 TYR 67 HE2 TYR 67 4.474 -8.259 -8.259 504 HH TYR 67 HH TYR 67 6.207 -10.072 -10.072 505 H ASP 68 H ASP 68 5.764 -9.947 -9.947 506 HA ASP 68 HA ASP 68 4.407 -9.848 -9.848 507 1HB ASP 68 2HB ASP 68 6.865 -8.548 -8.548 508 2HB ASP 68 1HB ASP 68 6.183 -7.880 -7.880 509 H LYS 69 H LYS 69 2.404 -8.948 -8.948 510 HA LYS 69 HA LYS 69 1.380 -6.772 -6.772 511 1HB LYS 69 2HB LYS 69 0.196 -8.335 -8.335 512 2HB LYS 69 1HB LYS 69 0.835 -7.369 -7.369 513 1HG LYS 69 2HG LYS 69 -0.460 -5.520 -5.520 514 2HG LYS 69 1HG LYS 69 -0.763 -6.109 -6.109 515 1HD LYS 69 2HD LYS 69 -2.780 -6.473 -6.473 516 2HD LYS 69 1HD LYS 69 -1.992 -8.052 -8.052 517 1HE LYS 69 2HE LYS 69 -2.451 -8.033 -8.033 518 2HE LYS 69 1HE LYS 69 -1.019 -7.010 -7.010 519 1HZ LYS 69 1HZ LYS 69 -2.589 -5.082 -5.082 520 2HZ LYS 69 3HZ LYS 69 -3.858 -6.169 -6.169 521 3HZ LYS 69 2HZ LYS 69 -2.706 -5.901 -5.901 522 H LYS 70 H LYS 70 2.905 -6.611 -6.611 523 HA LYS 70 HA LYS 70 2.801 -3.829 -3.829 524 1HB LYS 70 2HB LYS 70 4.808 -5.760 -5.760 525 2HB LYS 70 1HB LYS 70 4.568 -4.101 -4.101 526 1HG LYS 70 2HG LYS 70 2.229 -4.682 -4.682 527 2HG LYS 70 1HG LYS 70 2.587 -6.361 -6.361 528 1HD LYS 70 2HD LYS 70 4.615 -5.891 -5.891 529 2HD LYS 70 1HD LYS 70 3.437 -4.751 -4.751 530 1HE LYS 70 2HE LYS 70 2.929 -6.643 -6.643 531 2HE LYS 70 1HE LYS 70 1.815 -6.796 -6.796 532 1HZ LYS 70 1HZ LYS 70 4.453 -8.002 -8.002 533 2HZ LYS 70 3HZ LYS 70 3.386 -8.760 -8.760 534 3HZ LYS 70 2HZ LYS 70 2.946 -8.544 -8.544 535 H LYS 71 H LYS 71 5.439 -5.907 -5.907 536 HA LYS 71 HA LYS 71 7.318 -3.926 -3.926 537 1HB LYS 71 2HB LYS 71 7.796 -6.344 -6.344 538 2HB LYS 71 1HB LYS 71 6.876 -6.483 -6.483 539 1HG LYS 71 2HG LYS 71 9.214 -6.439 -6.439 540 2HG LYS 71 1HG LYS 71 8.474 -4.940 -4.940 541 1HD LYS 71 2HD LYS 71 9.244 -3.871 -3.871 542 2HD LYS 71 1HD LYS 71 10.157 -5.346 -5.346 543 1HE LYS 71 2HE LYS 71 10.955 -4.804 -4.804 544 2HE LYS 71 1HE LYS 71 10.682 -3.174 -3.174 545 1HZ LYS 71 1HZ LYS 71 12.063 -4.018 -4.018 546 2HZ LYS 71 3HZ LYS 71 12.608 -5.202 -5.202 547 3HZ LYS 71 2HZ LYS 71 12.860 -3.565 -3.565 548 H LEU 72 H LEU 72 4.350 -4.508 -4.508 549 HA LEU 72 HA LEU 72 5.234 -3.101 -3.101 550 1HB LEU 72 2HB LEU 72 2.638 -4.509 -4.509 551 2HB LEU 72 1HB LEU 72 3.007 -3.713 -3.713 552 HG LEU 72 HG LEU 72 3.939 -5.573 -5.573 553 1HD1 LEU 72 2HD1 LEU 72 6.021 -4.761 -4.761 554 2HD1 LEU 72 1HD1 LEU 72 5.634 -5.863 -5.863 555 3HD1 LEU 72 3HD1 LEU 72 5.950 -6.499 -6.499 556 1HD2 LEU 72 3HD2 LEU 72 2.742 -6.473 -6.473 557 2HD2 LEU 72 2HD2 LEU 72 2.562 -7.102 -7.102 558 3HD2 LEU 72 1HD2 LEU 72 3.963 -7.557 -7.557 559 H VAL 73 H VAL 73 2.340 -2.985 -2.985 560 HA VAL 73 HA VAL 73 1.827 -0.271 -0.271 561 HB VAL 73 HB VAL 73 0.040 -1.970 -1.970 562 1HG1 VAL 73 2HG1 VAL 73 1.098 -2.797 -2.797 563 2HG1 VAL 73 1HG1 VAL 73 0.738 -1.249 -1.249 564 3HG1 VAL 73 3HG1 VAL 73 -0.578 -2.293 -2.293 565 1HG2 VAL 73 3HG2 VAL 73 -0.184 0.583 0.583 566 2HG2 VAL 73 2HG2 VAL 73 -1.470 -0.323 -0.323 567 3HG2 VAL 73 1HG2 VAL 73 -0.262 0.528 0.528 568 H LYS 74 H LYS 74 2.892 -1.874 -1.874 569 HA LYS 74 HA LYS 74 3.086 0.464 0.464 570 1HB LYS 74 2HB LYS 74 3.337 -2.137 -2.137 571 2HB LYS 74 1HB LYS 74 5.043 -1.731 -1.731 572 1HG LYS 74 2HG LYS 74 3.083 -0.284 -0.284 573 2HG LYS 74 1HG LYS 74 4.125 -1.603 -1.603 574 1HD LYS 74 2HD LYS 74 5.886 0.101 0.101 575 2HD LYS 74 1HD LYS 74 4.750 1.210 1.210 576 1HE LYS 74 2HE LYS 74 5.217 -0.683 -0.683 577 2HE LYS 74 1HE LYS 74 6.792 -0.496 -0.496 578 1HZ LYS 74 3HZ LYS 74 5.298 1.927 1.927 579 2HZ LYS 74 2HZ LYS 74 6.024 1.066 1.066 580 3HZ LYS 74 1HZ LYS 74 6.968 1.655 1.655 581 H ALA 75 H ALA 75 5.416 -1.213 -1.213 582 HA ALA 75 HA ALA 75 7.600 0.512 0.512 583 1HB ALA 75 2HB ALA 75 7.528 -1.846 -1.846 584 2HB ALA 75 1HB ALA 75 7.329 -0.911 -0.911 585 3HB ALA 75 3HB ALA 75 8.757 -0.673 -0.673 586 H PHE 76 H PHE 76 5.020 0.484 0.484 587 HA PHE 76 HA PHE 76 5.885 2.451 2.451 588 1HB PHE 76 2HB PHE 76 3.701 1.052 1.052 589 2HB PHE 76 1HB PHE 76 3.024 2.369 2.369 590 HD1 PHE 76 HD2 PHE 76 4.514 1.469 1.469 591 HD2 PHE 76 HD1 PHE 76 2.439 4.432 4.432 592 HE1 PHE 76 HE2 PHE 76 4.086 2.728 2.728 593 HE2 PHE 76 HE1 PHE 76 2.009 5.697 5.697 594 HZ PHE 76 HZ PHE 76 2.834 4.844 4.844 595 H LYS 77 H LYS 77 4.363 2.809 2.809 596 HA LYS 77 HA LYS 77 4.177 5.660 5.660 597 1HB LYS 77 2HB LYS 77 4.098 3.866 3.866 598 2HB LYS 77 1HB LYS 77 3.550 5.534 5.534 599 1HG LYS 77 2HG LYS 77 1.569 4.954 4.954 600 2HG LYS 77 1HG LYS 77 2.287 3.845 3.845 601 1HD LYS 77 2HD LYS 77 1.525 2.150 2.150 602 2HD LYS 77 1HD LYS 77 2.621 2.641 2.641 603 1HE LYS 77 2HE LYS 77 0.517 4.398 4.398 604 2HE LYS 77 1HE LYS 77 -0.276 2.892 2.892 605 1HZ LYS 77 1HZ LYS 77 1.627 3.221 3.221 606 2HZ LYS 77 3HZ LYS 77 -0.054 3.096 3.096 607 3HZ LYS 77 2HZ LYS 77 0.847 1.784 1.784 608 H LYS 78 H LYS 78 6.796 3.628 3.628 609 HA LYS 78 HA LYS 78 8.292 5.536 5.536 610 1HB LYS 78 2HB LYS 78 8.229 2.721 2.721 611 2HB LYS 78 1HB LYS 78 9.793 3.183 3.183 612 1HG LYS 78 2HG LYS 78 10.509 4.081 4.081 613 2HG LYS 78 1HG LYS 78 8.878 4.490 4.490 614 1HD LYS 78 2HD LYS 78 8.446 2.043 2.043 615 2HD LYS 78 1HD LYS 78 10.154 1.758 1.758 616 1HE LYS 78 2HE LYS 78 10.457 3.565 3.565 617 2HE LYS 78 1HE LYS 78 8.861 2.982 2.982 618 1HZ LYS 78 1HZ LYS 78 10.089 0.674 0.674 619 2HZ LYS 78 3HZ LYS 78 11.434 1.615 1.615 620 3HZ LYS 78 2HZ LYS 78 10.121 1.506 1.506 621 H LYS 79 H LYS 79 7.939 4.334 4.334 622 HA LYS 79 HA LYS 79 10.524 5.344 5.344 623 1HB LYS 79 2HB LYS 79 9.032 3.243 3.243 624 2HB LYS 79 1HB LYS 79 8.564 4.464 4.464 625 1HG LYS 79 2HG LYS 79 11.169 4.823 4.823 626 2HG LYS 79 1HG LYS 79 11.195 3.164 3.164 627 1HD LYS 79 2HD LYS 79 10.812 2.441 2.441 628 2HD LYS 79 1HD LYS 79 9.248 3.257 3.257 629 1HE LYS 79 2HE LYS 79 10.781 3.865 3.865 630 2HE LYS 79 1HE LYS 79 10.140 5.214 5.214 631 1HZ LYS 79 1HZ LYS 79 12.696 4.130 4.130 632 2HZ LYS 79 3HZ LYS 79 12.704 4.959 4.959 633 3HZ LYS 79 2HZ LYS 79 12.167 5.735 5.735 634 H PHE 80 H PHE 80 7.084 6.061 6.061 635 HA PHE 80 HA PHE 80 7.887 8.632 8.632 636 1HB PHE 80 2HB PHE 80 5.157 7.483 7.483 637 2HB PHE 80 1HB PHE 80 6.079 8.576 8.576 638 HD1 PHE 80 HD1 PHE 80 5.618 5.084 5.084 639 HD2 PHE 80 HD2 PHE 80 7.623 7.745 7.745 640 HE1 PHE 80 HE1 PHE 80 6.324 3.174 3.174 641 HE2 PHE 80 HE2 PHE 80 8.333 5.839 5.839 642 HZ PHE 80 HZ PHE 80 7.682 3.551 3.551 643 H ALA 81 H ALA 81 6.344 7.165 7.165 644 HA ALA 81 HA ALA 81 5.357 8.052 8.052 645 1HB ALA 81 1HB ALA 81 7.021 10.027 10.027 646 2HB ALA 81 3HB ALA 81 5.471 10.857 10.857 647 3HB ALA 81 2HB ALA 81 5.944 10.139 10.139 648 H CYS 82 H CYS 82 3.836 7.219 7.219 649 HA CYS 82 HA CYS 82 1.584 9.110 9.110 650 1HB CYS 82 2HB CYS 82 2.558 8.414 8.414 651 2HB CYS 82 1HB CYS 82 2.029 6.771 6.771 652 HG CYS 82 HG CYS 82 -0.350 7.414 7.414 653 H ASN 83 H ASN 83 -0.583 8.226 8.226 654 HA ASN 83 HA ASN 83 -0.747 6.231 6.231 655 1HB ASN 83 2HB ASN 83 -2.634 8.142 8.142 656 2HB ASN 83 1HB ASN 83 -3.320 6.721 6.721 657 1HD2 ASN 83 2HD2 ASN 83 -1.929 7.707 7.707 658 2HD2 ASN 83 1HD2 ASN 83 -1.885 6.335 6.335 659 H GLY 84 H GLY 84 -1.087 4.126 4.126 660 1HA GLY 84 2HA GLY 84 -2.352 3.240 3.240 661 2HA GLY 84 1HA GLY 84 -0.864 2.492 2.492 662 H THR 85 H THR 85 -3.585 1.398 1.398 663 HA THR 85 HA THR 85 -3.805 -0.014 -0.014 664 HB THR 85 HB THR 85 -6.193 0.239 0.239 665 HG1 THR 85 HG1 THR 85 -7.363 1.325 1.325 666 1HG2 THR 85 3HG2 THR 85 -4.804 2.119 2.119 667 2HG2 THR 85 2HG2 THR 85 -5.161 2.995 2.995 668 3HG2 THR 85 1HG2 THR 85 -6.471 2.532 2.532 669 H VAL 86 H VAL 86 -5.095 -2.016 -2.016 670 HA VAL 86 HA VAL 86 -4.869 -3.136 -3.136 671 HB VAL 86 HB VAL 86 -3.412 -4.215 -4.215 672 1HG1 VAL 86 1HG1 VAL 86 -5.530 -3.860 -3.860 673 2HG1 VAL 86 3HG1 VAL 86 -5.475 -5.604 -5.604 674 3HG1 VAL 86 2HG1 VAL 86 -4.043 -4.753 -4.753 675 1HG2 VAL 86 2HG2 VAL 86 -5.591 -5.659 -5.659 676 2HG2 VAL 86 1HG2 VAL 86 -3.843 -5.803 -5.803 677 3HG2 VAL 86 3HG2 VAL 86 -4.659 -6.579 -6.579 678 H ILE 87 H ILE 87 -6.822 -3.095 -3.095 679 HA ILE 87 HA ILE 87 -9.177 -3.865 -3.865 680 HB ILE 87 HB ILE 87 -10.546 -2.731 -2.731 681 1HG1 ILE 87 2HG1 ILE 87 -8.651 -1.083 -1.083 682 2HG1 ILE 87 1HG1 ILE 87 -8.061 -2.733 -2.733 683 1HG2 ILE 87 3HG2 ILE 87 -8.388 -1.013 -1.013 684 2HG2 ILE 87 2HG2 ILE 87 -9.921 -0.421 -0.421 685 3HG2 ILE 87 1HG2 ILE 87 -9.905 -1.493 -1.493 686 1HD1 ILE 87 1HD1 ILE 87 -10.654 -3.081 -3.081 687 2HD1 ILE 87 3HD1 ILE 87 -10.394 -1.431 -1.431 688 3HD1 ILE 87 2HD1 ILE 87 -9.379 -2.741 -2.741 689 H GLU 88 H GLU 88 -10.851 -5.098 -5.098 690 HA GLU 88 HA GLU 88 -9.680 -6.990 -6.990 691 1HB GLU 88 2HB GLU 88 -10.736 -7.648 -7.648 692 2HB GLU 88 1HB GLU 88 -12.233 -7.581 -7.581 693 1HG GLU 88 2HG GLU 88 -11.530 -9.284 -9.284 694 2HG GLU 88 1HG GLU 88 -9.862 -9.181 -9.181 695 H HIS 89 H HIS 89 -10.123 -5.292 -5.292 696 HA HIS 89 HA HIS 89 -12.548 -4.246 -4.246 697 1HB HIS 89 2HB HIS 89 -10.107 -4.104 -4.104 698 2HB HIS 89 1HB HIS 89 -10.819 -5.225 -5.225 699 HD1 HIS 89 HD1 HIS 89 -12.095 -4.201 -4.201 700 HD2 HIS 89 HD2 HIS 89 -11.647 -1.598 -1.598 701 HE1 HIS 89 HE1 HIS 89 -13.076 -2.019 -2.019 702 HE2 HIS 89 HE2 HIS 89 -12.879 -0.483 -0.483 703 HA PRO 90 HA PRO 90 -14.954 -7.755 -7.755 704 1HB PRO 90 2HB PRO 90 -17.037 -6.466 -6.466 705 2HB PRO 90 1HB PRO 90 -16.747 -6.441 -6.441 706 1HG PRO 90 2HG PRO 90 -16.121 -4.359 -4.359 707 2HG PRO 90 1HG PRO 90 -16.792 -4.158 -4.158 708 1HD PRO 90 2HD PRO 90 -14.150 -3.765 -3.765 709 2HD PRO 90 1HD PRO 90 -14.727 -4.215 -4.215 710 H GLU 91 H GLU 91 -13.771 -5.330 -5.330 711 HA GLU 91 HA GLU 91 -14.626 -6.663 -6.663 712 1HB GLU 91 2HB GLU 91 -13.667 -4.103 -4.103 713 2HB GLU 91 1HB GLU 91 -12.491 -4.786 -4.786 714 1HG GLU 91 2HG GLU 91 -15.369 -4.991 -4.991 715 2HG GLU 91 1HG GLU 91 -14.578 -3.422 -3.422 716 H TYR 92 H TYR 92 -11.905 -6.771 -6.771 717 HA TYR 92 HA TYR 92 -10.493 -8.510 -8.510 718 1HB TYR 92 2HB TYR 92 -9.068 -7.085 -7.085 719 2HB TYR 92 1HB TYR 92 -8.431 -7.674 -7.674 720 HD1 TYR 92 HD2 TYR 92 -10.258 -6.520 -6.520 721 HD2 TYR 92 HD1 TYR 92 -8.641 -4.795 -4.795 722 HE1 TYR 92 HE2 TYR 92 -10.539 -4.281 -4.281 723 HE2 TYR 92 HE1 TYR 92 -8.915 -2.549 -2.549 724 HH TYR 92 HH TYR 92 -9.038 -1.603 -1.603 725 H GLY 93 H GLY 93 -10.956 -7.894 -7.894 726 1HA GLY 93 2HA GLY 93 -11.820 -9.807 -9.807 727 2HA GLY 93 1HA GLY 93 -10.691 -10.812 -10.812 728 H GLU 94 H GLU 94 -8.737 -8.401 -8.401 729 HA GLU 94 HA GLU 94 -8.172 -8.064 -8.064 730 1HB GLU 94 2HB GLU 94 -7.622 -10.679 -10.679 731 2HB GLU 94 1HB GLU 94 -6.054 -9.885 -9.885 732 1HG GLU 94 2HG GLU 94 -6.988 -9.039 -9.039 733 2HG GLU 94 1HG GLU 94 -7.927 -10.524 -10.524 734 H VAL 95 H VAL 95 -7.350 -6.089 -6.089 735 HA VAL 95 HA VAL 95 -4.798 -5.871 -5.871 736 HB VAL 95 HB VAL 95 -5.565 -3.857 -3.857 737 1HG1 VAL 95 3HG1 VAL 95 -5.476 -6.419 -6.419 738 2HG1 VAL 95 2HG1 VAL 95 -7.182 -6.091 -6.091 739 3HG1 VAL 95 1HG1 VAL 95 -5.941 -5.109 -5.109 740 1HG2 VAL 95 2HG2 VAL 95 -7.707 -3.733 -3.733 741 2HG2 VAL 95 1HG2 VAL 95 -7.805 -3.322 -3.322 742 3HG2 VAL 95 3HG2 VAL 95 -8.353 -4.902 -4.902 743 H ILE 96 H ILE 96 -3.634 -3.978 -3.978 744 HA ILE 96 HA ILE 96 -4.333 -2.916 -2.916 745 HB ILE 96 HB ILE 96 -1.958 -2.827 -2.827 746 1HG1 ILE 96 2HG1 ILE 96 -2.484 -4.262 -4.262 747 2HG1 ILE 96 1HG1 ILE 96 -0.857 -3.639 -3.639 748 1HG2 ILE 96 1HG2 ILE 96 -2.495 -0.631 -0.631 749 2HG2 ILE 96 3HG2 ILE 96 -0.924 -0.969 -0.969 750 3HG2 ILE 96 2HG2 ILE 96 -2.273 -0.453 -0.453 751 1HD1 ILE 96 3HD1 ILE 96 -1.426 -1.755 -1.755 752 2HD1 ILE 96 2HD1 ILE 96 -2.961 -2.560 -2.560 753 3HD1 ILE 96 1HD1 ILE 96 -1.443 -3.344 -3.344 754 H GLN 97 H GLN 97 -4.465 -0.577 -0.577 755 HA GLN 97 HA GLN 97 -5.419 0.950 0.950 756 1HB GLN 97 2HB GLN 97 -7.039 -0.035 -0.035 757 2HB GLN 97 1HB GLN 97 -6.851 1.680 1.680 758 1HG GLN 97 2HG GLN 97 -7.532 2.090 2.090 759 2HG GLN 97 1HG GLN 97 -7.974 0.385 0.385 760 1HE2 GLN 97 2HE2 GLN 97 -11.158 1.535 1.535 761 2HE2 GLN 97 1HE2 GLN 97 -10.135 0.971 0.971 762 H LEU 98 H LEU 98 -3.524 2.161 2.161 763 HA LEU 98 HA LEU 98 -2.534 3.550 3.550 764 1HB LEU 98 2HB LEU 98 -1.859 3.902 3.902 765 2HB LEU 98 1HB LEU 98 -0.984 4.613 4.613 766 HG LEU 98 HG LEU 98 -1.280 1.638 1.638 767 1HD1 LEU 98 1HD1 LEU 98 -0.192 3.081 3.081 768 2HD1 LEU 98 3HD1 LEU 98 1.210 2.658 2.658 769 3HD1 LEU 98 2HD1 LEU 98 0.141 1.393 1.393 770 1HD2 LEU 98 3HD2 LEU 98 0.270 3.594 3.594 771 2HD2 LEU 98 2HD2 LEU 98 -0.199 1.942 1.942 772 3HD2 LEU 98 1HD2 LEU 98 1.214 2.234 2.234 773 H GLN 99 H GLN 99 -2.408 5.898 5.898 774 HA GLN 99 HA GLN 99 -4.901 7.112 7.112 775 1HB GLN 99 2HB GLN 99 -3.081 7.507 7.507 776 2HB GLN 99 1HB GLN 99 -3.655 9.009 9.009 777 1HG GLN 99 2HG GLN 99 -5.848 7.202 7.202 778 2HG GLN 99 1HG GLN 99 -4.980 7.326 7.326 779 1HE2 GLN 99 2HE2 GLN 99 -6.486 10.794 10.794 780 2HE2 GLN 99 1HE2 GLN 99 -5.773 9.600 9.600 781 H GLY 100 H GLY 100 -5.001 9.051 9.051 782 1HA GLY 100 2HA GLY 100 -4.309 10.676 10.676 783 2HA GLY 100 1HA GLY 100 -2.695 10.509 10.509 784 H ASP 101 H ASP 101 -2.619 10.992 10.992 785 HA ASP 101 HA ASP 101 -2.836 8.627 8.627 786 1HB ASP 101 2HB ASP 101 -1.781 10.072 10.072 787 2HB ASP 101 1HB ASP 101 -3.261 10.733 10.733 788 H GLN 102 H GLN 102 -1.472 7.075 7.075 789 HA GLN 102 HA GLN 102 1.389 7.713 7.713 790 1HB GLN 102 2HB GLN 102 -0.392 5.845 5.845 791 2HB GLN 102 1HB GLN 102 1.180 5.189 5.189 792 1HG GLN 102 2HG GLN 102 0.935 6.266 6.266 793 2HG GLN 102 1HG GLN 102 2.322 6.741 6.741 794 1HE2 GLN 102 2HE2 GLN 102 -0.734 9.452 9.452 795 2HE2 GLN 102 1HE2 GLN 102 -1.034 7.781 7.781 796 H ARG 103 H ARG 103 -0.635 6.780 6.780 797 HA ARG 103 HA ARG 103 0.092 4.343 4.343 798 1HB ARG 103 2HB ARG 103 -0.523 5.205 5.205 799 2HB ARG 103 1HB ARG 103 -1.643 5.787 5.787 800 1HG ARG 103 2HG ARG 103 -1.281 7.853 7.853 801 2HG ARG 103 1HG ARG 103 0.400 7.708 7.708 802 1HD ARG 103 2HD ARG 103 0.914 8.027 8.027 803 2HD ARG 103 1HD ARG 103 0.384 6.363 6.363 804 HE ARG 103 HE ARG 103 -1.471 7.146 7.146 805 1HH1 ARG 103 2HH1 ARG 103 0.025 9.784 9.784 806 2HH1 ARG 103 1HH1 ARG 103 -0.984 10.992 10.992 807 1HH2 ARG 103 1HH2 ARG 103 -2.800 8.733 8.733 808 2HH2 ARG 103 2HH2 ARG 103 -2.589 10.395 10.395 809 H LYS 104 H LYS 104 1.969 7.262 7.262 810 HA LYS 104 HA LYS 104 3.991 6.184 6.184 811 1HB LYS 104 2HB LYS 104 3.345 8.555 8.555 812 2HB LYS 104 1HB LYS 104 3.877 8.832 8.832 813 1HG LYS 104 2HG LYS 104 6.115 7.756 7.756 814 2HG LYS 104 1HG LYS 104 5.436 8.594 8.594 815 1HD LYS 104 2HD LYS 104 6.895 10.114 10.114 816 2HD LYS 104 1HD LYS 104 5.236 10.639 10.639 817 1HE LYS 104 2HE LYS 104 5.260 9.731 9.731 818 2HE LYS 104 1HE LYS 104 6.796 8.915 8.915 819 1HZ LYS 104 2HZ LYS 104 7.688 11.267 11.267 820 2HZ LYS 104 1HZ LYS 104 6.285 11.793 11.793 821 3HZ LYS 104 3HZ LYS 104 7.381 10.787 10.787 822 H ASN 105 H ASN 105 3.369 6.574 6.574 823 HA ASN 105 HA ASN 105 6.163 6.086 6.086 824 1HB ASN 105 2HB ASN 105 3.697 6.763 6.763 825 2HB ASN 105 1HB ASN 105 5.167 6.197 6.197 826 1HD2 ASN 105 2HD2 ASN 105 4.797 10.006 10.006 827 2HD2 ASN 105 1HD2 ASN 105 3.515 8.850 8.850 828 H ILE 106 H ILE 106 3.035 4.464 4.464 829 HA ILE 106 HA ILE 106 3.820 2.252 2.252 830 HB ILE 106 HB ILE 106 1.461 2.850 2.850 831 1HG1 ILE 106 2HG1 ILE 106 0.657 0.557 0.557 832 2HG1 ILE 106 1HG1 ILE 106 2.198 0.025 0.025 833 1HG2 ILE 106 3HG2 ILE 106 1.805 3.282 3.282 834 2HG2 ILE 106 2HG2 ILE 106 1.891 1.538 1.538 835 3HG2 ILE 106 1HG2 ILE 106 0.409 2.270 2.270 836 1HD1 ILE 106 3HD1 ILE 106 2.326 1.417 1.417 837 2HD1 ILE 106 2HD1 ILE 106 1.544 -0.163 -0.163 838 3HD1 ILE 106 1HD1 ILE 106 3.201 0.001 0.001 839 H CYS 107 H CYS 107 3.643 2.629 2.629 840 HA CYS 107 HA CYS 107 4.619 0.080 0.080 841 1HB CYS 107 2HB CYS 107 4.119 2.574 2.574 842 2HB CYS 107 1HB CYS 107 5.621 1.850 1.850 843 HG CYS 107 HG CYS 107 2.907 0.334 0.334 844 H GLN 108 H GLN 108 6.170 3.056 3.056 845 HA GLN 108 HA GLN 108 8.853 2.215 2.215 846 1HB GLN 108 2HB GLN 108 8.693 4.515 4.515 847 2HB GLN 108 1HB GLN 108 7.504 4.540 4.540 848 1HG GLN 108 2HG GLN 108 9.194 5.355 5.355 849 2HG GLN 108 1HG GLN 108 9.672 3.667 3.667 850 1HE2 GLN 108 2HE2 GLN 108 12.456 3.929 3.929 851 2HE2 GLN 108 1HE2 GLN 108 11.262 2.856 2.856 852 H PHE 109 H PHE 109 6.609 2.034 2.034 853 HA PHE 109 HA PHE 109 8.491 1.324 1.324 854 1HB PHE 109 2HB PHE 109 6.285 2.255 2.255 855 2HB PHE 109 1HB PHE 109 5.503 0.849 0.849 856 HD1 PHE 109 HD2 PHE 109 7.991 1.724 1.724 857 HD2 PHE 109 HD1 PHE 109 4.872 -0.881 -0.881 858 HE1 PHE 109 HE2 PHE 109 8.065 0.587 0.587 859 HE2 PHE 109 HE1 PHE 109 4.939 -2.025 -2.025 860 HZ PHE 109 HZ PHE 109 6.538 -1.291 -1.291 861 H LEU 110 H LEU 110 6.122 -0.574 -0.574 862 HA LEU 110 HA LEU 110 6.790 -3.093 -3.093 863 1HB LEU 110 2HB LEU 110 5.600 -2.105 -2.105 864 2HB LEU 110 1HB LEU 110 6.007 -3.801 -3.801 865 HG LEU 110 HG LEU 110 4.406 -4.146 -4.146 866 1HD1 LEU 110 2HD1 LEU 110 4.200 -1.145 -1.145 867 2HD1 LEU 110 1HD1 LEU 110 3.148 -2.287 -2.287 868 3HD1 LEU 110 3HD1 LEU 110 4.873 -2.247 -2.247 869 1HD2 LEU 110 3HD2 LEU 110 3.463 -3.880 -3.880 870 2HD2 LEU 110 2HD2 LEU 110 2.329 -3.397 -3.397 871 3HD2 LEU 110 1HD2 LEU 110 3.189 -2.169 -2.169 872 H VAL 111 H VAL 111 8.422 -1.048 -1.048 873 HA VAL 111 HA VAL 111 10.177 -3.188 -3.188 874 HB VAL 111 HB VAL 111 10.236 -0.237 -0.237 875 1HG1 VAL 111 3HG1 VAL 111 11.898 -2.553 -2.553 876 2HG1 VAL 111 2HG1 VAL 111 11.470 -1.385 -1.385 877 3HG1 VAL 111 1HG1 VAL 111 12.334 -0.855 -0.855 878 1HG2 VAL 111 1HG2 VAL 111 8.207 -1.739 -1.739 879 2HG2 VAL 111 3HG2 VAL 111 8.927 -0.633 -0.633 880 3HG2 VAL 111 2HG2 VAL 111 9.325 -2.351 -2.351 881 H GLU 112 H GLU 112 10.154 -0.477 -0.477 882 HA GLU 112 HA GLU 112 12.974 -0.385 -0.385 883 1HB GLU 112 2HB GLU 112 10.585 0.766 0.766 884 2HB GLU 112 1HB GLU 112 12.183 0.873 0.873 885 1HG GLU 112 2HG GLU 112 12.085 1.719 1.719 886 2HG GLU 112 1HG GLU 112 11.094 2.690 2.690 887 H ILE 113 H ILE 113 10.254 -1.621 -1.621 888 HA ILE 113 HA ILE 113 11.974 -2.854 -2.854 889 HB ILE 113 HB ILE 113 10.004 -3.634 -3.634 890 1HG1 ILE 113 2HG1 ILE 113 8.541 -3.020 -3.020 891 2HG1 ILE 113 1HG1 ILE 113 8.869 -4.621 -4.621 892 1HG2 ILE 113 2HG2 ILE 113 10.476 -1.089 -1.089 893 2HG2 ILE 113 1HG2 ILE 113 9.001 -1.085 -1.085 894 3HG2 ILE 113 3HG2 ILE 113 8.956 -1.637 -1.637 895 1HD1 ILE 113 2HD1 ILE 113 7.461 -2.957 -2.957 896 2HD1 ILE 113 1HD1 ILE 113 6.587 -3.121 -3.121 897 3HD1 ILE 113 3HD1 ILE 113 7.062 -4.558 -4.558 898 H GLY 114 H GLY 114 10.878 -3.760 -3.760 899 1HA GLY 114 2HA GLY 114 11.472 -5.681 -5.681 900 2HA GLY 114 1HA GLY 114 12.028 -6.404 -6.404 901 H LEU 115 H LEU 115 8.889 -4.941 -4.941 902 HA LEU 115 HA LEU 115 7.568 -7.310 -7.310 903 1HB LEU 115 2HB LEU 115 6.975 -4.723 -4.723 904 2HB LEU 115 1HB LEU 115 6.052 -5.066 -5.066 905 HG LEU 115 HG LEU 115 4.711 -6.686 -6.686 906 1HD1 LEU 115 3HD1 LEU 115 6.692 -6.317 -6.317 907 2HD1 LEU 115 2HD1 LEU 115 5.075 -6.955 -6.955 908 3HD1 LEU 115 1HD1 LEU 115 6.177 -7.807 -7.807 909 1HD2 LEU 115 2HD2 LEU 115 4.277 -4.196 -4.196 910 2HD2 LEU 115 1HD2 LEU 115 3.497 -5.286 -5.286 911 3HD2 LEU 115 3HD2 LEU 115 4.933 -4.381 -4.381 912 H ALA 116 H ALA 116 7.000 -5.382 -5.382 913 HA ALA 116 HA ALA 116 6.232 -7.868 -7.868 914 1HB ALA 116 2HB ALA 116 4.596 -5.899 -5.899 915 2HB ALA 116 1HB ALA 116 5.570 -5.117 -5.117 916 3HB ALA 116 3HB ALA 116 4.763 -6.648 -6.648 917 H LYS 117 H LYS 117 6.628 -7.759 -7.759 918 HA LYS 117 HA LYS 117 9.435 -7.099 -7.099 919 1HB LYS 117 2HB LYS 117 7.577 -9.052 -9.052 920 2HB LYS 117 1HB LYS 117 8.435 -8.224 -8.224 921 1HG LYS 117 2HG LYS 117 9.560 -10.282 -10.282 922 2HG LYS 117 1HG LYS 117 10.560 -8.849 -8.849 923 1HD LYS 117 2HD LYS 117 8.879 -9.588 -9.588 924 2HD LYS 117 1HD LYS 117 10.133 -10.760 -10.760 925 1HE LYS 117 2HE LYS 117 11.180 -8.078 -8.078 926 2HE LYS 117 1HE LYS 117 10.422 -8.395 -8.395 927 1HZ LYS 117 3HZ LYS 117 12.165 -10.479 -10.479 928 2HZ LYS 117 2HZ LYS 117 12.922 -9.052 -9.052 929 3HZ LYS 117 1HZ LYS 117 11.965 -9.928 -9.928 930 H ASP 118 H ASP 118 10.185 -5.885 -5.885 931 HA ASP 118 HA ASP 118 8.854 -3.490 -3.490 932 1HB ASP 118 2HB ASP 118 10.483 -3.095 -3.095 933 2HB ASP 118 1HB ASP 118 11.263 -3.765 -3.765 934 H ASP 119 H ASP 119 8.593 -6.552 -6.552 935 HA ASP 119 HA ASP 119 7.199 -5.513 -5.513 936 1HB ASP 119 2HB ASP 119 8.606 -7.747 -7.747 937 2HB ASP 119 1HB ASP 119 7.034 -8.393 -8.393 938 H GLN 120 H GLN 120 6.408 -6.816 -6.816 939 HA GLN 120 HA GLN 120 3.633 -7.249 -7.249 940 1HB GLN 120 2HB GLN 120 5.266 -7.063 -7.063 941 2HB GLN 120 1HB GLN 120 3.525 -7.289 -7.289 942 1HG GLN 120 2HG GLN 120 3.944 -9.316 -9.316 943 2HG GLN 120 1HG GLN 120 5.635 -9.147 -9.147 944 1HE2 GLN 120 2HE2 GLN 120 2.950 -9.938 -9.938 945 2HE2 GLN 120 1HE2 GLN 120 2.547 -8.842 -8.842 946 H LEU 121 H LEU 121 5.513 -4.487 -4.487 947 HA LEU 121 HA LEU 121 3.904 -2.826 -2.826 948 1HB LEU 121 2HB LEU 121 5.646 -2.157 -2.157 949 2HB LEU 121 1HB LEU 121 4.924 -0.952 -0.952 950 HG LEU 121 HG LEU 121 6.782 -3.096 -3.096 951 1HD1 LEU 121 1HD1 LEU 121 7.362 -0.379 -0.379 952 2HD1 LEU 121 3HD1 LEU 121 8.404 -1.098 -1.098 953 3HD1 LEU 121 2HD1 LEU 121 8.174 -1.912 -1.912 954 1HD2 LEU 121 3HD2 LEU 121 5.107 -1.738 -1.738 955 2HD2 LEU 121 2HD2 LEU 121 6.768 -1.992 -1.992 956 3HD2 LEU 121 1HD2 LEU 121 6.300 -0.452 -0.452 957 H LYS 122 H LYS 122 1.737 -3.084 -3.084 958 HA LYS 122 HA LYS 122 0.746 -2.212 -2.212 959 1HB LYS 122 2HB LYS 122 -0.124 -4.301 -4.301 960 2HB LYS 122 1HB LYS 122 -1.423 -3.343 -3.343 961 1HG LYS 122 2HG LYS 122 0.693 -4.719 -4.719 962 2HG LYS 122 1HG LYS 122 -0.873 -5.432 -5.432 963 1HD LYS 122 2HD LYS 122 -1.971 -4.146 -4.146 964 2HD LYS 122 1HD LYS 122 -0.999 -2.720 -2.720 965 1HE LYS 122 2HE LYS 122 0.879 -4.022 -4.022 966 2HE LYS 122 1HE LYS 122 -0.465 -4.936 -4.936 967 1HZ LYS 122 2HZ LYS 122 -1.425 -2.719 -2.719 968 2HZ LYS 122 1HZ LYS 122 0.069 -2.034 -2.034 969 3HZ LYS 122 3HZ LYS 122 -0.032 -3.182 -3.182 970 H VAL 123 H VAL 123 1.150 -0.009 -0.009 971 HA VAL 123 HA VAL 123 -0.696 0.914 0.914 972 HB VAL 123 HB VAL 123 1.607 1.755 1.755 973 1HG1 VAL 123 3HG1 VAL 123 1.438 1.848 1.848 974 2HG1 VAL 123 2HG1 VAL 123 1.271 3.551 3.551 975 3HG1 VAL 123 1HG1 VAL 123 2.686 2.644 2.644 976 1HG2 VAL 123 3HG2 VAL 123 -0.390 3.115 3.115 977 2HG2 VAL 123 2HG2 VAL 123 1.096 4.010 4.010 978 3HG2 VAL 123 1HG2 VAL 123 -0.219 4.026 4.026 979 H HIS 124 H HIS 124 -2.657 1.644 1.644 980 HA HIS 124 HA HIS 124 -3.106 2.767 2.767 981 1HB HIS 124 2HB HIS 124 -5.159 1.311 1.311 982 2HB HIS 124 1HB HIS 124 -5.315 1.830 1.830 983 HD1 HIS 124 HD1 HIS 124 -4.582 0.211 0.211 984 HD2 HIS 124 HD2 HIS 124 -3.234 -0.847 -0.847 985 HE1 HIS 124 HE1 HIS 124 -3.515 -2.049 -2.049 986 HE2 HIS 124 HE2 HIS 124 -2.823 -2.721 -2.721 987 H GLY 125 H GLY 125 -3.394 3.243 3.243 988 1HA GLY 125 2HA GLY 125 -4.226 4.973 4.973 989 2HA GLY 125 1HA GLY 125 -3.880 5.963 5.963 990 H PHE 126 HN PHE 126 -5.544 6.926 6.926 991 HA PHE 126 HA PHE 126 -8.172 5.708 5.708 992 1HB PHE 126 2HB PHE 126 -9.152 7.953 7.953 993 2HB PHE 126 1HB PHE 126 -8.505 6.818 6.818 994 HD1 PHE 126 HD2 PHE 126 -6.215 8.774 8.774 995 HD2 PHE 126 HD1 PHE 126 -8.278 8.577 8.577 996 HE1 PHE 126 HE2 PHE 126 -4.751 10.531 10.531 997 HE2 PHE 126 HE1 PHE 126 -6.817 10.338 10.338 998 HZ PHE 126 HZ PHE 126 -5.051 11.316 11.316 Start of MODEL 12 1 1H MET 1 3H MET 1 -14.839 16.823 16.823 2 2H MET 1 2H MET 1 -14.694 15.132 15.132 3 3H MET 1 1H MET 1 -13.406 16.179 16.179 4 HA MET 1 HA MET 1 -14.437 15.630 15.630 5 1HB MET 1 2HB MET 1 -16.936 15.973 15.973 6 2HB MET 1 1HB MET 1 -16.440 14.636 14.636 7 1HG MET 1 2HG MET 1 -16.779 17.145 17.145 8 2HG MET 1 1HG MET 1 -18.250 16.577 16.577 9 1HE MET 1 2HE MET 1 -18.685 13.717 13.717 10 2HE MET 1 1HE MET 1 -19.222 13.411 13.411 11 3HE MET 1 3HE MET 1 -19.779 14.849 14.849 12 H ARG 2 H ARG 2 -13.462 17.297 17.297 13 HA ARG 2 HA ARG 2 -14.083 20.036 20.036 14 1HB ARG 2 2HB ARG 2 -12.166 18.622 18.622 15 2HB ARG 2 1HB ARG 2 -12.600 20.268 20.268 16 1HG ARG 2 2HG ARG 2 -11.925 19.949 19.949 17 2HG ARG 2 1HG ARG 2 -10.605 19.559 19.559 18 1HD ARG 2 2HD ARG 2 -11.993 21.976 21.976 19 2HD ARG 2 1HD ARG 2 -11.369 22.088 22.088 20 HE ARG 2 HE ARG 2 -9.846 22.045 22.045 21 1HH1 ARG 2 2HH1 ARG 2 -9.775 21.317 21.317 22 2HH1 ARG 2 1HH1 ARG 2 -8.054 21.462 21.462 23 1HH2 ARG 2 1HH2 ARG 2 -7.582 22.236 22.236 24 2HH2 ARG 2 2HH2 ARG 2 -6.808 21.983 21.983 25 H GLY 3 H GLY 3 -15.004 17.705 17.705 26 1HA GLY 3 2HA GLY 3 -17.369 18.711 18.711 27 2HA GLY 3 1HA GLY 3 -16.251 19.707 19.707 28 H SER 4 H SER 4 -16.176 19.038 19.038 29 HA SER 4 HA SER 4 -15.494 16.297 16.297 30 1HB SER 4 2HB SER 4 -18.199 17.424 17.424 31 2HB SER 4 1HB SER 4 -17.468 16.311 16.311 32 HG SER 4 HG SER 4 -18.670 15.136 15.136 33 H HIS 5 H HIS 5 -13.619 17.566 17.566 34 HA HIS 5 HA HIS 5 -13.735 19.465 19.465 35 1HB HIS 5 2HB HIS 5 -11.319 19.150 19.150 36 2HB HIS 5 1HB HIS 5 -11.805 19.246 19.246 37 HD1 HIS 5 HD1 HIS 5 -9.164 17.866 17.866 38 HD2 HIS 5 HD2 HIS 5 -12.687 15.917 15.917 39 HE1 HIS 5 HE1 HIS 5 -8.488 15.511 15.511 40 HE2 HIS 5 HE2 HIS 5 -10.623 14.381 14.381 41 H HIS 6 H HIS 6 -13.393 19.291 19.291 42 HA HIS 6 HA HIS 6 -13.681 16.575 16.575 43 1HB HIS 6 2HB HIS 6 -14.545 17.943 17.943 44 2HB HIS 6 1HB HIS 6 -15.612 17.661 17.661 45 HD1 HIS 6 HD1 HIS 6 -14.043 20.333 20.333 46 HD2 HIS 6 HD2 HIS 6 -15.949 19.969 19.969 47 HE1 HIS 6 HE1 HIS 6 -14.627 22.679 22.679 48 HE2 HIS 6 HE2 HIS 6 -15.863 22.425 22.425 49 H HIS 7 H HIS 7 -11.346 16.374 16.374 50 HA HIS 7 HA HIS 7 -9.583 18.087 18.087 51 1HB HIS 7 2HB HIS 7 -9.437 15.325 15.325 52 2HB HIS 7 1HB HIS 7 -8.203 15.805 15.805 53 HD1 HIS 7 HD1 HIS 7 -6.837 15.333 15.333 54 HD2 HIS 7 HD2 HIS 7 -8.971 18.872 18.872 55 HE1 HIS 7 HE1 HIS 7 -5.885 16.903 16.903 56 HE2 HIS 7 HE2 HIS 7 -7.245 19.012 19.012 57 H HIS 8 H HIS 8 -8.496 17.787 17.787 58 HA HIS 8 HA HIS 8 -10.206 17.002 17.002 59 1HB HIS 8 2HB HIS 8 -7.972 18.615 18.615 60 2HB HIS 8 1HB HIS 8 -7.382 17.261 17.261 61 HD1 HIS 8 HD1 HIS 8 -7.784 17.445 17.445 62 HD2 HIS 8 HD2 HIS 8 -10.432 19.782 19.782 63 HE1 HIS 8 HE1 HIS 8 -9.131 18.709 18.709 64 HE2 HIS 8 HE2 HIS 8 -10.664 20.186 20.186 65 H HIS 9 H HIS 9 -10.444 15.092 15.092 66 HA HIS 9 HA HIS 9 -8.691 12.899 12.899 67 1HB HIS 9 2HB HIS 9 -11.253 12.783 12.783 68 2HB HIS 9 1HB HIS 9 -10.404 11.423 11.423 69 HD1 HIS 9 HD1 HIS 9 -11.263 10.721 10.721 70 HD2 HIS 9 HD2 HIS 9 -12.206 14.679 14.679 71 HE1 HIS 9 HE1 HIS 9 -12.693 11.491 11.491 72 HE2 HIS 9 HE2 HIS 9 -13.329 13.861 13.861 73 H HIS 10 H HIS 10 -8.637 11.155 11.155 74 HA HIS 10 HA HIS 10 -7.613 10.577 10.577 75 1HB HIS 10 2HB HIS 10 -9.603 12.162 12.162 76 2HB HIS 10 1HB HIS 10 -8.269 13.196 13.196 77 HD1 HIS 10 HD1 HIS 10 -8.389 12.923 12.923 78 HD2 HIS 10 HD2 HIS 10 -8.347 9.282 9.282 79 HE1 HIS 10 HE1 HIS 10 -8.153 11.173 11.173 80 HE2 HIS 10 HE2 HIS 10 -8.044 8.984 8.984 81 H THR 11 H THR 11 -5.602 10.819 10.819 82 HA THR 11 HA THR 11 -3.851 12.758 12.758 83 HB THR 11 HB THR 11 -2.796 12.869 12.869 84 HG1 THR 11 HG1 THR 11 -4.681 11.666 11.666 85 1HG2 THR 11 3HG2 THR 11 -3.719 14.722 14.722 86 2HG2 THR 11 2HG2 THR 11 -5.048 14.738 14.738 87 3HG2 THR 11 1HG2 THR 11 -3.401 15.055 15.055 88 H ASP 12 H ASP 12 -4.050 10.035 10.035 89 HA ASP 12 HA ASP 12 -1.819 8.773 8.773 90 1HB ASP 12 2HB ASP 12 -1.861 9.584 9.584 91 2HB ASP 12 1HB ASP 12 -1.132 8.030 8.030 92 HA PRO 13 HA PRO 13 -5.288 5.777 5.777 93 1HB PRO 13 2HB PRO 13 -3.285 4.346 4.346 94 2HB PRO 13 1HB PRO 13 -5.027 4.526 4.526 95 1HG PRO 13 2HG PRO 13 -3.313 5.949 5.949 96 2HG PRO 13 1HG PRO 13 -4.824 6.668 6.668 97 1HD PRO 13 2HD PRO 13 -2.034 7.053 7.053 98 2HD PRO 13 1HD PRO 13 -3.376 8.213 8.213 99 H MET 14 H MET 14 -1.856 5.397 5.397 100 HA MET 14 HA MET 14 -1.963 2.811 2.811 101 1HB MET 14 2HB MET 14 0.040 5.046 5.046 102 2HB MET 14 1HB MET 14 0.268 3.400 3.400 103 1HG MET 14 2HG MET 14 -0.420 3.473 3.473 104 2HG MET 14 1HG MET 14 1.019 4.428 4.428 105 1HE MET 14 1HE MET 14 -0.774 1.270 1.270 106 2HE MET 14 3HE MET 14 0.444 -0.006 -0.006 107 3HE MET 14 2HE MET 14 0.377 1.120 1.120 108 H SER 15 H SER 15 -2.539 6.020 6.020 109 HA SER 15 HA SER 15 -2.270 5.526 5.526 110 1HB SER 15 2HB SER 15 -3.397 7.576 7.576 111 2HB SER 15 1HB SER 15 -2.571 7.773 7.773 112 HG SER 15 HG SER 15 -4.672 8.472 8.472 113 H ALA 16 H ALA 16 -5.213 5.500 5.500 114 HA ALA 16 HA ALA 16 -6.488 3.824 3.824 115 1HB ALA 16 2HB ALA 16 -7.471 6.121 6.121 116 2HB ALA 16 1HB ALA 16 -8.597 4.774 4.774 117 3HB ALA 16 3HB ALA 16 -7.934 5.553 5.553 118 H ILE 17 H ILE 17 -5.760 1.872 1.872 119 HA ILE 17 HA ILE 17 -6.679 1.241 1.241 120 HB ILE 17 HB ILE 17 -4.920 -0.445 -0.445 121 1HG1 ILE 17 2HG1 ILE 17 -3.995 1.330 1.330 122 2HG1 ILE 17 1HG1 ILE 17 -4.003 1.865 1.865 123 1HG2 ILE 17 2HG2 ILE 17 -6.251 -1.341 -1.341 124 2HG2 ILE 17 1HG2 ILE 17 -4.955 -0.561 -0.561 125 3HG2 ILE 17 3HG2 ILE 17 -4.575 -1.821 -1.821 126 1HD1 ILE 17 1HD1 ILE 17 -2.626 -0.317 -0.317 127 2HD1 ILE 17 3HD1 ILE 17 -2.294 -0.171 -0.171 128 3HD1 ILE 17 2HD1 ILE 17 -1.848 1.136 1.136 129 H GLN 18 H GLN 18 -8.917 1.116 1.116 130 HA GLN 18 HA GLN 18 -9.541 -1.483 -1.483 131 1HB GLN 18 2HB GLN 18 -9.974 0.213 0.213 132 2HB GLN 18 1HB GLN 18 -10.927 1.149 1.149 133 1HG GLN 18 2HG GLN 18 -12.681 -0.391 -0.391 134 2HG GLN 18 1HG GLN 18 -11.685 -1.647 -1.647 135 1HE2 GLN 18 2HE2 GLN 18 -13.071 1.406 1.406 136 2HE2 GLN 18 1HE2 GLN 18 -12.711 1.682 1.682 137 H ASN 19 H ASN 19 -11.589 -2.391 -2.391 138 HA ASN 19 HA ASN 19 -12.624 -1.284 -1.284 139 1HB ASN 19 2HB ASN 19 -11.990 -4.163 -4.163 140 2HB ASN 19 1HB ASN 19 -12.983 -3.686 -3.686 141 1HD2 ASN 19 2HD2 ASN 19 -10.324 -2.744 -2.744 142 2HD2 ASN 19 1HD2 ASN 19 -12.035 -2.834 -2.834 143 H LEU 20 H LEU 20 -13.891 -0.521 -0.521 144 HA LEU 20 HA LEU 20 -15.922 -0.424 -0.424 145 1HB LEU 20 2HB LEU 20 -16.503 -2.065 -2.065 146 2HB LEU 20 1HB LEU 20 -17.742 -1.903 -1.903 147 HG LEU 20 HG LEU 20 -18.117 -0.264 -0.264 148 1HD1 LEU 20 1HD1 LEU 20 -18.144 0.277 0.277 149 2HD1 LEU 20 3HD1 LEU 20 -16.964 1.479 1.479 150 3HD1 LEU 20 2HD1 LEU 20 -18.580 1.465 1.465 151 1HD2 LEU 20 1HD2 LEU 20 -15.583 -0.253 -0.253 152 2HD2 LEU 20 3HD2 LEU 20 -16.544 1.205 1.205 153 3HD2 LEU 20 2HD2 LEU 20 -15.506 1.067 1.067 154 H HIS 21 H HIS 21 -16.241 -3.781 -3.781 155 HA HIS 21 HA HIS 21 -15.597 -4.823 -4.823 156 1HB HIS 21 2HB HIS 21 -17.758 -5.808 -5.808 157 2HB HIS 21 1HB HIS 21 -17.956 -4.072 -4.072 158 HD1 HIS 21 HD1 HIS 21 -18.197 -3.856 -3.856 159 HD2 HIS 21 HD2 HIS 21 -20.071 -6.810 -6.810 160 HE1 HIS 21 HE1 HIS 21 -20.135 -4.633 -4.633 161 HE2 HIS 21 HE2 HIS 21 -21.311 -6.352 -6.352 162 H SER 22 H SER 22 -15.602 -7.178 -7.178 163 HA SER 22 HA SER 22 -15.403 -8.361 -8.361 164 1HB SER 22 2HB SER 22 -13.523 -8.408 -8.408 165 2HB SER 22 1HB SER 22 -13.740 -9.937 -9.937 166 HG SER 22 HG SER 22 -12.404 -7.709 -7.709 167 H PHE 23 H PHE 23 -16.114 -8.962 -8.962 168 HA PHE 23 HA PHE 23 -16.880 -11.626 -11.626 169 1HB PHE 23 2HB PHE 23 -18.126 -11.246 -11.246 170 2HB PHE 23 1HB PHE 23 -16.605 -10.363 -10.363 171 HD1 PHE 23 HD2 PHE 23 -20.243 -10.071 -10.071 172 HD2 PHE 23 HD1 PHE 23 -16.560 -7.961 -7.961 173 HE1 PHE 23 HE2 PHE 23 -21.475 -8.000 -8.000 174 HE2 PHE 23 HE1 PHE 23 -17.785 -5.885 -5.885 175 HZ PHE 23 HZ PHE 23 -20.245 -5.903 -5.903 176 H ASP 24 H ASP 24 -18.569 -12.684 -12.684 177 HA ASP 24 HA ASP 24 -21.181 -11.683 -11.683 178 1HB ASP 24 2HB ASP 24 -19.395 -10.974 -10.974 179 2HB ASP 24 1HB ASP 24 -20.772 -11.912 -11.912 180 HA PRO 25 HA PRO 25 -21.716 -16.097 -16.097 181 1HB PRO 25 2HB PRO 25 -24.344 -15.377 -15.377 182 2HB PRO 25 1HB PRO 25 -23.983 -16.410 -16.410 183 1HG PRO 25 2HG PRO 25 -24.975 -13.960 -13.960 184 2HG PRO 25 1HG PRO 25 -23.746 -14.613 -14.613 185 1HD PRO 25 2HD PRO 25 -23.456 -12.611 -12.611 186 2HD PRO 25 1HD PRO 25 -22.644 -12.685 -12.685 187 H PHE 26 H PHE 26 -22.378 -13.992 -13.992 188 HA PHE 26 HA PHE 26 -21.848 -16.243 -16.243 189 1HB PHE 26 2HB PHE 26 -22.987 -14.626 -14.626 190 2HB PHE 26 1HB PHE 26 -23.988 -15.546 -15.546 191 HD1 PHE 26 HD2 PHE 26 -24.834 -14.406 -14.406 192 HD2 PHE 26 HD1 PHE 26 -23.039 -12.287 -12.287 193 HE1 PHE 26 HE2 PHE 26 -25.851 -12.317 -12.317 194 HE2 PHE 26 HE1 PHE 26 -24.051 -10.194 -10.194 195 HZ PHE 26 HZ PHE 26 -25.460 -10.208 -10.208 196 H ALA 27 H ALA 27 -19.714 -14.959 -14.959 197 HA ALA 27 HA ALA 27 -18.220 -14.139 -14.139 198 1HB ALA 27 1HB ALA 27 -19.654 -12.077 -12.077 199 2HB ALA 27 3HB ALA 27 -18.433 -11.919 -11.919 200 3HB ALA 27 2HB ALA 27 -17.957 -11.869 -11.869 201 H ASP 28 H ASP 28 -17.901 -16.118 -16.118 202 HA ASP 28 HA ASP 28 -16.317 -17.062 -17.062 203 1HB ASP 28 2HB ASP 28 -14.841 -14.852 -14.852 204 2HB ASP 28 1HB ASP 28 -14.069 -15.619 -15.619 205 H ALA 29 H ALA 29 -16.688 -17.097 -17.097 206 HA ALA 29 HA ALA 29 -16.066 -14.724 -14.724 207 1HB ALA 29 1HB ALA 29 -18.495 -14.670 -14.670 208 2HB ALA 29 3HB ALA 29 -18.653 -16.240 -16.240 209 3HB ALA 29 2HB ALA 29 -18.128 -14.837 -14.837 210 H SER 30 H SER 30 -14.504 -16.995 -16.995 211 HA SER 30 HA SER 30 -14.219 -17.783 -17.783 212 1HB SER 30 2HB SER 30 -14.422 -20.318 -20.318 213 2HB SER 30 1HB SER 30 -15.856 -19.408 -19.408 214 HG SER 30 HG SER 30 -16.131 -20.610 -20.610 215 H LYS 31 H LYS 31 -12.221 -18.698 -18.698 216 HA LYS 31 HA LYS 31 -10.536 -19.851 -19.851 217 1HB LYS 31 2HB LYS 31 -10.626 -17.004 -17.004 218 2HB LYS 31 1HB LYS 31 -9.057 -17.478 -17.478 219 1HG LYS 31 2HG LYS 31 -8.363 -18.318 -18.318 220 2HG LYS 31 1HG LYS 31 -9.956 -18.956 -18.956 221 1HD LYS 31 2HD LYS 31 -10.714 -16.800 -16.800 222 2HD LYS 31 1HD LYS 31 -9.256 -16.025 -16.025 223 1HE LYS 31 2HE LYS 31 -8.224 -16.354 -16.354 224 2HE LYS 31 1HE LYS 31 -8.503 -18.090 -18.090 225 1HZ LYS 31 1HZ LYS 31 -10.501 -16.162 -16.162 226 2HZ LYS 31 3HZ LYS 31 -9.439 -17.043 -17.043 227 3HZ LYS 31 2HZ LYS 31 -10.594 -17.850 -17.850 228 H GLY 32 H GLY 32 -10.322 -21.293 -21.293 229 1HA GLY 32 2HA GLY 32 -8.286 -20.434 -20.434 230 2HA GLY 32 1HA GLY 32 -9.778 -21.113 -21.113 231 H ASP 33 H ASP 33 -7.328 -21.886 -21.886 232 HA ASP 33 HA ASP 33 -7.569 -24.712 -24.712 233 1HB ASP 33 2HB ASP 33 -6.903 -23.320 -23.320 234 2HB ASP 33 1HB ASP 33 -6.127 -24.871 -24.871 235 H ASP 34 H ASP 34 -6.233 -24.490 -24.490 236 HA ASP 34 HA ASP 34 -4.276 -24.663 -24.663 237 1HB ASP 34 2HB ASP 34 -3.884 -26.202 -26.202 238 2HB ASP 34 1HB ASP 34 -2.694 -24.964 -24.964 239 H LEU 35 H LEU 35 -4.884 -22.212 -22.212 240 HA LEU 35 HA LEU 35 -3.331 -20.352 -20.352 241 1HB LEU 35 2HB LEU 35 -5.258 -20.315 -20.315 242 2HB LEU 35 1HB LEU 35 -3.926 -19.249 -19.249 243 HG LEU 35 HG LEU 35 -5.701 -18.020 -18.020 244 1HD1 LEU 35 3HD1 LEU 35 -3.145 -17.673 -17.673 245 2HD1 LEU 35 2HD1 LEU 35 -3.572 -18.199 -18.199 246 3HD1 LEU 35 1HD1 LEU 35 -4.350 -16.779 -16.779 247 1HD2 LEU 35 3HD2 LEU 35 -6.152 -20.270 -20.270 248 2HD2 LEU 35 2HD2 LEU 35 -6.759 -18.674 -18.674 249 3HD2 LEU 35 1HD2 LEU 35 -5.284 -19.294 -19.294 250 H LEU 36 H LEU 36 -1.240 -19.902 -19.902 251 HA LEU 36 HA LEU 36 0.497 -21.149 -21.149 252 1HB LEU 36 2HB LEU 36 0.720 -19.296 -19.296 253 2HB LEU 36 1HB LEU 36 1.913 -18.996 -18.996 254 HG LEU 36 HG LEU 36 2.714 -21.293 -21.293 255 1HD1 LEU 36 2HD1 LEU 36 0.321 -21.569 -21.569 256 2HD1 LEU 36 1HD1 LEU 36 1.766 -22.464 -22.464 257 3HD1 LEU 36 3HD1 LEU 36 1.052 -22.715 -22.715 258 1HD2 LEU 36 2HD2 LEU 36 2.563 -19.638 -19.638 259 2HD2 LEU 36 1HD2 LEU 36 3.919 -19.869 -19.869 260 3HD2 LEU 36 3HD2 LEU 36 3.431 -21.172 -21.172 261 HA PRO 37 HA PRO 37 0.394 -18.435 -18.435 262 1HB PRO 37 2HB PRO 37 2.904 -18.737 -18.737 263 2HB PRO 37 1HB PRO 37 1.675 -20.002 -20.002 264 1HG PRO 37 2HG PRO 37 3.914 -19.720 -19.720 265 2HG PRO 37 1HG PRO 37 3.359 -21.167 -21.167 266 1HD PRO 37 2HD PRO 37 2.681 -20.649 -20.649 267 2HD PRO 37 1HD PRO 37 1.605 -21.513 -21.513 268 H ALA 38 H ALA 38 2.961 -18.058 -18.058 269 HA ALA 38 HA ALA 38 3.867 -15.521 -15.521 270 1HB ALA 38 2HB ALA 38 4.960 -17.336 -17.336 271 2HB ALA 38 1HB ALA 38 4.289 -16.243 -16.243 272 3HB ALA 38 3HB ALA 38 5.430 -15.636 -15.636 273 H GLY 39 H GLY 39 1.915 -14.318 -14.318 274 1HA GLY 39 2HA GLY 39 1.207 -12.921 -12.921 275 2HA GLY 39 1HA GLY 39 -0.105 -13.841 -13.841 276 H THR 40 H THR 40 -0.053 -13.444 -13.444 277 HA THR 40 HA THR 40 -0.391 -10.550 -10.550 278 HB THR 40 HB THR 40 -1.336 -11.733 -11.733 279 HG1 THR 40 HG1 THR 40 -1.969 -13.665 -13.665 280 1HG2 THR 40 3HG2 THR 40 -2.790 -10.970 -10.970 281 2HG2 THR 40 2HG2 THR 40 -3.596 -11.429 -11.429 282 3HG2 THR 40 1HG2 THR 40 -2.560 -10.003 -10.003 283 H GLU 41 H GLU 41 1.504 -13.204 -13.204 284 HA GLU 41 HA GLU 41 3.310 -13.314 -13.314 285 1HB GLU 41 2HB GLU 41 3.422 -10.713 -10.713 286 2HB GLU 41 1HB GLU 41 4.117 -10.659 -10.659 287 1HG GLU 41 2HG GLU 41 4.901 -12.704 -12.704 288 2HG GLU 41 1HG GLU 41 5.710 -11.147 -11.147 289 H ASP 42 H ASP 42 0.507 -12.458 -12.458 290 HA ASP 42 HA ASP 42 -0.492 -11.840 -11.840 291 1HB ASP 42 2HB ASP 42 1.886 -13.477 -13.477 292 2HB ASP 42 1HB ASP 42 0.958 -12.708 -12.708 293 H TYR 43 H TYR 43 0.240 -9.578 -9.578 294 HA TYR 43 HA TYR 43 2.318 -8.220 -8.220 295 1HB TYR 43 2HB TYR 43 -0.200 -7.050 -7.050 296 2HB TYR 43 1HB TYR 43 1.281 -6.175 -6.175 297 HD1 TYR 43 HD1 TYR 43 3.138 -8.454 -8.454 298 HD2 TYR 43 HD2 TYR 43 -0.243 -6.438 -6.438 299 HE1 TYR 43 HE1 TYR 43 3.971 -8.891 -8.891 300 HE2 TYR 43 HE2 TYR 43 0.581 -6.880 -6.880 301 HH TYR 43 HH TYR 43 2.870 -7.330 -7.330 302 H ILE 44 H ILE 44 1.701 -6.134 -6.134 303 HA ILE 44 HA ILE 44 -0.113 -6.961 -6.961 304 HB ILE 44 HB ILE 44 2.333 -5.193 -5.193 305 1HG1 ILE 44 2HG1 ILE 44 3.117 -7.405 -7.405 306 2HG1 ILE 44 1HG1 ILE 44 3.030 -7.048 -7.048 307 1HG2 ILE 44 1HG2 ILE 44 0.329 -5.958 -5.958 308 2HG2 ILE 44 3HG2 ILE 44 1.901 -5.237 -5.237 309 3HG2 ILE 44 2HG2 ILE 44 0.705 -4.339 -4.339 310 1HD1 ILE 44 1HD1 ILE 44 0.754 -8.164 -8.164 311 2HD1 ILE 44 3HD1 ILE 44 1.194 -8.754 -8.754 312 3HD1 ILE 44 2HD1 ILE 44 2.163 -9.205 -9.205 313 H HIS 45 H HIS 45 -1.977 -6.002 -6.002 314 HA HIS 45 HA HIS 45 -2.240 -3.516 -3.516 315 1HB HIS 45 2HB HIS 45 -3.971 -5.546 -5.546 316 2HB HIS 45 1HB HIS 45 -4.559 -3.990 -3.990 317 HD1 HIS 45 HD1 HIS 45 -3.473 -5.557 -5.557 318 HD2 HIS 45 HD2 HIS 45 -6.104 -2.702 -2.702 319 HE1 HIS 45 HE1 HIS 45 -4.800 -4.773 -4.773 320 HE2 HIS 45 HE2 HIS 45 -6.312 -2.969 -2.969 321 H ILE 46 H ILE 46 -2.559 -1.492 -1.492 322 HA ILE 46 HA ILE 46 -2.683 -0.901 -0.901 323 HB ILE 46 HB ILE 46 -0.550 0.076 0.076 324 1HG1 ILE 46 2HG1 ILE 46 -0.736 -1.821 -1.821 325 2HG1 ILE 46 1HG1 ILE 46 0.670 -1.407 -1.407 326 1HG2 ILE 46 3HG2 ILE 46 -1.445 1.338 1.338 327 2HG2 ILE 46 2HG2 ILE 46 0.083 1.700 1.700 328 3HG2 ILE 46 1HG2 ILE 46 -1.447 2.074 2.074 329 1HD1 ILE 46 2HD1 ILE 46 -0.096 0.232 0.232 330 2HD1 ILE 46 1HD1 ILE 46 0.824 -1.261 -1.261 331 3HD1 ILE 46 3HD1 ILE 46 1.477 0.068 0.068 332 H ARG 47 H ARG 47 -4.558 0.131 0.131 333 HA ARG 47 HA ARG 47 -5.082 2.226 2.226 334 1HB ARG 47 2HB ARG 47 -6.899 0.198 0.198 335 2HB ARG 47 1HB ARG 47 -7.556 1.733 1.733 336 1HG ARG 47 2HG ARG 47 -6.855 1.312 1.312 337 2HG ARG 47 1HG ARG 47 -5.950 -0.118 -0.118 338 1HD ARG 47 2HD ARG 47 -8.084 -0.715 -0.715 339 2HD ARG 47 1HD ARG 47 -8.015 -1.225 -1.225 340 HE ARG 47 HE ARG 47 -9.209 1.249 1.249 341 1HH1 ARG 47 2HH1 ARG 47 -9.868 -1.833 -1.833 342 2HH1 ARG 47 1HH1 ARG 47 -11.586 -1.608 -1.608 343 1HH2 ARG 47 1HH2 ARG 47 -11.468 1.546 1.546 344 2HH2 ARG 47 2HH2 ARG 47 -12.494 0.310 0.310 345 H ILE 48 H ILE 48 -6.264 4.062 4.062 346 HA ILE 48 HA ILE 48 -5.967 4.706 4.706 347 HB ILE 48 HB ILE 48 -5.736 6.366 6.366 348 1HG1 ILE 48 2HG1 ILE 48 -4.132 6.294 6.294 349 2HG1 ILE 48 1HG1 ILE 48 -3.718 5.434 5.434 350 1HG2 ILE 48 3HG2 ILE 48 -6.448 7.431 7.431 351 2HG2 ILE 48 2HG2 ILE 48 -5.811 8.416 8.416 352 3HG2 ILE 48 1HG2 ILE 48 -7.368 7.609 7.609 353 1HD1 ILE 48 2HD1 ILE 48 -4.086 8.401 8.401 354 2HD1 ILE 48 1HD1 ILE 48 -2.560 7.667 7.667 355 3HD1 ILE 48 3HD1 ILE 48 -3.185 7.390 7.390 356 H GLN 49 H GLN 49 -7.627 6.050 6.050 357 HA GLN 49 HA GLN 49 -10.194 6.090 6.090 358 1HB GLN 49 2HB GLN 49 -11.381 5.223 5.223 359 2HB GLN 49 1HB GLN 49 -10.211 4.053 4.053 360 1HG GLN 49 2HG GLN 49 -8.670 5.167 5.167 361 2HG GLN 49 1HG GLN 49 -10.215 5.631 5.631 362 1HE2 GLN 49 2HE2 GLN 49 -11.216 2.190 2.190 363 2HE2 GLN 49 1HE2 GLN 49 -11.838 3.656 3.656 364 H GLN 50 H GLN 50 -9.946 8.319 8.319 365 HA GLN 50 HA GLN 50 -9.662 9.921 9.921 366 1HB GLN 50 2HB GLN 50 -8.779 10.276 10.276 367 2HB GLN 50 1HB GLN 50 -10.178 11.340 11.340 368 1HG GLN 50 2HG GLN 50 -9.266 12.577 12.577 369 2HG GLN 50 1HG GLN 50 -7.989 11.392 11.392 370 1HE2 GLN 50 2HE2 GLN 50 -5.933 13.579 13.579 371 2HE2 GLN 50 1HE2 GLN 50 -6.339 12.860 12.860 372 H ARG 51 H ARG 51 -11.445 10.178 10.178 373 HA ARG 51 HA ARG 51 -14.061 10.232 10.232 374 1HB ARG 51 2HB ARG 51 -13.007 9.730 9.730 375 2HB ARG 51 1HB ARG 51 -14.166 11.046 11.046 376 1HG ARG 51 2HG ARG 51 -15.392 9.081 9.081 377 2HG ARG 51 1HG ARG 51 -15.773 9.578 9.578 378 1HD ARG 51 2HD ARG 51 -14.429 7.903 7.903 379 2HD ARG 51 1HD ARG 51 -13.576 7.621 7.621 380 HE ARG 51 HE ARG 51 -16.307 7.038 7.038 381 1HH1 ARG 51 2HH1 ARG 51 -13.467 5.795 5.795 382 2HH1 ARG 51 1HH1 ARG 51 -14.006 4.150 4.150 383 1HH2 ARG 51 1HH2 ARG 51 -17.019 4.874 4.874 384 2HH2 ARG 51 2HH2 ARG 51 -16.022 3.627 3.627 385 H ASN 52 H ASN 52 -14.977 11.996 11.996 386 HA ASN 52 HA ASN 52 -15.561 14.165 14.165 387 1HB ASN 52 2HB ASN 52 -15.789 14.037 14.037 388 2HB ASN 52 1HB ASN 52 -14.284 14.950 14.950 389 1HD2 ASN 52 1HD2 ASN 52 -16.019 16.317 16.317 390 2HD2 ASN 52 2HD2 ASN 52 -16.788 17.517 17.517 391 H GLY 53 H GLY 53 -12.819 13.037 13.037 392 1HA GLY 53 2HA GLY 53 -10.971 13.807 13.807 393 2HA GLY 53 1HA GLY 53 -11.713 15.398 15.398 394 H ARG 54 H ARG 54 -11.163 13.741 13.741 395 HA ARG 54 HA ARG 54 -8.696 15.240 15.240 396 1HB ARG 54 2HB ARG 54 -10.993 15.389 15.389 397 2HB ARG 54 1HB ARG 54 -9.467 16.260 16.260 398 1HG ARG 54 2HG ARG 54 -10.393 17.087 17.087 399 2HG ARG 54 1HG ARG 54 -11.906 16.843 16.843 400 1HD ARG 54 2HD ARG 54 -11.605 18.771 18.771 401 2HD ARG 54 1HD ARG 54 -10.102 18.161 18.161 402 HE ARG 54 HE ARG 54 -9.340 18.938 18.938 403 1HH1 ARG 54 2HH1 ARG 54 -11.148 20.547 20.547 404 2HH1 ARG 54 1HH1 ARG 54 -10.606 22.128 22.128 405 1HH2 ARG 54 1HH2 ARG 54 -8.627 21.019 21.019 406 2HH2 ARG 54 2HH2 ARG 54 -9.176 22.397 22.397 407 H LYS 55 H LYS 55 -11.026 13.359 13.359 408 HA LYS 55 HA LYS 55 -9.096 12.118 12.118 409 1HB LYS 55 2HB LYS 55 -11.485 12.206 12.206 410 2HB LYS 55 1HB LYS 55 -11.846 11.107 11.107 411 1HG LYS 55 2HG LYS 55 -11.823 9.961 9.961 412 2HG LYS 55 1HG LYS 55 -10.569 9.348 9.348 413 1HD LYS 55 2HD LYS 55 -9.713 9.623 9.623 414 2HD LYS 55 1HD LYS 55 -8.906 10.726 10.726 415 1HE LYS 55 2HE LYS 55 -10.034 12.587 12.587 416 2HE LYS 55 1HE LYS 55 -11.305 11.608 11.608 417 1HZ LYS 55 1HZ LYS 55 -9.187 10.724 10.724 418 2HZ LYS 55 3HZ LYS 55 -8.684 12.311 12.311 419 3HZ LYS 55 2HZ LYS 55 -10.131 12.024 12.024 420 H THR 56 H THR 56 -7.449 11.489 11.489 421 HA THR 56 HA THR 56 -8.017 9.349 9.349 422 HB THR 56 HB THR 56 -5.208 10.017 10.017 423 HG1 THR 56 HG1 THR 56 -5.283 12.106 12.106 424 1HG2 THR 56 2HG2 THR 56 -6.850 9.261 9.261 425 2HG2 THR 56 1HG2 THR 56 -6.130 10.821 10.821 426 3HG2 THR 56 3HG2 THR 56 -5.096 9.456 9.456 427 H LEU 57 H LEU 57 -7.421 7.241 7.241 428 HA LEU 57 HA LEU 57 -5.842 6.439 6.439 429 1HB LEU 57 2HB LEU 57 -8.686 6.027 6.027 430 2HB LEU 57 1HB LEU 57 -7.844 4.492 4.492 431 HG LEU 57 HG LEU 57 -6.694 5.501 5.501 432 1HD1 LEU 57 1HD1 LEU 57 -8.821 7.498 7.498 433 2HD1 LEU 57 3HD1 LEU 57 -8.460 7.097 7.097 434 3HD1 LEU 57 2HD1 LEU 57 -7.190 7.731 7.731 435 1HD2 LEU 57 1HD2 LEU 57 -9.303 4.265 4.265 436 2HD2 LEU 57 3HD2 LEU 57 -8.015 3.884 3.884 437 3HD2 LEU 57 2HD2 LEU 57 -9.172 5.164 5.164 438 H THR 58 H THR 58 -4.201 5.937 5.937 439 HA THR 58 HA THR 58 -4.533 4.310 4.310 440 HB THR 58 HB THR 58 -2.068 4.685 4.685 441 HG1 THR 58 HG1 THR 58 -3.219 6.567 6.567 442 1HG2 THR 58 1HG2 THR 58 -2.332 2.893 2.893 443 2HG2 THR 58 3HG2 THR 58 -1.740 4.323 4.323 444 3HG2 THR 58 2HG2 THR 58 -0.821 3.651 3.651 445 H THR 59 H THR 59 -5.219 2.279 2.279 446 HA THR 59 HA THR 59 -4.640 0.520 0.520 447 HB THR 59 HB THR 59 -6.261 -0.923 -0.923 448 HG1 THR 59 HG1 THR 59 -7.148 1.770 1.770 449 1HG2 THR 59 1HG2 THR 59 -6.496 0.259 0.259 450 2HG2 THR 59 3HG2 THR 59 -7.975 0.600 0.600 451 3HG2 THR 59 2HG2 THR 59 -7.430 -1.066 -1.066 452 H VAL 60 H VAL 60 -4.192 -1.808 -1.808 453 HA VAL 60 HA VAL 60 -2.593 -2.054 -2.054 454 HB VAL 60 HB VAL 60 -1.651 -2.989 -2.989 455 1HG1 VAL 60 1HG1 VAL 60 -0.497 -3.207 -3.207 456 2HG1 VAL 60 3HG1 VAL 60 0.500 -3.348 -3.348 457 3HG1 VAL 60 2HG1 VAL 60 -0.807 -4.496 -4.496 458 1HG2 VAL 60 1HG2 VAL 60 -1.078 -0.562 -0.562 459 2HG2 VAL 60 3HG2 VAL 60 -1.268 -0.730 -0.730 460 3HG2 VAL 60 2HG2 VAL 60 0.218 -1.273 -1.273 461 H GLN 61 H GLN 61 -2.956 -3.874 -3.874 462 HA GLN 61 HA GLN 61 -4.192 -6.139 -6.139 463 1HB GLN 61 2HB GLN 61 -4.917 -6.071 -6.071 464 2HB GLN 61 1HB GLN 61 -5.948 -6.191 -6.191 465 1HG GLN 61 2HG GLN 61 -6.055 -3.822 -3.822 466 2HG GLN 61 1HG GLN 61 -4.822 -3.603 -3.603 467 1HE2 GLN 61 2HE2 GLN 61 -8.297 -5.150 -5.150 468 2HE2 GLN 61 1HE2 GLN 61 -7.479 -5.897 -5.897 469 H GLY 62 H GLY 62 -3.473 -8.159 -8.159 470 1HA GLY 62 2HA GLY 62 -2.378 -9.632 -9.632 471 2HA GLY 62 1HA GLY 62 -1.327 -8.281 -8.281 472 H ILE 63 H ILE 63 -1.198 -7.583 -7.583 473 HA ILE 63 HA ILE 63 1.173 -9.033 -9.033 474 HB ILE 63 HB ILE 63 -0.474 -7.050 -7.050 475 1HG1 ILE 63 2HG1 ILE 63 0.725 -5.820 -5.820 476 2HG1 ILE 63 1HG1 ILE 63 1.883 -5.866 -5.866 477 1HG2 ILE 63 1HG2 ILE 63 1.529 -8.874 -8.874 478 2HG2 ILE 63 3HG2 ILE 63 1.911 -7.183 -7.183 479 3HG2 ILE 63 2HG2 ILE 63 0.373 -7.854 -7.854 480 1HD1 ILE 63 2HD1 ILE 63 2.764 -7.983 -7.983 481 2HD1 ILE 63 1HD1 ILE 63 1.932 -7.273 -7.273 482 3HD1 ILE 63 3HD1 ILE 63 3.205 -6.370 -6.370 483 H ALA 64 H ALA 64 1.575 -10.507 -10.507 484 HA ALA 64 HA ALA 64 -0.712 -12.195 -12.195 485 1HB ALA 64 1HB ALA 64 1.584 -12.967 -12.967 486 2HB ALA 64 3HB ALA 64 2.102 -12.862 -12.862 487 3HB ALA 64 2HB ALA 64 0.776 -13.934 -13.934 488 H ASP 65 H ASP 65 -1.609 -12.363 -12.363 489 HA ASP 65 HA ASP 65 -1.049 -10.565 -10.565 490 1HB ASP 65 2HB ASP 65 -2.469 -12.123 -12.123 491 2HB ASP 65 1HB ASP 65 -3.220 -11.548 -11.548 492 H ASP 66 H ASP 66 0.414 -13.562 -13.562 493 HA ASP 66 HA ASP 66 1.423 -14.377 -14.377 494 1HB ASP 66 2HB ASP 66 1.419 -15.616 -15.616 495 2HB ASP 66 1HB ASP 66 2.925 -14.755 -14.755 496 H TYR 67 H TYR 67 2.290 -11.755 -11.755 497 HA TYR 67 HA TYR 67 4.967 -11.355 -11.355 498 1HB TYR 67 2HB TYR 67 2.737 -9.341 -9.341 499 2HB TYR 67 1HB TYR 67 4.436 -8.897 -8.897 500 HD1 TYR 67 HD1 TYR 67 4.042 -12.036 -12.036 501 HD2 TYR 67 HD2 TYR 67 3.690 -7.842 -7.842 502 HE1 TYR 67 HE1 TYR 67 4.220 -12.378 -12.378 503 HE2 TYR 67 HE2 TYR 67 3.866 -8.167 -8.167 504 HH TYR 67 HH TYR 67 3.554 -9.883 -9.883 505 H ASP 68 H ASP 68 5.630 -9.237 -9.237 506 HA ASP 68 HA ASP 68 5.672 -9.963 -9.963 507 1HB ASP 68 2HB ASP 68 6.161 -7.387 -7.387 508 2HB ASP 68 1HB ASP 68 6.112 -7.381 -7.381 509 H LYS 69 H LYS 69 3.209 -8.256 -8.256 510 HA LYS 69 HA LYS 69 1.143 -7.511 -7.511 511 1HB LYS 69 2HB LYS 69 0.798 -9.732 -9.732 512 2HB LYS 69 1HB LYS 69 1.616 -9.301 -9.301 513 1HG LYS 69 2HG LYS 69 -0.308 -8.660 -8.660 514 2HG LYS 69 1HG LYS 69 -0.504 -7.457 -7.457 515 1HD LYS 69 2HD LYS 69 -2.431 -8.841 -8.841 516 2HD LYS 69 1HD LYS 69 -1.429 -9.306 -9.306 517 1HE LYS 69 2HE LYS 69 -1.129 -11.381 -11.381 518 2HE LYS 69 1HE LYS 69 -0.824 -10.811 -10.811 519 1HZ LYS 69 1HZ LYS 69 -3.415 -10.391 -10.391 520 2HZ LYS 69 3HZ LYS 69 -3.326 -11.658 -11.658 521 3HZ LYS 69 2HZ LYS 69 -2.771 -11.884 -11.884 522 H LYS 70 H LYS 70 2.312 -7.769 -7.769 523 HA LYS 70 HA LYS 70 1.445 -5.237 -5.237 524 1HB LYS 70 2HB LYS 70 3.504 -7.127 -7.127 525 2HB LYS 70 1HB LYS 70 3.210 -5.564 -5.564 526 1HG LYS 70 2HG LYS 70 1.767 -6.792 -6.792 527 2HG LYS 70 1HG LYS 70 0.695 -6.425 -6.425 528 1HD LYS 70 2HD LYS 70 0.731 -8.556 -8.556 529 2HD LYS 70 1HD LYS 70 2.400 -8.826 -8.826 530 1HE LYS 70 2HE LYS 70 1.356 -10.167 -10.167 531 2HE LYS 70 1HE LYS 70 1.297 -8.650 -8.650 532 1HZ LYS 70 1HZ LYS 70 -0.905 -9.520 -9.520 533 2HZ LYS 70 3HZ LYS 70 -0.837 -9.958 -9.958 534 3HZ LYS 70 2HZ LYS 70 -0.939 -8.327 -8.327 535 H LYS 71 H LYS 71 4.708 -6.321 -6.321 536 HA LYS 71 HA LYS 71 5.802 -3.676 -3.676 537 1HB LYS 71 2HB LYS 71 6.835 -6.264 -6.264 538 2HB LYS 71 1HB LYS 71 7.332 -5.572 -5.572 539 1HG LYS 71 2HG LYS 71 7.770 -4.166 -4.166 540 2HG LYS 71 1HG LYS 71 8.931 -5.311 -5.311 541 1HD LYS 71 2HD LYS 71 8.132 -3.425 -3.425 542 2HD LYS 71 1HD LYS 71 8.679 -2.568 -2.568 543 1HE LYS 71 2HE LYS 71 10.576 -4.503 -4.503 544 2HE LYS 71 1HE LYS 71 10.188 -4.199 -4.199 545 1HZ LYS 71 1HZ LYS 71 10.912 -2.085 -2.085 546 2HZ LYS 71 3HZ LYS 71 12.000 -2.792 -2.792 547 3HZ LYS 71 2HZ LYS 71 10.692 -1.892 -1.892 548 H LEU 72 H LEU 72 4.145 -5.560 -5.560 549 HA LEU 72 HA LEU 72 5.120 -4.566 -4.566 550 1HB LEU 72 2HB LEU 72 3.125 -6.258 -6.258 551 2HB LEU 72 1HB LEU 72 2.185 -4.867 -4.867 552 HG LEU 72 HG LEU 72 2.546 -6.548 -6.548 553 1HD1 LEU 72 1HD1 LEU 72 2.400 -3.897 -3.897 554 2HD1 LEU 72 3HD1 LEU 72 3.991 -4.139 -4.139 555 3HD1 LEU 72 2HD1 LEU 72 2.583 -4.953 -4.953 556 1HD2 LEU 72 1HD2 LEU 72 4.897 -7.081 -7.081 557 2HD2 LEU 72 3HD2 LEU 72 4.665 -6.928 -6.928 558 3HD2 LEU 72 2HD2 LEU 72 5.400 -5.609 -5.609 559 H VAL 73 H VAL 73 2.257 -3.348 -3.348 560 HA VAL 73 HA VAL 73 2.326 -0.894 -0.894 561 HB VAL 73 HB VAL 73 0.178 -1.999 -1.999 562 1HG1 VAL 73 1HG1 VAL 73 0.895 -2.692 -2.692 563 2HG1 VAL 73 3HG1 VAL 73 0.655 -1.019 -1.019 564 3HG1 VAL 73 2HG1 VAL 73 -0.709 -1.965 -1.965 565 1HG2 VAL 73 1HG2 VAL 73 0.702 0.621 0.621 566 2HG2 VAL 73 3HG2 VAL 73 -0.922 -0.027 -0.027 567 3HG2 VAL 73 2HG2 VAL 73 -0.018 0.602 0.602 568 H LYS 74 H LYS 74 2.999 -1.945 -1.945 569 HA LYS 74 HA LYS 74 3.198 0.511 0.511 570 1HB LYS 74 2HB LYS 74 3.342 -1.608 -1.608 571 2HB LYS 74 1HB LYS 74 4.884 -1.959 -1.959 572 1HG LYS 74 2HG LYS 74 5.977 -0.852 -0.852 573 2HG LYS 74 1HG LYS 74 5.009 0.596 0.596 574 1HD LYS 74 2HD LYS 74 4.731 -0.036 -0.036 575 2HD LYS 74 1HD LYS 74 3.229 -0.406 -0.406 576 1HE LYS 74 2HE LYS 74 5.034 -2.651 -2.651 577 2HE LYS 74 1HE LYS 74 4.769 -2.133 -2.133 578 1HZ LYS 74 1HZ LYS 74 2.417 -2.350 -2.350 579 2HZ LYS 74 3HZ LYS 74 3.151 -3.798 -3.798 580 3HZ LYS 74 2HZ LYS 74 2.597 -2.709 -2.709 581 H ALA 75 H ALA 75 5.634 -1.230 -1.230 582 HA ALA 75 HA ALA 75 7.759 0.563 0.563 583 1HB ALA 75 2HB ALA 75 7.139 -1.452 -1.452 584 2HB ALA 75 1HB ALA 75 8.550 -0.402 -0.402 585 3HB ALA 75 3HB ALA 75 8.389 -1.494 -1.494 586 H PHE 76 H PHE 76 5.010 0.611 0.611 587 HA PHE 76 HA PHE 76 5.906 2.538 2.538 588 1HB PHE 76 2HB PHE 76 3.757 1.035 1.035 589 2HB PHE 76 1HB PHE 76 3.031 2.409 2.409 590 HD1 PHE 76 HD1 PHE 76 4.561 1.252 1.252 591 HD2 PHE 76 HD2 PHE 76 2.576 4.453 4.453 592 HE1 PHE 76 HE1 PHE 76 4.221 2.370 2.370 593 HE2 PHE 76 HE2 PHE 76 2.230 5.576 5.576 594 HZ PHE 76 HZ PHE 76 3.052 4.536 4.536 595 H LYS 77 H LYS 77 4.197 2.844 2.844 596 HA LYS 77 HA LYS 77 3.960 5.681 5.681 597 1HB LYS 77 2HB LYS 77 3.688 3.696 3.696 598 2HB LYS 77 1HB LYS 77 3.491 5.425 5.425 599 1HG LYS 77 2HG LYS 77 1.561 5.511 5.511 600 2HG LYS 77 1HG LYS 77 1.901 3.962 3.962 601 1HD LYS 77 2HD LYS 77 1.374 4.194 4.194 602 2HD LYS 77 1HD LYS 77 0.068 4.009 4.009 603 1HE LYS 77 2HE LYS 77 1.667 2.019 2.019 604 2HE LYS 77 1HE LYS 77 2.114 2.069 2.069 605 1HZ LYS 77 2HZ LYS 77 -0.643 2.203 2.203 606 2HZ LYS 77 1HZ LYS 77 -0.225 1.013 1.013 607 3HZ LYS 77 3HZ LYS 77 0.303 0.884 0.884 608 H LYS 78 H LYS 78 6.615 3.694 3.694 609 HA LYS 78 HA LYS 78 7.991 5.655 5.655 610 1HB LYS 78 2HB LYS 78 8.063 3.246 3.246 611 2HB LYS 78 1HB LYS 78 8.918 2.912 2.912 612 1HG LYS 78 2HG LYS 78 10.541 3.029 3.029 613 2HG LYS 78 1HG LYS 78 10.694 4.506 4.506 614 1HD LYS 78 2HD LYS 78 9.060 5.495 5.495 615 2HD LYS 78 1HD LYS 78 9.600 4.134 4.134 616 1HE LYS 78 2HE LYS 78 11.255 5.514 5.514 617 2HE LYS 78 1HE LYS 78 11.965 5.096 5.096 618 1HZ LYS 78 1HZ LYS 78 10.059 7.321 7.321 619 2HZ LYS 78 3HZ LYS 78 11.630 7.575 7.575 620 3HZ LYS 78 2HZ LYS 78 11.382 7.094 7.094 621 H LYS 79 H LYS 79 7.756 4.554 4.554 622 HA LYS 79 HA LYS 79 10.330 5.748 5.748 623 1HB LYS 79 2HB LYS 79 9.705 3.473 3.473 624 2HB LYS 79 1HB LYS 79 8.415 4.235 4.235 625 1HG LYS 79 2HG LYS 79 9.971 5.442 5.442 626 2HG LYS 79 1HG LYS 79 11.317 4.967 4.967 627 1HD LYS 79 2HD LYS 79 11.135 2.684 2.684 628 2HD LYS 79 1HD LYS 79 9.629 3.011 3.011 629 1HE LYS 79 2HE LYS 79 11.198 2.968 2.968 630 2HE LYS 79 1HE LYS 79 11.046 4.690 4.690 631 1HZ LYS 79 3HZ LYS 79 13.013 4.143 4.143 632 2HZ LYS 79 2HZ LYS 79 13.277 2.876 2.876 633 3HZ LYS 79 1HZ LYS 79 13.296 4.475 4.475 634 H PHE 80 H PHE 80 6.886 5.942 5.942 635 HA PHE 80 HA PHE 80 7.427 8.545 8.545 636 1HB PHE 80 2HB PHE 80 4.860 7.045 7.045 637 2HB PHE 80 1HB PHE 80 5.634 8.208 8.208 638 HD1 PHE 80 HD2 PHE 80 5.739 4.739 4.739 639 HD2 PHE 80 HD1 PHE 80 7.193 7.519 7.519 640 HE1 PHE 80 HE2 PHE 80 6.704 2.884 2.884 641 HE2 PHE 80 HE1 PHE 80 8.161 5.670 5.670 642 HZ PHE 80 HZ PHE 80 7.917 3.350 3.350 643 H ALA 81 H ALA 81 6.035 7.108 7.108 644 HA ALA 81 HA ALA 81 4.813 7.927 7.927 645 1HB ALA 81 1HB ALA 81 5.940 10.372 10.372 646 2HB ALA 81 3HB ALA 81 4.636 10.577 10.577 647 3HB ALA 81 2HB ALA 81 6.119 9.746 9.746 648 H CYS 82 H CYS 82 3.351 6.930 6.930 649 HA CYS 82 HA CYS 82 1.088 8.805 8.805 650 1HB CYS 82 2HB CYS 82 1.750 6.500 6.500 651 2HB CYS 82 1HB CYS 82 0.452 7.671 7.671 652 HG CYS 82 HG CYS 82 2.041 9.031 9.031 653 H ASN 83 H ASN 83 -0.872 8.184 8.184 654 HA ASN 83 HA ASN 83 -1.122 6.097 6.097 655 1HB ASN 83 2HB ASN 83 -2.671 8.244 8.244 656 2HB ASN 83 1HB ASN 83 -3.644 6.868 6.868 657 1HD2 ASN 83 2HD2 ASN 83 -2.667 7.020 7.020 658 2HD2 ASN 83 1HD2 ASN 83 -1.486 7.378 7.378 659 H GLY 84 H GLY 84 -0.545 4.103 4.103 660 1HA GLY 84 2HA GLY 84 -2.009 3.071 3.071 661 2HA GLY 84 1HA GLY 84 -0.516 2.404 2.404 662 H THR 85 H THR 85 -3.377 1.391 1.391 663 HA THR 85 HA THR 85 -3.601 -0.035 -0.035 664 HB THR 85 HB THR 85 -6.037 0.042 0.042 665 HG1 THR 85 HG1 THR 85 -6.477 0.216 0.216 666 1HG2 THR 85 2HG2 THR 85 -4.607 2.046 2.046 667 2HG2 THR 85 1HG2 THR 85 -5.360 2.895 2.895 668 3HG2 THR 85 3HG2 THR 85 -6.364 2.134 2.134 669 H VAL 86 H VAL 86 -4.691 -2.126 -2.126 670 HA VAL 86 HA VAL 86 -4.342 -3.331 -3.331 671 HB VAL 86 HB VAL 86 -2.722 -4.172 -4.172 672 1HG1 VAL 86 3HG1 VAL 86 -4.736 -3.925 -3.925 673 2HG1 VAL 86 2HG1 VAL 86 -4.607 -5.670 -5.670 674 3HG1 VAL 86 1HG1 VAL 86 -3.191 -4.732 -4.732 675 1HG2 VAL 86 3HG2 VAL 86 -4.264 -5.664 -5.664 676 2HG2 VAL 86 2HG2 VAL 86 -2.834 -6.250 -6.250 677 3HG2 VAL 86 1HG2 VAL 86 -4.438 -6.539 -6.539 678 H ILE 87 H ILE 87 -6.544 -2.820 -2.820 679 HA ILE 87 HA ILE 87 -8.639 -4.095 -4.095 680 HB ILE 87 HB ILE 87 -10.209 -3.028 -3.028 681 1HG1 ILE 87 2HG1 ILE 87 -7.985 -1.501 -1.501 682 2HG1 ILE 87 1HG1 ILE 87 -8.348 -3.114 -3.114 683 1HG2 ILE 87 1HG2 ILE 87 -8.111 -1.168 -1.168 684 2HG2 ILE 87 3HG2 ILE 87 -9.733 -0.692 -0.692 685 3HG2 ILE 87 2HG2 ILE 87 -9.521 -1.795 -1.795 686 1HD1 ILE 87 2HD1 ILE 87 -10.820 -2.065 -2.065 687 2HD1 ILE 87 1HD1 ILE 87 -9.866 -0.611 -0.611 688 3HD1 ILE 87 3HD1 ILE 87 -9.741 -1.985 -1.985 689 H GLU 88 H GLU 88 -10.223 -5.485 -5.485 690 HA GLU 88 HA GLU 88 -9.104 -7.135 -7.135 691 1HB GLU 88 2HB GLU 88 -9.509 -8.147 -8.147 692 2HB GLU 88 1HB GLU 88 -11.222 -8.024 -8.024 693 1HG GLU 88 2HG GLU 88 -10.789 -9.386 -9.386 694 2HG GLU 88 1HG GLU 88 -9.141 -9.622 -9.622 695 H HIS 89 H HIS 89 -10.035 -5.468 -5.468 696 HA HIS 89 HA HIS 89 -12.682 -4.780 -4.780 697 1HB HIS 89 2HB HIS 89 -10.500 -4.176 -4.176 698 2HB HIS 89 1HB HIS 89 -11.211 -5.339 -5.339 699 HD1 HIS 89 HD1 HIS 89 -12.955 -4.466 -4.466 700 HD2 HIS 89 HD2 HIS 89 -12.326 -1.954 -1.954 701 HE1 HIS 89 HE1 HIS 89 -14.362 -2.430 -2.430 702 HE2 HIS 89 HE2 HIS 89 -13.911 -0.892 -0.892 703 HA PRO 90 HA PRO 90 -14.629 -8.646 -8.646 704 1HB PRO 90 2HB PRO 90 -17.108 -7.716 -7.716 705 2HB PRO 90 1HB PRO 90 -16.448 -7.802 -7.802 706 1HG PRO 90 2HG PRO 90 -16.659 -5.447 -5.447 707 2HG PRO 90 1HG PRO 90 -17.000 -5.545 -5.545 708 1HD PRO 90 2HD PRO 90 -14.673 -4.550 -4.550 709 2HD PRO 90 1HD PRO 90 -14.789 -5.323 -5.323 710 H GLU 91 H GLU 91 -14.265 -5.935 -5.935 711 HA GLU 91 HA GLU 91 -15.453 -7.201 -7.201 712 1HB GLU 91 2HB GLU 91 -14.935 -4.580 -4.580 713 2HB GLU 91 1HB GLU 91 -13.751 -4.895 -4.895 714 1HG GLU 91 2HG GLU 91 -16.687 -5.442 -5.442 715 2HG GLU 91 1HG GLU 91 -15.925 -3.913 -3.913 716 H TYR 92 H TYR 92 -12.342 -6.971 -6.971 717 HA TYR 92 HA TYR 92 -11.162 -8.363 -8.363 718 1HB TYR 92 2HB TYR 92 -9.440 -6.730 -6.730 719 2HB TYR 92 1HB TYR 92 -9.206 -7.134 -7.134 720 HD1 TYR 92 HD2 TYR 92 -11.555 -6.219 -6.219 721 HD2 TYR 92 HD1 TYR 92 -9.526 -4.436 -4.436 722 HE1 TYR 92 HE2 TYR 92 -12.451 -4.024 -4.024 723 HE2 TYR 92 HE1 TYR 92 -10.417 -2.235 -2.235 724 HH TYR 92 HH TYR 92 -12.903 -1.696 -1.696 725 H GLY 93 H GLY 93 -10.717 -7.761 -7.761 726 1HA GLY 93 2HA GLY 93 -10.927 -10.072 -10.072 727 2HA GLY 93 1HA GLY 93 -9.478 -10.411 -10.411 728 H GLU 94 H GLU 94 -7.536 -9.739 -9.739 729 HA GLU 94 HA GLU 94 -7.567 -8.186 -8.186 730 1HB GLU 94 2HB GLU 94 -6.675 -10.655 -10.655 731 2HB GLU 94 1HB GLU 94 -5.241 -9.885 -9.885 732 1HG GLU 94 2HG GLU 94 -6.426 -8.969 -8.969 733 2HG GLU 94 1HG GLU 94 -5.334 -10.352 -10.352 734 H VAL 95 H VAL 95 -7.469 -6.159 -6.159 735 HA VAL 95 HA VAL 95 -4.918 -5.612 -5.612 736 HB VAL 95 HB VAL 95 -6.043 -3.720 -3.720 737 1HG1 VAL 95 3HG1 VAL 95 -7.005 -6.521 -6.521 738 2HG1 VAL 95 2HG1 VAL 95 -7.686 -5.226 -5.226 739 3HG1 VAL 95 1HG1 VAL 95 -5.951 -5.545 -5.545 740 1HG2 VAL 95 1HG2 VAL 95 -8.013 -4.127 -4.127 741 2HG2 VAL 95 3HG2 VAL 95 -8.045 -2.970 -2.970 742 3HG2 VAL 95 2HG2 VAL 95 -8.766 -4.566 -4.566 743 H ILE 96 H ILE 96 -3.643 -4.018 -4.018 744 HA ILE 96 HA ILE 96 -4.191 -2.941 -2.941 745 HB ILE 96 HB ILE 96 -1.909 -2.725 -2.725 746 1HG1 ILE 96 2HG1 ILE 96 -2.461 -4.550 -4.550 747 2HG1 ILE 96 1HG1 ILE 96 -0.811 -4.090 -4.090 748 1HG2 ILE 96 3HG2 ILE 96 -2.440 -0.905 -0.905 749 2HG2 ILE 96 2HG2 ILE 96 -0.786 -1.337 -1.337 750 3HG2 ILE 96 1HG2 ILE 96 -1.818 -0.525 -0.525 751 1HD1 ILE 96 1HD1 ILE 96 -2.172 -2.553 -2.553 752 2HD1 ILE 96 3HD1 ILE 96 -1.694 -4.213 -4.213 753 3HD1 ILE 96 2HD1 ILE 96 -0.484 -3.038 -3.038 754 H GLN 97 H GLN 97 -4.399 -0.717 -0.717 755 HA GLN 97 HA GLN 97 -5.292 0.981 0.981 756 1HB GLN 97 2HB GLN 97 -6.813 0.042 0.042 757 2HB GLN 97 1HB GLN 97 -6.548 1.757 1.757 758 1HG GLN 97 2HG GLN 97 -7.367 2.129 2.129 759 2HG GLN 97 1HG GLN 97 -7.874 0.439 0.439 760 1HE2 GLN 97 2HE2 GLN 97 -10.852 2.246 2.246 761 2HE2 GLN 97 1HE2 GLN 97 -9.875 1.931 1.931 762 H LEU 98 H LEU 98 -3.754 2.462 2.462 763 HA LEU 98 HA LEU 98 -2.392 3.597 3.597 764 1HB LEU 98 2HB LEU 98 -1.911 3.817 3.817 765 2HB LEU 98 1HB LEU 98 -1.028 4.762 4.762 766 HG LEU 98 HG LEU 98 -1.058 1.748 1.748 767 1HD1 LEU 98 1HD1 LEU 98 0.615 3.733 3.733 768 2HD1 LEU 98 3HD1 LEU 98 1.415 2.316 2.316 769 3HD1 LEU 98 2HD1 LEU 98 0.105 2.116 2.116 770 1HD2 LEU 98 1HD2 LEU 98 0.269 3.834 3.834 771 2HD2 LEU 98 3HD2 LEU 98 -0.412 2.277 2.277 772 3HD2 LEU 98 2HD2 LEU 98 1.147 2.344 2.344 773 H GLN 99 H GLN 99 -2.170 5.936 5.936 774 HA GLN 99 HA GLN 99 -4.664 7.266 7.266 775 1HB GLN 99 2HB GLN 99 -3.009 7.324 7.324 776 2HB GLN 99 1HB GLN 99 -3.015 8.939 8.939 777 1HG GLN 99 2HG GLN 99 -5.599 7.504 7.504 778 2HG GLN 99 1HG GLN 99 -4.816 8.215 8.215 779 1HE2 GLN 99 2HE2 GLN 99 -7.184 10.591 10.591 780 2HE2 GLN 99 1HE2 GLN 99 -7.327 8.929 8.929 781 H GLY 100 H GLY 100 -4.773 8.894 8.894 782 1HA GLY 100 2HA GLY 100 -4.048 10.688 10.688 783 2HA GLY 100 1HA GLY 100 -2.415 10.426 10.426 784 H ASP 101 H ASP 101 -2.539 10.990 10.990 785 HA ASP 101 HA ASP 101 -2.873 8.649 8.649 786 1HB ASP 101 2HB ASP 101 -1.423 11.128 11.128 787 2HB ASP 101 1HB ASP 101 -2.404 10.018 10.018 788 H GLN 102 H GLN 102 -1.407 7.306 7.306 789 HA GLN 102 HA GLN 102 1.430 7.854 7.854 790 1HB GLN 102 2HB GLN 102 -0.293 5.993 5.993 791 2HB GLN 102 1HB GLN 102 1.273 5.349 5.349 792 1HG GLN 102 2HG GLN 102 1.086 6.449 6.449 793 2HG GLN 102 1HG GLN 102 2.435 6.934 6.934 794 1HE2 GLN 102 2HE2 GLN 102 -0.660 9.596 9.596 795 2HE2 GLN 102 1HE2 GLN 102 -0.941 7.919 7.919 796 H ARG 103 H ARG 103 -0.652 6.904 6.904 797 HA ARG 103 HA ARG 103 -0.022 4.457 4.457 798 1HB ARG 103 2HB ARG 103 -0.536 5.370 5.370 799 2HB ARG 103 1HB ARG 103 -1.684 5.921 5.921 800 1HG ARG 103 2HG ARG 103 -1.180 8.057 8.057 801 2HG ARG 103 1HG ARG 103 0.555 7.742 7.742 802 1HD ARG 103 2HD ARG 103 0.545 8.225 8.225 803 2HD ARG 103 1HD ARG 103 -0.174 6.630 6.630 804 HE ARG 103 HE ARG 103 -2.311 8.229 8.229 805 1HH1 ARG 103 2HH1 ARG 103 0.342 8.369 8.369 806 2HH1 ARG 103 1HH1 ARG 103 -0.575 9.191 9.191 807 1HH2 ARG 103 1HH2 ARG 103 -3.519 9.311 9.311 808 2HH2 ARG 103 2HH2 ARG 103 -2.767 9.728 9.728 809 H LYS 104 H LYS 104 1.988 7.299 7.299 810 HA LYS 104 HA LYS 104 3.980 6.028 6.028 811 1HB LYS 104 2HB LYS 104 3.265 8.480 8.480 812 2HB LYS 104 1HB LYS 104 4.189 8.762 8.762 813 1HG LYS 104 2HG LYS 104 5.948 7.362 7.362 814 2HG LYS 104 1HG LYS 104 5.095 8.404 8.404 815 1HD LYS 104 2HD LYS 104 6.819 9.780 9.780 816 2HD LYS 104 1HD LYS 104 5.548 10.248 10.248 817 1HE LYS 104 2HE LYS 104 7.284 9.958 9.958 818 2HE LYS 104 1HE LYS 104 6.608 8.329 8.329 819 1HZ LYS 104 3HZ LYS 104 8.265 7.716 7.716 820 2HZ LYS 104 2HZ LYS 104 8.940 9.263 9.263 821 3HZ LYS 104 1HZ LYS 104 8.985 8.234 8.234 822 H ASN 105 H ASN 105 3.325 6.708 6.708 823 HA ASN 105 HA ASN 105 6.088 6.334 6.334 824 1HB ASN 105 2HB ASN 105 3.531 7.025 7.025 825 2HB ASN 105 1HB ASN 105 4.844 6.343 6.343 826 1HD2 ASN 105 2HD2 ASN 105 4.875 10.191 10.191 827 2HD2 ASN 105 1HD2 ASN 105 3.534 9.130 9.130 828 H ILE 106 H ILE 106 3.077 4.508 4.508 829 HA ILE 106 HA ILE 106 3.956 2.376 2.376 830 HB ILE 106 HB ILE 106 1.584 2.759 2.759 831 1HG1 ILE 106 2HG1 ILE 106 0.953 0.415 0.415 832 2HG1 ILE 106 1HG1 ILE 106 2.565 0.059 0.059 833 1HG2 ILE 106 1HG2 ILE 106 1.839 3.414 3.414 834 2HG2 ILE 106 3HG2 ILE 106 2.197 1.740 1.740 835 3HG2 ILE 106 2HG2 ILE 106 0.612 2.171 2.171 836 1HD1 ILE 106 3HD1 ILE 106 2.543 1.294 1.294 837 2HD1 ILE 106 2HD1 ILE 106 1.754 -0.281 -0.281 838 3HD1 ILE 106 1HD1 ILE 106 3.430 -0.107 -0.107 839 H CYS 107 H CYS 107 3.907 2.780 2.780 840 HA CYS 107 HA CYS 107 4.969 0.289 0.289 841 1HB CYS 107 2HB CYS 107 4.997 2.996 2.996 842 2HB CYS 107 1HB CYS 107 5.994 1.714 1.714 843 HG CYS 107 HG CYS 107 3.119 0.829 0.829 844 H GLN 108 H GLN 108 6.421 3.186 3.186 845 HA GLN 108 HA GLN 108 9.149 2.520 2.520 846 1HB GLN 108 2HB GLN 108 7.653 4.517 4.517 847 2HB GLN 108 1HB GLN 108 9.305 4.179 4.179 848 1HG GLN 108 2HG GLN 108 8.413 5.117 5.117 849 2HG GLN 108 1HG GLN 108 9.174 6.104 6.104 850 1HE2 GLN 108 2HE2 GLN 108 12.261 4.047 4.047 851 2HE2 GLN 108 1HE2 GLN 108 11.100 4.261 4.261 852 H PHE 109 H PHE 109 6.939 2.177 2.177 853 HA PHE 109 HA PHE 109 8.725 1.110 1.110 854 1HB PHE 109 2HB PHE 109 6.450 1.991 1.991 855 2HB PHE 109 1HB PHE 109 5.761 0.561 0.561 856 HD1 PHE 109 HD2 PHE 109 8.212 1.478 1.478 857 HD2 PHE 109 HD1 PHE 109 5.173 -1.198 -1.198 858 HE1 PHE 109 HE2 PHE 109 8.327 0.301 0.301 859 HE2 PHE 109 HE1 PHE 109 5.281 -2.380 -2.380 860 HZ PHE 109 HZ PHE 109 6.860 -1.627 -1.627 861 H LEU 110 H LEU 110 6.370 -0.594 -0.594 862 HA LEU 110 HA LEU 110 7.010 -3.190 -3.190 863 1HB LEU 110 2HB LEU 110 5.923 -1.929 -1.929 864 2HB LEU 110 1HB LEU 110 6.333 -3.632 -3.632 865 HG LEU 110 HG LEU 110 4.697 -4.151 -4.151 866 1HD1 LEU 110 3HD1 LEU 110 4.392 -1.180 -1.180 867 2HD1 LEU 110 2HD1 LEU 110 3.358 -2.410 -2.410 868 3HD1 LEU 110 1HD1 LEU 110 5.069 -2.337 -2.337 869 1HD2 LEU 110 2HD2 LEU 110 3.992 -3.396 -3.396 870 2HD2 LEU 110 1HD2 LEU 110 2.772 -3.738 -3.738 871 3HD2 LEU 110 3HD2 LEU 110 3.219 -2.070 -2.070 872 H VAL 111 H VAL 111 8.720 -0.970 -0.970 873 HA VAL 111 HA VAL 111 10.512 -3.059 -3.059 874 HB VAL 111 HB VAL 111 10.431 -0.101 -0.101 875 1HG1 VAL 111 3HG1 VAL 111 12.289 -2.278 -2.278 876 2HG1 VAL 111 2HG1 VAL 111 11.852 -1.061 -1.061 877 3HG1 VAL 111 1HG1 VAL 111 12.614 -0.573 -0.573 878 1HG2 VAL 111 3HG2 VAL 111 8.593 -1.836 -1.836 879 2HG2 VAL 111 2HG2 VAL 111 9.181 -0.557 -0.557 880 3HG2 VAL 111 1HG2 VAL 111 9.812 -2.196 -2.196 881 H GLU 112 H GLU 112 10.398 -0.485 -0.485 882 HA GLU 112 HA GLU 112 13.230 -0.318 -0.318 883 1HB GLU 112 2HB GLU 112 10.842 0.708 0.708 884 2HB GLU 112 1HB GLU 112 12.480 0.905 0.905 885 1HG GLU 112 2HG GLU 112 12.198 1.751 1.751 886 2HG GLU 112 1HG GLU 112 11.136 2.629 2.629 887 H ILE 113 H ILE 113 10.530 -1.879 -1.879 888 HA ILE 113 HA ILE 113 12.324 -3.099 -3.099 889 HB ILE 113 HB ILE 113 10.397 -3.903 -3.903 890 1HG1 ILE 113 2HG1 ILE 113 8.822 -3.185 -3.185 891 2HG1 ILE 113 1HG1 ILE 113 9.185 -4.812 -4.812 892 1HG2 ILE 113 3HG2 ILE 113 10.864 -1.317 -1.317 893 2HG2 ILE 113 2HG2 ILE 113 9.272 -1.343 -1.343 894 3HG2 ILE 113 1HG2 ILE 113 9.468 -1.919 -1.919 895 1HD1 ILE 113 2HD1 ILE 113 7.851 -3.220 -3.220 896 2HD1 ILE 113 1HD1 ILE 113 6.911 -3.370 -3.370 897 3HD1 ILE 113 3HD1 ILE 113 7.454 -4.818 -4.818 898 H GLY 114 H GLY 114 11.185 -3.847 -3.847 899 1HA GLY 114 2HA GLY 114 11.654 -5.718 -5.718 900 2HA GLY 114 1HA GLY 114 12.331 -6.492 -6.492 901 H LEU 115 H LEU 115 9.117 -5.099 -5.099 902 HA LEU 115 HA LEU 115 7.944 -7.596 -7.596 903 1HB LEU 115 2HB LEU 115 7.352 -4.978 -4.978 904 2HB LEU 115 1HB LEU 115 6.167 -5.377 -5.377 905 HG LEU 115 HG LEU 115 5.266 -7.142 -7.142 906 1HD1 LEU 115 2HD1 LEU 115 7.773 -7.132 -7.132 907 2HD1 LEU 115 1HD1 LEU 115 6.632 -6.617 -6.617 908 3HD1 LEU 115 3HD1 LEU 115 6.386 -8.146 -8.146 909 1HD2 LEU 115 3HD2 LEU 115 4.909 -4.523 -4.523 910 2HD2 LEU 115 2HD2 LEU 115 4.049 -5.777 -5.777 911 3HD2 LEU 115 1HD2 LEU 115 5.471 -5.007 -5.007 912 H ALA 116 H ALA 116 6.820 -5.348 -5.348 913 HA ALA 116 HA ALA 116 5.759 -7.569 -7.569 914 1HB ALA 116 3HB ALA 116 4.664 -5.266 -5.266 915 2HB ALA 116 2HB ALA 116 5.782 -4.718 -4.718 916 3HB ALA 116 1HB ALA 116 4.619 -5.991 -5.991 917 H LYS 117 H LYS 117 6.110 -6.580 -6.580 918 HA LYS 117 HA LYS 117 9.024 -6.793 -6.793 919 1HB LYS 117 2HB LYS 117 6.930 -8.534 -8.534 920 2HB LYS 117 1HB LYS 117 7.805 -7.826 -7.826 921 1HG LYS 117 2HG LYS 117 8.705 -10.006 -10.006 922 2HG LYS 117 1HG LYS 117 9.881 -8.690 -8.690 923 1HD LYS 117 2HD LYS 117 8.552 -8.771 -8.771 924 2HD LYS 117 1HD LYS 117 9.082 -10.406 -10.406 925 1HE LYS 117 2HE LYS 117 10.987 -8.158 -8.158 926 2HE LYS 117 1HE LYS 117 10.672 -8.697 -8.697 927 1HZ LYS 117 2HZ LYS 117 11.089 -11.028 -11.028 928 2HZ LYS 117 1HZ LYS 117 12.063 -10.056 -10.056 929 3HZ LYS 117 3HZ LYS 117 12.335 -10.114 -10.114 930 H ASP 118 H ASP 118 9.919 -5.634 -5.634 931 HA ASP 118 HA ASP 118 8.741 -3.161 -3.161 932 1HB ASP 118 2HB ASP 118 10.530 -2.824 -2.824 933 2HB ASP 118 1HB ASP 118 11.169 -3.581 -3.581 934 H ASP 119 H ASP 119 8.591 -6.220 -6.220 935 HA ASP 119 HA ASP 119 7.318 -5.132 -5.132 936 1HB ASP 119 2HB ASP 119 8.775 -7.266 -7.266 937 2HB ASP 119 1HB ASP 119 7.324 -8.040 -8.040 938 H GLN 120 H GLN 120 6.387 -6.458 -6.458 939 HA GLN 120 HA GLN 120 3.635 -6.899 -6.899 940 1HB GLN 120 2HB GLN 120 5.024 -6.881 -6.881 941 2HB GLN 120 1HB GLN 120 3.338 -7.309 -7.309 942 1HG GLN 120 2HG GLN 120 4.062 -9.160 -9.160 943 2HG GLN 120 1HG GLN 120 5.737 -8.760 -8.760 944 1HE2 GLN 120 2HE2 GLN 120 3.419 -10.109 -10.109 945 2HE2 GLN 120 1HE2 GLN 120 2.779 -8.998 -8.998 946 H LEU 121 H LEU 121 5.447 -4.174 -4.174 947 HA LEU 121 HA LEU 121 3.867 -2.623 -2.623 948 1HB LEU 121 2HB LEU 121 5.593 -1.865 -1.865 949 2HB LEU 121 1HB LEU 121 4.808 -0.671 -0.671 950 HG LEU 121 HG LEU 121 6.691 -2.747 -2.747 951 1HD1 LEU 121 3HD1 LEU 121 7.261 -0.102 -0.102 952 2HD1 LEU 121 2HD1 LEU 121 8.256 -0.670 -0.670 953 3HD1 LEU 121 1HD1 LEU 121 8.141 -1.624 -1.624 954 1HD2 LEU 121 3HD2 LEU 121 4.933 -1.063 -1.063 955 2HD2 LEU 121 2HD2 LEU 121 6.376 -1.770 -1.770 956 3HD2 LEU 121 1HD2 LEU 121 6.438 -0.146 -0.146 957 H LYS 122 H LYS 122 1.684 -3.062 -3.062 958 HA LYS 122 HA LYS 122 0.629 -2.046 -2.046 959 1HB LYS 122 2HB LYS 122 -0.178 -4.205 -4.205 960 2HB LYS 122 1HB LYS 122 -1.502 -3.247 -3.247 961 1HG LYS 122 2HG LYS 122 0.613 -4.572 -4.572 962 2HG LYS 122 1HG LYS 122 -0.968 -5.271 -5.271 963 1HD LYS 122 2HD LYS 122 -2.029 -3.913 -3.913 964 2HD LYS 122 1HD LYS 122 -1.024 -2.522 -2.522 965 1HE LYS 122 2HE LYS 122 0.835 -3.718 -3.718 966 2HE LYS 122 1HE LYS 122 -0.442 -4.752 -4.752 967 1HZ LYS 122 3HZ LYS 122 -1.488 -2.359 -2.359 968 2HZ LYS 122 2HZ LYS 122 0.153 -1.968 -1.968 969 3HZ LYS 122 1HZ LYS 122 -0.505 -3.165 -3.165 970 H VAL 123 H VAL 123 0.950 0.154 0.154 971 HA VAL 123 HA VAL 123 -0.809 0.973 0.973 972 HB VAL 123 HB VAL 123 1.472 1.935 1.935 973 1HG1 VAL 123 2HG1 VAL 123 1.139 2.072 2.072 974 2HG1 VAL 123 1HG1 VAL 123 0.545 3.687 3.687 975 3HG1 VAL 123 3HG1 VAL 123 2.181 3.216 3.216 976 1HG2 VAL 123 1HG2 VAL 123 -0.791 3.130 3.130 977 2HG2 VAL 123 3HG2 VAL 123 0.808 3.864 3.864 978 3HG2 VAL 123 2HG2 VAL 123 -0.258 4.289 4.289 979 H HIS 124 H HIS 124 -2.861 1.463 1.463 980 HA HIS 124 HA HIS 124 -3.602 2.544 2.544 981 1HB HIS 124 2HB HIS 124 -5.282 0.902 0.902 982 2HB HIS 124 1HB HIS 124 -5.833 1.558 1.558 983 HD1 HIS 124 HD1 HIS 124 -5.310 0.231 0.231 984 HD2 HIS 124 HD2 HIS 124 -3.347 -1.207 -1.207 985 HE1 HIS 124 HE1 HIS 124 -4.287 -1.957 -1.957 986 HE2 HIS 124 HE2 HIS 124 -3.131 -2.825 -2.825 987 H GLY 125 H GLY 125 -3.126 4.687 4.687 988 1HA GLY 125 2HA GLY 125 -4.243 5.877 5.877 989 2HA GLY 125 1HA GLY 125 -3.824 6.736 6.736 990 H PHE 126 HN PHE 126 -6.282 6.110 6.110 991 HA PHE 126 HA PHE 126 -8.527 5.515 5.515 992 1HB PHE 126 2HB PHE 126 -9.707 6.212 6.212 993 2HB PHE 126 1HB PHE 126 -8.105 6.225 6.225 994 HD1 PHE 126 HD2 PHE 126 -6.825 8.456 8.456 995 HD2 PHE 126 HD1 PHE 126 -11.014 8.119 8.119 996 HE1 PHE 126 HE2 PHE 126 -7.103 10.838 10.838 997 HE2 PHE 126 HE1 PHE 126 -11.299 10.499 10.499 998 HZ PHE 126 HZ PHE 126 -9.344 11.861 11.861 Start of MODEL 13 1 1H MET 1 2H MET 1 13.992 16.691 16.691 2 2H MET 1 1H MET 1 13.657 17.590 17.590 3 3H MET 1 3H MET 1 14.018 18.407 18.407 4 HA MET 1 HA MET 1 12.041 17.620 17.620 5 1HB MET 1 2HB MET 1 11.840 18.932 18.932 6 2HB MET 1 1HB MET 1 10.426 18.709 18.709 7 1HG MET 1 2HG MET 1 11.056 20.305 20.305 8 2HG MET 1 1HG MET 1 12.775 19.975 19.975 9 1HE MET 1 2HE MET 1 14.059 20.473 20.473 10 2HE MET 1 1HE MET 1 13.899 21.990 21.990 11 3HE MET 1 3HE MET 1 14.274 22.011 22.011 12 H ARG 2 H ARG 2 11.853 16.834 16.834 13 HA ARG 2 HA ARG 2 10.839 14.185 14.185 14 1HB ARG 2 2HB ARG 2 9.259 16.086 16.086 15 2HB ARG 2 1HB ARG 2 8.841 14.418 14.418 16 1HG ARG 2 2HG ARG 2 8.783 15.144 15.144 17 2HG ARG 2 1HG ARG 2 8.805 16.798 16.798 18 1HD ARG 2 2HD ARG 2 6.846 15.168 15.168 19 2HD ARG 2 1HD ARG 2 6.574 15.176 15.176 20 HE ARG 2 HE ARG 2 7.036 17.803 17.803 21 1HH1 ARG 2 2HH1 ARG 2 4.608 15.299 15.299 22 2HH1 ARG 2 1HH1 ARG 2 3.281 16.407 16.407 23 1HH2 ARG 2 1HH2 ARG 2 5.292 19.262 19.262 24 2HH2 ARG 2 2HH2 ARG 2 3.669 18.657 18.657 25 H GLY 3 H GLY 3 13.250 15.233 15.233 26 1HA GLY 3 2HA GLY 3 12.937 14.458 14.458 27 2HA GLY 3 1HA GLY 3 14.326 15.281 15.281 28 H SER 4 H SER 4 13.920 13.104 13.104 29 HA SER 4 HA SER 4 16.061 11.482 11.482 30 1HB SER 4 2HB SER 4 15.464 10.091 10.091 31 2HB SER 4 1HB SER 4 15.230 11.788 11.788 32 HG SER 4 HG SER 4 13.045 11.533 11.533 33 H HIS 5 H HIS 5 12.737 11.274 11.274 34 HA HIS 5 HA HIS 5 12.356 8.589 8.589 35 1HB HIS 5 2HB HIS 5 10.855 10.761 10.761 36 2HB HIS 5 1HB HIS 5 11.388 10.487 10.487 37 HD1 HIS 5 HD1 HIS 5 9.367 9.517 9.517 38 HD2 HIS 5 HD2 HIS 5 10.222 7.705 7.705 39 HE1 HIS 5 HE1 HIS 5 7.755 7.597 7.597 40 HE2 HIS 5 HE2 HIS 5 8.223 6.580 6.580 41 H HIS 6 H HIS 6 14.332 10.863 10.863 42 HA HIS 6 HA HIS 6 15.127 8.695 8.695 43 1HB HIS 6 2HB HIS 6 15.518 10.401 10.401 44 2HB HIS 6 1HB HIS 6 13.829 10.322 10.322 45 HD1 HIS 6 HD1 HIS 6 16.509 12.668 12.668 46 HD2 HIS 6 HD2 HIS 6 13.169 12.486 12.486 47 HE1 HIS 6 HE1 HIS 6 16.107 15.031 15.031 48 HE2 HIS 6 HE2 HIS 6 14.125 14.884 14.884 49 H HIS 7 H HIS 7 16.669 8.433 8.433 50 HA HIS 7 HA HIS 7 18.877 10.360 10.360 51 1HB HIS 7 2HB HIS 7 17.787 9.511 9.511 52 2HB HIS 7 1HB HIS 7 18.690 8.029 8.029 53 HD1 HIS 7 HD1 HIS 7 21.379 9.100 9.100 54 HD2 HIS 7 HD2 HIS 7 19.199 10.737 10.737 55 HE1 HIS 7 HE1 HIS 7 23.062 10.296 10.296 56 HE2 HIS 7 HE2 HIS 7 21.707 11.350 11.350 57 H HIS 8 H HIS 8 19.920 9.803 9.803 58 HA HIS 8 HA HIS 8 21.387 8.689 8.689 59 1HB HIS 8 2HB HIS 8 21.947 7.709 7.709 60 2HB HIS 8 1HB HIS 8 22.438 6.591 6.591 61 HD1 HIS 8 HD1 HIS 8 24.153 8.649 8.649 62 HD2 HIS 8 HD2 HIS 8 23.614 8.776 8.776 63 HE1 HIS 8 HE1 HIS 8 26.096 9.974 9.974 64 HE2 HIS 8 HE2 HIS 8 25.794 9.965 9.965 65 H HIS 9 H HIS 9 19.360 8.022 8.022 66 HA HIS 9 HA HIS 9 18.141 6.467 6.467 67 1HB HIS 9 2HB HIS 9 20.086 4.375 4.375 68 2HB HIS 9 1HB HIS 9 19.162 4.402 4.402 69 HD1 HIS 9 HD1 HIS 9 22.321 5.584 5.584 70 HD2 HIS 9 HD2 HIS 9 20.213 6.119 6.119 71 HE1 HIS 9 HE1 HIS 9 23.941 6.665 6.665 72 HE2 HIS 9 HE2 HIS 9 22.665 6.915 6.915 73 H HIS 10 H HIS 10 17.199 4.060 4.060 74 HA HIS 10 HA HIS 10 16.223 3.971 3.971 75 1HB HIS 10 2HB HIS 10 14.068 3.155 3.155 76 2HB HIS 10 1HB HIS 10 14.459 4.762 4.762 77 HD1 HIS 10 HD1 HIS 10 14.379 5.064 5.064 78 HD2 HIS 10 HD2 HIS 10 14.607 1.060 1.060 79 HE1 HIS 10 HE1 HIS 10 14.117 3.771 3.771 80 HE2 HIS 10 HE2 HIS 10 14.174 1.349 1.349 81 H THR 11 H THR 11 15.437 1.826 1.826 82 HA THR 11 HA THR 11 16.267 -0.497 -0.497 83 HB THR 11 HB THR 11 17.680 -1.060 -1.060 84 HG1 THR 11 HG1 THR 11 19.018 0.777 0.777 85 1HG2 THR 11 3HG2 THR 11 18.287 -1.099 -1.099 86 2HG2 THR 11 2HG2 THR 11 19.196 0.344 0.344 87 3HG2 THR 11 1HG2 THR 11 19.519 -1.192 -1.192 88 H ASP 12 H ASP 12 14.638 -1.842 -1.842 89 HA ASP 12 HA ASP 12 13.565 -2.056 -2.056 90 1HB ASP 12 2HB ASP 12 12.069 -1.999 -1.999 91 2HB ASP 12 1HB ASP 12 11.353 -2.621 -2.621 92 HA PRO 13 HA PRO 13 15.338 -6.164 -6.164 93 1HB PRO 13 2HB PRO 13 15.226 -6.353 -6.353 94 2HB PRO 13 1HB PRO 13 16.513 -6.836 -6.836 95 1HG PRO 13 2HG PRO 13 16.742 -4.621 -4.621 96 2HG PRO 13 1HG PRO 13 17.316 -4.671 -4.671 97 1HD PRO 13 2HD PRO 13 14.856 -3.411 -3.411 98 2HD PRO 13 1HD PRO 13 15.904 -2.859 -2.859 99 H MET 14 H MET 14 12.710 -5.202 -5.202 100 HA MET 14 HA MET 14 11.555 -7.821 -7.821 101 1HB MET 14 2HB MET 14 10.252 -5.157 -5.157 102 2HB MET 14 1HB MET 14 9.712 -6.735 -6.735 103 1HG MET 14 2HG MET 14 11.562 -6.954 -6.954 104 2HG MET 14 1HG MET 14 12.375 -5.563 -5.563 105 1HE MET 14 1HE MET 14 12.863 -5.039 -5.039 106 2HE MET 14 3HE MET 14 11.867 -3.944 -3.944 107 3HE MET 14 2HE MET 14 11.687 -5.688 -5.688 108 H SER 15 H SER 15 11.646 -5.515 -5.515 109 HA SER 15 HA SER 15 9.057 -6.307 -6.307 110 1HB SER 15 2HB SER 15 9.510 -3.921 -3.921 111 2HB SER 15 1HB SER 15 11.032 -4.187 -4.187 112 HG SER 15 HG SER 15 9.973 -4.316 -4.316 113 H ALA 16 H ALA 16 11.404 -8.112 -8.112 114 HA ALA 16 HA ALA 16 11.150 -9.371 -9.371 115 1HB ALA 16 1HB ALA 16 13.373 -7.400 -7.400 116 2HB ALA 16 3HB ALA 16 13.659 -8.921 -8.921 117 3HB ALA 16 2HB ALA 16 12.362 -7.849 -7.849 118 H ILE 17 H ILE 17 10.914 -10.715 -10.715 119 HA ILE 17 HA ILE 17 13.521 -11.833 -11.833 120 HB ILE 17 HB ILE 17 10.895 -12.118 -12.118 121 1HG1 ILE 17 2HG1 ILE 17 13.246 -10.360 -10.360 122 2HG1 ILE 17 1HG1 ILE 17 11.790 -9.771 -9.771 123 1HG2 ILE 17 1HG2 ILE 17 13.720 -12.835 -12.835 124 2HG2 ILE 17 3HG2 ILE 17 12.338 -12.890 -12.890 125 3HG2 ILE 17 2HG2 ILE 17 12.391 -13.951 -13.951 126 1HD1 ILE 17 2HD1 ILE 17 11.289 -11.289 -11.289 127 2HD1 ILE 17 1HD1 ILE 17 12.209 -9.802 -9.802 128 3HD1 ILE 17 3HD1 ILE 17 10.626 -9.745 -9.745 129 H GLN 18 H GLN 18 14.031 -13.780 -13.780 130 HA GLN 18 HA GLN 18 11.880 -15.666 -15.666 131 1HB GLN 18 2HB GLN 18 14.253 -14.905 -14.905 132 2HB GLN 18 1HB GLN 18 13.383 -16.414 -16.414 133 1HG GLN 18 2HG GLN 18 11.506 -15.371 -15.371 134 2HG GLN 18 1HG GLN 18 11.857 -13.860 -13.860 135 1HE2 GLN 18 2HE2 GLN 18 13.303 -14.586 -14.586 136 2HE2 GLN 18 1HE2 GLN 18 12.523 -15.816 -15.816 137 H ASN 19 H ASN 19 13.593 -15.426 -15.426 138 HA ASN 19 HA ASN 19 15.040 -17.984 -17.984 139 1HB ASN 19 2HB ASN 19 16.249 -15.624 -15.624 140 2HB ASN 19 1HB ASN 19 15.826 -16.087 -16.087 141 1HD2 ASN 19 2HD2 ASN 19 19.126 -17.452 -17.452 142 2HD2 ASN 19 1HD2 ASN 19 18.333 -15.938 -15.938 143 H LEU 20 H LEU 20 12.309 -17.822 -17.822 144 HA LEU 20 HA LEU 20 12.361 -18.813 -18.813 145 1HB LEU 20 2HB LEU 20 10.721 -16.619 -16.619 146 2HB LEU 20 1HB LEU 20 9.875 -17.764 -17.764 147 HG LEU 20 HG LEU 20 12.267 -16.097 -16.097 148 1HD1 LEU 20 2HD1 LEU 20 9.333 -15.925 -15.925 149 2HD1 LEU 20 1HD1 LEU 20 10.469 -15.343 -15.343 150 3HD1 LEU 20 3HD1 LEU 20 10.481 -14.649 -14.649 151 1HD2 LEU 20 2HD2 LEU 20 10.893 -18.387 -18.387 152 2HD2 LEU 20 1HD2 LEU 20 12.611 -17.997 -17.997 153 3HD2 LEU 20 3HD2 LEU 20 11.547 -17.077 -17.077 154 H HIS 21 H HIS 21 12.377 -20.150 -20.150 155 HA HIS 21 HA HIS 21 9.947 -21.756 -21.756 156 1HB HIS 21 2HB HIS 21 10.998 -20.617 -20.617 157 2HB HIS 21 1HB HIS 21 9.981 -22.054 -22.054 158 HD1 HIS 21 HD1 HIS 21 7.693 -21.505 -21.505 159 HD2 HIS 21 HD2 HIS 21 9.486 -18.443 -18.443 160 HE1 HIS 21 HE1 HIS 21 5.944 -19.711 -19.711 161 HE2 HIS 21 HE2 HIS 21 7.025 -17.902 -17.902 162 H SER 22 H SER 22 10.124 -23.936 -23.936 163 HA SER 22 HA SER 22 12.522 -25.194 -25.194 164 1HB SER 22 2HB SER 22 10.409 -26.386 -26.386 165 2HB SER 22 1HB SER 22 11.513 -27.243 -27.243 166 HG SER 22 HG SER 22 10.343 -26.651 -26.651 167 H PHE 23 H PHE 23 14.126 -26.227 -26.227 168 HA PHE 23 HA PHE 23 14.188 -26.062 -26.062 169 1HB PHE 23 2HB PHE 23 15.478 -23.975 -23.975 170 2HB PHE 23 1HB PHE 23 16.540 -24.724 -24.724 171 HD1 PHE 23 HD1 PHE 23 15.404 -25.015 -25.015 172 HD2 PHE 23 HD2 PHE 23 14.295 -22.130 -22.130 173 HE1 PHE 23 HE1 PHE 23 14.431 -23.606 -23.606 174 HE2 PHE 23 HE2 PHE 23 13.318 -20.715 -20.715 175 HZ PHE 23 HZ PHE 23 13.385 -21.454 -21.454 176 H ASP 24 H ASP 24 14.347 -28.358 -28.358 177 HA ASP 24 HA ASP 24 17.111 -29.172 -29.172 178 1HB ASP 24 2HB ASP 24 15.469 -29.937 -29.937 179 2HB ASP 24 1HB ASP 24 17.086 -30.521 -30.521 180 HA PRO 25 HA PRO 25 13.859 -31.912 -31.912 181 1HB PRO 25 2HB PRO 25 15.729 -31.659 -31.659 182 2HB PRO 25 1HB PRO 25 13.974 -31.464 -31.464 183 1HG PRO 25 2HG PRO 25 15.599 -29.356 -29.356 184 2HG PRO 25 1HG PRO 25 14.102 -29.252 -29.252 185 1HD PRO 25 2HD PRO 25 16.928 -29.546 -29.546 186 2HD PRO 25 1HD PRO 25 15.620 -28.534 -28.534 187 H PHE 26 H PHE 26 17.334 -31.904 -31.904 188 HA PHE 26 HA PHE 26 17.540 -34.742 -34.742 189 1HB PHE 26 2HB PHE 26 19.893 -33.302 -33.302 190 2HB PHE 26 1HB PHE 26 19.777 -34.408 -34.408 191 HD1 PHE 26 HD2 PHE 26 17.832 -33.143 -33.143 192 HD2 PHE 26 HD1 PHE 26 20.924 -31.387 -31.387 193 HE1 PHE 26 HE2 PHE 26 17.914 -31.235 -31.235 194 HE2 PHE 26 HE1 PHE 26 21.011 -29.474 -29.474 195 HZ PHE 26 HZ PHE 26 19.505 -29.397 -29.397 196 H ALA 27 H ALA 27 17.583 -32.578 -32.578 197 HA ALA 27 HA ALA 27 18.000 -34.880 -34.880 198 1HB ALA 27 1HB ALA 27 18.665 -31.975 -31.975 199 2HB ALA 27 3HB ALA 27 18.475 -33.004 -33.004 200 3HB ALA 27 2HB ALA 27 19.705 -33.384 -33.384 201 H ASP 28 H ASP 28 15.921 -35.614 -35.614 202 HA ASP 28 HA ASP 28 13.813 -35.740 -35.740 203 1HB ASP 28 2HB ASP 28 15.099 -34.635 -34.635 204 2HB ASP 28 1HB ASP 28 14.257 -33.166 -33.166 205 H ALA 29 H ALA 29 12.912 -35.343 -35.343 206 HA ALA 29 HA ALA 29 12.131 -32.605 -32.605 207 1HB ALA 29 2HB ALA 29 12.125 -35.180 -35.180 208 2HB ALA 29 1HB ALA 29 11.188 -33.796 -33.796 209 3HB ALA 29 3HB ALA 29 12.937 -33.661 -33.661 210 H SER 30 H SER 30 10.862 -33.324 -33.324 211 HA SER 30 HA SER 30 8.430 -34.684 -34.684 212 1HB SER 30 2HB SER 30 9.352 -32.509 -32.509 213 2HB SER 30 1HB SER 30 7.756 -33.248 -33.248 214 HG SER 30 HG SER 30 10.182 -34.717 -34.717 215 H LYS 31 H LYS 31 6.264 -33.474 -33.474 216 HA LYS 31 HA LYS 31 6.063 -31.151 -31.151 217 1HB LYS 31 2HB LYS 31 5.310 -33.456 -33.456 218 2HB LYS 31 1HB LYS 31 3.907 -33.235 -33.235 219 1HG LYS 31 2HG LYS 31 3.439 -31.098 -31.098 220 2HG LYS 31 1HG LYS 31 4.810 -31.390 -31.390 221 1HD LYS 31 2HD LYS 31 2.871 -33.594 -33.594 222 2HD LYS 31 1HD LYS 31 2.251 -32.110 -32.110 223 1HE LYS 31 2HE LYS 31 4.154 -32.109 -32.109 224 2HE LYS 31 1HE LYS 31 4.717 -33.623 -33.623 225 1HZ LYS 31 3HZ LYS 31 1.967 -33.669 -33.669 226 2HZ LYS 31 2HZ LYS 31 3.081 -33.439 -33.439 227 3HZ LYS 31 1HZ LYS 31 3.203 -34.797 -34.797 228 H GLY 32 H GLY 32 6.219 -31.125 -31.125 229 1HA GLY 32 2HA GLY 32 5.198 -29.862 -29.862 230 2HA GLY 32 1HA GLY 32 3.839 -29.610 -29.610 231 H ASP 33 H ASP 33 4.368 -30.619 -30.619 232 HA ASP 33 HA ASP 33 2.283 -32.682 -32.682 233 1HB ASP 33 2HB ASP 33 4.796 -33.455 -33.455 234 2HB ASP 33 1HB ASP 33 4.400 -32.980 -32.980 235 H ASP 34 H ASP 34 4.185 -30.770 -30.770 236 HA ASP 34 HA ASP 34 1.661 -29.913 -29.913 237 1HB ASP 34 2HB ASP 34 3.183 -31.806 -31.806 238 2HB ASP 34 1HB ASP 34 3.924 -30.354 -30.354 239 H LEU 35 H LEU 35 3.495 -28.592 -28.592 240 HA LEU 35 HA LEU 35 4.825 -26.583 -26.583 241 1HB LEU 35 2HB LEU 35 5.518 -27.714 -27.714 242 2HB LEU 35 1HB LEU 35 4.718 -26.265 -26.265 243 HG LEU 35 HG LEU 35 6.248 -24.892 -24.892 244 1HD1 LEU 35 1HD1 LEU 35 7.103 -27.569 -27.569 245 2HD1 LEU 35 3HD1 LEU 35 8.380 -26.384 -26.384 246 3HD1 LEU 35 2HD1 LEU 35 7.075 -26.032 -26.032 247 1HD2 LEU 35 2HD2 LEU 35 6.686 -25.701 -25.701 248 2HD2 LEU 35 1HD2 LEU 35 8.008 -24.967 -24.967 249 3HD2 LEU 35 3HD2 LEU 35 7.922 -26.720 -26.720 250 H LEU 36 H LEU 36 2.985 -25.594 -25.594 251 HA LEU 36 HA LEU 36 0.884 -24.493 -24.493 252 1HB LEU 36 2HB LEU 36 1.774 -24.166 -24.166 253 2HB LEU 36 1HB LEU 36 0.521 -23.132 -23.132 254 HG LEU 36 HG LEU 36 -0.446 -25.006 -25.006 255 1HD1 LEU 36 1HD1 LEU 36 -1.410 -24.043 -24.043 256 2HD1 LEU 36 3HD1 LEU 36 -0.962 -25.610 -25.610 257 3HD1 LEU 36 2HD1 LEU 36 -2.096 -25.521 -25.521 258 1HD2 LEU 36 1HD2 LEU 36 1.512 -26.540 -26.540 259 2HD2 LEU 36 3HD2 LEU 36 -0.095 -27.265 -27.265 260 3HD2 LEU 36 2HD2 LEU 36 0.739 -26.847 -26.847 261 HA PRO 37 HA PRO 37 2.814 -20.738 -20.738 262 1HB PRO 37 2HB PRO 37 0.643 -19.230 -19.230 263 2HB PRO 37 1HB PRO 37 1.081 -20.622 -20.622 264 1HG PRO 37 2HG PRO 37 -0.968 -20.420 -20.420 265 2HG PRO 37 1HG PRO 37 -1.090 -21.212 -21.212 266 1HD PRO 37 2HD PRO 37 -0.583 -22.560 -22.560 267 2HD PRO 37 1HD PRO 37 -0.010 -23.104 -23.104 268 H ALA 38 H ALA 38 2.337 -18.215 -18.215 269 HA ALA 38 HA ALA 38 1.548 -17.587 -17.587 270 1HB ALA 38 1HB ALA 38 4.110 -18.283 -18.283 271 2HB ALA 38 3HB ALA 38 4.243 -16.581 -16.581 272 3HB ALA 38 2HB ALA 38 3.570 -17.034 -17.034 273 H GLY 39 H GLY 39 -0.021 -16.243 -16.243 274 1HA GLY 39 2HA GLY 39 1.005 -13.900 -13.900 275 2HA GLY 39 1HA GLY 39 -0.592 -14.584 -14.584 276 H THR 40 H THR 40 1.227 -13.688 -13.688 277 HA THR 40 HA THR 40 -0.486 -11.472 -11.472 278 HB THR 40 HB THR 40 -1.225 -12.553 -12.553 279 HG1 THR 40 HG1 THR 40 -1.354 -14.737 -14.737 280 1HG2 THR 40 1HG2 THR 40 -2.638 -12.064 -12.064 281 2HG2 THR 40 3HG2 THR 40 -2.663 -13.823 -13.823 282 3HG2 THR 40 2HG2 THR 40 -3.294 -13.026 -13.026 283 H GLU 41 H GLU 41 1.785 -13.859 -13.859 284 HA GLU 41 HA GLU 41 3.659 -13.644 -13.644 285 1HB GLU 41 2HB GLU 41 3.522 -11.250 -11.250 286 2HB GLU 41 1HB GLU 41 4.143 -10.855 -10.855 287 1HG GLU 41 2HG GLU 41 5.259 -13.137 -13.137 288 2HG GLU 41 1HG GLU 41 5.809 -11.481 -11.481 289 H ASP 42 H ASP 42 0.803 -12.886 -12.886 290 HA ASP 42 HA ASP 42 -0.183 -12.253 -12.253 291 1HB ASP 42 2HB ASP 42 2.406 -13.476 -13.476 292 2HB ASP 42 1HB ASP 42 1.602 -12.537 -12.537 293 H TYR 43 H TYR 43 0.236 -10.066 -10.066 294 HA TYR 43 HA TYR 43 2.079 -8.221 -8.221 295 1HB TYR 43 2HB TYR 43 -0.610 -7.722 -7.722 296 2HB TYR 43 1HB TYR 43 0.619 -6.494 -6.494 297 HD1 TYR 43 HD2 TYR 43 2.854 -8.723 -8.723 298 HD2 TYR 43 HD1 TYR 43 -0.564 -7.084 -7.084 299 HE1 TYR 43 HE2 TYR 43 3.850 -9.236 -9.236 300 HE2 TYR 43 HE1 TYR 43 0.426 -7.591 -7.591 301 HH TYR 43 HH TYR 43 2.124 -9.218 -9.218 302 H ILE 44 H ILE 44 1.519 -6.227 -6.227 303 HA ILE 44 HA ILE 44 -0.357 -6.839 -6.839 304 HB ILE 44 HB ILE 44 2.172 -5.189 -5.189 305 1HG1 ILE 44 2HG1 ILE 44 2.670 -7.552 -7.552 306 2HG1 ILE 44 1HG1 ILE 44 2.929 -6.972 -6.972 307 1HG2 ILE 44 3HG2 ILE 44 0.109 -5.797 -5.797 308 2HG2 ILE 44 2HG2 ILE 44 1.708 -5.139 -5.139 309 3HG2 ILE 44 1HG2 ILE 44 0.566 -4.214 -4.214 310 1HD1 ILE 44 2HD1 ILE 44 0.453 -7.789 -7.789 311 2HD1 ILE 44 1HD1 ILE 44 0.859 -8.811 -8.811 312 3HD1 ILE 44 3HD1 ILE 44 1.812 -8.908 -8.908 313 H HIS 45 H HIS 45 -2.159 -5.805 -5.805 314 HA HIS 45 HA HIS 45 -2.205 -3.288 -3.288 315 1HB HIS 45 2HB HIS 45 -4.048 -5.347 -5.347 316 2HB HIS 45 1HB HIS 45 -4.703 -3.842 -3.842 317 HD1 HIS 45 HD1 HIS 45 -3.638 -5.455 -5.455 318 HD2 HIS 45 HD2 HIS 45 -5.711 -2.115 -2.115 319 HE1 HIS 45 HE1 HIS 45 -4.706 -4.459 -4.459 320 HE2 HIS 45 HE2 HIS 45 -5.900 -2.401 -2.401 321 H ILE 46 H ILE 46 -2.050 -1.331 -1.331 322 HA ILE 46 HA ILE 46 -2.081 -0.923 -0.923 323 HB ILE 46 HB ILE 46 -1.540 1.057 1.057 324 1HG1 ILE 46 2HG1 ILE 46 0.080 -0.859 -0.859 325 2HG1 ILE 46 1HG1 ILE 46 0.789 0.736 0.736 326 1HG2 ILE 46 2HG2 ILE 46 -1.230 1.287 1.287 327 2HG2 ILE 46 1HG2 ILE 46 -0.530 2.419 2.419 328 3HG2 ILE 46 3HG2 ILE 46 -2.282 2.240 2.240 329 1HD1 ILE 46 1HD1 ILE 46 0.277 0.190 0.190 330 2HD1 ILE 46 3HD1 ILE 46 0.416 -1.461 -1.461 331 3HD1 ILE 46 2HD1 ILE 46 1.759 -0.332 -0.332 332 H ARG 47 H ARG 47 -3.273 1.659 1.659 333 HA ARG 47 HA ARG 47 -5.384 2.448 2.448 334 1HB ARG 47 2HB ARG 47 -6.116 -0.015 -0.015 335 2HB ARG 47 1HB ARG 47 -6.611 0.563 0.563 336 1HG ARG 47 2HG ARG 47 -7.528 2.145 2.145 337 2HG ARG 47 1HG ARG 47 -8.225 0.535 0.535 338 1HD ARG 47 2HD ARG 47 -8.188 1.796 1.796 339 2HD ARG 47 1HD ARG 47 -8.884 2.922 2.922 340 HE ARG 47 HE ARG 47 -10.083 0.540 0.540 341 1HH1 ARG 47 2HH1 ARG 47 -9.886 2.593 2.593 342 2HH1 ARG 47 1HH1 ARG 47 -11.445 2.133 2.133 343 1HH2 ARG 47 1HH2 ARG 47 -12.133 -0.066 -0.066 344 2HH2 ARG 47 2HH2 ARG 47 -12.720 0.624 0.624 345 H ILE 48 H ILE 48 -6.358 4.166 4.166 346 HA ILE 48 HA ILE 48 -5.962 4.745 4.745 347 HB ILE 48 HB ILE 48 -5.625 6.458 6.458 348 1HG1 ILE 48 2HG1 ILE 48 -4.230 6.368 6.368 349 2HG1 ILE 48 1HG1 ILE 48 -3.680 5.564 5.564 350 1HG2 ILE 48 3HG2 ILE 48 -6.585 7.501 7.501 351 2HG2 ILE 48 2HG2 ILE 48 -5.839 8.504 8.504 352 3HG2 ILE 48 1HG2 ILE 48 -7.364 7.682 7.682 353 1HD1 ILE 48 3HD1 ILE 48 -3.996 8.539 8.539 354 2HD1 ILE 48 2HD1 ILE 48 -2.476 7.653 7.653 355 3HD1 ILE 48 1HD1 ILE 48 -3.340 7.696 7.696 356 H GLN 49 H GLN 49 -7.630 6.019 6.019 357 HA GLN 49 HA GLN 49 -10.171 6.186 6.186 358 1HB GLN 49 2HB GLN 49 -11.410 5.113 5.113 359 2HB GLN 49 1HB GLN 49 -10.176 4.018 4.018 360 1HG GLN 49 2HG GLN 49 -8.841 5.206 5.206 361 2HG GLN 49 1HG GLN 49 -10.488 5.246 5.246 362 1HE2 GLN 49 2HE2 GLN 49 -10.538 1.910 1.910 363 2HE2 GLN 49 1HE2 GLN 49 -11.259 3.480 3.480 364 H GLN 50 H GLN 50 -10.256 8.371 8.371 365 HA GLN 50 HA GLN 50 -9.892 9.780 9.780 366 1HB GLN 50 2HB GLN 50 -9.151 10.397 10.397 367 2HB GLN 50 1HB GLN 50 -10.550 11.425 11.425 368 1HG GLN 50 2HG GLN 50 -9.499 12.373 12.373 369 2HG GLN 50 1HG GLN 50 -8.125 11.287 11.287 370 1HE2 GLN 50 2HE2 GLN 50 -6.434 13.661 13.661 371 2HE2 GLN 50 1HE2 GLN 50 -6.455 12.475 12.475 372 H ARG 51 H ARG 51 -11.681 9.735 9.735 373 HA ARG 51 HA ARG 51 -14.299 9.456 9.456 374 1HB ARG 51 2HB ARG 51 -13.226 10.566 10.566 375 2HB ARG 51 1HB ARG 51 -14.937 10.286 10.286 376 1HG ARG 51 2HG ARG 51 -14.488 7.909 7.909 377 2HG ARG 51 1HG ARG 51 -12.772 8.192 8.192 378 1HD ARG 51 2HD ARG 51 -14.108 7.300 7.300 379 2HD ARG 51 1HD ARG 51 -13.173 8.760 8.760 380 HE ARG 51 HE ARG 51 -16.068 8.519 8.519 381 1HH1 ARG 51 2HH1 ARG 51 -13.296 10.642 10.642 382 2HH1 ARG 51 1HH1 ARG 51 -14.209 11.987 11.987 383 1HH2 ARG 51 1HH2 ARG 51 -17.262 10.290 10.290 384 2HH2 ARG 51 2HH2 ARG 51 -16.457 11.789 11.789 385 H ASN 52 H ASN 52 -13.342 12.370 12.370 386 HA ASN 52 HA ASN 52 -15.140 13.929 13.929 387 1HB ASN 52 2HB ASN 52 -15.035 14.017 14.017 388 2HB ASN 52 1HB ASN 52 -13.597 15.007 15.007 389 1HD2 ASN 52 2HD2 ASN 52 -15.824 17.691 17.691 390 2HD2 ASN 52 1HD2 ASN 52 -14.622 16.774 16.774 391 H GLY 53 H GLY 53 -12.991 13.163 13.163 392 1HA GLY 53 2HA GLY 53 -11.276 13.941 13.941 393 2HA GLY 53 1HA GLY 53 -12.038 15.511 15.511 394 H ARG 54 H ARG 54 -10.845 13.764 13.764 395 HA ARG 54 HA ARG 54 -8.288 15.091 15.091 396 1HB ARG 54 2HB ARG 54 -8.612 16.538 16.538 397 2HB ARG 54 1HB ARG 54 -10.055 16.759 16.759 398 1HG ARG 54 2HG ARG 54 -10.958 16.628 16.628 399 2HG ARG 54 1HG ARG 54 -11.059 14.944 14.944 400 1HD ARG 54 2HD ARG 54 -9.460 14.263 14.263 401 2HD ARG 54 1HD ARG 54 -8.565 15.778 15.778 402 HE ARG 54 HE ARG 54 -11.063 16.111 16.111 403 1HH1 ARG 54 2HH1 ARG 54 -7.785 14.995 14.995 404 2HH1 ARG 54 1HH1 ARG 54 -7.781 15.293 15.293 405 1HH2 ARG 54 1HH2 ARG 54 -11.058 16.504 16.504 406 2HH2 ARG 54 2HH2 ARG 54 -9.638 16.150 16.150 407 H LYS 55 H LYS 55 -10.685 13.178 13.178 408 HA LYS 55 HA LYS 55 -8.772 12.054 12.054 409 1HB LYS 55 2HB LYS 55 -11.431 12.273 12.273 410 2HB LYS 55 1HB LYS 55 -11.341 10.659 10.659 411 1HG LYS 55 2HG LYS 55 -11.458 10.304 10.304 412 2HG LYS 55 1HG LYS 55 -9.747 10.115 10.115 413 1HD LYS 55 2HD LYS 55 -10.036 12.827 12.827 414 2HD LYS 55 1HD LYS 55 -11.060 12.033 12.033 415 1HE LYS 55 2HE LYS 55 -8.183 11.312 11.312 416 2HE LYS 55 1HE LYS 55 -8.717 12.391 12.391 417 1HZ LYS 55 2HZ LYS 55 -9.765 9.638 9.638 418 2HZ LYS 55 1HZ LYS 55 -8.325 9.964 9.964 419 3HZ LYS 55 3HZ LYS 55 -9.778 10.655 10.655 420 H THR 56 H THR 56 -7.385 11.638 11.638 421 HA THR 56 HA THR 56 -8.003 9.398 9.398 422 HB THR 56 HB THR 56 -5.157 10.025 10.025 423 HG1 THR 56 HG1 THR 56 -5.616 12.085 12.085 424 1HG2 THR 56 3HG2 THR 56 -7.006 9.469 9.469 425 2HG2 THR 56 2HG2 THR 56 -5.788 10.691 10.691 426 3HG2 THR 56 1HG2 THR 56 -5.295 9.085 9.085 427 H LEU 57 H LEU 57 -7.435 7.279 7.279 428 HA LEU 57 HA LEU 57 -5.810 6.430 6.430 429 1HB LEU 57 2HB LEU 57 -8.696 5.849 5.849 430 2HB LEU 57 1HB LEU 57 -7.692 4.543 4.543 431 HG LEU 57 HG LEU 57 -7.615 7.209 7.209 432 1HD1 LEU 57 3HD1 LEU 57 -9.842 5.234 5.234 433 2HD1 LEU 57 2HD1 LEU 57 -9.395 6.043 6.043 434 3HD1 LEU 57 1HD1 LEU 57 -9.889 6.993 6.993 435 1HD2 LEU 57 2HD2 LEU 57 -6.940 4.381 4.381 436 2HD2 LEU 57 1HD2 LEU 57 -6.033 5.859 5.859 437 3HD2 LEU 57 3HD2 LEU 57 -7.429 5.449 5.449 438 H THR 58 H THR 58 -4.216 5.753 5.753 439 HA THR 58 HA THR 58 -4.690 4.182 4.182 440 HB THR 58 HB THR 58 -2.187 4.374 4.374 441 HG1 THR 58 HG1 THR 58 -3.207 6.339 6.339 442 1HG2 THR 58 1HG2 THR 58 -2.646 2.660 2.660 443 2HG2 THR 58 3HG2 THR 58 -1.827 4.034 4.034 444 3HG2 THR 58 2HG2 THR 58 -1.075 3.182 3.182 445 H THR 59 H THR 59 -4.674 1.987 1.987 446 HA THR 59 HA THR 59 -4.589 0.306 0.306 447 HB THR 59 HB THR 59 -6.084 -1.169 -1.169 448 HG1 THR 59 HG1 THR 59 -7.582 0.249 0.249 449 1HG2 THR 59 1HG2 THR 59 -6.780 0.653 0.653 450 2HG2 THR 59 3HG2 THR 59 -8.090 0.047 0.047 451 3HG2 THR 59 2HG2 THR 59 -7.031 -1.085 -1.085 452 H VAL 60 H VAL 60 -3.913 -1.901 -1.901 453 HA VAL 60 HA VAL 60 -2.203 -2.305 -2.305 454 HB VAL 60 HB VAL 60 -1.469 -3.069 -3.069 455 1HG1 VAL 60 1HG1 VAL 60 -0.668 -4.550 -4.550 456 2HG1 VAL 60 3HG1 VAL 60 0.292 -3.169 -3.169 457 3HG1 VAL 60 2HG1 VAL 60 0.575 -3.885 -3.885 458 1HG2 VAL 60 1HG2 VAL 60 -0.869 -0.703 -0.703 459 2HG2 VAL 60 3HG2 VAL 60 -1.023 -0.846 -0.846 460 3HG2 VAL 60 2HG2 VAL 60 0.457 -1.375 -1.375 461 H GLN 61 H GLN 61 -2.987 -3.974 -3.974 462 HA GLN 61 HA GLN 61 -4.060 -6.272 -6.272 463 1HB GLN 61 2HB GLN 61 -4.858 -6.229 -6.229 464 2HB GLN 61 1HB GLN 61 -5.849 -6.354 -6.354 465 1HG GLN 61 2HG GLN 61 -5.525 -3.822 -3.822 466 2HG GLN 61 1HG GLN 61 -4.969 -3.900 -3.900 467 1HE2 GLN 61 2HE2 GLN 61 -8.317 -5.334 -5.334 468 2HE2 GLN 61 1HE2 GLN 61 -6.722 -5.997 -5.997 469 H GLY 62 H GLY 62 -3.437 -8.328 -8.328 470 1HA GLY 62 2HA GLY 62 -2.384 -9.828 -9.828 471 2HA GLY 62 1HA GLY 62 -1.321 -8.500 -8.500 472 H ILE 63 H ILE 63 -1.051 -7.741 -7.741 473 HA ILE 63 HA ILE 63 1.316 -9.160 -9.160 474 HB ILE 63 HB ILE 63 -0.379 -7.327 -7.327 475 1HG1 ILE 63 2HG1 ILE 63 0.623 -6.010 -6.010 476 2HG1 ILE 63 1HG1 ILE 63 1.800 -5.920 -5.920 477 1HG2 ILE 63 3HG2 ILE 63 1.887 -8.998 -8.998 478 2HG2 ILE 63 2HG2 ILE 63 2.050 -7.298 -7.298 479 3HG2 ILE 63 1HG2 ILE 63 0.654 -8.219 -8.219 480 1HD1 ILE 63 1HD1 ILE 63 2.898 -7.930 -7.930 481 2HD1 ILE 63 3HD1 ILE 63 1.958 -7.349 -7.349 482 3HD1 ILE 63 2HD1 ILE 63 3.132 -6.286 -6.286 483 H ALA 64 H ALA 64 1.800 -10.671 -10.671 484 HA ALA 64 HA ALA 64 -0.373 -12.499 -12.499 485 1HB ALA 64 1HB ALA 64 1.990 -13.111 -13.111 486 2HB ALA 64 3HB ALA 64 2.464 -12.923 -12.923 487 3HB ALA 64 2HB ALA 64 1.241 -14.114 -14.114 488 H ASP 65 H ASP 65 -1.307 -12.811 -12.811 489 HA ASP 65 HA ASP 65 -1.026 -10.968 -10.968 490 1HB ASP 65 2HB ASP 65 -3.027 -12.449 -12.449 491 2HB ASP 65 1HB ASP 65 -2.137 -13.763 -13.763 492 H ASP 66 H ASP 66 0.778 -13.782 -13.782 493 HA ASP 66 HA ASP 66 1.715 -14.511 -14.511 494 1HB ASP 66 2HB ASP 66 2.198 -15.273 -15.273 495 2HB ASP 66 1HB ASP 66 3.753 -15.002 -15.002 496 H TYR 67 H TYR 67 2.515 -11.895 -11.895 497 HA TYR 67 HA TYR 67 5.103 -11.259 -11.259 498 1HB TYR 67 2HB TYR 67 2.759 -9.455 -9.455 499 2HB TYR 67 1HB TYR 67 4.403 -8.865 -8.865 500 HD1 TYR 67 HD2 TYR 67 4.288 -12.097 -12.097 501 HD2 TYR 67 HD1 TYR 67 3.900 -7.931 -7.931 502 HE1 TYR 67 HE2 TYR 67 4.721 -12.496 -12.496 503 HE2 TYR 67 HE1 TYR 67 4.329 -8.313 -8.313 504 HH TYR 67 HH TYR 67 4.126 -10.201 -10.201 505 H ASP 68 H ASP 68 5.468 -9.008 -9.008 506 HA ASP 68 HA ASP 68 4.668 -9.589 -9.589 507 1HB ASP 68 2HB ASP 68 6.681 -7.617 -7.617 508 2HB ASP 68 1HB ASP 68 6.388 -7.905 -7.905 509 H LYS 69 H LYS 69 2.512 -8.891 -8.891 510 HA LYS 69 HA LYS 69 1.387 -6.634 -6.634 511 1HB LYS 69 2HB LYS 69 0.808 -7.703 -7.703 512 2HB LYS 69 1HB LYS 69 -0.279 -6.761 -6.761 513 1HG LYS 69 2HG LYS 69 -0.003 -8.706 -8.706 514 2HG LYS 69 1HG LYS 69 0.563 -9.612 -9.612 515 1HD LYS 69 2HD LYS 69 -1.936 -8.072 -8.072 516 2HD LYS 69 1HD LYS 69 -2.021 -9.467 -9.467 517 1HE LYS 69 2HE LYS 69 -0.617 -10.444 -10.444 518 2HE LYS 69 1HE LYS 69 -1.769 -9.347 -9.347 519 1HZ LYS 69 3HZ LYS 69 -2.800 -11.161 -11.161 520 2HZ LYS 69 2HZ LYS 69 -2.360 -11.846 -11.846 521 3HZ LYS 69 1HZ LYS 69 -3.522 -10.618 -10.618 522 H LYS 70 H LYS 70 3.434 -6.855 -6.855 523 HA LYS 70 HA LYS 70 2.979 -4.127 -4.127 524 1HB LYS 70 2HB LYS 70 4.727 -4.547 -4.547 525 2HB LYS 70 1HB LYS 70 3.515 -5.821 -5.821 526 1HG LYS 70 2HG LYS 70 5.229 -6.967 -6.967 527 2HG LYS 70 1HG LYS 70 6.366 -5.915 -5.915 528 1HD LYS 70 2HD LYS 70 6.467 -7.680 -7.680 529 2HD LYS 70 1HD LYS 70 5.038 -6.905 -6.905 530 1HE LYS 70 2HE LYS 70 4.022 -8.872 -8.872 531 2HE LYS 70 1HE LYS 70 3.983 -8.444 -8.444 532 1HZ LYS 70 3HZ LYS 70 6.255 -9.888 -9.888 533 2HZ LYS 70 2HZ LYS 70 4.932 -10.685 -10.685 534 3HZ LYS 70 1HZ LYS 70 5.918 -9.699 -9.699 535 H LYS 71 H LYS 71 5.553 -5.925 -5.925 536 HA LYS 71 HA LYS 71 7.225 -3.610 -3.610 537 1HB LYS 71 2HB LYS 71 7.696 -6.288 -6.288 538 2HB LYS 71 1HB LYS 71 7.705 -5.901 -5.901 539 1HG LYS 71 2HG LYS 71 9.486 -4.367 -4.367 540 2HG LYS 71 1HG LYS 71 9.346 -4.399 -4.399 541 1HD LYS 71 2HD LYS 71 10.054 -6.817 -6.817 542 2HD LYS 71 1HD LYS 71 11.258 -5.728 -5.728 543 1HE LYS 71 2HE LYS 71 9.809 -6.203 -6.203 544 2HE LYS 71 1HE LYS 71 9.491 -7.702 -7.702 545 1HZ LYS 71 3HZ LYS 71 12.263 -6.780 -6.780 546 2HZ LYS 71 2HZ LYS 71 11.554 -7.453 -7.453 547 3HZ LYS 71 1HZ LYS 71 11.651 -8.357 -8.357 548 H LEU 72 H LEU 72 4.368 -4.169 -4.169 549 HA LEU 72 HA LEU 72 5.181 -3.186 -3.186 550 1HB LEU 72 2HB LEU 72 2.834 -4.794 -4.794 551 2HB LEU 72 1HB LEU 72 2.726 -3.859 -3.859 552 HG LEU 72 HG LEU 72 4.025 -5.295 -5.295 553 1HD1 LEU 72 3HD1 LEU 72 5.567 -5.839 -5.839 554 2HD1 LEU 72 2HD1 LEU 72 5.915 -6.575 -6.575 555 3HD1 LEU 72 1HD1 LEU 72 6.070 -4.828 -4.828 556 1HD2 LEU 72 3HD2 LEU 72 2.301 -6.581 -6.581 557 2HD2 LEU 72 2HD2 LEU 72 3.130 -7.315 -7.315 558 3HD2 LEU 72 1HD2 LEU 72 3.811 -7.458 -7.458 559 H VAL 73 H VAL 73 2.318 -2.927 -2.927 560 HA VAL 73 HA VAL 73 1.762 -0.291 -0.291 561 HB VAL 73 HB VAL 73 0.042 -2.062 -2.062 562 1HG1 VAL 73 1HG1 VAL 73 1.046 -2.449 -2.449 563 2HG1 VAL 73 3HG1 VAL 73 0.565 -0.817 -0.817 564 3HG1 VAL 73 2HG1 VAL 73 -0.663 -2.020 -2.020 565 1HG2 VAL 73 2HG2 VAL 73 -0.437 0.281 0.281 566 2HG2 VAL 73 1HG2 VAL 73 -1.579 -0.374 -0.374 567 3HG2 VAL 73 3HG2 VAL 73 -0.320 0.744 0.744 568 H LYS 74 H LYS 74 2.888 -1.656 -1.656 569 HA LYS 74 HA LYS 74 3.021 0.823 0.823 570 1HB LYS 74 2HB LYS 74 3.378 -1.797 -1.797 571 2HB LYS 74 1HB LYS 74 5.027 -1.189 -1.189 572 1HG LYS 74 2HG LYS 74 3.909 0.768 0.768 573 2HG LYS 74 1HG LYS 74 2.693 -0.470 -0.470 574 1HD LYS 74 2HD LYS 74 4.121 -0.854 -0.854 575 2HD LYS 74 1HD LYS 74 4.826 -1.930 -1.930 576 1HE LYS 74 2HE LYS 74 6.480 -0.262 -0.262 577 2HE LYS 74 1HE LYS 74 5.735 0.897 0.897 578 1HZ LYS 74 1HZ LYS 74 6.980 -1.677 -1.677 579 2HZ LYS 74 3HZ LYS 74 7.695 -0.152 -0.152 580 3HZ LYS 74 2HZ LYS 74 6.303 -0.532 -0.532 581 H ALA 75 H ALA 75 5.368 -1.061 -1.061 582 HA ALA 75 HA ALA 75 7.579 0.641 0.641 583 1HB ALA 75 1HB ALA 75 6.835 -1.387 -1.387 584 2HB ALA 75 3HB ALA 75 8.291 -0.407 -0.407 585 3HB ALA 75 2HB ALA 75 8.100 -1.464 -1.464 586 H PHE 76 H PHE 76 4.992 0.538 0.538 587 HA PHE 76 HA PHE 76 5.831 2.462 2.462 588 1HB PHE 76 2HB PHE 76 3.648 1.065 1.065 589 2HB PHE 76 1HB PHE 76 2.979 2.405 2.405 590 HD1 PHE 76 HD2 PHE 76 4.307 1.355 1.355 591 HD2 PHE 76 HD1 PHE 76 2.503 4.517 4.517 592 HE1 PHE 76 HE2 PHE 76 3.847 2.548 2.548 593 HE2 PHE 76 HE1 PHE 76 2.036 5.713 5.713 594 HZ PHE 76 HZ PHE 76 2.708 4.727 4.727 595 H LYS 77 H LYS 77 4.292 2.912 2.912 596 HA LYS 77 HA LYS 77 4.064 5.742 5.742 597 1HB LYS 77 2HB LYS 77 4.134 4.048 4.048 598 2HB LYS 77 1HB LYS 77 3.450 5.660 5.660 599 1HG LYS 77 2HG LYS 77 2.059 4.316 4.316 600 2HG LYS 77 1HG LYS 77 2.325 3.044 3.044 601 1HD LYS 77 2HD LYS 77 1.244 5.763 5.763 602 2HD LYS 77 1HD LYS 77 0.209 4.398 4.398 603 1HE LYS 77 2HE LYS 77 0.543 3.362 3.362 604 2HE LYS 77 1HE LYS 77 2.245 3.817 3.817 605 1HZ LYS 77 2HZ LYS 77 1.528 6.069 6.069 606 2HZ LYS 77 1HZ LYS 77 -0.075 5.531 5.531 607 3HZ LYS 77 3HZ LYS 77 1.071 4.887 4.887 608 H LYS 78 H LYS 78 6.738 3.749 3.749 609 HA LYS 78 HA LYS 78 8.215 5.783 5.783 610 1HB LYS 78 2HB LYS 78 8.260 3.384 3.384 611 2HB LYS 78 1HB LYS 78 9.111 2.996 2.996 612 1HG LYS 78 2HG LYS 78 11.060 3.679 3.679 613 2HG LYS 78 1HG LYS 78 10.364 5.184 5.184 614 1HD LYS 78 2HD LYS 78 11.203 3.971 3.971 615 2HD LYS 78 1HD LYS 78 9.441 3.876 3.876 616 1HE LYS 78 2HE LYS 78 10.669 1.706 1.706 617 2HE LYS 78 1HE LYS 78 11.182 1.752 1.752 618 1HZ LYS 78 2HZ LYS 78 8.325 2.019 2.019 619 2HZ LYS 78 1HZ LYS 78 9.027 0.485 0.485 620 3HZ LYS 78 3HZ LYS 78 9.089 1.321 1.321 621 H LYS 79 H LYS 79 7.808 4.495 4.495 622 HA LYS 79 HA LYS 79 10.383 5.512 5.512 623 1HB LYS 79 2HB LYS 79 9.009 3.286 3.286 624 2HB LYS 79 1HB LYS 79 8.478 4.400 4.400 625 1HG LYS 79 2HG LYS 79 11.158 4.836 4.836 626 2HG LYS 79 1HG LYS 79 11.081 3.122 3.122 627 1HD LYS 79 2HD LYS 79 10.992 2.857 2.857 628 2HD LYS 79 1HD LYS 79 9.279 3.211 3.211 629 1HE LYS 79 2HE LYS 79 10.183 4.544 4.544 630 2HE LYS 79 1HE LYS 79 9.712 5.578 5.578 631 1HZ LYS 79 3HZ LYS 79 12.484 4.644 4.644 632 2HZ LYS 79 2HZ LYS 79 12.014 5.858 5.858 633 3HZ LYS 79 1HZ LYS 79 11.861 6.103 6.103 634 H PHE 80 H PHE 80 6.928 6.122 6.122 635 HA PHE 80 HA PHE 80 7.596 8.570 8.570 636 1HB PHE 80 2HB PHE 80 4.904 7.240 7.240 637 2HB PHE 80 1HB PHE 80 5.622 8.385 8.385 638 HD1 PHE 80 HD2 PHE 80 7.229 7.655 7.655 639 HD2 PHE 80 HD1 PHE 80 5.472 4.898 4.898 640 HE1 PHE 80 HE2 PHE 80 8.006 5.785 5.785 641 HE2 PHE 80 HE1 PHE 80 6.247 3.023 3.023 642 HZ PHE 80 HZ PHE 80 7.516 3.465 3.465 643 H ALA 81 H ALA 81 6.118 7.287 7.287 644 HA ALA 81 HA ALA 81 5.308 8.353 8.353 645 1HB ALA 81 2HB ALA 81 6.904 10.217 10.217 646 2HB ALA 81 1HB ALA 81 5.430 11.010 11.010 647 3HB ALA 81 3HB ALA 81 5.633 10.624 10.624 648 H CYS 82 H CYS 82 3.669 7.324 7.324 649 HA CYS 82 HA CYS 82 1.341 9.118 9.118 650 1HB CYS 82 2HB CYS 82 2.474 7.826 7.826 651 2HB CYS 82 1HB CYS 82 1.102 6.802 6.802 652 HG CYS 82 HG CYS 82 -0.317 8.425 8.425 653 H ASN 83 H ASN 83 -0.793 7.683 7.683 654 HA ASN 83 HA ASN 83 -0.649 5.767 5.767 655 1HB ASN 83 2HB ASN 83 -2.137 7.339 7.339 656 2HB ASN 83 1HB ASN 83 -2.656 7.800 7.800 657 1HD2 ASN 83 2HD2 ASN 83 -5.141 5.291 5.291 658 2HD2 ASN 83 1HD2 ASN 83 -3.987 6.180 6.180 659 H GLY 84 H GLY 84 -1.105 3.684 3.684 660 1HA GLY 84 2HA GLY 84 -2.479 3.048 3.048 661 2HA GLY 84 1HA GLY 84 -1.086 2.139 2.139 662 H THR 85 H THR 85 -3.905 1.371 1.371 663 HA THR 85 HA THR 85 -4.473 0.068 0.068 664 HB THR 85 HB THR 85 -6.885 0.117 0.117 665 HG1 THR 85 HG1 THR 85 -7.486 0.879 0.879 666 1HG2 THR 85 2HG2 THR 85 -5.355 2.615 2.615 667 2HG2 THR 85 1HG2 THR 85 -7.071 2.735 2.735 668 3HG2 THR 85 3HG2 THR 85 -6.552 1.807 1.807 669 H VAL 86 H VAL 86 -5.632 -2.000 -2.000 670 HA VAL 86 HA VAL 86 -4.905 -3.407 -3.407 671 HB VAL 86 HB VAL 86 -3.571 -4.146 -4.146 672 1HG1 VAL 86 3HG1 VAL 86 -5.849 -3.756 -3.756 673 2HG1 VAL 86 2HG1 VAL 86 -5.724 -5.514 -5.514 674 3HG1 VAL 86 1HG1 VAL 86 -4.381 -4.560 -4.560 675 1HG2 VAL 86 2HG2 VAL 86 -4.730 -5.716 -5.716 676 2HG2 VAL 86 1HG2 VAL 86 -3.632 -6.329 -6.329 677 3HG2 VAL 86 3HG2 VAL 86 -5.376 -6.457 -6.457 678 H ILE 87 H ILE 87 -7.108 -2.595 -2.595 679 HA ILE 87 HA ILE 87 -9.384 -3.867 -3.867 680 HB ILE 87 HB ILE 87 -10.720 -2.774 -2.774 681 1HG1 ILE 87 2HG1 ILE 87 -8.549 -1.166 -1.166 682 2HG1 ILE 87 1HG1 ILE 87 -8.402 -2.876 -2.876 683 1HG2 ILE 87 2HG2 ILE 87 -8.682 -0.980 -0.980 684 2HG2 ILE 87 1HG2 ILE 87 -10.198 -0.435 -0.435 685 3HG2 ILE 87 3HG2 ILE 87 -10.220 -1.508 -1.508 686 1HD1 ILE 87 3HD1 ILE 87 -10.988 -1.434 -1.434 687 2HD1 ILE 87 2HD1 ILE 87 -9.697 -1.341 -1.341 688 3HD1 ILE 87 1HD1 ILE 87 -10.398 -2.903 -2.903 689 H GLU 88 H GLU 88 -10.742 -5.398 -5.398 690 HA GLU 88 HA GLU 88 -9.462 -7.043 -7.043 691 1HB GLU 88 2HB GLU 88 -10.194 -7.929 -7.929 692 2HB GLU 88 1HB GLU 88 -11.796 -7.966 -7.966 693 1HG GLU 88 2HG GLU 88 -10.723 -9.322 -9.322 694 2HG GLU 88 1HG GLU 88 -9.356 -9.514 -9.514 695 H HIS 89 H HIS 89 -10.229 -5.465 -5.465 696 HA HIS 89 HA HIS 89 -12.837 -4.757 -4.757 697 1HB HIS 89 2HB HIS 89 -10.522 -4.227 -4.227 698 2HB HIS 89 1HB HIS 89 -11.148 -5.419 -5.419 699 HD1 HIS 89 HD1 HIS 89 -12.731 -4.574 -4.574 700 HD2 HIS 89 HD2 HIS 89 -12.370 -1.968 -1.968 701 HE1 HIS 89 HE1 HIS 89 -14.070 -2.542 -2.542 702 HE2 HIS 89 HE2 HIS 89 -13.844 -0.978 -0.978 703 HA PRO 90 HA PRO 90 -14.703 -8.664 -8.664 704 1HB PRO 90 2HB PRO 90 -17.127 -7.740 -7.740 705 2HB PRO 90 1HB PRO 90 -16.614 -7.792 -7.792 706 1HG PRO 90 2HG PRO 90 -16.649 -5.479 -5.479 707 2HG PRO 90 1HG PRO 90 -17.142 -5.535 -5.535 708 1HD PRO 90 2HD PRO 90 -14.733 -4.569 -4.569 709 2HD PRO 90 1HD PRO 90 -14.985 -5.324 -5.324 710 H GLU 91 H GLU 91 -14.162 -6.023 -6.023 711 HA GLU 91 HA GLU 91 -15.166 -7.359 -7.359 712 1HB GLU 91 2HB GLU 91 -14.547 -4.708 -4.708 713 2HB GLU 91 1HB GLU 91 -13.438 -5.138 -5.138 714 1HG GLU 91 2HG GLU 91 -16.439 -5.324 -5.324 715 2HG GLU 91 1HG GLU 91 -15.437 -4.113 -4.113 716 H TYR 92 H TYR 92 -12.163 -7.088 -7.088 717 HA TYR 92 HA TYR 92 -10.849 -8.605 -8.605 718 1HB TYR 92 2HB TYR 92 -9.230 -6.884 -6.884 719 2HB TYR 92 1HB TYR 92 -8.900 -7.374 -7.374 720 HD1 TYR 92 HD2 TYR 92 -11.068 -6.518 -6.518 721 HD2 TYR 92 HD1 TYR 92 -9.420 -4.595 -4.595 722 HE1 TYR 92 HE2 TYR 92 -11.925 -4.362 -4.362 723 HE2 TYR 92 HE1 TYR 92 -10.272 -2.431 -2.431 724 HH TYR 92 HH TYR 92 -12.522 -2.167 -2.167 725 H GLY 93 H GLY 93 -10.651 -7.819 -7.819 726 1HA GLY 93 2HA GLY 93 -10.937 -10.075 -10.075 727 2HA GLY 93 1HA GLY 93 -9.410 -10.431 -10.431 728 H GLU 94 H GLU 94 -7.607 -9.913 -9.913 729 HA GLU 94 HA GLU 94 -7.850 -8.125 -8.125 730 1HB GLU 94 2HB GLU 94 -6.912 -10.645 -10.645 731 2HB GLU 94 1HB GLU 94 -5.417 -9.784 -9.784 732 1HG GLU 94 2HG GLU 94 -5.340 -8.812 -8.812 733 2HG GLU 94 1HG GLU 94 -7.091 -8.818 -8.818 734 H VAL 95 H VAL 95 -7.552 -6.138 -6.138 735 HA VAL 95 HA VAL 95 -4.893 -5.720 -5.720 736 HB VAL 95 HB VAL 95 -5.853 -3.876 -3.876 737 1HG1 VAL 95 1HG1 VAL 95 -5.892 -6.458 -6.458 738 2HG1 VAL 95 3HG1 VAL 95 -7.630 -6.156 -6.156 739 3HG1 VAL 95 2HG1 VAL 95 -6.548 -5.219 -5.219 740 1HG2 VAL 95 1HG2 VAL 95 -7.733 -3.408 -3.408 741 2HG2 VAL 95 3HG2 VAL 95 -8.207 -3.469 -3.469 742 3HG2 VAL 95 2HG2 VAL 95 -8.550 -4.836 -4.836 743 H ILE 96 H ILE 96 -3.671 -4.060 -4.060 744 HA ILE 96 HA ILE 96 -4.415 -2.902 -2.902 745 HB ILE 96 HB ILE 96 -1.993 -2.742 -2.742 746 1HG1 ILE 96 2HG1 ILE 96 -2.693 -4.445 -4.445 747 2HG1 ILE 96 1HG1 ILE 96 -1.021 -4.047 -4.047 748 1HG2 ILE 96 3HG2 ILE 96 -2.538 -0.923 -0.923 749 2HG2 ILE 96 2HG2 ILE 96 -0.948 -1.175 -1.175 750 3HG2 ILE 96 1HG2 ILE 96 -2.245 -0.450 -0.450 751 1HD1 ILE 96 2HD1 ILE 96 -2.607 -2.566 -2.566 752 2HD1 ILE 96 1HD1 ILE 96 -1.677 -4.020 -4.020 753 3HD1 ILE 96 3HD1 ILE 96 -0.860 -2.577 -2.577 754 H GLN 97 H GLN 97 -4.474 -0.585 -0.585 755 HA GLN 97 HA GLN 97 -5.271 1.005 1.005 756 1HB GLN 97 2HB GLN 97 -6.938 0.145 0.145 757 2HB GLN 97 1HB GLN 97 -6.762 1.891 1.891 758 1HG GLN 97 2HG GLN 97 -7.437 2.011 2.011 759 2HG GLN 97 1HG GLN 97 -7.790 0.284 0.284 760 1HE2 GLN 97 2HE2 GLN 97 -10.088 2.770 2.770 761 2HE2 GLN 97 1HE2 GLN 97 -8.393 3.053 3.053 762 H LEU 98 H LEU 98 -3.473 2.286 2.286 763 HA LEU 98 HA LEU 98 -2.430 3.537 3.537 764 1HB LEU 98 2HB LEU 98 -1.619 4.044 4.044 765 2HB LEU 98 1HB LEU 98 -0.718 4.448 4.448 766 HG LEU 98 HG LEU 98 -1.366 1.587 1.587 767 1HD1 LEU 98 2HD1 LEU 98 0.385 3.344 3.344 768 2HD1 LEU 98 1HD1 LEU 98 1.209 1.924 1.924 769 3HD1 LEU 98 3HD1 LEU 98 -0.216 1.728 1.728 770 1HD2 LEU 98 2HD2 LEU 98 0.459 3.100 3.100 771 2HD2 LEU 98 1HD2 LEU 98 -0.418 1.597 1.597 772 3HD2 LEU 98 3HD2 LEU 98 1.061 1.585 1.585 773 H GLN 99 H GLN 99 -2.221 5.850 5.850 774 HA GLN 99 HA GLN 99 -4.630 7.204 7.204 775 1HB GLN 99 2HB GLN 99 -2.964 7.357 7.357 776 2HB GLN 99 1HB GLN 99 -3.024 8.942 8.942 777 1HG GLN 99 2HG GLN 99 -5.634 7.673 7.673 778 2HG GLN 99 1HG GLN 99 -4.872 7.901 7.901 779 1HE2 GLN 99 2HE2 GLN 99 -6.251 11.055 11.055 780 2HE2 GLN 99 1HE2 GLN 99 -6.197 9.458 9.458 781 H GLY 100 H GLY 100 -4.685 9.070 9.070 782 1HA GLY 100 2HA GLY 100 -3.932 10.744 10.744 783 2HA GLY 100 1HA GLY 100 -2.304 10.442 10.442 784 H ASP 101 H ASP 101 -2.413 11.028 11.028 785 HA ASP 101 HA ASP 101 -2.839 8.753 8.753 786 1HB ASP 101 2HB ASP 101 -1.771 10.198 10.198 787 2HB ASP 101 1HB ASP 101 -3.156 10.938 10.938 788 H GLN 102 H GLN 102 -1.495 7.232 7.232 789 HA GLN 102 HA GLN 102 1.383 7.633 7.633 790 1HB GLN 102 2HB GLN 102 -0.428 5.913 5.913 791 2HB GLN 102 1HB GLN 102 1.065 5.137 5.137 792 1HG GLN 102 2HG GLN 102 1.030 6.280 6.280 793 2HG GLN 102 1HG GLN 102 2.392 6.617 6.617 794 1HE2 GLN 102 2HE2 GLN 102 -0.428 9.567 9.567 795 2HE2 GLN 102 1HE2 GLN 102 -0.878 7.918 7.918 796 H ARG 103 H ARG 103 -0.687 6.895 6.895 797 HA ARG 103 HA ARG 103 -0.198 4.372 4.372 798 1HB ARG 103 2HB ARG 103 -0.747 5.279 5.279 799 2HB ARG 103 1HB ARG 103 -1.834 5.912 5.912 800 1HG ARG 103 2HG ARG 103 -1.132 8.028 8.028 801 2HG ARG 103 1HG ARG 103 0.548 7.551 7.551 802 1HD ARG 103 2HD ARG 103 0.256 7.944 7.944 803 2HD ARG 103 1HD ARG 103 -0.840 6.565 6.565 804 HE ARG 103 HE ARG 103 -2.338 8.710 8.710 805 1HH1 ARG 103 2HH1 ARG 103 -0.508 7.884 7.884 806 2HH1 ARG 103 1HH1 ARG 103 -1.498 8.832 8.832 807 1HH2 ARG 103 1HH2 ARG 103 -3.639 9.956 9.956 808 2HH2 ARG 103 2HH2 ARG 103 -3.274 10.009 10.009 809 H LYS 104 H LYS 104 1.893 7.141 7.141 810 HA LYS 104 HA LYS 104 3.852 5.796 5.796 811 1HB LYS 104 2HB LYS 104 3.096 8.317 8.317 812 2HB LYS 104 1HB LYS 104 4.273 8.543 8.543 813 1HG LYS 104 2HG LYS 104 5.388 6.940 6.940 814 2HG LYS 104 1HG LYS 104 4.749 8.458 8.458 815 1HD LYS 104 2HD LYS 104 6.675 8.193 8.193 816 2HD LYS 104 1HD LYS 104 7.107 8.655 8.655 817 1HE LYS 104 2HE LYS 104 4.945 10.237 10.237 818 2HE LYS 104 1HE LYS 104 6.515 10.404 10.404 819 1HZ LYS 104 2HZ LYS 104 7.261 10.648 10.648 820 2HZ LYS 104 1HZ LYS 104 5.677 11.222 11.222 821 3HZ LYS 104 3HZ LYS 104 6.746 11.972 11.972 822 H ASN 105 H ASN 105 3.183 6.609 6.609 823 HA ASN 105 HA ASN 105 5.926 6.317 6.317 824 1HB ASN 105 2HB ASN 105 3.329 7.006 7.006 825 2HB ASN 105 1HB ASN 105 4.525 6.232 6.232 826 1HD2 ASN 105 1HD2 ASN 105 3.403 9.122 9.122 827 2HD2 ASN 105 2HD2 ASN 105 4.787 10.106 10.106 828 H ILE 106 H ILE 106 3.000 4.376 4.376 829 HA ILE 106 HA ILE 106 3.914 2.274 2.274 830 HB ILE 106 HB ILE 106 1.536 2.588 2.588 831 1HG1 ILE 106 2HG1 ILE 106 1.023 0.185 0.185 832 2HG1 ILE 106 1HG1 ILE 106 2.723 -0.075 -0.075 833 1HG2 ILE 106 1HG2 ILE 106 1.966 3.170 3.170 834 2HG2 ILE 106 3HG2 ILE 106 2.155 1.444 1.444 835 3HG2 ILE 106 2HG2 ILE 106 0.618 2.075 2.075 836 1HD1 ILE 106 3HD1 ILE 106 2.701 1.185 1.185 837 2HD1 ILE 106 2HD1 ILE 106 1.403 -0.007 -0.007 838 3HD1 ILE 106 1HD1 ILE 106 3.044 -0.510 -0.510 839 H CYS 107 H CYS 107 3.866 2.660 2.660 840 HA CYS 107 HA CYS 107 5.010 0.244 0.244 841 1HB CYS 107 2HB CYS 107 4.235 1.687 1.687 842 2HB CYS 107 1HB CYS 107 5.238 3.019 3.019 843 HG CYS 107 HG CYS 107 7.268 1.966 1.966 844 H GLN 108 H GLN 108 6.401 3.110 3.110 845 HA GLN 108 HA GLN 108 9.146 2.397 2.397 846 1HB GLN 108 2HB GLN 108 7.633 4.467 4.467 847 2HB GLN 108 1HB GLN 108 9.282 4.124 4.124 848 1HG GLN 108 2HG GLN 108 8.864 4.564 4.564 849 2HG GLN 108 1HG GLN 108 8.621 5.960 5.960 850 1HE2 GLN 108 2HE2 GLN 108 12.307 4.261 4.261 851 2HE2 GLN 108 1HE2 GLN 108 10.868 3.318 3.318 852 H PHE 109 H PHE 109 6.792 2.152 2.152 853 HA PHE 109 HA PHE 109 8.497 1.103 1.103 854 1HB PHE 109 2HB PHE 109 6.179 2.041 2.041 855 2HB PHE 109 1HB PHE 109 5.545 0.532 0.532 856 HD1 PHE 109 HD2 PHE 109 8.025 1.633 1.633 857 HD2 PHE 109 HD1 PHE 109 4.858 -1.013 -1.013 858 HE1 PHE 109 HE2 PHE 109 8.122 0.641 0.641 859 HE2 PHE 109 HE1 PHE 109 4.948 -2.008 -2.008 860 HZ PHE 109 HZ PHE 109 6.582 -1.181 -1.181 861 H LEU 110 H LEU 110 6.317 -0.520 -0.520 862 HA LEU 110 HA LEU 110 6.800 -3.148 -3.148 863 1HB LEU 110 2HB LEU 110 5.847 -1.826 -1.826 864 2HB LEU 110 1HB LEU 110 6.343 -3.502 -3.502 865 HG LEU 110 HG LEU 110 4.646 -4.228 -4.228 866 1HD1 LEU 110 3HD1 LEU 110 4.132 -1.326 -1.326 867 2HD1 LEU 110 2HD1 LEU 110 3.194 -2.694 -2.694 868 3HD1 LEU 110 1HD1 LEU 110 4.885 -2.511 -2.511 869 1HD2 LEU 110 1HD2 LEU 110 3.921 -3.578 -3.578 870 2HD2 LEU 110 3HD2 LEU 110 2.635 -3.527 -3.527 871 3HD2 LEU 110 2HD2 LEU 110 3.391 -2.031 -2.031 872 H VAL 111 H VAL 111 8.703 -0.971 -0.971 873 HA VAL 111 HA VAL 111 10.525 -3.114 -3.114 874 HB VAL 111 HB VAL 111 10.585 -0.174 -0.174 875 1HG1 VAL 111 1HG1 VAL 111 12.357 -2.464 -2.464 876 2HG1 VAL 111 3HG1 VAL 111 12.023 -1.299 -1.299 877 3HG1 VAL 111 2HG1 VAL 111 12.748 -0.761 -0.761 878 1HG2 VAL 111 3HG2 VAL 111 8.675 -1.798 -1.798 879 2HG2 VAL 111 2HG2 VAL 111 9.405 -0.614 -0.614 880 3HG2 VAL 111 1HG2 VAL 111 9.918 -2.300 -2.300 881 H GLU 112 H GLU 112 10.265 -0.508 -0.508 882 HA GLU 112 HA GLU 112 13.067 -0.326 -0.326 883 1HB GLU 112 2HB GLU 112 10.591 0.725 0.725 884 2HB GLU 112 1HB GLU 112 12.194 0.942 0.942 885 1HG GLU 112 2HG GLU 112 12.043 1.726 1.726 886 2HG GLU 112 1HG GLU 112 10.944 2.633 2.633 887 H ILE 113 H ILE 113 10.280 -1.945 -1.945 888 HA ILE 113 HA ILE 113 12.005 -3.162 -3.162 889 HB ILE 113 HB ILE 113 10.065 -3.802 -3.802 890 1HG1 ILE 113 2HG1 ILE 113 8.511 -3.179 -3.179 891 2HG1 ILE 113 1HG1 ILE 113 8.770 -4.767 -4.767 892 1HG2 ILE 113 3HG2 ILE 113 10.626 -1.306 -1.306 893 2HG2 ILE 113 2HG2 ILE 113 9.177 -1.198 -1.198 894 3HG2 ILE 113 1HG2 ILE 113 9.056 -1.755 -1.755 895 1HD1 ILE 113 3HD1 ILE 113 7.507 -2.868 -2.868 896 2HD1 ILE 113 2HD1 ILE 113 6.568 -3.214 -3.214 897 3HD1 ILE 113 1HD1 ILE 113 7.074 -4.531 -4.531 898 H GLY 114 H GLY 114 11.144 -3.847 -3.847 899 1HA GLY 114 2HA GLY 114 11.392 -5.763 -5.763 900 2HA GLY 114 1HA GLY 114 11.981 -6.567 -6.567 901 H LEU 115 H LEU 115 8.878 -4.960 -4.960 902 HA LEU 115 HA LEU 115 7.506 -7.306 -7.306 903 1HB LEU 115 2HB LEU 115 7.010 -4.668 -4.668 904 2HB LEU 115 1HB LEU 115 5.960 -5.042 -5.042 905 HG LEU 115 HG LEU 115 4.720 -6.627 -6.627 906 1HD1 LEU 115 3HD1 LEU 115 6.920 -6.232 -6.232 907 2HD1 LEU 115 2HD1 LEU 115 5.322 -6.774 -6.774 908 3HD1 LEU 115 1HD1 LEU 115 6.251 -7.732 -7.732 909 1HD2 LEU 115 2HD2 LEU 115 4.511 -4.019 -4.019 910 2HD2 LEU 115 1HD2 LEU 115 3.559 -5.134 -5.134 911 3HD2 LEU 115 3HD2 LEU 115 5.019 -4.400 -4.400 912 H ALA 116 H ALA 116 6.709 -5.285 -5.285 913 HA ALA 116 HA ALA 116 5.707 -7.644 -7.644 914 1HB ALA 116 3HB ALA 116 4.486 -5.416 -5.416 915 2HB ALA 116 2HB ALA 116 5.692 -4.829 -4.829 916 3HB ALA 116 1HB ALA 116 4.638 -6.172 -6.172 917 H LYS 117 H LYS 117 6.147 -6.920 -6.920 918 HA LYS 117 HA LYS 117 9.083 -6.956 -6.956 919 1HB LYS 117 2HB LYS 117 7.144 -8.935 -8.935 920 2HB LYS 117 1HB LYS 117 8.119 -8.351 -8.351 921 1HG LYS 117 2HG LYS 117 9.237 -9.424 -9.424 922 2HG LYS 117 1HG LYS 117 9.036 -10.365 -10.365 923 1HD LYS 117 2HD LYS 117 11.079 -9.687 -9.687 924 2HD LYS 117 1HD LYS 117 10.390 -8.080 -8.080 925 1HE LYS 117 2HE LYS 117 10.776 -7.838 -7.838 926 2HE LYS 117 1HE LYS 117 11.905 -9.172 -9.172 927 1HZ LYS 117 3HZ LYS 117 12.995 -7.809 -7.809 928 2HZ LYS 117 2HZ LYS 117 11.993 -6.514 -6.514 929 3HZ LYS 117 1HZ LYS 117 13.095 -7.132 -7.132 930 H ASP 118 H ASP 118 9.968 -5.915 -5.915 931 HA ASP 118 HA ASP 118 8.714 -3.602 -3.602 932 1HB ASP 118 2HB ASP 118 10.490 -3.335 -3.335 933 2HB ASP 118 1HB ASP 118 11.166 -4.065 -4.065 934 H ASP 119 H ASP 119 8.518 -6.820 -6.820 935 HA ASP 119 HA ASP 119 7.272 -5.998 -5.998 936 1HB ASP 119 2HB ASP 119 8.604 -8.262 -8.262 937 2HB ASP 119 1HB ASP 119 6.927 -8.796 -8.796 938 H GLN 120 H GLN 120 6.284 -6.758 -6.758 939 HA GLN 120 HA GLN 120 3.516 -7.214 -7.214 940 1HB GLN 120 2HB GLN 120 4.732 -7.034 -7.034 941 2HB GLN 120 1HB GLN 120 3.131 -7.639 -7.639 942 1HG GLN 120 2HG GLN 120 4.281 -9.423 -9.423 943 2HG GLN 120 1HG GLN 120 5.787 -8.892 -8.892 944 1HE2 GLN 120 2HE2 GLN 120 4.169 -9.767 -9.767 945 2HE2 GLN 120 1HE2 GLN 120 4.509 -8.258 -8.258 946 H LEU 121 H LEU 121 5.468 -4.562 -4.562 947 HA LEU 121 HA LEU 121 3.949 -2.859 -2.859 948 1HB LEU 121 2HB LEU 121 5.695 -2.259 -2.259 949 2HB LEU 121 1HB LEU 121 4.998 -1.012 -1.012 950 HG LEU 121 HG LEU 121 6.830 -3.178 -3.178 951 1HD1 LEU 121 3HD1 LEU 121 7.399 -0.422 -0.422 952 2HD1 LEU 121 2HD1 LEU 121 8.435 -1.175 -1.175 953 3HD1 LEU 121 1HD1 LEU 121 8.224 -1.938 -1.938 954 1HD2 LEU 121 3HD2 LEU 121 5.337 -0.952 -0.952 955 2HD2 LEU 121 2HD2 LEU 121 5.870 -2.485 -2.485 956 3HD2 LEU 121 1HD2 LEU 121 7.009 -1.149 -1.149 957 H LYS 122 H LYS 122 1.777 -3.038 -3.038 958 HA LYS 122 HA LYS 122 0.748 -2.117 -2.117 959 1HB LYS 122 2HB LYS 122 -0.091 -4.253 -4.253 960 2HB LYS 122 1HB LYS 122 -1.405 -3.265 -3.265 961 1HG LYS 122 2HG LYS 122 0.646 -4.646 -4.646 962 2HG LYS 122 1HG LYS 122 -0.959 -5.283 -5.283 963 1HD LYS 122 2HD LYS 122 -1.998 -3.818 -3.818 964 2HD LYS 122 1HD LYS 122 -0.837 -2.527 -2.527 965 1HE LYS 122 2HE LYS 122 0.825 -3.798 -3.798 966 2HE LYS 122 1HE LYS 122 -0.469 -4.914 -4.914 967 1HZ LYS 122 1HZ LYS 122 -1.643 -2.678 -2.678 968 2HZ LYS 122 3HZ LYS 122 -0.047 -2.139 -2.139 969 3HZ LYS 122 2HZ LYS 122 -0.586 -3.466 -3.466 970 H VAL 123 H VAL 123 0.949 0.094 0.094 971 HA VAL 123 HA VAL 123 -0.730 0.972 0.972 972 HB VAL 123 HB VAL 123 1.547 1.897 1.897 973 1HG1 VAL 123 1HG1 VAL 123 1.233 1.947 1.947 974 2HG1 VAL 123 3HG1 VAL 123 0.858 3.630 3.630 975 3HG1 VAL 123 2HG1 VAL 123 2.411 2.946 2.946 976 1HG2 VAL 123 1HG2 VAL 123 -0.243 3.188 3.188 977 2HG2 VAL 123 3HG2 VAL 123 0.954 4.237 4.237 978 3HG2 VAL 123 2HG2 VAL 123 -0.602 3.961 3.961 979 H HIS 124 H HIS 124 -2.729 1.712 1.712 980 HA HIS 124 HA HIS 124 -3.408 2.832 2.832 981 1HB HIS 124 2HB HIS 124 -5.297 1.150 1.150 982 2HB HIS 124 1HB HIS 124 -5.513 1.708 1.708 983 HD1 HIS 124 HD1 HIS 124 -4.813 0.130 0.130 984 HD2 HIS 124 HD2 HIS 124 -3.129 -0.820 -0.820 985 HE1 HIS 124 HE1 HIS 124 -3.610 -2.048 -2.048 986 HE2 HIS 124 HE2 HIS 124 -2.731 -2.673 -2.673 987 H GLY 125 H GLY 125 -3.041 4.910 4.910 988 1HA GLY 125 2HA GLY 125 -4.451 5.803 5.803 989 2HA GLY 125 1HA GLY 125 -3.755 6.835 6.835 990 H PHE 126 HN PHE 126 -6.548 6.147 6.147 991 HA PHE 126 HA PHE 126 -8.540 5.779 5.779 992 1HB PHE 126 2HB PHE 126 -10.032 6.707 6.707 993 2HB PHE 126 1HB PHE 126 -8.691 6.148 6.148 994 HD1 PHE 126 HD2 PHE 126 -6.729 8.146 8.146 995 HD2 PHE 126 HD1 PHE 126 -10.952 8.639 8.639 996 HE1 PHE 126 HE2 PHE 126 -6.505 10.403 10.403 997 HE2 PHE 126 HE1 PHE 126 -10.736 10.897 10.897 998 HZ PHE 126 HZ PHE 126 -8.510 11.782 11.782 Start of MODEL 14 1 1H MET 1 1H MET 1 24.866 -47.815 -47.815 2 2H MET 1 3H MET 1 24.081 -46.301 -46.301 3 3H MET 1 2H MET 1 25.746 -46.453 -46.453 4 HA MET 1 HA MET 1 24.600 -46.405 -46.405 5 1HB MET 1 2HB MET 1 22.407 -46.958 -46.958 6 2HB MET 1 1HB MET 1 22.886 -48.649 -48.649 7 1HG MET 1 2HG MET 1 22.499 -48.863 -48.863 8 2HG MET 1 1HG MET 1 23.019 -47.219 -47.219 9 1HE MET 1 1HE MET 1 20.956 -48.844 -48.844 10 2HE MET 1 3HE MET 1 19.560 -47.790 -47.790 11 3HE MET 1 2HE MET 1 19.472 -49.137 -49.137 12 H ARG 2 H ARG 2 26.992 -47.354 -47.354 13 HA ARG 2 HA ARG 2 27.045 -50.029 -50.029 14 1HB ARG 2 2HB ARG 2 27.860 -49.800 -49.800 15 2HB ARG 2 1HB ARG 2 29.243 -48.955 -48.955 16 1HG ARG 2 2HG ARG 2 29.332 -51.115 -51.115 17 2HG ARG 2 1HG ARG 2 28.510 -51.821 -51.821 18 1HD ARG 2 2HD ARG 2 30.306 -51.476 -51.476 19 2HD ARG 2 1HD ARG 2 30.944 -50.151 -50.151 20 HE ARG 2 HE ARG 2 32.134 -51.671 -51.671 21 1HH1 ARG 2 2HH1 ARG 2 29.652 -53.363 -53.363 22 2HH1 ARG 2 1HH1 ARG 2 30.239 -54.934 -54.934 23 1HH2 ARG 2 1HH2 ARG 2 32.908 -53.737 -53.737 24 2HH2 ARG 2 2HH2 ARG 2 32.087 -55.147 -55.147 25 H GLY 3 H GLY 3 26.886 -47.848 -47.848 26 1HA GLY 3 2HA GLY 3 29.461 -46.845 -46.845 27 2HA GLY 3 1HA GLY 3 27.966 -46.654 -46.654 28 H SER 4 H SER 4 28.676 -47.169 -47.169 29 HA SER 4 HA SER 4 28.943 -49.915 -49.915 30 1HB SER 4 2HB SER 4 31.288 -49.612 -49.612 31 2HB SER 4 1HB SER 4 31.186 -49.850 -49.850 32 HG SER 4 HG SER 4 31.913 -47.598 -47.598 33 H HIS 5 H HIS 5 27.295 -47.778 -47.778 34 HA HIS 5 HA HIS 5 28.137 -47.365 -47.365 35 1HB HIS 5 2HB HIS 5 26.118 -45.583 -45.583 36 2HB HIS 5 1HB HIS 5 27.812 -45.198 -45.198 37 HD1 HIS 5 HD1 HIS 5 24.895 -46.522 -46.522 38 HD2 HIS 5 HD2 HIS 5 28.205 -44.031 -44.031 39 HE1 HIS 5 HE1 HIS 5 24.794 -45.575 -45.575 40 HE2 HIS 5 HE2 HIS 5 26.858 -44.144 -44.144 41 H HIS 6 H HIS 6 25.539 -48.405 -48.405 42 HA HIS 6 HA HIS 6 23.943 -49.174 -49.174 43 1HB HIS 6 2HB HIS 6 23.286 -48.350 -48.350 44 2HB HIS 6 1HB HIS 6 22.321 -49.682 -49.682 45 HD1 HIS 6 HD1 HIS 6 21.474 -49.032 -49.032 46 HD2 HIS 6 HD2 HIS 6 22.080 -46.000 -46.000 47 HE1 HIS 6 HE1 HIS 6 20.158 -47.066 -47.066 48 HE2 HIS 6 HE2 HIS 6 20.606 -45.219 -45.219 49 H HIS 7 H HIS 7 24.292 -51.181 -51.181 50 HA HIS 7 HA HIS 7 25.483 -53.199 -53.199 51 1HB HIS 7 2HB HIS 7 23.961 -53.463 -53.463 52 2HB HIS 7 1HB HIS 7 25.008 -54.692 -54.692 53 HD1 HIS 7 HD1 HIS 7 25.112 -52.434 -52.434 54 HD2 HIS 7 HD2 HIS 7 27.738 -53.233 -53.233 55 HE1 HIS 7 HE1 HIS 7 27.350 -51.580 -51.580 56 HE2 HIS 7 HE2 HIS 7 28.939 -52.152 -52.152 57 H HIS 8 H HIS 8 24.070 -53.158 -53.158 58 HA HIS 8 HA HIS 8 21.966 -55.135 -55.135 59 1HB HIS 8 2HB HIS 8 21.159 -52.553 -52.553 60 2HB HIS 8 1HB HIS 8 21.092 -52.764 -52.764 61 HD1 HIS 8 HD1 HIS 8 18.744 -52.628 -52.628 62 HD2 HIS 8 HD2 HIS 8 19.835 -55.779 -55.779 63 HE1 HIS 8 HE1 HIS 8 16.734 -54.134 -54.134 64 HE2 HIS 8 HE2 HIS 8 17.443 -56.074 -56.074 65 H HIS 9 H HIS 9 24.562 -55.017 -55.017 66 HA HIS 9 HA HIS 9 24.147 -54.699 -54.699 67 1HB HIS 9 2HB HIS 9 26.333 -54.221 -54.221 68 2HB HIS 9 1HB HIS 9 26.478 -55.916 -55.916 69 HD1 HIS 9 HD1 HIS 9 28.025 -57.091 -57.091 70 HD2 HIS 9 HD2 HIS 9 25.857 -54.168 -54.168 71 HE1 HIS 9 HE1 HIS 9 28.799 -57.202 -57.202 72 HE2 HIS 9 HE2 HIS 9 27.530 -55.371 -55.371 73 H HIS 10 H HIS 10 22.743 -56.131 -56.131 74 HA HIS 10 HA HIS 10 22.554 -58.849 -58.849 75 1HB HIS 10 2HB HIS 10 20.807 -57.303 -57.303 76 2HB HIS 10 1HB HIS 10 21.572 -57.915 -57.915 77 HD1 HIS 10 HD1 HIS 10 20.213 -59.746 -59.746 78 HD2 HIS 10 HD2 HIS 10 20.249 -59.822 -59.822 79 HE1 HIS 10 HE1 HIS 10 18.846 -61.755 -61.755 80 HE2 HIS 10 HE2 HIS 10 18.810 -61.730 -61.730 81 H THR 11 H THR 11 23.281 -60.709 -60.709 82 HA THR 11 HA THR 11 25.781 -60.588 -60.588 83 HB THR 11 HB THR 11 23.880 -62.937 -62.937 84 HG1 THR 11 HG1 THR 11 24.975 -63.472 -63.472 85 1HG2 THR 11 2HG2 THR 11 26.643 -62.621 -62.621 86 2HG2 THR 11 1HG2 THR 11 26.430 -63.862 -63.862 87 3HG2 THR 11 3HG2 THR 11 25.520 -63.953 -63.953 88 H ASP 12 H ASP 12 22.526 -61.274 -61.274 89 HA ASP 12 HA ASP 12 23.481 -60.588 -60.588 90 1HB ASP 12 2HB ASP 12 21.744 -62.980 -62.980 91 2HB ASP 12 1HB ASP 12 22.166 -62.434 -62.434 92 HA PRO 13 HA PRO 13 19.631 -58.261 -58.261 93 1HB PRO 13 2HB PRO 13 20.419 -55.933 -55.933 94 2HB PRO 13 1HB PRO 13 20.866 -56.390 -56.390 95 1HG PRO 13 2HG PRO 13 22.462 -56.608 -56.608 96 2HG PRO 13 1HG PRO 13 22.977 -56.053 -56.053 97 1HD PRO 13 2HD PRO 13 23.498 -58.548 -58.548 98 2HD PRO 13 1HD PRO 13 23.226 -58.200 -58.200 99 H MET 14 H MET 14 21.439 -58.696 -58.696 100 HA MET 14 HA MET 14 19.634 -57.646 -57.646 101 1HB MET 14 2HB MET 14 21.493 -60.009 -60.009 102 2HB MET 14 1HB MET 14 20.709 -59.157 -59.157 103 1HG MET 14 2HG MET 14 21.902 -57.113 -57.113 104 2HG MET 14 1HG MET 14 22.695 -57.977 -57.977 105 1HE MET 14 3HE MET 14 24.083 -60.060 -60.060 106 2HE MET 14 2HE MET 14 23.324 -60.922 -60.922 107 3HE MET 14 1HE MET 14 25.021 -60.454 -60.454 108 H SER 15 H SER 15 19.438 -60.503 -60.503 109 HA SER 15 HA SER 15 17.827 -62.159 -62.159 110 1HB SER 15 2HB SER 15 18.734 -62.946 -62.946 111 2HB SER 15 1HB SER 15 17.857 -61.713 -61.713 112 HG SER 15 HG SER 15 16.944 -64.094 -64.094 113 H ALA 16 H ALA 16 17.022 -59.230 -59.230 114 HA ALA 16 HA ALA 16 14.338 -59.338 -59.338 115 1HB ALA 16 2HB ALA 16 14.990 -59.225 -59.225 116 2HB ALA 16 1HB ALA 16 13.659 -58.221 -58.221 117 3HB ALA 16 3HB ALA 16 13.618 -59.966 -59.966 118 H ILE 17 H ILE 17 15.160 -57.792 -57.792 119 HA ILE 17 HA ILE 17 16.022 -55.216 -55.216 120 HB ILE 17 HB ILE 17 15.657 -56.010 -56.010 121 1HG1 ILE 17 2HG1 ILE 17 18.143 -56.133 -56.133 122 2HG1 ILE 17 1HG1 ILE 17 17.251 -57.518 -57.518 123 1HG2 ILE 17 3HG2 ILE 17 15.915 -53.532 -53.532 124 2HG2 ILE 17 2HG2 ILE 17 17.620 -53.975 -53.975 125 3HG2 ILE 17 1HG2 ILE 17 16.618 -54.042 -54.042 126 1HD1 ILE 17 3HD1 ILE 17 17.763 -56.687 -56.687 127 2HD1 ILE 17 2HD1 ILE 17 18.838 -55.503 -55.503 128 3HD1 ILE 17 1HD1 ILE 17 19.157 -57.227 -57.227 129 H GLN 18 H GLN 18 13.631 -55.350 -55.350 130 HA GLN 18 HA GLN 18 11.736 -54.211 -54.211 131 1HB GLN 18 2HB GLN 18 11.216 -55.014 -55.014 132 2HB GLN 18 1HB GLN 18 10.021 -54.667 -54.667 133 1HG GLN 18 2HG GLN 18 11.190 -56.647 -56.647 134 2HG GLN 18 1HG GLN 18 11.719 -57.080 -57.080 135 1HE2 GLN 18 2HE2 GLN 18 8.216 -57.385 -57.385 136 2HE2 GLN 18 1HE2 GLN 18 9.585 -56.425 -56.425 137 H ASN 19 H ASN 19 10.665 -52.244 -52.244 138 HA ASN 19 HA ASN 19 11.287 -50.593 -50.593 139 1HB ASN 19 2HB ASN 19 13.294 -50.563 -50.563 140 2HB ASN 19 1HB ASN 19 12.267 -49.311 -49.311 141 1HD2 ASN 19 2HD2 ASN 19 14.421 -47.431 -47.431 142 2HD2 ASN 19 1HD2 ASN 19 14.397 -48.200 -48.200 143 H LEU 20 H LEU 20 8.913 -51.494 -51.494 144 HA LEU 20 HA LEU 20 7.715 -49.688 -49.688 145 1HB LEU 20 2HB LEU 20 6.759 -51.739 -51.739 146 2HB LEU 20 1HB LEU 20 5.585 -50.545 -50.545 147 HG LEU 20 HG LEU 20 5.444 -52.540 -52.540 148 1HD1 LEU 20 1HD1 LEU 20 5.476 -49.990 -49.990 149 2HD1 LEU 20 3HD1 LEU 20 6.705 -50.718 -50.718 150 3HD1 LEU 20 2HD1 LEU 20 5.074 -51.388 -51.388 151 1HD2 LEU 20 3HD2 LEU 20 8.370 -52.032 -52.032 152 2HD2 LEU 20 2HD2 LEU 20 7.559 -53.520 -53.520 153 3HD2 LEU 20 1HD2 LEU 20 7.422 -52.946 -52.946 154 H HIS 21 H HIS 21 7.625 -49.801 -49.801 155 HA HIS 21 HA HIS 21 7.501 -46.951 -46.951 156 1HB HIS 21 2HB HIS 21 5.032 -48.308 -48.308 157 2HB HIS 21 1HB HIS 21 5.171 -47.820 -47.820 158 HD1 HIS 21 HD1 HIS 21 5.437 -46.260 -46.260 159 HD2 HIS 21 HD2 HIS 21 4.474 -45.237 -45.237 160 HE1 HIS 21 HE1 HIS 21 4.644 -43.877 -43.877 161 HE2 HIS 21 HE2 HIS 21 3.983 -43.308 -43.308 162 H SER 22 H SER 22 8.662 -46.462 -46.462 163 HA SER 22 HA SER 22 8.586 -48.292 -48.292 164 1HB SER 22 2HB SER 22 11.035 -46.675 -46.675 165 2HB SER 22 1HB SER 22 10.858 -48.335 -48.335 166 HG SER 22 HG SER 22 11.077 -47.351 -47.351 167 H PHE 23 H PHE 23 6.797 -46.255 -46.255 168 HA PHE 23 HA PHE 23 5.980 -44.520 -44.520 169 1HB PHE 23 2HB PHE 23 6.825 -45.789 -45.789 170 2HB PHE 23 1HB PHE 23 8.408 -45.043 -45.043 171 HD1 PHE 23 HD1 PHE 23 4.899 -43.767 -43.767 172 HD2 PHE 23 HD2 PHE 23 8.855 -43.531 -43.531 173 HE1 PHE 23 HE1 PHE 23 4.205 -41.925 -41.925 174 HE2 PHE 23 HE2 PHE 23 8.168 -41.689 -41.689 175 HZ PHE 23 HZ PHE 23 5.841 -40.885 -40.885 176 H ASP 24 H ASP 24 6.049 -42.327 -42.327 177 HA ASP 24 HA ASP 24 7.964 -41.113 -41.113 178 1HB ASP 24 2HB ASP 24 5.778 -40.039 -40.039 179 2HB ASP 24 1HB ASP 24 6.857 -38.953 -38.953 180 HA PRO 25 HA PRO 25 11.171 -40.703 -40.703 181 1HB PRO 25 2HB PRO 25 12.421 -39.113 -39.113 182 2HB PRO 25 1HB PRO 25 13.080 -40.463 -40.463 183 1HG PRO 25 2HG PRO 25 12.321 -40.790 -40.790 184 2HG PRO 25 1HG PRO 25 12.042 -42.056 -42.056 185 1HD PRO 25 2HD PRO 25 10.113 -40.093 -40.093 186 2HD PRO 25 1HD PRO 25 9.870 -41.802 -41.802 187 H PHE 26 H PHE 26 9.686 -38.153 -38.153 188 HA PHE 26 HA PHE 26 10.443 -36.198 -36.198 189 1HB PHE 26 2HB PHE 26 9.382 -35.489 -35.489 190 2HB PHE 26 1HB PHE 26 10.287 -34.477 -34.477 191 HD1 PHE 26 HD1 PHE 26 10.526 -37.267 -37.267 192 HD2 PHE 26 HD2 PHE 26 12.661 -34.500 -34.500 193 HE1 PHE 26 HE1 PHE 26 12.613 -37.869 -37.869 194 HE2 PHE 26 HE2 PHE 26 14.752 -35.096 -35.096 195 HZ PHE 26 HZ PHE 26 14.729 -36.782 -36.782 196 H ALA 27 H ALA 27 7.763 -36.735 -36.735 197 HA ALA 27 HA ALA 27 5.505 -36.576 -36.576 198 1HB ALA 27 1HB ALA 27 5.852 -38.270 -38.270 199 2HB ALA 27 3HB ALA 27 6.064 -36.986 -36.986 200 3HB ALA 27 2HB ALA 27 4.510 -37.192 -37.192 201 H ASP 28 H ASP 28 6.831 -34.188 -34.188 202 HA ASP 28 HA ASP 28 5.097 -32.427 -32.427 203 1HB ASP 28 2HB ASP 28 7.680 -32.662 -32.662 204 2HB ASP 28 1HB ASP 28 7.841 -31.430 -31.430 205 H ALA 29 H ALA 29 3.809 -31.652 -31.652 206 HA ALA 29 HA ALA 29 3.111 -30.528 -30.528 207 1HB ALA 29 1HB ALA 29 5.806 -29.416 -29.416 208 2HB ALA 29 3HB ALA 29 5.085 -29.085 -29.085 209 3HB ALA 29 2HB ALA 29 4.242 -28.606 -28.606 210 H SER 30 H SER 30 4.161 -33.224 -33.224 211 HA SER 30 HA SER 30 5.350 -33.188 -33.188 212 1HB SER 30 2HB SER 30 5.350 -35.801 -35.801 213 2HB SER 30 1HB SER 30 6.633 -34.705 -34.705 214 HG SER 30 HG SER 30 5.640 -36.083 -36.083 215 H LYS 31 H LYS 31 2.530 -34.270 -34.270 216 HA LYS 31 HA LYS 31 1.285 -35.072 -35.072 217 1HB LYS 31 2HB LYS 31 0.793 -36.097 -36.097 218 2HB LYS 31 1HB LYS 31 -0.234 -36.483 -36.483 219 1HG LYS 31 2HG LYS 31 2.122 -37.201 -37.201 220 2HG LYS 31 1HG LYS 31 2.467 -37.458 -37.458 221 1HD LYS 31 2HD LYS 31 0.416 -38.845 -38.845 222 2HD LYS 31 1HD LYS 31 0.201 -38.661 -38.661 223 1HE LYS 31 2HE LYS 31 2.297 -39.779 -39.779 224 2HE LYS 31 1HE LYS 31 2.641 -39.856 -39.856 225 1HZ LYS 31 3HZ LYS 31 0.144 -41.056 -41.056 226 2HZ LYS 31 2HZ LYS 31 1.574 -41.865 -41.865 227 3HZ LYS 31 1HZ LYS 31 1.203 -41.559 -41.559 228 H GLY 32 H GLY 32 0.631 -33.629 -33.629 229 1HA GLY 32 2HA GLY 32 -0.510 -31.402 -31.402 230 2HA GLY 32 1HA GLY 32 -1.650 -32.207 -32.207 231 H ASP 33 H ASP 33 -0.752 -31.565 -31.565 232 HA ASP 33 HA ASP 33 -2.822 -33.375 -33.375 233 1HB ASP 33 2HB ASP 33 -1.854 -32.818 -32.818 234 2HB ASP 33 1HB ASP 33 -0.706 -33.581 -33.581 235 H ASP 34 H ASP 34 -3.667 -31.110 -31.110 236 HA ASP 34 HA ASP 34 -5.191 -29.427 -29.427 237 1HB ASP 34 2HB ASP 34 -6.005 -31.210 -31.210 238 2HB ASP 34 1HB ASP 34 -5.774 -29.782 -29.782 239 H LEU 35 H LEU 35 -3.468 -27.907 -27.907 240 HA LEU 35 HA LEU 35 -2.684 -26.515 -26.515 241 1HB LEU 35 2HB LEU 35 -1.459 -26.654 -26.654 242 2HB LEU 35 1HB LEU 35 -1.010 -25.398 -25.398 243 HG LEU 35 HG LEU 35 -0.856 -28.221 -28.221 244 1HD1 LEU 35 1HD1 LEU 35 0.137 -28.216 -28.216 245 2HD1 LEU 35 3HD1 LEU 35 1.267 -26.977 -26.977 246 3HD1 LEU 35 2HD1 LEU 35 1.291 -28.577 -28.577 247 1HD2 LEU 35 2HD2 LEU 35 0.585 -25.641 -25.641 248 2HD2 LEU 35 1HD2 LEU 35 -0.288 -26.668 -26.668 249 3HD2 LEU 35 3HD2 LEU 35 1.272 -27.187 -27.187 250 H LEU 36 H LEU 36 -4.329 -25.110 -25.110 251 HA LEU 36 HA LEU 36 -5.787 -23.698 -23.698 252 1HB LEU 36 2HB LEU 36 -5.249 -22.975 -22.975 253 2HB LEU 36 1HB LEU 36 -6.482 -22.241 -22.241 254 HG LEU 36 HG LEU 36 -6.429 -25.184 -25.184 255 1HD1 LEU 36 2HD1 LEU 36 -7.772 -22.898 -22.898 256 2HD1 LEU 36 1HD1 LEU 36 -8.311 -24.570 -24.570 257 3HD1 LEU 36 3HD1 LEU 36 -6.690 -24.116 -24.116 258 1HD2 LEU 36 3HD2 LEU 36 -7.671 -24.367 -24.367 259 2HD2 LEU 36 2HD2 LEU 36 -8.646 -25.221 -25.221 260 3HD2 LEU 36 1HD2 LEU 36 -8.712 -23.461 -23.461 261 HA PRO 37 HA PRO 37 -2.757 -20.650 -20.650 262 1HB PRO 37 2HB PRO 37 -4.364 -19.042 -19.042 263 2HB PRO 37 1HB PRO 37 -3.833 -20.626 -20.626 264 1HG PRO 37 2HG PRO 37 -6.438 -19.841 -19.841 265 2HG PRO 37 1HG PRO 37 -6.140 -20.887 -20.887 266 1HD PRO 37 2HD PRO 37 -6.663 -21.855 -21.855 267 2HD PRO 37 1HD PRO 37 -5.646 -22.711 -22.711 268 H ALA 38 H ALA 38 -1.990 -19.127 -19.127 269 HA ALA 38 HA ALA 38 -3.573 -16.847 -16.847 270 1HB ALA 38 1HB ALA 38 -4.335 -18.415 -18.415 271 2HB ALA 38 3HB ALA 38 -2.667 -18.726 -18.726 272 3HB ALA 38 2HB ALA 38 -3.374 -17.128 -17.128 273 H GLY 39 H GLY 39 -2.137 -15.341 -15.341 274 1HA GLY 39 2HA GLY 39 0.611 -15.592 -15.592 275 2HA GLY 39 1HA GLY 39 0.264 -14.920 -14.920 276 H THR 40 H THR 40 -0.372 -14.428 -14.428 277 HA THR 40 HA THR 40 -0.621 -11.545 -11.545 278 HB THR 40 HB THR 40 -1.769 -11.436 -11.436 279 HG1 THR 40 HG1 THR 40 -1.680 -14.265 -14.265 280 1HG2 THR 40 2HG2 THR 40 -2.911 -13.189 -13.189 281 2HG2 THR 40 1HG2 THR 40 -3.812 -12.808 -12.808 282 3HG2 THR 40 3HG2 THR 40 -3.297 -11.513 -11.513 283 H GLU 41 H GLU 41 1.276 -13.950 -13.950 284 HA GLU 41 HA GLU 41 3.238 -13.849 -13.849 285 1HB GLU 41 2HB GLU 41 3.118 -11.319 -11.319 286 2HB GLU 41 1HB GLU 41 4.049 -11.202 -11.202 287 1HG GLU 41 2HG GLU 41 4.570 -13.477 -13.477 288 2HG GLU 41 1HG GLU 41 5.179 -11.876 -11.876 289 H ASP 42 H ASP 42 0.493 -12.923 -12.923 290 HA ASP 42 HA ASP 42 -0.354 -12.270 -12.270 291 1HB ASP 42 2HB ASP 42 2.009 -13.826 -13.826 292 2HB ASP 42 1HB ASP 42 1.843 -12.596 -12.596 293 H TYR 43 H TYR 43 -0.019 -10.079 -10.079 294 HA TYR 43 HA TYR 43 1.977 -8.321 -8.321 295 1HB TYR 43 2HB TYR 43 -0.650 -7.731 -7.731 296 2HB TYR 43 1HB TYR 43 0.600 -6.536 -6.536 297 HD1 TYR 43 HD1 TYR 43 2.756 -8.908 -8.908 298 HD2 TYR 43 HD2 TYR 43 -0.447 -7.015 -7.015 299 HE1 TYR 43 HE1 TYR 43 3.822 -9.453 -9.453 300 HE2 TYR 43 HE2 TYR 43 0.615 -7.558 -7.558 301 HH TYR 43 HH TYR 43 2.382 -9.534 -9.534 302 H ILE 44 H ILE 44 1.491 -6.305 -6.305 303 HA ILE 44 HA ILE 44 -0.414 -6.835 -6.835 304 HB ILE 44 HB ILE 44 2.131 -5.204 -5.204 305 1HG1 ILE 44 2HG1 ILE 44 2.597 -7.575 -7.575 306 2HG1 ILE 44 1HG1 ILE 44 2.882 -6.952 -6.952 307 1HG2 ILE 44 2HG2 ILE 44 0.365 -4.263 -4.263 308 2HG2 ILE 44 1HG2 ILE 44 0.226 -5.822 -5.822 309 3HG2 ILE 44 3HG2 ILE 44 1.725 -4.897 -4.897 310 1HD1 ILE 44 1HD1 ILE 44 0.490 -7.744 -7.744 311 2HD1 ILE 44 3HD1 ILE 44 0.670 -8.698 -8.698 312 3HD1 ILE 44 2HD1 ILE 44 1.775 -8.945 -8.945 313 H HIS 45 H HIS 45 -2.223 -5.776 -5.776 314 HA HIS 45 HA HIS 45 -2.204 -3.253 -3.253 315 1HB HIS 45 2HB HIS 45 -4.062 -5.337 -5.337 316 2HB HIS 45 1HB HIS 45 -4.773 -3.863 -3.863 317 HD1 HIS 45 HD1 HIS 45 -3.712 -5.472 -5.472 318 HD2 HIS 45 HD2 HIS 45 -5.429 -1.917 -1.917 319 HE1 HIS 45 HE1 HIS 45 -4.572 -4.348 -4.348 320 HE2 HIS 45 HE2 HIS 45 -5.524 -2.155 -2.155 321 H ILE 46 H ILE 46 -1.845 -1.386 -1.386 322 HA ILE 46 HA ILE 46 -2.050 -0.992 -0.992 323 HB ILE 46 HB ILE 46 -1.622 1.039 1.039 324 1HG1 ILE 46 2HG1 ILE 46 0.111 -0.765 -0.765 325 2HG1 ILE 46 1HG1 ILE 46 0.723 0.862 0.862 326 1HG2 ILE 46 2HG2 ILE 46 -1.252 1.286 1.286 327 2HG2 ILE 46 1HG2 ILE 46 -0.749 2.486 2.486 328 3HG2 ILE 46 3HG2 ILE 46 -2.461 2.114 2.114 329 1HD1 ILE 46 2HD1 ILE 46 0.256 0.256 0.256 330 2HD1 ILE 46 1HD1 ILE 46 0.407 -1.391 -1.391 331 3HD1 ILE 46 3HD1 ILE 46 1.739 -0.250 -0.250 332 H ARG 47 H ARG 47 -3.393 1.512 1.512 333 HA ARG 47 HA ARG 47 -5.537 2.228 2.228 334 1HB ARG 47 2HB ARG 47 -6.090 -0.325 -0.325 335 2HB ARG 47 1HB ARG 47 -6.801 0.462 0.462 336 1HG ARG 47 2HG ARG 47 -7.473 1.623 1.623 337 2HG ARG 47 1HG ARG 47 -8.127 0.022 0.022 338 1HD ARG 47 2HD ARG 47 -9.568 0.811 0.811 339 2HD ARG 47 1HD ARG 47 -8.379 1.916 1.916 340 HE ARG 47 HE ARG 47 -9.056 3.031 3.031 341 1HH1 ARG 47 2HH1 ARG 47 -10.819 2.034 2.034 342 2HH1 ARG 47 1HH1 ARG 47 -12.057 3.230 3.230 343 1HH2 ARG 47 1HH2 ARG 47 -10.684 4.604 4.604 344 2HH2 ARG 47 2HH2 ARG 47 -11.980 4.689 4.689 345 H ILE 48 H ILE 48 -6.208 4.067 4.067 346 HA ILE 48 HA ILE 48 -5.890 4.604 4.604 347 HB ILE 48 HB ILE 48 -5.597 6.316 6.316 348 1HG1 ILE 48 2HG1 ILE 48 -4.132 6.199 6.199 349 2HG1 ILE 48 1HG1 ILE 48 -3.617 5.433 5.433 350 1HG2 ILE 48 3HG2 ILE 48 -6.447 7.385 7.385 351 2HG2 ILE 48 2HG2 ILE 48 -5.781 8.366 8.366 352 3HG2 ILE 48 1HG2 ILE 48 -7.316 7.528 7.528 353 1HD1 ILE 48 1HD1 ILE 48 -4.012 8.396 8.396 354 2HD1 ILE 48 3HD1 ILE 48 -2.474 7.586 7.586 355 3HD1 ILE 48 2HD1 ILE 48 -3.205 7.522 7.522 356 H GLN 49 H GLN 49 -7.537 5.984 5.984 357 HA GLN 49 HA GLN 49 -10.102 6.101 6.101 358 1HB GLN 49 2HB GLN 49 -11.328 5.064 5.064 359 2HB GLN 49 1HB GLN 49 -10.067 3.961 3.961 360 1HG GLN 49 2HG GLN 49 -8.718 5.074 5.074 361 2HG GLN 49 1HG GLN 49 -10.332 5.456 5.456 362 1HE2 GLN 49 2HE2 GLN 49 -11.235 2.010 2.010 363 2HE2 GLN 49 1HE2 GLN 49 -11.869 3.500 3.500 364 H GLN 50 H GLN 50 -10.302 8.265 8.265 365 HA GLN 50 HA GLN 50 -9.844 9.722 9.722 366 1HB GLN 50 2HB GLN 50 -8.999 10.282 10.282 367 2HB GLN 50 1HB GLN 50 -10.400 11.331 11.331 368 1HG GLN 50 2HG GLN 50 -9.436 12.275 12.275 369 2HG GLN 50 1HG GLN 50 -8.041 11.220 11.220 370 1HE2 GLN 50 2HE2 GLN 50 -6.401 13.767 13.767 371 2HE2 GLN 50 1HE2 GLN 50 -6.457 12.645 12.645 372 H ARG 51 H ARG 51 -11.512 10.375 10.375 373 HA ARG 51 HA ARG 51 -14.199 10.188 10.188 374 1HB ARG 51 2HB ARG 51 -13.486 11.081 11.081 375 2HB ARG 51 1HB ARG 51 -14.981 10.348 10.348 376 1HG ARG 51 2HG ARG 51 -12.450 8.791 8.791 377 2HG ARG 51 1HG ARG 51 -13.238 8.967 8.967 378 1HD ARG 51 2HD ARG 51 -14.424 7.805 7.805 379 2HD ARG 51 1HD ARG 51 -14.010 6.940 6.940 380 HE ARG 51 HE ARG 51 -15.795 8.810 8.810 381 1HH1 ARG 51 2HH1 ARG 51 -15.840 6.359 6.359 382 2HH1 ARG 51 1HH1 ARG 51 -17.553 6.121 6.121 383 1HH2 ARG 51 1HH2 ARG 51 -18.047 8.498 8.498 384 2HH2 ARG 51 2HH2 ARG 51 -18.807 7.335 7.335 385 H ASN 52 H ASN 52 -15.107 11.869 11.869 386 HA ASN 52 HA ASN 52 -15.709 13.993 13.993 387 1HB ASN 52 2HB ASN 52 -15.921 13.981 13.981 388 2HB ASN 52 1HB ASN 52 -14.591 15.128 15.128 389 1HD2 ASN 52 2HD2 ASN 52 -16.558 17.769 17.769 390 2HD2 ASN 52 1HD2 ASN 52 -14.991 17.165 17.165 391 H GLY 53 H GLY 53 -12.900 12.910 12.910 392 1HA GLY 53 2HA GLY 53 -11.030 13.662 13.662 393 2HA GLY 53 1HA GLY 53 -11.802 15.234 15.234 394 H ARG 54 H ARG 54 -11.008 13.449 13.449 395 HA ARG 54 HA ARG 54 -8.752 15.186 15.186 396 1HB ARG 54 2HB ARG 54 -11.075 15.191 15.191 397 2HB ARG 54 1HB ARG 54 -9.602 16.144 16.144 398 1HG ARG 54 2HG ARG 54 -10.304 17.244 17.244 399 2HG ARG 54 1HG ARG 54 -11.866 16.450 16.450 400 1HD ARG 54 2HD ARG 54 -12.189 18.550 18.550 401 2HD ARG 54 1HD ARG 54 -11.856 17.516 17.516 402 HE ARG 54 HE ARG 54 -10.008 18.779 18.779 403 1HH1 ARG 54 2HH1 ARG 54 -10.873 19.181 19.181 404 2HH1 ARG 54 1HH1 ARG 54 -9.650 20.370 20.370 405 1HH2 ARG 54 1HH2 ARG 54 -8.400 20.342 20.342 406 2HH2 ARG 54 2HH2 ARG 54 -8.246 21.029 21.029 407 H LYS 55 H LYS 55 -10.969 13.145 13.145 408 HA LYS 55 HA LYS 55 -8.921 12.029 12.029 409 1HB LYS 55 2HB LYS 55 -11.606 10.782 10.782 410 2HB LYS 55 1HB LYS 55 -10.587 10.482 10.482 411 1HG LYS 55 2HG LYS 55 -11.931 13.097 13.097 412 2HG LYS 55 1HG LYS 55 -12.486 11.922 11.922 413 1HD LYS 55 2HD LYS 55 -11.009 12.621 12.621 414 2HD LYS 55 1HD LYS 55 -9.693 12.684 12.684 415 1HE LYS 55 2HE LYS 55 -10.272 14.860 14.860 416 2HE LYS 55 1HE LYS 55 -11.854 14.770 14.770 417 1HZ LYS 55 3HZ LYS 55 -10.240 14.414 14.414 418 2HZ LYS 55 2HZ LYS 55 -9.269 15.420 15.420 419 3HZ LYS 55 1HZ LYS 55 -10.815 15.928 15.928 420 H THR 56 H THR 56 -7.374 11.521 11.521 421 HA THR 56 HA THR 56 -7.930 9.354 9.354 422 HB THR 56 HB THR 56 -5.114 10.009 10.009 423 HG1 THR 56 HG1 THR 56 -5.609 12.045 12.045 424 1HG2 THR 56 3HG2 THR 56 -6.738 9.233 9.233 425 2HG2 THR 56 2HG2 THR 56 -6.170 10.857 10.857 426 3HG2 THR 56 1HG2 THR 56 -5.008 9.577 9.577 427 H LEU 57 H LEU 57 -7.229 7.256 7.256 428 HA LEU 57 HA LEU 57 -5.654 6.386 6.386 429 1HB LEU 57 2HB LEU 57 -8.513 6.034 6.034 430 2HB LEU 57 1HB LEU 57 -7.700 4.480 4.480 431 HG LEU 57 HG LEU 57 -6.494 5.344 5.344 432 1HD1 LEU 57 3HD1 LEU 57 -8.315 7.588 7.588 433 2HD1 LEU 57 2HD1 LEU 57 -8.224 7.073 7.073 434 3HD1 LEU 57 1HD1 LEU 57 -6.762 7.567 7.567 435 1HD2 LEU 57 3HD2 LEU 57 -9.297 4.489 4.489 436 2HD2 LEU 57 2HD2 LEU 57 -7.981 3.778 3.778 437 3HD2 LEU 57 1HD2 LEU 57 -8.861 5.168 5.168 438 H THR 58 H THR 58 -4.017 5.640 5.640 439 HA THR 58 HA THR 58 -4.457 4.128 4.128 440 HB THR 58 HB THR 58 -1.957 4.432 4.432 441 HG1 THR 58 HG1 THR 58 -3.097 6.329 6.329 442 1HG2 THR 58 1HG2 THR 58 -2.472 3.004 3.004 443 2HG2 THR 58 3HG2 THR 58 -1.140 4.155 4.155 444 3HG2 THR 58 2HG2 THR 58 -1.123 2.878 2.878 445 H THR 59 H THR 59 -4.874 2.020 2.020 446 HA THR 59 HA THR 59 -4.498 0.310 0.310 447 HB THR 59 HB THR 59 -6.044 -1.161 -1.161 448 HG1 THR 59 HG1 THR 59 -6.924 1.529 1.529 449 1HG2 THR 59 1HG2 THR 59 -6.453 0.271 0.271 450 2HG2 THR 59 3HG2 THR 59 -7.900 0.305 0.305 451 3HG2 THR 59 2HG2 THR 59 -7.171 -1.239 -1.239 452 H VAL 60 H VAL 60 -3.852 -1.915 -1.915 453 HA VAL 60 HA VAL 60 -2.165 -2.265 -2.265 454 HB VAL 60 HB VAL 60 -1.484 -3.121 -3.121 455 1HG1 VAL 60 1HG1 VAL 60 -0.726 -4.744 -4.744 456 2HG1 VAL 60 3HG1 VAL 60 0.096 -3.450 -3.450 457 3HG1 VAL 60 2HG1 VAL 60 0.632 -3.900 -3.900 458 1HG2 VAL 60 1HG2 VAL 60 -0.742 -0.807 -0.807 459 2HG2 VAL 60 3HG2 VAL 60 -0.877 -0.939 -0.939 460 3HG2 VAL 60 2HG2 VAL 60 0.553 -1.561 -1.561 461 H GLN 61 H GLN 61 -2.713 -3.973 -3.973 462 HA GLN 61 HA GLN 61 -4.048 -6.232 -6.232 463 1HB GLN 61 2HB GLN 61 -5.227 -4.616 -4.616 464 2HB GLN 61 1HB GLN 61 -4.544 -5.846 -5.846 465 1HG GLN 61 2HG GLN 61 -5.793 -7.154 -7.154 466 2HG GLN 61 1HG GLN 61 -6.910 -5.949 -5.949 467 1HE2 GLN 61 2HE2 GLN 61 -6.594 -7.534 -7.534 468 2HE2 GLN 61 1HE2 GLN 61 -6.136 -6.011 -6.011 469 H GLY 62 H GLY 62 -3.371 -8.270 -8.270 470 1HA GLY 62 2HA GLY 62 -2.315 -9.830 -9.830 471 2HA GLY 62 1HA GLY 62 -1.219 -8.535 -8.535 472 H ILE 63 H ILE 63 -0.975 -7.719 -7.719 473 HA ILE 63 HA ILE 63 1.336 -9.223 -9.223 474 HB ILE 63 HB ILE 63 -0.260 -7.247 -7.247 475 1HG1 ILE 63 2HG1 ILE 63 0.774 -6.038 -6.038 476 2HG1 ILE 63 1HG1 ILE 63 1.971 -5.946 -5.946 477 1HG2 ILE 63 3HG2 ILE 63 1.885 -9.019 -9.019 478 2HG2 ILE 63 2HG2 ILE 63 2.230 -7.319 -7.319 479 3HG2 ILE 63 1HG2 ILE 63 0.768 -8.052 -8.052 480 1HD1 ILE 63 2HD1 ILE 63 2.940 -8.067 -8.067 481 2HD1 ILE 63 1HD1 ILE 63 2.040 -7.446 -7.446 482 3HD1 ILE 63 3HD1 ILE 63 3.280 -6.451 -6.451 483 H ALA 64 H ALA 64 1.738 -10.717 -10.717 484 HA ALA 64 HA ALA 64 -0.541 -12.367 -12.367 485 1HB ALA 64 3HB ALA 64 1.757 -13.158 -13.158 486 2HB ALA 64 2HB ALA 64 2.274 -12.996 -12.996 487 3HB ALA 64 1HB ALA 64 0.954 -14.091 -14.091 488 H ASP 65 H ASP 65 -1.399 -12.588 -12.588 489 HA ASP 65 HA ASP 65 -0.906 -10.705 -10.705 490 1HB ASP 65 2HB ASP 65 -2.307 -12.254 -12.254 491 2HB ASP 65 1HB ASP 65 -3.054 -11.743 -11.743 492 H ASP 66 H ASP 66 0.666 -13.653 -13.653 493 HA ASP 66 HA ASP 66 1.660 -14.380 -14.380 494 1HB ASP 66 2HB ASP 66 1.684 -15.849 -15.849 495 2HB ASP 66 1HB ASP 66 2.962 -14.843 -14.843 496 H TYR 67 H TYR 67 2.518 -11.862 -11.862 497 HA TYR 67 HA TYR 67 5.184 -11.401 -11.401 498 1HB TYR 67 2HB TYR 67 2.931 -9.456 -9.456 499 2HB TYR 67 1HB TYR 67 4.616 -8.969 -8.969 500 HD1 TYR 67 HD2 TYR 67 4.237 -12.203 -12.203 501 HD2 TYR 67 HD1 TYR 67 4.034 -8.034 -8.034 502 HE1 TYR 67 HE2 TYR 67 4.519 -12.656 -12.656 503 HE2 TYR 67 HE1 TYR 67 4.314 -8.468 -8.468 504 HH TYR 67 HH TYR 67 5.405 -10.436 -10.436 505 H ASP 68 H ASP 68 5.750 -9.142 -9.142 506 HA ASP 68 HA ASP 68 5.133 -9.656 -9.656 507 1HB ASP 68 2HB ASP 68 7.178 -7.965 -7.965 508 2HB ASP 68 1HB ASP 68 6.871 -7.761 -7.761 509 H LYS 69 H LYS 69 3.009 -8.918 -8.918 510 HA LYS 69 HA LYS 69 1.826 -6.669 -6.669 511 1HB LYS 69 2HB LYS 69 1.363 -8.475 -8.475 512 2HB LYS 69 1HB LYS 69 0.960 -6.837 -6.837 513 1HG LYS 69 2HG LYS 69 -0.653 -6.607 -6.607 514 2HG LYS 69 1HG LYS 69 -0.065 -8.030 -8.030 515 1HD LYS 69 2HD LYS 69 -1.051 -9.499 -9.499 516 2HD LYS 69 1HD LYS 69 -1.067 -8.323 -8.323 517 1HE LYS 69 2HE LYS 69 -3.139 -7.711 -7.711 518 2HE LYS 69 1HE LYS 69 -2.660 -7.353 -7.353 519 1HZ LYS 69 3HZ LYS 69 -2.851 -9.852 -9.852 520 2HZ LYS 69 2HZ LYS 69 -3.704 -9.886 -9.886 521 3HZ LYS 69 1HZ LYS 69 -4.292 -8.980 -8.980 522 H LYS 70 H LYS 70 4.164 -6.846 -6.846 523 HA LYS 70 HA LYS 70 3.778 -4.131 -4.131 524 1HB LYS 70 2HB LYS 70 6.000 -6.097 -6.097 525 2HB LYS 70 1HB LYS 70 5.821 -4.529 -4.529 526 1HG LYS 70 2HG LYS 70 4.188 -5.244 -5.244 527 2HG LYS 70 1HG LYS 70 3.456 -6.268 -6.268 528 1HD LYS 70 2HD LYS 70 6.042 -6.955 -6.955 529 2HD LYS 70 1HD LYS 70 4.466 -7.472 -7.472 530 1HE LYS 70 2HE LYS 70 5.405 -8.033 -8.033 531 2HE LYS 70 1HE LYS 70 5.726 -9.125 -9.125 532 1HZ LYS 70 2HZ LYS 70 2.991 -8.232 -8.232 533 2HZ LYS 70 1HZ LYS 70 3.693 -9.613 -9.613 534 3HZ LYS 70 3HZ LYS 70 3.444 -9.525 -9.525 535 H LYS 71 H LYS 71 6.388 -5.845 -5.845 536 HA LYS 71 HA LYS 71 7.878 -3.516 -3.516 537 1HB LYS 71 2HB LYS 71 8.646 -5.962 -5.962 538 2HB LYS 71 1HB LYS 71 7.960 -6.042 -6.042 539 1HG LYS 71 2HG LYS 71 9.554 -4.658 -4.658 540 2HG LYS 71 1HG LYS 71 9.888 -3.865 -3.865 541 1HD LYS 71 2HD LYS 71 10.486 -6.744 -6.744 542 2HD LYS 71 1HD LYS 71 11.479 -5.747 -5.747 543 1HE LYS 71 2HE LYS 71 12.355 -4.513 -4.513 544 2HE LYS 71 1HE LYS 71 11.038 -4.951 -4.951 545 1HZ LYS 71 1HZ LYS 71 12.657 -7.157 -7.157 546 2HZ LYS 71 3HZ LYS 71 13.447 -6.076 -6.076 547 3HZ LYS 71 2HZ LYS 71 12.038 -6.862 -6.862 548 H LEU 72 H LEU 72 4.893 -4.356 -4.356 549 HA LEU 72 HA LEU 72 5.395 -3.223 -3.223 550 1HB LEU 72 2HB LEU 72 3.160 -4.860 -4.860 551 2HB LEU 72 1HB LEU 72 2.945 -3.961 -3.961 552 HG LEU 72 HG LEU 72 4.168 -5.418 -5.418 553 1HD1 LEU 72 3HD1 LEU 72 5.906 -5.897 -5.897 554 2HD1 LEU 72 2HD1 LEU 72 6.158 -6.617 -6.617 555 3HD1 LEU 72 1HD1 LEU 72 6.281 -4.868 -4.868 556 1HD2 LEU 72 2HD2 LEU 72 2.642 -6.689 -6.689 557 2HD2 LEU 72 1HD2 LEU 72 3.265 -7.401 -7.401 558 3HD2 LEU 72 3HD2 LEU 72 4.172 -7.563 -7.563 559 H VAL 73 H VAL 73 2.528 -3.085 -3.085 560 HA VAL 73 HA VAL 73 1.995 -0.401 -0.401 561 HB VAL 73 HB VAL 73 0.289 -2.229 -2.229 562 1HG1 VAL 73 3HG1 VAL 73 1.247 -2.667 -2.667 563 2HG1 VAL 73 2HG1 VAL 73 0.781 -1.039 -1.039 564 3HG1 VAL 73 1HG1 VAL 73 -0.458 -2.218 -2.218 565 1HG2 VAL 73 1HG2 VAL 73 -0.217 0.115 0.115 566 2HG2 VAL 73 3HG2 VAL 73 -1.356 -0.561 -0.561 567 3HG2 VAL 73 2HG2 VAL 73 -0.105 0.560 0.560 568 H LYS 74 H LYS 74 3.144 -1.909 -1.909 569 HA LYS 74 HA LYS 74 3.209 0.458 0.458 570 1HB LYS 74 2HB LYS 74 3.729 -2.192 -2.192 571 2HB LYS 74 1HB LYS 74 5.335 -1.481 -1.481 572 1HG LYS 74 2HG LYS 74 3.998 0.283 0.283 573 2HG LYS 74 1HG LYS 74 3.011 -1.151 -1.151 574 1HD LYS 74 2HD LYS 74 4.741 -2.302 -2.302 575 2HD LYS 74 1HD LYS 74 5.984 -1.347 -1.347 576 1HE LYS 74 2HE LYS 74 6.097 -0.538 -0.538 577 2HE LYS 74 1HE LYS 74 5.001 0.615 0.615 578 1HZ LYS 74 2HZ LYS 74 3.156 -0.851 -0.851 579 2HZ LYS 74 1HZ LYS 74 4.323 -1.618 -1.618 580 3HZ LYS 74 3HZ LYS 74 4.012 0.033 0.033 581 H ALA 75 H ALA 75 5.629 -1.149 -1.149 582 HA ALA 75 HA ALA 75 7.728 0.681 0.681 583 1HB ALA 75 3HB ALA 75 8.112 -1.534 -1.534 584 2HB ALA 75 2HB ALA 75 7.218 -1.071 -1.071 585 3HB ALA 75 1HB ALA 75 8.742 -0.272 -0.272 586 H PHE 76 H PHE 76 5.214 0.479 0.479 587 HA PHE 76 HA PHE 76 5.929 2.510 2.510 588 1HB PHE 76 2HB PHE 76 3.829 0.988 0.988 589 2HB PHE 76 1HB PHE 76 3.078 2.276 2.276 590 HD1 PHE 76 HD2 PHE 76 2.605 4.439 4.439 591 HD2 PHE 76 HD1 PHE 76 4.394 1.292 1.292 592 HE1 PHE 76 HE2 PHE 76 2.109 5.643 5.643 593 HE2 PHE 76 HE1 PHE 76 3.902 2.492 2.492 594 HZ PHE 76 HZ PHE 76 2.758 4.670 4.670 595 H LYS 77 H LYS 77 4.103 2.861 2.861 596 HA LYS 77 HA LYS 77 3.809 5.660 5.660 597 1HB LYS 77 2HB LYS 77 3.868 3.886 3.886 598 2HB LYS 77 1HB LYS 77 3.242 5.528 5.528 599 1HG LYS 77 2HG LYS 77 1.259 4.784 4.784 600 2HG LYS 77 1HG LYS 77 1.973 3.974 3.974 601 1HD LYS 77 2HD LYS 77 1.055 2.179 2.179 602 2HD LYS 77 1HD LYS 77 2.663 2.193 2.193 603 1HE LYS 77 2HE LYS 77 1.393 2.050 2.050 604 2HE LYS 77 1HE LYS 77 1.483 3.802 3.802 605 1HZ LYS 77 2HZ LYS 77 -0.749 2.157 2.157 606 2HZ LYS 77 1HZ LYS 77 -0.781 2.938 2.938 607 3HZ LYS 77 3HZ LYS 77 -0.673 3.845 3.845 608 H LYS 78 H LYS 78 6.557 3.762 3.762 609 HA LYS 78 HA LYS 78 7.871 5.909 5.909 610 1HB LYS 78 2HB LYS 78 7.945 3.273 3.273 611 2HB LYS 78 1HB LYS 78 9.301 3.391 3.391 612 1HG LYS 78 2HG LYS 78 10.616 4.396 4.396 613 2HG LYS 78 1HG LYS 78 9.305 5.399 5.399 614 1HD LYS 78 2HD LYS 78 9.508 4.084 4.084 615 2HD LYS 78 1HD LYS 78 8.527 2.962 2.962 616 1HE LYS 78 2HE LYS 78 10.501 1.877 1.877 617 2HE LYS 78 1HE LYS 78 10.516 1.820 1.820 618 1HZ LYS 78 3HZ LYS 78 11.859 4.102 4.102 619 2HZ LYS 78 2HZ LYS 78 12.590 2.605 2.605 620 3HZ LYS 78 1HZ LYS 78 12.330 3.116 3.116 621 H LYS 79 H LYS 79 7.681 4.557 4.557 622 HA LYS 79 HA LYS 79 10.218 5.761 5.761 623 1HB LYS 79 2HB LYS 79 9.597 3.419 3.419 624 2HB LYS 79 1HB LYS 79 8.327 4.120 4.120 625 1HG LYS 79 2HG LYS 79 10.442 5.543 5.543 626 2HG LYS 79 1HG LYS 79 11.236 4.029 4.029 627 1HD LYS 79 2HD LYS 79 8.944 3.235 3.235 628 2HD LYS 79 1HD LYS 79 9.519 4.638 4.638 629 1HE LYS 79 2HE LYS 79 10.515 2.652 2.652 630 2HE LYS 79 1HE LYS 79 11.761 3.597 3.597 631 1HZ LYS 79 3HZ LYS 79 11.218 2.076 2.076 632 2HZ LYS 79 2HZ LYS 79 10.537 1.050 1.050 633 3HZ LYS 79 1HZ LYS 79 12.174 1.467 1.467 634 H PHE 80 H PHE 80 6.752 6.074 6.074 635 HA PHE 80 HA PHE 80 7.270 8.445 8.445 636 1HB PHE 80 2HB PHE 80 4.704 6.862 6.862 637 2HB PHE 80 1HB PHE 80 5.199 8.080 8.080 638 HD1 PHE 80 HD1 PHE 80 6.800 7.558 7.558 639 HD2 PHE 80 HD2 PHE 80 5.573 4.614 4.614 640 HE1 PHE 80 HE1 PHE 80 7.743 5.797 5.797 641 HE2 PHE 80 HE2 PHE 80 6.512 2.847 2.847 642 HZ PHE 80 HZ PHE 80 7.599 3.439 3.439 643 H ALA 81 H ALA 81 5.947 7.340 7.340 644 HA ALA 81 HA ALA 81 5.055 8.489 8.489 645 1HB ALA 81 3HB ALA 81 6.588 10.353 10.353 646 2HB ALA 81 2HB ALA 81 5.049 11.067 11.067 647 3HB ALA 81 1HB ALA 81 5.384 10.755 10.755 648 H CYS 82 H CYS 82 3.492 7.306 7.306 649 HA CYS 82 HA CYS 82 1.099 9.011 9.011 650 1HB CYS 82 2HB CYS 82 1.675 6.581 6.581 651 2HB CYS 82 1HB CYS 82 0.299 7.666 7.666 652 HG CYS 82 HG CYS 82 2.991 8.078 8.078 653 H ASN 83 H ASN 83 -0.980 7.486 7.486 654 HA ASN 83 HA ASN 83 -0.804 5.700 5.700 655 1HB ASN 83 2HB ASN 83 -2.338 7.271 7.271 656 2HB ASN 83 1HB ASN 83 -2.860 7.631 7.631 657 1HD2 ASN 83 2HD2 ASN 83 -5.302 5.088 5.088 658 2HD2 ASN 83 1HD2 ASN 83 -4.187 5.988 5.988 659 H GLY 84 H GLY 84 -0.881 3.604 3.604 660 1HA GLY 84 2HA GLY 84 -2.317 2.796 2.796 661 2HA GLY 84 1HA GLY 84 -0.901 1.968 1.968 662 H THR 85 H THR 85 -3.910 1.368 1.368 663 HA THR 85 HA THR 85 -4.338 -0.034 -0.034 664 HB THR 85 HB THR 85 -6.731 0.183 0.183 665 HG1 THR 85 HG1 THR 85 -6.832 0.147 0.147 666 1HG2 THR 85 3HG2 THR 85 -5.221 2.224 2.224 667 2HG2 THR 85 2HG2 THR 85 -5.955 2.957 2.957 668 3HG2 THR 85 1HG2 THR 85 -6.976 2.326 2.326 669 H VAL 86 H VAL 86 -5.852 -1.969 -1.969 670 HA VAL 86 HA VAL 86 -5.129 -3.393 -3.393 671 HB VAL 86 HB VAL 86 -3.947 -4.286 -4.286 672 1HG1 VAL 86 1HG1 VAL 86 -6.217 -3.714 -3.714 673 2HG1 VAL 86 3HG1 VAL 86 -6.292 -5.471 -5.471 674 3HG1 VAL 86 2HG1 VAL 86 -4.876 -4.701 -4.701 675 1HG2 VAL 86 2HG2 VAL 86 -4.955 -5.721 -5.721 676 2HG2 VAL 86 1HG2 VAL 86 -4.280 -6.520 -6.520 677 3HG2 VAL 86 3HG2 VAL 86 -6.026 -6.331 -6.331 678 H ILE 87 H ILE 87 -7.162 -2.557 -2.557 679 HA ILE 87 HA ILE 87 -9.638 -3.493 -3.493 680 HB ILE 87 HB ILE 87 -10.729 -2.435 -2.435 681 1HG1 ILE 87 2HG1 ILE 87 -8.377 -1.044 -1.044 682 2HG1 ILE 87 1HG1 ILE 87 -8.251 -2.784 -2.784 683 1HG2 ILE 87 2HG2 ILE 87 -8.684 -0.693 -0.693 684 2HG2 ILE 87 1HG2 ILE 87 -10.126 -0.121 -0.121 685 3HG2 ILE 87 3HG2 ILE 87 -10.285 -1.106 -1.106 686 1HD1 ILE 87 2HD1 ILE 87 -10.863 -1.835 -1.835 687 2HD1 ILE 87 1HD1 ILE 87 -9.594 -0.962 -0.962 688 3HD1 ILE 87 3HD1 ILE 87 -9.670 -2.722 -2.722 689 H GLU 88 H GLU 88 -11.140 -4.871 -4.871 690 HA GLU 88 HA GLU 88 -9.857 -6.820 -6.820 691 1HB GLU 88 2HB GLU 88 -10.959 -7.407 -7.407 692 2HB GLU 88 1HB GLU 88 -12.440 -7.398 -7.398 693 1HG GLU 88 2HG GLU 88 -11.690 -9.150 -9.150 694 2HG GLU 88 1HG GLU 88 -10.032 -8.995 -8.995 695 H HIS 89 H HIS 89 -10.300 -5.174 -5.174 696 HA HIS 89 HA HIS 89 -12.722 -4.244 -4.244 697 1HB HIS 89 2HB HIS 89 -10.256 -4.078 -4.078 698 2HB HIS 89 1HB HIS 89 -10.887 -5.287 -5.287 699 HD1 HIS 89 HD1 HIS 89 -12.038 -4.384 -4.384 700 HD2 HIS 89 HD2 HIS 89 -11.971 -1.646 -1.646 701 HE1 HIS 89 HE1 HIS 89 -13.077 -2.291 -2.291 702 HE2 HIS 89 HE2 HIS 89 -13.102 -0.671 -0.671 703 HA PRO 90 HA PRO 90 -14.998 -7.868 -7.868 704 1HB PRO 90 2HB PRO 90 -17.053 -6.694 -6.694 705 2HB PRO 90 1HB PRO 90 -16.846 -6.559 -6.559 706 1HG PRO 90 2HG PRO 90 -16.164 -4.589 -4.589 707 2HG PRO 90 1HG PRO 90 -16.915 -4.307 -4.307 708 1HD PRO 90 2HD PRO 90 -14.254 -3.892 -3.892 709 2HD PRO 90 1HD PRO 90 -14.899 -4.260 -4.260 710 H GLU 91 H GLU 91 -13.840 -5.512 -5.512 711 HA GLU 91 HA GLU 91 -14.514 -7.018 -7.018 712 1HB GLU 91 2HB GLU 91 -13.577 -4.395 -4.395 713 2HB GLU 91 1HB GLU 91 -12.476 -5.122 -5.122 714 1HG GLU 91 2HG GLU 91 -14.294 -3.825 -3.825 715 2HG GLU 91 1HG GLU 91 -14.262 -5.516 -5.516 716 H TYR 92 H TYR 92 -11.882 -6.889 -6.889 717 HA TYR 92 HA TYR 92 -10.300 -8.640 -8.640 718 1HB TYR 92 2HB TYR 92 -9.063 -7.123 -7.123 719 2HB TYR 92 1HB TYR 92 -8.323 -7.697 -7.697 720 HD1 TYR 92 HD2 TYR 92 -10.183 -6.617 -6.617 721 HD2 TYR 92 HD1 TYR 92 -8.624 -4.826 -4.826 722 HE1 TYR 92 HE2 TYR 92 -10.487 -4.393 -4.393 723 HE2 TYR 92 HE1 TYR 92 -8.921 -2.596 -2.596 724 HH TYR 92 HH TYR 92 -9.060 -1.817 -1.817 725 H GLY 93 H GLY 93 -11.047 -7.959 -7.959 726 1HA GLY 93 2HA GLY 93 -11.876 -9.812 -9.812 727 2HA GLY 93 1HA GLY 93 -10.745 -10.854 -10.854 728 H GLU 94 H GLU 94 -8.758 -8.495 -8.495 729 HA GLU 94 HA GLU 94 -8.221 -8.089 -8.089 730 1HB GLU 94 2HB GLU 94 -7.405 -10.660 -10.660 731 2HB GLU 94 1HB GLU 94 -6.006 -9.732 -9.732 732 1HG GLU 94 2HG GLU 94 -6.830 -9.538 -9.538 733 2HG GLU 94 1HG GLU 94 -8.426 -10.123 -10.123 734 H VAL 95 H VAL 95 -7.347 -6.133 -6.133 735 HA VAL 95 HA VAL 95 -4.867 -5.856 -5.856 736 HB VAL 95 HB VAL 95 -5.684 -3.838 -3.838 737 1HG1 VAL 95 1HG1 VAL 95 -5.537 -6.305 -6.305 738 2HG1 VAL 95 3HG1 VAL 95 -7.294 -6.165 -6.165 739 3HG1 VAL 95 2HG1 VAL 95 -6.280 -5.051 -5.051 740 1HG2 VAL 95 3HG2 VAL 95 -7.759 -3.679 -3.679 741 2HG2 VAL 95 2HG2 VAL 95 -7.951 -3.330 -3.330 742 3HG2 VAL 95 1HG2 VAL 95 -8.457 -4.892 -4.892 743 H ILE 96 H ILE 96 -3.642 -4.075 -4.075 744 HA ILE 96 HA ILE 96 -4.328 -2.992 -2.992 745 HB ILE 96 HB ILE 96 -1.933 -2.918 -2.918 746 1HG1 ILE 96 2HG1 ILE 96 -2.662 -4.346 -4.346 747 2HG1 ILE 96 1HG1 ILE 96 -1.003 -4.126 -4.126 748 1HG2 ILE 96 1HG2 ILE 96 -2.458 -0.846 -0.846 749 2HG2 ILE 96 3HG2 ILE 96 -0.865 -1.198 -1.198 750 3HG2 ILE 96 2HG2 ILE 96 -2.141 -0.571 -0.571 751 1HD1 ILE 96 3HD1 ILE 96 -2.415 -2.465 -2.465 752 2HD1 ILE 96 2HD1 ILE 96 -1.224 -3.727 -3.727 753 3HD1 ILE 96 1HD1 ILE 96 -0.748 -2.253 -2.253 754 H GLN 97 H GLN 97 -4.434 -0.687 -0.687 755 HA GLN 97 HA GLN 97 -5.277 0.910 0.910 756 1HB GLN 97 2HB GLN 97 -6.922 -0.002 -0.002 757 2HB GLN 97 1HB GLN 97 -6.684 1.717 1.717 758 1HG GLN 97 2HG GLN 97 -7.370 2.090 2.090 759 2HG GLN 97 1HG GLN 97 -7.826 0.387 0.387 760 1HE2 GLN 97 2HE2 GLN 97 -10.992 1.703 1.703 761 2HE2 GLN 97 1HE2 GLN 97 -9.957 1.200 1.200 762 H LEU 98 H LEU 98 -3.456 2.162 2.162 763 HA LEU 98 HA LEU 98 -2.353 3.436 3.436 764 1HB LEU 98 2HB LEU 98 -1.671 4.028 4.028 765 2HB LEU 98 1HB LEU 98 -0.699 4.341 4.341 766 HG LEU 98 HG LEU 98 -1.424 1.527 1.527 767 1HD1 LEU 98 1HD1 LEU 98 -0.316 3.000 3.000 768 2HD1 LEU 98 3HD1 LEU 98 1.142 2.615 2.615 769 3HD1 LEU 98 2HD1 LEU 98 0.130 1.317 1.317 770 1HD2 LEU 98 2HD2 LEU 98 0.576 2.938 2.938 771 2HD2 LEU 98 1HD2 LEU 98 -0.364 1.483 1.483 772 3HD2 LEU 98 3HD2 LEU 98 1.040 1.400 1.400 773 H GLN 99 H GLN 99 -2.148 5.776 5.776 774 HA GLN 99 HA GLN 99 -4.608 7.091 7.091 775 1HB GLN 99 2HB GLN 99 -3.038 7.185 7.185 776 2HB GLN 99 1HB GLN 99 -3.005 8.788 8.788 777 1HG GLN 99 2HG GLN 99 -5.662 7.596 7.596 778 2HG GLN 99 1HG GLN 99 -4.959 7.807 7.807 779 1HE2 GLN 99 1HE2 GLN 99 -6.125 9.391 9.391 780 2HE2 GLN 99 2HE2 GLN 99 -6.165 10.990 10.990 781 H GLY 100 H GLY 100 -4.674 8.966 8.966 782 1HA GLY 100 2HA GLY 100 -3.905 10.693 10.693 783 2HA GLY 100 1HA GLY 100 -2.277 10.366 10.366 784 H ASP 101 H ASP 101 -2.449 11.003 11.003 785 HA ASP 101 HA ASP 101 -2.848 8.712 8.712 786 1HB ASP 101 2HB ASP 101 -1.832 10.208 10.208 787 2HB ASP 101 1HB ASP 101 -3.284 10.834 10.834 788 H GLN 102 H GLN 102 -1.423 7.246 7.246 789 HA GLN 102 HA GLN 102 1.432 7.732 7.732 790 1HB GLN 102 2HB GLN 102 -0.330 5.837 5.837 791 2HB GLN 102 1HB GLN 102 1.207 5.170 5.170 792 1HG GLN 102 2HG GLN 102 1.059 6.164 6.164 793 2HG GLN 102 1HG GLN 102 2.439 6.601 6.601 794 1HE2 GLN 102 2HE2 GLN 102 -0.477 9.455 9.455 795 2HE2 GLN 102 1HE2 GLN 102 -0.873 7.811 7.811 796 H ARG 103 H ARG 103 -0.648 7.055 7.055 797 HA ARG 103 HA ARG 103 -0.173 4.664 4.664 798 1HB ARG 103 2HB ARG 103 -1.746 6.175 6.175 799 2HB ARG 103 1HB ARG 103 -0.526 7.415 7.415 800 1HG ARG 103 2HG ARG 103 0.557 5.647 5.647 801 2HG ARG 103 1HG ARG 103 -1.070 4.966 4.966 802 1HD ARG 103 2HD ARG 103 -1.645 7.561 7.561 803 2HD ARG 103 1HD ARG 103 -0.047 7.488 7.488 804 HE ARG 103 HE ARG 103 -2.448 6.468 6.468 805 1HH1 ARG 103 2HH1 ARG 103 0.944 5.710 5.710 806 2HH1 ARG 103 1HH1 ARG 103 0.989 4.767 4.767 807 1HH2 ARG 103 1HH2 ARG 103 -2.392 5.230 5.230 808 2HH2 ARG 103 2HH2 ARG 103 -0.904 4.494 4.494 809 H LYS 104 H LYS 104 1.995 7.386 7.386 810 HA LYS 104 HA LYS 104 3.946 6.069 6.069 811 1HB LYS 104 2HB LYS 104 3.251 8.616 8.616 812 2HB LYS 104 1HB LYS 104 4.436 8.737 8.737 813 1HG LYS 104 2HG LYS 104 6.054 7.581 7.581 814 2HG LYS 104 1HG LYS 104 4.867 7.890 7.890 815 1HD LYS 104 2HD LYS 104 5.617 10.180 10.180 816 2HD LYS 104 1HD LYS 104 6.842 9.596 9.596 817 1HE LYS 104 2HE LYS 104 4.391 9.710 9.710 818 2HE LYS 104 1HE LYS 104 4.551 11.223 11.223 819 1HZ LYS 104 3HZ LYS 104 6.939 10.325 10.325 820 2HZ LYS 104 2HZ LYS 104 5.656 10.781 10.781 821 3HZ LYS 104 1HZ LYS 104 6.278 11.878 11.878 822 H ASN 105 H ASN 105 3.270 6.726 6.726 823 HA ASN 105 HA ASN 105 6.004 6.311 6.311 824 1HB ASN 105 2HB ASN 105 3.418 6.975 6.975 825 2HB ASN 105 1HB ASN 105 4.694 6.252 6.252 826 1HD2 ASN 105 2HD2 ASN 105 4.767 10.129 10.129 827 2HD2 ASN 105 1HD2 ASN 105 3.409 9.092 9.092 828 H ILE 106 H ILE 106 2.988 4.489 4.489 829 HA ILE 106 HA ILE 106 3.837 2.322 2.322 830 HB ILE 106 HB ILE 106 1.471 2.761 2.761 831 1HG1 ILE 106 2HG1 ILE 106 0.825 0.415 0.415 832 2HG1 ILE 106 1HG1 ILE 106 2.445 0.024 0.024 833 1HG2 ILE 106 2HG2 ILE 106 1.882 3.309 3.309 834 2HG2 ILE 106 1HG2 ILE 106 2.076 1.584 1.584 835 3HG2 ILE 106 3HG2 ILE 106 0.534 2.208 2.208 836 1HD1 ILE 106 2HD1 ILE 106 2.442 1.342 1.342 837 2HD1 ILE 106 1HD1 ILE 106 1.545 -0.175 -0.175 838 3HD1 ILE 106 3HD1 ILE 106 3.233 -0.146 -0.146 839 H CYS 107 H CYS 107 3.809 2.737 2.737 840 HA CYS 107 HA CYS 107 4.862 0.256 0.256 841 1HB CYS 107 2HB CYS 107 5.647 1.342 1.342 842 2HB CYS 107 1HB CYS 107 4.024 1.888 1.888 843 HG CYS 107 HG CYS 107 5.133 4.134 4.134 844 H GLN 108 H GLN 108 6.358 3.106 3.106 845 HA GLN 108 HA GLN 108 9.072 2.348 2.348 846 1HB GLN 108 2HB GLN 108 7.646 4.412 4.412 847 2HB GLN 108 1HB GLN 108 9.305 4.035 4.035 848 1HG GLN 108 2HG GLN 108 8.815 4.524 4.524 849 2HG GLN 108 1HG GLN 108 8.595 5.907 5.907 850 1HE2 GLN 108 2HE2 GLN 108 12.289 4.207 4.207 851 2HE2 GLN 108 1HE2 GLN 108 10.855 3.258 3.258 852 H PHE 109 H PHE 109 6.814 2.114 2.114 853 HA PHE 109 HA PHE 109 8.553 1.010 1.010 854 1HB PHE 109 2HB PHE 109 6.287 1.970 1.970 855 2HB PHE 109 1HB PHE 109 5.578 0.529 0.529 856 HD1 PHE 109 HD2 PHE 109 8.190 1.320 1.320 857 HD2 PHE 109 HD1 PHE 109 4.796 -1.013 -1.013 858 HE1 PHE 109 HE2 PHE 109 8.274 0.201 0.201 859 HE2 PHE 109 HE1 PHE 109 4.872 -2.134 -2.134 860 HZ PHE 109 HZ PHE 109 6.613 -1.526 -1.526 861 H LEU 110 H LEU 110 6.323 -0.547 -0.547 862 HA LEU 110 HA LEU 110 6.783 -3.193 -3.193 863 1HB LEU 110 2HB LEU 110 5.861 -1.864 -1.864 864 2HB LEU 110 1HB LEU 110 6.204 -3.582 -3.582 865 HG LEU 110 HG LEU 110 4.467 -4.059 -4.059 866 1HD1 LEU 110 1HD1 LEU 110 4.946 -2.184 -2.184 867 2HD1 LEU 110 3HD1 LEU 110 4.104 -1.100 -1.100 868 3HD1 LEU 110 2HD1 LEU 110 3.225 -2.407 -2.407 869 1HD2 LEU 110 3HD2 LEU 110 3.761 -3.505 -3.505 870 2HD2 LEU 110 2HD2 LEU 110 2.507 -3.229 -3.229 871 3HD2 LEU 110 1HD2 LEU 110 3.407 -1.866 -1.866 872 H VAL 111 H VAL 111 8.668 -1.009 -1.009 873 HA VAL 111 HA VAL 111 10.441 -3.159 -3.159 874 HB VAL 111 HB VAL 111 10.545 -0.208 -0.208 875 1HG1 VAL 111 3HG1 VAL 111 12.091 -2.577 -2.577 876 2HG1 VAL 111 2HG1 VAL 111 11.961 -1.074 -1.074 877 3HG1 VAL 111 1HG1 VAL 111 12.708 -1.074 -1.074 878 1HG2 VAL 111 3HG2 VAL 111 8.512 -1.535 -1.535 879 2HG2 VAL 111 2HG2 VAL 111 9.426 -0.653 -0.653 880 3HG2 VAL 111 1HG2 VAL 111 9.632 -2.396 -2.396 881 H GLU 112 H GLU 112 10.270 -0.592 -0.592 882 HA GLU 112 HA GLU 112 13.089 -0.455 -0.455 883 1HB GLU 112 2HB GLU 112 10.678 0.612 0.612 884 2HB GLU 112 1HB GLU 112 12.317 0.829 0.829 885 1HG GLU 112 2HG GLU 112 12.163 1.606 1.606 886 2HG GLU 112 1HG GLU 112 10.926 2.437 2.437 887 H ILE 113 H ILE 113 10.325 -2.069 -2.069 888 HA ILE 113 HA ILE 113 12.091 -3.305 -3.305 889 HB ILE 113 HB ILE 113 10.185 -3.945 -3.945 890 1HG1 ILE 113 2HG1 ILE 113 8.567 -3.337 -3.337 891 2HG1 ILE 113 1HG1 ILE 113 8.844 -4.919 -4.919 892 1HG2 ILE 113 2HG2 ILE 113 10.718 -1.391 -1.391 893 2HG2 ILE 113 1HG2 ILE 113 9.102 -1.395 -1.395 894 3HG2 ILE 113 3HG2 ILE 113 9.335 -1.909 -1.909 895 1HD1 ILE 113 3HD1 ILE 113 7.676 -3.154 -3.154 896 2HD1 ILE 113 2HD1 ILE 113 6.708 -3.187 -3.187 897 3HD1 ILE 113 1HD1 ILE 113 7.077 -4.689 -4.689 898 H GLY 114 H GLY 114 11.170 -3.960 -3.960 899 1HA GLY 114 2HA GLY 114 11.424 -5.865 -5.865 900 2HA GLY 114 1HA GLY 114 11.995 -6.691 -6.691 901 H LEU 115 H LEU 115 8.912 -5.053 -5.053 902 HA LEU 115 HA LEU 115 7.530 -7.435 -7.435 903 1HB LEU 115 2HB LEU 115 7.071 -4.784 -4.784 904 2HB LEU 115 1HB LEU 115 5.955 -5.128 -5.128 905 HG LEU 115 HG LEU 115 4.790 -6.754 -6.754 906 1HD1 LEU 115 1HD1 LEU 115 7.114 -6.437 -6.437 907 2HD1 LEU 115 3HD1 LEU 115 5.542 -6.932 -6.932 908 3HD1 LEU 115 2HD1 LEU 115 6.346 -7.908 -7.908 909 1HD2 LEU 115 2HD2 LEU 115 4.583 -4.160 -4.160 910 2HD2 LEU 115 1HD2 LEU 115 3.694 -5.310 -5.310 911 3HD2 LEU 115 3HD2 LEU 115 5.183 -4.583 -4.583 912 H ALA 116 H ALA 116 6.745 -5.239 -5.239 913 HA ALA 116 HA ALA 116 5.736 -7.526 -7.526 914 1HB ALA 116 3HB ALA 116 4.522 -5.251 -5.251 915 2HB ALA 116 2HB ALA 116 5.596 -4.701 -4.701 916 3HB ALA 116 1HB ALA 116 4.489 -6.041 -6.041 917 H LYS 117 H LYS 117 6.220 -7.519 -7.519 918 HA LYS 117 HA LYS 117 9.096 -7.079 -7.079 919 1HB LYS 117 2HB LYS 117 7.291 -9.160 -9.160 920 2HB LYS 117 1HB LYS 117 8.002 -8.454 -8.454 921 1HG LYS 117 2HG LYS 117 9.301 -10.350 -10.350 922 2HG LYS 117 1HG LYS 117 10.233 -8.855 -8.855 923 1HD LYS 117 2HD LYS 117 8.714 -9.509 -9.509 924 2HD LYS 117 1HD LYS 117 9.996 -10.653 -10.653 925 1HE LYS 117 2HE LYS 117 10.996 -8.011 -8.011 926 2HE LYS 117 1HE LYS 117 10.219 -8.102 -8.102 927 1HZ LYS 117 1HZ LYS 117 11.612 -10.370 -10.370 928 2HZ LYS 117 3HZ LYS 117 12.626 -9.409 -9.409 929 3HZ LYS 117 2HZ LYS 117 12.212 -8.911 -8.911 930 H ASP 118 H ASP 118 9.909 -6.047 -6.047 931 HA ASP 118 HA ASP 118 8.590 -3.725 -3.725 932 1HB ASP 118 2HB ASP 118 10.282 -3.475 -3.475 933 2HB ASP 118 1HB ASP 118 11.021 -4.060 -4.060 934 H ASP 119 H ASP 119 8.381 -6.938 -6.938 935 HA ASP 119 HA ASP 119 7.051 -6.146 -6.146 936 1HB ASP 119 2HB ASP 119 8.046 -8.632 -8.632 937 2HB ASP 119 1HB ASP 119 6.508 -8.834 -8.834 938 H GLN 120 H GLN 120 6.168 -6.786 -6.786 939 HA GLN 120 HA GLN 120 3.367 -7.234 -7.234 940 1HB GLN 120 2HB GLN 120 4.607 -7.057 -7.057 941 2HB GLN 120 1HB GLN 120 3.043 -7.736 -7.736 942 1HG GLN 120 2HG GLN 120 4.313 -9.449 -9.449 943 2HG GLN 120 1HG GLN 120 5.766 -8.860 -8.860 944 1HE2 GLN 120 2HE2 GLN 120 4.077 -9.828 -9.828 945 2HE2 GLN 120 1HE2 GLN 120 4.400 -8.306 -8.306 946 H LEU 121 H LEU 121 5.351 -4.627 -4.627 947 HA LEU 121 HA LEU 121 3.974 -2.898 -2.898 948 1HB LEU 121 2HB LEU 121 5.788 -2.484 -2.484 949 2HB LEU 121 1HB LEU 121 4.994 -1.108 -1.108 950 HG LEU 121 HG LEU 121 6.704 -3.040 -3.040 951 1HD1 LEU 121 1HD1 LEU 121 7.498 -0.425 -0.425 952 2HD1 LEU 121 3HD1 LEU 121 8.481 -1.353 -1.353 953 3HD1 LEU 121 2HD1 LEU 121 8.084 -2.028 -2.028 954 1HD2 LEU 121 2HD2 LEU 121 5.290 -0.487 -0.487 955 2HD2 LEU 121 1HD2 LEU 121 5.501 -1.916 -1.916 956 3HD2 LEU 121 3HD2 LEU 121 6.835 -0.783 -0.783 957 H LYS 122 H LYS 122 1.747 -3.424 -3.424 958 HA LYS 122 HA LYS 122 0.696 -2.237 -2.237 959 1HB LYS 122 2HB LYS 122 -0.183 -4.398 -4.398 960 2HB LYS 122 1HB LYS 122 -1.468 -3.362 -3.362 961 1HG LYS 122 2HG LYS 122 0.545 -4.737 -4.737 962 2HG LYS 122 1HG LYS 122 -1.042 -5.400 -5.400 963 1HD LYS 122 2HD LYS 122 -2.141 -3.919 -3.919 964 2HD LYS 122 1HD LYS 122 -0.974 -2.627 -2.627 965 1HE LYS 122 2HE LYS 122 0.374 -3.268 -3.268 966 2HE LYS 122 1HE LYS 122 -0.018 -4.977 -4.977 967 1HZ LYS 122 3HZ LYS 122 -1.936 -3.002 -3.002 968 2HZ LYS 122 2HZ LYS 122 -0.874 -3.885 -3.885 969 3HZ LYS 122 1HZ LYS 122 -2.041 -4.690 -4.690 970 H VAL 123 H VAL 123 1.246 -0.122 -0.122 971 HA VAL 123 HA VAL 123 -0.437 0.733 0.733 972 HB VAL 123 HB VAL 123 1.852 1.489 1.489 973 1HG1 VAL 123 3HG1 VAL 123 1.310 2.068 2.068 974 2HG1 VAL 123 2HG1 VAL 123 2.169 3.362 3.362 975 3HG1 VAL 123 1HG1 VAL 123 2.835 1.730 1.730 976 1HG2 VAL 123 1HG2 VAL 123 -0.123 3.688 3.688 977 2HG2 VAL 123 3HG2 VAL 123 0.320 3.022 3.022 978 3HG2 VAL 123 2HG2 VAL 123 1.492 3.964 3.964 979 H HIS 124 H HIS 124 -2.299 1.801 1.801 980 HA HIS 124 HA HIS 124 -2.890 3.229 3.229 981 1HB HIS 124 2HB HIS 124 -4.960 1.487 1.487 982 2HB HIS 124 1HB HIS 124 -5.027 2.242 2.242 983 HD1 HIS 124 HD1 HIS 124 -4.251 0.861 0.861 984 HD2 HIS 124 HD2 HIS 124 -3.058 -0.712 -0.712 985 HE1 HIS 124 HE1 HIS 124 -3.221 -1.369 -1.369 986 HE2 HIS 124 HE2 HIS 124 -2.636 -2.360 -2.360 987 H GLY 125 H GLY 125 -4.062 5.078 5.078 988 1HA GLY 125 2HA GLY 125 -4.779 5.798 5.798 989 2HA GLY 125 1HA GLY 125 -4.223 6.946 6.946 990 H PHE 126 HN PHE 126 -6.822 6.252 6.252 991 HA PHE 126 HA PHE 126 -8.989 5.714 5.714 992 1HB PHE 126 2HB PHE 126 -10.312 6.962 6.962 993 2HB PHE 126 1HB PHE 126 -8.934 6.361 6.361 994 HD1 PHE 126 HD2 PHE 126 -6.814 8.164 8.164 995 HD2 PHE 126 HD1 PHE 126 -10.976 9.020 9.020 996 HE1 PHE 126 HE2 PHE 126 -6.299 10.458 10.458 997 HE2 PHE 126 HE1 PHE 126 -10.469 11.318 11.318 998 HZ PHE 126 HZ PHE 126 -8.127 12.038 12.038 Start of MODEL 15 1 1H MET 1 2H MET 1 -44.882 -19.692 -19.692 2 2H MET 1 1H MET 1 -43.344 -20.388 -20.388 3 3H MET 1 3H MET 1 -43.472 -18.713 -18.713 4 HA MET 1 HA MET 1 -43.156 -18.920 -18.920 5 1HB MET 1 2HB MET 1 -43.851 -21.344 -21.344 6 2HB MET 1 1HB MET 1 -45.523 -20.801 -20.801 7 1HG MET 1 2HG MET 1 -45.421 -20.137 -20.137 8 2HG MET 1 1HG MET 1 -43.706 -19.740 -19.740 9 1HE MET 1 3HE MET 1 -43.672 -20.822 -20.822 10 2HE MET 1 2HE MET 1 -42.201 -20.980 -20.980 11 3HE MET 1 1HE MET 1 -42.790 -22.349 -22.349 12 H ARG 2 H ARG 2 -43.726 -16.840 -16.840 13 HA ARG 2 HA ARG 2 -44.989 -14.993 -14.993 14 1HB ARG 2 2HB ARG 2 -47.272 -16.855 -16.855 15 2HB ARG 2 1HB ARG 2 -46.972 -15.249 -15.249 16 1HG ARG 2 2HG ARG 2 -45.346 -17.723 -17.723 17 2HG ARG 2 1HG ARG 2 -46.484 -16.949 -16.949 18 1HD ARG 2 2HD ARG 2 -45.085 -14.902 -14.902 19 2HD ARG 2 1HD ARG 2 -43.919 -15.777 -15.777 20 HE ARG 2 HE ARG 2 -44.502 -17.116 -17.116 21 1HH1 ARG 2 2HH1 ARG 2 -42.589 -14.584 -14.584 22 2HH1 ARG 2 1HH1 ARG 2 -41.343 -14.665 -14.665 23 1HH2 ARG 2 1HH2 ARG 2 -42.866 -17.223 -17.223 24 2HH2 ARG 2 2HH2 ARG 2 -41.500 -16.163 -16.163 25 H GLY 3 H GLY 3 -44.957 -16.157 -16.157 26 1HA GLY 3 2HA GLY 3 -47.596 -15.883 -15.883 27 2HA GLY 3 1HA GLY 3 -46.101 -16.080 -16.080 28 H SER 4 H SER 4 -44.625 -13.927 -13.927 29 HA SER 4 HA SER 4 -46.004 -11.471 -11.471 30 1HB SER 4 2HB SER 4 -45.968 -10.729 -10.729 31 2HB SER 4 1HB SER 4 -46.564 -12.385 -12.385 32 HG SER 4 HG SER 4 -44.995 -12.325 -12.325 33 H HIS 5 H HIS 5 -44.594 -10.122 -10.122 34 HA HIS 5 HA HIS 5 -41.892 -9.915 -9.915 35 1HB HIS 5 2HB HIS 5 -42.313 -11.690 -11.690 36 2HB HIS 5 1HB HIS 5 -41.804 -10.221 -10.221 37 HD1 HIS 5 HD1 HIS 5 -40.541 -13.037 -13.037 38 HD2 HIS 5 HD2 HIS 5 -39.180 -9.307 -9.307 39 HE1 HIS 5 HE1 HIS 5 -38.055 -13.072 -13.072 40 HE2 HIS 5 HE2 HIS 5 -37.265 -10.775 -10.775 41 H HIS 6 H HIS 6 -44.243 -8.217 -8.217 42 HA HIS 6 HA HIS 6 -42.997 -5.841 -5.841 43 1HB HIS 6 2HB HIS 6 -44.604 -7.291 -7.291 44 2HB HIS 6 1HB HIS 6 -45.104 -5.618 -5.618 45 HD1 HIS 6 HD1 HIS 6 -42.502 -4.157 -4.157 46 HD2 HIS 6 HD2 HIS 6 -43.043 -7.270 -7.270 47 HE1 HIS 6 HE1 HIS 6 -40.750 -3.822 -3.822 48 HE2 HIS 6 HE2 HIS 6 -41.044 -5.765 -5.765 49 H HIS 7 H HIS 7 -43.779 -5.698 -5.698 50 HA HIS 7 HA HIS 7 -46.643 -5.129 -5.129 51 1HB HIS 7 2HB HIS 7 -44.832 -6.407 -6.407 52 2HB HIS 7 1HB HIS 7 -45.127 -4.846 -4.846 53 HD1 HIS 7 HD1 HIS 7 -47.033 -7.872 -7.872 54 HD2 HIS 7 HD2 HIS 7 -47.495 -4.663 -4.663 55 HE1 HIS 7 HE1 HIS 7 -49.192 -8.299 -8.299 56 HE2 HIS 7 HE2 HIS 7 -49.406 -6.389 -6.389 57 H HIS 8 H HIS 8 -43.478 -3.635 -3.635 58 HA HIS 8 HA HIS 8 -44.373 -1.063 -1.063 59 1HB HIS 8 2HB HIS 8 -45.310 -1.516 -1.516 60 2HB HIS 8 1HB HIS 8 -43.664 -1.119 -1.119 61 HD1 HIS 8 HD1 HIS 8 -43.340 1.271 1.271 62 HD2 HIS 8 HD2 HIS 8 -46.386 0.687 0.687 63 HE1 HIS 8 HE1 HIS 8 -44.262 3.561 3.561 64 HE2 HIS 8 HE2 HIS 8 -46.041 3.193 3.193 65 H HIS 9 H HIS 9 -42.436 -1.696 -1.696 66 HA HIS 9 HA HIS 9 -39.892 -1.964 -1.964 67 1HB HIS 9 2HB HIS 9 -40.994 -1.803 -1.803 68 2HB HIS 9 1HB HIS 9 -39.605 -0.727 -0.727 69 HD1 HIS 9 HD1 HIS 9 -40.556 -4.310 -4.310 70 HD2 HIS 9 HD2 HIS 9 -37.129 -2.027 -2.027 71 HE1 HIS 9 HE1 HIS 9 -38.636 -5.921 -5.921 72 HE2 HIS 9 HE2 HIS 9 -36.570 -4.502 -4.502 73 H HIS 10 H HIS 10 -39.481 -0.423 -0.423 74 HA HIS 10 HA HIS 10 -38.579 2.130 2.130 75 1HB HIS 10 2HB HIS 10 -40.932 1.944 1.944 76 2HB HIS 10 1HB HIS 10 -39.957 3.399 3.399 77 HD1 HIS 10 HD1 HIS 10 -42.746 1.568 1.568 78 HD2 HIS 10 HD2 HIS 10 -40.121 4.588 4.588 79 HE1 HIS 10 HE1 HIS 10 -43.774 2.633 2.633 80 HE2 HIS 10 HE2 HIS 10 -42.126 4.401 4.401 81 H THR 11 H THR 11 -36.862 0.461 0.461 82 HA THR 11 HA THR 11 -36.495 0.137 0.137 83 HB THR 11 HB THR 11 -34.142 -0.332 -0.332 84 HG1 THR 11 HG1 THR 11 -34.847 0.586 0.586 85 1HG2 THR 11 2HG2 THR 11 -36.349 -1.557 -1.557 86 2HG2 THR 11 1HG2 THR 11 -34.736 -1.840 -1.840 87 3HG2 THR 11 3HG2 THR 11 -35.105 -2.294 -2.294 88 H ASP 12 H ASP 12 -36.585 1.834 1.834 89 HA ASP 12 HA ASP 12 -35.235 4.321 4.321 90 1HB ASP 12 2HB ASP 12 -37.297 3.523 3.523 91 2HB ASP 12 1HB ASP 12 -36.282 4.912 4.912 92 HA PRO 13 HA PRO 13 -31.523 3.282 3.282 93 1HB PRO 13 2HB PRO 13 -31.440 6.213 6.213 94 2HB PRO 13 1HB PRO 13 -30.203 5.154 5.154 95 1HG PRO 13 2HG PRO 13 -31.590 6.810 6.810 96 2HG PRO 13 1HG PRO 13 -31.161 5.181 5.181 97 1HD PRO 13 2HD PRO 13 -33.784 6.225 6.225 98 2HD PRO 13 1HD PRO 13 -33.444 5.046 5.046 99 H MET 14 H MET 14 -34.001 5.386 5.386 100 HA MET 14 HA MET 14 -33.105 5.512 5.512 101 1HB MET 14 2HB MET 14 -35.844 5.677 5.677 102 2HB MET 14 1HB MET 14 -35.612 5.808 5.808 103 1HG MET 14 2HG MET 14 -34.266 7.581 7.581 104 2HG MET 14 1HG MET 14 -35.765 7.982 7.982 105 1HE MET 14 2HE MET 14 -33.019 9.383 9.383 106 2HE MET 14 1HE MET 14 -33.822 10.396 10.396 107 3HE MET 14 3HE MET 14 -32.209 9.759 9.759 108 H SER 15 H SER 15 -34.684 2.960 2.960 109 HA SER 15 HA SER 15 -35.789 1.461 1.461 110 1HB SER 15 2HB SER 15 -35.985 1.025 1.025 111 2HB SER 15 1HB SER 15 -34.387 0.285 0.285 112 HG SER 15 HG SER 15 -36.825 -0.615 -0.615 113 H ALA 16 H ALA 16 -32.453 1.702 1.702 114 HA ALA 16 HA ALA 16 -31.651 0.157 0.157 115 1HB ALA 16 3HB ALA 16 -30.664 -0.178 -0.178 116 2HB ALA 16 2HB ALA 16 -29.723 -0.707 -0.707 117 3HB ALA 16 1HB ALA 16 -31.315 -1.400 -1.400 118 H ILE 17 H ILE 17 -31.117 2.004 2.004 119 HA ILE 17 HA ILE 17 -29.076 3.765 3.765 120 HB ILE 17 HB ILE 17 -30.621 4.206 4.206 121 1HG1 ILE 17 2HG1 ILE 17 -31.221 5.573 5.573 122 2HG1 ILE 17 1HG1 ILE 17 -31.973 4.032 4.032 123 1HG2 ILE 17 3HG2 ILE 17 -28.364 5.403 5.403 124 2HG2 ILE 17 2HG2 ILE 17 -29.460 6.391 6.391 125 3HG2 ILE 17 1HG2 ILE 17 -29.680 6.281 6.281 126 1HD1 ILE 17 1HD1 ILE 17 -32.393 5.531 5.531 127 2HD1 ILE 17 3HD1 ILE 17 -32.574 6.702 6.702 128 3HD1 ILE 17 2HD1 ILE 17 -33.560 5.240 5.240 129 H GLN 18 H GLN 18 -27.358 2.242 2.242 130 HA GLN 18 HA GLN 18 -26.672 1.104 1.104 131 1HB GLN 18 2HB GLN 18 -25.762 0.825 0.825 132 2HB GLN 18 1HB GLN 18 -24.457 1.771 1.771 133 1HG GLN 18 2HG GLN 18 -24.008 -0.616 -0.616 134 2HG GLN 18 1HG GLN 18 -24.148 0.103 0.103 135 1HE2 GLN 18 1HE2 GLN 18 -24.603 -1.905 -1.905 136 2HE2 GLN 18 2HE2 GLN 18 -26.142 -2.669 -2.669 137 H ASN 19 H ASN 19 -24.591 1.618 1.618 138 HA ASN 19 HA ASN 19 -24.130 4.518 4.518 139 1HB ASN 19 2HB ASN 19 -24.512 2.634 2.634 140 2HB ASN 19 1HB ASN 19 -24.004 4.315 4.315 141 1HD2 ASN 19 2HD2 ASN 19 -27.858 3.413 3.413 142 2HD2 ASN 19 1HD2 ASN 19 -26.579 2.281 2.281 143 H LEU 20 H LEU 20 -22.178 4.352 4.352 144 HA LEU 20 HA LEU 20 -19.931 4.087 4.087 145 1HB LEU 20 2HB LEU 20 -20.404 4.095 4.095 146 2HB LEU 20 1HB LEU 20 -18.929 3.265 3.265 147 HG LEU 20 HG LEU 20 -18.133 5.267 5.267 148 1HD1 LEU 20 1HD1 LEU 20 -20.870 6.242 6.242 149 2HD1 LEU 20 3HD1 LEU 20 -19.539 7.398 7.398 150 3HD1 LEU 20 2HD1 LEU 20 -19.919 6.439 6.439 151 1HD2 LEU 20 2HD2 LEU 20 -18.964 5.448 5.448 152 2HD2 LEU 20 1HD2 LEU 20 -17.356 5.226 5.226 153 3HD2 LEU 20 3HD2 LEU 20 -18.141 6.803 6.803 154 H HIS 21 H HIS 21 -18.230 2.482 2.482 155 HA HIS 21 HA HIS 21 -17.434 0.395 0.395 156 1HB HIS 21 2HB HIS 21 -19.500 -0.522 -0.522 157 2HB HIS 21 1HB HIS 21 -18.096 -1.434 -1.434 158 HD1 HIS 21 HD1 HIS 21 -16.597 1.637 1.637 159 HD2 HIS 21 HD2 HIS 21 -18.173 -0.926 -0.926 160 HE1 HIS 21 HE1 HIS 21 -15.478 2.274 2.274 161 HE2 HIS 21 HE2 HIS 21 -16.514 0.770 0.770 162 H SER 22 H SER 22 -19.303 1.404 1.404 163 HA SER 22 HA SER 22 -21.115 -0.804 -0.804 164 1HB SER 22 2HB SER 22 -21.862 0.820 0.820 165 2HB SER 22 1HB SER 22 -22.223 1.273 1.273 166 HG SER 22 HG SER 22 -20.672 2.532 2.532 167 H PHE 23 H PHE 23 -18.263 0.829 0.829 168 HA PHE 23 HA PHE 23 -18.130 -1.109 -1.109 169 1HB PHE 23 2HB PHE 23 -17.999 1.637 1.637 170 2HB PHE 23 1HB PHE 23 -16.301 1.175 1.175 171 HD1 PHE 23 HD1 PHE 23 -15.427 -0.280 -0.280 172 HD2 PHE 23 HD2 PHE 23 -19.411 1.213 1.213 173 HE1 PHE 23 HE1 PHE 23 -15.588 -0.823 -0.823 174 HE2 PHE 23 HE2 PHE 23 -19.581 0.672 0.672 175 HZ PHE 23 HZ PHE 23 -17.668 -0.348 -0.348 176 H ASP 24 H ASP 24 -16.821 -2.746 -2.746 177 HA ASP 24 HA ASP 24 -15.031 -3.954 -3.954 178 1HB ASP 24 2HB ASP 24 -13.532 -1.328 -1.328 179 2HB ASP 24 1HB ASP 24 -12.849 -2.944 -2.944 180 HA PRO 25 HA PRO 25 -15.910 -2.374 -2.374 181 1HB PRO 25 2HB PRO 25 -16.793 -5.178 -5.178 182 2HB PRO 25 1HB PRO 25 -17.596 -3.684 -3.684 183 1HG PRO 25 2HG PRO 25 -18.487 -5.125 -5.125 184 2HG PRO 25 1HG PRO 25 -18.549 -3.353 -3.353 185 1HD PRO 25 2HD PRO 25 -16.625 -5.191 -5.191 186 2HD PRO 25 1HD PRO 25 -17.365 -3.689 -3.689 187 H PHE 26 H PHE 26 -14.526 -5.382 -5.382 188 HA PHE 26 HA PHE 26 -12.592 -5.328 -5.328 189 1HB PHE 26 2HB PHE 26 -12.350 -7.860 -7.860 190 2HB PHE 26 1HB PHE 26 -13.557 -7.365 -7.365 191 HD1 PHE 26 HD2 PHE 26 -15.909 -6.943 -6.943 192 HD2 PHE 26 HD1 PHE 26 -12.972 -8.821 -8.821 193 HE1 PHE 26 HE2 PHE 26 -17.690 -7.850 -7.850 194 HE2 PHE 26 HE1 PHE 26 -14.747 -9.731 -9.731 195 HZ PHE 26 HZ PHE 26 -17.109 -9.246 -9.246 196 H ALA 27 H ALA 27 -12.910 -6.499 -6.499 197 HA ALA 27 HA ALA 27 -10.702 -5.079 -5.079 198 1HB ALA 27 2HB ALA 27 -10.101 -7.737 -7.737 199 2HB ALA 27 1HB ALA 27 -9.306 -7.311 -7.311 200 3HB ALA 27 3HB ALA 27 -9.102 -6.286 -6.286 201 H ASP 28 H ASP 28 -10.881 -5.013 -5.013 202 HA ASP 28 HA ASP 28 -12.552 -7.051 -7.051 203 1HB ASP 28 2HB ASP 28 -13.282 -4.639 -4.639 204 2HB ASP 28 1HB ASP 28 -11.851 -4.305 -4.305 205 H ALA 29 H ALA 29 -11.472 -8.547 -8.547 206 HA ALA 29 HA ALA 29 -8.813 -7.927 -7.927 207 1HB ALA 29 2HB ALA 29 -9.550 -10.037 -10.037 208 2HB ALA 29 1HB ALA 29 -9.924 -10.671 -10.671 209 3HB ALA 29 3HB ALA 29 -8.288 -10.130 -10.130 210 H SER 30 H SER 30 -8.455 -9.536 -9.536 211 HA SER 30 HA SER 30 -10.558 -8.797 -8.797 212 1HB SER 30 2HB SER 30 -7.599 -8.509 -8.509 213 2HB SER 30 1HB SER 30 -8.428 -8.958 -8.958 214 HG SER 30 HG SER 30 -8.629 -6.840 -6.840 215 H LYS 31 H LYS 31 -7.669 -10.885 -10.885 216 HA LYS 31 HA LYS 31 -9.229 -13.279 -13.279 217 1HB LYS 31 2HB LYS 31 -8.854 -11.917 -11.917 218 2HB LYS 31 1HB LYS 31 -7.522 -13.064 -13.064 219 1HG LYS 31 2HG LYS 31 -10.056 -14.273 -14.273 220 2HG LYS 31 1HG LYS 31 -10.089 -13.552 -13.552 221 1HD LYS 31 2HD LYS 31 -9.210 -15.517 -15.517 222 2HD LYS 31 1HD LYS 31 -7.696 -14.840 -14.840 223 1HE LYS 31 2HE LYS 31 -7.599 -16.306 -16.306 224 2HE LYS 31 1HE LYS 31 -9.295 -16.067 -16.067 225 1HZ LYS 31 1HZ LYS 31 -9.596 -17.474 -17.474 226 2HZ LYS 31 3HZ LYS 31 -8.070 -18.056 -18.056 227 3HZ LYS 31 2HZ LYS 31 -9.376 -18.210 -18.210 228 H GLY 32 H GLY 32 -8.108 -14.624 -14.624 229 1HA GLY 32 2HA GLY 32 -5.807 -15.871 -15.871 230 2HA GLY 32 1HA GLY 32 -5.209 -14.337 -14.337 231 H ASP 33 H ASP 33 -4.365 -16.207 -16.207 232 HA ASP 33 HA ASP 33 -6.018 -16.063 -16.063 233 1HB ASP 33 2HB ASP 33 -5.558 -18.511 -18.511 234 2HB ASP 33 1HB ASP 33 -6.708 -18.185 -18.185 235 H ASP 34 H ASP 34 -4.149 -14.472 -14.472 236 HA ASP 34 HA ASP 34 -1.718 -15.818 -15.818 237 1HB ASP 34 2HB ASP 34 -2.181 -13.392 -13.392 238 2HB ASP 34 1HB ASP 34 -1.203 -13.074 -13.074 239 H LEU 35 H LEU 35 -2.675 -16.350 -16.350 240 HA LEU 35 HA LEU 35 -3.099 -14.040 -14.040 241 1HB LEU 35 2HB LEU 35 -4.119 -16.870 -16.870 242 2HB LEU 35 1HB LEU 35 -4.374 -15.598 -15.598 243 HG LEU 35 HG LEU 35 -5.409 -15.574 -15.574 244 1HD1 LEU 35 2HD1 LEU 35 -6.590 -16.403 -16.403 245 2HD1 LEU 35 1HD1 LEU 35 -7.621 -15.627 -15.627 246 3HD1 LEU 35 3HD1 LEU 35 -6.771 -17.120 -17.120 247 1HD2 LEU 35 1HD2 LEU 35 -5.654 -13.635 -13.635 248 2HD2 LEU 35 3HD2 LEU 35 -5.070 -13.332 -13.332 249 3HD2 LEU 35 2HD2 LEU 35 -6.782 -13.655 -13.655 250 H LEU 36 H LEU 36 -1.039 -13.685 -13.685 251 HA LEU 36 HA LEU 36 0.758 -15.742 -15.742 252 1HB LEU 36 2HB LEU 36 0.768 -12.886 -12.886 253 2HB LEU 36 1HB LEU 36 1.417 -13.363 -13.363 254 HG LEU 36 HG LEU 36 3.096 -14.754 -14.754 255 1HD1 LEU 36 1HD1 LEU 36 1.424 -14.940 -14.940 256 2HD1 LEU 36 3HD1 LEU 36 2.491 -13.670 -13.670 257 3HD1 LEU 36 2HD1 LEU 36 3.158 -15.234 -15.234 258 1HD2 LEU 36 3HD2 LEU 36 3.224 -12.137 -12.137 259 2HD2 LEU 36 2HD2 LEU 36 4.506 -13.033 -13.033 260 3HD2 LEU 36 1HD2 LEU 36 3.293 -12.171 -12.171 261 HA PRO 37 HA PRO 37 -0.740 -16.723 -16.723 262 1HB PRO 37 2HB PRO 37 1.514 -17.704 -17.704 263 2HB PRO 37 1HB PRO 37 0.614 -18.580 -18.580 264 1HG PRO 37 2HG PRO 37 3.085 -16.910 -16.910 265 2HG PRO 37 1HG PRO 37 2.710 -18.482 -18.482 266 1HD PRO 37 2HD PRO 37 2.478 -16.138 -16.138 267 2HD PRO 37 1HD PRO 37 1.440 -17.540 -17.540 268 H ALA 38 H ALA 38 -0.610 -16.098 -16.098 269 HA ALA 38 HA ALA 38 1.351 -14.401 -14.401 270 1HB ALA 38 3HB ALA 38 -0.878 -13.071 -13.071 271 2HB ALA 38 2HB ALA 38 -0.365 -12.378 -12.378 272 3HB ALA 38 1HB ALA 38 0.795 -12.558 -12.558 273 H GLY 39 H GLY 39 1.006 -13.986 -13.986 274 1HA GLY 39 2HA GLY 39 -1.500 -15.104 -15.104 275 2HA GLY 39 1HA GLY 39 0.069 -15.339 -15.339 276 H THR 40 H THR 40 -0.283 -14.362 -14.362 277 HA THR 40 HA THR 40 -1.035 -11.513 -11.513 278 HB THR 40 HB THR 40 -1.315 -12.680 -12.680 279 HG1 THR 40 HG1 THR 40 -2.706 -13.946 -13.946 280 1HG2 THR 40 2HG2 THR 40 -2.453 -10.630 -10.630 281 2HG2 THR 40 1HG2 THR 40 -3.575 -11.790 -11.790 282 3HG2 THR 40 3HG2 THR 40 -3.404 -11.686 -11.686 283 H GLU 41 H GLU 41 1.230 -13.884 -13.884 284 HA GLU 41 HA GLU 41 3.300 -13.690 -13.690 285 1HB GLU 41 2HB GLU 41 2.896 -11.172 -11.172 286 2HB GLU 41 1HB GLU 41 3.987 -11.011 -11.011 287 1HG GLU 41 2HG GLU 41 5.309 -12.905 -12.905 288 2HG GLU 41 1HG GLU 41 4.267 -12.894 -12.894 289 H ASP 42 H ASP 42 0.673 -12.930 -12.930 290 HA ASP 42 HA ASP 42 0.032 -12.342 -12.342 291 1HB ASP 42 2HB ASP 42 2.622 -13.623 -13.623 292 2HB ASP 42 1HB ASP 42 2.385 -12.452 -12.452 293 H TYR 43 H TYR 43 0.010 -10.150 -10.150 294 HA TYR 43 HA TYR 43 1.957 -8.215 -8.215 295 1HB TYR 43 2HB TYR 43 -0.810 -7.877 -7.877 296 2HB TYR 43 1HB TYR 43 0.353 -6.574 -6.574 297 HD1 TYR 43 HD2 TYR 43 2.651 -8.772 -8.772 298 HD2 TYR 43 HD1 TYR 43 -0.855 -7.185 -7.185 299 HE1 TYR 43 HE2 TYR 43 3.586 -9.259 -9.259 300 HE2 TYR 43 HE1 TYR 43 0.078 -7.671 -7.671 301 HH TYR 43 HH TYR 43 1.800 -9.314 -9.314 302 H ILE 44 H ILE 44 1.448 -6.249 -6.249 303 HA ILE 44 HA ILE 44 -0.321 -6.873 -6.873 304 HB ILE 44 HB ILE 44 2.138 -5.118 -5.118 305 1HG1 ILE 44 2HG1 ILE 44 2.849 -7.389 -7.389 306 2HG1 ILE 44 1HG1 ILE 44 3.021 -6.922 -6.922 307 1HG2 ILE 44 3HG2 ILE 44 0.374 -4.397 -4.397 308 2HG2 ILE 44 2HG2 ILE 44 0.395 -6.003 -6.003 309 3HG2 ILE 44 1HG2 ILE 44 1.822 -4.971 -4.971 310 1HD1 ILE 44 1HD1 ILE 44 0.663 -7.970 -7.970 311 2HD1 ILE 44 3HD1 ILE 44 1.065 -8.783 -8.783 312 3HD1 ILE 44 2HD1 ILE 44 2.084 -9.011 -9.011 313 H HIS 45 H HIS 45 -2.158 -5.946 -5.946 314 HA HIS 45 HA HIS 45 -2.338 -3.439 -3.439 315 1HB HIS 45 2HB HIS 45 -4.074 -5.559 -5.559 316 2HB HIS 45 1HB HIS 45 -4.774 -4.091 -4.091 317 HD1 HIS 45 HD1 HIS 45 -3.956 -5.767 -5.767 318 HD2 HIS 45 HD2 HIS 45 -5.705 -2.249 -2.249 319 HE1 HIS 45 HE1 HIS 45 -5.083 -4.767 -4.767 320 HE2 HIS 45 HE2 HIS 45 -6.058 -2.592 -2.592 321 H ILE 46 H ILE 46 -1.976 -1.523 -1.523 322 HA ILE 46 HA ILE 46 -2.063 -1.046 -1.046 323 HB ILE 46 HB ILE 46 -1.552 0.863 0.863 324 1HG1 ILE 46 2HG1 ILE 46 0.117 -0.977 -0.977 325 2HG1 ILE 46 1HG1 ILE 46 0.773 0.644 0.644 326 1HG2 ILE 46 1HG2 ILE 46 -1.711 1.265 1.265 327 2HG2 ILE 46 3HG2 ILE 46 -0.445 2.122 2.122 328 3HG2 ILE 46 2HG2 ILE 46 -2.139 2.355 2.355 329 1HD1 ILE 46 3HD1 ILE 46 0.178 0.150 0.150 330 2HD1 ILE 46 2HD1 ILE 46 0.415 -1.507 -1.507 331 3HD1 ILE 46 1HD1 ILE 46 1.711 -0.322 -0.322 332 H ARG 47 H ARG 47 -3.302 1.473 1.473 333 HA ARG 47 HA ARG 47 -5.429 2.222 2.222 334 1HB ARG 47 2HB ARG 47 -6.097 -0.262 -0.262 335 2HB ARG 47 1HB ARG 47 -6.681 0.496 0.496 336 1HG ARG 47 2HG ARG 47 -7.471 1.473 1.473 337 2HG ARG 47 1HG ARG 47 -8.351 0.198 0.198 338 1HD ARG 47 2HD ARG 47 -8.064 2.205 2.205 339 2HD ARG 47 1HD ARG 47 -8.406 3.069 3.069 340 HE ARG 47 HE ARG 47 -10.228 1.489 1.489 341 1HH1 ARG 47 2HH1 ARG 47 -9.433 2.495 2.495 342 2HH1 ARG 47 1HH1 ARG 47 -11.049 2.296 2.296 343 1HH2 ARG 47 1HH2 ARG 47 -12.353 1.227 1.227 344 2HH2 ARG 47 2HH2 ARG 47 -12.706 1.578 1.578 345 H ILE 48 H ILE 48 -6.308 3.998 3.998 346 HA ILE 48 HA ILE 48 -5.922 4.683 4.683 347 HB ILE 48 HB ILE 48 -5.536 6.296 6.296 348 1HG1 ILE 48 2HG1 ILE 48 -4.175 6.161 6.161 349 2HG1 ILE 48 1HG1 ILE 48 -3.574 5.527 5.527 350 1HG2 ILE 48 2HG2 ILE 48 -6.573 7.432 7.432 351 2HG2 ILE 48 1HG2 ILE 48 -5.758 8.401 8.401 352 3HG2 ILE 48 3HG2 ILE 48 -7.275 7.589 7.589 353 1HD1 ILE 48 3HD1 ILE 48 -3.444 7.838 7.838 354 2HD1 ILE 48 2HD1 ILE 48 -3.941 8.422 8.422 355 3HD1 ILE 48 1HD1 ILE 48 -2.414 7.555 7.555 356 H GLN 49 H GLN 49 -7.592 6.000 6.000 357 HA GLN 49 HA GLN 49 -10.095 6.219 6.219 358 1HB GLN 49 2HB GLN 49 -11.397 5.174 5.174 359 2HB GLN 49 1HB GLN 49 -10.243 4.044 4.044 360 1HG GLN 49 2HG GLN 49 -8.831 5.130 5.130 361 2HG GLN 49 1HG GLN 49 -10.472 5.067 5.067 362 1HE2 GLN 49 2HE2 GLN 49 -10.352 1.688 1.688 363 2HE2 GLN 49 1HE2 GLN 49 -11.080 3.236 3.236 364 H GLN 50 H GLN 50 -10.172 8.398 8.398 365 HA GLN 50 HA GLN 50 -9.872 9.732 9.732 366 1HB GLN 50 2HB GLN 50 -8.960 10.402 10.402 367 2HB GLN 50 1HB GLN 50 -10.331 11.475 11.475 368 1HG GLN 50 2HG GLN 50 -9.357 12.451 12.451 369 2HG GLN 50 1HG GLN 50 -8.147 11.177 11.177 370 1HE2 GLN 50 2HE2 GLN 50 -6.131 13.742 13.742 371 2HE2 GLN 50 1HE2 GLN 50 -6.724 13.071 13.071 372 H ARG 51 H ARG 51 -11.782 9.515 9.515 373 HA ARG 51 HA ARG 51 -14.328 9.506 9.506 374 1HB ARG 51 2HB ARG 51 -13.270 9.300 9.300 375 2HB ARG 51 1HB ARG 51 -14.322 10.705 10.705 376 1HG ARG 51 2HG ARG 51 -15.823 9.087 9.087 377 2HG ARG 51 1HG ARG 51 -15.995 9.073 9.073 378 1HD ARG 51 2HD ARG 51 -15.355 6.949 6.949 379 2HD ARG 51 1HD ARG 51 -13.846 7.344 7.344 380 HE ARG 51 HE ARG 51 -16.027 7.153 7.153 381 1HH1 ARG 51 2HH1 ARG 51 -13.756 5.251 5.251 382 2HH1 ARG 51 1HH1 ARG 51 -13.814 3.902 3.902 383 1HH2 ARG 51 1HH2 ARG 51 -16.104 5.380 5.380 384 2HH2 ARG 51 2HH2 ARG 51 -15.148 3.975 3.975 385 H ASN 52 H ASN 52 -12.635 12.178 12.178 386 HA ASN 52 HA ASN 52 -14.464 14.067 14.067 387 1HB ASN 52 2HB ASN 52 -12.558 14.843 14.843 388 2HB ASN 52 1HB ASN 52 -14.099 15.572 15.572 389 1HD2 ASN 52 2HD2 ASN 52 -14.035 13.184 13.184 390 2HD2 ASN 52 1HD2 ASN 52 -12.744 14.149 14.149 391 H GLY 53 H GLY 53 -12.540 16.285 16.285 392 1HA GLY 53 2HA GLY 53 -10.936 15.859 15.859 393 2HA GLY 53 1HA GLY 53 -11.219 17.397 17.397 394 H ARG 54 H ARG 54 -10.151 14.457 14.457 395 HA ARG 54 HA ARG 54 -7.409 14.824 14.824 396 1HB ARG 54 2HB ARG 54 -7.030 15.813 15.813 397 2HB ARG 54 1HB ARG 54 -7.641 16.939 16.939 398 1HG ARG 54 2HG ARG 54 -9.761 17.009 17.009 399 2HG ARG 54 1HG ARG 54 -9.496 15.522 15.522 400 1HD ARG 54 2HD ARG 54 -7.507 17.452 17.452 401 2HD ARG 54 1HD ARG 54 -9.106 18.183 18.183 402 HE ARG 54 HE ARG 54 -9.004 15.597 15.597 403 1HH1 ARG 54 2HH1 ARG 54 -8.216 18.959 18.959 404 2HH1 ARG 54 1HH1 ARG 54 -8.305 18.847 18.847 405 1HH2 ARG 54 1HH2 ARG 54 -9.123 15.450 15.450 406 2HH2 ARG 54 2HH2 ARG 54 -8.819 16.856 16.856 407 H LYS 55 H LYS 55 -10.224 13.729 13.729 408 HA LYS 55 HA LYS 55 -8.927 12.014 12.014 409 1HB LYS 55 2HB LYS 55 -11.579 12.734 12.734 410 2HB LYS 55 1HB LYS 55 -11.504 10.987 10.987 411 1HG LYS 55 2HG LYS 55 -10.677 12.547 12.547 412 2HG LYS 55 1HG LYS 55 -12.179 11.640 11.640 413 1HD LYS 55 2HD LYS 55 -9.508 10.318 10.318 414 2HD LYS 55 1HD LYS 55 -10.228 10.525 10.525 415 1HE LYS 55 2HE LYS 55 -11.997 9.402 9.402 416 2HE LYS 55 1HE LYS 55 -10.650 8.378 8.378 417 1HZ LYS 55 3HZ LYS 55 -12.155 9.628 9.628 418 2HZ LYS 55 2HZ LYS 55 -12.981 8.444 8.444 419 3HZ LYS 55 1HZ LYS 55 -11.523 8.062 8.062 420 H THR 56 H THR 56 -7.316 11.314 11.314 421 HA THR 56 HA THR 56 -8.219 9.241 9.241 422 HB THR 56 HB THR 56 -5.329 9.564 9.564 423 HG1 THR 56 HG1 THR 56 -5.170 11.628 11.628 424 1HG2 THR 56 3HG2 THR 56 -7.168 9.044 9.044 425 2HG2 THR 56 2HG2 THR 56 -6.073 10.359 10.359 426 3HG2 THR 56 1HG2 THR 56 -5.423 8.795 8.795 427 H LEU 57 H LEU 57 -7.505 7.078 7.078 428 HA LEU 57 HA LEU 57 -6.210 6.137 6.137 429 1HB LEU 57 2HB LEU 57 -9.044 5.730 5.730 430 2HB LEU 57 1HB LEU 57 -8.184 4.271 4.271 431 HG LEU 57 HG LEU 57 -8.240 6.763 6.763 432 1HD1 LEU 57 3HD1 LEU 57 -10.164 4.525 4.525 433 2HD1 LEU 57 2HD1 LEU 57 -9.773 5.084 5.084 434 3HD1 LEU 57 1HD1 LEU 57 -10.433 6.211 6.211 435 1HD2 LEU 57 3HD2 LEU 57 -6.626 4.491 4.491 436 2HD2 LEU 57 2HD2 LEU 57 -6.841 5.694 5.694 437 3HD2 LEU 57 1HD2 LEU 57 -7.839 4.240 4.240 438 H THR 58 H THR 58 -4.509 5.698 5.698 439 HA THR 58 HA THR 58 -4.788 4.061 4.061 440 HB THR 58 HB THR 58 -2.381 4.396 4.396 441 HG1 THR 58 HG1 THR 58 -3.355 6.316 6.316 442 1HG2 THR 58 3HG2 THR 58 -2.694 3.193 3.193 443 2HG2 THR 58 2HG2 THR 58 -1.205 4.035 4.035 444 3HG2 THR 58 1HG2 THR 58 -1.735 2.642 2.642 445 H THR 59 H THR 59 -4.768 1.875 1.875 446 HA THR 59 HA THR 59 -4.593 0.211 0.211 447 HB THR 59 HB THR 59 -6.111 -1.283 -1.283 448 HG1 THR 59 HG1 THR 59 -7.222 -0.021 -0.021 449 1HG2 THR 59 1HG2 THR 59 -6.562 0.172 0.172 450 2HG2 THR 59 3HG2 THR 59 -8.008 0.106 0.106 451 3HG2 THR 59 2HG2 THR 59 -7.196 -1.386 -1.386 452 H VAL 60 H VAL 60 -3.872 -1.972 -1.972 453 HA VAL 60 HA VAL 60 -2.191 -2.338 -2.338 454 HB VAL 60 HB VAL 60 -1.493 -3.110 -3.110 455 1HG1 VAL 60 2HG1 VAL 60 -0.033 -3.598 -3.598 456 2HG1 VAL 60 1HG1 VAL 60 0.690 -3.796 -3.796 457 3HG1 VAL 60 3HG1 VAL 60 -0.669 -4.810 -4.810 458 1HG2 VAL 60 2HG2 VAL 60 -0.666 -0.903 -0.903 459 2HG2 VAL 60 1HG2 VAL 60 -1.005 -0.870 -0.870 460 3HG2 VAL 60 3HG2 VAL 60 0.508 -1.559 -1.559 461 H GLN 61 H GLN 61 -2.742 -4.051 -4.051 462 HA GLN 61 HA GLN 61 -3.994 -6.338 -6.338 463 1HB GLN 61 2HB GLN 61 -5.227 -4.774 -4.774 464 2HB GLN 61 1HB GLN 61 -4.520 -6.002 -6.002 465 1HG GLN 61 2HG GLN 61 -5.661 -7.424 -7.424 466 2HG GLN 61 1HG GLN 61 -6.821 -6.148 -6.148 467 1HE2 GLN 61 2HE2 GLN 61 -6.858 -7.346 -7.346 468 2HE2 GLN 61 1HE2 GLN 61 -6.279 -5.919 -5.919 469 H GLY 62 H GLY 62 -3.390 -8.409 -8.409 470 1HA GLY 62 2HA GLY 62 -2.230 -9.915 -9.915 471 2HA GLY 62 1HA GLY 62 -1.174 -8.584 -8.584 472 H ILE 63 H ILE 63 -1.030 -7.804 -7.804 473 HA ILE 63 HA ILE 63 1.336 -9.273 -9.273 474 HB ILE 63 HB ILE 63 -0.230 -7.205 -7.205 475 1HG1 ILE 63 2HG1 ILE 63 0.875 -6.025 -6.025 476 2HG1 ILE 63 1HG1 ILE 63 2.118 -6.043 -6.043 477 1HG2 ILE 63 3HG2 ILE 63 1.900 -8.972 -8.972 478 2HG2 ILE 63 2HG2 ILE 63 2.171 -7.260 -7.260 479 3HG2 ILE 63 1HG2 ILE 63 0.706 -8.044 -8.044 480 1HD1 ILE 63 2HD1 ILE 63 2.973 -8.150 -8.150 481 2HD1 ILE 63 1HD1 ILE 63 1.968 -7.598 -7.598 482 3HD1 ILE 63 3HD1 ILE 63 3.267 -6.571 -6.571 483 H ALA 64 H ALA 64 1.732 -10.704 -10.704 484 HA ALA 64 HA ALA 64 -0.503 -12.372 -12.372 485 1HB ALA 64 3HB ALA 64 1.886 -13.117 -13.117 486 2HB ALA 64 2HB ALA 64 2.281 -12.733 -12.733 487 3HB ALA 64 1HB ALA 64 1.058 -13.952 -13.952 488 H ASP 65 H ASP 65 -1.414 -12.623 -12.623 489 HA ASP 65 HA ASP 65 -1.278 -10.478 -10.478 490 1HB ASP 65 2HB ASP 65 -2.718 -11.931 -11.931 491 2HB ASP 65 1HB ASP 65 -3.317 -11.742 -11.742 492 H ASP 66 H ASP 66 0.724 -13.191 -13.191 493 HA ASP 66 HA ASP 66 1.578 -13.210 -13.210 494 1HB ASP 66 2HB ASP 66 1.209 -15.305 -15.305 495 2HB ASP 66 1HB ASP 66 2.814 -14.913 -14.913 496 H TYR 67 H TYR 67 2.106 -10.894 -10.894 497 HA TYR 67 HA TYR 67 4.966 -11.001 -11.001 498 1HB TYR 67 2HB TYR 67 2.746 -9.118 -9.118 499 2HB TYR 67 1HB TYR 67 4.367 -8.448 -8.448 500 HD1 TYR 67 HD1 TYR 67 4.147 -11.863 -11.863 501 HD2 TYR 67 HD2 TYR 67 4.043 -7.779 -7.779 502 HE1 TYR 67 HE1 TYR 67 4.574 -12.525 -12.525 503 HE2 TYR 67 HE2 TYR 67 4.466 -8.418 -8.418 504 HH TYR 67 HH TYR 67 4.269 -11.658 -11.658 505 H ASP 68 H ASP 68 3.818 -11.129 -11.129 506 HA ASP 68 HA ASP 68 4.653 -10.518 -10.518 507 1HB ASP 68 2HB ASP 68 6.662 -9.680 -9.680 508 2HB ASP 68 1HB ASP 68 6.018 -8.093 -8.093 509 H LYS 69 H LYS 69 2.930 -8.466 -8.466 510 HA LYS 69 HA LYS 69 1.306 -6.921 -6.921 511 1HB LYS 69 2HB LYS 69 0.401 -8.538 -8.538 512 2HB LYS 69 1HB LYS 69 1.441 -7.904 -7.904 513 1HG LYS 69 2HG LYS 69 0.262 -5.828 -5.828 514 2HG LYS 69 1HG LYS 69 -0.666 -6.281 -6.281 515 1HD LYS 69 2HD LYS 69 -2.159 -6.700 -6.700 516 2HD LYS 69 1HD LYS 69 -1.446 -8.289 -8.289 517 1HE LYS 69 2HE LYS 69 -0.229 -8.248 -8.248 518 2HE LYS 69 1HE LYS 69 -0.177 -6.486 -6.486 519 1HZ LYS 69 2HZ LYS 69 -2.761 -6.844 -6.844 520 2HZ LYS 69 1HZ LYS 69 -2.240 -8.319 -8.319 521 3HZ LYS 69 3HZ LYS 69 -1.691 -6.865 -6.865 522 H LYS 70 H LYS 70 2.877 -6.629 -6.629 523 HA LYS 70 HA LYS 70 2.845 -3.885 -3.885 524 1HB LYS 70 2HB LYS 70 4.586 -4.067 -4.067 525 2HB LYS 70 1HB LYS 70 3.417 -5.366 -5.366 526 1HG LYS 70 2HG LYS 70 4.975 -6.875 -6.875 527 2HG LYS 70 1HG LYS 70 6.159 -5.566 -5.566 528 1HD LYS 70 2HD LYS 70 6.619 -5.770 -5.770 529 2HD LYS 70 1HD LYS 70 4.968 -6.240 -6.240 530 1HE LYS 70 2HE LYS 70 6.843 -8.055 -8.055 531 2HE LYS 70 1HE LYS 70 6.769 -8.014 -8.014 532 1HZ LYS 70 1HZ LYS 70 4.201 -8.296 -8.296 533 2HZ LYS 70 3HZ LYS 70 4.849 -9.073 -9.073 534 3HZ LYS 70 2HZ LYS 70 5.241 -9.616 -9.616 535 H LYS 71 H LYS 71 5.448 -5.926 -5.926 536 HA LYS 71 HA LYS 71 7.259 -3.885 -3.885 537 1HB LYS 71 2HB LYS 71 7.569 -6.445 -6.445 538 2HB LYS 71 1HB LYS 71 6.968 -6.341 -6.341 539 1HG LYS 71 2HG LYS 71 9.130 -4.466 -4.466 540 2HG LYS 71 1HG LYS 71 9.570 -6.175 -6.175 541 1HD LYS 71 2HD LYS 71 8.075 -5.945 -5.945 542 2HD LYS 71 1HD LYS 71 8.981 -4.432 -4.432 543 1HE LYS 71 2HE LYS 71 10.087 -7.233 -7.233 544 2HE LYS 71 1HE LYS 71 10.270 -6.048 -6.048 545 1HZ LYS 71 2HZ LYS 71 11.331 -4.658 -4.658 546 2HZ LYS 71 1HZ LYS 71 11.611 -6.186 -6.186 547 3HZ LYS 71 3HZ LYS 71 12.244 -5.798 -5.798 548 H LEU 72 H LEU 72 4.231 -4.490 -4.490 549 HA LEU 72 HA LEU 72 4.974 -3.230 -3.230 550 1HB LEU 72 2HB LEU 72 2.428 -4.568 -4.568 551 2HB LEU 72 1HB LEU 72 2.622 -3.795 -3.795 552 HG LEU 72 HG LEU 72 3.672 -5.573 -5.573 553 1HD1 LEU 72 3HD1 LEU 72 5.719 -5.050 -5.050 554 2HD1 LEU 72 2HD1 LEU 72 5.118 -6.096 -6.096 555 3HD1 LEU 72 1HD1 LEU 72 5.490 -6.775 -6.775 556 1HD2 LEU 72 3HD2 LEU 72 1.981 -6.440 -6.440 557 2HD2 LEU 72 2HD2 LEU 72 2.318 -7.224 -7.224 558 3HD2 LEU 72 1HD2 LEU 72 3.338 -7.556 -7.556 559 H VAL 73 H VAL 73 2.154 -2.947 -2.947 560 HA VAL 73 HA VAL 73 1.747 -0.223 -0.223 561 HB VAL 73 HB VAL 73 -0.076 -1.911 -1.911 562 1HG1 VAL 73 2HG1 VAL 73 0.913 -2.605 -2.605 563 2HG1 VAL 73 1HG1 VAL 73 0.588 -0.996 -0.996 564 3HG1 VAL 73 3HG1 VAL 73 -0.750 -2.039 -2.039 565 1HG2 VAL 73 3HG2 VAL 73 -0.077 0.883 0.883 566 2HG2 VAL 73 2HG2 VAL 73 -0.622 0.363 0.363 567 3HG2 VAL 73 1HG2 VAL 73 -1.517 -0.122 -0.122 568 H LYS 74 H LYS 74 2.762 -1.837 -1.837 569 HA LYS 74 HA LYS 74 3.035 0.511 0.511 570 1HB LYS 74 2HB LYS 74 3.198 -2.093 -2.093 571 2HB LYS 74 1HB LYS 74 4.917 -1.743 -1.743 572 1HG LYS 74 2HG LYS 74 4.071 0.323 0.323 573 2HG LYS 74 1HG LYS 74 2.980 -0.966 -0.966 574 1HD LYS 74 2HD LYS 74 5.741 -1.860 -1.860 575 2HD LYS 74 1HD LYS 74 5.552 -0.548 -0.548 576 1HE LYS 74 2HE LYS 74 3.587 -1.925 -1.925 577 2HE LYS 74 1HE LYS 74 4.272 -3.261 -3.261 578 1HZ LYS 74 1HZ LYS 74 6.171 -1.829 -1.829 579 2HZ LYS 74 3HZ LYS 74 4.967 -2.640 -2.640 580 3HZ LYS 74 2HZ LYS 74 5.955 -3.494 -3.494 581 H ALA 75 H ALA 75 5.296 -1.277 -1.277 582 HA ALA 75 HA ALA 75 7.548 0.362 0.362 583 1HB ALA 75 2HB ALA 75 7.332 -1.996 -1.996 584 2HB ALA 75 1HB ALA 75 7.232 -1.022 -1.022 585 3HB ALA 75 3HB ALA 75 8.645 -0.896 -0.896 586 H PHE 76 H PHE 76 5.017 0.400 0.400 587 HA PHE 76 HA PHE 76 5.926 2.324 2.324 588 1HB PHE 76 2HB PHE 76 3.653 1.053 1.053 589 2HB PHE 76 1HB PHE 76 3.083 2.455 2.455 590 HD1 PHE 76 HD1 PHE 76 4.696 1.452 1.452 591 HD2 PHE 76 HD2 PHE 76 2.384 4.369 4.369 592 HE1 PHE 76 HE1 PHE 76 4.310 2.638 2.638 593 HE2 PHE 76 HE2 PHE 76 1.993 5.560 5.560 594 HZ PHE 76 HZ PHE 76 2.956 4.693 4.693 595 H LYS 77 H LYS 77 4.117 2.946 2.946 596 HA LYS 77 HA LYS 77 4.217 5.751 5.751 597 1HB LYS 77 2HB LYS 77 3.894 3.836 3.836 598 2HB LYS 77 1HB LYS 77 3.876 5.579 5.579 599 1HG LYS 77 2HG LYS 77 1.929 5.813 5.813 600 2HG LYS 77 1HG LYS 77 2.012 4.123 4.123 601 1HD LYS 77 2HD LYS 77 1.639 5.003 5.003 602 2HD LYS 77 1HD LYS 77 0.302 4.626 4.626 603 1HE LYS 77 2HE LYS 77 0.619 2.417 2.417 604 2HE LYS 77 1HE LYS 77 2.371 2.565 2.565 605 1HZ LYS 77 1HZ LYS 77 0.821 3.183 3.183 606 2HZ LYS 77 3HZ LYS 77 1.570 1.695 1.695 607 3HZ LYS 77 2HZ LYS 77 2.503 3.099 3.099 608 H LYS 78 H LYS 78 6.611 3.431 3.431 609 HA LYS 78 HA LYS 78 8.249 5.252 5.252 610 1HB LYS 78 2HB LYS 78 8.159 2.706 2.706 611 2HB LYS 78 1HB LYS 78 9.129 2.643 2.643 612 1HG LYS 78 2HG LYS 78 10.675 2.482 2.482 613 2HG LYS 78 1HG LYS 78 10.768 4.167 4.167 614 1HD LYS 78 2HD LYS 78 8.755 3.835 3.835 615 2HD LYS 78 1HD LYS 78 10.308 3.202 3.202 616 1HE LYS 78 2HE LYS 78 11.376 5.269 5.269 617 2HE LYS 78 1HE LYS 78 10.083 5.897 5.897 618 1HZ LYS 78 1HZ LYS 78 8.706 5.486 5.486 619 2HZ LYS 78 3HZ LYS 78 10.222 5.694 5.694 620 3HZ LYS 78 2HZ LYS 78 9.570 6.918 6.918 621 H LYS 79 H LYS 79 7.734 4.552 4.552 622 HA LYS 79 HA LYS 79 10.316 5.720 5.720 623 1HB LYS 79 2HB LYS 79 9.747 3.546 3.546 624 2HB LYS 79 1HB LYS 79 8.300 4.257 4.257 625 1HG LYS 79 2HG LYS 79 9.546 5.596 5.596 626 2HG LYS 79 1HG LYS 79 11.048 5.310 5.310 627 1HD LYS 79 2HD LYS 79 10.665 2.830 2.830 628 2HD LYS 79 1HD LYS 79 9.536 3.455 3.455 629 1HE LYS 79 2HE LYS 79 11.723 3.113 3.113 630 2HE LYS 79 1HE LYS 79 11.331 4.832 4.832 631 1HZ LYS 79 3HZ LYS 79 12.837 3.720 3.720 632 2HZ LYS 79 2HZ LYS 79 13.656 3.929 3.929 633 3HZ LYS 79 1HZ LYS 79 12.928 5.254 5.254 634 H PHE 80 H PHE 80 6.835 6.018 6.018 635 HA PHE 80 HA PHE 80 7.368 8.714 8.714 636 1HB PHE 80 2HB PHE 80 4.805 7.287 7.287 637 2HB PHE 80 1HB PHE 80 5.658 8.482 8.482 638 HD1 PHE 80 HD1 PHE 80 5.577 4.942 4.942 639 HD2 PHE 80 HD2 PHE 80 7.278 7.836 7.836 640 HE1 PHE 80 HE1 PHE 80 6.536 3.138 3.138 641 HE2 PHE 80 HE2 PHE 80 8.240 6.035 6.035 642 HZ PHE 80 HZ PHE 80 7.869 3.683 3.683 643 H ALA 81 H ALA 81 5.834 6.959 6.959 644 HA ALA 81 HA ALA 81 4.627 7.634 7.634 645 1HB ALA 81 3HB ALA 81 6.257 9.644 9.644 646 2HB ALA 81 2HB ALA 81 4.822 10.495 10.495 647 3HB ALA 81 1HB ALA 81 4.848 9.799 9.799 648 H CYS 82 H CYS 82 3.317 6.891 6.891 649 HA CYS 82 HA CYS 82 1.006 8.695 8.695 650 1HB CYS 82 2HB CYS 82 2.270 6.826 6.826 651 2HB CYS 82 1HB CYS 82 0.511 6.796 6.796 652 HG CYS 82 HG CYS 82 0.557 9.350 9.350 653 H ASN 83 H ASN 83 -0.976 8.099 8.099 654 HA ASN 83 HA ASN 83 -1.236 5.972 5.972 655 1HB ASN 83 2HB ASN 83 -2.807 8.188 8.188 656 2HB ASN 83 1HB ASN 83 -3.815 6.747 6.747 657 1HD2 ASN 83 2HD2 ASN 83 -2.111 7.496 7.496 658 2HD2 ASN 83 1HD2 ASN 83 -1.165 7.540 7.540 659 H GLY 84 H GLY 84 -1.151 3.901 3.901 660 1HA GLY 84 2HA GLY 84 -2.563 3.078 3.078 661 2HA GLY 84 1HA GLY 84 -1.159 2.253 2.253 662 H THR 85 H THR 85 -4.109 1.560 1.560 663 HA THR 85 HA THR 85 -4.512 0.109 0.109 664 HB THR 85 HB THR 85 -6.969 0.446 0.446 665 HG1 THR 85 HG1 THR 85 -7.403 1.070 1.070 666 1HG2 THR 85 2HG2 THR 85 -5.343 2.962 2.962 667 2HG2 THR 85 1HG2 THR 85 -7.052 2.814 2.814 668 3HG2 THR 85 3HG2 THR 85 -5.845 1.879 1.879 669 H VAL 86 H VAL 86 -4.592 -2.002 -2.002 670 HA VAL 86 HA VAL 86 -4.791 -3.097 -3.097 671 HB VAL 86 HB VAL 86 -3.288 -4.110 -4.110 672 1HG1 VAL 86 1HG1 VAL 86 -5.234 -3.699 -3.699 673 2HG1 VAL 86 3HG1 VAL 86 -5.425 -5.426 -5.426 674 3HG1 VAL 86 2HG1 VAL 86 -3.868 -4.791 -4.791 675 1HG2 VAL 86 1HG2 VAL 86 -5.038 -5.456 -5.456 676 2HG2 VAL 86 3HG2 VAL 86 -3.528 -6.070 -6.070 677 3HG2 VAL 86 2HG2 VAL 86 -5.053 -6.388 -6.388 678 H ILE 87 H ILE 87 -6.827 -2.770 -2.770 679 HA ILE 87 HA ILE 87 -9.137 -3.682 -3.682 680 HB ILE 87 HB ILE 87 -10.507 -2.670 -2.670 681 1HG1 ILE 87 2HG1 ILE 87 -8.343 -1.245 -1.245 682 2HG1 ILE 87 1HG1 ILE 87 -8.256 -2.985 -2.985 683 1HG2 ILE 87 1HG2 ILE 87 -8.341 -0.887 -0.887 684 2HG2 ILE 87 3HG2 ILE 87 -9.836 -0.309 -0.309 685 3HG2 ILE 87 2HG2 ILE 87 -9.894 -1.261 -1.261 686 1HD1 ILE 87 3HD1 ILE 87 -10.591 -2.950 -2.950 687 2HD1 ILE 87 2HD1 ILE 87 -10.594 -1.195 -1.195 688 3HD1 ILE 87 1HD1 ILE 87 -9.514 -1.965 -1.965 689 H GLU 88 H GLU 88 -10.636 -5.198 -5.198 690 HA GLU 88 HA GLU 88 -9.436 -7.086 -7.086 691 1HB GLU 88 2HB GLU 88 -10.388 -7.666 -7.666 692 2HB GLU 88 1HB GLU 88 -11.907 -7.755 -7.755 693 1HG GLU 88 2HG GLU 88 -11.140 -9.501 -9.501 694 2HG GLU 88 1HG GLU 88 -9.461 -9.235 -9.235 695 H HIS 89 H HIS 89 -10.043 -5.469 -5.469 696 HA HIS 89 HA HIS 89 -12.539 -4.650 -4.650 697 1HB HIS 89 2HB HIS 89 -10.144 -4.418 -4.418 698 2HB HIS 89 1HB HIS 89 -10.797 -5.671 -5.671 699 HD1 HIS 89 HD1 HIS 89 -12.145 -4.870 -4.870 700 HD2 HIS 89 HD2 HIS 89 -11.898 -2.032 -2.032 701 HE1 HIS 89 HE1 HIS 89 -13.306 -2.831 -2.831 702 HE2 HIS 89 HE2 HIS 89 -13.055 -1.091 -1.091 703 HA PRO 90 HA PRO 90 -14.743 -8.389 -8.389 704 1HB PRO 90 2HB PRO 90 -16.936 -7.317 -7.317 705 2HB PRO 90 1HB PRO 90 -16.606 -7.158 -7.158 706 1HG PRO 90 2HG PRO 90 -16.166 -5.180 -5.180 707 2HG PRO 90 1HG PRO 90 -16.816 -4.916 -4.916 708 1HD PRO 90 2HD PRO 90 -14.223 -4.388 -4.388 709 2HD PRO 90 1HD PRO 90 -14.731 -4.782 -4.782 710 H GLU 91 H GLU 91 -13.795 -6.048 -6.048 711 HA GLU 91 HA GLU 91 -14.599 -7.627 -7.627 712 1HB GLU 91 2HB GLU 91 -13.751 -4.944 -4.944 713 2HB GLU 91 1HB GLU 91 -12.722 -5.643 -5.643 714 1HG GLU 91 2HG GLU 91 -14.690 -4.457 -4.457 715 2HG GLU 91 1HG GLU 91 -14.615 -6.153 -6.153 716 H TYR 92 H TYR 92 -11.815 -7.300 -7.300 717 HA TYR 92 HA TYR 92 -10.271 -8.997 -8.997 718 1HB TYR 92 2HB TYR 92 -8.986 -7.355 -7.355 719 2HB TYR 92 1HB TYR 92 -8.288 -7.954 -7.954 720 HD1 TYR 92 HD2 TYR 92 -10.403 -7.043 -7.043 721 HD2 TYR 92 HD1 TYR 92 -8.556 -5.044 -5.044 722 HE1 TYR 92 HE2 TYR 92 -10.865 -4.881 -4.881 723 HE2 TYR 92 HE1 TYR 92 -9.012 -2.874 -2.874 724 HH TYR 92 HH TYR 92 -11.104 -2.543 -2.543 725 H GLY 93 H GLY 93 -10.774 -8.301 -8.301 726 1HA GLY 93 2HA GLY 93 -11.429 -10.195 -10.195 727 2HA GLY 93 1HA GLY 93 -10.286 -11.171 -11.171 728 H GLU 94 H GLU 94 -8.418 -8.713 -8.713 729 HA GLU 94 HA GLU 94 -7.764 -8.244 -8.244 730 1HB GLU 94 2HB GLU 94 -6.884 -10.785 -10.785 731 2HB GLU 94 1HB GLU 94 -5.499 -9.785 -9.785 732 1HG GLU 94 2HG GLU 94 -5.829 -10.041 -10.041 733 2HG GLU 94 1HG GLU 94 -7.560 -9.737 -9.737 734 H VAL 95 H VAL 95 -7.084 -6.222 -6.222 735 HA VAL 95 HA VAL 95 -4.655 -5.842 -5.842 736 HB VAL 95 HB VAL 95 -5.654 -3.886 -3.886 737 1HG1 VAL 95 1HG1 VAL 95 -5.378 -6.428 -6.428 738 2HG1 VAL 95 3HG1 VAL 95 -7.122 -6.261 -6.261 739 3HG1 VAL 95 2HG1 VAL 95 -6.026 -5.172 -5.172 740 1HG2 VAL 95 1HG2 VAL 95 -7.682 -3.777 -3.777 741 2HG2 VAL 95 3HG2 VAL 95 -8.009 -3.691 -3.691 742 3HG2 VAL 95 2HG2 VAL 95 -8.291 -5.195 -5.195 743 H ILE 96 H ILE 96 -3.494 -4.019 -4.019 744 HA ILE 96 HA ILE 96 -4.195 -2.912 -2.912 745 HB ILE 96 HB ILE 96 -1.817 -2.860 -2.860 746 1HG1 ILE 96 2HG1 ILE 96 -2.291 -4.236 -4.236 747 2HG1 ILE 96 1HG1 ILE 96 -0.698 -3.511 -3.511 748 1HG2 ILE 96 2HG2 ILE 96 -2.383 -0.583 -0.583 749 2HG2 ILE 96 1HG2 ILE 96 -0.802 -0.947 -0.947 750 3HG2 ILE 96 3HG2 ILE 96 -2.137 -0.479 -0.479 751 1HD1 ILE 96 1HD1 ILE 96 -2.942 -2.357 -2.357 752 2HD1 ILE 96 3HD1 ILE 96 -1.579 -3.280 -3.280 753 3HD1 ILE 96 2HD1 ILE 96 -1.305 -1.717 -1.717 754 H GLN 97 H GLN 97 -4.344 -0.586 -0.586 755 HA GLN 97 HA GLN 97 -5.266 0.947 0.947 756 1HB GLN 97 2HB GLN 97 -6.929 -0.068 -0.068 757 2HB GLN 97 1HB GLN 97 -6.788 1.656 1.656 758 1HG GLN 97 2HG GLN 97 -7.344 1.925 1.925 759 2HG GLN 97 1HG GLN 97 -7.903 0.256 0.256 760 1HE2 GLN 97 2HE2 GLN 97 -11.020 1.479 1.479 761 2HE2 GLN 97 1HE2 GLN 97 -10.046 0.572 0.572 762 H LEU 98 H LEU 98 -3.549 2.329 2.329 763 HA LEU 98 HA LEU 98 -2.591 3.647 3.647 764 1HB LEU 98 2HB LEU 98 -1.821 4.084 4.084 765 2HB LEU 98 1HB LEU 98 -0.988 4.730 4.730 766 HG LEU 98 HG LEU 98 -1.275 1.767 1.767 767 1HD1 LEU 98 3HD1 LEU 98 0.783 3.604 3.604 768 2HD1 LEU 98 2HD1 LEU 98 1.027 1.869 1.869 769 3HD1 LEU 98 1HD1 LEU 98 -0.272 2.462 2.462 770 1HD2 LEU 98 2HD2 LEU 98 0.147 3.592 3.592 771 2HD2 LEU 98 1HD2 LEU 98 -0.370 1.922 1.922 772 3HD2 LEU 98 3HD2 LEU 98 1.124 2.264 2.264 773 H GLN 99 H GLN 99 -2.503 5.997 5.997 774 HA GLN 99 HA GLN 99 -4.970 7.186 7.186 775 1HB GLN 99 2HB GLN 99 -3.194 7.684 7.684 776 2HB GLN 99 1HB GLN 99 -4.010 9.083 9.083 777 1HG GLN 99 2HG GLN 99 -5.527 6.602 6.602 778 2HG GLN 99 1HG GLN 99 -5.136 7.810 7.810 779 1HE2 GLN 99 2HE2 GLN 99 -7.136 10.341 10.341 780 2HE2 GLN 99 1HE2 GLN 99 -5.524 10.150 10.150 781 H GLY 100 H GLY 100 -5.033 8.849 8.849 782 1HA GLY 100 2HA GLY 100 -4.275 10.618 10.618 783 2HA GLY 100 1HA GLY 100 -2.699 10.464 10.464 784 H ASP 101 H ASP 101 -2.875 10.944 10.944 785 HA ASP 101 HA ASP 101 -2.872 8.607 8.607 786 1HB ASP 101 2HB ASP 101 -1.803 10.028 10.028 787 2HB ASP 101 1HB ASP 101 -3.209 10.804 10.804 788 H GLN 102 H GLN 102 -1.562 7.011 7.011 789 HA GLN 102 HA GLN 102 1.305 7.613 7.613 790 1HB GLN 102 2HB GLN 102 -0.530 5.875 5.875 791 2HB GLN 102 1HB GLN 102 0.963 5.075 5.075 792 1HG GLN 102 2HG GLN 102 0.913 6.196 6.196 793 2HG GLN 102 1HG GLN 102 2.281 6.572 6.572 794 1HE2 GLN 102 2HE2 GLN 102 -0.585 9.477 9.477 795 2HE2 GLN 102 1HE2 GLN 102 -0.996 7.829 7.829 796 H ARG 103 H ARG 103 -0.737 6.587 6.587 797 HA ARG 103 HA ARG 103 0.046 4.142 4.142 798 1HB ARG 103 2HB ARG 103 -0.543 4.941 4.941 799 2HB ARG 103 1HB ARG 103 -1.710 5.486 5.486 800 1HG ARG 103 2HG ARG 103 -0.433 7.666 7.666 801 2HG ARG 103 1HG ARG 103 0.430 7.090 7.090 802 1HD ARG 103 2HD ARG 103 -2.482 6.838 6.838 803 2HD ARG 103 1HD ARG 103 -1.912 8.500 8.500 804 HE ARG 103 HE ARG 103 -1.708 6.836 6.836 805 1HH1 ARG 103 2HH1 ARG 103 0.001 9.311 9.311 806 2HH1 ARG 103 1HH1 ARG 103 0.864 9.882 9.882 807 1HH2 ARG 103 1HH2 ARG 103 -0.575 7.588 7.588 808 2HH2 ARG 103 2HH2 ARG 103 0.536 8.906 8.906 809 H LYS 104 H LYS 104 1.879 7.096 7.096 810 HA LYS 104 HA LYS 104 3.929 5.973 5.973 811 1HB LYS 104 2HB LYS 104 3.670 8.695 8.695 812 2HB LYS 104 1HB LYS 104 4.997 8.212 8.212 813 1HG LYS 104 2HG LYS 104 2.093 8.407 8.407 814 2HG LYS 104 1HG LYS 104 3.385 9.515 9.515 815 1HD LYS 104 2HD LYS 104 3.196 6.594 6.594 816 2HD LYS 104 1HD LYS 104 2.862 7.958 7.958 817 1HE LYS 104 2HE LYS 104 5.234 8.718 8.718 818 2HE LYS 104 1HE LYS 104 5.496 7.148 7.148 819 1HZ LYS 104 2HZ LYS 104 4.425 7.332 7.332 820 2HZ LYS 104 1HZ LYS 104 6.089 7.432 7.432 821 3HZ LYS 104 3HZ LYS 104 5.236 6.044 6.044 822 H ASN 105 H ASN 105 3.296 6.589 6.589 823 HA ASN 105 HA ASN 105 6.077 6.217 6.217 824 1HB ASN 105 2HB ASN 105 3.546 6.948 6.948 825 2HB ASN 105 1HB ASN 105 4.807 6.177 6.177 826 1HD2 ASN 105 2HD2 ASN 105 5.017 10.048 10.048 827 2HD2 ASN 105 1HD2 ASN 105 3.613 9.064 9.064 828 H ILE 106 H ILE 106 3.015 4.442 4.442 829 HA ILE 106 HA ILE 106 3.934 2.286 2.286 830 HB ILE 106 HB ILE 106 1.545 2.747 2.747 831 1HG1 ILE 106 2HG1 ILE 106 0.874 0.412 0.412 832 2HG1 ILE 106 1HG1 ILE 106 2.444 -0.044 -0.044 833 1HG2 ILE 106 1HG2 ILE 106 1.874 3.157 3.157 834 2HG2 ILE 106 3HG2 ILE 106 2.058 1.416 1.416 835 3HG2 ILE 106 2HG2 ILE 106 0.534 2.076 2.076 836 1HD1 ILE 106 2HD1 ILE 106 2.677 1.399 1.399 837 2HD1 ILE 106 1HD1 ILE 106 1.698 -0.061 -0.061 838 3HD1 ILE 106 3HD1 ILE 106 3.344 -0.163 -0.163 839 H CYS 107 H CYS 107 3.761 2.645 2.645 840 HA CYS 107 HA CYS 107 4.872 0.149 0.149 841 1HB CYS 107 2HB CYS 107 4.967 2.812 2.812 842 2HB CYS 107 1HB CYS 107 5.614 1.328 1.328 843 HG CYS 107 HG CYS 107 3.166 0.373 0.373 844 H GLN 108 H GLN 108 6.232 3.186 3.186 845 HA GLN 108 HA GLN 108 8.968 2.542 2.542 846 1HB GLN 108 2HB GLN 108 8.600 4.827 4.827 847 2HB GLN 108 1HB GLN 108 7.457 4.714 4.714 848 1HG GLN 108 2HG GLN 108 9.150 5.664 5.664 849 2HG GLN 108 1HG GLN 108 9.669 3.992 3.992 850 1HE2 GLN 108 2HE2 GLN 108 12.463 4.282 4.282 851 2HE2 GLN 108 1HE2 GLN 108 11.328 3.200 3.200 852 H PHE 109 H PHE 109 6.718 2.155 2.155 853 HA PHE 109 HA PHE 109 8.655 1.442 1.442 854 1HB PHE 109 2HB PHE 109 6.472 2.348 2.348 855 2HB PHE 109 1HB PHE 109 5.664 0.984 0.984 856 HD1 PHE 109 HD2 PHE 109 8.191 1.732 1.732 857 HD2 PHE 109 HD1 PHE 109 5.057 -0.819 -0.819 858 HE1 PHE 109 HE2 PHE 109 8.295 0.501 0.501 859 HE2 PHE 109 HE1 PHE 109 5.156 -2.058 -2.058 860 HZ PHE 109 HZ PHE 109 6.778 -1.399 -1.399 861 H LEU 110 H LEU 110 6.414 -0.331 -0.331 862 HA LEU 110 HA LEU 110 6.916 -2.912 -2.912 863 1HB LEU 110 2HB LEU 110 5.885 -1.726 -1.726 864 2HB LEU 110 1HB LEU 110 6.363 -3.411 -3.411 865 HG LEU 110 HG LEU 110 4.695 -4.047 -4.047 866 1HD1 LEU 110 2HD1 LEU 110 4.302 -1.122 -1.122 867 2HD1 LEU 110 1HD1 LEU 110 3.328 -2.443 -2.443 868 3HD1 LEU 110 3HD1 LEU 110 5.039 -2.328 -2.328 869 1HD2 LEU 110 2HD2 LEU 110 3.951 -3.261 -3.261 870 2HD2 LEU 110 1HD2 LEU 110 2.710 -3.461 -3.461 871 3HD2 LEU 110 3HD2 LEU 110 3.298 -1.849 -1.849 872 H VAL 111 H VAL 111 8.757 -0.850 -0.850 873 HA VAL 111 HA VAL 111 10.537 -3.028 -3.028 874 HB VAL 111 HB VAL 111 10.647 -0.100 -0.100 875 1HG1 VAL 111 1HG1 VAL 111 12.160 -2.503 -2.503 876 2HG1 VAL 111 3HG1 VAL 111 12.105 -0.958 -0.958 877 3HG1 VAL 111 2HG1 VAL 111 12.816 -1.056 -1.056 878 1HG2 VAL 111 2HG2 VAL 111 8.888 -2.157 -2.157 879 2HG2 VAL 111 1HG2 VAL 111 9.016 -0.497 -0.497 880 3HG2 VAL 111 3HG2 VAL 111 9.983 -1.768 -1.768 881 H GLU 112 H GLU 112 10.406 -0.291 -0.291 882 HA GLU 112 HA GLU 112 13.202 -0.142 -0.142 883 1HB GLU 112 2HB GLU 112 10.747 0.935 0.935 884 2HB GLU 112 1HB GLU 112 12.328 1.092 1.092 885 1HG GLU 112 2HG GLU 112 12.246 1.932 1.932 886 2HG GLU 112 1HG GLU 112 11.217 2.878 2.878 887 H ILE 113 H ILE 113 10.461 -1.703 -1.703 888 HA ILE 113 HA ILE 113 12.188 -2.845 -2.845 889 HB ILE 113 HB ILE 113 10.225 -3.679 -3.679 890 1HG1 ILE 113 2HG1 ILE 113 8.795 -3.054 -3.054 891 2HG1 ILE 113 1HG1 ILE 113 9.089 -4.649 -4.649 892 1HG2 ILE 113 2HG2 ILE 113 10.665 -1.099 -1.099 893 2HG2 ILE 113 1HG2 ILE 113 9.133 -1.138 -1.138 894 3HG2 ILE 113 3HG2 ILE 113 9.213 -1.705 -1.705 895 1HD1 ILE 113 2HD1 ILE 113 7.677 -3.017 -3.017 896 2HD1 ILE 113 1HD1 ILE 113 6.840 -3.034 -3.034 897 3HD1 ILE 113 3HD1 ILE 113 7.208 -4.551 -4.551 898 H GLY 114 H GLY 114 10.761 -3.761 -3.761 899 1HA GLY 114 2HA GLY 114 11.535 -5.607 -5.607 900 2HA GLY 114 1HA GLY 114 12.057 -6.382 -6.382 901 H LEU 115 H LEU 115 8.924 -4.898 -4.898 902 HA LEU 115 HA LEU 115 7.617 -7.363 -7.363 903 1HB LEU 115 2HB LEU 115 7.059 -4.697 -4.697 904 2HB LEU 115 1HB LEU 115 5.922 -5.143 -5.143 905 HG LEU 115 HG LEU 115 4.887 -6.778 -6.778 906 1HD1 LEU 115 1HD1 LEU 115 7.318 -6.418 -6.418 907 2HD1 LEU 115 3HD1 LEU 115 5.804 -6.901 -6.901 908 3HD1 LEU 115 2HD1 LEU 115 6.507 -7.899 -7.899 909 1HD2 LEU 115 1HD2 LEU 115 4.761 -4.125 -4.125 910 2HD2 LEU 115 3HD2 LEU 115 3.763 -5.332 -5.332 911 3HD2 LEU 115 2HD2 LEU 115 5.227 -4.730 -4.730 912 H ALA 116 H ALA 116 6.823 -5.074 -5.074 913 HA ALA 116 HA ALA 116 5.919 -7.310 -7.310 914 1HB ALA 116 1HB ALA 116 4.671 -5.057 -5.057 915 2HB ALA 116 3HB ALA 116 5.752 -4.458 -4.458 916 3HB ALA 116 2HB ALA 116 4.663 -5.802 -5.802 917 H LYS 117 H LYS 117 6.316 -6.240 -6.240 918 HA LYS 117 HA LYS 117 9.177 -5.769 -5.769 919 1HB LYS 117 2HB LYS 117 7.761 -8.251 -8.251 920 2HB LYS 117 1HB LYS 117 9.016 -7.613 -7.613 921 1HG LYS 117 2HG LYS 117 10.031 -7.613 -7.613 922 2HG LYS 117 1HG LYS 117 9.291 -9.186 -9.186 923 1HD LYS 117 2HD LYS 117 11.618 -9.255 -9.255 924 2HD LYS 117 1HD LYS 117 10.605 -9.369 -9.369 925 1HE LYS 117 2HE LYS 117 11.301 -7.379 -7.379 926 2HE LYS 117 1HE LYS 117 11.386 -6.642 -6.642 927 1HZ LYS 117 3HZ LYS 117 13.445 -7.981 -7.981 928 2HZ LYS 117 2HZ LYS 117 13.394 -8.412 -8.412 929 3HZ LYS 117 1HZ LYS 117 13.581 -6.790 -6.790 930 H ASP 118 H ASP 118 9.775 -4.974 -4.974 931 HA ASP 118 HA ASP 118 7.976 -3.170 -3.170 932 1HB ASP 118 2HB ASP 118 10.334 -2.850 -2.850 933 2HB ASP 118 1HB ASP 118 10.485 -4.380 -4.380 934 H ASP 119 H ASP 119 8.377 -6.541 -6.541 935 HA ASP 119 HA ASP 119 7.031 -6.557 -6.557 936 1HB ASP 119 2HB ASP 119 7.553 -8.848 -8.848 937 2HB ASP 119 1HB ASP 119 7.079 -8.989 -8.989 938 H GLN 120 H GLN 120 6.144 -6.511 -6.511 939 HA GLN 120 HA GLN 120 3.390 -7.283 -7.283 940 1HB GLN 120 2HB GLN 120 4.540 -6.922 -6.922 941 2HB GLN 120 1HB GLN 120 3.066 -7.761 -7.761 942 1HG GLN 120 2HG GLN 120 4.487 -9.422 -9.422 943 2HG GLN 120 1HG GLN 120 5.895 -8.639 -8.639 944 1HE2 GLN 120 2HE2 GLN 120 4.488 -9.530 -9.530 945 2HE2 GLN 120 1HE2 GLN 120 4.692 -8.046 -8.046 946 H LEU 121 H LEU 121 5.341 -4.607 -4.607 947 HA LEU 121 HA LEU 121 3.862 -2.860 -2.860 948 1HB LEU 121 2HB LEU 121 5.736 -2.509 -2.509 949 2HB LEU 121 1HB LEU 121 4.826 -1.115 -1.115 950 HG LEU 121 HG LEU 121 6.690 -2.780 -2.780 951 1HD1 LEU 121 2HD1 LEU 121 7.187 -0.633 -0.633 952 2HD1 LEU 121 1HD1 LEU 121 7.457 -0.058 -0.058 953 3HD1 LEU 121 3HD1 LEU 121 8.324 -1.477 -1.477 954 1HD2 LEU 121 3HD2 LEU 121 4.924 -0.433 -0.433 955 2HD2 LEU 121 2HD2 LEU 121 5.031 -1.986 -1.986 956 3HD2 LEU 121 1HD2 LEU 121 6.346 -0.819 -0.819 957 H LYS 122 H LYS 122 1.665 -3.030 -3.030 958 HA LYS 122 HA LYS 122 0.597 -2.191 -2.191 959 1HB LYS 122 2HB LYS 122 -0.271 -4.191 -4.191 960 2HB LYS 122 1HB LYS 122 -1.561 -3.200 -3.200 961 1HG LYS 122 2HG LYS 122 0.431 -4.725 -4.725 962 2HG LYS 122 1HG LYS 122 -1.171 -5.324 -5.324 963 1HD LYS 122 2HD LYS 122 -2.233 -3.934 -3.934 964 2HD LYS 122 1HD LYS 122 -1.057 -2.636 -2.636 965 1HE LYS 122 2HE LYS 122 0.324 -3.425 -3.425 966 2HE LYS 122 1HE LYS 122 -0.139 -5.105 -5.105 967 1HZ LYS 122 1HZ LYS 122 -2.301 -4.571 -4.571 968 2HZ LYS 122 3HZ LYS 122 -1.711 -3.030 -3.030 969 3HZ LYS 122 2HZ LYS 122 -0.988 -4.403 -4.403 970 H VAL 123 H VAL 123 0.974 0.034 0.034 971 HA VAL 123 HA VAL 123 -0.636 1.097 1.097 972 HB VAL 123 HB VAL 123 1.668 1.925 1.925 973 1HG1 VAL 123 2HG1 VAL 123 1.171 1.879 1.879 974 2HG1 VAL 123 1HG1 VAL 123 0.993 3.599 3.599 975 3HG1 VAL 123 3HG1 VAL 123 2.495 2.769 2.769 976 1HG2 VAL 123 1HG2 VAL 123 -0.698 3.711 3.711 977 2HG2 VAL 123 3HG2 VAL 123 0.510 3.498 3.498 978 3HG2 VAL 123 2HG2 VAL 123 0.894 4.451 4.451 979 H HIS 124 H HIS 124 -2.709 1.555 1.555 980 HA HIS 124 HA HIS 124 -3.420 2.553 2.553 981 1HB HIS 124 2HB HIS 124 -5.232 1.156 1.156 982 2HB HIS 124 1HB HIS 124 -5.622 1.604 1.604 983 HD1 HIS 124 HD1 HIS 124 -5.085 -0.068 -0.068 984 HD2 HIS 124 HD2 HIS 124 -3.232 -0.946 -0.946 985 HE1 HIS 124 HE1 HIS 124 -4.019 -2.322 -2.322 986 HE2 HIS 124 HE2 HIS 124 -3.044 -2.897 -2.897 987 H GLY 125 H GLY 125 -3.562 3.161 3.161 988 1HA GLY 125 2HA GLY 125 -4.369 4.935 4.935 989 2HA GLY 125 1HA GLY 125 -3.977 5.883 5.883 990 H PHE 126 HN PHE 126 -5.596 6.837 6.837 991 HA PHE 126 HA PHE 126 -8.161 5.763 5.763 992 1HB PHE 126 2HB PHE 126 -9.523 6.933 6.933 993 2HB PHE 126 1HB PHE 126 -8.200 6.288 6.288 994 HD1 PHE 126 HD2 PHE 126 -6.084 8.298 8.298 995 HD2 PHE 126 HD1 PHE 126 -10.190 8.762 8.762 996 HE1 PHE 126 HE2 PHE 126 -5.613 10.558 10.558 997 HE2 PHE 126 HE1 PHE 126 -9.726 11.026 11.026 998 HZ PHE 126 HZ PHE 126 -7.435 11.925 11.925 Start of MODEL 16 1 1H MET 1 2H MET 1 27.228 -6.909 -6.909 2 2H MET 1 1H MET 1 26.313 -7.871 -7.871 3 3H MET 1 3H MET 1 27.543 -8.591 -8.591 4 HA MET 1 HA MET 1 25.489 -9.141 -9.141 5 1HB MET 1 2HB MET 1 24.476 -7.020 -7.020 6 2HB MET 1 1HB MET 1 24.869 -6.230 -6.230 7 1HG MET 1 2HG MET 1 23.584 -8.258 -8.258 8 2HG MET 1 1HG MET 1 22.870 -8.358 -8.358 9 1HE MET 1 2HE MET 1 21.469 -6.725 -6.725 10 2HE MET 1 1HE MET 1 20.369 -5.672 -5.672 11 3HE MET 1 3HE MET 1 20.338 -7.414 -7.414 12 H ARG 2 H ARG 2 27.439 -9.654 -9.654 13 HA ARG 2 HA ARG 2 27.541 -7.961 -7.961 14 1HB ARG 2 2HB ARG 2 29.911 -8.733 -8.733 15 2HB ARG 2 1HB ARG 2 29.636 -7.684 -7.684 16 1HG ARG 2 2HG ARG 2 29.737 -9.516 -9.516 17 2HG ARG 2 1HG ARG 2 29.721 -10.683 -10.683 18 1HD ARG 2 2HD ARG 2 31.968 -10.418 -10.418 19 2HD ARG 2 1HD ARG 2 31.893 -9.871 -9.871 20 HE ARG 2 HE ARG 2 31.455 -7.646 -7.646 21 1HH1 ARG 2 2HH1 ARG 2 34.015 -9.948 -9.948 22 2HH1 ARG 2 1HH1 ARG 2 35.278 -8.827 -8.827 23 1HH2 ARG 2 1HH2 ARG 2 33.114 -6.170 -6.170 24 2HH2 ARG 2 2HH2 ARG 2 34.766 -6.682 -6.682 25 H GLY 3 H GLY 3 25.856 -10.288 -10.288 26 1HA GLY 3 2HA GLY 3 26.389 -11.755 -11.755 27 2HA GLY 3 1HA GLY 3 26.599 -12.710 -12.710 28 H SER 4 H SER 4 24.222 -10.168 -10.168 29 HA SER 4 HA SER 4 21.954 -10.186 -10.186 30 1HB SER 4 2HB SER 4 22.392 -12.584 -12.584 31 2HB SER 4 1HB SER 4 20.782 -12.000 -12.000 32 HG SER 4 HG SER 4 21.541 -11.105 -11.105 33 H HIS 5 H HIS 5 22.273 -10.609 -10.609 34 HA HIS 5 HA HIS 5 21.681 -11.628 -11.628 35 1HB HIS 5 2HB HIS 5 20.024 -13.312 -13.312 36 2HB HIS 5 1HB HIS 5 19.935 -13.437 -13.437 37 HD1 HIS 5 HD1 HIS 5 17.745 -12.359 -12.359 38 HD2 HIS 5 HD2 HIS 5 19.846 -10.190 -10.190 39 HE1 HIS 5 HE1 HIS 5 16.383 -10.285 -10.285 40 HE2 HIS 5 HE2 HIS 5 17.631 -9.028 -9.028 41 H HIS 6 H HIS 6 21.564 -14.544 -14.544 42 HA HIS 6 HA HIS 6 24.148 -15.439 -15.439 43 1HB HIS 6 2HB HIS 6 21.650 -16.348 -16.348 44 2HB HIS 6 1HB HIS 6 22.714 -17.650 -17.650 45 HD1 HIS 6 HD1 HIS 6 22.346 -15.001 -15.001 46 HD2 HIS 6 HD2 HIS 6 25.241 -17.712 -17.712 47 HE1 HIS 6 HE1 HIS 6 24.060 -15.042 -15.042 48 HE2 HIS 6 HE2 HIS 6 25.759 -16.753 -16.753 49 H HIS 7 H HIS 7 25.070 -16.701 -16.701 50 HA HIS 7 HA HIS 7 23.413 -18.298 -18.298 51 1HB HIS 7 2HB HIS 7 24.982 -15.910 -15.910 52 2HB HIS 7 1HB HIS 7 25.108 -17.317 -17.317 53 HD1 HIS 7 HD1 HIS 7 22.194 -18.304 -18.304 54 HD2 HIS 7 HD2 HIS 7 23.297 -14.329 -14.329 55 HE1 HIS 7 HE1 HIS 7 20.232 -17.198 -17.198 56 HE2 HIS 7 HE2 HIS 7 20.954 -14.812 -14.812 57 H HIS 8 H HIS 8 24.247 -20.226 -20.226 58 HA HIS 8 HA HIS 8 27.056 -20.703 -20.703 59 1HB HIS 8 2HB HIS 8 26.980 -20.251 -20.251 60 2HB HIS 8 1HB HIS 8 25.810 -21.552 -21.552 61 HD1 HIS 8 HD1 HIS 8 29.384 -21.079 -21.079 62 HD2 HIS 8 HD2 HIS 8 26.931 -23.975 -23.975 63 HE1 HIS 8 HE1 HIS 8 30.889 -23.033 -23.033 64 HE2 HIS 8 HE2 HIS 8 29.368 -24.804 -24.804 65 H HIS 9 H HIS 9 24.443 -22.546 -22.546 66 HA HIS 9 HA HIS 9 23.971 -24.165 -24.165 67 1HB HIS 9 2HB HIS 9 26.186 -24.978 -24.978 68 2HB HIS 9 1HB HIS 9 25.040 -25.760 -25.760 69 HD1 HIS 9 HD1 HIS 9 24.564 -28.084 -28.084 70 HD2 HIS 9 HD2 HIS 9 25.423 -25.698 -25.698 71 HE1 HIS 9 HE1 HIS 9 24.446 -29.617 -29.617 72 HE2 HIS 9 HE2 HIS 9 24.883 -28.133 -28.133 73 H HIS 10 H HIS 10 22.160 -22.727 -22.727 74 HA HIS 10 HA HIS 10 20.496 -24.754 -24.754 75 1HB HIS 10 2HB HIS 10 21.735 -23.003 -23.003 76 2HB HIS 10 1HB HIS 10 20.360 -22.005 -22.005 77 HD1 HIS 10 HD1 HIS 10 20.156 -25.724 -25.724 78 HD2 HIS 10 HD2 HIS 10 19.009 -22.159 -22.159 79 HE1 HIS 10 HE1 HIS 10 18.646 -26.385 -26.385 80 HE2 HIS 10 HE2 HIS 10 17.899 -24.208 -24.208 81 H THR 11 H THR 11 19.071 -24.925 -24.925 82 HA THR 11 HA THR 11 18.106 -22.728 -22.728 83 HB THR 11 HB THR 11 16.364 -24.388 -24.388 84 HG1 THR 11 HG1 THR 11 16.452 -26.437 -26.437 85 1HG2 THR 11 2HG2 THR 11 19.210 -25.356 -25.356 86 2HG2 THR 11 1HG2 THR 11 17.897 -25.875 -25.875 87 3HG2 THR 11 3HG2 THR 11 18.464 -24.206 -24.206 88 H ASP 12 H ASP 12 16.649 -21.253 -21.253 89 HA ASP 12 HA ASP 12 14.905 -21.767 -21.767 90 1HB ASP 12 2HB ASP 12 15.512 -19.118 -19.118 91 2HB ASP 12 1HB ASP 12 14.680 -19.373 -19.373 92 HA PRO 13 HA PRO 13 11.796 -22.136 -22.136 93 1HB PRO 13 2HB PRO 13 10.046 -23.571 -23.571 94 2HB PRO 13 1HB PRO 13 11.449 -24.307 -24.307 95 1HG PRO 13 2HG PRO 13 11.095 -23.475 -23.475 96 2HG PRO 13 1HG PRO 13 11.818 -24.958 -24.958 97 1HD PRO 13 2HD PRO 13 13.302 -22.858 -22.858 98 2HD PRO 13 1HD PRO 13 13.828 -23.930 -23.930 99 H MET 14 H MET 14 11.947 -20.400 -20.400 100 HA MET 14 HA MET 14 10.620 -18.787 -18.787 101 1HB MET 14 2HB MET 14 10.647 -18.298 -18.298 102 2HB MET 14 1HB MET 14 8.921 -18.464 -18.464 103 1HG MET 14 2HG MET 14 8.793 -16.491 -16.491 104 2HG MET 14 1HG MET 14 10.249 -16.786 -16.786 105 1HE MET 14 1HE MET 14 10.321 -14.425 -14.425 106 2HE MET 14 3HE MET 14 11.965 -14.180 -14.180 107 3HE MET 14 2HE MET 14 10.615 -13.360 -13.360 108 H SER 15 H SER 15 9.911 -21.490 -21.490 109 HA SER 15 HA SER 15 8.187 -22.852 -22.852 110 1HB SER 15 2HB SER 15 7.835 -20.472 -20.472 111 2HB SER 15 1HB SER 15 6.285 -20.644 -20.644 112 HG SER 15 HG SER 15 7.418 -22.194 -22.194 113 H ALA 16 H ALA 16 8.434 -21.958 -21.958 114 HA ALA 16 HA ALA 16 7.385 -22.158 -22.158 115 1HB ALA 16 1HB ALA 16 5.458 -23.631 -23.631 116 2HB ALA 16 3HB ALA 16 5.167 -23.425 -23.425 117 3HB ALA 16 2HB ALA 16 6.611 -24.273 -24.273 118 H ILE 17 H ILE 17 7.145 -19.812 -19.812 119 HA ILE 17 HA ILE 17 4.503 -18.747 -18.747 120 HB ILE 17 HB ILE 17 7.230 -17.615 -17.615 121 1HG1 ILE 17 2HG1 ILE 17 4.815 -17.241 -17.241 122 2HG1 ILE 17 1HG1 ILE 17 5.598 -18.817 -18.817 123 1HG2 ILE 17 3HG2 ILE 17 4.827 -16.108 -16.108 124 2HG2 ILE 17 2HG2 ILE 17 5.765 -15.464 -15.464 125 3HG2 ILE 17 1HG2 ILE 17 6.536 -15.729 -15.729 126 1HD1 ILE 17 1HD1 ILE 17 7.759 -17.436 -17.436 127 2HD1 ILE 17 3HD1 ILE 17 6.614 -16.223 -16.223 128 3HD1 ILE 17 2HD1 ILE 17 6.642 -17.826 -17.826 129 H GLN 18 H GLN 18 3.459 -18.224 -18.224 130 HA GLN 18 HA GLN 18 5.011 -17.209 -17.209 131 1HB GLN 18 2HB GLN 18 2.346 -18.614 -18.614 132 2HB GLN 18 1HB GLN 18 3.440 -18.219 -18.219 133 1HG GLN 18 2HG GLN 18 5.039 -19.763 -19.763 134 2HG GLN 18 1HG GLN 18 3.463 -20.481 -20.481 135 1HE2 GLN 18 2HE2 GLN 18 3.007 -21.100 -21.100 136 2HE2 GLN 18 1HE2 GLN 18 2.211 -20.149 -20.149 137 H ASN 19 H ASN 19 2.931 -16.306 -16.306 138 HA ASN 19 HA ASN 19 2.022 -13.999 -13.999 139 1HB ASN 19 2HB ASN 19 2.180 -14.360 -14.360 140 2HB ASN 19 1HB ASN 19 1.719 -12.879 -12.879 141 1HD2 ASN 19 2HD2 ASN 19 5.583 -13.830 -13.830 142 2HD2 ASN 19 1HD2 ASN 19 4.280 -14.814 -14.814 143 H LEU 20 H LEU 20 0.657 -16.514 -16.514 144 HA LEU 20 HA LEU 20 -1.933 -15.786 -15.786 145 1HB LEU 20 2HB LEU 20 -0.500 -18.347 -18.347 146 2HB LEU 20 1HB LEU 20 -2.185 -18.450 -18.450 147 HG LEU 20 HG LEU 20 -1.786 -18.921 -18.921 148 1HD1 LEU 20 3HD1 LEU 20 -3.650 -16.947 -16.947 149 2HD1 LEU 20 2HD1 LEU 20 -3.433 -16.853 -16.853 150 3HD1 LEU 20 1HD1 LEU 20 -3.951 -18.365 -18.365 151 1HD2 LEU 20 2HD2 LEU 20 -0.024 -16.895 -16.895 152 2HD2 LEU 20 1HD2 LEU 20 -0.801 -17.471 -17.471 153 3HD2 LEU 20 3HD2 LEU 20 -1.435 -16.052 -16.052 154 H HIS 21 H HIS 21 -1.254 -18.294 -18.294 155 HA HIS 21 HA HIS 21 -2.136 -18.682 -18.682 156 1HB HIS 21 2HB HIS 21 -0.832 -16.159 -16.159 157 2HB HIS 21 1HB HIS 21 -2.276 -16.017 -16.017 158 HD1 HIS 21 HD1 HIS 21 -1.823 -16.548 -16.548 159 HD2 HIS 21 HD2 HIS 21 0.611 -18.740 -18.740 160 HE1 HIS 21 HE1 HIS 21 -0.361 -17.943 -17.943 161 HE2 HIS 21 HE2 HIS 21 1.159 -19.201 -19.201 162 H SER 22 H SER 22 -4.207 -19.343 -19.343 163 HA SER 22 HA SER 22 -6.468 -19.279 -19.279 164 1HB SER 22 2HB SER 22 -6.457 -16.293 -16.293 165 2HB SER 22 1HB SER 22 -7.488 -17.491 -17.491 166 HG SER 22 HG SER 22 -5.731 -18.109 -18.109 167 H PHE 23 H PHE 23 -5.514 -16.279 -16.279 168 HA PHE 23 HA PHE 23 -7.635 -15.968 -15.968 169 1HB PHE 23 2HB PHE 23 -5.752 -14.399 -14.399 170 2HB PHE 23 1HB PHE 23 -4.723 -15.561 -15.561 171 HD1 PHE 23 HD1 PHE 23 -8.194 -14.351 -14.351 172 HD2 PHE 23 HD2 PHE 23 -4.219 -14.775 -14.775 173 HE1 PHE 23 HE1 PHE 23 -8.894 -13.416 -13.416 174 HE2 PHE 23 HE2 PHE 23 -4.910 -13.841 -13.841 175 HZ PHE 23 HZ PHE 23 -7.251 -13.159 -13.159 176 H ASP 24 H ASP 24 -8.457 -16.920 -16.920 177 HA ASP 24 HA ASP 24 -7.243 -19.427 -19.427 178 1HB ASP 24 2HB ASP 24 -9.963 -18.212 -18.212 179 2HB ASP 24 1HB ASP 24 -9.430 -19.734 -19.734 180 HA PRO 25 HA PRO 25 -5.438 -17.422 -17.422 181 1HB PRO 25 2HB PRO 25 -5.416 -20.181 -20.181 182 2HB PRO 25 1HB PRO 25 -4.084 -19.038 -19.038 183 1HG PRO 25 2HG PRO 25 -4.338 -21.153 -21.153 184 2HG PRO 25 1HG PRO 25 -3.754 -19.593 -19.593 185 1HD PRO 25 2HD PRO 25 -6.444 -20.861 -20.861 186 2HD PRO 25 1HD PRO 25 -5.514 -19.893 -19.893 187 H PHE 26 H PHE 26 -7.868 -19.986 -19.986 188 HA PHE 26 HA PHE 26 -9.043 -18.408 -18.408 189 1HB PHE 26 2HB PHE 26 -9.723 -20.542 -20.542 190 2HB PHE 26 1HB PHE 26 -7.975 -20.370 -20.370 191 HD1 PHE 26 HD2 PHE 26 -6.836 -21.489 -21.489 192 HD2 PHE 26 HD1 PHE 26 -10.738 -22.472 -22.472 193 HE1 PHE 26 HE2 PHE 26 -6.691 -23.659 -23.659 194 HE2 PHE 26 HE1 PHE 26 -10.602 -24.645 -24.645 195 HZ PHE 26 HZ PHE 26 -8.576 -25.242 -25.242 196 H ALA 27 H ALA 27 -9.662 -18.452 -18.452 197 HA ALA 27 HA ALA 27 -11.490 -18.410 -18.410 198 1HB ALA 27 2HB ALA 27 -12.687 -18.327 -18.327 199 2HB ALA 27 1HB ALA 27 -13.754 -18.602 -18.602 200 3HB ALA 27 3HB ALA 27 -12.763 -17.145 -17.145 201 H ASP 28 H ASP 28 -11.866 -20.037 -20.037 202 HA ASP 28 HA ASP 28 -13.352 -22.346 -22.346 203 1HB ASP 28 2HB ASP 28 -10.707 -22.629 -22.629 204 2HB ASP 28 1HB ASP 28 -10.774 -23.157 -23.157 205 H ALA 29 H ALA 29 -14.296 -23.406 -23.406 206 HA ALA 29 HA ALA 29 -14.552 -21.985 -21.985 207 1HB ALA 29 3HB ALA 29 -15.397 -24.750 -24.750 208 2HB ALA 29 2HB ALA 29 -15.753 -24.079 -24.079 209 3HB ALA 29 1HB ALA 29 -16.389 -23.299 -23.299 210 H SER 30 H SER 30 -13.084 -21.824 -21.824 211 HA SER 30 HA SER 30 -11.501 -24.211 -24.211 212 1HB SER 30 2HB SER 30 -10.374 -22.076 -22.076 213 2HB SER 30 1HB SER 30 -10.302 -21.538 -21.538 214 HG SER 30 HG SER 30 -8.601 -23.082 -23.082 215 H LYS 31 H LYS 31 -13.665 -24.128 -24.128 216 HA LYS 31 HA LYS 31 -12.953 -22.889 -22.889 217 1HB LYS 31 2HB LYS 31 -15.811 -23.300 -23.300 218 2HB LYS 31 1HB LYS 31 -15.168 -22.249 -22.249 219 1HG LYS 31 2HG LYS 31 -14.867 -21.841 -21.841 220 2HG LYS 31 1HG LYS 31 -15.974 -20.971 -20.971 221 1HD LYS 31 2HD LYS 31 -13.631 -20.573 -20.573 222 2HD LYS 31 1HD LYS 31 -13.070 -20.659 -20.659 223 1HE LYS 31 2HE LYS 31 -15.214 -18.828 -18.828 224 2HE LYS 31 1HE LYS 31 -13.573 -18.361 -18.361 225 1HZ LYS 31 3HZ LYS 31 -15.042 -19.720 -19.720 226 2HZ LYS 31 2HZ LYS 31 -15.688 -18.221 -18.221 227 3HZ LYS 31 1HZ LYS 31 -14.084 -18.328 -18.328 228 H GLY 32 H GLY 32 -12.109 -24.719 -24.719 229 1HA GLY 32 2HA GLY 32 -14.052 -26.878 -26.878 230 2HA GLY 32 1HA GLY 32 -12.415 -27.264 -27.264 231 H ASP 33 H ASP 33 -13.434 -24.742 -24.742 232 HA ASP 33 HA ASP 33 -12.898 -24.345 -24.345 233 1HB ASP 33 2HB ASP 33 -14.198 -26.538 -26.538 234 2HB ASP 33 1HB ASP 33 -12.632 -27.331 -27.331 235 H ASP 34 H ASP 34 -10.815 -23.828 -23.828 236 HA ASP 34 HA ASP 34 -8.566 -24.749 -24.749 237 1HB ASP 34 2HB ASP 34 -8.978 -25.962 -25.962 238 2HB ASP 34 1HB ASP 34 -7.968 -24.607 -24.607 239 H LEU 35 H LEU 35 -9.945 -22.282 -22.282 240 HA LEU 35 HA LEU 35 -7.982 -20.477 -20.477 241 1HB LEU 35 2HB LEU 35 -10.500 -20.340 -20.340 242 2HB LEU 35 1HB LEU 35 -10.670 -19.630 -19.630 243 HG LEU 35 HG LEU 35 -9.237 -17.778 -17.778 244 1HD1 LEU 35 1HD1 LEU 35 -8.672 -19.492 -19.492 245 2HD1 LEU 35 3HD1 LEU 35 -8.741 -17.749 -17.749 246 3HD1 LEU 35 2HD1 LEU 35 -7.607 -18.417 -18.417 247 1HD2 LEU 35 1HD2 LEU 35 -11.719 -18.408 -18.408 248 2HD2 LEU 35 3HD2 LEU 35 -11.136 -16.863 -16.863 249 3HD2 LEU 35 2HD2 LEU 35 -10.714 -17.373 -17.373 250 H LEU 36 H LEU 36 -6.696 -21.213 -21.213 251 HA LEU 36 HA LEU 36 -7.428 -19.654 -19.654 252 1HB LEU 36 2HB LEU 36 -5.950 -22.180 -22.180 253 2HB LEU 36 1HB LEU 36 -5.335 -21.137 -21.137 254 HG LEU 36 HG LEU 36 -6.874 -22.837 -22.837 255 1HD1 LEU 36 2HD1 LEU 36 -7.891 -20.004 -20.004 256 2HD1 LEU 36 1HD1 LEU 36 -8.365 -21.311 -21.311 257 3HD1 LEU 36 3HD1 LEU 36 -6.691 -20.759 -20.759 258 1HD2 LEU 36 1HD2 LEU 36 -8.278 -22.599 -22.599 259 2HD2 LEU 36 3HD2 LEU 36 -8.997 -23.173 -23.173 260 3HD2 LEU 36 2HD2 LEU 36 -9.212 -21.495 -21.495 261 HA PRO 37 HA PRO 37 -4.318 -16.598 -16.598 262 1HB PRO 37 2HB PRO 37 -3.497 -17.166 -17.166 263 2HB PRO 37 1HB PRO 37 -3.929 -15.629 -15.629 264 1HG PRO 37 2HG PRO 37 -5.630 -16.859 -16.859 265 2HG PRO 37 1HG PRO 37 -6.208 -16.031 -16.031 266 1HD PRO 37 2HD PRO 37 -5.868 -18.952 -18.952 267 2HD PRO 37 1HD PRO 37 -7.116 -18.108 -18.108 268 H ALA 38 H ALA 38 -2.132 -16.402 -16.402 269 HA ALA 38 HA ALA 38 -0.231 -18.367 -18.367 270 1HB ALA 38 1HB ALA 38 -1.345 -19.584 -19.584 271 2HB ALA 38 3HB ALA 38 -0.926 -18.282 -18.282 272 3HB ALA 38 2HB ALA 38 0.347 -19.247 -19.247 273 H GLY 39 H GLY 39 0.701 -16.391 -16.391 274 1HA GLY 39 2HA GLY 39 2.842 -15.301 -15.301 275 2HA GLY 39 1HA GLY 39 2.049 -14.840 -14.840 276 H THR 40 H THR 40 0.989 -14.696 -14.696 277 HA THR 40 HA THR 40 0.350 -11.860 -11.860 278 HB THR 40 HB THR 40 -0.753 -12.696 -12.696 279 HG1 THR 40 HG1 THR 40 -0.478 -14.846 -14.846 280 1HG2 THR 40 2HG2 THR 40 -1.754 -11.174 -11.174 281 2HG2 THR 40 1HG2 THR 40 -2.216 -12.618 -12.618 282 3HG2 THR 40 3HG2 THR 40 -2.861 -12.346 -12.346 283 H GLU 41 H GLU 41 2.230 -14.058 -14.058 284 HA GLU 41 HA GLU 41 3.919 -13.725 -13.725 285 1HB GLU 41 2HB GLU 41 3.758 -10.828 -10.828 286 2HB GLU 41 1HB GLU 41 5.100 -11.602 -11.602 287 1HG GLU 41 2HG GLU 41 5.954 -12.409 -12.409 288 2HG GLU 41 1HG GLU 41 4.378 -12.916 -12.916 289 H ASP 42 H ASP 42 0.907 -12.883 -12.883 290 HA ASP 42 HA ASP 42 -0.339 -12.209 -12.209 291 1HB ASP 42 2HB ASP 42 2.123 -13.375 -13.375 292 2HB ASP 42 1HB ASP 42 1.094 -12.440 -12.440 293 H TYR 43 H TYR 43 0.200 -10.057 -10.057 294 HA TYR 43 HA TYR 43 1.933 -8.169 -8.169 295 1HB TYR 43 2HB TYR 43 -0.740 -7.780 -7.780 296 2HB TYR 43 1HB TYR 43 0.382 -6.472 -6.472 297 HD1 TYR 43 HD2 TYR 43 2.679 -8.794 -8.794 298 HD2 TYR 43 HD1 TYR 43 -0.511 -6.806 -6.806 299 HE1 TYR 43 HE2 TYR 43 3.794 -9.177 -9.177 300 HE2 TYR 43 HE1 TYR 43 0.603 -7.186 -7.186 301 HH TYR 43 HH TYR 43 3.517 -7.710 -7.710 302 H ILE 44 H ILE 44 1.367 -6.192 -6.192 303 HA ILE 44 HA ILE 44 -0.531 -6.791 -6.791 304 HB ILE 44 HB ILE 44 2.015 -5.168 -5.168 305 1HG1 ILE 44 2HG1 ILE 44 2.463 -7.549 -7.549 306 2HG1 ILE 44 1HG1 ILE 44 2.727 -6.944 -6.944 307 1HG2 ILE 44 2HG2 ILE 44 -0.058 -5.744 -5.744 308 2HG2 ILE 44 1HG2 ILE 44 1.530 -5.044 -5.044 309 3HG2 ILE 44 3HG2 ILE 44 0.364 -4.169 -4.169 310 1HD1 ILE 44 2HD1 ILE 44 0.252 -7.702 -7.702 311 2HD1 ILE 44 1HD1 ILE 44 0.599 -8.737 -8.737 312 3HD1 ILE 44 3HD1 ILE 44 1.576 -8.864 -8.864 313 H HIS 45 H HIS 45 -2.325 -5.727 -5.727 314 HA HIS 45 HA HIS 45 -2.349 -3.222 -3.222 315 1HB HIS 45 2HB HIS 45 -4.221 -5.249 -5.249 316 2HB HIS 45 1HB HIS 45 -4.849 -3.709 -3.709 317 HD1 HIS 45 HD1 HIS 45 -3.802 -5.453 -5.453 318 HD2 HIS 45 HD2 HIS 45 -5.814 -2.027 -2.027 319 HE1 HIS 45 HE1 HIS 45 -4.839 -4.509 -4.509 320 HE2 HIS 45 HE2 HIS 45 -6.082 -2.454 -2.454 321 H ILE 46 H ILE 46 -2.337 -1.236 -1.236 322 HA ILE 46 HA ILE 46 -2.292 -0.807 -0.807 323 HB ILE 46 HB ILE 46 -1.723 1.145 1.145 324 1HG1 ILE 46 2HG1 ILE 46 -0.130 -0.788 -0.788 325 2HG1 ILE 46 1HG1 ILE 46 0.604 0.796 0.796 326 1HG2 ILE 46 2HG2 ILE 46 -1.416 1.385 1.385 327 2HG2 ILE 46 1HG2 ILE 46 -0.680 2.493 2.493 328 3HG2 ILE 46 3HG2 ILE 46 -2.435 2.359 2.359 329 1HD1 ILE 46 1HD1 ILE 46 0.107 0.265 0.265 330 2HD1 ILE 46 3HD1 ILE 46 0.165 -1.394 -1.394 331 3HD1 ILE 46 2HD1 ILE 46 1.556 -0.329 -0.329 332 H ARG 47 H ARG 47 -3.434 1.783 1.783 333 HA ARG 47 HA ARG 47 -5.520 2.621 2.621 334 1HB ARG 47 2HB ARG 47 -6.291 0.163 0.163 335 2HB ARG 47 1HB ARG 47 -6.797 0.683 0.683 336 1HG ARG 47 2HG ARG 47 -8.575 1.789 1.789 337 2HG ARG 47 1HG ARG 47 -7.687 2.440 2.440 338 1HD ARG 47 2HD ARG 47 -7.909 0.318 0.318 339 2HD ARG 47 1HD ARG 47 -8.741 -0.378 -0.378 340 HE ARG 47 HE ARG 47 -10.663 0.604 0.604 341 1HH1 ARG 47 2HH1 ARG 47 -7.962 2.264 2.264 342 2HH1 ARG 47 1HH1 ARG 47 -8.958 3.262 3.262 343 1HH2 ARG 47 1HH2 ARG 47 -11.974 1.916 1.916 344 2HH2 ARG 47 2HH2 ARG 47 -11.236 3.065 3.065 345 H ILE 48 H ILE 48 -6.401 4.366 4.366 346 HA ILE 48 HA ILE 48 -6.083 4.835 4.835 347 HB ILE 48 HB ILE 48 -5.788 6.685 6.685 348 1HG1 ILE 48 2HG1 ILE 48 -4.156 6.226 6.226 349 2HG1 ILE 48 1HG1 ILE 48 -3.779 5.618 5.618 350 1HG2 ILE 48 2HG2 ILE 48 -6.449 7.500 7.500 351 2HG2 ILE 48 1HG2 ILE 48 -5.763 8.589 8.589 352 3HG2 ILE 48 3HG2 ILE 48 -7.351 7.871 7.871 353 1HD1 ILE 48 2HD1 ILE 48 -4.036 8.549 8.549 354 2HD1 ILE 48 1HD1 ILE 48 -2.522 7.669 7.669 355 3HD1 ILE 48 3HD1 ILE 48 -3.270 7.760 7.760 356 H GLN 49 H GLN 49 -7.736 6.118 6.118 357 HA GLN 49 HA GLN 49 -10.261 6.358 6.358 358 1HB GLN 49 2HB GLN 49 -11.265 5.547 5.547 359 2HB GLN 49 1HB GLN 49 -10.922 4.439 4.439 360 1HG GLN 49 2HG GLN 49 -8.713 3.982 3.982 361 2HG GLN 49 1HG GLN 49 -9.197 4.981 4.981 362 1HE2 GLN 49 2HE2 GLN 49 -11.718 2.633 2.633 363 2HE2 GLN 49 1HE2 GLN 49 -11.516 4.324 4.324 364 H GLN 50 H GLN 50 -10.151 8.566 8.566 365 HA GLN 50 HA GLN 50 -9.770 9.964 9.964 366 1HB GLN 50 2HB GLN 50 -8.957 10.540 10.540 367 2HB GLN 50 1HB GLN 50 -10.369 11.575 11.575 368 1HG GLN 50 2HG GLN 50 -9.417 12.594 12.594 369 2HG GLN 50 1HG GLN 50 -8.034 11.505 11.505 370 1HE2 GLN 50 2HE2 GLN 50 -6.297 13.933 13.933 371 2HE2 GLN 50 1HE2 GLN 50 -6.405 12.861 12.861 372 H ARG 51 H ARG 51 -11.452 10.405 10.405 373 HA ARG 51 HA ARG 51 -14.125 10.525 10.525 374 1HB ARG 51 2HB ARG 51 -13.477 10.660 10.660 375 2HB ARG 51 1HB ARG 51 -14.987 10.178 10.178 376 1HG ARG 51 2HG ARG 51 -12.400 8.637 8.637 377 2HG ARG 51 1HG ARG 51 -13.818 8.260 8.260 378 1HD ARG 51 2HD ARG 51 -14.347 8.559 8.559 379 2HD ARG 51 1HD ARG 51 -13.301 7.205 7.205 380 HE ARG 51 HE ARG 51 -16.111 7.471 7.471 381 1HH1 ARG 51 2HH1 ARG 51 -13.139 5.889 5.889 382 2HH1 ARG 51 1HH1 ARG 51 -13.938 4.539 4.539 383 1HH2 ARG 51 1HH2 ARG 51 -17.164 5.697 5.697 384 2HH2 ARG 51 2HH2 ARG 51 -16.223 4.430 4.430 385 H ASN 52 H ASN 52 -15.114 12.396 12.396 386 HA ASN 52 HA ASN 52 -15.661 14.602 14.602 387 1HB ASN 52 2HB ASN 52 -14.168 14.779 14.779 388 2HB ASN 52 1HB ASN 52 -15.451 15.838 15.838 389 1HD2 ASN 52 2HD2 ASN 52 -16.306 12.526 12.526 390 2HD2 ASN 52 1HD2 ASN 52 -14.699 13.104 13.104 391 H GLY 53 H GLY 53 -13.007 13.538 13.538 392 1HA GLY 53 2HA GLY 53 -11.178 14.405 14.405 393 2HA GLY 53 1HA GLY 53 -11.945 15.978 15.978 394 H ARG 54 H ARG 54 -10.809 13.754 13.754 395 HA ARG 54 HA ARG 54 -8.462 15.253 15.253 396 1HB ARG 54 2HB ARG 54 -9.087 16.292 16.292 397 2HB ARG 54 1HB ARG 54 -10.215 16.819 16.819 398 1HG ARG 54 2HG ARG 54 -11.784 15.032 15.032 399 2HG ARG 54 1HG ARG 54 -10.688 14.827 14.827 400 1HD ARG 54 2HD ARG 54 -12.304 17.244 17.244 401 2HD ARG 54 1HD ARG 54 -12.360 16.315 16.315 402 HE ARG 54 HE ARG 54 -9.832 17.250 17.250 403 1HH1 ARG 54 2HH1 ARG 54 -12.928 18.807 18.807 404 2HH1 ARG 54 1HH1 ARG 54 -12.396 20.318 20.318 405 1HH2 ARG 54 1HH2 ARG 54 -9.132 19.237 19.237 406 2HH2 ARG 54 2HH2 ARG 54 -10.241 20.563 20.563 407 H LYS 55 H LYS 55 -10.948 13.147 13.147 408 HA LYS 55 HA LYS 55 -9.161 11.868 11.868 409 1HB LYS 55 2HB LYS 55 -11.864 11.962 11.962 410 2HB LYS 55 1HB LYS 55 -11.543 10.363 10.363 411 1HG LYS 55 2HG LYS 55 -11.976 10.112 10.112 412 2HG LYS 55 1HG LYS 55 -10.245 9.866 9.866 413 1HD LYS 55 2HD LYS 55 -10.231 12.493 12.493 414 2HD LYS 55 1HD LYS 55 -11.689 12.060 12.060 415 1HE LYS 55 2HE LYS 55 -10.189 10.170 10.170 416 2HE LYS 55 1HE LYS 55 -8.861 11.195 11.195 417 1HZ LYS 55 1HZ LYS 55 -10.110 13.025 13.025 418 2HZ LYS 55 3HZ LYS 55 -10.913 11.753 11.753 419 3HZ LYS 55 2HZ LYS 55 -9.231 11.887 11.887 420 H THR 56 H THR 56 -7.526 11.656 11.656 421 HA THR 56 HA THR 56 -7.919 9.546 9.546 422 HB THR 56 HB THR 56 -5.145 10.274 10.274 423 HG1 THR 56 HG1 THR 56 -5.763 12.278 12.278 424 1HG2 THR 56 1HG2 THR 56 -6.835 9.865 9.865 425 2HG2 THR 56 3HG2 THR 56 -5.619 11.131 11.131 426 3HG2 THR 56 2HG2 THR 56 -5.132 9.490 9.490 427 H LEU 57 H LEU 57 -7.381 7.448 7.448 428 HA LEU 57 HA LEU 57 -5.774 6.486 6.486 429 1HB LEU 57 2HB LEU 57 -8.647 6.058 6.058 430 2HB LEU 57 1HB LEU 57 -7.743 4.572 4.572 431 HG LEU 57 HG LEU 57 -7.353 6.846 6.846 432 1HD1 LEU 57 3HD1 LEU 57 -9.782 5.244 5.244 433 2HD1 LEU 57 2HD1 LEU 57 -9.151 5.271 5.271 434 3HD1 LEU 57 1HD1 LEU 57 -9.545 6.783 6.783 435 1HD2 LEU 57 1HD2 LEU 57 -6.512 4.106 4.106 436 2HD2 LEU 57 3HD2 LEU 57 -5.980 5.345 5.345 437 3HD2 LEU 57 2HD2 LEU 57 -7.387 4.352 4.352 438 H THR 58 H THR 58 -4.159 5.461 5.461 439 HA THR 58 HA THR 58 -4.629 4.098 4.098 440 HB THR 58 HB THR 58 -2.018 4.291 4.291 441 HG1 THR 58 HG1 THR 58 -3.023 6.380 6.380 442 1HG2 THR 58 3HG2 THR 58 -2.763 3.199 3.199 443 2HG2 THR 58 2HG2 THR 58 -1.696 4.582 4.582 444 3HG2 THR 58 1HG2 THR 58 -1.179 3.242 3.242 445 H THR 59 H THR 59 -5.174 2.019 2.019 446 HA THR 59 HA THR 59 -4.547 0.334 0.334 447 HB THR 59 HB THR 59 -6.172 -1.203 -1.203 448 HG1 THR 59 HG1 THR 59 -6.486 0.524 0.524 449 1HG2 THR 59 3HG2 THR 59 -6.550 0.475 0.475 450 2HG2 THR 59 2HG2 THR 59 -8.026 0.198 0.198 451 3HG2 THR 59 1HG2 THR 59 -7.091 -1.172 -1.172 452 H VAL 60 H VAL 60 -3.949 -1.929 -1.929 453 HA VAL 60 HA VAL 60 -2.387 -2.270 -2.270 454 HB VAL 60 HB VAL 60 -1.482 -3.130 -3.130 455 1HG1 VAL 60 2HG1 VAL 60 -0.802 -4.505 -4.505 456 2HG1 VAL 60 1HG1 VAL 60 0.159 -3.102 -3.102 457 3HG1 VAL 60 3HG1 VAL 60 0.488 -3.930 -3.930 458 1HG2 VAL 60 3HG2 VAL 60 -0.924 -0.715 -0.715 459 2HG2 VAL 60 2HG2 VAL 60 -1.103 -0.877 -0.877 460 3HG2 VAL 60 1HG2 VAL 60 0.386 -1.402 -1.402 461 H GLN 61 H GLN 61 -3.121 -3.953 -3.953 462 HA GLN 61 HA GLN 61 -4.213 -6.243 -6.243 463 1HB GLN 61 2HB GLN 61 -5.041 -6.232 -6.232 464 2HB GLN 61 1HB GLN 61 -6.027 -6.254 -6.254 465 1HG GLN 61 2HG GLN 61 -5.743 -3.771 -3.771 466 2HG GLN 61 1HG GLN 61 -4.973 -3.852 -3.852 467 1HE2 GLN 61 2HE2 GLN 61 -8.223 -5.248 -5.248 468 2HE2 GLN 61 1HE2 GLN 61 -6.682 -5.965 -5.965 469 H GLY 62 H GLY 62 -3.581 -8.296 -8.296 470 1HA GLY 62 2HA GLY 62 -2.558 -9.794 -9.794 471 2HA GLY 62 1HA GLY 62 -1.475 -8.473 -8.473 472 H ILE 63 H ILE 63 -1.126 -7.709 -7.709 473 HA ILE 63 HA ILE 63 1.202 -9.128 -9.128 474 HB ILE 63 HB ILE 63 -0.556 -7.458 -7.458 475 1HG1 ILE 63 2HG1 ILE 63 0.322 -6.033 -6.033 476 2HG1 ILE 63 1HG1 ILE 63 1.479 -5.881 -5.881 477 1HG2 ILE 63 3HG2 ILE 63 1.772 -9.075 -9.075 478 2HG2 ILE 63 2HG2 ILE 63 1.957 -7.382 -7.382 479 3HG2 ILE 63 1HG2 ILE 63 0.591 -8.315 -8.315 480 1HD1 ILE 63 3HD1 ILE 63 2.852 -7.634 -7.634 481 2HD1 ILE 63 2HD1 ILE 63 1.774 -7.387 -7.387 482 3HD1 ILE 63 1HD1 ILE 63 2.746 -6.048 -6.048 483 H ALA 64 H ALA 64 1.706 -10.749 -10.749 484 HA ALA 64 HA ALA 64 -0.380 -12.675 -12.675 485 1HB ALA 64 1HB ALA 64 2.094 -13.076 -13.076 486 2HB ALA 64 3HB ALA 64 2.401 -12.988 -12.988 487 3HB ALA 64 2HB ALA 64 1.298 -14.206 -14.206 488 H ASP 65 H ASP 65 -1.299 -13.263 -13.263 489 HA ASP 65 HA ASP 65 -1.308 -11.447 -11.447 490 1HB ASP 65 2HB ASP 65 -2.245 -14.319 -14.319 491 2HB ASP 65 1HB ASP 65 -2.803 -12.979 -12.979 492 H ASP 66 H ASP 66 0.793 -14.009 -14.009 493 HA ASP 66 HA ASP 66 1.598 -14.795 -14.795 494 1HB ASP 66 2HB ASP 66 2.023 -15.813 -15.813 495 2HB ASP 66 1HB ASP 66 3.560 -14.990 -14.990 496 H TYR 67 H TYR 67 2.424 -12.145 -12.145 497 HA TYR 67 HA TYR 67 4.924 -11.382 -11.382 498 1HB TYR 67 2HB TYR 67 2.487 -9.707 -9.707 499 2HB TYR 67 1HB TYR 67 4.070 -9.000 -9.000 500 HD1 TYR 67 HD1 TYR 67 4.133 -12.176 -12.176 501 HD2 TYR 67 HD2 TYR 67 3.732 -7.977 -7.977 502 HE1 TYR 67 HE1 TYR 67 4.681 -12.434 -12.434 503 HE2 TYR 67 HE2 TYR 67 4.275 -8.218 -8.218 504 HH TYR 67 HH TYR 67 5.560 -9.915 -9.915 505 H ASP 68 H ASP 68 5.520 -9.553 -9.553 506 HA ASP 68 HA ASP 68 4.519 -10.124 -10.124 507 1HB ASP 68 2HB ASP 68 6.665 -8.213 -8.213 508 2HB ASP 68 1HB ASP 68 6.295 -8.545 -8.545 509 H LYS 69 H LYS 69 2.341 -9.311 -9.311 510 HA LYS 69 HA LYS 69 1.494 -6.890 -6.890 511 1HB LYS 69 2HB LYS 69 0.088 -8.816 -8.816 512 2HB LYS 69 1HB LYS 69 0.364 -8.227 -8.227 513 1HG LYS 69 2HG LYS 69 -0.863 -6.271 -6.271 514 2HG LYS 69 1HG LYS 69 -0.809 -6.469 -6.469 515 1HD LYS 69 2HD LYS 69 -3.021 -7.018 -7.018 516 2HD LYS 69 1HD LYS 69 -2.252 -8.431 -8.431 517 1HE LYS 69 2HE LYS 69 -1.723 -9.344 -9.344 518 2HE LYS 69 1HE LYS 69 -2.120 -7.838 -7.838 519 1HZ LYS 69 3HZ LYS 69 -4.073 -9.557 -9.557 520 2HZ LYS 69 2HZ LYS 69 -3.855 -9.528 -9.528 521 3HZ LYS 69 1HZ LYS 69 -4.429 -8.154 -8.154 522 H LYS 70 H LYS 70 2.608 -7.615 -7.615 523 HA LYS 70 HA LYS 70 2.122 -5.134 -5.134 524 1HB LYS 70 2HB LYS 70 4.494 -6.896 -6.896 525 2HB LYS 70 1HB LYS 70 3.709 -5.746 -5.746 526 1HG LYS 70 2HG LYS 70 2.581 -8.343 -8.343 527 2HG LYS 70 1HG LYS 70 3.063 -7.959 -7.959 528 1HD LYS 70 2HD LYS 70 1.307 -6.187 -6.187 529 2HD LYS 70 1HD LYS 70 0.774 -6.760 -6.760 530 1HE LYS 70 2HE LYS 70 -0.565 -8.167 -8.167 531 2HE LYS 70 1HE LYS 70 0.890 -9.060 -9.060 532 1HZ LYS 70 3HZ LYS 70 -0.065 -6.778 -6.778 533 2HZ LYS 70 2HZ LYS 70 -0.676 -8.337 -8.337 534 3HZ LYS 70 1HZ LYS 70 0.973 -8.034 -8.034 535 H LYS 71 H LYS 71 5.162 -6.299 -6.299 536 HA LYS 71 HA LYS 71 6.299 -3.646 -3.646 537 1HB LYS 71 2HB LYS 71 7.349 -6.205 -6.205 538 2HB LYS 71 1HB LYS 71 7.716 -5.611 -5.611 539 1HG LYS 71 2HG LYS 71 9.578 -5.044 -5.044 540 2HG LYS 71 1HG LYS 71 8.658 -3.545 -3.545 541 1HD LYS 71 2HD LYS 71 8.944 -3.460 -3.460 542 2HD LYS 71 1HD LYS 71 7.583 -4.582 -4.582 543 1HE LYS 71 2HE LYS 71 9.474 -6.382 -6.382 544 2HE LYS 71 1HE LYS 71 10.488 -5.109 -5.109 545 1HZ LYS 71 1HZ LYS 71 8.496 -5.022 -5.022 546 2HZ LYS 71 3HZ LYS 71 8.350 -6.645 -6.645 547 3HZ LYS 71 2HZ LYS 71 9.803 -6.078 -6.078 548 H LEU 72 H LEU 72 4.136 -5.123 -5.123 549 HA LEU 72 HA LEU 72 5.123 -4.298 -4.298 550 1HB LEU 72 2HB LEU 72 3.342 -6.086 -6.086 551 2HB LEU 72 1HB LEU 72 2.222 -4.740 -4.740 552 HG LEU 72 HG LEU 72 3.840 -5.582 -5.582 553 1HD1 LEU 72 2HD1 LEU 72 1.151 -6.225 -6.225 554 2HD1 LEU 72 1HD1 LEU 72 1.228 -5.726 -5.726 555 3HD1 LEU 72 3HD1 LEU 72 2.190 -7.095 -7.095 556 1HD2 LEU 72 3HD2 LEU 72 1.986 -3.271 -3.271 557 2HD2 LEU 72 2HD2 LEU 72 3.617 -3.254 -3.254 558 3HD2 LEU 72 1HD2 LEU 72 2.280 -3.900 -3.900 559 H VAL 73 H VAL 73 2.310 -3.103 -3.103 560 HA VAL 73 HA VAL 73 2.340 -0.621 -0.621 561 HB VAL 73 HB VAL 73 0.229 -1.775 -1.775 562 1HG1 VAL 73 2HG1 VAL 73 1.025 -2.388 -2.388 563 2HG1 VAL 73 1HG1 VAL 73 0.870 -0.693 -0.693 564 3HG1 VAL 73 3HG1 VAL 73 -0.557 -1.609 -1.609 565 1HG2 VAL 73 2HG2 VAL 73 0.712 0.844 0.844 566 2HG2 VAL 73 1HG2 VAL 73 -0.892 0.181 0.181 567 3HG2 VAL 73 3HG2 VAL 73 0.051 0.876 0.876 568 H LYS 74 H LYS 74 3.191 -1.713 -1.713 569 HA LYS 74 HA LYS 74 3.435 0.710 0.710 570 1HB LYS 74 2HB LYS 74 3.695 -1.481 -1.481 571 2HB LYS 74 1HB LYS 74 5.234 -1.705 -1.705 572 1HG LYS 74 2HG LYS 74 6.263 -0.696 -0.696 573 2HG LYS 74 1HG LYS 74 5.357 0.780 0.780 574 1HD LYS 74 2HD LYS 74 3.521 -0.051 -0.051 575 2HD LYS 74 1HD LYS 74 4.485 -1.482 -1.482 576 1HE LYS 74 2HE LYS 74 5.947 -0.317 -0.317 577 2HE LYS 74 1HE LYS 74 5.690 1.199 1.199 578 1HZ LYS 74 1HZ LYS 74 3.495 0.035 0.035 579 2HZ LYS 74 3HZ LYS 74 4.725 0.886 0.886 580 3HZ LYS 74 2HZ LYS 74 3.790 1.653 1.653 581 H ALA 75 H ALA 75 5.779 -0.923 -0.923 582 HA ALA 75 HA ALA 75 7.882 0.921 0.921 583 1HB ALA 75 3HB ALA 75 7.266 -1.286 -1.286 584 2HB ALA 75 2HB ALA 75 8.359 -0.056 -0.056 585 3HB ALA 75 1HB ALA 75 8.757 -0.906 -0.906 586 H PHE 76 H PHE 76 5.071 0.893 0.893 587 HA PHE 76 HA PHE 76 5.861 2.834 2.834 588 1HB PHE 76 2HB PHE 76 3.722 1.321 1.321 589 2HB PHE 76 1HB PHE 76 3.023 2.692 2.692 590 HD1 PHE 76 HD1 PHE 76 4.337 1.494 1.494 591 HD2 PHE 76 HD2 PHE 76 2.602 4.784 4.784 592 HE1 PHE 76 HE1 PHE 76 3.897 2.605 2.605 593 HE2 PHE 76 HE2 PHE 76 2.160 5.902 5.902 594 HZ PHE 76 HZ PHE 76 2.807 4.813 4.813 595 H LYS 77 H LYS 77 4.308 3.142 3.142 596 HA LYS 77 HA LYS 77 4.049 5.981 5.981 597 1HB LYS 77 2HB LYS 77 4.033 4.198 4.198 598 2HB LYS 77 1HB LYS 77 3.423 5.844 5.844 599 1HG LYS 77 2HG LYS 77 1.433 5.010 5.010 600 2HG LYS 77 1HG LYS 77 2.097 4.450 4.450 601 1HD LYS 77 2HD LYS 77 1.311 2.471 2.471 602 2HD LYS 77 1HD LYS 77 2.953 2.449 2.449 603 1HE LYS 77 2HE LYS 77 0.960 3.815 3.815 604 2HE LYS 77 1HE LYS 77 0.712 2.080 2.080 605 1HZ LYS 77 1HZ LYS 77 3.424 2.945 2.945 606 2HZ LYS 77 3HZ LYS 77 2.289 3.105 3.105 607 3HZ LYS 77 2HZ LYS 77 2.570 1.591 1.591 608 H LYS 78 H LYS 78 6.722 4.000 4.000 609 HA LYS 78 HA LYS 78 8.162 5.988 5.988 610 1HB LYS 78 2HB LYS 78 8.176 3.517 3.517 611 2HB LYS 78 1HB LYS 78 9.165 3.265 3.265 612 1HG LYS 78 2HG LYS 78 10.821 4.861 4.861 613 2HG LYS 78 1HG LYS 78 9.849 4.957 4.957 614 1HD LYS 78 2HD LYS 78 11.070 3.239 3.239 615 2HD LYS 78 1HD LYS 78 10.148 2.242 2.242 616 1HE LYS 78 2HE LYS 78 12.562 3.706 3.706 617 2HE LYS 78 1HE LYS 78 12.767 2.224 2.224 618 1HZ LYS 78 2HZ LYS 78 10.885 2.191 2.191 619 2HZ LYS 78 1HZ LYS 78 12.539 2.178 2.178 620 3HZ LYS 78 3HZ LYS 78 11.868 0.953 0.953 621 H LYS 79 H LYS 79 7.817 4.774 4.774 622 HA LYS 79 HA LYS 79 10.389 5.863 5.863 623 1HB LYS 79 2HB LYS 79 9.327 3.583 3.583 624 2HB LYS 79 1HB LYS 79 8.424 4.593 4.593 625 1HG LYS 79 2HG LYS 79 11.129 5.377 5.377 626 2HG LYS 79 1HG LYS 79 11.089 3.613 3.613 627 1HD LYS 79 2HD LYS 79 9.495 3.656 3.656 628 2HD LYS 79 1HD LYS 79 9.433 5.418 5.418 629 1HE LYS 79 2HE LYS 79 12.079 4.108 4.108 630 2HE LYS 79 1HE LYS 79 10.972 4.146 4.146 631 1HZ LYS 79 3HZ LYS 79 11.413 6.640 6.640 632 2HZ LYS 79 2HZ LYS 79 12.662 6.088 6.088 633 3HZ LYS 79 1HZ LYS 79 11.131 6.390 6.390 634 H PHE 80 H PHE 80 6.918 6.268 6.268 635 HA PHE 80 HA PHE 80 7.529 8.778 8.778 636 1HB PHE 80 2HB PHE 80 4.881 7.363 7.363 637 2HB PHE 80 1HB PHE 80 5.567 8.528 8.528 638 HD1 PHE 80 HD1 PHE 80 5.649 5.042 5.042 639 HD2 PHE 80 HD2 PHE 80 7.075 7.849 7.849 640 HE1 PHE 80 HE1 PHE 80 6.488 3.193 3.193 641 HE2 PHE 80 HE2 PHE 80 7.918 6.005 6.005 642 HZ PHE 80 HZ PHE 80 7.625 3.674 3.674 643 H ALA 81 H ALA 81 6.162 7.484 7.484 644 HA ALA 81 HA ALA 81 5.210 8.473 8.473 645 1HB ALA 81 3HB ALA 81 6.839 10.384 10.384 646 2HB ALA 81 2HB ALA 81 5.304 11.201 11.201 647 3HB ALA 81 1HB ALA 81 5.711 10.646 10.646 648 H CYS 82 H CYS 82 3.614 7.483 7.483 649 HA CYS 82 HA CYS 82 1.330 9.340 9.340 650 1HB CYS 82 2HB CYS 82 2.288 7.272 7.272 651 2HB CYS 82 1HB CYS 82 0.555 7.566 7.566 652 HG CYS 82 HG CYS 82 1.632 9.100 9.100 653 H ASN 83 H ASN 83 -0.842 8.176 8.176 654 HA ASN 83 HA ASN 83 -0.878 6.321 6.321 655 1HB ASN 83 2HB ASN 83 -2.884 8.118 8.118 656 2HB ASN 83 1HB ASN 83 -3.466 6.721 6.721 657 1HD2 ASN 83 2HD2 ASN 83 -1.892 7.960 7.960 658 2HD2 ASN 83 1HD2 ASN 83 -1.829 6.536 6.536 659 H GLY 84 H GLY 84 -0.709 4.235 4.235 660 1HA GLY 84 2HA GLY 84 -2.130 3.245 3.245 661 2HA GLY 84 1HA GLY 84 -0.631 2.554 2.554 662 H THR 85 H THR 85 -3.465 1.527 1.527 663 HA THR 85 HA THR 85 -3.656 0.141 0.141 664 HB THR 85 HB THR 85 -6.063 0.310 0.310 665 HG1 THR 85 HG1 THR 85 -6.917 0.467 0.467 666 1HG2 THR 85 1HG2 THR 85 -4.542 2.379 2.379 667 2HG2 THR 85 3HG2 THR 85 -5.442 3.119 3.119 668 3HG2 THR 85 2HG2 THR 85 -6.304 2.444 2.444 669 H VAL 86 H VAL 86 -5.111 -1.837 -1.837 670 HA VAL 86 HA VAL 86 -4.679 -3.107 -3.107 671 HB VAL 86 HB VAL 86 -3.245 -4.053 -4.053 672 1HG1 VAL 86 1HG1 VAL 86 -5.129 -3.607 -3.607 673 2HG1 VAL 86 3HG1 VAL 86 -5.630 -5.242 -5.242 674 3HG1 VAL 86 2HG1 VAL 86 -4.010 -4.954 -4.954 675 1HG2 VAL 86 2HG2 VAL 86 -4.601 -5.384 -5.384 676 2HG2 VAL 86 1HG2 VAL 86 -3.438 -6.151 -6.151 677 3HG2 VAL 86 3HG2 VAL 86 -5.164 -6.245 -6.245 678 H ILE 87 H ILE 87 -6.515 -3.512 -3.512 679 HA ILE 87 HA ILE 87 -8.909 -4.204 -4.204 680 HB ILE 87 HB ILE 87 -10.255 -3.175 -3.175 681 1HG1 ILE 87 2HG1 ILE 87 -7.569 -2.009 -2.009 682 2HG1 ILE 87 1HG1 ILE 87 -8.512 -3.148 -3.148 683 1HG2 ILE 87 1HG2 ILE 87 -9.736 -2.086 -2.086 684 2HG2 ILE 87 3HG2 ILE 87 -8.467 -1.186 -1.186 685 3HG2 ILE 87 2HG2 ILE 87 -10.152 -0.984 -0.984 686 1HD1 ILE 87 3HD1 ILE 87 -10.311 -1.439 -1.439 687 2HD1 ILE 87 2HD1 ILE 87 -9.222 -0.305 -0.305 688 3HD1 ILE 87 1HD1 ILE 87 -8.802 -0.969 -0.969 689 H GLU 88 H GLU 88 -10.311 -5.750 -5.750 690 HA GLU 88 HA GLU 88 -9.094 -7.440 -7.440 691 1HB GLU 88 2HB GLU 88 -9.746 -8.299 -8.299 692 2HB GLU 88 1HB GLU 88 -11.391 -8.276 -8.276 693 1HG GLU 88 2HG GLU 88 -10.610 -9.726 -9.726 694 2HG GLU 88 1HG GLU 88 -9.065 -9.866 -9.866 695 H HIS 89 H HIS 89 -9.893 -5.859 -5.859 696 HA HIS 89 HA HIS 89 -12.599 -5.330 -5.330 697 1HB HIS 89 2HB HIS 89 -10.358 -4.413 -4.413 698 2HB HIS 89 1HB HIS 89 -10.772 -5.599 -5.599 699 HD1 HIS 89 HD1 HIS 89 -12.474 -4.911 -4.911 700 HD2 HIS 89 HD2 HIS 89 -12.442 -2.412 -2.412 701 HE1 HIS 89 HE1 HIS 89 -14.034 -3.023 -3.023 702 HE2 HIS 89 HE2 HIS 89 -14.040 -1.548 -1.548 703 HA PRO 90 HA PRO 90 -13.972 -9.268 -9.268 704 1HB PRO 90 2HB PRO 90 -16.427 -8.570 -8.570 705 2HB PRO 90 1HB PRO 90 -16.003 -8.608 -8.608 706 1HG PRO 90 2HG PRO 90 -16.198 -6.267 -6.267 707 2HG PRO 90 1HG PRO 90 -16.750 -6.415 -6.415 708 1HD PRO 90 2HD PRO 90 -14.400 -5.203 -5.203 709 2HD PRO 90 1HD PRO 90 -14.683 -5.922 -5.922 710 H GLU 91 H GLU 91 -13.741 -6.407 -6.407 711 HA GLU 91 HA GLU 91 -14.395 -7.694 -7.694 712 1HB GLU 91 2HB GLU 91 -14.221 -5.065 -5.065 713 2HB GLU 91 1HB GLU 91 -12.884 -5.226 -5.226 714 1HG GLU 91 2HG GLU 91 -15.596 -6.186 -6.186 715 2HG GLU 91 1HG GLU 91 -15.218 -4.464 -4.464 716 H TYR 92 H TYR 92 -11.559 -7.235 -7.235 717 HA TYR 92 HA TYR 92 -9.934 -8.390 -8.390 718 1HB TYR 92 2HB TYR 92 -8.646 -6.726 -6.726 719 2HB TYR 92 1HB TYR 92 -8.152 -6.993 -6.993 720 HD1 TYR 92 HD2 TYR 92 -10.382 -6.205 -6.205 721 HD2 TYR 92 HD1 TYR 92 -8.988 -4.471 -4.471 722 HE1 TYR 92 HE2 TYR 92 -11.398 -4.061 -4.061 723 HE2 TYR 92 HE1 TYR 92 -10.000 -2.321 -2.321 724 HH TYR 92 HH TYR 92 -11.020 -1.604 -1.604 725 H GLY 93 H GLY 93 -10.144 -7.994 -7.994 726 1HA GLY 93 2HA GLY 93 -10.175 -9.875 -9.875 727 2HA GLY 93 1HA GLY 93 -9.288 -10.793 -10.793 728 H GLU 94 H GLU 94 -9.074 -8.958 -8.958 729 HA GLU 94 HA GLU 94 -7.351 -8.268 -8.268 730 1HB GLU 94 2HB GLU 94 -6.819 -10.805 -10.805 731 2HB GLU 94 1HB GLU 94 -5.408 -10.037 -10.037 732 1HG GLU 94 2HG GLU 94 -5.936 -9.100 -9.100 733 2HG GLU 94 1HG GLU 94 -5.688 -10.843 -10.843 734 H VAL 95 H VAL 95 -7.298 -6.173 -6.173 735 HA VAL 95 HA VAL 95 -4.839 -5.713 -5.713 736 HB VAL 95 HB VAL 95 -5.931 -3.964 -3.964 737 1HG1 VAL 95 3HG1 VAL 95 -5.907 -6.365 -6.365 738 2HG1 VAL 95 2HG1 VAL 95 -7.581 -6.472 -6.472 739 3HG1 VAL 95 1HG1 VAL 95 -7.143 -5.348 -5.348 740 1HG2 VAL 95 3HG2 VAL 95 -8.460 -4.816 -4.816 741 2HG2 VAL 95 2HG2 VAL 95 -7.627 -3.273 -3.273 742 3HG2 VAL 95 1HG2 VAL 95 -8.371 -3.689 -3.689 743 H ILE 96 H ILE 96 -3.559 -4.151 -4.151 744 HA ILE 96 HA ILE 96 -4.201 -2.908 -2.908 745 HB ILE 96 HB ILE 96 -1.874 -2.771 -2.771 746 1HG1 ILE 96 2HG1 ILE 96 -2.502 -4.401 -4.401 747 2HG1 ILE 96 1HG1 ILE 96 -0.863 -4.102 -4.102 748 1HG2 ILE 96 1HG2 ILE 96 -2.271 -0.924 -0.924 749 2HG2 ILE 96 3HG2 ILE 96 -0.745 -1.167 -1.167 750 3HG2 ILE 96 2HG2 ILE 96 -2.121 -0.463 -0.463 751 1HD1 ILE 96 2HD1 ILE 96 -2.058 -2.333 -2.333 752 2HD1 ILE 96 1HD1 ILE 96 -1.425 -3.919 -3.919 753 3HD1 ILE 96 3HD1 ILE 96 -0.366 -2.724 -2.724 754 H GLN 97 H GLN 97 -4.232 -0.578 -0.578 755 HA GLN 97 HA GLN 97 -5.145 0.982 0.982 756 1HB GLN 97 2HB GLN 97 -6.868 0.030 0.030 757 2HB GLN 97 1HB GLN 97 -6.492 1.633 1.633 758 1HG GLN 97 2HG GLN 97 -6.994 2.321 2.321 759 2HG GLN 97 1HG GLN 97 -7.942 0.836 0.836 760 1HE2 GLN 97 1HE2 GLN 97 -9.513 2.743 2.743 761 2HE2 GLN 97 2HE2 GLN 97 -10.326 3.354 3.354 762 H LEU 98 H LEU 98 -3.582 2.443 2.443 763 HA LEU 98 HA LEU 98 -2.356 3.680 3.680 764 1HB LEU 98 2HB LEU 98 -1.754 4.055 4.055 765 2HB LEU 98 1HB LEU 98 -0.819 4.699 4.699 766 HG LEU 98 HG LEU 98 -1.218 1.747 1.747 767 1HD1 LEU 98 3HD1 LEU 98 -0.323 3.044 3.044 768 2HD1 LEU 98 2HD1 LEU 98 1.184 2.787 2.787 769 3HD1 LEU 98 1HD1 LEU 98 0.161 1.412 1.412 770 1HD2 LEU 98 1HD2 LEU 98 0.498 3.656 3.656 771 2HD2 LEU 98 3HD2 LEU 98 0.027 2.014 2.014 772 3HD2 LEU 98 2HD2 LEU 98 1.363 2.277 2.277 773 H GLN 99 H GLN 99 -2.195 6.013 6.013 774 HA GLN 99 HA GLN 99 -4.661 7.294 7.294 775 1HB GLN 99 2HB GLN 99 -2.811 7.682 7.682 776 2HB GLN 99 1HB GLN 99 -3.560 9.135 9.135 777 1HG GLN 99 2HG GLN 99 -5.455 6.966 6.966 778 2HG GLN 99 1HG GLN 99 -4.644 7.446 7.446 779 1HE2 GLN 99 2HE2 GLN 99 -6.966 10.185 10.185 780 2HE2 GLN 99 1HE2 GLN 99 -6.143 8.943 8.943 781 H GLY 100 H GLY 100 -4.708 9.142 9.142 782 1HA GLY 100 2HA GLY 100 -3.898 10.895 10.895 783 2HA GLY 100 1HA GLY 100 -2.282 10.546 10.546 784 H ASP 101 H ASP 101 -2.328 11.175 11.175 785 HA ASP 101 HA ASP 101 -2.778 8.907 8.907 786 1HB ASP 101 2HB ASP 101 -1.682 10.354 10.354 787 2HB ASP 101 1HB ASP 101 -3.099 11.067 11.067 788 H GLN 102 H GLN 102 -1.481 7.286 7.286 789 HA GLN 102 HA GLN 102 1.418 7.697 7.697 790 1HB GLN 102 2HB GLN 102 -0.398 5.979 5.979 791 2HB GLN 102 1HB GLN 102 1.100 5.213 5.213 792 1HG GLN 102 2HG GLN 102 1.060 6.345 6.345 793 2HG GLN 102 1HG GLN 102 2.416 6.704 6.704 794 1HE2 GLN 102 2HE2 GLN 102 -0.445 9.616 9.616 795 2HE2 GLN 102 1HE2 GLN 102 -0.878 7.962 7.962 796 H ARG 103 H ARG 103 -0.684 6.997 6.997 797 HA ARG 103 HA ARG 103 -0.251 4.465 4.465 798 1HB ARG 103 2HB ARG 103 -0.828 5.391 5.391 799 2HB ARG 103 1HB ARG 103 -1.895 6.003 6.003 800 1HG ARG 103 2HG ARG 103 -0.889 8.122 8.122 801 2HG ARG 103 1HG ARG 103 0.508 7.537 7.537 802 1HD ARG 103 2HD ARG 103 -0.566 7.645 7.645 803 2HD ARG 103 1HD ARG 103 -2.119 7.179 7.179 804 HE ARG 103 HE ARG 103 -2.630 9.394 9.394 805 1HH1 ARG 103 2HH1 ARG 103 0.801 9.089 9.089 806 2HH1 ARG 103 1HH1 ARG 103 1.054 10.794 10.794 807 1HH2 ARG 103 1HH2 ARG 103 -2.300 11.638 11.638 808 2HH2 ARG 103 2HH2 ARG 103 -0.707 12.243 12.243 809 H LYS 104 H LYS 104 1.904 7.170 7.170 810 HA LYS 104 HA LYS 104 3.787 5.809 5.809 811 1HB LYS 104 2HB LYS 104 3.273 8.153 8.153 812 2HB LYS 104 1HB LYS 104 3.820 8.637 8.637 813 1HG LYS 104 2HG LYS 104 5.871 7.117 7.117 814 2HG LYS 104 1HG LYS 104 5.332 8.427 8.427 815 1HD LYS 104 2HD LYS 104 6.126 8.790 8.790 816 2HD LYS 104 1HD LYS 104 7.213 9.044 9.044 817 1HE LYS 104 2HE LYS 104 4.669 10.444 10.444 818 2HE LYS 104 1HE LYS 104 5.584 10.943 10.943 819 1HZ LYS 104 3HZ LYS 104 7.532 11.170 11.170 820 2HZ LYS 104 2HZ LYS 104 6.407 11.063 11.063 821 3HZ LYS 104 1HZ LYS 104 6.306 12.328 12.328 822 H ASN 105 H ASN 105 3.207 6.581 6.581 823 HA ASN 105 HA ASN 105 5.982 6.230 6.230 824 1HB ASN 105 2HB ASN 105 3.446 6.951 6.951 825 2HB ASN 105 1HB ASN 105 4.806 6.342 6.342 826 1HD2 ASN 105 2HD2 ASN 105 4.701 10.142 10.142 827 2HD2 ASN 105 1HD2 ASN 105 3.376 9.043 9.043 828 H ILE 106 H ILE 106 2.965 4.429 4.429 829 HA ILE 106 HA ILE 106 3.802 2.361 2.361 830 HB ILE 106 HB ILE 106 1.441 2.771 2.771 831 1HG1 ILE 106 2HG1 ILE 106 0.780 0.426 0.426 832 2HG1 ILE 106 1HG1 ILE 106 2.381 -0.013 -0.013 833 1HG2 ILE 106 3HG2 ILE 106 1.882 3.183 3.183 834 2HG2 ILE 106 2HG2 ILE 106 2.017 1.439 1.439 835 3HG2 ILE 106 1HG2 ILE 106 0.498 2.149 2.149 836 1HD1 ILE 106 3HD1 ILE 106 2.325 1.417 1.417 837 2HD1 ILE 106 2HD1 ILE 106 1.601 -0.191 -0.191 838 3HD1 ILE 106 1HD1 ILE 106 3.276 0.023 0.023 839 H CYS 107 H CYS 107 3.762 2.536 2.536 840 HA CYS 107 HA CYS 107 4.803 0.012 0.012 841 1HB CYS 107 2HB CYS 107 5.773 1.127 1.127 842 2HB CYS 107 1HB CYS 107 4.036 1.291 1.291 843 HG CYS 107 HG CYS 107 6.095 3.580 3.580 844 H GLN 108 H GLN 108 6.324 2.949 2.949 845 HA GLN 108 HA GLN 108 9.032 2.153 2.153 846 1HB GLN 108 2HB GLN 108 7.613 4.318 4.318 847 2HB GLN 108 1HB GLN 108 9.272 3.964 3.964 848 1HG GLN 108 2HG GLN 108 8.733 4.309 4.309 849 2HG GLN 108 1HG GLN 108 8.613 5.744 5.744 850 1HE2 GLN 108 2HE2 GLN 108 12.233 3.879 3.879 851 2HE2 GLN 108 1HE2 GLN 108 10.763 3.007 3.007 852 H PHE 109 H PHE 109 6.837 2.185 2.185 853 HA PHE 109 HA PHE 109 8.573 1.177 1.177 854 1HB PHE 109 2HB PHE 109 6.348 2.201 2.201 855 2HB PHE 109 1HB PHE 109 5.587 0.748 0.748 856 HD1 PHE 109 HD2 PHE 109 8.089 1.771 1.771 857 HD2 PHE 109 HD1 PHE 109 4.940 -0.874 -0.874 858 HE1 PHE 109 HE2 PHE 109 8.165 0.767 0.767 859 HE2 PHE 109 HE1 PHE 109 5.008 -1.882 -1.882 860 HZ PHE 109 HZ PHE 109 6.621 -1.059 -1.059 861 H LEU 110 H LEU 110 6.226 -0.549 -0.549 862 HA LEU 110 HA LEU 110 6.691 -3.121 -3.121 863 1HB LEU 110 2HB LEU 110 5.681 -1.969 -1.969 864 2HB LEU 110 1HB LEU 110 6.084 -3.673 -3.673 865 HG LEU 110 HG LEU 110 4.414 -4.160 -4.160 866 1HD1 LEU 110 3HD1 LEU 110 4.442 -1.216 -1.216 867 2HD1 LEU 110 2HD1 LEU 110 3.020 -2.179 -2.179 868 3HD1 LEU 110 1HD1 LEU 110 4.576 -2.555 -2.555 869 1HD2 LEU 110 3HD2 LEU 110 3.715 -3.464 -3.464 870 2HD2 LEU 110 2HD2 LEU 110 2.471 -3.647 -3.647 871 3HD2 LEU 110 1HD2 LEU 110 3.039 -2.038 -2.038 872 H VAL 111 H VAL 111 8.558 -1.148 -1.148 873 HA VAL 111 HA VAL 111 10.277 -3.391 -3.391 874 HB VAL 111 HB VAL 111 10.388 -0.498 -0.498 875 1HG1 VAL 111 1HG1 VAL 111 12.039 -2.893 -2.893 876 2HG1 VAL 111 3HG1 VAL 111 11.755 -1.666 -1.666 877 3HG1 VAL 111 2HG1 VAL 111 12.538 -1.225 -1.225 878 1HG2 VAL 111 3HG2 VAL 111 8.435 -2.189 -2.189 879 2HG2 VAL 111 2HG2 VAL 111 9.079 -0.989 -0.989 880 3HG2 VAL 111 1HG2 VAL 111 9.630 -2.663 -2.663 881 H GLU 112 H GLU 112 10.201 -0.654 -0.654 882 HA GLU 112 HA GLU 112 13.037 -0.557 -0.557 883 1HB GLU 112 2HB GLU 112 10.695 0.709 0.709 884 2HB GLU 112 1HB GLU 112 12.362 0.949 0.949 885 1HG GLU 112 2HG GLU 112 12.140 1.455 1.455 886 2HG GLU 112 1HG GLU 112 10.907 2.371 2.371 887 H ILE 113 H ILE 113 10.239 -1.883 -1.883 888 HA ILE 113 HA ILE 113 11.954 -2.939 -2.939 889 HB ILE 113 HB ILE 113 9.991 -3.593 -3.593 890 1HG1 ILE 113 2HG1 ILE 113 8.460 -3.072 -3.072 891 2HG1 ILE 113 1HG1 ILE 113 8.795 -4.653 -4.653 892 1HG2 ILE 113 1HG2 ILE 113 10.517 -1.054 -1.054 893 2HG2 ILE 113 3HG2 ILE 113 8.939 -1.119 -1.119 894 3HG2 ILE 113 2HG2 ILE 113 9.093 -1.542 -1.542 895 1HD1 ILE 113 1HD1 ILE 113 7.450 -2.831 -2.831 896 2HD1 ILE 113 3HD1 ILE 113 6.524 -3.202 -3.202 897 3HD1 ILE 113 2HD1 ILE 113 7.089 -4.507 -4.507 898 H GLY 114 H GLY 114 10.519 -3.991 -3.991 899 1HA GLY 114 2HA GLY 114 11.156 -5.964 -5.964 900 2HA GLY 114 1HA GLY 114 11.674 -6.648 -6.648 901 H LEU 115 H LEU 115 8.590 -5.086 -5.086 902 HA LEU 115 HA LEU 115 7.198 -7.437 -7.437 903 1HB LEU 115 2HB LEU 115 6.746 -4.750 -4.750 904 2HB LEU 115 1HB LEU 115 5.610 -5.192 -5.192 905 HG LEU 115 HG LEU 115 4.474 -6.716 -6.716 906 1HD1 LEU 115 1HD1 LEU 115 6.828 -6.311 -6.311 907 2HD1 LEU 115 3HD1 LEU 115 5.273 -6.845 -6.845 908 3HD1 LEU 115 2HD1 LEU 115 6.109 -7.816 -7.816 909 1HD2 LEU 115 2HD2 LEU 115 4.438 -4.048 -4.048 910 2HD2 LEU 115 1HD2 LEU 115 3.386 -5.169 -5.169 911 3HD2 LEU 115 3HD2 LEU 115 4.858 -4.571 -4.571 912 H ALA 116 H ALA 116 6.484 -5.313 -5.313 913 HA ALA 116 HA ALA 116 5.440 -7.609 -7.609 914 1HB ALA 116 1HB ALA 116 4.287 -5.330 -5.330 915 2HB ALA 116 3HB ALA 116 5.501 -4.782 -4.782 916 3HB ALA 116 2HB ALA 116 4.399 -6.086 -6.086 917 H LYS 117 H LYS 117 5.934 -6.781 -6.781 918 HA LYS 117 HA LYS 117 8.871 -6.892 -6.892 919 1HB LYS 117 2HB LYS 117 7.048 -8.913 -8.913 920 2HB LYS 117 1HB LYS 117 7.641 -8.196 -8.196 921 1HG LYS 117 2HG LYS 117 8.982 -10.119 -10.119 922 2HG LYS 117 1HG LYS 117 9.921 -8.627 -8.627 923 1HD LYS 117 2HD LYS 117 8.849 -8.804 -8.804 924 2HD LYS 117 1HD LYS 117 9.524 -10.386 -10.386 925 1HE LYS 117 2HE LYS 117 11.588 -9.102 -9.102 926 2HE LYS 117 1HE LYS 117 10.904 -7.718 -7.718 927 1HZ LYS 117 2HZ LYS 117 11.263 -10.307 -10.307 928 2HZ LYS 117 1HZ LYS 117 12.549 -9.218 -9.218 929 3HZ LYS 117 3HZ LYS 117 11.135 -8.761 -8.761 930 H ASP 118 H ASP 118 9.786 -5.968 -5.968 931 HA ASP 118 HA ASP 118 8.615 -3.555 -3.555 932 1HB ASP 118 2HB ASP 118 10.414 -3.390 -3.390 933 2HB ASP 118 1HB ASP 118 11.040 -3.980 -3.980 934 H ASP 119 H ASP 119 8.373 -6.765 -6.765 935 HA ASP 119 HA ASP 119 7.198 -5.913 -5.913 936 1HB ASP 119 2HB ASP 119 7.270 -8.685 -8.685 937 2HB ASP 119 1HB ASP 119 6.922 -8.281 -8.281 938 H GLN 120 H GLN 120 6.134 -6.850 -6.850 939 HA GLN 120 HA GLN 120 3.383 -7.220 -7.220 940 1HB GLN 120 2HB GLN 120 4.534 -6.995 -6.995 941 2HB GLN 120 1HB GLN 120 2.953 -7.625 -7.625 942 1HG GLN 120 2HG GLN 120 4.215 -9.388 -9.388 943 2HG GLN 120 1HG GLN 120 5.645 -8.856 -8.856 944 1HE2 GLN 120 2HE2 GLN 120 3.848 -9.788 -9.788 945 2HE2 GLN 120 1HE2 GLN 120 4.308 -8.284 -8.284 946 H LEU 121 H LEU 121 5.309 -4.568 -4.568 947 HA LEU 121 HA LEU 121 3.838 -2.804 -2.804 948 1HB LEU 121 2HB LEU 121 5.586 -2.369 -2.369 949 2HB LEU 121 1HB LEU 121 4.837 -1.029 -1.029 950 HG LEU 121 HG LEU 121 6.644 -3.021 -3.021 951 1HD1 LEU 121 2HD1 LEU 121 7.287 -0.480 -0.480 952 2HD1 LEU 121 1HD1 LEU 121 8.288 -1.052 -1.052 953 3HD1 LEU 121 3HD1 LEU 121 8.083 -2.053 -2.053 954 1HD2 LEU 121 2HD2 LEU 121 5.170 -0.594 -0.594 955 2HD2 LEU 121 1HD2 LEU 121 5.655 -1.995 -1.995 956 3HD2 LEU 121 3HD2 LEU 121 6.825 -0.725 -0.725 957 H LYS 122 H LYS 122 1.634 -3.012 -3.012 958 HA LYS 122 HA LYS 122 0.591 -2.105 -2.105 959 1HB LYS 122 2HB LYS 122 -0.237 -4.255 -4.255 960 2HB LYS 122 1HB LYS 122 -1.557 -3.258 -3.258 961 1HG LYS 122 2HG LYS 122 0.476 -4.612 -4.612 962 2HG LYS 122 1HG LYS 122 -1.116 -5.271 -5.271 963 1HD LYS 122 2HD LYS 122 -2.182 -3.847 -3.847 964 2HD LYS 122 1HD LYS 122 -1.105 -2.503 -2.503 965 1HE LYS 122 2HE LYS 122 0.250 -2.938 -2.938 966 2HE LYS 122 1HE LYS 122 0.176 -4.680 -4.680 967 1HZ LYS 122 1HZ LYS 122 -2.213 -3.368 -3.368 968 2HZ LYS 122 3HZ LYS 122 -0.894 -3.538 -3.538 969 3HZ LYS 122 2HZ LYS 122 -1.588 -4.904 -4.904 970 H VAL 123 H VAL 123 0.803 0.097 0.097 971 HA VAL 123 HA VAL 123 -0.872 0.971 0.971 972 HB VAL 123 HB VAL 123 1.419 1.870 1.870 973 1HG1 VAL 123 1HG1 VAL 123 1.082 1.974 1.974 974 2HG1 VAL 123 3HG1 VAL 123 0.745 3.654 3.654 975 3HG1 VAL 123 2HG1 VAL 123 2.287 2.928 2.928 976 1HG2 VAL 123 1HG2 VAL 123 -0.884 3.780 3.780 977 2HG2 VAL 123 3HG2 VAL 123 -0.096 3.219 3.219 978 3HG2 VAL 123 2HG2 VAL 123 0.749 4.319 4.319 979 H HIS 124 H HIS 124 -2.845 1.788 1.788 980 HA HIS 124 HA HIS 124 -3.513 2.885 2.885 981 1HB HIS 124 2HB HIS 124 -5.419 1.278 1.278 982 2HB HIS 124 1HB HIS 124 -5.664 1.835 1.835 983 HD1 HIS 124 HD1 HIS 124 -5.126 0.187 0.187 984 HD2 HIS 124 HD2 HIS 124 -3.208 -0.696 -0.696 985 HE1 HIS 124 HE1 HIS 124 -3.948 -1.999 -1.999 986 HE2 HIS 124 HE2 HIS 124 -2.922 -2.582 -2.582 987 H GLY 125 H GLY 125 -2.995 4.938 4.938 988 1HA GLY 125 2HA GLY 125 -4.339 5.941 5.941 989 2HA GLY 125 1HA GLY 125 -3.642 6.920 6.920 990 H PHE 126 HN PHE 126 -6.407 6.346 6.346 991 HA PHE 126 HA PHE 126 -8.482 6.036 6.036 992 1HB PHE 126 2HB PHE 126 -9.868 7.094 7.094 993 2HB PHE 126 1HB PHE 126 -8.530 6.459 6.459 994 HD1 PHE 126 HD2 PHE 126 -6.440 8.425 8.425 995 HD2 PHE 126 HD1 PHE 126 -10.630 8.984 8.984 996 HE1 PHE 126 HE2 PHE 126 -6.031 10.669 10.669 997 HE2 PHE 126 HE1 PHE 126 -10.230 11.230 11.230 998 HZ PHE 126 HZ PHE 126 -7.928 12.075 12.075 Start of MODEL 17 1 1H MET 1 2H MET 1 -9.172 21.204 21.204 2 2H MET 1 1H MET 1 -8.997 19.575 19.575 3 3H MET 1 3H MET 1 -10.229 20.557 20.557 4 HA MET 1 HA MET 1 -8.616 21.967 21.967 5 1HB MET 1 2HB MET 1 -7.843 20.368 20.368 6 2HB MET 1 1HB MET 1 -9.489 19.990 19.990 7 1HG MET 1 2HG MET 1 -7.483 18.596 18.596 8 2HG MET 1 1HG MET 1 -7.398 18.224 18.224 9 1HE MET 1 3HE MET 1 -7.702 15.963 15.963 10 2HE MET 1 2HE MET 1 -9.021 15.966 15.966 11 3HE MET 1 1HE MET 1 -9.203 15.112 15.112 12 H ARG 2 H ARG 2 -7.391 22.317 22.317 13 HA ARG 2 HA ARG 2 -4.646 21.317 21.317 14 1HB ARG 2 2HB ARG 2 -5.689 20.395 20.395 15 2HB ARG 2 1HB ARG 2 -5.975 22.029 22.029 16 1HG ARG 2 2HG ARG 2 -3.856 22.295 22.295 17 2HG ARG 2 1HG ARG 2 -3.191 21.454 21.454 18 1HD ARG 2 2HD ARG 2 -3.647 19.321 19.321 19 2HD ARG 2 1HD ARG 2 -4.558 20.059 20.059 20 HE ARG 2 HE ARG 2 -1.701 19.806 19.806 21 1HH1 ARG 2 2HH1 ARG 2 -4.321 21.590 21.590 22 2HH1 ARG 2 1HH1 ARG 2 -3.372 22.124 22.124 23 1HH2 ARG 2 1HH2 ARG 2 -0.452 20.508 20.508 24 2HH2 ARG 2 2HH2 ARG 2 -1.176 21.509 21.509 25 H GLY 3 H GLY 3 -3.717 22.990 22.990 26 1HA GLY 3 2HA GLY 3 -4.300 25.727 25.727 27 2HA GLY 3 1HA GLY 3 -2.985 25.126 25.126 28 H SER 4 H SER 4 -1.666 26.799 26.799 29 HA SER 4 HA SER 4 -1.104 26.860 26.860 30 1HB SER 4 2HB SER 4 0.256 28.143 28.143 31 2HB SER 4 1HB SER 4 0.762 28.407 28.407 32 HG SER 4 HG SER 4 -0.838 29.920 29.920 33 H HIS 5 H HIS 5 1.031 26.143 26.143 34 HA HIS 5 HA HIS 5 2.774 24.703 24.703 35 1HB HIS 5 2HB HIS 5 0.973 23.076 23.076 36 2HB HIS 5 1HB HIS 5 1.707 23.188 23.188 37 HD1 HIS 5 HD1 HIS 5 1.721 21.049 21.049 38 HD2 HIS 5 HD2 HIS 5 4.724 22.621 22.621 39 HE1 HIS 5 HE1 HIS 5 3.697 19.525 19.525 40 HE2 HIS 5 HE2 HIS 5 5.529 20.545 20.545 41 H HIS 6 H HIS 6 4.811 25.146 25.146 42 HA HIS 6 HA HIS 6 5.882 24.969 24.969 43 1HB HIS 6 2HB HIS 6 4.512 27.289 27.289 44 2HB HIS 6 1HB HIS 6 6.086 27.801 27.801 45 HD1 HIS 6 HD1 HIS 6 7.804 26.052 26.052 46 HD2 HIS 6 HD2 HIS 6 4.628 28.499 28.499 47 HE1 HIS 6 HE1 HIS 6 8.182 26.603 26.603 48 HE2 HIS 6 HE2 HIS 6 6.201 28.012 28.012 49 H HIS 7 H HIS 7 7.670 23.971 23.971 50 HA HIS 7 HA HIS 7 9.620 25.497 25.497 51 1HB HIS 7 2HB HIS 7 7.971 23.536 23.536 52 2HB HIS 7 1HB HIS 7 9.666 23.060 23.060 53 HD1 HIS 7 HD1 HIS 7 11.325 24.940 24.940 54 HD2 HIS 7 HD2 HIS 7 7.267 25.434 25.434 55 HE1 HIS 7 HE1 HIS 7 11.187 26.555 26.555 56 HE2 HIS 7 HE2 HIS 7 8.726 26.762 26.762 57 H HIS 8 H HIS 8 9.272 24.172 24.172 58 HA HIS 8 HA HIS 8 11.200 22.000 22.000 59 1HB HIS 8 2HB HIS 8 9.521 23.242 23.242 60 2HB HIS 8 1HB HIS 8 10.796 22.085 22.085 61 HD1 HIS 8 HD1 HIS 8 10.184 20.239 20.239 62 HD2 HIS 8 HD2 HIS 8 7.438 21.546 21.546 63 HE1 HIS 8 HE1 HIS 8 8.297 18.578 18.578 64 HE2 HIS 8 HE2 HIS 8 6.609 19.437 19.437 65 H HIS 9 H HIS 9 13.261 22.593 22.593 66 HA HIS 9 HA HIS 9 14.278 24.725 24.725 67 1HB HIS 9 2HB HIS 9 16.009 25.076 25.076 68 2HB HIS 9 1HB HIS 9 14.395 25.748 25.748 69 HD1 HIS 9 HD1 HIS 9 12.757 24.304 24.304 70 HD2 HIS 9 HD2 HIS 9 16.802 23.369 23.369 71 HE1 HIS 9 HE1 HIS 9 13.040 22.989 22.989 72 HE2 HIS 9 HE2 HIS 9 15.479 22.360 22.360 73 H HIS 10 H HIS 10 15.225 21.908 21.908 74 HA HIS 10 HA HIS 10 17.506 21.456 21.456 75 1HB HIS 10 2HB HIS 10 17.333 21.264 21.264 76 2HB HIS 10 1HB HIS 10 16.999 19.594 19.594 77 HD1 HIS 10 HD1 HIS 10 19.359 19.217 19.217 78 HD2 HIS 10 HD2 HIS 10 19.518 21.159 21.159 79 HE1 HIS 10 HE1 HIS 10 21.758 19.065 19.065 80 HE2 HIS 10 HE2 HIS 10 21.812 20.171 20.171 81 H THR 11 H THR 11 14.482 19.976 19.976 82 HA THR 11 HA THR 11 14.900 17.847 17.847 83 HB THR 11 HB THR 11 12.900 17.830 17.830 84 HG1 THR 11 HG1 THR 11 14.378 16.680 16.680 85 1HG2 THR 11 3HG2 THR 11 12.949 16.203 16.203 86 2HG2 THR 11 2HG2 THR 11 14.026 15.331 15.331 87 3HG2 THR 11 1HG2 THR 11 12.381 15.720 15.720 88 H ASP 12 H ASP 12 13.804 18.049 18.049 89 HA ASP 12 HA ASP 12 11.122 19.233 19.233 90 1HB ASP 12 2HB ASP 12 13.143 19.929 19.929 91 2HB ASP 12 1HB ASP 12 11.547 20.635 20.635 92 HA PRO 13 HA PRO 13 9.809 15.809 15.809 93 1HB PRO 13 2HB PRO 13 8.412 17.796 17.796 94 2HB PRO 13 1HB PRO 13 7.769 16.371 16.371 95 1HG PRO 13 2HG PRO 13 7.283 18.816 18.816 96 2HG PRO 13 1HG PRO 13 7.597 17.464 17.464 97 1HD PRO 13 2HD PRO 13 9.393 19.708 19.708 98 2HD PRO 13 1HD PRO 13 9.237 18.896 18.896 99 H MET 14 H MET 14 11.017 18.666 18.666 100 HA MET 14 HA MET 14 11.555 17.255 17.255 101 1HB MET 14 2HB MET 14 12.431 19.986 19.986 102 2HB MET 14 1HB MET 14 12.697 19.359 19.359 103 1HG MET 14 2HG MET 14 10.814 20.570 20.570 104 2HG MET 14 1HG MET 14 10.089 19.022 19.022 105 1HE MET 14 1HE MET 14 8.887 21.814 21.814 106 2HE MET 14 3HE MET 14 7.656 20.858 20.858 107 3HE MET 14 2HE MET 14 8.200 22.384 22.384 108 H SER 15 H SER 15 13.314 18.064 18.064 109 HA SER 15 HA SER 15 15.936 17.727 17.727 110 1HB SER 15 2HB SER 15 15.267 18.622 18.622 111 2HB SER 15 1HB SER 15 14.873 16.976 16.976 112 HG SER 15 HG SER 15 17.420 17.865 17.865 113 H ALA 16 H ALA 16 13.526 15.368 15.368 114 HA ALA 16 HA ALA 16 15.290 13.244 13.244 115 1HB ALA 16 1HB ALA 16 14.566 13.590 13.590 116 2HB ALA 16 3HB ALA 16 13.637 12.215 12.215 117 3HB ALA 16 2HB ALA 16 15.394 12.215 12.215 118 H ILE 17 H ILE 17 14.144 13.146 13.146 119 HA ILE 17 HA ILE 17 11.294 12.464 12.464 120 HB ILE 17 HB ILE 17 12.881 13.126 13.126 121 1HG1 ILE 17 2HG1 ILE 17 10.957 15.006 15.006 122 2HG1 ILE 17 1HG1 ILE 17 12.638 14.945 14.945 123 1HG2 ILE 17 2HG2 ILE 17 10.754 11.802 11.802 124 2HG2 ILE 17 1HG2 ILE 17 9.902 13.207 13.207 125 3HG2 ILE 17 3HG2 ILE 17 10.789 13.333 13.333 126 1HD1 ILE 17 1HD1 ILE 17 11.750 15.473 15.473 127 2HD1 ILE 17 3HD1 ILE 17 12.163 16.720 16.720 128 3HD1 ILE 17 2HD1 ILE 17 13.391 15.575 15.575 129 H GLN 18 H GLN 18 10.867 10.361 10.361 130 HA GLN 18 HA GLN 18 12.130 8.575 8.575 131 1HB GLN 18 2HB GLN 18 12.652 6.889 6.889 132 2HB GLN 18 1HB GLN 18 13.588 8.364 8.364 133 1HG GLN 18 2HG GLN 18 11.601 8.982 8.982 134 2HG GLN 18 1HG GLN 18 11.437 7.229 7.229 135 1HE2 GLN 18 2HE2 GLN 18 14.128 9.019 9.019 136 2HE2 GLN 18 1HE2 GLN 18 12.775 9.780 9.780 137 H ASN 19 H ASN 19 9.710 9.241 9.241 138 HA ASN 19 HA ASN 19 7.843 7.465 7.465 139 1HB ASN 19 2HB ASN 19 7.369 9.606 9.606 140 2HB ASN 19 1HB ASN 19 6.104 8.658 8.658 141 1HD2 ASN 19 2HD2 ASN 19 5.787 10.978 10.978 142 2HD2 ASN 19 1HD2 ASN 19 5.071 9.877 9.877 143 H LEU 20 H LEU 20 9.752 7.548 7.548 144 HA LEU 20 HA LEU 20 8.256 6.248 6.248 145 1HB LEU 20 2HB LEU 20 11.159 6.293 6.293 146 2HB LEU 20 1HB LEU 20 10.599 5.127 5.127 147 HG LEU 20 HG LEU 20 10.240 8.119 8.119 148 1HD1 LEU 20 1HD1 LEU 20 12.569 6.898 6.898 149 2HD1 LEU 20 3HD1 LEU 20 11.882 6.559 6.559 150 3HD1 LEU 20 2HD1 LEU 20 12.054 8.226 8.226 151 1HD2 LEU 20 2HD2 LEU 20 8.964 5.913 5.913 152 2HD2 LEU 20 1HD2 LEU 20 8.625 7.640 7.640 153 3HD2 LEU 20 3HD2 LEU 20 9.860 6.928 6.928 154 H HIS 21 H HIS 21 10.169 4.779 4.779 155 HA HIS 21 HA HIS 21 9.363 2.114 2.114 156 1HB HIS 21 2HB HIS 21 11.541 2.680 2.680 157 2HB HIS 21 1HB HIS 21 10.639 3.062 3.062 158 HD1 HIS 21 HD1 HIS 21 9.904 0.085 0.085 159 HD2 HIS 21 HD2 HIS 21 11.558 0.952 0.952 160 HE1 HIS 21 HE1 HIS 21 10.211 -2.137 -2.137 161 HE2 HIS 21 HE2 HIS 21 11.126 -1.581 -1.581 162 H SER 22 H SER 22 7.689 0.957 0.957 163 HA SER 22 HA SER 22 6.412 1.310 1.310 164 1HB SER 22 2HB SER 22 5.349 2.919 2.919 165 2HB SER 22 1HB SER 22 4.168 2.100 2.100 166 HG SER 22 HG SER 22 4.531 4.054 4.054 167 H PHE 23 H PHE 23 6.797 -0.972 -0.972 168 HA PHE 23 HA PHE 23 5.474 -2.481 -2.481 169 1HB PHE 23 2HB PHE 23 6.161 -4.442 -4.442 170 2HB PHE 23 1HB PHE 23 7.495 -3.304 -3.304 171 HD1 PHE 23 HD2 PHE 23 8.238 -1.985 -1.985 172 HD2 PHE 23 HD1 PHE 23 5.199 -4.942 -4.942 173 HE1 PHE 23 HE2 PHE 23 8.525 -1.977 -1.977 174 HE2 PHE 23 HE1 PHE 23 5.479 -4.939 -4.939 175 HZ PHE 23 HZ PHE 23 7.145 -3.456 -3.456 176 H ASP 24 H ASP 24 3.465 -3.263 -3.263 177 HA ASP 24 HA ASP 24 1.476 -2.397 -2.397 178 1HB ASP 24 2HB ASP 24 1.615 -4.401 -4.401 179 2HB ASP 24 1HB ASP 24 0.219 -4.453 -4.453 180 HA PRO 25 HA PRO 25 1.471 -5.027 -5.027 181 1HB PRO 25 2HB PRO 25 -1.398 -5.569 -5.569 182 2HB PRO 25 1HB PRO 25 -0.648 -4.987 -4.987 183 1HG PRO 25 2HG PRO 25 -1.996 -3.320 -3.320 184 2HG PRO 25 1HG PRO 25 -0.507 -2.802 -2.802 185 1HD PRO 25 2HD PRO 25 -0.949 -3.545 -3.545 186 2HD PRO 25 1HD PRO 25 0.117 -2.306 -2.306 187 H PHE 26 H PHE 26 0.087 -6.190 -6.190 188 HA PHE 26 HA PHE 26 0.641 -8.958 -8.958 189 1HB PHE 26 2HB PHE 26 -0.822 -9.111 -9.111 190 2HB PHE 26 1HB PHE 26 -1.439 -9.368 -9.368 191 HD1 PHE 26 HD2 PHE 26 -2.333 -7.319 -7.319 192 HD2 PHE 26 HD1 PHE 26 -1.664 -7.403 -7.403 193 HE1 PHE 26 HE2 PHE 26 -3.860 -5.409 -5.409 194 HE2 PHE 26 HE1 PHE 26 -3.189 -5.493 -5.493 195 HZ PHE 26 HZ PHE 26 -4.291 -4.495 -4.495 196 H ALA 27 H ALA 27 2.644 -7.097 -7.097 197 HA ALA 27 HA ALA 27 3.325 -8.148 -8.148 198 1HB ALA 27 3HB ALA 27 3.326 -5.659 -5.659 199 2HB ALA 27 2HB ALA 27 4.757 -5.943 -5.943 200 3HB ALA 27 1HB ALA 27 4.789 -6.316 -6.316 201 H ASP 28 H ASP 28 3.721 -10.225 -10.225 202 HA ASP 28 HA ASP 28 6.576 -10.390 -10.390 203 1HB ASP 28 2HB ASP 28 4.434 -10.873 -10.873 204 2HB ASP 28 1HB ASP 28 5.797 -11.988 -11.988 205 H ALA 29 H ALA 29 3.500 -12.123 -12.123 206 HA ALA 29 HA ALA 29 4.329 -14.708 -14.708 207 1HB ALA 29 1HB ALA 29 1.964 -13.481 -13.481 208 2HB ALA 29 3HB ALA 29 2.308 -13.817 -13.817 209 3HB ALA 29 2HB ALA 29 2.255 -15.138 -15.138 210 H SER 30 H SER 30 5.933 -15.501 -15.501 211 HA SER 30 HA SER 30 6.697 -14.245 -14.245 212 1HB SER 30 2HB SER 30 8.014 -16.750 -16.750 213 2HB SER 30 1HB SER 30 8.725 -15.289 -15.289 214 HG SER 30 HG SER 30 8.089 -14.294 -14.294 215 H LYS 31 H LYS 31 7.636 -16.329 -16.329 216 HA LYS 31 HA LYS 31 5.249 -17.294 -17.294 217 1HB LYS 31 2HB LYS 31 7.311 -16.724 -16.724 218 2HB LYS 31 1HB LYS 31 8.111 -18.109 -18.109 219 1HG LYS 31 2HG LYS 31 6.782 -19.639 -19.639 220 2HG LYS 31 1HG LYS 31 5.590 -18.408 -18.408 221 1HD LYS 31 2HD LYS 31 7.920 -17.416 -17.416 222 2HD LYS 31 1HD LYS 31 8.075 -19.155 -19.155 223 1HE LYS 31 2HE LYS 31 5.894 -19.197 -19.197 224 2HE LYS 31 1HE LYS 31 5.708 -17.467 -17.467 225 1HZ LYS 31 1HZ LYS 31 8.028 -17.487 -17.487 226 2HZ LYS 31 3HZ LYS 31 7.327 -18.860 -18.860 227 3HZ LYS 31 2HZ LYS 31 6.543 -17.365 -17.365 228 H GLY 32 H GLY 32 8.049 -19.175 -19.175 229 1HA GLY 32 2HA GLY 32 6.248 -21.431 -21.431 230 2HA GLY 32 1HA GLY 32 8.002 -21.502 -21.502 231 H ASP 33 H ASP 33 5.479 -19.864 -19.864 232 HA ASP 33 HA ASP 33 6.608 -20.974 -20.974 233 1HB ASP 33 2HB ASP 33 7.867 -18.843 -18.843 234 2HB ASP 33 1HB ASP 33 6.340 -17.977 -17.977 235 H ASP 34 H ASP 34 4.184 -21.526 -21.526 236 HA ASP 34 HA ASP 34 2.050 -19.944 -19.944 237 1HB ASP 34 2HB ASP 34 2.322 -22.593 -22.593 238 2HB ASP 34 1HB ASP 34 0.842 -22.306 -22.306 239 H LEU 35 H LEU 35 2.981 -19.761 -19.761 240 HA LEU 35 HA LEU 35 2.242 -22.067 -22.067 241 1HB LEU 35 2HB LEU 35 4.558 -20.439 -20.439 242 2HB LEU 35 1HB LEU 35 3.711 -20.074 -20.074 243 HG LEU 35 HG LEU 35 5.406 -21.842 -21.842 244 1HD1 LEU 35 2HD1 LEU 35 3.082 -21.694 -21.694 245 2HD1 LEU 35 1HD1 LEU 35 2.788 -23.210 -23.210 246 3HD1 LEU 35 3HD1 LEU 35 4.153 -23.072 -23.072 247 1HD2 LEU 35 3HD2 LEU 35 4.462 -22.764 -22.764 248 2HD2 LEU 35 2HD2 LEU 35 5.591 -23.596 -23.596 249 3HD2 LEU 35 1HD2 LEU 35 3.866 -23.949 -23.949 250 H LEU 36 H LEU 36 0.001 -21.373 -21.373 251 HA LEU 36 HA LEU 36 -1.876 -20.438 -20.438 252 1HB LEU 36 2HB LEU 36 -0.103 -19.263 -19.263 253 2HB LEU 36 1HB LEU 36 -1.822 -19.593 -19.593 254 HG LEU 36 HG LEU 36 0.186 -21.799 -21.799 255 1HD1 LEU 36 2HD1 LEU 36 -0.511 -20.286 -20.286 256 2HD1 LEU 36 1HD1 LEU 36 -0.377 -22.039 -22.039 257 3HD1 LEU 36 3HD1 LEU 36 0.992 -21.091 -21.091 258 1HD2 LEU 36 1HD2 LEU 36 -2.706 -21.592 -21.592 259 2HD2 LEU 36 3HD2 LEU 36 -1.903 -22.666 -22.666 260 3HD2 LEU 36 2HD2 LEU 36 -1.757 -22.958 -22.958 261 HA PRO 37 HA PRO 37 -1.739 -16.518 -16.518 262 1HB PRO 37 2HB PRO 37 -4.449 -16.276 -16.276 263 2HB PRO 37 1HB PRO 37 -3.946 -16.076 -16.076 264 1HG PRO 37 2HG PRO 37 -5.239 -18.270 -18.270 265 2HG PRO 37 1HG PRO 37 -3.914 -18.361 -18.361 266 1HD PRO 37 2HD PRO 37 -3.931 -19.077 -19.077 267 2HD PRO 37 1HD PRO 37 -3.089 -19.862 -19.862 268 H ALA 38 H ALA 38 -0.173 -15.616 -15.616 269 HA ALA 38 HA ALA 38 0.571 -14.027 -14.027 270 1HB ALA 38 2HB ALA 38 -1.070 -12.605 -12.605 271 2HB ALA 38 1HB ALA 38 -2.300 -13.103 -13.103 272 3HB ALA 38 3HB ALA 38 -0.900 -12.177 -12.177 273 H GLY 39 H GLY 39 1.138 -14.248 -14.248 274 1HA GLY 39 2HA GLY 39 -0.482 -15.935 -15.935 275 2HA GLY 39 1HA GLY 39 1.139 -15.348 -15.348 276 H THR 40 H THR 40 1.282 -13.924 -13.924 277 HA THR 40 HA THR 40 -0.418 -11.683 -11.683 278 HB THR 40 HB THR 40 -1.120 -12.575 -12.575 279 HG1 THR 40 HG1 THR 40 -1.319 -14.673 -14.673 280 1HG2 THR 40 3HG2 THR 40 -2.489 -11.981 -11.981 281 2HG2 THR 40 2HG2 THR 40 -2.983 -13.641 -13.641 282 3HG2 THR 40 1HG2 THR 40 -3.209 -12.395 -12.395 283 H GLU 41 H GLU 41 1.827 -13.909 -13.909 284 HA GLU 41 HA GLU 41 3.720 -13.552 -13.552 285 1HB GLU 41 2HB GLU 41 3.378 -11.083 -11.083 286 2HB GLU 41 1HB GLU 41 4.217 -10.827 -10.827 287 1HG GLU 41 2HG GLU 41 6.015 -12.107 -12.107 288 2HG GLU 41 1HG GLU 41 5.079 -13.063 -13.063 289 H ASP 42 H ASP 42 0.811 -12.841 -12.841 290 HA ASP 42 HA ASP 42 -0.189 -12.194 -12.194 291 1HB ASP 42 2HB ASP 42 1.824 -13.897 -13.897 292 2HB ASP 42 1HB ASP 42 2.276 -12.491 -12.491 293 H TYR 43 H TYR 43 0.180 -10.011 -10.011 294 HA TYR 43 HA TYR 43 2.009 -8.132 -8.132 295 1HB TYR 43 2HB TYR 43 -0.726 -7.694 -7.694 296 2HB TYR 43 1HB TYR 43 0.473 -6.433 -6.433 297 HD1 TYR 43 HD1 TYR 43 2.719 -8.666 -8.666 298 HD2 TYR 43 HD2 TYR 43 -0.710 -6.970 -6.970 299 HE1 TYR 43 HE1 TYR 43 3.688 -9.144 -9.144 300 HE2 TYR 43 HE2 TYR 43 0.252 -7.443 -7.443 301 HH TYR 43 HH TYR 43 3.427 -8.163 -8.163 302 H ILE 44 H ILE 44 1.524 -6.188 -6.188 303 HA ILE 44 HA ILE 44 -0.265 -6.828 -6.828 304 HB ILE 44 HB ILE 44 2.220 -5.106 -5.106 305 1HG1 ILE 44 2HG1 ILE 44 2.796 -7.442 -7.442 306 2HG1 ILE 44 1HG1 ILE 44 3.072 -6.863 -6.863 307 1HG2 ILE 44 3HG2 ILE 44 0.361 -4.353 -4.353 308 2HG2 ILE 44 2HG2 ILE 44 0.563 -5.883 -5.883 309 3HG2 ILE 44 1HG2 ILE 44 1.895 -4.729 -4.729 310 1HD1 ILE 44 2HD1 ILE 44 0.698 -7.764 -7.764 311 2HD1 ILE 44 1HD1 ILE 44 0.953 -8.691 -8.691 312 3HD1 ILE 44 3HD1 ILE 44 2.047 -8.892 -8.892 313 H HIS 45 H HIS 45 -2.108 -5.906 -5.906 314 HA HIS 45 HA HIS 45 -2.273 -3.376 -3.376 315 1HB HIS 45 2HB HIS 45 -4.013 -5.517 -5.517 316 2HB HIS 45 1HB HIS 45 -4.735 -4.076 -4.076 317 HD1 HIS 45 HD1 HIS 45 -3.909 -5.676 -5.676 318 HD2 HIS 45 HD2 HIS 45 -5.568 -2.134 -2.134 319 HE1 HIS 45 HE1 HIS 45 -4.972 -4.595 -4.595 320 HE2 HIS 45 HE2 HIS 45 -6.065 -2.507 -2.507 321 H ILE 46 H ILE 46 -1.871 -1.496 -1.496 322 HA ILE 46 HA ILE 46 -2.043 -1.080 -1.080 323 HB ILE 46 HB ILE 46 -1.521 0.940 0.940 324 1HG1 ILE 46 2HG1 ILE 46 0.127 -0.935 -0.935 325 2HG1 ILE 46 1HG1 ILE 46 0.824 0.644 0.644 326 1HG2 ILE 46 2HG2 ILE 46 -1.276 1.082 1.082 327 2HG2 ILE 46 1HG2 ILE 46 -0.439 2.198 2.198 328 3HG2 ILE 46 3HG2 ILE 46 -2.202 2.130 2.130 329 1HD1 ILE 46 2HD1 ILE 46 0.139 -0.236 -0.236 330 2HD1 ILE 46 1HD1 ILE 46 0.618 -1.727 -1.727 331 3HD1 ILE 46 3HD1 ILE 46 1.739 -0.367 -0.367 332 H ARG 47 H ARG 47 -3.236 1.486 1.486 333 HA ARG 47 HA ARG 47 -5.340 2.289 2.289 334 1HB ARG 47 2HB ARG 47 -6.008 -0.243 -0.243 335 2HB ARG 47 1HB ARG 47 -6.683 0.466 0.466 336 1HG ARG 47 2HG ARG 47 -8.402 1.362 1.362 337 2HG ARG 47 1HG ARG 47 -7.375 1.949 1.949 338 1HD ARG 47 2HD ARG 47 -7.369 -0.265 -0.265 339 2HD ARG 47 1HD ARG 47 -8.341 -0.892 -0.892 340 HE ARG 47 HE ARG 47 -9.711 1.256 1.256 341 1HH1 ARG 47 2HH1 ARG 47 -8.708 -1.982 -1.982 342 2HH1 ARG 47 1HH1 ARG 47 -10.026 -2.243 -2.243 343 1HH2 ARG 47 1HH2 ARG 47 -11.445 0.913 0.913 344 2HH2 ARG 47 2HH2 ARG 47 -11.579 -0.600 -0.600 345 H ILE 48 H ILE 48 -6.252 4.029 4.029 346 HA ILE 48 HA ILE 48 -5.885 4.518 4.518 347 HB ILE 48 HB ILE 48 -5.606 6.309 6.309 348 1HG1 ILE 48 2HG1 ILE 48 -4.147 6.100 6.100 349 2HG1 ILE 48 1HG1 ILE 48 -3.616 5.414 5.414 350 1HG2 ILE 48 2HG2 ILE 48 -6.536 7.233 7.233 351 2HG2 ILE 48 1HG2 ILE 48 -5.801 8.297 8.297 352 3HG2 ILE 48 3HG2 ILE 48 -7.325 7.484 7.484 353 1HD1 ILE 48 3HD1 ILE 48 -4.007 8.354 8.354 354 2HD1 ILE 48 2HD1 ILE 48 -2.460 7.509 7.509 355 3HD1 ILE 48 1HD1 ILE 48 -3.308 7.601 7.601 356 H GLN 49 H GLN 49 -7.574 5.716 5.716 357 HA GLN 49 HA GLN 49 -10.129 5.839 5.839 358 1HB GLN 49 2HB GLN 49 -11.313 4.775 4.775 359 2HB GLN 49 1HB GLN 49 -10.097 3.692 3.692 360 1HG GLN 49 2HG GLN 49 -8.783 5.036 5.036 361 2HG GLN 49 1HG GLN 49 -10.395 4.729 4.729 362 1HE2 GLN 49 2HE2 GLN 49 -9.524 1.515 1.515 363 2HE2 GLN 49 1HE2 GLN 49 -10.327 3.001 3.001 364 H GLN 50 H GLN 50 -10.447 7.973 7.973 365 HA GLN 50 HA GLN 50 -10.106 9.415 9.415 366 1HB GLN 50 2HB GLN 50 -9.271 10.044 10.044 367 2HB GLN 50 1HB GLN 50 -10.682 11.066 11.066 368 1HG GLN 50 2HG GLN 50 -9.686 11.963 11.963 369 2HG GLN 50 1HG GLN 50 -8.285 10.921 10.921 370 1HE2 GLN 50 2HE2 GLN 50 -6.672 13.463 13.463 371 2HE2 GLN 50 1HE2 GLN 50 -6.678 12.271 12.271 372 H ARG 51 H ARG 51 -11.971 9.196 9.196 373 HA ARG 51 HA ARG 51 -14.524 8.894 8.894 374 1HB ARG 51 2HB ARG 51 -13.413 9.778 9.778 375 2HB ARG 51 1HB ARG 51 -15.124 10.064 10.064 376 1HG ARG 51 2HG ARG 51 -15.191 8.007 8.007 377 2HG ARG 51 1HG ARG 51 -15.117 7.545 7.545 378 1HD ARG 51 2HD ARG 51 -12.544 7.553 7.553 379 2HD ARG 51 1HD ARG 51 -12.984 7.428 7.428 380 HE ARG 51 HE ARG 51 -13.195 5.378 5.378 381 1HH1 ARG 51 2HH1 ARG 51 -14.417 6.518 6.518 382 2HH1 ARG 51 1HH1 ARG 51 -14.952 4.953 4.953 383 1HH2 ARG 51 1HH2 ARG 51 -13.900 3.318 3.318 384 2HH2 ARG 51 2HH2 ARG 51 -14.660 3.136 3.136 385 H ASN 52 H ASN 52 -13.761 11.872 11.872 386 HA ASN 52 HA ASN 52 -15.513 13.334 13.334 387 1HB ASN 52 2HB ASN 52 -14.178 14.314 14.314 388 2HB ASN 52 1HB ASN 52 -15.495 15.094 15.094 389 1HD2 ASN 52 2HD2 ASN 52 -16.501 12.868 12.868 390 2HD2 ASN 52 1HD2 ASN 52 -15.094 13.849 13.849 391 H GLY 53 H GLY 53 -13.169 12.591 12.591 392 1HA GLY 53 2HA GLY 53 -11.442 13.437 13.437 393 2HA GLY 53 1HA GLY 53 -12.250 14.988 14.988 394 H ARG 54 H ARG 54 -11.216 13.289 13.289 395 HA ARG 54 HA ARG 54 -8.712 14.738 14.738 396 1HB ARG 54 2HB ARG 54 -9.223 15.996 15.996 397 2HB ARG 54 1HB ARG 54 -10.565 16.262 16.262 398 1HG ARG 54 2HG ARG 54 -11.907 14.633 14.633 399 2HG ARG 54 1HG ARG 54 -10.561 14.365 14.365 400 1HD ARG 54 2HD ARG 54 -12.085 16.932 16.932 401 2HD ARG 54 1HD ARG 54 -12.140 15.887 15.887 402 HE ARG 54 HE ARG 54 -9.496 16.608 16.608 403 1HH1 ARG 54 2HH1 ARG 54 -12.527 18.247 18.247 404 2HH1 ARG 54 1HH1 ARG 54 -11.803 19.561 19.561 405 1HH2 ARG 54 1HH2 ARG 54 -8.542 18.335 18.335 406 2HH2 ARG 54 2HH2 ARG 54 -9.540 19.610 19.610 407 H LYS 55 H LYS 55 -11.057 12.704 12.704 408 HA LYS 55 HA LYS 55 -9.121 11.561 11.561 409 1HB LYS 55 2HB LYS 55 -11.816 11.648 11.648 410 2HB LYS 55 1HB LYS 55 -11.583 10.030 10.030 411 1HG LYS 55 2HG LYS 55 -11.824 9.923 9.923 412 2HG LYS 55 1HG LYS 55 -10.173 9.486 9.486 413 1HD LYS 55 2HD LYS 55 -10.274 10.979 10.979 414 2HD LYS 55 1HD LYS 55 -9.383 11.687 11.687 415 1HE LYS 55 2HE LYS 55 -11.086 13.194 13.194 416 2HE LYS 55 1HE LYS 55 -12.303 12.247 12.247 417 1HZ LYS 55 1HZ LYS 55 -10.074 13.365 13.365 418 2HZ LYS 55 3HZ LYS 55 -11.307 14.411 14.411 419 3HZ LYS 55 2HZ LYS 55 -11.672 13.075 13.075 420 H THR 56 H THR 56 -7.632 11.225 11.225 421 HA THR 56 HA THR 56 -8.151 9.023 9.023 422 HB THR 56 HB THR 56 -5.340 9.753 9.753 423 HG1 THR 56 HG1 THR 56 -5.860 11.787 11.787 424 1HG2 THR 56 1HG2 THR 56 -7.123 9.119 9.119 425 2HG2 THR 56 3HG2 THR 56 -6.077 10.495 10.495 426 3HG2 THR 56 2HG2 THR 56 -5.369 8.949 8.949 427 H LEU 57 H LEU 57 -7.493 6.929 6.929 428 HA LEU 57 HA LEU 57 -5.849 6.091 6.091 429 1HB LEU 57 2HB LEU 57 -8.702 5.618 5.618 430 2HB LEU 57 1HB LEU 57 -7.804 4.117 4.117 431 HG LEU 57 HG LEU 57 -6.707 5.121 5.121 432 1HD1 LEU 57 2HD1 LEU 57 -8.669 7.216 7.216 433 2HD1 LEU 57 1HD1 LEU 57 -8.549 6.775 6.775 434 3HD1 LEU 57 3HD1 LEU 57 -7.121 7.335 7.335 435 1HD2 LEU 57 2HD2 LEU 57 -9.410 4.036 4.036 436 2HD2 LEU 57 1HD2 LEU 57 -8.097 3.510 3.510 437 3HD2 LEU 57 3HD2 LEU 57 -9.133 4.852 4.852 438 H THR 58 H THR 58 -4.185 5.400 5.400 439 HA THR 58 HA THR 58 -4.578 3.917 3.917 440 HB THR 58 HB THR 58 -1.978 3.757 3.757 441 HG1 THR 58 HG1 THR 58 -3.179 6.165 6.165 442 1HG2 THR 58 2HG2 THR 58 -2.740 3.299 3.299 443 2HG2 THR 58 1HG2 THR 58 -2.100 4.939 4.939 444 3HG2 THR 58 3HG2 THR 58 -1.092 3.633 3.633 445 H THR 59 H THR 59 -5.163 1.854 1.854 446 HA THR 59 HA THR 59 -4.678 0.091 0.091 447 HB THR 59 HB THR 59 -6.156 -1.421 -1.421 448 HG1 THR 59 HG1 THR 59 -7.046 -0.205 -0.205 449 1HG2 THR 59 2HG2 THR 59 -7.176 0.586 0.586 450 2HG2 THR 59 1HG2 THR 59 -8.169 -0.658 -0.658 451 3HG2 THR 59 3HG2 THR 59 -6.817 -1.118 -1.118 452 H VAL 60 H VAL 60 -3.774 -2.008 -2.008 453 HA VAL 60 HA VAL 60 -2.149 -2.268 -2.268 454 HB VAL 60 HB VAL 60 -1.365 -3.100 -3.100 455 1HG1 VAL 60 1HG1 VAL 60 -0.568 -4.590 -4.590 456 2HG1 VAL 60 3HG1 VAL 60 0.307 -3.198 -3.198 457 3HG1 VAL 60 2HG1 VAL 60 0.710 -3.839 -3.839 458 1HG2 VAL 60 1HG2 VAL 60 -0.648 -0.786 -0.786 459 2HG2 VAL 60 3HG2 VAL 60 -1.070 -0.802 -0.802 460 3HG2 VAL 60 2HG2 VAL 60 0.506 -1.394 -1.394 461 H GLN 61 H GLN 61 -2.734 -3.925 -3.925 462 HA GLN 61 HA GLN 61 -3.888 -6.292 -6.292 463 1HB GLN 61 2HB GLN 61 -5.165 -4.728 -4.728 464 2HB GLN 61 1HB GLN 61 -4.372 -5.836 -5.836 465 1HG GLN 61 2HG GLN 61 -5.414 -7.546 -7.546 466 2HG GLN 61 1HG GLN 61 -6.626 -6.266 -6.266 467 1HE2 GLN 61 2HE2 GLN 61 -6.937 -6.797 -6.797 468 2HE2 GLN 61 1HE2 GLN 61 -6.344 -5.516 -5.516 469 H GLY 62 H GLY 62 -3.359 -8.355 -8.355 470 1HA GLY 62 2HA GLY 62 -2.126 -9.773 -9.773 471 2HA GLY 62 1HA GLY 62 -1.040 -8.425 -8.425 472 H ILE 63 H ILE 63 -0.860 -7.727 -7.727 473 HA ILE 63 HA ILE 63 1.432 -9.183 -9.183 474 HB ILE 63 HB ILE 63 -0.358 -7.402 -7.402 475 1HG1 ILE 63 2HG1 ILE 63 0.710 -5.996 -5.996 476 2HG1 ILE 63 1HG1 ILE 63 1.892 -6.024 -6.024 477 1HG2 ILE 63 3HG2 ILE 63 1.888 -9.076 -9.076 478 2HG2 ILE 63 2HG2 ILE 63 1.985 -7.390 -7.390 479 3HG2 ILE 63 1HG2 ILE 63 0.580 -8.364 -8.364 480 1HD1 ILE 63 2HD1 ILE 63 3.128 -7.772 -7.772 481 2HD1 ILE 63 1HD1 ILE 63 1.984 -7.573 -7.573 482 3HD1 ILE 63 3HD1 ILE 63 3.021 -6.229 -6.229 483 H ALA 64 H ALA 64 1.833 -10.727 -10.727 484 HA ALA 64 HA ALA 64 -0.365 -12.576 -12.576 485 1HB ALA 64 1HB ALA 64 2.538 -12.740 -12.740 486 2HB ALA 64 3HB ALA 64 1.836 -13.691 -13.691 487 3HB ALA 64 2HB ALA 64 1.321 -13.965 -13.965 488 H ASP 65 H ASP 65 -1.375 -12.972 -12.972 489 HA ASP 65 HA ASP 65 -1.250 -11.181 -11.181 490 1HB ASP 65 2HB ASP 65 -3.119 -12.843 -12.843 491 2HB ASP 65 1HB ASP 65 -2.219 -14.015 -14.015 492 H ASP 66 H ASP 66 0.678 -13.936 -13.936 493 HA ASP 66 HA ASP 66 1.553 -14.685 -14.685 494 1HB ASP 66 2HB ASP 66 2.912 -14.819 -14.819 495 2HB ASP 66 1HB ASP 66 3.606 -15.517 -15.517 496 H TYR 67 H TYR 67 2.362 -11.977 -11.977 497 HA TYR 67 HA TYR 67 4.834 -11.205 -11.205 498 1HB TYR 67 2HB TYR 67 2.461 -9.528 -9.528 499 2HB TYR 67 1HB TYR 67 4.054 -8.858 -8.858 500 HD1 TYR 67 HD2 TYR 67 4.123 -12.111 -12.111 501 HD2 TYR 67 HD1 TYR 67 3.797 -7.939 -7.939 502 HE1 TYR 67 HE2 TYR 67 4.759 -12.488 -12.488 503 HE2 TYR 67 HE1 TYR 67 4.426 -8.300 -8.300 504 HH TYR 67 HH TYR 67 4.204 -10.571 -10.571 505 H ASP 68 H ASP 68 4.900 -8.914 -8.914 506 HA ASP 68 HA ASP 68 3.801 -9.531 -9.531 507 1HB ASP 68 2HB ASP 68 5.982 -7.651 -7.651 508 2HB ASP 68 1HB ASP 68 5.380 -7.687 -7.687 509 H LYS 69 H LYS 69 1.647 -8.905 -8.905 510 HA LYS 69 HA LYS 69 0.656 -6.674 -6.674 511 1HB LYS 69 2HB LYS 69 -0.285 -8.080 -8.080 512 2HB LYS 69 1HB LYS 69 -1.208 -6.790 -6.790 513 1HG LYS 69 2HG LYS 69 -1.573 -8.056 -8.056 514 2HG LYS 69 1HG LYS 69 -0.343 -9.240 -9.240 515 1HD LYS 69 2HD LYS 69 -2.016 -10.467 -10.467 516 2HD LYS 69 1HD LYS 69 -2.094 -9.289 -9.289 517 1HE LYS 69 2HE LYS 69 -3.830 -8.084 -8.084 518 2HE LYS 69 1HE LYS 69 -3.590 -8.932 -8.932 519 1HZ LYS 69 3HZ LYS 69 -4.397 -10.384 -10.384 520 2HZ LYS 69 2HZ LYS 69 -5.545 -9.624 -9.624 521 3HZ LYS 69 1HZ LYS 69 -4.571 -10.853 -10.853 522 H LYS 70 H LYS 70 1.457 -6.821 -6.821 523 HA LYS 70 HA LYS 70 0.987 -4.095 -4.095 524 1HB LYS 70 2HB LYS 70 2.510 -6.241 -6.241 525 2HB LYS 70 1HB LYS 70 2.612 -4.575 -4.575 526 1HG LYS 70 2HG LYS 70 -0.120 -5.496 -5.496 527 2HG LYS 70 1HG LYS 70 0.737 -6.393 -6.393 528 1HD LYS 70 2HD LYS 70 1.083 -3.484 -3.484 529 2HD LYS 70 1HD LYS 70 -0.576 -4.032 -4.032 530 1HE LYS 70 2HE LYS 70 1.039 -5.776 -5.776 531 2HE LYS 70 1HE LYS 70 1.674 -4.159 -4.159 532 1HZ LYS 70 1HZ LYS 70 -1.214 -4.402 -4.402 533 2HZ LYS 70 3HZ LYS 70 -0.381 -5.218 -5.218 534 3HZ LYS 70 2HZ LYS 70 -0.163 -3.554 -3.554 535 H LYS 71 H LYS 71 4.013 -5.844 -5.844 536 HA LYS 71 HA LYS 71 5.722 -3.632 -3.632 537 1HB LYS 71 2HB LYS 71 6.245 -6.177 -6.177 538 2HB LYS 71 1HB LYS 71 6.273 -5.876 -5.876 539 1HG LYS 71 2HG LYS 71 8.246 -4.814 -4.814 540 2HG LYS 71 1HG LYS 71 7.852 -3.991 -3.991 541 1HD LYS 71 2HD LYS 71 9.237 -5.398 -5.398 542 2HD LYS 71 1HD LYS 71 8.085 -6.688 -6.688 543 1HE LYS 71 2HE LYS 71 9.236 -6.919 -6.919 544 2HE LYS 71 1HE LYS 71 10.497 -5.869 -5.869 545 1HZ LYS 71 2HZ LYS 71 10.319 -7.680 -7.680 546 2HZ LYS 71 1HZ LYS 71 9.900 -8.643 -8.643 547 3HZ LYS 71 3HZ LYS 71 11.379 -7.823 -7.823 548 H LEU 72 H LEU 72 3.888 -4.893 -4.893 549 HA LEU 72 HA LEU 72 5.062 -3.377 -3.377 550 1HB LEU 72 2HB LEU 72 2.351 -4.585 -4.585 551 2HB LEU 72 1HB LEU 72 2.626 -3.520 -3.520 552 HG LEU 72 HG LEU 72 3.698 -5.110 -5.110 553 1HD1 LEU 72 2HD1 LEU 72 5.143 -5.758 -5.758 554 2HD1 LEU 72 1HD1 LEU 72 5.402 -6.643 -6.643 555 3HD1 LEU 72 3HD1 LEU 72 5.762 -4.917 -4.917 556 1HD2 LEU 72 1HD2 LEU 72 1.798 -6.302 -6.302 557 2HD2 LEU 72 3HD2 LEU 72 2.722 -7.119 -7.119 558 3HD2 LEU 72 2HD2 LEU 72 3.208 -7.271 -7.271 559 H VAL 73 H VAL 73 2.153 -2.615 -2.615 560 HA VAL 73 HA VAL 73 1.989 0.052 0.052 561 HB VAL 73 HB VAL 73 0.531 -1.520 -1.520 562 1HG1 VAL 73 2HG1 VAL 73 0.648 1.469 1.469 563 2HG1 VAL 73 1HG1 VAL 73 -0.816 0.642 0.642 564 3HG1 VAL 73 3HG1 VAL 73 0.698 0.402 0.402 565 1HG2 VAL 73 2HG2 VAL 73 -0.267 0.085 0.085 566 2HG2 VAL 73 1HG2 VAL 73 -0.289 -1.669 -1.669 567 3HG2 VAL 73 3HG2 VAL 73 -1.420 -0.670 -0.670 568 H LYS 74 H LYS 74 3.091 -1.412 -1.412 569 HA LYS 74 HA LYS 74 3.699 0.920 0.920 570 1HB LYS 74 2HB LYS 74 4.923 -1.833 -1.833 571 2HB LYS 74 1HB LYS 74 5.471 -0.549 -0.549 572 1HG LYS 74 2HG LYS 74 2.570 -1.226 -1.226 573 2HG LYS 74 1HG LYS 74 3.677 -2.252 -2.252 574 1HD LYS 74 2HD LYS 74 4.468 0.103 0.103 575 2HD LYS 74 1HD LYS 74 2.819 0.549 0.549 576 1HE LYS 74 2HE LYS 74 1.879 -0.987 -0.987 577 2HE LYS 74 1HE LYS 74 3.370 -1.918 -1.918 578 1HZ LYS 74 1HZ LYS 74 3.389 0.865 0.865 579 2HZ LYS 74 3HZ LYS 74 2.626 -0.289 -0.289 580 3HZ LYS 74 2HZ LYS 74 4.261 -0.464 -0.464 581 H ALA 75 H ALA 75 5.666 -0.969 -0.969 582 HA ALA 75 HA ALA 75 7.985 0.646 0.646 583 1HB ALA 75 3HB ALA 75 7.049 -1.266 -1.266 584 2HB ALA 75 2HB ALA 75 8.614 -0.455 -0.455 585 3HB ALA 75 1HB ALA 75 8.226 -1.567 -1.567 586 H PHE 76 H PHE 76 5.276 0.560 0.560 587 HA PHE 76 HA PHE 76 6.101 2.490 2.490 588 1HB PHE 76 2HB PHE 76 3.918 1.106 1.106 589 2HB PHE 76 1HB PHE 76 3.252 2.437 2.437 590 HD1 PHE 76 HD1 PHE 76 4.781 1.544 1.544 591 HD2 PHE 76 HD2 PHE 76 2.618 4.474 4.474 592 HE1 PHE 76 HE1 PHE 76 4.384 2.806 2.806 593 HE2 PHE 76 HE2 PHE 76 2.218 5.737 5.737 594 HZ PHE 76 HZ PHE 76 3.103 4.903 4.903 595 H LYS 77 H LYS 77 4.147 3.061 3.061 596 HA LYS 77 HA LYS 77 4.136 5.853 5.853 597 1HB LYS 77 2HB LYS 77 4.030 4.126 4.126 598 2HB LYS 77 1HB LYS 77 3.505 5.801 5.801 599 1HG LYS 77 2HG LYS 77 1.878 4.979 4.979 600 2HG LYS 77 1HG LYS 77 2.251 3.359 3.359 601 1HD LYS 77 2HD LYS 77 1.687 5.159 5.159 602 2HD LYS 77 1HD LYS 77 0.356 5.129 5.129 603 1HE LYS 77 2HE LYS 77 -0.012 2.852 2.852 604 2HE LYS 77 1HE LYS 77 1.600 2.579 2.579 605 1HZ LYS 77 2HZ LYS 77 0.764 4.094 4.094 606 2HZ LYS 77 1HZ LYS 77 -0.778 3.700 3.700 607 3HZ LYS 77 3HZ LYS 77 0.265 2.480 2.480 608 H LYS 78 H LYS 78 6.677 3.705 3.705 609 HA LYS 78 HA LYS 78 8.130 5.732 5.732 610 1HB LYS 78 2HB LYS 78 8.062 3.201 3.201 611 2HB LYS 78 1HB LYS 78 9.217 3.046 3.046 612 1HG LYS 78 2HG LYS 78 9.911 5.114 5.114 613 2HG LYS 78 1HG LYS 78 9.852 3.482 3.482 614 1HD LYS 78 2HD LYS 78 11.252 3.859 3.859 615 2HD LYS 78 1HD LYS 78 12.042 4.474 4.474 616 1HE LYS 78 2HE LYS 78 10.924 1.741 1.741 617 2HE LYS 78 1HE LYS 78 12.331 1.958 1.958 618 1HZ LYS 78 3HZ LYS 78 12.441 3.132 3.132 619 2HZ LYS 78 2HZ LYS 78 12.555 1.448 1.448 620 3HZ LYS 78 1HZ LYS 78 13.671 2.424 2.424 621 H LYS 79 H LYS 79 7.904 4.558 4.558 622 HA LYS 79 HA LYS 79 10.543 5.570 5.570 623 1HB LYS 79 2HB LYS 79 9.365 3.367 3.367 624 2HB LYS 79 1HB LYS 79 8.638 4.466 4.466 625 1HG LYS 79 2HG LYS 79 11.436 4.987 4.987 626 2HG LYS 79 1HG LYS 79 11.185 3.253 3.253 627 1HD LYS 79 2HD LYS 79 10.010 3.542 3.542 628 2HD LYS 79 1HD LYS 79 9.709 5.251 5.251 629 1HE LYS 79 2HE LYS 79 12.428 4.059 4.059 630 2HE LYS 79 1HE LYS 79 11.429 4.847 4.847 631 1HZ LYS 79 2HZ LYS 79 11.479 6.712 6.712 632 2HZ LYS 79 1HZ LYS 79 13.000 6.011 6.011 633 3HZ LYS 79 3HZ LYS 79 12.585 6.648 6.648 634 H PHE 80 H PHE 80 7.126 6.283 6.283 635 HA PHE 80 HA PHE 80 7.972 8.749 8.749 636 1HB PHE 80 2HB PHE 80 5.259 7.521 7.521 637 2HB PHE 80 1HB PHE 80 6.113 8.649 8.649 638 HD1 PHE 80 HD2 PHE 80 5.801 5.153 5.153 639 HD2 PHE 80 HD1 PHE 80 7.741 7.883 7.883 640 HE1 PHE 80 HE2 PHE 80 6.600 3.268 3.268 641 HE2 PHE 80 HE1 PHE 80 8.544 6.003 6.003 642 HZ PHE 80 HZ PHE 80 7.974 3.693 3.693 643 H ALA 81 H ALA 81 6.368 7.501 7.501 644 HA ALA 81 HA ALA 81 5.427 8.583 8.583 645 1HB ALA 81 2HB ALA 81 7.003 10.500 10.500 646 2HB ALA 81 1HB ALA 81 5.466 11.239 11.239 647 3HB ALA 81 3HB ALA 81 5.785 10.816 10.816 648 H CYS 82 H CYS 82 4.006 7.579 7.579 649 HA CYS 82 HA CYS 82 1.668 9.295 9.295 650 1HB CYS 82 2HB CYS 82 2.317 6.649 6.649 651 2HB CYS 82 1HB CYS 82 0.880 7.609 7.609 652 HG CYS 82 HG CYS 82 3.686 8.775 8.775 653 H ASN 83 H ASN 83 -0.402 7.560 7.560 654 HA ASN 83 HA ASN 83 -0.523 6.312 6.312 655 1HB ASN 83 2HB ASN 83 -2.282 8.208 8.208 656 2HB ASN 83 1HB ASN 83 -3.151 6.759 6.759 657 1HD2 ASN 83 2HD2 ASN 83 -1.129 8.597 8.597 658 2HD2 ASN 83 1HD2 ASN 83 -0.344 8.217 8.217 659 H GLY 84 H GLY 84 -0.473 4.184 4.184 660 1HA GLY 84 2HA GLY 84 -1.649 2.882 2.882 661 2HA GLY 84 1HA GLY 84 -0.430 2.172 2.172 662 H THR 85 H THR 85 -3.242 1.394 1.394 663 HA THR 85 HA THR 85 -4.056 0.384 0.384 664 HB THR 85 HB THR 85 -6.378 1.122 1.122 665 HG1 THR 85 HG1 THR 85 -5.423 2.578 2.578 666 1HG2 THR 85 3HG2 THR 85 -4.460 3.424 3.424 667 2HG2 THR 85 2HG2 THR 85 -6.118 3.504 3.504 668 3HG2 THR 85 1HG2 THR 85 -4.904 2.570 2.570 669 H VAL 86 H VAL 86 -4.476 -1.689 -1.689 670 HA VAL 86 HA VAL 86 -4.775 -2.873 -2.873 671 HB VAL 86 HB VAL 86 -3.470 -4.001 -4.001 672 1HG1 VAL 86 3HG1 VAL 86 -6.125 -4.271 -4.271 673 2HG1 VAL 86 2HG1 VAL 86 -4.650 -5.122 -5.122 674 3HG1 VAL 86 1HG1 VAL 86 -4.720 -3.363 -3.363 675 1HG2 VAL 86 2HG2 VAL 86 -4.881 -5.190 -5.190 676 2HG2 VAL 86 1HG2 VAL 86 -4.074 -6.136 -6.136 677 3HG2 VAL 86 3HG2 VAL 86 -5.800 -5.801 -5.801 678 H ILE 87 H ILE 87 -6.549 -3.954 -3.954 679 HA ILE 87 HA ILE 87 -9.021 -4.116 -4.116 680 HB ILE 87 HB ILE 87 -10.359 -2.800 -2.800 681 1HG1 ILE 87 2HG1 ILE 87 -8.419 -1.246 -1.246 682 2HG1 ILE 87 1HG1 ILE 87 -7.992 -2.933 -2.933 683 1HG2 ILE 87 2HG2 ILE 87 -9.377 -1.720 -1.720 684 2HG2 ILE 87 1HG2 ILE 87 -8.040 -1.155 -1.155 685 3HG2 ILE 87 3HG2 ILE 87 -9.680 -0.593 -0.593 686 1HD1 ILE 87 2HD1 ILE 87 -10.395 -3.292 -3.292 687 2HD1 ILE 87 1HD1 ILE 87 -10.546 -1.534 -1.534 688 3HD1 ILE 87 3HD1 ILE 87 -9.395 -2.335 -2.335 689 H GLU 88 H GLU 88 -10.698 -5.268 -5.268 690 HA GLU 88 HA GLU 88 -9.562 -7.034 -7.034 691 1HB GLU 88 2HB GLU 88 -10.649 -7.815 -7.815 692 2HB GLU 88 1HB GLU 88 -12.125 -7.702 -7.702 693 1HG GLU 88 2HG GLU 88 -11.400 -9.329 -9.329 694 2HG GLU 88 1HG GLU 88 -9.734 -9.232 -9.232 695 H HIS 89 H HIS 89 -9.967 -5.336 -5.336 696 HA HIS 89 HA HIS 89 -12.431 -4.223 -4.223 697 1HB HIS 89 2HB HIS 89 -9.969 -3.931 -3.931 698 2HB HIS 89 1HB HIS 89 -10.658 -4.936 -4.936 699 HD1 HIS 89 HD1 HIS 89 -11.922 -3.734 -3.734 700 HD2 HIS 89 HD2 HIS 89 -11.573 -1.489 -1.489 701 HE1 HIS 89 HE1 HIS 89 -12.937 -1.498 -1.498 702 HE2 HIS 89 HE2 HIS 89 -12.620 -0.121 -0.121 703 HA PRO 90 HA PRO 90 -14.647 -7.766 -7.766 704 1HB PRO 90 2HB PRO 90 -16.896 -6.515 -6.515 705 2HB PRO 90 1HB PRO 90 -16.488 -6.732 -6.732 706 1HG PRO 90 2HG PRO 90 -16.163 -4.314 -4.314 707 2HG PRO 90 1HG PRO 90 -16.743 -4.422 -4.422 708 1HD PRO 90 2HD PRO 90 -14.189 -3.705 -3.705 709 2HD PRO 90 1HD PRO 90 -14.620 -4.465 -4.465 710 H GLU 91 H GLU 91 -13.618 -5.054 -5.054 711 HA GLU 91 HA GLU 91 -14.624 -6.029 -6.029 712 1HB GLU 91 2HB GLU 91 -13.661 -3.561 -3.561 713 2HB GLU 91 1HB GLU 91 -12.606 -4.031 -4.031 714 1HG GLU 91 2HG GLU 91 -14.454 -2.622 -2.622 715 2HG GLU 91 1HG GLU 91 -14.502 -4.221 -4.221 716 H TYR 92 H TYR 92 -11.779 -6.328 -6.328 717 HA TYR 92 HA TYR 92 -10.489 -7.833 -7.833 718 1HB TYR 92 2HB TYR 92 -8.834 -6.414 -6.414 719 2HB TYR 92 1HB TYR 92 -8.418 -6.879 -6.879 720 HD1 TYR 92 HD2 TYR 92 -10.291 -5.710 -5.710 721 HD2 TYR 92 HD1 TYR 92 -8.798 -4.126 -4.126 722 HE1 TYR 92 HE2 TYR 92 -10.818 -3.442 -3.442 723 HE2 TYR 92 HE1 TYR 92 -9.325 -1.850 -1.850 724 HH TYR 92 HH TYR 92 -9.975 -1.078 -1.078 725 H GLY 93 H GLY 93 -10.359 -7.277 -7.277 726 1HA GLY 93 2HA GLY 93 -10.801 -9.049 -9.049 727 2HA GLY 93 1HA GLY 93 -10.250 -10.198 -10.198 728 H GLU 94 H GLU 94 -9.418 -8.423 -8.423 729 HA GLU 94 HA GLU 94 -7.533 -8.294 -8.294 730 1HB GLU 94 2HB GLU 94 -7.522 -10.787 -10.787 731 2HB GLU 94 1HB GLU 94 -6.212 -10.312 -10.312 732 1HG GLU 94 2HG GLU 94 -4.869 -10.746 -10.746 733 2HG GLU 94 1HG GLU 94 -5.444 -9.221 -9.221 734 H VAL 95 H VAL 95 -7.056 -6.179 -6.179 735 HA VAL 95 HA VAL 95 -4.602 -5.962 -5.962 736 HB VAL 95 HB VAL 95 -5.490 -3.981 -3.981 737 1HG1 VAL 95 3HG1 VAL 95 -5.508 -6.530 -6.530 738 2HG1 VAL 95 2HG1 VAL 95 -7.246 -6.236 -6.236 739 3HG1 VAL 95 1HG1 VAL 95 -6.154 -5.249 -5.249 740 1HG2 VAL 95 3HG2 VAL 95 -7.491 -3.883 -3.883 741 2HG2 VAL 95 2HG2 VAL 95 -7.684 -3.329 -3.329 742 3HG2 VAL 95 1HG2 VAL 95 -8.264 -4.927 -4.927 743 H ILE 96 H ILE 96 -3.353 -4.116 -4.116 744 HA ILE 96 HA ILE 96 -3.988 -3.031 -3.031 745 HB ILE 96 HB ILE 96 -1.577 -3.578 -3.578 746 1HG1 ILE 96 2HG1 ILE 96 -0.588 -3.332 -3.332 747 2HG1 ILE 96 1HG1 ILE 96 -1.845 -2.215 -2.215 748 1HG2 ILE 96 2HG2 ILE 96 -1.800 -0.672 -0.672 749 2HG2 ILE 96 1HG2 ILE 96 -0.303 -1.508 -1.508 750 3HG2 ILE 96 3HG2 ILE 96 -1.565 -1.311 -1.311 751 1HD1 ILE 96 2HD1 ILE 96 -2.443 -5.065 -5.065 752 2HD1 ILE 96 1HD1 ILE 96 -1.933 -4.570 -4.570 753 3HD1 ILE 96 3HD1 ILE 96 -3.420 -3.920 -3.920 754 H GLN 97 H GLN 97 -4.727 -1.107 -1.107 755 HA GLN 97 HA GLN 97 -5.285 0.689 0.689 756 1HB GLN 97 2HB GLN 97 -6.847 -0.201 -0.201 757 2HB GLN 97 1HB GLN 97 -6.532 1.500 1.500 758 1HG GLN 97 2HG GLN 97 -7.460 2.121 2.121 759 2HG GLN 97 1HG GLN 97 -7.631 0.430 0.430 760 1HE2 GLN 97 2HE2 GLN 97 -10.056 1.543 1.543 761 2HE2 GLN 97 1HE2 GLN 97 -8.361 1.875 1.875 762 H LEU 98 H LEU 98 -3.728 2.138 2.138 763 HA LEU 98 HA LEU 98 -2.328 3.327 3.327 764 1HB LEU 98 2HB LEU 98 -1.869 3.068 3.068 765 2HB LEU 98 1HB LEU 98 -1.403 4.619 4.619 766 HG LEU 98 HG LEU 98 0.191 3.629 3.629 767 1HD1 LEU 98 1HD1 LEU 98 -1.301 1.658 1.658 768 2HD1 LEU 98 3HD1 LEU 98 -0.651 0.881 0.881 769 3HD1 LEU 98 2HD1 LEU 98 0.428 1.333 1.333 770 1HD2 LEU 98 3HD2 LEU 98 0.292 2.253 2.253 771 2HD2 LEU 98 2HD2 LEU 98 0.921 3.857 3.857 772 3HD2 LEU 98 1HD2 LEU 98 1.648 2.428 2.428 773 H GLN 99 H GLN 99 -2.050 5.754 5.754 774 HA GLN 99 HA GLN 99 -4.655 6.984 6.984 775 1HB GLN 99 2HB GLN 99 -3.409 6.928 6.928 776 2HB GLN 99 1HB GLN 99 -2.640 8.366 8.366 777 1HG GLN 99 2HG GLN 99 -5.617 8.029 8.029 778 2HG GLN 99 1HG GLN 99 -4.717 8.687 8.687 779 1HE2 GLN 99 2HE2 GLN 99 -5.867 11.551 11.551 780 2HE2 GLN 99 1HE2 GLN 99 -6.554 10.283 10.283 781 H GLY 100 H GLY 100 -4.836 8.796 8.796 782 1HA GLY 100 2HA GLY 100 -4.215 10.527 10.527 783 2HA GLY 100 1HA GLY 100 -2.578 10.381 10.381 784 H ASP 101 H ASP 101 -2.498 10.924 10.924 785 HA ASP 101 HA ASP 101 -2.761 8.622 8.622 786 1HB ASP 101 2HB ASP 101 -1.751 10.091 10.091 787 2HB ASP 101 1HB ASP 101 -3.154 10.816 10.816 788 H GLN 102 H GLN 102 -1.417 7.074 7.074 789 HA GLN 102 HA GLN 102 1.458 7.651 7.651 790 1HB GLN 102 2HB GLN 102 -0.314 5.851 5.851 791 2HB GLN 102 1HB GLN 102 1.259 5.192 5.192 792 1HG GLN 102 2HG GLN 102 0.979 6.397 6.397 793 2HG GLN 102 1HG GLN 102 2.400 6.756 6.756 794 1HE2 GLN 102 2HE2 GLN 102 -0.570 9.567 9.567 795 2HE2 GLN 102 1HE2 GLN 102 -0.937 7.888 7.888 796 H ARG 103 H ARG 103 -0.700 6.598 6.598 797 HA ARG 103 HA ARG 103 0.012 4.126 4.126 798 1HB ARG 103 2HB ARG 103 -0.669 4.896 4.896 799 2HB ARG 103 1HB ARG 103 -1.781 5.455 5.455 800 1HG ARG 103 2HG ARG 103 -1.170 7.645 7.645 801 2HG ARG 103 1HG ARG 103 0.448 7.244 7.244 802 1HD ARG 103 2HD ARG 103 -0.211 7.283 7.283 803 2HD ARG 103 1HD ARG 103 -1.613 6.270 6.270 804 HE ARG 103 HE ARG 103 -2.913 8.153 8.153 805 1HH1 ARG 103 2HH1 ARG 103 0.448 9.085 9.085 806 2HH1 ARG 103 1HH1 ARG 103 0.114 10.777 10.777 807 1HH2 ARG 103 1HH2 ARG 103 -3.354 10.378 10.378 808 2HH2 ARG 103 2HH2 ARG 103 -2.044 11.511 11.511 809 H LYS 104 H LYS 104 1.868 7.065 7.065 810 HA LYS 104 HA LYS 104 3.812 5.892 5.892 811 1HB LYS 104 2HB LYS 104 3.442 8.636 8.636 812 2HB LYS 104 1HB LYS 104 4.944 8.183 8.183 813 1HG LYS 104 2HG LYS 104 3.990 8.102 8.102 814 2HG LYS 104 1HG LYS 104 2.388 7.713 7.713 815 1HD LYS 104 2HD LYS 104 2.375 9.960 9.960 816 2HD LYS 104 1HD LYS 104 2.218 10.023 10.023 817 1HE LYS 104 2HE LYS 104 3.828 11.600 11.600 818 2HE LYS 104 1HE LYS 104 4.876 10.184 10.184 819 1HZ LYS 104 1HZ LYS 104 4.754 10.174 10.174 820 2HZ LYS 104 3HZ LYS 104 3.946 11.659 11.659 821 3HZ LYS 104 2HZ LYS 104 5.531 11.530 11.530 822 H ASN 105 H ASN 105 3.345 6.461 6.461 823 HA ASN 105 HA ASN 105 6.172 6.100 6.100 824 1HB ASN 105 2HB ASN 105 3.722 6.749 6.749 825 2HB ASN 105 1HB ASN 105 5.173 6.166 6.166 826 1HD2 ASN 105 2HD2 ASN 105 4.860 9.982 9.982 827 2HD2 ASN 105 1HD2 ASN 105 3.560 8.846 8.846 828 H ILE 106 H ILE 106 3.149 4.305 4.305 829 HA ILE 106 HA ILE 106 4.091 2.175 2.175 830 HB ILE 106 HB ILE 106 1.704 2.572 2.572 831 1HG1 ILE 106 2HG1 ILE 106 1.066 0.192 0.192 832 2HG1 ILE 106 1HG1 ILE 106 2.720 -0.132 -0.132 833 1HG2 ILE 106 1HG2 ILE 106 1.912 3.170 3.170 834 2HG2 ILE 106 3HG2 ILE 106 2.109 1.454 1.454 835 3HG2 ILE 106 2HG2 ILE 106 0.606 2.039 2.039 836 1HD1 ILE 106 1HD1 ILE 106 1.871 0.843 0.843 837 2HD1 ILE 106 3HD1 ILE 106 2.328 -0.809 -0.809 838 3HD1 ILE 106 2HD1 ILE 106 3.522 0.485 0.485 839 H CYS 107 H CYS 107 3.795 2.462 2.462 840 HA CYS 107 HA CYS 107 4.879 -0.027 -0.027 841 1HB CYS 107 2HB CYS 107 5.628 1.166 1.166 842 2HB CYS 107 1HB CYS 107 3.909 1.234 1.234 843 HG CYS 107 HG CYS 107 4.519 3.721 3.721 844 H GLN 108 H GLN 108 6.326 2.990 2.990 845 HA GLN 108 HA GLN 108 9.037 2.251 2.251 846 1HB GLN 108 2HB GLN 108 8.815 4.537 4.537 847 2HB GLN 108 1HB GLN 108 7.591 4.526 4.526 848 1HG GLN 108 2HG GLN 108 9.212 5.408 5.408 849 2HG GLN 108 1HG GLN 108 9.758 3.742 3.742 850 1HE2 GLN 108 2HE2 GLN 108 12.532 4.117 4.117 851 2HE2 GLN 108 1HE2 GLN 108 11.342 2.995 2.995 852 H PHE 109 H PHE 109 6.835 2.090 2.090 853 HA PHE 109 HA PHE 109 8.778 1.370 1.370 854 1HB PHE 109 2HB PHE 109 6.607 2.352 2.352 855 2HB PHE 109 1HB PHE 109 5.782 0.938 0.938 856 HD1 PHE 109 HD1 PHE 109 8.355 1.891 1.891 857 HD2 PHE 109 HD2 PHE 109 5.247 -0.803 -0.803 858 HE1 PHE 109 HE1 PHE 109 8.533 0.802 0.802 859 HE2 PHE 109 HE2 PHE 109 5.420 -1.899 -1.899 860 HZ PHE 109 HZ PHE 109 7.063 -1.094 -1.094 861 H LEU 110 H LEU 110 6.413 -0.445 -0.445 862 HA LEU 110 HA LEU 110 6.916 -2.988 -2.988 863 1HB LEU 110 2HB LEU 110 5.828 -1.913 -1.913 864 2HB LEU 110 1HB LEU 110 6.241 -3.613 -3.613 865 HG LEU 110 HG LEU 110 4.611 -4.067 -4.067 866 1HD1 LEU 110 3HD1 LEU 110 4.299 -1.091 -1.091 867 2HD1 LEU 110 2HD1 LEU 110 3.346 -2.336 -2.336 868 3HD1 LEU 110 1HD1 LEU 110 5.075 -2.202 -2.202 869 1HD2 LEU 110 3HD2 LEU 110 3.786 -3.546 -3.546 870 2HD2 LEU 110 2HD2 LEU 110 2.584 -3.430 -3.430 871 3HD2 LEU 110 1HD2 LEU 110 3.304 -1.966 -1.966 872 H VAL 111 H VAL 111 8.696 -1.055 -1.055 873 HA VAL 111 HA VAL 111 10.410 -3.291 -3.291 874 HB VAL 111 HB VAL 111 10.544 -0.397 -0.397 875 1HG1 VAL 111 1HG1 VAL 111 12.176 -2.786 -2.786 876 2HG1 VAL 111 3HG1 VAL 111 11.750 -1.766 -1.766 877 3HG1 VAL 111 2HG1 VAL 111 12.619 -1.079 -1.079 878 1HG2 VAL 111 3HG2 VAL 111 8.531 -2.076 -2.076 879 2HG2 VAL 111 2HG2 VAL 111 9.116 -0.823 -0.823 880 3HG2 VAL 111 1HG2 VAL 111 9.667 -2.489 -2.489 881 H GLU 112 H GLU 112 10.411 -0.482 -0.482 882 HA GLU 112 HA GLU 112 13.235 -0.385 -0.385 883 1HB GLU 112 2HB GLU 112 10.869 0.831 0.831 884 2HB GLU 112 1HB GLU 112 12.489 0.985 0.985 885 1HG GLU 112 2HG GLU 112 12.357 1.675 1.675 886 2HG GLU 112 1HG GLU 112 11.308 2.674 2.674 887 H ILE 113 H ILE 113 10.508 -1.737 -1.737 888 HA ILE 113 HA ILE 113 12.271 -2.837 -2.837 889 HB ILE 113 HB ILE 113 10.334 -3.520 -3.520 890 1HG1 ILE 113 2HG1 ILE 113 8.772 -3.036 -3.036 891 2HG1 ILE 113 1HG1 ILE 113 9.137 -4.605 -4.605 892 1HG2 ILE 113 3HG2 ILE 113 10.781 -0.945 -0.945 893 2HG2 ILE 113 2HG2 ILE 113 9.138 -1.097 -1.097 894 3HG2 ILE 113 1HG2 ILE 113 9.483 -1.482 -1.482 895 1HD1 ILE 113 2HD1 ILE 113 7.803 -2.866 -2.866 896 2HD1 ILE 113 1HD1 ILE 113 6.864 -3.099 -3.099 897 3HD1 ILE 113 3HD1 ILE 113 7.386 -4.495 -4.495 898 H GLY 114 H GLY 114 10.736 -3.872 -3.872 899 1HA GLY 114 2HA GLY 114 11.394 -5.814 -5.814 900 2HA GLY 114 1HA GLY 114 11.959 -6.514 -6.514 901 H LEU 115 H LEU 115 8.851 -4.970 -4.970 902 HA LEU 115 HA LEU 115 7.499 -7.332 -7.332 903 1HB LEU 115 2HB LEU 115 7.016 -4.707 -4.707 904 2HB LEU 115 1HB LEU 115 5.962 -5.024 -5.024 905 HG LEU 115 HG LEU 115 4.699 -6.634 -6.634 906 1HD1 LEU 115 2HD1 LEU 115 6.906 -6.332 -6.332 907 2HD1 LEU 115 1HD1 LEU 115 5.298 -6.864 -6.864 908 3HD1 LEU 115 3HD1 LEU 115 6.211 -7.803 -7.803 909 1HD2 LEU 115 1HD2 LEU 115 4.530 -4.032 -4.032 910 2HD2 LEU 115 3HD2 LEU 115 3.555 -5.171 -5.171 911 3HD2 LEU 115 2HD2 LEU 115 5.020 -4.482 -4.482 912 H ALA 116 H ALA 116 6.825 -5.249 -5.249 913 HA ALA 116 HA ALA 116 5.747 -7.569 -7.569 914 1HB ALA 116 1HB ALA 116 4.508 -5.371 -5.371 915 2HB ALA 116 3HB ALA 116 5.737 -4.715 -4.715 916 3HB ALA 116 2HB ALA 116 4.713 -6.045 -6.045 917 H LYS 117 H LYS 117 6.179 -6.779 -6.779 918 HA LYS 117 HA LYS 117 9.110 -6.772 -6.772 919 1HB LYS 117 2HB LYS 117 7.197 -8.797 -8.797 920 2HB LYS 117 1HB LYS 117 8.250 -8.235 -8.235 921 1HG LYS 117 2HG LYS 117 9.466 -8.980 -8.980 922 2HG LYS 117 1HG LYS 117 8.922 -10.260 -10.260 923 1HD LYS 117 2HD LYS 117 11.078 -10.003 -10.003 924 2HD LYS 117 1HD LYS 117 10.257 -8.848 -8.848 925 1HE LYS 117 2HE LYS 117 11.319 -7.103 -7.103 926 2HE LYS 117 1HE LYS 117 11.059 -7.694 -7.694 927 1HZ LYS 117 3HZ LYS 117 12.913 -9.329 -9.329 928 2HZ LYS 117 2HZ LYS 117 13.264 -8.348 -8.348 929 3HZ LYS 117 1HZ LYS 117 13.359 -7.713 -7.713 930 H ASP 118 H ASP 118 9.951 -5.694 -5.694 931 HA ASP 118 HA ASP 118 8.635 -3.448 -3.448 932 1HB ASP 118 2HB ASP 118 10.391 -3.237 -3.237 933 2HB ASP 118 1HB ASP 118 11.076 -3.768 -3.768 934 H ASP 119 H ASP 119 8.480 -6.701 -6.701 935 HA ASP 119 HA ASP 119 7.258 -5.982 -5.982 936 1HB ASP 119 2HB ASP 119 6.906 -8.445 -8.445 937 2HB ASP 119 1HB ASP 119 8.584 -7.999 -7.999 938 H GLN 120 H GLN 120 6.238 -6.732 -6.732 939 HA GLN 120 HA GLN 120 3.478 -7.161 -7.161 940 1HB GLN 120 2HB GLN 120 4.629 -6.968 -6.968 941 2HB GLN 120 1HB GLN 120 3.056 -7.609 -7.609 942 1HG GLN 120 2HG GLN 120 4.260 -9.383 -9.383 943 2HG GLN 120 1HG GLN 120 5.754 -8.801 -8.801 944 1HE2 GLN 120 2HE2 GLN 120 4.250 -9.665 -9.665 945 2HE2 GLN 120 1HE2 GLN 120 4.610 -8.176 -8.176 946 H LEU 121 H LEU 121 5.392 -4.509 -4.509 947 HA LEU 121 HA LEU 121 3.952 -2.765 -2.765 948 1HB LEU 121 2HB LEU 121 5.669 -2.328 -2.328 949 2HB LEU 121 1HB LEU 121 4.895 -0.982 -0.982 950 HG LEU 121 HG LEU 121 6.743 -2.909 -2.909 951 1HD1 LEU 121 1HD1 LEU 121 7.325 -0.305 -0.305 952 2HD1 LEU 121 3HD1 LEU 121 8.375 -0.983 -0.983 953 3HD1 LEU 121 2HD1 LEU 121 8.094 -1.873 -1.873 954 1HD2 LEU 121 2HD2 LEU 121 5.183 -0.533 -0.533 955 2HD2 LEU 121 1HD2 LEU 121 5.729 -1.902 -1.902 956 3HD2 LEU 121 3HD2 LEU 121 6.843 -0.588 -0.588 957 H LYS 122 H LYS 122 1.730 -3.032 -3.032 958 HA LYS 122 HA LYS 122 0.636 -2.114 -2.114 959 1HB LYS 122 2HB LYS 122 -0.182 -4.210 -4.210 960 2HB LYS 122 1HB LYS 122 -1.496 -3.214 -3.214 961 1HG LYS 122 2HG LYS 122 0.498 -4.660 -4.660 962 2HG LYS 122 1HG LYS 122 -1.117 -5.252 -5.252 963 1HD LYS 122 2HD LYS 122 -2.113 -3.857 -3.857 964 2HD LYS 122 1HD LYS 122 -1.036 -2.516 -2.516 965 1HE LYS 122 2HE LYS 122 0.718 -4.042 -4.042 966 2HE LYS 122 1HE LYS 122 -0.744 -4.656 -4.656 967 1HZ LYS 122 2HZ LYS 122 -1.277 -2.197 -2.197 968 2HZ LYS 122 1HZ LYS 122 0.360 -1.919 -1.919 969 3HZ LYS 122 3HZ LYS 122 -0.090 -2.909 -2.909 970 H VAL 123 H VAL 123 0.995 0.090 0.090 971 HA VAL 123 HA VAL 123 -0.622 1.037 1.037 972 HB VAL 123 HB VAL 123 1.668 1.896 1.896 973 1HG1 VAL 123 1HG1 VAL 123 1.188 1.943 1.943 974 2HG1 VAL 123 3HG1 VAL 123 1.034 3.651 3.651 975 3HG1 VAL 123 2HG1 VAL 123 2.520 2.782 2.782 976 1HG2 VAL 123 1HG2 VAL 123 -0.383 3.255 3.255 977 2HG2 VAL 123 3HG2 VAL 123 1.169 4.057 4.057 978 3HG2 VAL 123 2HG2 VAL 123 -0.108 4.227 4.227 979 H HIS 124 H HIS 124 -2.664 1.633 1.633 980 HA HIS 124 HA HIS 124 -3.389 2.830 2.830 981 1HB HIS 124 2HB HIS 124 -5.251 1.177 1.177 982 2HB HIS 124 1HB HIS 124 -5.514 1.742 1.742 983 HD1 HIS 124 HD1 HIS 124 -4.853 0.187 0.187 984 HD2 HIS 124 HD2 HIS 124 -3.167 -0.864 -0.864 985 HE1 HIS 124 HE1 HIS 124 -3.724 -2.023 -2.023 986 HE2 HIS 124 HE2 HIS 124 -2.876 -2.718 -2.718 987 H GLY 125 H GLY 125 -2.972 4.909 4.909 988 1HA GLY 125 2HA GLY 125 -4.272 5.833 5.833 989 2HA GLY 125 1HA GLY 125 -3.638 6.849 6.849 990 H PHE 126 HN PHE 126 -6.354 6.173 6.173 991 HA PHE 126 HA PHE 126 -8.429 5.807 5.807 992 1HB PHE 126 2HB PHE 126 -9.849 6.700 6.700 993 2HB PHE 126 1HB PHE 126 -8.455 6.154 6.154 994 HD1 PHE 126 HD1 PHE 126 -6.523 8.261 8.261 995 HD2 PHE 126 HD2 PHE 126 -10.748 8.529 8.529 996 HE1 PHE 126 HE1 PHE 126 -6.280 10.517 10.517 997 HE2 PHE 126 HE2 PHE 126 -10.515 10.785 10.785 998 HZ PHE 126 HZ PHE 126 -8.279 11.782 11.782 Start of MODEL 18 1 1H MET 1 1H MET 1 -16.164 23.808 23.808 2 2H MET 1 3H MET 1 -17.216 22.599 22.599 3 3H MET 1 2H MET 1 -15.535 22.523 22.523 4 HA MET 1 HA MET 1 -15.912 20.966 20.966 5 1HB MET 1 2HB MET 1 -17.720 23.100 23.100 6 2HB MET 1 1HB MET 1 -16.990 22.013 22.013 7 1HG MET 1 2HG MET 1 -18.635 20.596 20.596 8 2HG MET 1 1HG MET 1 -17.938 20.344 20.344 9 1HE MET 1 1HE MET 1 -21.012 20.655 20.655 10 2HE MET 1 3HE MET 1 -21.979 21.942 21.942 11 3HE MET 1 2HE MET 1 -20.693 22.339 22.339 12 H ARG 2 H ARG 2 -15.762 24.129 24.129 13 HA ARG 2 HA ARG 2 -12.948 24.245 24.245 14 1HB ARG 2 2HB ARG 2 -13.725 22.278 22.278 15 2HB ARG 2 1HB ARG 2 -14.074 23.607 23.607 16 1HG ARG 2 2HG ARG 2 -11.951 23.377 23.377 17 2HG ARG 2 1HG ARG 2 -11.563 24.236 24.236 18 1HD ARG 2 2HD ARG 2 -10.624 22.428 22.428 19 2HD ARG 2 1HD ARG 2 -11.959 21.387 21.387 20 HE ARG 2 HE ARG 2 -9.441 21.665 21.665 21 1HH1 ARG 2 2HH1 ARG 2 -12.826 21.048 21.048 22 2HH1 ARG 2 1HH1 ARG 2 -12.543 20.163 20.163 23 1HH2 ARG 2 1HH2 ARG 2 -9.066 20.501 20.501 24 2HH2 ARG 2 2HH2 ARG 2 -10.410 19.851 19.851 25 H GLY 3 H GLY 3 -15.847 24.954 24.954 26 1HA GLY 3 2HA GLY 3 -16.771 27.067 27.067 27 2HA GLY 3 1HA GLY 3 -15.346 27.802 27.802 28 H SER 4 H SER 4 -15.833 25.567 25.567 29 HA SER 4 HA SER 4 -13.808 26.746 26.746 30 1HB SER 4 2HB SER 4 -14.434 24.473 24.473 31 2HB SER 4 1HB SER 4 -16.113 24.929 24.929 32 HG SER 4 HG SER 4 -15.157 24.692 24.692 33 H HIS 5 H HIS 5 -13.902 28.145 28.145 34 HA HIS 5 HA HIS 5 -16.163 29.972 29.972 35 1HB HIS 5 2HB HIS 5 -13.341 30.093 30.093 36 2HB HIS 5 1HB HIS 5 -14.451 30.984 30.984 37 HD1 HIS 5 HD1 HIS 5 -12.699 31.159 31.159 38 HD2 HIS 5 HD2 HIS 5 -15.931 33.044 33.044 39 HE1 HIS 5 HE1 HIS 5 -13.113 33.234 33.234 40 HE2 HIS 5 HE2 HIS 5 -15.129 34.312 34.312 41 H HIS 6 H HIS 6 -14.620 27.657 27.657 42 HA HIS 6 HA HIS 6 -16.988 27.450 27.450 43 1HB HIS 6 2HB HIS 6 -15.897 28.045 28.045 44 2HB HIS 6 1HB HIS 6 -16.070 29.420 29.420 45 HD1 HIS 6 HD1 HIS 6 -13.854 28.709 28.709 46 HD2 HIS 6 HD2 HIS 6 -13.316 28.999 28.999 47 HE1 HIS 6 HE1 HIS 6 -11.408 29.195 29.195 48 HE2 HIS 6 HE2 HIS 6 -11.125 29.459 29.459 49 H HIS 7 H HIS 7 -16.346 26.033 26.033 50 HA HIS 7 HA HIS 7 -14.656 23.851 23.851 51 1HB HIS 7 2HB HIS 7 -17.304 23.888 23.888 52 2HB HIS 7 1HB HIS 7 -16.202 22.671 22.671 53 HD1 HIS 7 HD1 HIS 7 -18.740 21.892 21.892 54 HD2 HIS 7 HD2 HIS 7 -14.956 22.305 22.305 55 HE1 HIS 7 HE1 HIS 7 -18.772 20.498 20.498 56 HE2 HIS 7 HE2 HIS 7 -16.499 20.829 20.829 57 H HIS 8 H HIS 8 -12.746 23.845 23.845 58 HA HIS 8 HA HIS 8 -12.255 25.046 25.046 59 1HB HIS 8 2HB HIS 8 -10.632 24.521 24.521 60 2HB HIS 8 1HB HIS 8 -10.418 22.984 22.984 61 HD1 HIS 8 HD1 HIS 8 -10.193 23.767 23.767 62 HD2 HIS 8 HD2 HIS 8 -8.465 25.993 25.993 63 HE1 HIS 8 HE1 HIS 8 -8.342 25.077 25.077 64 HE2 HIS 8 HE2 HIS 8 -7.260 26.356 26.356 65 H HIS 9 H HIS 9 -12.845 21.735 21.735 66 HA HIS 9 HA HIS 9 -13.373 20.994 20.994 67 1HB HIS 9 2HB HIS 9 -10.906 20.433 20.433 68 2HB HIS 9 1HB HIS 9 -11.767 19.002 19.002 69 HD1 HIS 9 HD1 HIS 9 -13.641 19.344 19.344 70 HD2 HIS 9 HD2 HIS 9 -9.566 18.642 18.642 71 HE1 HIS 9 HE1 HIS 9 -12.929 18.278 18.278 72 HE2 HIS 9 HE2 HIS 9 -10.475 17.786 17.786 73 H HIS 10 H HIS 10 -15.370 20.220 20.220 74 HA HIS 10 HA HIS 10 -16.125 18.489 18.489 75 1HB HIS 10 2HB HIS 10 -17.342 20.649 20.649 76 2HB HIS 10 1HB HIS 10 -17.943 20.262 20.262 77 HD1 HIS 10 HD1 HIS 10 -20.399 20.114 20.114 78 HD2 HIS 10 HD2 HIS 10 -17.997 17.653 17.653 79 HE1 HIS 10 HE1 HIS 10 -21.986 18.649 18.649 80 HE2 HIS 10 HE2 HIS 10 -20.514 17.226 17.226 81 H THR 11 H THR 11 -16.842 16.495 16.495 82 HA THR 11 HA THR 11 -18.106 15.780 15.780 83 HB THR 11 HB THR 11 -16.178 14.016 14.016 84 HG1 THR 11 HG1 THR 11 -14.158 14.898 14.898 85 1HG2 THR 11 2HG2 THR 11 -17.011 16.034 16.034 86 2HG2 THR 11 1HG2 THR 11 -15.480 16.748 16.748 87 3HG2 THR 11 3HG2 THR 11 -15.492 15.218 15.218 88 H ASP 12 H ASP 12 -15.885 14.002 14.002 89 HA ASP 12 HA ASP 12 -18.012 12.780 12.780 90 1HB ASP 12 2HB ASP 12 -17.453 10.438 10.438 91 2HB ASP 12 1HB ASP 12 -18.294 11.422 11.422 92 HA PRO 13 HA PRO 13 -14.111 12.732 12.732 93 1HB PRO 13 2HB PRO 13 -15.135 13.322 13.322 94 2HB PRO 13 1HB PRO 13 -14.935 14.560 14.560 95 1HG PRO 13 2HG PRO 13 -17.401 13.083 13.083 96 2HG PRO 13 1HG PRO 13 -17.205 14.797 14.797 97 1HD PRO 13 2HD PRO 13 -18.178 12.881 12.881 98 2HD PRO 13 1HD PRO 13 -17.430 14.408 14.408 99 H MET 14 H MET 14 -14.797 10.317 10.317 100 HA MET 14 HA MET 14 -14.966 8.122 8.122 101 1HB MET 14 2HB MET 14 -13.456 9.394 9.394 102 2HB MET 14 1HB MET 14 -14.044 7.761 7.761 103 1HG MET 14 2HG MET 14 -11.785 7.710 7.710 104 2HG MET 14 1HG MET 14 -12.898 6.994 6.994 105 1HE MET 14 1HE MET 14 -10.535 7.177 7.177 106 2HE MET 14 3HE MET 14 -11.128 7.702 7.702 107 3HE MET 14 2HE MET 14 -9.855 8.614 8.614 108 H SER 15 H SER 15 -17.156 10.075 10.075 109 HA SER 15 HA SER 15 -18.629 8.142 8.142 110 1HB SER 15 2HB SER 15 -18.176 11.046 11.046 111 2HB SER 15 1HB SER 15 -19.717 10.311 10.311 112 HG SER 15 HG SER 15 -17.176 9.301 9.301 113 H ALA 16 H ALA 16 -18.392 9.267 9.267 114 HA ALA 16 HA ALA 16 -21.275 9.544 9.544 115 1HB ALA 16 2HB ALA 16 -19.196 11.499 11.499 116 2HB ALA 16 1HB ALA 16 -20.102 11.071 11.071 117 3HB ALA 16 3HB ALA 16 -20.952 11.682 11.682 118 H ILE 17 H ILE 17 -19.163 7.396 7.396 119 HA ILE 17 HA ILE 17 -18.914 6.940 6.940 120 HB ILE 17 HB ILE 17 -18.336 4.860 4.860 121 1HG1 ILE 17 2HG1 ILE 17 -15.931 6.177 6.177 122 2HG1 ILE 17 1HG1 ILE 17 -17.090 7.490 7.490 123 1HG2 ILE 17 3HG2 ILE 17 -18.163 4.686 4.686 124 2HG2 ILE 17 2HG2 ILE 17 -16.602 5.455 5.455 125 3HG2 ILE 17 1HG2 ILE 17 -16.980 3.912 3.912 126 1HD1 ILE 17 3HD1 ILE 17 -17.173 5.267 5.267 127 2HD1 ILE 17 2HD1 ILE 17 -15.858 6.438 6.438 128 3HD1 ILE 17 1HD1 ILE 17 -17.534 6.980 6.980 129 H GLN 18 H GLN 18 -19.979 5.417 5.417 130 HA GLN 18 HA GLN 18 -22.588 4.649 4.649 131 1HB GLN 18 2HB GLN 18 -21.232 3.842 3.842 132 2HB GLN 18 1HB GLN 18 -22.956 3.835 3.835 133 1HG GLN 18 2HG GLN 18 -22.196 6.448 6.448 134 2HG GLN 18 1HG GLN 18 -21.256 5.981 5.981 135 1HE2 GLN 18 2HE2 GLN 18 -25.133 6.856 6.856 136 2HE2 GLN 18 1HE2 GLN 18 -24.205 7.098 7.098 137 H ASN 19 H ASN 19 -23.235 2.736 2.736 138 HA ASN 19 HA ASN 19 -21.442 0.424 0.424 139 1HB ASN 19 2HB ASN 19 -21.156 1.503 1.503 140 2HB ASN 19 1HB ASN 19 -22.856 1.175 1.175 141 1HD2 ASN 19 2HD2 ASN 19 -20.098 -1.825 -1.825 142 2HD2 ASN 19 1HD2 ASN 19 -19.746 -0.307 -0.307 143 H LEU 20 H LEU 20 -22.598 -0.908 -0.908 144 HA LEU 20 HA LEU 20 -25.479 -1.082 -1.082 145 1HB LEU 20 2HB LEU 20 -23.513 -1.723 -1.723 146 2HB LEU 20 1HB LEU 20 -24.596 -3.077 -3.077 147 HG LEU 20 HG LEU 20 -25.469 -0.267 -0.267 148 1HD1 LEU 20 1HD1 LEU 20 -24.791 -2.628 -2.628 149 2HD1 LEU 20 3HD1 LEU 20 -26.245 -1.739 -1.739 150 3HD1 LEU 20 2HD1 LEU 20 -24.689 -0.910 -0.910 151 1HD2 LEU 20 1HD2 LEU 20 -26.908 -2.766 -2.766 152 2HD2 LEU 20 3HD2 LEU 20 -27.310 -1.086 -1.086 153 3HD2 LEU 20 2HD2 LEU 20 -27.598 -1.740 -1.740 154 H HIS 21 H HIS 21 -22.642 -3.108 -3.108 155 HA HIS 21 HA HIS 21 -24.084 -4.649 -4.649 156 1HB HIS 21 2HB HIS 21 -24.049 -5.609 -5.609 157 2HB HIS 21 1HB HIS 21 -22.846 -6.565 -6.565 158 HD1 HIS 21 HD1 HIS 21 -26.260 -5.324 -5.324 159 HD2 HIS 21 HD2 HIS 21 -24.127 -8.855 -8.855 160 HE1 HIS 21 HE1 HIS 21 -27.757 -7.141 -7.141 161 HE2 HIS 21 HE2 HIS 21 -26.481 -9.279 -9.279 162 H SER 22 H SER 22 -22.533 -6.561 -6.561 163 HA SER 22 HA SER 22 -19.858 -5.363 -5.363 164 1HB SER 22 2HB SER 22 -19.696 -6.410 -6.410 165 2HB SER 22 1HB SER 22 -21.245 -5.570 -5.570 166 HG SER 22 HG SER 22 -22.238 -7.564 -7.564 167 H PHE 23 H PHE 23 -19.071 -6.367 -6.367 168 HA PHE 23 HA PHE 23 -19.024 -9.277 -9.277 169 1HB PHE 23 2HB PHE 23 -19.414 -7.758 -7.758 170 2HB PHE 23 1HB PHE 23 -17.686 -7.421 -7.421 171 HD1 PHE 23 HD2 PHE 23 -19.847 -10.461 -10.461 172 HD2 PHE 23 HD1 PHE 23 -16.453 -8.593 -8.593 173 HE1 PHE 23 HE2 PHE 23 -19.403 -12.503 -12.503 174 HE2 PHE 23 HE1 PHE 23 -16.002 -10.631 -10.631 175 HZ PHE 23 HZ PHE 23 -17.478 -12.590 -12.590 176 H ASP 24 H ASP 24 -17.345 -10.494 -10.494 177 HA ASP 24 HA ASP 24 -15.317 -11.109 -11.109 178 1HB ASP 24 2HB ASP 24 -14.346 -8.704 -8.704 179 2HB ASP 24 1HB ASP 24 -13.325 -9.986 -9.986 180 HA PRO 25 HA PRO 25 -15.913 -8.035 -8.035 181 1HB PRO 25 2HB PRO 25 -15.323 -10.570 -10.570 182 2HB PRO 25 1HB PRO 25 -16.552 -9.346 -9.346 183 1HG PRO 25 2HG PRO 25 -17.222 -11.677 -11.677 184 2HG PRO 25 1HG PRO 25 -17.999 -10.168 -10.168 185 1HD PRO 25 2HD PRO 25 -15.885 -11.780 -11.780 186 2HD PRO 25 1HD PRO 25 -17.248 -10.883 -10.883 187 H PHE 26 H PHE 26 -13.463 -10.439 -10.439 188 HA PHE 26 HA PHE 26 -11.498 -8.935 -8.935 189 1HB PHE 26 2HB PHE 26 -10.871 -11.570 -11.570 190 2HB PHE 26 1HB PHE 26 -10.234 -10.868 -10.868 191 HD1 PHE 26 HD1 PHE 26 -13.207 -12.473 -12.473 192 HD2 PHE 26 HD2 PHE 26 -11.198 -11.361 -11.361 193 HE1 PHE 26 HE1 PHE 26 -14.804 -13.814 -13.814 194 HE2 PHE 26 HE2 PHE 26 -12.790 -12.701 -12.701 195 HZ PHE 26 HZ PHE 26 -14.595 -13.931 -13.931 196 H ALA 27 H ALA 27 -12.117 -10.257 -10.257 197 HA ALA 27 HA ALA 27 -11.286 -9.738 -9.738 198 1HB ALA 27 1HB ALA 27 -11.776 -7.381 -7.381 199 2HB ALA 27 3HB ALA 27 -10.022 -7.236 -7.236 200 3HB ALA 27 2HB ALA 27 -10.981 -7.528 -7.528 201 H ASP 28 H ASP 28 -9.801 -11.548 -11.548 202 HA ASP 28 HA ASP 28 -7.198 -11.236 -11.236 203 1HB ASP 28 2HB ASP 28 -6.719 -13.315 -13.315 204 2HB ASP 28 1HB ASP 28 -8.038 -13.447 -13.447 205 H ALA 29 H ALA 29 -5.444 -10.289 -10.289 206 HA ALA 29 HA ALA 29 -5.137 -9.997 -9.997 207 1HB ALA 29 2HB ALA 29 -6.199 -7.918 -7.918 208 2HB ALA 29 1HB ALA 29 -4.487 -7.564 -7.564 209 3HB ALA 29 3HB ALA 29 -5.146 -7.738 -7.738 210 H SER 30 H SER 30 -3.829 -11.629 -11.629 211 HA SER 30 HA SER 30 -1.131 -11.150 -11.150 212 1HB SER 30 2HB SER 30 -1.519 -9.439 -9.439 213 2HB SER 30 1HB SER 30 -1.663 -10.810 -10.810 214 HG SER 30 HG SER 30 0.576 -10.270 -10.270 215 H LYS 31 H LYS 31 -0.604 -13.187 -13.187 216 HA LYS 31 HA LYS 31 -0.799 -15.171 -15.171 217 1HB LYS 31 2HB LYS 31 -2.724 -15.112 -15.112 218 2HB LYS 31 1HB LYS 31 -1.584 -16.317 -16.317 219 1HG LYS 31 2HG LYS 31 -2.880 -16.337 -16.337 220 2HG LYS 31 1HG LYS 31 -3.405 -17.290 -17.290 221 1HD LYS 31 2HD LYS 31 -1.536 -18.656 -18.656 222 2HD LYS 31 1HD LYS 31 -0.576 -17.468 -17.468 223 1HE LYS 31 2HE LYS 31 -2.978 -18.461 -18.461 224 2HE LYS 31 1HE LYS 31 -1.699 -19.648 -19.648 225 1HZ LYS 31 3HZ LYS 31 -0.852 -17.060 -17.060 226 2HZ LYS 31 2HZ LYS 31 -1.768 -18.000 -18.000 227 3HZ LYS 31 1HZ LYS 31 -0.329 -18.613 -18.613 228 H GLY 32 H GLY 32 1.288 -15.684 -15.684 229 1HA GLY 32 2HA GLY 32 2.745 -16.488 -16.488 230 2HA GLY 32 1HA GLY 32 3.507 -15.469 -15.469 231 H ASP 33 H ASP 33 5.151 -16.946 -16.946 232 HA ASP 33 HA ASP 33 4.335 -19.165 -19.165 233 1HB ASP 33 2HB ASP 33 4.963 -19.738 -19.738 234 2HB ASP 33 1HB ASP 33 6.574 -19.765 -19.765 235 H ASP 34 H ASP 34 7.104 -17.391 -17.391 236 HA ASP 34 HA ASP 34 8.942 -18.033 -18.033 237 1HB ASP 34 2HB ASP 34 9.515 -17.012 -17.012 238 2HB ASP 34 1HB ASP 34 8.856 -15.485 -15.485 239 H LEU 35 H LEU 35 7.402 -14.844 -14.844 240 HA LEU 35 HA LEU 35 7.922 -14.103 -14.103 241 1HB LEU 35 2HB LEU 35 6.598 -12.859 -12.859 242 2HB LEU 35 1HB LEU 35 6.172 -12.237 -12.237 243 HG LEU 35 HG LEU 35 8.546 -11.754 -11.754 244 1HD1 LEU 35 1HD1 LEU 35 9.357 -13.570 -13.570 245 2HD1 LEU 35 3HD1 LEU 35 9.080 -12.415 -12.415 246 3HD1 LEU 35 2HD1 LEU 35 10.239 -12.043 -12.043 247 1HD2 LEU 35 2HD2 LEU 35 7.413 -10.582 -10.582 248 2HD2 LEU 35 1HD2 LEU 35 7.186 -9.985 -9.985 249 3HD2 LEU 35 3HD2 LEU 35 8.779 -9.911 -9.911 250 H LEU 36 H LEU 36 5.822 -12.933 -12.933 251 HA LEU 36 HA LEU 36 3.886 -15.119 -15.119 252 1HB LEU 36 2HB LEU 36 4.596 -12.872 -12.872 253 2HB LEU 36 1HB LEU 36 3.433 -14.144 -14.144 254 HG LEU 36 HG LEU 36 5.453 -14.669 -14.669 255 1HD1 LEU 36 1HD1 LEU 36 4.183 -16.471 -16.471 256 2HD1 LEU 36 3HD1 LEU 36 5.556 -16.440 -16.440 257 3HD1 LEU 36 2HD1 LEU 36 5.800 -16.857 -16.857 258 1HD2 LEU 36 2HD2 LEU 36 6.755 -13.314 -13.314 259 2HD2 LEU 36 1HD2 LEU 36 7.540 -14.350 -14.350 260 3HD2 LEU 36 3HD2 LEU 36 7.157 -14.981 -14.981 261 HA PRO 37 HA PRO 37 0.807 -12.564 -12.564 262 1HB PRO 37 2HB PRO 37 -1.395 -13.752 -13.752 263 2HB PRO 37 1HB PRO 37 -0.573 -14.354 -14.354 264 1HG PRO 37 2HG PRO 37 -0.316 -15.241 -15.241 265 2HG PRO 37 1HG PRO 37 -0.324 -16.210 -16.210 266 1HD PRO 37 2HD PRO 37 1.952 -15.650 -15.650 267 2HD PRO 37 1HD PRO 37 1.900 -15.765 -15.765 268 H ALA 38 H ALA 38 -0.351 -13.425 -13.425 269 HA ALA 38 HA ALA 38 0.076 -10.922 -10.922 270 1HB ALA 38 1HB ALA 38 -2.699 -11.297 -11.297 271 2HB ALA 38 3HB ALA 38 -2.227 -10.037 -10.037 272 3HB ALA 38 2HB ALA 38 -1.527 -10.069 -10.069 273 H GLY 39 H GLY 39 0.695 -12.845 -12.845 274 1HA GLY 39 2HA GLY 39 -1.316 -14.423 -14.423 275 2HA GLY 39 1HA GLY 39 0.338 -14.230 -14.230 276 H THR 40 H THR 40 0.588 -13.273 -13.273 277 HA THR 40 HA THR 40 -0.958 -11.008 -11.008 278 HB THR 40 HB THR 40 -1.712 -12.283 -12.283 279 HG1 THR 40 HG1 THR 40 -2.113 -14.431 -14.431 280 1HG2 THR 40 1HG2 THR 40 -3.082 -11.455 -11.455 281 2HG2 THR 40 3HG2 THR 40 -3.425 -13.185 -13.185 282 3HG2 THR 40 2HG2 THR 40 -3.813 -12.235 -12.235 283 H GLU 41 H GLU 41 1.161 -13.654 -13.654 284 HA GLU 41 HA GLU 41 3.051 -13.692 -13.692 285 1HB GLU 41 2HB GLU 41 3.063 -11.143 -11.143 286 2HB GLU 41 1HB GLU 41 3.795 -10.993 -10.993 287 1HG GLU 41 2HG GLU 41 4.654 -13.304 -13.304 288 2HG GLU 41 1HG GLU 41 5.143 -11.713 -11.713 289 H ASP 42 H ASP 42 0.287 -12.874 -12.874 290 HA ASP 42 HA ASP 42 -0.635 -12.253 -12.253 291 1HB ASP 42 2HB ASP 42 1.592 -14.040 -14.040 292 2HB ASP 42 1HB ASP 42 1.332 -12.974 -12.974 293 H TYR 43 H TYR 43 -0.014 -10.004 -10.004 294 HA TYR 43 HA TYR 43 2.058 -8.521 -8.521 295 1HB TYR 43 2HB TYR 43 -0.525 -7.503 -7.503 296 2HB TYR 43 1HB TYR 43 0.922 -6.550 -6.550 297 HD1 TYR 43 HD1 TYR 43 2.874 -8.776 -8.776 298 HD2 TYR 43 HD2 TYR 43 -0.628 -7.022 -7.022 299 HE1 TYR 43 HE1 TYR 43 3.698 -9.284 -9.284 300 HE2 TYR 43 HE2 TYR 43 0.188 -7.536 -7.536 301 HH TYR 43 HH TYR 43 2.635 -7.909 -7.909 302 H ILE 44 H ILE 44 1.379 -6.384 -6.384 303 HA ILE 44 HA ILE 44 -0.382 -7.152 -7.152 304 HB ILE 44 HB ILE 44 2.114 -5.451 -5.451 305 1HG1 ILE 44 2HG1 ILE 44 2.712 -7.752 -7.752 306 2HG1 ILE 44 1HG1 ILE 44 2.823 -7.215 -7.215 307 1HG2 ILE 44 3HG2 ILE 44 0.069 -6.007 -6.007 308 2HG2 ILE 44 2HG2 ILE 44 1.682 -5.370 -5.370 309 3HG2 ILE 44 1HG2 ILE 44 0.548 -4.440 -4.440 310 1HD1 ILE 44 2HD1 ILE 44 0.388 -8.127 -8.127 311 2HD1 ILE 44 1HD1 ILE 44 0.854 -9.048 -9.048 312 3HD1 ILE 44 3HD1 ILE 44 1.762 -9.231 -9.231 313 H HIS 45 H HIS 45 -2.245 -6.151 -6.151 314 HA HIS 45 HA HIS 45 -2.421 -3.641 -3.641 315 1HB HIS 45 2HB HIS 45 -4.210 -5.694 -5.694 316 2HB HIS 45 1HB HIS 45 -4.819 -4.158 -4.158 317 HD1 HIS 45 HD1 HIS 45 -3.819 -5.816 -5.816 318 HD2 HIS 45 HD2 HIS 45 -6.033 -2.579 -2.579 319 HE1 HIS 45 HE1 HIS 45 -4.988 -4.895 -4.895 320 HE2 HIS 45 HE2 HIS 45 -6.397 -2.996 -2.996 321 H ILE 46 H ILE 46 -2.381 -1.660 -1.660 322 HA ILE 46 HA ILE 46 -2.669 -1.198 -1.198 323 HB ILE 46 HB ILE 46 -0.666 -0.009 -0.009 324 1HG1 ILE 46 2HG1 ILE 46 -0.664 -2.037 -2.037 325 2HG1 ILE 46 1HG1 ILE 46 0.672 -1.502 -1.502 326 1HG2 ILE 46 2HG2 ILE 46 -1.552 1.045 1.045 327 2HG2 ILE 46 1HG2 ILE 46 -0.040 1.510 1.510 328 3HG2 ILE 46 3HG2 ILE 46 -1.584 1.882 1.882 329 1HD1 ILE 46 2HD1 ILE 46 -0.084 -0.126 -0.126 330 2HD1 ILE 46 1HD1 ILE 46 1.048 -1.474 -1.474 331 3HD1 ILE 46 3HD1 ILE 46 1.413 0.023 0.023 332 H ARG 47 H ARG 47 -4.597 -0.310 -0.310 333 HA ARG 47 HA ARG 47 -5.493 1.598 1.598 334 1HB ARG 47 2HB ARG 47 -6.783 -0.479 -0.479 335 2HB ARG 47 1HB ARG 47 -7.468 0.995 0.995 336 1HG ARG 47 2HG ARG 47 -8.671 1.363 1.363 337 2HG ARG 47 1HG ARG 47 -7.271 1.141 1.141 338 1HD ARG 47 2HD ARG 47 -7.574 -1.257 -1.257 339 2HD ARG 47 1HD ARG 47 -8.896 -1.100 -1.100 340 HE ARG 47 HE ARG 47 -9.733 0.388 0.388 341 1HH1 ARG 47 2HH1 ARG 47 -8.538 -2.880 -2.880 342 2HH1 ARG 47 1HH1 ARG 47 -9.465 -3.465 -3.465 343 1HH2 ARG 47 1HH2 ARG 47 -10.954 -0.381 -0.381 344 2HH2 ARG 47 2HH2 ARG 47 -10.837 -2.047 -2.047 345 H ILE 48 H ILE 48 -6.826 3.425 3.425 346 HA ILE 48 HA ILE 48 -5.989 4.563 4.563 347 HB ILE 48 HB ILE 48 -4.752 5.379 5.379 348 1HG1 ILE 48 2HG1 ILE 48 -5.515 7.139 7.139 349 2HG1 ILE 48 1HG1 ILE 48 -4.130 6.052 6.052 350 1HG2 ILE 48 2HG2 ILE 48 -7.123 6.211 6.211 351 2HG2 ILE 48 1HG2 ILE 48 -6.730 7.578 7.578 352 3HG2 ILE 48 3HG2 ILE 48 -5.691 7.185 7.185 353 1HD1 ILE 48 1HD1 ILE 48 -3.853 7.659 7.659 354 2HD1 ILE 48 3HD1 ILE 48 -4.409 8.756 8.756 355 3HD1 ILE 48 2HD1 ILE 48 -2.955 7.789 7.789 356 H GLN 49 H GLN 49 -7.564 5.846 5.846 357 HA GLN 49 HA GLN 49 -10.069 6.189 6.189 358 1HB GLN 49 2HB GLN 49 -11.287 5.720 5.720 359 2HB GLN 49 1HB GLN 49 -10.493 4.335 4.335 360 1HG GLN 49 2HG GLN 49 -8.594 5.415 5.415 361 2HG GLN 49 1HG GLN 49 -10.118 5.509 5.509 362 1HE2 GLN 49 2HE2 GLN 49 -10.244 2.138 2.138 363 2HE2 GLN 49 1HE2 GLN 49 -10.879 3.731 3.731 364 H GLN 50 H GLN 50 -9.703 8.352 8.352 365 HA GLN 50 HA GLN 50 -9.287 10.123 10.123 366 1HB GLN 50 2HB GLN 50 -8.099 10.274 10.274 367 2HB GLN 50 1HB GLN 50 -9.589 11.055 11.055 368 1HG GLN 50 2HG GLN 50 -9.244 12.901 12.901 369 2HG GLN 50 1HG GLN 50 -8.200 12.031 12.031 370 1HE2 GLN 50 2HE2 GLN 50 -5.603 13.797 13.797 371 2HE2 GLN 50 1HE2 GLN 50 -6.619 13.629 13.629 372 H ARG 51 H ARG 51 -11.175 10.302 10.302 373 HA ARG 51 HA ARG 51 -13.657 10.777 10.777 374 1HB ARG 51 2HB ARG 51 -13.476 10.915 10.915 375 2HB ARG 51 1HB ARG 51 -14.771 10.292 10.292 376 1HG ARG 51 2HG ARG 51 -12.165 8.960 8.960 377 2HG ARG 51 1HG ARG 51 -13.796 8.445 8.445 378 1HD ARG 51 2HD ARG 51 -13.855 8.613 8.613 379 2HD ARG 51 1HD ARG 51 -12.262 7.944 7.944 380 HE ARG 51 HE ARG 51 -13.263 6.002 6.002 381 1HH1 ARG 51 2HH1 ARG 51 -15.678 8.516 8.516 382 2HH1 ARG 51 1HH1 ARG 51 -17.005 7.431 7.431 383 1HH2 ARG 51 1HH2 ARG 51 -15.008 4.575 4.575 384 2HH2 ARG 51 2HH2 ARG 51 -16.625 5.194 5.194 385 H ASN 52 H ASN 52 -14.753 12.681 12.681 386 HA ASN 52 HA ASN 52 -15.124 14.923 14.923 387 1HB ASN 52 2HB ASN 52 -15.161 14.403 14.403 388 2HB ASN 52 1HB ASN 52 -13.491 14.958 14.958 389 1HD2 ASN 52 2HD2 ASN 52 -14.276 18.326 18.326 390 2HD2 ASN 52 1HD2 ASN 52 -13.066 17.093 17.093 391 H GLY 53 H GLY 53 -12.585 13.745 13.745 392 1HA GLY 53 2HA GLY 53 -10.742 14.532 14.532 393 2HA GLY 53 1HA GLY 53 -11.437 16.135 16.135 394 H ARG 54 H ARG 54 -10.366 13.871 13.871 395 HA ARG 54 HA ARG 54 -7.886 15.098 15.098 396 1HB ARG 54 2HB ARG 54 -8.322 16.458 16.458 397 2HB ARG 54 1HB ARG 54 -9.438 16.969 16.969 398 1HG ARG 54 2HG ARG 54 -11.240 15.739 15.739 399 2HG ARG 54 1HG ARG 54 -10.131 15.131 15.131 400 1HD ARG 54 2HD ARG 54 -10.767 18.041 18.041 401 2HD ARG 54 1HD ARG 54 -11.499 17.037 17.037 402 HE ARG 54 HE ARG 54 -8.635 17.062 17.062 403 1HH1 ARG 54 2HH1 ARG 54 -11.530 18.758 18.758 404 2HH1 ARG 54 1HH1 ARG 54 -10.778 19.527 19.527 405 1HH2 ARG 54 1HH2 ARG 54 -7.645 18.072 18.072 406 2HH2 ARG 54 2HH2 ARG 54 -8.573 19.138 19.138 407 H LYS 55 H LYS 55 -10.662 13.498 13.498 408 HA LYS 55 HA LYS 55 -9.155 12.180 12.180 409 1HB LYS 55 2HB LYS 55 -11.841 12.515 12.515 410 2HB LYS 55 1HB LYS 55 -11.594 10.799 10.799 411 1HG LYS 55 2HG LYS 55 -12.201 10.911 10.911 412 2HG LYS 55 1HG LYS 55 -10.441 10.796 10.796 413 1HD LYS 55 2HD LYS 55 -10.851 13.502 13.502 414 2HD LYS 55 1HD LYS 55 -12.215 12.964 12.964 415 1HE LYS 55 2HE LYS 55 -10.751 11.927 11.927 416 2HE LYS 55 1HE LYS 55 -9.352 12.198 12.198 417 1HZ LYS 55 3HZ LYS 55 -10.229 14.688 14.688 418 2HZ LYS 55 2HZ LYS 55 -10.725 14.040 14.040 419 3HZ LYS 55 1HZ LYS 55 -9.095 13.977 13.977 420 H THR 56 H THR 56 -7.405 11.550 11.550 421 HA THR 56 HA THR 56 -7.989 9.267 9.267 422 HB THR 56 HB THR 56 -5.176 9.994 9.994 423 HG1 THR 56 HG1 THR 56 -5.324 11.962 11.962 424 1HG2 THR 56 1HG2 THR 56 -6.857 9.061 9.061 425 2HG2 THR 56 3HG2 THR 56 -5.801 10.386 10.386 426 3HG2 THR 56 2HG2 THR 56 -5.114 8.927 8.927 427 H LEU 57 H LEU 57 -7.278 7.198 7.198 428 HA LEU 57 HA LEU 57 -5.771 6.503 6.503 429 1HB LEU 57 2HB LEU 57 -8.635 6.143 6.143 430 2HB LEU 57 1HB LEU 57 -7.821 4.609 4.609 431 HG LEU 57 HG LEU 57 -7.233 6.922 6.922 432 1HD1 LEU 57 2HD1 LEU 57 -9.772 5.514 5.514 433 2HD1 LEU 57 1HD1 LEU 57 -9.076 5.426 5.426 434 3HD1 LEU 57 3HD1 LEU 57 -9.373 6.995 6.995 435 1HD2 LEU 57 2HD2 LEU 57 -6.535 4.141 4.141 436 2HD2 LEU 57 1HD2 LEU 57 -5.911 5.388 5.388 437 3HD2 LEU 57 3HD2 LEU 57 -7.351 4.474 4.474 438 H THR 58 H THR 58 -4.156 5.843 5.843 439 HA THR 58 HA THR 58 -4.554 4.136 4.136 440 HB THR 58 HB THR 58 -2.068 4.497 4.497 441 HG1 THR 58 HG1 THR 58 -3.187 6.372 6.372 442 1HG2 THR 58 1HG2 THR 58 -2.525 3.261 3.261 443 2HG2 THR 58 3HG2 THR 58 -1.008 4.089 4.089 444 3HG2 THR 58 2HG2 THR 58 -1.509 2.714 2.714 445 H THR 59 H THR 59 -4.932 2.024 2.024 446 HA THR 59 HA THR 59 -4.482 0.367 0.367 447 HB THR 59 HB THR 59 -6.182 -1.102 -1.102 448 HG1 THR 59 HG1 THR 59 -7.028 1.601 1.601 449 1HG2 THR 59 2HG2 THR 59 -6.549 0.610 0.610 450 2HG2 THR 59 1HG2 THR 59 -8.002 0.107 0.107 451 3HG2 THR 59 3HG2 THR 59 -6.886 -1.105 -1.105 452 H VAL 60 H VAL 60 -3.950 -1.914 -1.914 453 HA VAL 60 HA VAL 60 -2.506 -2.305 -2.305 454 HB VAL 60 HB VAL 60 -1.449 -3.131 -3.131 455 1HG1 VAL 60 2HG1 VAL 60 -0.830 -4.644 -4.644 456 2HG1 VAL 60 1HG1 VAL 60 -0.178 -3.272 -3.272 457 3HG1 VAL 60 3HG1 VAL 60 0.566 -3.766 -3.766 458 1HG2 VAL 60 3HG2 VAL 60 -1.146 -0.687 -0.687 459 2HG2 VAL 60 2HG2 VAL 60 -0.853 -0.971 -0.971 460 3HG2 VAL 60 1HG2 VAL 60 0.375 -1.406 -1.406 461 H GLN 61 H GLN 61 -3.036 -4.113 -4.113 462 HA GLN 61 HA GLN 61 -4.194 -6.324 -6.324 463 1HB GLN 61 2HB GLN 61 -5.088 -6.373 -6.373 464 2HB GLN 61 1HB GLN 61 -6.041 -6.331 -6.331 465 1HG GLN 61 2HG GLN 61 -5.693 -3.847 -3.847 466 2HG GLN 61 1HG GLN 61 -4.982 -3.996 -3.996 467 1HE2 GLN 61 2HE2 GLN 61 -8.323 -5.360 -5.360 468 2HE2 GLN 61 1HE2 GLN 61 -6.795 -6.112 -6.112 469 H GLY 62 H GLY 62 -3.595 -8.401 -8.401 470 1HA GLY 62 2HA GLY 62 -2.604 -9.953 -9.953 471 2HA GLY 62 1HA GLY 62 -1.569 -8.643 -8.643 472 H ILE 63 H ILE 63 -1.122 -7.773 -7.773 473 HA ILE 63 HA ILE 63 1.268 -9.158 -9.158 474 HB ILE 63 HB ILE 63 -0.376 -7.328 -7.328 475 1HG1 ILE 63 2HG1 ILE 63 0.588 -5.952 -5.952 476 2HG1 ILE 63 1HG1 ILE 63 1.882 -5.985 -5.985 477 1HG2 ILE 63 3HG2 ILE 63 1.894 -9.004 -9.004 478 2HG2 ILE 63 2HG2 ILE 63 2.073 -7.301 -7.301 479 3HG2 ILE 63 1HG2 ILE 63 0.680 -8.210 -8.210 480 1HD1 ILE 63 3HD1 ILE 63 2.829 -7.921 -7.921 481 2HD1 ILE 63 2HD1 ILE 63 1.720 -7.366 -7.366 482 3HD1 ILE 63 1HD1 ILE 63 2.965 -6.281 -6.281 483 H ALA 64 H ALA 64 1.856 -10.672 -10.672 484 HA ALA 64 HA ALA 64 -0.197 -12.571 -12.571 485 1HB ALA 64 1HB ALA 64 2.303 -12.960 -12.960 486 2HB ALA 64 3HB ALA 64 2.591 -12.841 -12.841 487 3HB ALA 64 2HB ALA 64 1.492 -14.069 -14.069 488 H ASP 65 H ASP 65 -0.866 -13.176 -13.176 489 HA ASP 65 HA ASP 65 -0.877 -11.126 -11.126 490 1HB ASP 65 2HB ASP 65 -2.771 -12.694 -12.694 491 2HB ASP 65 1HB ASP 65 -1.778 -14.001 -14.001 492 H ASP 66 H ASP 66 1.397 -13.480 -13.480 493 HA ASP 66 HA ASP 66 2.327 -13.798 -13.798 494 1HB ASP 66 2HB ASP 66 2.216 -15.672 -15.672 495 2HB ASP 66 1HB ASP 66 3.708 -14.953 -14.953 496 H TYR 67 H TYR 67 2.483 -11.214 -11.214 497 HA TYR 67 HA TYR 67 5.341 -10.850 -10.850 498 1HB TYR 67 2HB TYR 67 2.908 -9.156 -9.156 499 2HB TYR 67 1HB TYR 67 4.503 -8.416 -8.416 500 HD1 TYR 67 HD1 TYR 67 4.359 -11.792 -11.792 501 HD2 TYR 67 HD2 TYR 67 3.998 -7.680 -7.680 502 HE1 TYR 67 HE1 TYR 67 4.674 -12.353 -12.353 503 HE2 TYR 67 HE2 TYR 67 4.307 -8.220 -8.220 504 HH TYR 67 HH TYR 67 3.967 -11.195 -11.195 505 H ASP 68 H ASP 68 4.159 -11.406 -11.406 506 HA ASP 68 HA ASP 68 4.805 -10.861 -10.861 507 1HB ASP 68 2HB ASP 68 6.731 -9.635 -9.635 508 2HB ASP 68 1HB ASP 68 5.868 -8.192 -8.192 509 H LYS 69 H LYS 69 2.861 -8.927 -8.927 510 HA LYS 69 HA LYS 69 1.046 -7.624 -7.624 511 1HB LYS 69 2HB LYS 69 0.293 -9.451 -9.451 512 2HB LYS 69 1HB LYS 69 1.244 -8.845 -8.845 513 1HG LYS 69 2HG LYS 69 -0.363 -6.701 -6.701 514 2HG LYS 69 1HG LYS 69 -1.412 -8.111 -8.111 515 1HD LYS 69 2HD LYS 69 0.293 -7.678 -7.678 516 2HD LYS 69 1HD LYS 69 -1.307 -6.949 -6.949 517 1HE LYS 69 2HE LYS 69 -1.981 -9.424 -9.424 518 2HE LYS 69 1HE LYS 69 -0.534 -9.807 -9.807 519 1HZ LYS 69 1HZ LYS 69 -2.665 -8.048 -8.048 520 2HZ LYS 69 3HZ LYS 69 -2.712 -9.729 -9.729 521 3HZ LYS 69 2HZ LYS 69 -1.438 -8.837 -8.837 522 H LYS 70 H LYS 70 2.419 -7.381 -7.381 523 HA LYS 70 HA LYS 70 2.070 -4.654 -4.654 524 1HB LYS 70 2HB LYS 70 2.946 -6.619 -6.619 525 2HB LYS 70 1HB LYS 70 4.464 -5.790 -5.790 526 1HG LYS 70 2HG LYS 70 3.429 -4.940 -4.940 527 2HG LYS 70 1HG LYS 70 3.476 -3.689 -3.689 528 1HD LYS 70 2HD LYS 70 1.296 -3.399 -3.399 529 2HD LYS 70 1HD LYS 70 1.046 -4.952 -4.952 530 1HE LYS 70 2HE LYS 70 0.307 -5.835 -5.835 531 2HE LYS 70 1HE LYS 70 1.822 -5.427 -5.427 532 1HZ LYS 70 1HZ LYS 70 0.782 -3.100 -3.100 533 2HZ LYS 70 3HZ LYS 70 -0.688 -3.885 -3.885 534 3HZ LYS 70 2HZ LYS 70 0.244 -4.310 -4.310 535 H LYS 71 H LYS 71 5.262 -6.177 -6.177 536 HA LYS 71 HA LYS 71 6.709 -3.922 -3.922 537 1HB LYS 71 2HB LYS 71 7.126 -6.693 -6.693 538 2HB LYS 71 1HB LYS 71 7.552 -6.055 -6.055 539 1HG LYS 71 2HG LYS 71 9.047 -4.422 -4.422 540 2HG LYS 71 1HG LYS 71 8.686 -5.207 -5.207 541 1HD LYS 71 2HD LYS 71 9.492 -7.360 -7.360 542 2HD LYS 71 1HD LYS 71 10.105 -6.362 -6.362 543 1HE LYS 71 2HE LYS 71 11.712 -5.366 -5.366 544 2HE LYS 71 1HE LYS 71 10.827 -5.679 -5.679 545 1HZ LYS 71 3HZ LYS 71 12.188 -7.745 -7.745 546 2HZ LYS 71 2HZ LYS 71 12.800 -7.078 -7.078 547 3HZ LYS 71 1HZ LYS 71 11.388 -8.008 -8.008 548 H LEU 72 H LEU 72 4.406 -5.528 -5.528 549 HA LEU 72 HA LEU 72 5.205 -4.517 -4.517 550 1HB LEU 72 2HB LEU 72 3.424 -6.309 -6.309 551 2HB LEU 72 1HB LEU 72 2.325 -4.946 -4.946 552 HG LEU 72 HG LEU 72 3.865 -5.897 -5.897 553 1HD1 LEU 72 2HD1 LEU 72 1.728 -7.074 -7.074 554 2HD1 LEU 72 1HD1 LEU 72 0.896 -5.628 -5.628 555 3HD1 LEU 72 3HD1 LEU 72 1.834 -6.608 -6.608 556 1HD2 LEU 72 3HD2 LEU 72 2.252 -3.410 -3.410 557 2HD2 LEU 72 2HD2 LEU 72 3.865 -3.567 -3.567 558 3HD2 LEU 72 1HD2 LEU 72 2.454 -4.096 -4.096 559 H VAL 73 H VAL 73 2.375 -3.396 -3.396 560 HA VAL 73 HA VAL 73 2.447 -0.852 -0.852 561 HB VAL 73 HB VAL 73 0.316 -2.007 -2.007 562 1HG1 VAL 73 2HG1 VAL 73 1.178 -2.698 -2.698 563 2HG1 VAL 73 1HG1 VAL 73 0.715 -1.076 -1.076 564 3HG1 VAL 73 3HG1 VAL 73 -0.504 -2.179 -2.179 565 1HG2 VAL 73 2HG2 VAL 73 0.836 0.635 0.635 566 2HG2 VAL 73 1HG2 VAL 73 -0.782 -0.041 -0.041 567 3HG2 VAL 73 3HG2 VAL 73 0.101 0.531 0.531 568 H LYS 74 H LYS 74 3.059 -2.047 -2.047 569 HA LYS 74 HA LYS 74 3.297 0.281 0.281 570 1HB LYS 74 2HB LYS 74 3.581 -2.049 -2.049 571 2HB LYS 74 1HB LYS 74 5.213 -2.042 -2.042 572 1HG LYS 74 2HG LYS 74 5.245 0.238 0.238 573 2HG LYS 74 1HG LYS 74 4.135 -0.753 -0.753 574 1HD LYS 74 2HD LYS 74 5.765 -2.482 -2.482 575 2HD LYS 74 1HD LYS 74 6.842 -1.701 -1.701 576 1HE LYS 74 2HE LYS 74 6.859 0.275 0.275 577 2HE LYS 74 1HE LYS 74 6.146 -0.836 -0.836 578 1HZ LYS 74 2HZ LYS 74 8.065 -2.298 -2.298 579 2HZ LYS 74 1HZ LYS 74 8.753 -1.187 -1.187 580 3HZ LYS 74 3HZ LYS 74 8.532 -0.768 -0.768 581 H ALA 75 H ALA 75 5.726 -1.190 -1.190 582 HA ALA 75 HA ALA 75 7.795 0.649 0.649 583 1HB ALA 75 2HB ALA 75 7.231 -1.302 -1.302 584 2HB ALA 75 1HB ALA 75 8.524 -0.122 -0.122 585 3HB ALA 75 3HB ALA 75 8.571 -1.247 -1.247 586 H PHE 76 H PHE 76 5.008 0.762 0.762 587 HA PHE 76 HA PHE 76 5.805 2.808 2.808 588 1HB PHE 76 2HB PHE 76 3.660 1.284 1.284 589 2HB PHE 76 1HB PHE 76 2.965 2.620 2.620 590 HD1 PHE 76 HD1 PHE 76 4.379 1.598 1.598 591 HD2 PHE 76 HD2 PHE 76 2.452 4.709 4.709 592 HE1 PHE 76 HE1 PHE 76 3.942 2.796 2.796 593 HE2 PHE 76 HE2 PHE 76 2.010 5.908 5.908 594 HZ PHE 76 HZ PHE 76 2.756 4.951 4.951 595 H LYS 77 H LYS 77 4.121 2.946 2.946 596 HA LYS 77 HA LYS 77 3.920 5.781 5.781 597 1HB LYS 77 2HB LYS 77 3.842 3.861 3.861 598 2HB LYS 77 1HB LYS 77 3.221 5.507 5.507 599 1HG LYS 77 2HG LYS 77 1.264 4.787 4.787 600 2HG LYS 77 1HG LYS 77 2.032 4.055 4.055 601 1HD LYS 77 2HD LYS 77 1.237 2.137 2.137 602 2HD LYS 77 1HD LYS 77 2.665 2.246 2.246 603 1HE LYS 77 2HE LYS 77 1.434 3.124 3.124 604 2HE LYS 77 1HE LYS 77 0.057 3.518 3.518 605 1HZ LYS 77 2HZ LYS 77 0.874 0.711 0.711 606 2HZ LYS 77 1HZ LYS 77 0.017 1.424 1.424 607 3HZ LYS 77 3HZ LYS 77 -0.662 1.363 1.363 608 H LYS 78 H LYS 78 6.564 3.742 3.742 609 HA LYS 78 HA LYS 78 7.981 5.647 5.647 610 1HB LYS 78 2HB LYS 78 8.335 2.749 2.749 611 2HB LYS 78 1HB LYS 78 9.751 3.689 3.689 612 1HG LYS 78 2HG LYS 78 7.431 4.041 4.041 613 2HG LYS 78 1HG LYS 78 8.125 2.418 2.418 614 1HD LYS 78 2HD LYS 78 10.082 4.606 4.606 615 2HD LYS 78 1HD LYS 78 9.015 4.469 4.469 616 1HE LYS 78 2HE LYS 78 10.121 2.689 2.689 617 2HE LYS 78 1HE LYS 78 9.948 1.870 1.870 618 1HZ LYS 78 2HZ LYS 78 11.867 3.372 3.372 619 2HZ LYS 78 1HZ LYS 78 12.133 3.624 3.624 620 3HZ LYS 78 3HZ LYS 78 12.226 2.062 2.062 621 H LYS 79 H LYS 79 7.751 4.489 4.489 622 HA LYS 79 HA LYS 79 10.355 5.580 5.580 623 1HB LYS 79 2HB LYS 79 9.404 3.346 3.346 624 2HB LYS 79 1HB LYS 79 8.376 4.329 4.329 625 1HG LYS 79 2HG LYS 79 11.112 5.191 5.191 626 2HG LYS 79 1HG LYS 79 10.980 3.461 3.461 627 1HD LYS 79 2HD LYS 79 9.511 3.785 3.785 628 2HD LYS 79 1HD LYS 79 9.125 5.432 5.432 629 1HE LYS 79 2HE LYS 79 11.960 4.909 4.909 630 2HE LYS 79 1HE LYS 79 10.858 4.816 4.816 631 1HZ LYS 79 1HZ LYS 79 10.011 7.064 7.064 632 2HZ LYS 79 3HZ LYS 79 11.585 7.120 7.120 633 3HZ LYS 79 2HZ LYS 79 11.336 7.024 7.024 634 H PHE 80 H PHE 80 6.915 6.150 6.150 635 HA PHE 80 HA PHE 80 7.619 8.649 8.649 636 1HB PHE 80 2HB PHE 80 4.941 7.287 7.287 637 2HB PHE 80 1HB PHE 80 5.614 8.517 8.517 638 HD1 PHE 80 HD1 PHE 80 5.628 4.971 4.971 639 HD2 PHE 80 HD2 PHE 80 7.184 7.939 7.939 640 HE1 PHE 80 HE1 PHE 80 6.447 3.206 3.206 641 HE2 PHE 80 HE2 PHE 80 8.006 6.179 6.179 642 HZ PHE 80 HZ PHE 80 7.638 3.809 3.809 643 H ALA 81 H ALA 81 6.124 7.311 7.311 644 HA ALA 81 HA ALA 81 5.271 8.321 8.321 645 1HB ALA 81 2HB ALA 81 6.873 10.250 10.250 646 2HB ALA 81 1HB ALA 81 5.318 11.057 11.057 647 3HB ALA 81 3HB ALA 81 5.802 10.476 10.476 648 H CYS 82 H CYS 82 3.692 7.415 7.415 649 HA CYS 82 HA CYS 82 1.382 9.227 9.227 650 1HB CYS 82 2HB CYS 82 2.030 6.971 6.971 651 2HB CYS 82 1HB CYS 82 0.529 7.890 7.890 652 HG CYS 82 HG CYS 82 1.898 9.989 9.989 653 H ASN 83 H ASN 83 -0.741 7.723 7.723 654 HA ASN 83 HA ASN 83 -0.716 5.862 5.862 655 1HB ASN 83 2HB ASN 83 -2.295 7.414 7.414 656 2HB ASN 83 1HB ASN 83 -2.707 7.815 7.815 657 1HD2 ASN 83 2HD2 ASN 83 -5.125 5.269 5.269 658 2HD2 ASN 83 1HD2 ASN 83 -3.948 6.189 6.189 659 H GLY 84 H GLY 84 -0.712 3.791 3.791 660 1HA GLY 84 2HA GLY 84 -2.149 3.004 3.004 661 2HA GLY 84 1HA GLY 84 -0.614 2.289 2.289 662 H THR 85 H THR 85 -3.641 1.470 1.470 663 HA THR 85 HA THR 85 -3.637 -0.166 -0.166 664 HB THR 85 HB THR 85 -6.020 -0.008 -0.008 665 HG1 THR 85 HG1 THR 85 -6.768 0.030 0.030 666 1HG2 THR 85 3HG2 THR 85 -4.408 2.289 2.289 667 2HG2 THR 85 2HG2 THR 85 -5.929 2.780 2.780 668 3HG2 THR 85 1HG2 THR 85 -5.936 1.954 1.954 669 H VAL 86 H VAL 86 -5.063 -2.144 -2.144 670 HA VAL 86 HA VAL 86 -4.735 -3.293 -3.293 671 HB VAL 86 HB VAL 86 -3.209 -4.302 -4.302 672 1HG1 VAL 86 2HG1 VAL 86 -5.240 -3.997 -3.997 673 2HG1 VAL 86 1HG1 VAL 86 -5.287 -5.731 -5.731 674 3HG1 VAL 86 3HG1 VAL 86 -3.798 -4.978 -4.978 675 1HG2 VAL 86 2HG2 VAL 86 -5.416 -5.956 -5.956 676 2HG2 VAL 86 1HG2 VAL 86 -3.745 -5.786 -5.786 677 3HG2 VAL 86 3HG2 VAL 86 -4.112 -6.710 -6.710 678 H ILE 87 H ILE 87 -6.700 -3.339 -3.339 679 HA ILE 87 HA ILE 87 -8.982 -4.235 -4.235 680 HB ILE 87 HB ILE 87 -10.433 -3.079 -3.079 681 1HG1 ILE 87 2HG1 ILE 87 -7.867 -1.842 -1.842 682 2HG1 ILE 87 1HG1 ILE 87 -8.734 -3.124 -3.124 683 1HG2 ILE 87 1HG2 ILE 87 -9.783 -2.016 -2.016 684 2HG2 ILE 87 3HG2 ILE 87 -8.393 -1.288 -1.288 685 3HG2 ILE 87 2HG2 ILE 87 -10.029 -0.837 -0.837 686 1HD1 ILE 87 2HD1 ILE 87 -10.724 -1.355 -1.355 687 2HD1 ILE 87 1HD1 ILE 87 -9.346 -0.257 -0.257 688 3HD1 ILE 87 3HD1 ILE 87 -9.648 -1.383 -1.383 689 H GLU 88 H GLU 88 -10.510 -5.651 -5.651 690 HA GLU 88 HA GLU 88 -9.377 -7.312 -7.312 691 1HB GLU 88 2HB GLU 88 -10.105 -8.216 -8.216 692 2HB GLU 88 1HB GLU 88 -11.734 -8.102 -8.102 693 1HG GLU 88 2HG GLU 88 -10.982 -9.521 -9.521 694 2HG GLU 88 1HG GLU 88 -9.453 -9.747 -9.747 695 H HIS 89 H HIS 89 -10.095 -5.552 -5.552 696 HA HIS 89 HA HIS 89 -12.734 -4.849 -4.849 697 1HB HIS 89 2HB HIS 89 -10.410 -4.101 -4.101 698 2HB HIS 89 1HB HIS 89 -10.936 -5.199 -5.199 699 HD1 HIS 89 HD1 HIS 89 -12.427 -4.217 -4.217 700 HD2 HIS 89 HD2 HIS 89 -12.430 -2.002 -2.002 701 HE1 HIS 89 HE1 HIS 89 -13.834 -2.190 -2.190 702 HE2 HIS 89 HE2 HIS 89 -13.884 -0.900 -0.900 703 HA PRO 90 HA PRO 90 -14.416 -8.635 -8.635 704 1HB PRO 90 2HB PRO 90 -16.812 -7.719 -7.719 705 2HB PRO 90 1HB PRO 90 -16.395 -7.866 -7.866 706 1HG PRO 90 2HG PRO 90 -16.397 -5.436 -5.436 707 2HG PRO 90 1HG PRO 90 -16.974 -5.615 -5.615 708 1HD PRO 90 2HD PRO 90 -14.538 -4.548 -4.548 709 2HD PRO 90 1HD PRO 90 -14.876 -5.347 -5.347 710 H GLU 91 H GLU 91 -13.914 -5.756 -5.756 711 HA GLU 91 HA GLU 91 -14.680 -6.886 -6.886 712 1HB GLU 91 2HB GLU 91 -14.161 -4.305 -4.305 713 2HB GLU 91 1HB GLU 91 -13.008 -4.576 -4.576 714 1HG GLU 91 2HG GLU 91 -15.056 -3.492 -3.492 715 2HG GLU 91 1HG GLU 91 -14.797 -5.059 -5.059 716 H TYR 92 H TYR 92 -11.826 -6.728 -6.728 717 HA TYR 92 HA TYR 92 -10.279 -7.910 -7.910 718 1HB TYR 92 2HB TYR 92 -8.905 -6.453 -6.453 719 2HB TYR 92 1HB TYR 92 -8.389 -6.694 -6.694 720 HD1 TYR 92 HD2 TYR 92 -10.521 -5.680 -5.680 721 HD2 TYR 92 HD1 TYR 92 -9.068 -4.186 -4.186 722 HE1 TYR 92 HE2 TYR 92 -11.352 -3.444 -3.444 723 HE2 TYR 92 HE1 TYR 92 -9.895 -1.943 -1.943 724 HH TYR 92 HH TYR 92 -12.098 -1.301 -1.301 725 H GLY 93 H GLY 93 -10.463 -7.668 -7.668 726 1HA GLY 93 2HA GLY 93 -10.654 -9.607 -9.607 727 2HA GLY 93 1HA GLY 93 -9.857 -10.542 -10.542 728 H GLU 94 H GLU 94 -9.452 -8.629 -8.629 729 HA GLU 94 HA GLU 94 -7.665 -8.220 -8.220 730 1HB GLU 94 2HB GLU 94 -7.351 -10.709 -10.709 731 2HB GLU 94 1HB GLU 94 -6.153 -10.259 -10.259 732 1HG GLU 94 2HG GLU 94 -5.165 -8.870 -8.870 733 2HG GLU 94 1HG GLU 94 -6.037 -10.074 -10.074 734 H VAL 95 H VAL 95 -7.377 -6.106 -6.106 735 HA VAL 95 HA VAL 95 -4.918 -5.764 -5.764 736 HB VAL 95 HB VAL 95 -5.959 -3.869 -3.869 737 1HG1 VAL 95 2HG1 VAL 95 -5.746 -6.351 -6.351 738 2HG1 VAL 95 1HG1 VAL 95 -7.505 -6.341 -6.341 739 3HG1 VAL 95 3HG1 VAL 95 -6.688 -5.213 -5.213 740 1HG2 VAL 95 2HG2 VAL 95 -7.994 -4.068 -4.068 741 2HG2 VAL 95 1HG2 VAL 95 -8.112 -3.255 -3.255 742 3HG2 VAL 95 3HG2 VAL 95 -8.674 -4.918 -4.918 743 H ILE 96 H ILE 96 -3.645 -4.116 -4.116 744 HA ILE 96 HA ILE 96 -4.268 -2.898 -2.898 745 HB ILE 96 HB ILE 96 -1.936 -2.833 -2.833 746 1HG1 ILE 96 2HG1 ILE 96 -2.458 -4.471 -4.471 747 2HG1 ILE 96 1HG1 ILE 96 -0.816 -3.888 -3.888 748 1HG2 ILE 96 3HG2 ILE 96 -2.373 -0.834 -0.834 749 2HG2 ILE 96 2HG2 ILE 96 -0.804 -1.173 -1.173 750 3HG2 ILE 96 1HG2 ILE 96 -2.106 -0.501 -0.501 751 1HD1 ILE 96 2HD1 ILE 96 -1.283 -2.143 -2.143 752 2HD1 ILE 96 1HD1 ILE 96 -2.814 -2.956 -2.956 753 3HD1 ILE 96 3HD1 ILE 96 -1.295 -3.804 -3.804 754 H GLN 97 H GLN 97 -4.340 -0.594 -0.594 755 HA GLN 97 HA GLN 97 -5.201 0.993 0.993 756 1HB GLN 97 2HB GLN 97 -6.941 0.021 0.021 757 2HB GLN 97 1HB GLN 97 -6.600 1.642 1.642 758 1HG GLN 97 2HG GLN 97 -7.084 2.263 2.263 759 2HG GLN 97 1HG GLN 97 -8.012 0.766 0.766 760 1HE2 GLN 97 2HE2 GLN 97 -9.944 2.258 2.258 761 2HE2 GLN 97 1HE2 GLN 97 -8.793 0.975 0.975 762 H LEU 98 H LEU 98 -3.566 2.419 2.419 763 HA LEU 98 HA LEU 98 -2.457 3.655 3.655 764 1HB LEU 98 2HB LEU 98 -1.696 4.250 4.250 765 2HB LEU 98 1HB LEU 98 -0.767 4.559 4.559 766 HG LEU 98 HG LEU 98 -1.435 1.730 1.730 767 1HD1 LEU 98 1HD1 LEU 98 -0.512 3.132 3.132 768 2HD1 LEU 98 3HD1 LEU 98 1.019 2.852 2.852 769 3HD1 LEU 98 2HD1 LEU 98 0.025 1.484 1.484 770 1HD2 LEU 98 1HD2 LEU 98 0.081 3.021 3.021 771 2HD2 LEU 98 3HD2 LEU 98 0.139 1.303 1.303 772 3HD2 LEU 98 2HD2 LEU 98 1.279 2.421 2.421 773 H GLN 99 H GLN 99 -2.323 5.979 5.979 774 HA GLN 99 HA GLN 99 -4.786 7.239 7.239 775 1HB GLN 99 2HB GLN 99 -3.003 7.544 7.544 776 2HB GLN 99 1HB GLN 99 -3.306 9.098 9.098 777 1HG GLN 99 2HG GLN 99 -5.688 7.436 7.436 778 2HG GLN 99 1HG GLN 99 -4.881 7.973 7.973 779 1HE2 GLN 99 2HE2 GLN 99 -7.127 10.495 10.495 780 2HE2 GLN 99 1HE2 GLN 99 -6.956 8.818 8.818 781 H GLY 100 H GLY 100 -4.901 9.173 9.173 782 1HA GLY 100 2HA GLY 100 -4.276 10.719 10.719 783 2HA GLY 100 1HA GLY 100 -2.660 10.643 10.643 784 H ASP 101 H ASP 101 -2.862 11.014 11.014 785 HA ASP 101 HA ASP 101 -2.869 8.563 8.563 786 1HB ASP 101 2HB ASP 101 -2.015 9.933 9.933 787 2HB ASP 101 1HB ASP 101 -3.438 10.643 10.643 788 H GLN 102 H GLN 102 -1.401 7.120 7.120 789 HA GLN 102 HA GLN 102 1.408 7.939 7.939 790 1HB GLN 102 2HB GLN 102 -0.270 5.942 5.942 791 2HB GLN 102 1HB GLN 102 1.332 5.372 5.372 792 1HG GLN 102 2HG GLN 102 0.955 6.433 6.433 793 2HG GLN 102 1HG GLN 102 2.393 6.866 6.866 794 1HE2 GLN 102 2HE2 GLN 102 -0.608 9.640 9.640 795 2HE2 GLN 102 1HE2 GLN 102 -0.942 7.968 7.968 796 H ARG 103 H ARG 103 -0.391 7.085 7.085 797 HA ARG 103 HA ARG 103 0.303 4.697 4.697 798 1HB ARG 103 2HB ARG 103 -0.386 7.347 7.347 799 2HB ARG 103 1HB ARG 103 0.469 6.297 6.297 800 1HG ARG 103 2HG ARG 103 -1.258 4.530 4.530 801 2HG ARG 103 1HG ARG 103 -2.169 5.821 5.821 802 1HD ARG 103 2HD ARG 103 -1.230 5.960 5.960 803 2HD ARG 103 1HD ARG 103 -2.806 5.330 5.330 804 HE ARG 103 HE ARG 103 -3.486 7.482 7.482 805 1HH1 ARG 103 2HH1 ARG 103 -0.133 7.466 7.466 806 2HH1 ARG 103 1HH1 ARG 103 -0.056 9.184 9.184 807 1HH2 ARG 103 1HH2 ARG 103 -3.379 9.738 9.738 808 2HH2 ARG 103 2HH2 ARG 103 -1.895 10.473 10.473 809 H LYS 104 H LYS 104 2.336 7.529 7.529 810 HA LYS 104 HA LYS 104 4.474 6.272 6.272 811 1HB LYS 104 2HB LYS 104 3.976 9.018 9.018 812 2HB LYS 104 1HB LYS 104 5.629 8.527 8.527 813 1HG LYS 104 2HG LYS 104 5.308 8.520 8.520 814 2HG LYS 104 1HG LYS 104 3.616 8.036 8.036 815 1HD LYS 104 2HD LYS 104 3.578 10.256 10.256 816 2HD LYS 104 1HD LYS 104 3.175 10.361 10.361 817 1HE LYS 104 2HE LYS 104 4.829 12.067 12.067 818 2HE LYS 104 1HE LYS 104 5.343 11.128 11.128 819 1HZ LYS 104 1HZ LYS 104 6.072 10.262 10.262 820 2HZ LYS 104 3HZ LYS 104 6.974 11.461 11.461 821 3HZ LYS 104 2HZ LYS 104 6.840 9.921 9.921 822 H ASN 105 H ASN 105 3.500 6.794 6.794 823 HA ASN 105 HA ASN 105 6.165 6.304 6.304 824 1HB ASN 105 2HB ASN 105 3.512 7.050 7.050 825 2HB ASN 105 1HB ASN 105 4.710 6.298 6.298 826 1HD2 ASN 105 2HD2 ASN 105 4.925 10.170 10.170 827 2HD2 ASN 105 1HD2 ASN 105 3.560 9.163 9.163 828 H ILE 106 H ILE 106 3.063 4.635 4.635 829 HA ILE 106 HA ILE 106 3.802 2.385 2.385 830 HB ILE 106 HB ILE 106 1.446 2.973 2.973 831 1HG1 ILE 106 2HG1 ILE 106 0.670 0.690 0.690 832 2HG1 ILE 106 1HG1 ILE 106 2.203 0.190 0.190 833 1HG2 ILE 106 2HG2 ILE 106 1.836 3.516 3.516 834 2HG2 ILE 106 1HG2 ILE 106 1.972 1.791 1.791 835 3HG2 ILE 106 3HG2 ILE 106 0.457 2.457 2.457 836 1HD1 ILE 106 1HD1 ILE 106 2.419 1.455 1.455 837 2HD1 ILE 106 3HD1 ILE 106 1.555 -0.082 -0.082 838 3HD1 ILE 106 2HD1 ILE 106 3.205 0.014 0.014 839 H CYS 107 H CYS 107 3.721 2.911 2.911 840 HA CYS 107 HA CYS 107 4.771 0.396 0.396 841 1HB CYS 107 2HB CYS 107 4.672 3.085 3.085 842 2HB CYS 107 1HB CYS 107 5.659 1.811 1.811 843 HG CYS 107 HG CYS 107 2.959 2.039 2.039 844 H GLN 108 H GLN 108 6.169 3.369 3.369 845 HA GLN 108 HA GLN 108 8.903 2.696 2.696 846 1HB GLN 108 2HB GLN 108 8.502 4.997 4.997 847 2HB GLN 108 1HB GLN 108 7.448 4.837 4.837 848 1HG GLN 108 2HG GLN 108 9.267 5.779 5.779 849 2HG GLN 108 1HG GLN 108 9.662 4.077 4.077 850 1HE2 GLN 108 2HE2 GLN 108 12.392 4.088 4.088 851 2HE2 GLN 108 1HE2 GLN 108 11.210 3.121 3.121 852 H PHE 109 H PHE 109 6.614 2.300 2.300 853 HA PHE 109 HA PHE 109 8.501 1.499 1.499 854 1HB PHE 109 2HB PHE 109 6.288 2.402 2.402 855 2HB PHE 109 1HB PHE 109 5.518 1.013 1.013 856 HD1 PHE 109 HD1 PHE 109 8.074 1.777 1.777 857 HD2 PHE 109 HD2 PHE 109 4.876 -0.731 -0.731 858 HE1 PHE 109 HE1 PHE 109 8.192 0.559 0.559 859 HE2 PHE 109 HE2 PHE 109 4.990 -1.956 -1.956 860 HZ PHE 109 HZ PHE 109 6.647 -1.309 -1.309 861 H LEU 110 H LEU 110 6.305 -0.205 -0.205 862 HA LEU 110 HA LEU 110 6.808 -2.815 -2.815 863 1HB LEU 110 2HB LEU 110 5.806 -1.572 -1.572 864 2HB LEU 110 1HB LEU 110 6.285 -3.257 -3.257 865 HG LEU 110 HG LEU 110 4.616 -3.892 -3.892 866 1HD1 LEU 110 2HD1 LEU 110 4.941 -1.941 -1.941 867 2HD1 LEU 110 1HD1 LEU 110 3.951 -0.985 -0.985 868 3HD1 LEU 110 3HD1 LEU 110 3.252 -2.373 -2.373 869 1HD2 LEU 110 2HD2 LEU 110 3.984 -3.072 -3.072 870 2HD2 LEU 110 1HD2 LEU 110 2.744 -3.566 -3.566 871 3HD2 LEU 110 3HD2 LEU 110 3.079 -1.854 -1.854 872 H VAL 111 H VAL 111 8.645 -0.670 -0.670 873 HA VAL 111 HA VAL 111 10.451 -2.802 -2.802 874 HB VAL 111 HB VAL 111 10.572 0.155 0.155 875 1HG1 VAL 111 2HG1 VAL 111 12.261 -2.164 -2.164 876 2HG1 VAL 111 1HG1 VAL 111 11.902 -1.012 -1.012 877 3HG1 VAL 111 3HG1 VAL 111 12.689 -0.464 -0.464 878 1HG2 VAL 111 3HG2 VAL 111 8.563 -1.296 -1.296 879 2HG2 VAL 111 2HG2 VAL 111 9.377 -0.204 -0.204 880 3HG2 VAL 111 1HG2 VAL 111 9.740 -1.930 -1.930 881 H GLU 112 H GLU 112 10.301 -0.113 -0.113 882 HA GLU 112 HA GLU 112 13.077 0.010 0.010 883 1HB GLU 112 2HB GLU 112 10.590 1.006 1.006 884 2HB GLU 112 1HB GLU 112 12.151 1.128 1.128 885 1HG GLU 112 2HG GLU 112 12.278 2.104 2.104 886 2HG GLU 112 1HG GLU 112 11.032 2.934 2.934 887 H ILE 113 H ILE 113 10.320 -1.608 -1.608 888 HA ILE 113 HA ILE 113 12.053 -2.879 -2.879 889 HB ILE 113 HB ILE 113 10.096 -3.678 -3.678 890 1HG1 ILE 113 2HG1 ILE 113 8.646 -2.990 -2.990 891 2HG1 ILE 113 1HG1 ILE 113 8.880 -4.590 -4.590 892 1HG2 ILE 113 2HG2 ILE 113 10.582 -1.147 -1.147 893 2HG2 ILE 113 1HG2 ILE 113 9.138 -1.047 -1.047 894 3HG2 ILE 113 3HG2 ILE 113 9.030 -1.696 -1.696 895 1HD1 ILE 113 3HD1 ILE 113 7.551 -2.915 -2.915 896 2HD1 ILE 113 2HD1 ILE 113 6.708 -2.858 -2.858 897 3HD1 ILE 113 1HD1 ILE 113 6.997 -4.407 -4.407 898 H GLY 114 H GLY 114 10.793 -3.559 -3.559 899 1HA GLY 114 2HA GLY 114 11.334 -5.389 -5.389 900 2HA GLY 114 1HA GLY 114 11.958 -6.217 -6.217 901 H LEU 115 H LEU 115 8.800 -4.734 -4.734 902 HA LEU 115 HA LEU 115 7.535 -7.186 -7.186 903 1HB LEU 115 2HB LEU 115 6.968 -4.536 -4.536 904 2HB LEU 115 1HB LEU 115 5.817 -4.976 -4.976 905 HG LEU 115 HG LEU 115 4.809 -6.631 -6.631 906 1HD1 LEU 115 3HD1 LEU 115 7.247 -6.230 -6.230 907 2HD1 LEU 115 2HD1 LEU 115 5.743 -6.649 -6.649 908 3HD1 LEU 115 1HD1 LEU 115 6.398 -7.715 -7.715 909 1HD2 LEU 115 2HD2 LEU 115 4.717 -3.937 -3.937 910 2HD2 LEU 115 1HD2 LEU 115 3.626 -5.147 -5.147 911 3HD2 LEU 115 3HD2 LEU 115 5.033 -4.615 -4.615 912 H ALA 116 H ALA 116 6.602 -4.991 -4.991 913 HA ALA 116 HA ALA 116 5.653 -7.286 -7.286 914 1HB ALA 116 1HB ALA 116 4.322 -5.155 -5.155 915 2HB ALA 116 3HB ALA 116 5.488 -4.394 -4.394 916 3HB ALA 116 2HB ALA 116 4.510 -5.747 -5.747 917 H LYS 117 H LYS 117 5.994 -6.459 -6.459 918 HA LYS 117 HA LYS 117 8.901 -6.163 -6.163 919 1HB LYS 117 2HB LYS 117 7.309 -8.487 -8.487 920 2HB LYS 117 1HB LYS 117 8.026 -7.840 -7.840 921 1HG LYS 117 2HG LYS 117 9.438 -9.541 -9.541 922 2HG LYS 117 1HG LYS 117 10.235 -7.967 -7.967 923 1HD LYS 117 2HD LYS 117 8.719 -8.328 -8.328 924 2HD LYS 117 1HD LYS 117 9.886 -9.633 -9.633 925 1HE LYS 117 2HE LYS 117 11.693 -8.081 -8.081 926 2HE LYS 117 1HE LYS 117 10.584 -6.712 -6.712 927 1HZ LYS 117 1HZ LYS 117 9.911 -7.231 -7.231 928 2HZ LYS 117 3HZ LYS 117 10.998 -8.527 -8.527 929 3HZ LYS 117 2HZ LYS 117 11.575 -6.943 -6.943 930 H ASP 118 H ASP 118 9.572 -5.179 -5.179 931 HA ASP 118 HA ASP 118 7.900 -3.166 -3.166 932 1HB ASP 118 2HB ASP 118 10.231 -2.825 -2.825 933 2HB ASP 118 1HB ASP 118 10.462 -4.347 -4.347 934 H ASP 119 H ASP 119 8.320 -6.463 -6.463 935 HA ASP 119 HA ASP 119 7.005 -6.153 -6.153 936 1HB ASP 119 2HB ASP 119 8.165 -8.376 -8.376 937 2HB ASP 119 1HB ASP 119 6.802 -8.814 -8.814 938 H GLN 120 H GLN 120 6.073 -6.469 -6.469 939 HA GLN 120 HA GLN 120 3.344 -7.252 -7.252 940 1HB GLN 120 2HB GLN 120 4.618 -7.060 -7.060 941 2HB GLN 120 1HB GLN 120 3.017 -7.690 -7.690 942 1HG GLN 120 2HG GLN 120 4.046 -9.501 -9.501 943 2HG GLN 120 1HG GLN 120 5.640 -8.884 -8.884 944 1HE2 GLN 120 2HE2 GLN 120 3.330 -10.357 -10.357 945 2HE2 GLN 120 1HE2 GLN 120 2.627 -9.397 -9.397 946 H LEU 121 H LEU 121 5.220 -4.540 -4.540 947 HA LEU 121 HA LEU 121 3.632 -2.921 -2.921 948 1HB LEU 121 2HB LEU 121 5.539 -2.370 -2.370 949 2HB LEU 121 1HB LEU 121 4.591 -1.048 -1.048 950 HG LEU 121 HG LEU 121 6.450 -2.804 -2.804 951 1HD1 LEU 121 3HD1 LEU 121 7.053 -0.672 -0.672 952 2HD1 LEU 121 2HD1 LEU 121 7.185 -0.036 -0.036 953 3HD1 LEU 121 1HD1 LEU 121 8.122 -1.454 -1.454 954 1HD2 LEU 121 2HD2 LEU 121 4.289 -1.267 -1.267 955 2HD2 LEU 121 1HD2 LEU 121 5.602 -1.898 -1.898 956 3HD2 LEU 121 3HD2 LEU 121 5.707 -0.271 -0.271 957 H LYS 122 H LYS 122 1.456 -3.176 -3.176 958 HA LYS 122 HA LYS 122 0.427 -2.180 -2.180 959 1HB LYS 122 2HB LYS 122 -0.461 -4.360 -4.360 960 2HB LYS 122 1HB LYS 122 -1.719 -3.426 -3.426 961 1HG LYS 122 2HG LYS 122 0.555 -4.690 -4.690 962 2HG LYS 122 1HG LYS 122 -0.962 -5.530 -5.530 963 1HD LYS 122 2HD LYS 122 -2.098 -4.333 -4.333 964 2HD LYS 122 1HD LYS 122 -1.250 -2.837 -2.837 965 1HE LYS 122 2HE LYS 122 0.765 -3.917 -3.917 966 2HE LYS 122 1HE LYS 122 -0.408 -5.055 -5.055 967 1HZ LYS 122 3HZ LYS 122 -1.653 -2.915 -2.915 968 2HZ LYS 122 2HZ LYS 122 -0.149 -2.166 -2.166 969 3HZ LYS 122 1HZ LYS 122 -0.329 -3.429 -3.429 970 H VAL 123 H VAL 123 0.548 0.009 0.009 971 HA VAL 123 HA VAL 123 -1.064 0.749 0.749 972 HB VAL 123 HB VAL 123 1.114 1.841 1.841 973 1HG1 VAL 123 3HG1 VAL 123 0.484 1.903 1.903 974 2HG1 VAL 123 2HG1 VAL 123 0.149 3.571 3.571 975 3HG1 VAL 123 1HG1 VAL 123 1.748 2.881 2.881 976 1HG2 VAL 123 1HG2 VAL 123 -1.434 3.286 3.286 977 2HG2 VAL 123 3HG2 VAL 123 -0.025 3.285 3.285 978 3HG2 VAL 123 2HG2 VAL 123 -0.037 4.288 4.288 979 H HIS 124 H HIS 124 -3.117 1.344 1.344 980 HA HIS 124 HA HIS 124 -4.138 2.487 2.487 981 1HB HIS 124 2HB HIS 124 -5.633 0.483 0.483 982 2HB HIS 124 1HB HIS 124 -6.186 1.200 1.200 983 HD1 HIS 124 HD1 HIS 124 -5.508 0.053 0.053 984 HD2 HIS 124 HD2 HIS 124 -3.456 -1.381 -1.381 985 HE1 HIS 124 HE1 HIS 124 -4.246 -1.963 -1.963 986 HE2 HIS 124 HE2 HIS 124 -3.096 -2.875 -2.875 987 H GLY 125 H GLY 125 -3.940 4.549 4.549 988 1HA GLY 125 2HA GLY 125 -5.270 5.126 5.126 989 2HA GLY 125 1HA GLY 125 -4.584 6.300 6.300 990 H PHE 126 HN PHE 126 -7.420 4.754 4.754 991 HA PHE 126 HA PHE 126 -9.610 4.758 4.758 992 1HB PHE 126 2HB PHE 126 -10.500 7.118 7.118 993 2HB PHE 126 1HB PHE 126 -9.567 6.678 6.678 994 HD1 PHE 126 HD2 PHE 126 -8.826 8.084 8.084 995 HD2 PHE 126 HD1 PHE 126 -8.249 8.328 8.328 996 HE1 PHE 126 HE2 PHE 126 -7.386 10.051 10.051 997 HE2 PHE 126 HE1 PHE 126 -6.807 10.297 10.297 998 HZ PHE 126 HZ PHE 126 -6.374 11.160 11.160 Start of MODEL 19 1 1H MET 1 1H MET 1 -32.351 -15.953 -15.953 2 2H MET 1 3H MET 1 -31.231 -16.802 -16.802 3 3H MET 1 2H MET 1 -31.231 -15.086 -15.086 4 HA MET 1 HA MET 1 -32.261 -15.691 -15.691 5 1HB MET 1 2HB MET 1 -32.620 -18.068 -18.068 6 2HB MET 1 1HB MET 1 -34.165 -17.450 -17.450 7 1HG MET 1 2HG MET 1 -33.919 -16.716 -16.716 8 2HG MET 1 1HG MET 1 -33.458 -18.412 -18.412 9 1HE MET 1 2HE MET 1 -35.435 -17.728 -17.728 10 2HE MET 1 1HE MET 1 -36.058 -19.341 -19.341 11 3HE MET 1 3HE MET 1 -37.137 -17.947 -17.947 12 H ARG 2 H ARG 2 -34.458 -15.850 -15.850 13 HA ARG 2 HA ARG 2 -35.744 -13.390 -13.390 14 1HB ARG 2 2HB ARG 2 -36.980 -15.769 -15.769 15 2HB ARG 2 1HB ARG 2 -37.286 -15.245 -15.245 16 1HG ARG 2 2HG ARG 2 -38.611 -13.487 -13.487 17 2HG ARG 2 1HG ARG 2 -37.865 -13.380 -13.380 18 1HD ARG 2 2HD ARG 2 -39.861 -14.336 -14.336 19 2HD ARG 2 1HD ARG 2 -38.905 -15.787 -15.787 20 HE ARG 2 HE ARG 2 -40.274 -16.266 -16.266 21 1HH1 ARG 2 2HH1 ARG 2 -40.614 -12.879 -12.879 22 2HH1 ARG 2 1HH1 ARG 2 -41.909 -12.627 -12.627 23 1HH2 ARG 2 1HH2 ARG 2 -41.979 -15.937 -15.937 24 2HH2 ARG 2 2HH2 ARG 2 -42.683 -14.362 -14.362 25 H GLY 3 H GLY 3 -34.237 -12.196 -12.196 26 1HA GLY 3 2HA GLY 3 -35.248 -11.292 -11.292 27 2HA GLY 3 1HA GLY 3 -34.116 -12.567 -12.567 28 H SER 4 H SER 4 -33.679 -10.027 -10.027 29 HA SER 4 HA SER 4 -31.665 -8.865 -8.865 30 1HB SER 4 2HB SER 4 -32.715 -7.755 -7.755 31 2HB SER 4 1HB SER 4 -31.756 -6.901 -6.901 32 HG SER 4 HG SER 4 -34.318 -6.913 -6.913 33 H HIS 5 H HIS 5 -29.620 -9.444 -9.444 34 HA HIS 5 HA HIS 5 -28.573 -9.873 -9.873 35 1HB HIS 5 2HB HIS 5 -29.164 -12.006 -12.006 36 2HB HIS 5 1HB HIS 5 -27.445 -11.753 -11.753 37 HD1 HIS 5 HD1 HIS 5 -27.833 -14.301 -14.301 38 HD2 HIS 5 HD2 HIS 5 -27.841 -10.834 -10.834 39 HE1 HIS 5 HE1 HIS 5 -27.326 -15.045 -15.045 40 HE2 HIS 5 HE2 HIS 5 -27.416 -12.941 -12.941 41 H HIS 6 H HIS 6 -26.013 -10.577 -10.577 42 HA HIS 6 HA HIS 6 -25.037 -8.195 -8.195 43 1HB HIS 6 2HB HIS 6 -24.402 -9.265 -9.265 44 2HB HIS 6 1HB HIS 6 -23.001 -9.592 -9.592 45 HD1 HIS 6 HD1 HIS 6 -24.065 -7.179 -7.179 46 HD2 HIS 6 HD2 HIS 6 -22.444 -6.947 -6.947 47 HE1 HIS 6 HE1 HIS 6 -23.117 -4.858 -4.858 48 HE2 HIS 6 HE2 HIS 6 -22.213 -4.714 -4.714 49 H HIS 7 H HIS 7 -25.839 -10.328 -10.328 50 HA HIS 7 HA HIS 7 -23.641 -12.027 -12.027 51 1HB HIS 7 2HB HIS 7 -26.338 -12.066 -12.066 52 2HB HIS 7 1HB HIS 7 -25.670 -11.621 -11.621 53 HD1 HIS 7 HD1 HIS 7 -26.571 -14.016 -14.016 54 HD2 HIS 7 HD2 HIS 7 -23.429 -14.043 -14.043 55 HE1 HIS 7 HE1 HIS 7 -25.627 -16.346 -16.346 56 HE2 HIS 7 HE2 HIS 7 -23.778 -16.361 -16.361 57 H HIS 8 H HIS 8 -25.227 -9.384 -9.384 58 HA HIS 8 HA HIS 8 -24.435 -7.899 -7.899 59 1HB HIS 8 2HB HIS 8 -22.616 -7.835 -7.835 60 2HB HIS 8 1HB HIS 8 -21.585 -8.347 -8.347 61 HD1 HIS 8 HD1 HIS 8 -20.618 -5.823 -5.823 62 HD2 HIS 8 HD2 HIS 8 -24.129 -6.034 -6.034 63 HE1 HIS 8 HE1 HIS 8 -20.900 -3.548 -3.548 64 HE2 HIS 8 HE2 HIS 8 -22.980 -3.729 -3.729 65 H HIS 9 H HIS 9 -22.287 -7.770 -7.770 66 HA HIS 9 HA HIS 9 -21.763 -10.383 -10.383 67 1HB HIS 9 2HB HIS 9 -23.696 -8.469 -8.469 68 2HB HIS 9 1HB HIS 9 -22.536 -9.152 -9.152 69 HD1 HIS 9 HD1 HIS 9 -22.534 -11.827 -11.827 70 HD2 HIS 9 HD2 HIS 9 -25.771 -10.118 -10.118 71 HE1 HIS 9 HE1 HIS 9 -24.291 -13.625 -13.625 72 HE2 HIS 9 HE2 HIS 9 -26.276 -12.536 -12.536 73 H HIS 10 H HIS 10 -21.730 -7.145 -7.145 74 HA HIS 10 HA HIS 10 -19.040 -7.461 -7.461 75 1HB HIS 10 2HB HIS 10 -21.035 -6.002 -6.002 76 2HB HIS 10 1HB HIS 10 -20.345 -4.775 -4.775 77 HD1 HIS 10 HD1 HIS 10 -18.718 -3.329 -3.329 78 HD2 HIS 10 HD2 HIS 10 -18.813 -7.145 -7.145 79 HE1 HIS 10 HE1 HIS 10 -17.085 -3.278 -3.278 80 HE2 HIS 10 HE2 HIS 10 -17.102 -5.620 -5.620 81 H THR 11 H THR 11 -17.669 -7.728 -7.728 82 HA THR 11 HA THR 11 -17.383 -5.391 -5.391 83 HB THR 11 HB THR 11 -16.422 -7.025 -7.025 84 HG1 THR 11 HG1 THR 11 -16.270 -9.031 -9.031 85 1HG2 THR 11 3HG2 THR 11 -19.211 -6.690 -6.690 86 2HG2 THR 11 2HG2 THR 11 -18.895 -8.219 -8.219 87 3HG2 THR 11 1HG2 THR 11 -18.432 -6.698 -6.698 88 H ASP 12 H ASP 12 -15.341 -8.253 -8.253 89 HA ASP 12 HA ASP 12 -13.136 -8.476 -8.476 90 1HB ASP 12 2HB ASP 12 -14.133 -6.395 -6.395 91 2HB ASP 12 1HB ASP 12 -12.385 -6.570 -6.570 92 HA PRO 13 HA PRO 13 -12.096 -4.908 -4.908 93 1HB PRO 13 2HB PRO 13 -11.572 -6.403 -6.403 94 2HB PRO 13 1HB PRO 13 -13.189 -5.799 -5.799 95 1HG PRO 13 2HG PRO 13 -12.022 -8.515 -8.515 96 2HG PRO 13 1HG PRO 13 -13.630 -8.077 -8.077 97 1HD PRO 13 2HD PRO 13 -13.182 -8.812 -8.812 98 2HD PRO 13 1HD PRO 13 -14.448 -7.655 -7.655 99 H MET 14 H MET 14 -10.673 -8.056 -8.056 100 HA MET 14 HA MET 14 -8.008 -7.043 -7.043 101 1HB MET 14 2HB MET 14 -8.687 -9.839 -9.839 102 2HB MET 14 1HB MET 14 -7.258 -9.295 -9.295 103 1HG MET 14 2HG MET 14 -9.203 -8.578 -8.578 104 2HG MET 14 1HG MET 14 -9.921 -10.010 -10.010 105 1HE MET 14 3HE MET 14 -9.940 -11.066 -11.066 106 2HE MET 14 2HE MET 14 -8.488 -11.257 -11.257 107 3HE MET 14 1HE MET 14 -9.121 -9.645 -9.645 108 H SER 15 H SER 15 -9.305 -5.942 -5.942 109 HA SER 15 HA SER 15 -7.795 -7.120 -7.120 110 1HB SER 15 2HB SER 15 -10.412 -6.688 -6.688 111 2HB SER 15 1HB SER 15 -9.906 -5.057 -5.057 112 HG SER 15 HG SER 15 -9.345 -5.760 -5.760 113 H ALA 16 H ALA 16 -8.210 -4.290 -4.290 114 HA ALA 16 HA ALA 16 -6.546 -2.667 -2.667 115 1HB ALA 16 3HB ALA 16 -8.159 -2.059 -2.059 116 2HB ALA 16 2HB ALA 16 -6.992 -0.908 -0.908 117 3HB ALA 16 1HB ALA 16 -8.359 -1.433 -1.433 118 H ILE 17 H ILE 17 -5.251 -4.890 -4.890 119 HA ILE 17 HA ILE 17 -3.215 -3.541 -3.541 120 HB ILE 17 HB ILE 17 -4.158 -6.326 -6.326 121 1HG1 ILE 17 2HG1 ILE 17 -4.763 -3.814 -3.814 122 2HG1 ILE 17 1HG1 ILE 17 -5.897 -4.533 -4.533 123 1HG2 ILE 17 3HG2 ILE 17 -2.118 -4.453 -4.453 124 2HG2 ILE 17 2HG2 ILE 17 -2.934 -5.558 -5.558 125 3HG2 ILE 17 1HG2 ILE 17 -2.026 -6.194 -6.194 126 1HD1 ILE 17 3HD1 ILE 17 -4.752 -6.055 -6.055 127 2HD1 ILE 17 2HD1 ILE 17 -6.229 -5.100 -5.100 128 3HD1 ILE 17 1HD1 ILE 17 -6.146 -6.466 -6.466 129 H GLN 18 H GLN 18 -1.766 -3.508 -3.508 130 HA GLN 18 HA GLN 18 -0.112 -4.274 -4.274 131 1HB GLN 18 2HB GLN 18 -0.051 -5.937 -5.937 132 2HB GLN 18 1HB GLN 18 -0.243 -7.084 -7.084 133 1HG GLN 18 2HG GLN 18 1.729 -6.128 -6.128 134 2HG GLN 18 1HG GLN 18 1.930 -5.019 -5.019 135 1HE2 GLN 18 2HE2 GLN 18 2.672 -7.831 -7.831 136 2HE2 GLN 18 1HE2 GLN 18 1.496 -6.569 -6.569 137 H ASN 19 H ASN 19 -0.261 -4.688 -4.688 138 HA ASN 19 HA ASN 19 -2.067 -6.817 -6.817 139 1HB ASN 19 2HB ASN 19 -2.799 -4.198 -4.198 140 2HB ASN 19 1HB ASN 19 -2.003 -4.428 -4.428 141 1HD2 ASN 19 2HD2 ASN 19 -5.334 -5.295 -5.295 142 2HD2 ASN 19 1HD2 ASN 19 -4.255 -3.956 -3.956 143 H LEU 20 H LEU 20 -0.731 -8.227 -8.227 144 HA LEU 20 HA LEU 20 1.291 -7.206 -7.206 145 1HB LEU 20 2HB LEU 20 1.738 -8.687 -8.687 146 2HB LEU 20 1HB LEU 20 1.803 -9.885 -9.885 147 HG LEU 20 HG LEU 20 4.026 -9.045 -9.045 148 1HD1 LEU 20 2HD1 LEU 20 2.750 -8.525 -8.525 149 2HD1 LEU 20 1HD1 LEU 20 4.378 -7.895 -7.895 150 3HD1 LEU 20 3HD1 LEU 20 4.064 -9.622 -9.622 151 1HD2 LEU 20 3HD2 LEU 20 2.649 -6.444 -6.444 152 2HD2 LEU 20 2HD2 LEU 20 4.027 -6.939 -6.939 153 3HD2 LEU 20 1HD2 LEU 20 4.260 -6.513 -6.513 154 H HIS 21 H HIS 21 0.716 -7.629 -7.629 155 HA HIS 21 HA HIS 21 -1.244 -9.589 -9.589 156 1HB HIS 21 2HB HIS 21 0.604 -7.954 -7.954 157 2HB HIS 21 1HB HIS 21 -0.715 -8.952 -8.952 158 HD1 HIS 21 HD1 HIS 21 -2.007 -7.562 -7.562 159 HD2 HIS 21 HD2 HIS 21 -1.279 -6.055 -6.055 160 HE1 HIS 21 HE1 HIS 21 -3.450 -5.513 -5.513 161 HE2 HIS 21 HE2 HIS 21 -2.932 -4.573 -4.573 162 H SER 22 H SER 22 -0.354 -11.542 -11.542 163 HA SER 22 HA SER 22 1.378 -12.853 -12.853 164 1HB SER 22 2HB SER 22 2.197 -12.259 -12.259 165 2HB SER 22 1HB SER 22 2.680 -13.800 -13.800 166 HG SER 22 HG SER 22 3.376 -11.187 -11.187 167 H PHE 23 H PHE 23 -0.183 -14.306 -14.306 168 HA PHE 23 HA PHE 23 -1.645 -15.716 -15.716 169 1HB PHE 23 2HB PHE 23 -1.852 -15.436 -15.436 170 2HB PHE 23 1HB PHE 23 -2.433 -16.948 -16.948 171 HD1 PHE 23 HD1 PHE 23 -3.846 -16.450 -16.450 172 HD2 PHE 23 HD2 PHE 23 -3.478 -13.881 -13.881 173 HE1 PHE 23 HE1 PHE 23 -5.966 -15.358 -15.358 174 HE2 PHE 23 HE2 PHE 23 -5.597 -12.785 -12.785 175 HZ PHE 23 HZ PHE 23 -6.845 -13.523 -13.523 176 H ASP 24 H ASP 24 -1.267 -17.744 -17.744 177 HA ASP 24 HA ASP 24 -0.199 -19.720 -19.720 178 1HB ASP 24 2HB ASP 24 0.087 -19.513 -19.513 179 2HB ASP 24 1HB ASP 24 0.595 -20.929 -20.929 180 HA PRO 25 HA PRO 25 3.869 -17.327 -17.327 181 1HB PRO 25 2HB PRO 25 3.723 -18.159 -18.159 182 2HB PRO 25 1HB PRO 25 4.144 -16.590 -16.590 183 1HG PRO 25 2HG PRO 25 1.791 -16.984 -16.984 184 2HG PRO 25 1HG PRO 25 1.935 -15.946 -15.946 185 1HD PRO 25 2HD PRO 25 0.887 -18.736 -18.736 186 2HD PRO 25 1HD PRO 25 0.312 -17.392 -17.392 187 H PHE 26 H PHE 26 2.976 -20.278 -20.278 188 HA PHE 26 HA PHE 26 5.561 -21.448 -21.448 189 1HB PHE 26 2HB PHE 26 5.133 -23.046 -23.046 190 2HB PHE 26 1HB PHE 26 5.457 -21.377 -21.377 191 HD1 PHE 26 HD1 PHE 26 3.549 -19.900 -19.900 192 HD2 PHE 26 HD2 PHE 26 3.111 -24.099 -24.099 193 HE1 PHE 26 HE1 PHE 26 1.455 -19.843 -19.843 194 HE2 PHE 26 HE2 PHE 26 1.015 -24.050 -24.050 195 HZ PHE 26 HZ PHE 26 0.184 -21.920 -21.920 196 H ALA 27 H ALA 27 2.101 -21.836 -21.836 197 HA ALA 27 HA ALA 27 0.723 -23.251 -23.251 198 1HB ALA 27 2HB ALA 27 3.210 -23.288 -23.288 199 2HB ALA 27 1HB ALA 27 2.137 -24.661 -24.661 200 3HB ALA 27 3HB ALA 27 1.545 -23.018 -23.018 201 H ASP 28 H ASP 28 0.356 -24.504 -24.504 202 HA ASP 28 HA ASP 28 0.922 -27.260 -27.260 203 1HB ASP 28 2HB ASP 28 3.022 -25.967 -25.967 204 2HB ASP 28 1HB ASP 28 2.080 -26.430 -26.430 205 H ALA 29 H ALA 29 0.585 -28.131 -28.131 206 HA ALA 29 HA ALA 29 -2.161 -28.043 -28.043 207 1HB ALA 29 2HB ALA 29 0.127 -28.917 -28.917 208 2HB ALA 29 1HB ALA 29 -1.393 -28.642 -28.642 209 3HB ALA 29 3HB ALA 29 -1.325 -29.791 -29.791 210 H SER 30 H SER 30 -2.957 -27.415 -27.415 211 HA SER 30 HA SER 30 -3.658 -25.727 -25.727 212 1HB SER 30 2HB SER 30 -1.093 -24.297 -24.297 213 2HB SER 30 1HB SER 30 -2.072 -24.088 -24.088 214 HG SER 30 HG SER 30 -0.317 -26.153 -26.153 215 H LYS 31 H LYS 31 -4.762 -23.754 -23.754 216 HA LYS 31 HA LYS 31 -5.072 -22.704 -22.704 217 1HB LYS 31 2HB LYS 31 -7.238 -21.851 -21.851 218 2HB LYS 31 1HB LYS 31 -7.106 -23.579 -23.579 219 1HG LYS 31 2HG LYS 31 -6.434 -22.982 -22.982 220 2HG LYS 31 1HG LYS 31 -6.955 -21.338 -21.338 221 1HD LYS 31 2HD LYS 31 -8.715 -23.757 -23.757 222 2HD LYS 31 1HD LYS 31 -8.678 -22.791 -22.791 223 1HE LYS 31 2HE LYS 31 -9.098 -20.798 -20.798 224 2HE LYS 31 1HE LYS 31 -9.653 -22.053 -22.053 225 1HZ LYS 31 1HZ LYS 31 -10.983 -22.741 -22.741 226 2HZ LYS 31 3HZ LYS 31 -10.866 -21.076 -21.076 227 3HZ LYS 31 2HZ LYS 31 -11.596 -21.648 -21.648 228 H GLY 32 H GLY 32 -4.578 -21.691 -21.691 229 1HA GLY 32 2HA GLY 32 -4.332 -18.902 -18.902 230 2HA GLY 32 1HA GLY 32 -4.204 -19.545 -19.545 231 H ASP 33 H ASP 33 -2.450 -17.624 -17.624 232 HA ASP 33 HA ASP 33 0.043 -19.137 -19.137 233 1HB ASP 33 2HB ASP 33 -0.502 -16.222 -16.222 234 2HB ASP 33 1HB ASP 33 0.993 -17.091 -17.091 235 H ASP 34 H ASP 34 -1.279 -18.728 -18.728 236 HA ASP 34 HA ASP 34 0.207 -16.697 -16.697 237 1HB ASP 34 2HB ASP 34 -0.905 -17.632 -17.632 238 2HB ASP 34 1HB ASP 34 -2.043 -17.209 -17.209 239 H LEU 35 H LEU 35 2.358 -17.407 -17.407 240 HA LEU 35 HA LEU 35 3.337 -19.953 -19.953 241 1HB LEU 35 2HB LEU 35 4.313 -17.710 -17.710 242 2HB LEU 35 1HB LEU 35 5.421 -17.979 -17.979 243 HG LEU 35 HG LEU 35 6.206 -19.151 -19.151 244 1HD1 LEU 35 1HD1 LEU 35 6.480 -20.184 -20.184 245 2HD1 LEU 35 3HD1 LEU 35 5.051 -21.163 -21.163 246 3HD1 LEU 35 2HD1 LEU 35 6.492 -21.338 -21.338 247 1HD2 LEU 35 1HD2 LEU 35 3.795 -19.372 -19.372 248 2HD2 LEU 35 3HD2 LEU 35 4.963 -20.643 -20.643 249 3HD2 LEU 35 2HD2 LEU 35 3.765 -20.881 -20.881 250 H LEU 36 H LEU 36 4.795 -20.430 -20.430 251 HA LEU 36 HA LEU 36 5.483 -20.433 -20.433 252 1HB LEU 36 2HB LEU 36 5.144 -17.442 -17.442 253 2HB LEU 36 1HB LEU 36 6.219 -18.391 -18.391 254 HG LEU 36 HG LEU 36 6.502 -18.147 -18.147 255 1HD1 LEU 36 1HD1 LEU 36 7.560 -16.496 -16.496 256 2HD1 LEU 36 3HD1 LEU 36 8.582 -16.787 -16.787 257 3HD1 LEU 36 2HD1 LEU 36 7.012 -16.007 -16.007 258 1HD2 LEU 36 1HD2 LEU 36 7.925 -19.618 -19.618 259 2HD2 LEU 36 3HD2 LEU 36 7.710 -20.013 -20.013 260 3HD2 LEU 36 2HD2 LEU 36 8.925 -18.830 -18.830 261 HA PRO 37 HA PRO 37 1.786 -20.468 -20.468 262 1HB PRO 37 2HB PRO 37 2.805 -20.548 -20.548 263 2HB PRO 37 1HB PRO 37 2.862 -21.930 -21.930 264 1HG PRO 37 2HG PRO 37 4.998 -19.933 -19.933 265 2HG PRO 37 1HG PRO 37 5.126 -21.693 -21.693 266 1HD PRO 37 2HD PRO 37 5.856 -19.982 -19.982 267 2HD PRO 37 1HD PRO 37 5.193 -21.595 -21.595 268 H ALA 38 H ALA 38 0.818 -18.483 -18.483 269 HA ALA 38 HA ALA 38 1.755 -16.039 -16.039 270 1HB ALA 38 1HB ALA 38 -0.621 -16.970 -16.970 271 2HB ALA 38 3HB ALA 38 -0.902 -15.595 -15.595 272 3HB ALA 38 2HB ALA 38 0.323 -15.493 -15.493 273 H GLY 39 H GLY 39 2.131 -16.124 -16.124 274 1HA GLY 39 2HA GLY 39 -0.198 -16.725 -16.725 275 2HA GLY 39 1HA GLY 39 1.476 -16.929 -16.929 276 H THR 40 H THR 40 -1.071 -14.612 -14.612 277 HA THR 40 HA THR 40 0.522 -12.552 -12.552 278 HB THR 40 HB THR 40 -1.268 -11.012 -11.012 279 HG1 THR 40 HG1 THR 40 -2.582 -12.475 -12.475 280 1HG2 THR 40 2HG2 THR 40 1.264 -11.345 -11.345 281 2HG2 THR 40 1HG2 THR 40 0.624 -12.154 -12.154 282 3HG2 THR 40 3HG2 THR 40 0.201 -10.474 -10.474 283 H GLU 41 H GLU 41 -0.306 -13.761 -13.761 284 HA GLU 41 HA GLU 41 -2.858 -12.564 -12.564 285 1HB GLU 41 2HB GLU 41 -2.013 -15.435 -15.435 286 2HB GLU 41 1HB GLU 41 -3.285 -14.706 -14.706 287 1HG GLU 41 2HG GLU 41 -4.640 -15.453 -15.453 288 2HG GLU 41 1HG GLU 41 -4.088 -14.039 -14.039 289 H ASP 42 H ASP 42 0.393 -12.894 -12.894 290 HA ASP 42 HA ASP 42 0.073 -12.608 -12.608 291 1HB ASP 42 2HB ASP 42 2.152 -13.719 -13.719 292 2HB ASP 42 1HB ASP 42 2.789 -12.649 -12.649 293 H TYR 43 H TYR 43 -0.749 -10.441 -10.441 294 HA TYR 43 HA TYR 43 1.365 -8.468 -8.468 295 1HB TYR 43 2HB TYR 43 -1.617 -8.229 -8.229 296 2HB TYR 43 1HB TYR 43 -0.480 -6.894 -6.894 297 HD1 TYR 43 HD1 TYR 43 1.458 -7.240 -7.240 298 HD2 TYR 43 HD2 TYR 43 -2.113 -9.544 -9.544 299 HE1 TYR 43 HE1 TYR 43 1.870 -7.859 -7.859 300 HE2 TYR 43 HE2 TYR 43 -1.712 -10.181 -10.181 301 HH TYR 43 HH TYR 43 -0.002 -8.717 -8.717 302 H ILE 44 H ILE 44 1.070 -6.385 -6.385 303 HA ILE 44 HA ILE 44 -0.187 -6.730 -6.730 304 HB ILE 44 HB ILE 44 2.535 -5.547 -5.547 305 1HG1 ILE 44 2HG1 ILE 44 2.390 -8.030 -8.030 306 2HG1 ILE 44 1HG1 ILE 44 3.376 -7.326 -7.326 307 1HG2 ILE 44 1HG2 ILE 44 0.709 -5.286 -5.286 308 2HG2 ILE 44 3HG2 ILE 44 2.432 -5.486 -5.486 309 3HG2 ILE 44 2HG2 ILE 44 1.872 -4.135 -4.135 310 1HD1 ILE 44 3HD1 ILE 44 0.896 -7.436 -7.436 311 2HD1 ILE 44 2HD1 ILE 44 0.938 -8.898 -8.898 312 3HD1 ILE 44 1HD1 ILE 44 2.193 -8.610 -8.610 313 H HIS 45 H HIS 45 -1.927 -5.604 -5.604 314 HA HIS 45 HA HIS 45 -1.748 -3.084 -3.084 315 1HB HIS 45 2HB HIS 45 -3.824 -4.870 -4.870 316 2HB HIS 45 1HB HIS 45 -4.246 -3.194 -3.194 317 HD1 HIS 45 HD1 HIS 45 -2.890 -5.150 -5.150 318 HD2 HIS 45 HD2 HIS 45 -5.525 -2.071 -2.071 319 HE1 HIS 45 HE1 HIS 45 -3.926 -4.487 -4.487 320 HE2 HIS 45 HE2 HIS 45 -5.583 -2.678 -2.678 321 H ILE 46 H ILE 46 -2.399 -1.055 -1.055 322 HA ILE 46 HA ILE 46 -2.525 -0.507 -0.507 323 HB ILE 46 HB ILE 46 -0.247 0.359 0.359 324 1HG1 ILE 46 2HG1 ILE 46 0.739 0.239 0.239 325 2HG1 ILE 46 1HG1 ILE 46 -0.691 -0.743 -0.743 326 1HG2 ILE 46 1HG2 ILE 46 -1.689 2.041 2.041 327 2HG2 ILE 46 3HG2 ILE 46 0.074 2.135 2.135 328 3HG2 ILE 46 2HG2 ILE 46 -0.876 2.508 2.508 329 1HD1 ILE 46 2HD1 ILE 46 0.618 -1.586 -1.586 330 2HD1 ILE 46 1HD1 ILE 46 1.764 -1.543 -1.543 331 3HD1 ILE 46 3HD1 ILE 46 0.280 -2.489 -2.489 332 H ARG 47 H ARG 47 -4.512 0.388 0.388 333 HA ARG 47 HA ARG 47 -4.875 2.610 2.610 334 1HB ARG 47 2HB ARG 47 -6.592 0.307 0.307 335 2HB ARG 47 1HB ARG 47 -7.423 1.852 1.852 336 1HG ARG 47 2HG ARG 47 -6.193 2.114 2.114 337 2HG ARG 47 1HG ARG 47 -5.914 0.376 0.376 338 1HD ARG 47 2HD ARG 47 -8.609 0.696 0.696 339 2HD ARG 47 1HD ARG 47 -8.315 1.821 1.821 340 HE ARG 47 HE ARG 47 -7.183 -0.738 -0.738 341 1HH1 ARG 47 2HH1 ARG 47 -10.187 1.037 1.037 342 2HH1 ARG 47 1HH1 ARG 47 -10.917 0.036 0.036 343 1HH2 ARG 47 1HH2 ARG 47 -8.142 -2.057 -2.057 344 2HH2 ARG 47 2HH2 ARG 47 -9.756 -1.720 -1.720 345 H ILE 48 H ILE 48 -5.669 4.488 4.488 346 HA ILE 48 HA ILE 48 -5.822 4.894 4.894 347 HB ILE 48 HB ILE 48 -5.882 6.806 6.806 348 1HG1 ILE 48 2HG1 ILE 48 -3.864 6.516 6.516 349 2HG1 ILE 48 1HG1 ILE 48 -3.701 5.749 5.749 350 1HG2 ILE 48 2HG2 ILE 48 -6.108 7.432 7.432 351 2HG2 ILE 48 1HG2 ILE 48 -5.775 8.621 8.621 352 3HG2 ILE 48 3HG2 ILE 48 -7.309 7.750 7.750 353 1HD1 ILE 48 3HD1 ILE 48 -4.007 8.715 8.715 354 2HD1 ILE 48 2HD1 ILE 48 -2.442 7.897 7.897 355 3HD1 ILE 48 1HD1 ILE 48 -3.506 7.836 7.836 356 H GLN 49 H GLN 49 -7.589 6.072 6.072 357 HA GLN 49 HA GLN 49 -10.129 5.992 5.992 358 1HB GLN 49 2HB GLN 49 -11.281 4.941 4.941 359 2HB GLN 49 1HB GLN 49 -10.012 3.889 3.889 360 1HG GLN 49 2HG GLN 49 -9.133 3.754 3.754 361 2HG GLN 49 1HG GLN 49 -8.907 5.502 5.502 362 1HE2 GLN 49 2HE2 GLN 49 -11.936 3.734 3.734 363 2HE2 GLN 49 1HE2 GLN 49 -10.964 2.856 2.856 364 H GLN 50 H GLN 50 -9.836 8.268 8.268 365 HA GLN 50 HA GLN 50 -9.753 9.738 9.738 366 1HB GLN 50 2HB GLN 50 -8.802 10.264 10.264 367 2HB GLN 50 1HB GLN 50 -10.242 11.270 11.270 368 1HG GLN 50 2HG GLN 50 -9.434 12.391 12.391 369 2HG GLN 50 1HG GLN 50 -8.064 11.289 11.289 370 1HE2 GLN 50 2HE2 GLN 50 -6.227 13.786 13.786 371 2HE2 GLN 50 1HE2 GLN 50 -6.541 12.900 12.900 372 H ARG 51 H ARG 51 -11.648 9.567 9.567 373 HA ARG 51 HA ARG 51 -14.191 9.753 9.753 374 1HB ARG 51 2HB ARG 51 -13.467 9.812 9.812 375 2HB ARG 51 1HB ARG 51 -15.109 9.743 9.743 376 1HG ARG 51 2HG ARG 51 -14.835 7.569 7.569 377 2HG ARG 51 1HG ARG 51 -13.075 7.663 7.663 378 1HD ARG 51 2HD ARG 51 -13.289 6.568 6.568 379 2HD ARG 51 1HD ARG 51 -13.825 8.113 8.113 380 HE ARG 51 HE ARG 51 -16.010 6.732 6.732 381 1HH1 ARG 51 2HH1 ARG 51 -13.892 6.664 6.664 382 2HH1 ARG 51 1HH1 ARG 51 -15.058 5.907 5.907 383 1HH2 ARG 51 1HH2 ARG 51 -17.547 5.736 5.736 384 2HH2 ARG 51 2HH2 ARG 51 -17.134 5.380 5.380 385 H ASN 52 H ASN 52 -15.109 11.582 11.582 386 HA ASN 52 HA ASN 52 -15.803 13.753 13.753 387 1HB ASN 52 2HB ASN 52 -15.905 13.321 13.321 388 2HB ASN 52 1HB ASN 52 -14.488 14.368 14.368 389 1HD2 ASN 52 2HD2 ASN 52 -17.238 16.633 16.633 390 2HD2 ASN 52 1HD2 ASN 52 -16.334 15.422 15.422 391 H GLY 53 H GLY 53 -13.044 12.748 12.748 392 1HA GLY 53 2HA GLY 53 -11.184 13.637 13.637 393 2HA GLY 53 1HA GLY 53 -12.013 15.185 15.185 394 H ARG 54 H ARG 54 -11.387 13.421 13.421 395 HA ARG 54 HA ARG 54 -9.056 15.088 15.088 396 1HB ARG 54 2HB ARG 54 -11.434 14.949 14.949 397 2HB ARG 54 1HB ARG 54 -9.947 15.848 15.848 398 1HG ARG 54 2HG ARG 54 -10.837 16.810 16.810 399 2HG ARG 54 1HG ARG 54 -12.323 16.576 16.576 400 1HD ARG 54 2HD ARG 54 -11.080 17.790 17.790 401 2HD ARG 54 1HD ARG 54 -9.958 18.305 18.305 402 HE ARG 54 HE ARG 54 -12.691 18.832 18.832 403 1HH1 ARG 54 2HH1 ARG 54 -9.921 20.030 20.030 404 2HH1 ARG 54 1HH1 ARG 54 -10.443 21.681 21.681 405 1HH2 ARG 54 1HH2 ARG 54 -13.379 21.003 21.003 406 2HH2 ARG 54 2HH2 ARG 54 -12.407 22.233 22.233 407 H LYS 55 H LYS 55 -11.254 12.864 12.864 408 HA LYS 55 HA LYS 55 -9.244 11.708 11.708 409 1HB LYS 55 2HB LYS 55 -11.887 11.611 11.611 410 2HB LYS 55 1HB LYS 55 -11.648 10.112 10.112 411 1HG LYS 55 2HG LYS 55 -11.790 9.627 9.627 412 2HG LYS 55 1HG LYS 55 -10.139 9.333 9.333 413 1HD LYS 55 2HD LYS 55 -10.201 10.495 10.495 414 2HD LYS 55 1HD LYS 55 -9.431 11.472 11.472 415 1HE LYS 55 2HE LYS 55 -11.232 12.929 12.929 416 2HE LYS 55 1HE LYS 55 -12.354 11.771 11.771 417 1HZ LYS 55 1HZ LYS 55 -10.382 12.285 12.285 418 2HZ LYS 55 3HZ LYS 55 -10.862 13.785 13.785 419 3HZ LYS 55 2HZ LYS 55 -12.011 12.739 12.739 420 H THR 56 H THR 56 -7.574 11.389 11.389 421 HA THR 56 HA THR 56 -7.922 9.349 9.349 422 HB THR 56 HB THR 56 -5.171 10.074 10.074 423 HG1 THR 56 HG1 THR 56 -5.665 12.067 12.067 424 1HG2 THR 56 2HG2 THR 56 -6.835 9.746 9.746 425 2HG2 THR 56 1HG2 THR 56 -5.730 11.115 11.115 426 3HG2 THR 56 3HG2 THR 56 -5.100 9.498 9.498 427 H LEU 57 H LEU 57 -7.527 7.235 7.235 428 HA LEU 57 HA LEU 57 -5.825 6.275 6.275 429 1HB LEU 57 2HB LEU 57 -8.697 5.966 5.966 430 2HB LEU 57 1HB LEU 57 -7.898 4.406 4.406 431 HG LEU 57 HG LEU 57 -7.224 6.491 6.491 432 1HD1 LEU 57 2HD1 LEU 57 -9.779 5.338 5.338 433 2HD1 LEU 57 1HD1 LEU 57 -9.032 4.550 4.550 434 3HD1 LEU 57 3HD1 LEU 57 -9.189 6.307 6.307 435 1HD2 LEU 57 3HD2 LEU 57 -6.255 3.939 3.939 436 2HD2 LEU 57 2HD2 LEU 57 -5.937 4.893 4.893 437 3HD2 LEU 57 1HD2 LEU 57 -7.266 3.734 3.734 438 H THR 58 H THR 58 -4.245 5.297 5.297 439 HA THR 58 HA THR 58 -4.703 4.027 4.027 440 HB THR 58 HB THR 58 -2.187 3.479 3.479 441 HG1 THR 58 HG1 THR 58 -3.071 6.081 6.081 442 1HG2 THR 58 3HG2 THR 58 -2.602 3.024 3.024 443 2HG2 THR 58 2HG2 THR 58 -2.550 4.772 4.772 444 3HG2 THR 58 1HG2 THR 58 -1.139 3.923 3.923 445 H THR 59 H THR 59 -5.031 1.921 1.921 446 HA THR 59 HA THR 59 -4.840 0.010 0.010 447 HB THR 59 HB THR 59 -6.685 -1.094 -1.094 448 HG1 THR 59 HG1 THR 59 -7.566 0.486 0.486 449 1HG2 THR 59 3HG2 THR 59 -6.683 -0.017 -0.017 450 2HG2 THR 59 2HG2 THR 59 -8.223 0.272 0.272 451 3HG2 THR 59 1HG2 THR 59 -7.593 -1.370 -1.370 452 H VAL 60 H VAL 60 -3.659 -1.765 -1.765 453 HA VAL 60 HA VAL 60 -2.485 -2.160 -2.160 454 HB VAL 60 HB VAL 60 -1.701 -3.406 -3.406 455 1HG1 VAL 60 1HG1 VAL 60 -0.540 -3.539 -3.539 456 2HG1 VAL 60 3HG1 VAL 60 0.452 -3.822 -3.822 457 3HG1 VAL 60 2HG1 VAL 60 -0.935 -4.859 -4.859 458 1HG2 VAL 60 1HG2 VAL 60 -1.030 -0.848 -0.848 459 2HG2 VAL 60 3HG2 VAL 60 -0.944 -1.329 -1.329 460 3HG2 VAL 60 2HG2 VAL 60 0.352 -1.777 -1.777 461 H GLN 61 H GLN 61 -3.038 -3.812 -3.812 462 HA GLN 61 HA GLN 61 -4.704 -5.958 -5.958 463 1HB GLN 61 2HB GLN 61 -4.937 -4.334 -4.334 464 2HB GLN 61 1HB GLN 61 -5.080 -6.055 -6.055 465 1HG GLN 61 2HG GLN 61 -7.206 -5.877 -5.877 466 2HG GLN 61 1HG GLN 61 -6.667 -5.643 -5.643 467 1HE2 GLN 61 2HE2 GLN 61 -6.721 -1.958 -1.958 468 2HE2 GLN 61 1HE2 GLN 61 -5.456 -3.109 -3.109 469 H GLY 62 H GLY 62 -2.776 -7.153 -7.153 470 1HA GLY 62 2HA GLY 62 -2.134 -9.202 -9.202 471 2HA GLY 62 1HA GLY 62 -0.925 -7.968 -7.968 472 H ILE 63 H ILE 63 -0.848 -7.025 -7.025 473 HA ILE 63 HA ILE 63 1.227 -8.554 -8.554 474 HB ILE 63 HB ILE 63 -0.663 -6.721 -6.721 475 1HG1 ILE 63 2HG1 ILE 63 0.659 -5.747 -5.747 476 2HG1 ILE 63 1HG1 ILE 63 1.068 -5.052 -5.052 477 1HG2 ILE 63 3HG2 ILE 63 1.317 -8.471 -8.471 478 2HG2 ILE 63 2HG2 ILE 63 1.854 -6.805 -6.805 479 3HG2 ILE 63 1HG2 ILE 63 0.290 -7.313 -7.313 480 1HD1 ILE 63 2HD1 ILE 63 2.633 -7.174 -7.174 481 2HD1 ILE 63 1HD1 ILE 63 3.035 -5.459 -5.459 482 3HD1 ILE 63 3HD1 ILE 63 3.057 -6.427 -6.427 483 H ALA 64 H ALA 64 1.423 -10.182 -10.182 484 HA ALA 64 HA ALA 64 -0.918 -11.840 -11.840 485 1HB ALA 64 2HB ALA 64 1.402 -12.650 -12.650 486 2HB ALA 64 1HB ALA 64 1.845 -12.482 -12.482 487 3HB ALA 64 3HB ALA 64 0.550 -13.583 -13.583 488 H ASP 65 H ASP 65 -1.863 -12.327 -12.327 489 HA ASP 65 HA ASP 65 -1.719 -10.487 -10.487 490 1HB ASP 65 2HB ASP 65 -3.042 -12.268 -12.268 491 2HB ASP 65 1HB ASP 65 -3.744 -11.691 -11.691 492 H ASP 66 H ASP 66 0.184 -13.256 -13.256 493 HA ASP 66 HA ASP 66 1.027 -13.969 -13.969 494 1HB ASP 66 2HB ASP 66 1.355 -15.338 -15.338 495 2HB ASP 66 1HB ASP 66 2.628 -14.217 -14.217 496 H TYR 67 H TYR 67 1.978 -11.422 -11.422 497 HA TYR 67 HA TYR 67 4.485 -10.737 -10.737 498 1HB TYR 67 2HB TYR 67 2.219 -8.928 -8.928 499 2HB TYR 67 1HB TYR 67 3.880 -8.393 -8.393 500 HD1 TYR 67 HD2 TYR 67 3.648 -11.715 -11.715 501 HD2 TYR 67 HD1 TYR 67 3.526 -7.589 -7.589 502 HE1 TYR 67 HE2 TYR 67 4.124 -12.286 -12.286 503 HE2 TYR 67 HE1 TYR 67 3.998 -8.144 -8.144 504 HH TYR 67 HH TYR 67 3.882 -11.367 -11.367 505 H ASP 68 H ASP 68 5.302 -9.537 -9.537 506 HA ASP 68 HA ASP 68 3.951 -9.601 -9.601 507 1HB ASP 68 2HB ASP 68 6.400 -8.130 -8.130 508 2HB ASP 68 1HB ASP 68 5.796 -7.936 -7.936 509 H LYS 69 H LYS 69 2.034 -8.570 -8.570 510 HA LYS 69 HA LYS 69 1.075 -6.358 -6.358 511 1HB LYS 69 2HB LYS 69 0.655 -7.065 -7.065 512 2HB LYS 69 1HB LYS 69 -0.370 -5.989 -5.989 513 1HG LYS 69 2HG LYS 69 -1.489 -7.685 -7.685 514 2HG LYS 69 1HG LYS 69 -0.011 -8.583 -8.583 515 1HD LYS 69 2HD LYS 69 -0.190 -9.834 -9.834 516 2HD LYS 69 1HD LYS 69 -0.707 -8.464 -8.464 517 1HE LYS 69 2HE LYS 69 -2.682 -9.542 -9.542 518 2HE LYS 69 1HE LYS 69 -2.884 -8.796 -8.796 519 1HZ LYS 69 3HZ LYS 69 -1.525 -11.044 -11.044 520 2HZ LYS 69 2HZ LYS 69 -2.495 -11.568 -11.568 521 3HZ LYS 69 1HZ LYS 69 -3.208 -10.885 -10.885 522 H LYS 70 H LYS 70 3.117 -6.353 -6.353 523 HA LYS 70 HA LYS 70 3.070 -3.533 -3.533 524 1HB LYS 70 2HB LYS 70 4.933 -3.896 -3.896 525 2HB LYS 70 1HB LYS 70 3.622 -5.030 -5.030 526 1HG LYS 70 2HG LYS 70 4.945 -6.663 -6.663 527 2HG LYS 70 1HG LYS 70 6.296 -5.545 -5.545 528 1HD LYS 70 2HD LYS 70 6.418 -7.299 -7.299 529 2HD LYS 70 1HD LYS 70 6.085 -5.749 -5.749 530 1HE LYS 70 2HE LYS 70 4.739 -7.725 -7.725 531 2HE LYS 70 1HE LYS 70 3.818 -6.299 -6.299 532 1HZ LYS 70 3HZ LYS 70 4.302 -8.501 -8.501 533 2HZ LYS 70 2HZ LYS 70 3.021 -8.574 -8.574 534 3HZ LYS 70 1HZ LYS 70 3.090 -7.321 -7.321 535 H LYS 71 H LYS 71 5.277 -5.769 -5.769 536 HA LYS 71 HA LYS 71 7.227 -3.819 -3.819 537 1HB LYS 71 2HB LYS 71 7.407 -6.407 -6.407 538 2HB LYS 71 1HB LYS 71 6.787 -6.319 -6.319 539 1HG LYS 71 2HG LYS 71 8.729 -5.569 -5.569 540 2HG LYS 71 1HG LYS 71 9.030 -4.516 -4.516 541 1HD LYS 71 2HD LYS 71 9.202 -7.377 -7.377 542 2HD LYS 71 1HD LYS 71 10.399 -6.814 -6.814 543 1HE LYS 71 2HE LYS 71 11.205 -6.691 -6.691 544 2HE LYS 71 1HE LYS 71 11.164 -5.117 -5.117 545 1HZ LYS 71 3HZ LYS 71 9.007 -4.721 -4.721 546 2HZ LYS 71 2HZ LYS 71 9.194 -6.172 -6.172 547 3HZ LYS 71 1HZ LYS 71 10.288 -4.905 -4.905 548 H LEU 72 H LEU 72 4.103 -4.106 -4.106 549 HA LEU 72 HA LEU 72 4.781 -3.119 -3.119 550 1HB LEU 72 2HB LEU 72 2.297 -4.361 -4.361 551 2HB LEU 72 1HB LEU 72 2.267 -3.488 -3.488 552 HG LEU 72 HG LEU 72 3.235 -5.176 -5.176 553 1HD1 LEU 72 2HD1 LEU 72 4.883 -5.839 -5.839 554 2HD1 LEU 72 1HD1 LEU 72 5.041 -6.596 -6.596 555 3HD1 LEU 72 3HD1 LEU 72 5.408 -4.882 -4.882 556 1HD2 LEU 72 1HD2 LEU 72 1.568 -6.137 -6.137 557 2HD2 LEU 72 3HD2 LEU 72 2.031 -6.965 -6.965 558 3HD2 LEU 72 2HD2 LEU 72 2.950 -7.232 -7.232 559 H VAL 73 H VAL 73 2.051 -2.496 -2.496 560 HA VAL 73 HA VAL 73 1.890 0.219 0.219 561 HB VAL 73 HB VAL 73 0.073 0.466 0.466 562 1HG1 VAL 73 3HG1 VAL 73 -0.378 -0.353 -0.353 563 2HG1 VAL 73 2HG1 VAL 73 -0.163 -2.009 -2.009 564 3HG1 VAL 73 1HG1 VAL 73 -1.497 -1.034 -1.034 565 1HG2 VAL 73 1HG2 VAL 73 0.933 -1.036 -1.036 566 2HG2 VAL 73 3HG2 VAL 73 -0.702 -1.493 -1.493 567 3HG2 VAL 73 2HG2 VAL 73 0.678 -2.416 -2.416 568 H LYS 74 H LYS 74 2.939 -1.372 -1.372 569 HA LYS 74 HA LYS 74 3.399 1.015 1.015 570 1HB LYS 74 2HB LYS 74 3.534 -1.663 -1.663 571 2HB LYS 74 1HB LYS 74 5.228 -1.196 -1.196 572 1HG LYS 74 2HG LYS 74 3.356 0.576 0.576 573 2HG LYS 74 1HG LYS 74 3.631 -1.023 -1.023 574 1HD LYS 74 2HD LYS 74 5.888 0.786 0.786 575 2HD LYS 74 1HD LYS 74 5.164 0.850 0.850 576 1HE LYS 74 2HE LYS 74 5.972 -1.214 -1.214 577 2HE LYS 74 1HE LYS 74 6.042 -1.787 -1.787 578 1HZ LYS 74 1HZ LYS 74 7.870 0.246 0.246 579 2HZ LYS 74 3HZ LYS 74 8.247 -1.394 -1.394 580 3HZ LYS 74 2HZ LYS 74 7.973 -0.436 -0.436 581 H ALA 75 H ALA 75 5.523 -1.029 -1.029 582 HA ALA 75 HA ALA 75 7.867 0.498 0.498 583 1HB ALA 75 3HB ALA 75 6.937 -1.431 -1.431 584 2HB ALA 75 2HB ALA 75 8.473 -0.579 -0.579 585 3HB ALA 75 1HB ALA 75 8.191 -1.643 -1.643 586 H PHE 76 H PHE 76 5.282 0.574 0.574 587 HA PHE 76 HA PHE 76 6.192 2.434 2.434 588 1HB PHE 76 2HB PHE 76 3.860 1.219 1.219 589 2HB PHE 76 1HB PHE 76 3.391 2.738 2.738 590 HD1 PHE 76 HD2 PHE 76 5.173 1.529 1.529 591 HD2 PHE 76 HD1 PHE 76 2.466 4.338 4.338 592 HE1 PHE 76 HE2 PHE 76 4.813 2.513 2.513 593 HE2 PHE 76 HE1 PHE 76 2.101 5.327 5.327 594 HZ PHE 76 HZ PHE 76 3.273 4.416 4.416 595 H LYS 77 H LYS 77 4.361 3.210 3.210 596 HA LYS 77 HA LYS 77 4.525 5.978 5.978 597 1HB LYS 77 2HB LYS 77 4.473 4.262 4.262 598 2HB LYS 77 1HB LYS 77 4.101 5.980 5.980 599 1HG LYS 77 2HG LYS 77 2.072 5.650 5.650 600 2HG LYS 77 1HG LYS 77 2.564 4.133 4.133 601 1HD LYS 77 2HD LYS 77 1.350 3.172 3.172 602 2HD LYS 77 1HD LYS 77 2.748 3.516 3.516 603 1HE LYS 77 2HE LYS 77 0.301 5.245 5.245 604 2HE LYS 77 1HE LYS 77 0.709 4.272 4.272 605 1HZ LYS 77 2HZ LYS 77 2.743 5.644 5.644 606 2HZ LYS 77 1HZ LYS 77 2.177 6.641 6.641 607 3HZ LYS 77 3HZ LYS 77 1.311 6.522 6.522 608 H LYS 78 H LYS 78 6.961 3.680 3.680 609 HA LYS 78 HA LYS 78 8.655 5.528 5.528 610 1HB LYS 78 2HB LYS 78 8.571 2.934 2.934 611 2HB LYS 78 1HB LYS 78 9.599 2.970 2.970 612 1HG LYS 78 2HG LYS 78 11.397 3.738 3.738 613 2HG LYS 78 1HG LYS 78 10.417 4.667 4.667 614 1HD LYS 78 2HD LYS 78 10.172 1.719 1.719 615 2HD LYS 78 1HD LYS 78 11.698 2.415 2.415 616 1HE LYS 78 2HE LYS 78 9.017 3.393 3.393 617 2HE LYS 78 1HE LYS 78 9.902 2.097 2.097 618 1HZ LYS 78 3HZ LYS 78 11.801 3.925 3.925 619 2HZ LYS 78 2HZ LYS 78 10.461 4.955 4.955 620 3HZ LYS 78 1HZ LYS 78 10.707 3.840 3.840 621 H LYS 79 H LYS 79 7.990 4.794 4.794 622 HA LYS 79 HA LYS 79 10.487 6.074 6.074 623 1HB LYS 79 2HB LYS 79 10.145 3.855 3.855 624 2HB LYS 79 1HB LYS 79 8.565 4.331 4.331 625 1HG LYS 79 2HG LYS 79 9.530 5.812 5.812 626 2HG LYS 79 1HG LYS 79 11.127 5.656 5.656 627 1HD LYS 79 2HD LYS 79 11.187 3.294 3.294 628 2HD LYS 79 1HD LYS 79 9.589 3.454 3.454 629 1HE LYS 79 2HE LYS 79 10.939 3.707 3.707 630 2HE LYS 79 1HE LYS 79 10.727 5.386 5.386 631 1HZ LYS 79 1HZ LYS 79 12.882 4.773 4.773 632 2HZ LYS 79 3HZ LYS 79 13.103 3.705 3.705 633 3HZ LYS 79 2HZ LYS 79 12.963 5.366 5.366 634 H PHE 80 H PHE 80 6.977 6.106 6.106 635 HA PHE 80 HA PHE 80 7.271 8.758 8.758 636 1HB PHE 80 2HB PHE 80 4.799 7.103 7.103 637 2HB PHE 80 1HB PHE 80 5.474 8.329 8.329 638 HD1 PHE 80 HD1 PHE 80 5.937 4.868 4.868 639 HD2 PHE 80 HD2 PHE 80 6.907 7.746 7.746 640 HE1 PHE 80 HE1 PHE 80 6.987 3.104 3.104 641 HE2 PHE 80 HE2 PHE 80 7.960 5.985 5.985 642 HZ PHE 80 HZ PHE 80 8.000 3.663 3.663 643 H ALA 81 H ALA 81 5.991 7.064 7.064 644 HA ALA 81 HA ALA 81 4.833 7.764 7.764 645 1HB ALA 81 1HB ALA 81 6.346 9.843 9.843 646 2HB ALA 81 3HB ALA 81 4.818 10.589 10.589 647 3HB ALA 81 2HB ALA 81 5.025 9.956 9.956 648 H CYS 82 H CYS 82 3.478 6.946 6.946 649 HA CYS 82 HA CYS 82 1.053 8.597 8.597 650 1HB CYS 82 2HB CYS 82 1.837 6.349 6.349 651 2HB CYS 82 1HB CYS 82 0.406 7.363 7.363 652 HG CYS 82 HG CYS 82 3.002 8.950 8.950 653 H ASN 83 H ASN 83 -0.953 7.761 7.761 654 HA ASN 83 HA ASN 83 -0.998 5.689 5.689 655 1HB ASN 83 2HB ASN 83 -2.954 7.526 7.526 656 2HB ASN 83 1HB ASN 83 -3.623 6.001 6.001 657 1HD2 ASN 83 2HD2 ASN 83 -2.422 6.692 6.692 658 2HD2 ASN 83 1HD2 ASN 83 -2.200 5.460 5.460 659 H GLY 84 H GLY 84 -0.392 3.718 3.718 660 1HA GLY 84 2HA GLY 84 -1.743 2.654 2.654 661 2HA GLY 84 1HA GLY 84 -0.287 1.997 1.997 662 H THR 85 H THR 85 -3.050 0.909 0.909 663 HA THR 85 HA THR 85 -3.386 -0.558 -0.558 664 HB THR 85 HB THR 85 -5.843 -0.419 -0.419 665 HG1 THR 85 HG1 THR 85 -5.252 1.383 1.383 666 1HG2 THR 85 1HG2 THR 85 -4.437 2.231 2.231 667 2HG2 THR 85 3HG2 THR 85 -6.141 1.991 1.991 668 3HG2 THR 85 2HG2 THR 85 -4.900 1.174 1.174 669 H VAL 86 H VAL 86 -4.176 -2.667 -2.667 670 HA VAL 86 HA VAL 86 -4.090 -3.700 -3.700 671 HB VAL 86 HB VAL 86 -2.324 -4.607 -4.607 672 1HG1 VAL 86 3HG1 VAL 86 -4.243 -4.529 -4.529 673 2HG1 VAL 86 2HG1 VAL 86 -3.944 -6.245 -6.245 674 3HG1 VAL 86 1HG1 VAL 86 -2.604 -5.168 -5.168 675 1HG2 VAL 86 2HG2 VAL 86 -4.510 -6.566 -6.566 676 2HG2 VAL 86 1HG2 VAL 86 -3.151 -6.076 -6.076 677 3HG2 VAL 86 3HG2 VAL 86 -2.867 -7.033 -7.033 678 H ILE 87 H ILE 87 -6.243 -3.540 -3.540 679 HA ILE 87 HA ILE 87 -8.185 -4.934 -4.934 680 HB ILE 87 HB ILE 87 -9.937 -3.718 -3.718 681 1HG1 ILE 87 2HG1 ILE 87 -8.116 -1.784 -1.784 682 2HG1 ILE 87 1HG1 ILE 87 -8.064 -3.385 -3.385 683 1HG2 ILE 87 2HG2 ILE 87 -7.779 -1.929 -1.929 684 2HG2 ILE 87 1HG2 ILE 87 -9.472 -1.482 -1.482 685 3HG2 ILE 87 3HG2 ILE 87 -9.035 -2.751 -2.751 686 1HD1 ILE 87 2HD1 ILE 87 -10.702 -2.105 -2.105 687 2HD1 ILE 87 1HD1 ILE 87 -9.727 -1.582 -1.582 688 3HD1 ILE 87 3HD1 ILE 87 -10.230 -3.267 -3.267 689 H GLU 88 H GLU 88 -9.694 -6.365 -6.365 690 HA GLU 88 HA GLU 88 -8.739 -7.662 -7.662 691 1HB GLU 88 2HB GLU 88 -9.228 -8.851 -8.851 692 2HB GLU 88 1HB GLU 88 -10.891 -8.811 -8.811 693 1HG GLU 88 2HG GLU 88 -10.244 -10.030 -10.030 694 2HG GLU 88 1HG GLU 88 -8.570 -10.057 -10.057 695 H HIS 89 H HIS 89 -9.667 -5.850 -5.850 696 HA HIS 89 HA HIS 89 -12.308 -5.098 -5.098 697 1HB HIS 89 2HB HIS 89 -10.156 -4.342 -4.342 698 2HB HIS 89 1HB HIS 89 -10.887 -5.368 -5.368 699 HD1 HIS 89 HD1 HIS 89 -12.604 -4.295 -4.295 700 HD2 HIS 89 HD2 HIS 89 -12.025 -2.245 -2.245 701 HE1 HIS 89 HE1 HIS 89 -14.046 -2.243 -2.243 702 HE2 HIS 89 HE2 HIS 89 -13.753 -1.064 -1.064 703 HA PRO 90 HA PRO 90 -14.387 -8.690 -8.690 704 1HB PRO 90 2HB PRO 90 -16.816 -7.635 -7.635 705 2HB PRO 90 1HB PRO 90 -16.164 -7.858 -7.858 706 1HG PRO 90 2HG PRO 90 -16.311 -5.373 -5.373 707 2HG PRO 90 1HG PRO 90 -16.626 -5.584 -5.584 708 1HD PRO 90 2HD PRO 90 -14.269 -4.616 -4.616 709 2HD PRO 90 1HD PRO 90 -14.412 -5.402 -5.402 710 H GLU 91 H GLU 91 -14.211 -5.687 -5.687 711 HA GLU 91 HA GLU 91 -15.239 -6.854 -6.854 712 1HB GLU 91 2HB GLU 91 -14.110 -4.150 -4.150 713 2HB GLU 91 1HB GLU 91 -14.493 -4.609 -4.609 714 1HG GLU 91 2HG GLU 91 -16.822 -5.188 -5.188 715 2HG GLU 91 1HG GLU 91 -16.330 -4.184 -4.184 716 H TYR 92 H TYR 92 -12.150 -6.309 -6.309 717 HA TYR 92 HA TYR 92 -10.812 -7.206 -7.206 718 1HB TYR 92 2HB TYR 92 -9.349 -5.946 -5.946 719 2HB TYR 92 1HB TYR 92 -8.892 -6.017 -6.017 720 HD1 TYR 92 HD1 TYR 92 -11.700 -5.089 -5.089 721 HD2 TYR 92 HD2 TYR 92 -8.986 -3.582 -3.582 722 HE1 TYR 92 HE1 TYR 92 -12.614 -2.834 -2.834 723 HE2 TYR 92 HE2 TYR 92 -9.887 -1.319 -1.319 724 HH TYR 92 HH TYR 92 -11.100 -0.071 -0.071 725 H GLY 93 H GLY 93 -10.623 -7.474 -7.474 726 1HA GLY 93 2HA GLY 93 -10.516 -9.541 -9.541 727 2HA GLY 93 1HA GLY 93 -9.958 -10.310 -10.310 728 H GLU 94 H GLU 94 -9.050 -8.656 -8.656 729 HA GLU 94 HA GLU 94 -7.059 -8.435 -8.435 730 1HB GLU 94 2HB GLU 94 -6.846 -10.821 -10.821 731 2HB GLU 94 1HB GLU 94 -5.370 -9.954 -9.954 732 1HG GLU 94 2HG GLU 94 -4.502 -10.247 -10.247 733 2HG GLU 94 1HG GLU 94 -6.026 -9.877 -9.877 734 H VAL 95 H VAL 95 -6.787 -6.260 -6.260 735 HA VAL 95 HA VAL 95 -4.685 -5.655 -5.655 736 HB VAL 95 HB VAL 95 -5.886 -3.619 -3.619 737 1HG1 VAL 95 2HG1 VAL 95 -5.920 -5.847 -5.847 738 2HG1 VAL 95 1HG1 VAL 95 -7.546 -6.061 -6.061 739 3HG1 VAL 95 3HG1 VAL 95 -7.194 -4.703 -4.703 740 1HG2 VAL 95 1HG2 VAL 95 -8.075 -4.790 -4.790 741 2HG2 VAL 95 3HG2 VAL 95 -7.431 -3.149 -3.149 742 3HG2 VAL 95 2HG2 VAL 95 -8.424 -3.701 -3.701 743 H ILE 96 H ILE 96 -3.451 -3.813 -3.813 744 HA ILE 96 HA ILE 96 -3.637 -3.038 -3.038 745 HB ILE 96 HB ILE 96 -1.462 -3.166 -3.166 746 1HG1 ILE 96 2HG1 ILE 96 -1.910 -4.583 -4.583 747 2HG1 ILE 96 1HG1 ILE 96 -0.257 -4.059 -4.059 748 1HG2 ILE 96 1HG2 ILE 96 -1.633 -0.879 -0.879 749 2HG2 ILE 96 3HG2 ILE 96 -0.096 -1.479 -1.479 750 3HG2 ILE 96 2HG2 ILE 96 -1.302 -0.823 -0.823 751 1HD1 ILE 96 1HD1 ILE 96 -2.157 -2.666 -2.666 752 2HD1 ILE 96 3HD1 ILE 96 -0.953 -3.858 -3.858 753 3HD1 ILE 96 2HD1 ILE 96 -0.441 -2.330 -2.330 754 H GLN 97 H GLN 97 -4.672 -1.265 -1.265 755 HA GLN 97 HA GLN 97 -5.167 0.795 0.795 756 1HB GLN 97 2HB GLN 97 -6.806 -0.378 -0.378 757 2HB GLN 97 1HB GLN 97 -6.409 1.159 1.159 758 1HG GLN 97 2HG GLN 97 -7.048 2.175 2.175 759 2HG GLN 97 1HG GLN 97 -7.852 0.630 0.630 760 1HE2 GLN 97 2HE2 GLN 97 -10.437 2.766 2.766 761 2HE2 GLN 97 1HE2 GLN 97 -9.525 2.563 2.563 762 H LEU 98 H LEU 98 -3.732 2.365 2.365 763 HA LEU 98 HA LEU 98 -2.470 3.346 3.346 764 1HB LEU 98 2HB LEU 98 -1.656 3.733 3.733 765 2HB LEU 98 1HB LEU 98 -0.807 4.384 4.384 766 HG LEU 98 HG LEU 98 -1.232 1.438 1.438 767 1HD1 LEU 98 3HD1 LEU 98 -0.334 2.477 2.477 768 2HD1 LEU 98 2HD1 LEU 98 1.172 2.570 2.570 769 3HD1 LEU 98 1HD1 LEU 98 0.376 1.014 1.014 770 1HD2 LEU 98 3HD2 LEU 98 0.262 3.300 3.300 771 2HD2 LEU 98 2HD2 LEU 98 0.093 1.556 1.556 772 3HD2 LEU 98 1HD2 LEU 98 1.379 2.200 2.200 773 H GLN 99 H GLN 99 -2.241 5.667 5.667 774 HA GLN 99 HA GLN 99 -4.635 7.037 7.037 775 1HB GLN 99 2HB GLN 99 -3.007 7.143 7.143 776 2HB GLN 99 1HB GLN 99 -3.145 8.752 8.752 777 1HG GLN 99 2HG GLN 99 -5.651 7.225 7.225 778 2HG GLN 99 1HG GLN 99 -4.925 7.682 7.682 779 1HE2 GLN 99 2HE2 GLN 99 -7.215 10.374 10.374 780 2HE2 GLN 99 1HE2 GLN 99 -7.334 8.694 8.694 781 H GLY 100 H GLY 100 -4.675 8.895 8.895 782 1HA GLY 100 2HA GLY 100 -3.884 10.656 10.656 783 2HA GLY 100 1HA GLY 100 -2.260 10.296 10.296 784 H ASP 101 H ASP 101 -2.292 10.982 10.982 785 HA ASP 101 HA ASP 101 -2.783 8.789 8.789 786 1HB ASP 101 2HB ASP 101 -1.748 10.263 10.263 787 2HB ASP 101 1HB ASP 101 -3.029 11.074 11.074 788 H GLN 102 H GLN 102 -1.466 7.248 7.248 789 HA GLN 102 HA GLN 102 1.417 7.589 7.589 790 1HB GLN 102 2HB GLN 102 -0.432 5.872 5.872 791 2HB GLN 102 1HB GLN 102 1.079 5.111 5.111 792 1HG GLN 102 2HG GLN 102 0.943 6.279 6.279 793 2HG GLN 102 1HG GLN 102 2.359 6.565 6.565 794 1HE2 GLN 102 2HE2 GLN 102 -0.418 9.567 9.567 795 2HE2 GLN 102 1HE2 GLN 102 -0.894 7.918 7.918 796 H ARG 103 H ARG 103 -0.777 6.715 6.715 797 HA ARG 103 HA ARG 103 -0.261 4.236 4.236 798 1HB ARG 103 2HB ARG 103 -0.795 5.092 5.092 799 2HB ARG 103 1HB ARG 103 -1.843 5.829 5.829 800 1HG ARG 103 2HG ARG 103 -0.776 7.893 7.893 801 2HG ARG 103 1HG ARG 103 0.655 7.198 7.198 802 1HD ARG 103 2HD ARG 103 -0.202 7.535 7.535 803 2HD ARG 103 1HD ARG 103 -1.661 6.642 6.642 804 HE ARG 103 HE ARG 103 -2.000 9.095 9.095 805 1HH1 ARG 103 2HH1 ARG 103 -1.358 7.964 7.964 806 2HH1 ARG 103 1HH1 ARG 103 -2.181 9.284 9.284 807 1HH2 ARG 103 1HH2 ARG 103 -3.082 10.832 10.832 808 2HH2 ARG 103 2HH2 ARG 103 -3.158 10.915 10.915 809 H LYS 104 H LYS 104 1.859 7.005 7.005 810 HA LYS 104 HA LYS 104 3.812 5.559 5.559 811 1HB LYS 104 2HB LYS 104 3.218 8.374 8.374 812 2HB LYS 104 1HB LYS 104 4.935 8.003 8.003 813 1HG LYS 104 2HG LYS 104 4.929 8.279 8.279 814 2HG LYS 104 1HG LYS 104 4.140 6.703 6.703 815 1HD LYS 104 2HD LYS 104 2.573 7.848 7.848 816 2HD LYS 104 1HD LYS 104 2.003 8.278 8.278 817 1HE LYS 104 2HE LYS 104 3.122 10.377 10.377 818 2HE LYS 104 1HE LYS 104 3.996 9.927 9.927 819 1HZ LYS 104 1HZ LYS 104 1.065 9.946 9.946 820 2HZ LYS 104 3HZ LYS 104 1.878 11.429 11.429 821 3HZ LYS 104 2HZ LYS 104 2.174 10.273 10.273 822 H ASN 105 H ASN 105 3.174 6.546 6.546 823 HA ASN 105 HA ASN 105 5.895 6.229 6.229 824 1HB ASN 105 2HB ASN 105 3.283 6.887 6.887 825 2HB ASN 105 1HB ASN 105 4.605 6.312 6.312 826 1HD2 ASN 105 2HD2 ASN 105 4.483 10.106 10.106 827 2HD2 ASN 105 1HD2 ASN 105 3.181 8.983 8.983 828 H ILE 106 H ILE 106 2.892 4.337 4.337 829 HA ILE 106 HA ILE 106 3.970 2.295 2.295 830 HB ILE 106 HB ILE 106 1.538 2.658 2.658 831 1HG1 ILE 106 2HG1 ILE 106 0.925 0.323 0.323 832 2HG1 ILE 106 1HG1 ILE 106 2.378 -0.131 -0.131 833 1HG2 ILE 106 3HG2 ILE 106 1.524 3.068 3.068 834 2HG2 ILE 106 2HG2 ILE 106 1.929 1.378 1.378 835 3HG2 ILE 106 1HG2 ILE 106 0.385 1.802 1.802 836 1HD1 ILE 106 2HD1 ILE 106 2.647 1.274 1.274 837 2HD1 ILE 106 1HD1 ILE 106 2.241 -0.442 -0.442 838 3HD1 ILE 106 3HD1 ILE 106 3.733 0.125 0.125 839 H CYS 107 H CYS 107 3.518 2.512 2.512 840 HA CYS 107 HA CYS 107 4.521 0.005 0.005 841 1HB CYS 107 2HB CYS 107 4.984 0.935 0.935 842 2HB CYS 107 1HB CYS 107 3.470 1.606 1.606 843 HG CYS 107 HG CYS 107 4.932 3.508 3.508 844 H GLN 108 H GLN 108 6.096 2.953 2.953 845 HA GLN 108 HA GLN 108 8.766 2.240 2.240 846 1HB GLN 108 2HB GLN 108 7.443 4.314 4.314 847 2HB GLN 108 1HB GLN 108 9.126 3.966 3.966 848 1HG GLN 108 2HG GLN 108 8.429 4.422 4.422 849 2HG GLN 108 1HG GLN 108 8.352 5.810 5.810 850 1HE2 GLN 108 2HE2 GLN 108 11.994 3.964 3.964 851 2HE2 GLN 108 1HE2 GLN 108 10.545 3.060 3.060 852 H PHE 109 H PHE 109 6.974 2.250 2.250 853 HA PHE 109 HA PHE 109 8.896 1.119 1.119 854 1HB PHE 109 2HB PHE 109 6.746 2.154 2.154 855 2HB PHE 109 1HB PHE 109 5.902 0.719 0.719 856 HD1 PHE 109 HD1 PHE 109 8.657 1.732 1.732 857 HD2 PHE 109 HD2 PHE 109 5.490 -0.991 -0.991 858 HE1 PHE 109 HE1 PHE 109 9.008 0.683 0.683 859 HE2 PHE 109 HE2 PHE 109 5.835 -2.048 -2.048 860 HZ PHE 109 HZ PHE 109 7.596 -1.207 -1.207 861 H LEU 110 H LEU 110 6.338 -0.459 -0.459 862 HA LEU 110 HA LEU 110 6.770 -3.084 -3.084 863 1HB LEU 110 2HB LEU 110 5.622 -1.755 -1.755 864 2HB LEU 110 1HB LEU 110 6.003 -3.458 -3.458 865 HG LEU 110 HG LEU 110 4.438 -4.061 -4.061 866 1HD1 LEU 110 2HD1 LEU 110 4.617 -1.195 -1.195 867 2HD1 LEU 110 1HD1 LEU 110 3.140 -2.093 -2.093 868 3HD1 LEU 110 3HD1 LEU 110 4.685 -2.647 -2.647 869 1HD2 LEU 110 3HD2 LEU 110 3.656 -2.517 -2.517 870 2HD2 LEU 110 2HD2 LEU 110 2.748 -3.779 -3.779 871 3HD2 LEU 110 1HD2 LEU 110 2.583 -2.097 -2.097 872 H VAL 111 H VAL 111 8.543 -1.078 -1.078 873 HA VAL 111 HA VAL 111 10.155 -3.335 -3.335 874 HB VAL 111 HB VAL 111 10.256 -0.424 -0.424 875 1HG1 VAL 111 1HG1 VAL 111 11.693 -2.848 -2.848 876 2HG1 VAL 111 3HG1 VAL 111 11.579 -1.318 -1.318 877 3HG1 VAL 111 2HG1 VAL 111 12.403 -1.389 -1.389 878 1HG2 VAL 111 3HG2 VAL 111 8.171 -1.708 -1.708 879 2HG2 VAL 111 2HG2 VAL 111 9.057 -1.025 -1.025 880 3HG2 VAL 111 1HG2 VAL 111 9.189 -2.745 -2.745 881 H GLU 112 H GLU 112 10.283 -0.632 -0.632 882 HA GLU 112 HA GLU 112 13.136 -0.587 -0.587 883 1HB GLU 112 2HB GLU 112 10.923 0.624 0.624 884 2HB GLU 112 1HB GLU 112 12.631 0.852 0.852 885 1HG GLU 112 2HG GLU 112 11.896 1.455 1.455 886 2HG GLU 112 1HG GLU 112 11.109 2.479 2.479 887 H ILE 113 H ILE 113 10.457 -2.005 -2.005 888 HA ILE 113 HA ILE 113 12.312 -3.152 -3.152 889 HB ILE 113 HB ILE 113 10.434 -3.846 -3.846 890 1HG1 ILE 113 2HG1 ILE 113 8.702 -3.185 -3.185 891 2HG1 ILE 113 1HG1 ILE 113 9.098 -4.805 -4.805 892 1HG2 ILE 113 3HG2 ILE 113 10.928 -1.270 -1.270 893 2HG2 ILE 113 2HG2 ILE 113 9.255 -1.334 -1.334 894 3HG2 ILE 113 1HG2 ILE 113 9.657 -1.814 -1.814 895 1HD1 ILE 113 2HD1 ILE 113 7.956 -3.207 -3.207 896 2HD1 ILE 113 1HD1 ILE 113 6.895 -3.295 -3.295 897 3HD1 ILE 113 3HD1 ILE 113 7.456 -4.774 -4.774 898 H GLY 114 H GLY 114 10.596 -4.065 -4.065 899 1HA GLY 114 2HA GLY 114 11.196 -5.986 -5.986 900 2HA GLY 114 1HA GLY 114 11.742 -6.757 -6.757 901 H LEU 115 H LEU 115 8.700 -5.076 -5.076 902 HA LEU 115 HA LEU 115 7.275 -7.434 -7.434 903 1HB LEU 115 2HB LEU 115 6.906 -4.698 -4.698 904 2HB LEU 115 1HB LEU 115 5.634 -5.179 -5.179 905 HG LEU 115 HG LEU 115 4.685 -6.660 -6.660 906 1HD1 LEU 115 1HD1 LEU 115 7.329 -6.730 -6.730 907 2HD1 LEU 115 3HD1 LEU 115 6.176 -6.319 -6.319 908 3HD1 LEU 115 2HD1 LEU 115 5.961 -7.794 -7.794 909 1HD2 LEU 115 3HD2 LEU 115 5.165 -3.892 -3.892 910 2HD2 LEU 115 2HD2 LEU 115 3.697 -4.853 -4.853 911 3HD2 LEU 115 1HD2 LEU 115 4.917 -4.852 -4.852 912 H ALA 116 H ALA 116 6.455 -5.163 -5.163 913 HA ALA 116 HA ALA 116 5.249 -7.325 -7.325 914 1HB ALA 116 3HB ALA 116 4.317 -4.956 -4.956 915 2HB ALA 116 2HB ALA 116 5.566 -4.494 -4.494 916 3HB ALA 116 1HB ALA 116 4.341 -5.678 -5.678 917 H LYS 117 H LYS 117 5.758 -6.607 -6.607 918 HA LYS 117 HA LYS 117 8.680 -6.823 -6.823 919 1HB LYS 117 2HB LYS 117 6.780 -8.865 -8.865 920 2HB LYS 117 1HB LYS 117 7.432 -8.307 -8.307 921 1HG LYS 117 2HG LYS 117 8.753 -10.140 -10.140 922 2HG LYS 117 1HG LYS 117 9.715 -8.667 -8.667 923 1HD LYS 117 2HD LYS 117 8.235 -9.136 -9.136 924 2HD LYS 117 1HD LYS 117 9.195 -10.554 -10.554 925 1HE LYS 117 2HE LYS 117 10.965 -8.536 -8.536 926 2HE LYS 117 1HE LYS 117 10.045 -7.896 -7.896 927 1HZ LYS 117 1HZ LYS 117 10.498 -10.413 -10.413 928 2HZ LYS 117 3HZ LYS 117 11.907 -10.107 -10.107 929 3HZ LYS 117 2HZ LYS 117 11.485 -9.101 -9.101 930 H ASP 118 H ASP 118 9.540 -6.033 -6.033 931 HA ASP 118 HA ASP 118 8.256 -3.734 -3.734 932 1HB ASP 118 2HB ASP 118 10.034 -3.951 -3.951 933 2HB ASP 118 1HB ASP 118 10.567 -3.656 -3.656 934 H ASP 119 H ASP 119 8.179 -7.051 -7.051 935 HA ASP 119 HA ASP 119 6.939 -6.496 -6.496 936 1HB ASP 119 2HB ASP 119 8.391 -8.543 -8.543 937 2HB ASP 119 1HB ASP 119 6.964 -9.164 -9.164 938 H GLN 120 H GLN 120 5.969 -6.712 -6.712 939 HA GLN 120 HA GLN 120 3.164 -7.136 -7.136 940 1HB GLN 120 2HB GLN 120 4.269 -7.334 -7.334 941 2HB GLN 120 1HB GLN 120 2.737 -7.946 -7.946 942 1HG GLN 120 2HG GLN 120 4.074 -9.496 -9.496 943 2HG GLN 120 1HG GLN 120 5.492 -9.004 -9.004 944 1HE2 GLN 120 2HE2 GLN 120 3.831 -10.361 -10.361 945 2HE2 GLN 120 1HE2 GLN 120 4.245 -8.777 -8.777 946 H LEU 121 H LEU 121 5.263 -4.695 -4.695 947 HA LEU 121 HA LEU 121 3.921 -3.075 -3.075 948 1HB LEU 121 2HB LEU 121 5.976 -2.627 -2.627 949 2HB LEU 121 1HB LEU 121 5.158 -1.223 -1.223 950 HG LEU 121 HG LEU 121 6.626 -3.257 -3.257 951 1HD1 LEU 121 1HD1 LEU 121 7.725 -1.336 -1.336 952 2HD1 LEU 121 3HD1 LEU 121 7.867 -0.669 -0.669 953 3HD1 LEU 121 2HD1 LEU 121 8.554 -2.253 -2.253 954 1HD2 LEU 121 1HD2 LEU 121 4.731 -1.395 -1.395 955 2HD2 LEU 121 3HD2 LEU 121 5.933 -2.125 -2.125 956 3HD2 LEU 121 2HD2 LEU 121 6.255 -0.565 -0.565 957 H LYS 122 H LYS 122 1.702 -3.455 -3.455 958 HA LYS 122 HA LYS 122 0.911 -2.058 -2.058 959 1HB LYS 122 2HB LYS 122 -0.426 -3.981 -3.981 960 2HB LYS 122 1HB LYS 122 -1.420 -2.929 -2.929 961 1HG LYS 122 2HG LYS 122 0.758 -4.648 -4.648 962 2HG LYS 122 1HG LYS 122 -0.899 -5.222 -5.222 963 1HD LYS 122 2HD LYS 122 -1.682 -3.970 -3.970 964 2HD LYS 122 1HD LYS 122 -0.599 -2.622 -2.622 965 1HE LYS 122 2HE LYS 122 1.240 -3.752 -3.752 966 2HE LYS 122 1HE LYS 122 0.277 -5.214 -5.214 967 1HZ LYS 122 2HZ LYS 122 -1.254 -3.505 -3.505 968 2HZ LYS 122 1HZ LYS 122 0.224 -2.715 -2.715 969 3HZ LYS 122 3HZ LYS 122 0.025 -4.307 -4.307 970 H VAL 123 H VAL 123 1.486 0.054 0.054 971 HA VAL 123 HA VAL 123 -0.080 1.091 1.091 972 HB VAL 123 HB VAL 123 2.271 1.759 1.759 973 1HG1 VAL 123 2HG1 VAL 123 1.711 1.979 1.979 974 2HG1 VAL 123 1HG1 VAL 123 1.891 3.653 3.653 975 3HG1 VAL 123 3HG1 VAL 123 3.193 2.497 2.497 976 1HG2 VAL 123 1HG2 VAL 123 0.628 3.242 3.242 977 2HG2 VAL 123 3HG2 VAL 123 1.973 4.124 4.124 978 3HG2 VAL 123 2HG2 VAL 123 0.404 4.090 4.090 979 H HIS 124 H HIS 124 -2.021 1.971 1.971 980 HA HIS 124 HA HIS 124 -2.646 3.340 3.340 981 1HB HIS 124 2HB HIS 124 -4.578 1.594 1.594 982 2HB HIS 124 1HB HIS 124 -4.888 2.419 2.419 983 HD1 HIS 124 HD1 HIS 124 -3.842 1.390 1.390 984 HD2 HIS 124 HD2 HIS 124 -3.142 -0.792 -0.792 985 HE1 HIS 124 HE1 HIS 124 -2.978 -0.841 -0.841 986 HE2 HIS 124 HE2 HIS 124 -2.630 -2.169 -2.169 987 H GLY 125 H GLY 125 -3.713 5.250 5.250 988 1HA GLY 125 2HA GLY 125 -4.218 6.203 6.203 989 2HA GLY 125 1HA GLY 125 -3.871 7.228 7.228 990 H PHE 126 HN PHE 126 -6.226 6.555 6.555 991 HA PHE 126 HA PHE 126 -8.501 5.850 5.850 992 1HB PHE 126 2HB PHE 126 -9.633 6.566 6.566 993 2HB PHE 126 1HB PHE 126 -8.009 6.673 6.673 994 HD1 PHE 126 HD1 PHE 126 -6.816 8.983 8.983 995 HD2 PHE 126 HD2 PHE 126 -11.026 8.385 8.385 996 HE1 PHE 126 HE1 PHE 126 -7.173 11.372 11.372 997 HE2 PHE 126 HE2 PHE 126 -11.392 10.772 10.772 998 HZ PHE 126 HZ PHE 126 -9.465 12.269 12.269 Start of MODEL 20 1 1H MET 1 2H MET 1 -7.948 33.398 33.398 2 2H MET 1 1H MET 1 -7.245 32.163 32.163 3 3H MET 1 3H MET 1 -7.033 32.149 32.149 4 HA MET 1 HA MET 1 -5.059 32.898 32.898 5 1HB MET 1 2HB MET 1 -6.984 34.642 34.642 6 2HB MET 1 1HB MET 1 -5.313 35.151 35.151 7 1HG MET 1 2HG MET 1 -4.792 32.755 32.755 8 2HG MET 1 1HG MET 1 -6.427 32.875 32.875 9 1HE MET 1 3HE MET 1 -6.683 35.954 35.954 10 2HE MET 1 2HE MET 1 -6.122 36.135 36.135 11 3HE MET 1 1HE MET 1 -7.183 34.793 34.793 12 H ARG 2 H ARG 2 -5.062 33.127 33.127 13 HA ARG 2 HA ARG 2 -4.729 34.310 34.310 14 1HB ARG 2 2HB ARG 2 -3.540 35.765 35.765 15 2HB ARG 2 1HB ARG 2 -4.638 36.954 36.954 16 1HG ARG 2 2HG ARG 2 -2.536 35.395 35.395 17 2HG ARG 2 1HG ARG 2 -2.465 37.101 37.101 18 1HD ARG 2 2HD ARG 2 -4.731 37.203 37.203 19 2HD ARG 2 1HD ARG 2 -4.104 35.741 35.741 20 HE ARG 2 HE ARG 2 -2.226 37.915 37.915 21 1HH1 ARG 2 2HH1 ARG 2 -4.885 36.466 36.466 22 2HH1 ARG 2 1HH1 ARG 2 -4.438 37.165 37.165 23 1HH2 ARG 2 1HH2 ARG 2 -1.637 38.836 38.836 24 2HH2 ARG 2 2HH2 ARG 2 -2.595 38.511 38.511 25 H GLY 3 H GLY 3 -7.307 33.730 33.730 26 1HA GLY 3 2HA GLY 3 -8.924 34.849 34.849 27 2HA GLY 3 1HA GLY 3 -8.777 36.230 36.230 28 H SER 4 H SER 4 -9.579 32.763 32.763 29 HA SER 4 HA SER 4 -11.418 33.295 33.295 30 1HB SER 4 2HB SER 4 -11.429 30.882 30.882 31 2HB SER 4 1HB SER 4 -9.768 31.470 31.470 32 HG SER 4 HG SER 4 -9.894 30.842 30.842 33 H HIS 5 H HIS 5 -12.130 34.178 34.178 34 HA HIS 5 HA HIS 5 -14.504 32.502 32.502 35 1HB HIS 5 2HB HIS 5 -14.244 33.284 33.284 36 2HB HIS 5 1HB HIS 5 -13.290 31.925 31.925 37 HD1 HIS 5 HD1 HIS 5 -12.971 35.083 35.083 38 HD2 HIS 5 HD2 HIS 5 -10.549 32.776 32.776 39 HE1 HIS 5 HE1 HIS 5 -10.632 35.925 35.925 40 HE2 HIS 5 HE2 HIS 5 -9.175 34.472 34.472 41 H HIS 6 H HIS 6 -13.098 35.632 35.632 42 HA HIS 6 HA HIS 6 -13.922 37.751 37.751 43 1HB HIS 6 2HB HIS 6 -14.930 36.609 36.609 44 2HB HIS 6 1HB HIS 6 -16.388 37.184 37.184 45 HD1 HIS 6 HD1 HIS 6 -13.174 38.416 38.416 46 HD2 HIS 6 HD2 HIS 6 -16.731 39.936 39.936 47 HE1 HIS 6 HE1 HIS 6 -13.183 40.853 40.853 48 HE2 HIS 6 HE2 HIS 6 -15.308 41.769 41.769 49 H HIS 7 H HIS 7 -15.155 35.355 35.355 50 HA HIS 7 HA HIS 7 -16.457 36.814 36.814 51 1HB HIS 7 2HB HIS 7 -18.176 36.329 36.329 52 2HB HIS 7 1HB HIS 7 -18.875 35.723 35.723 53 HD1 HIS 7 HD1 HIS 7 -17.820 37.983 37.983 54 HD2 HIS 7 HD2 HIS 7 -19.696 38.592 38.592 55 HE1 HIS 7 HE1 HIS 7 -18.771 40.308 40.308 56 HE2 HIS 7 HE2 HIS 7 -19.968 40.626 40.626 57 H HIS 8 H HIS 8 -17.882 33.948 33.948 58 HA HIS 8 HA HIS 8 -16.563 32.116 32.116 59 1HB HIS 8 2HB HIS 8 -18.328 33.159 33.159 60 2HB HIS 8 1HB HIS 8 -19.540 32.482 32.482 61 HD1 HIS 8 HD1 HIS 8 -17.108 31.541 31.541 62 HD2 HIS 8 HD2 HIS 8 -19.916 29.705 29.705 63 HE1 HIS 8 HE1 HIS 8 -17.424 29.234 29.234 64 HE2 HIS 8 HE2 HIS 8 -19.054 28.109 28.109 65 H HIS 9 H HIS 9 -16.642 32.213 32.213 66 HA HIS 9 HA HIS 9 -18.679 30.697 30.697 67 1HB HIS 9 2HB HIS 9 -16.430 32.045 32.045 68 2HB HIS 9 1HB HIS 9 -16.044 30.365 30.365 69 HD1 HIS 9 HD1 HIS 9 -18.788 29.340 29.340 70 HD2 HIS 9 HD2 HIS 9 -17.183 32.979 32.979 71 HE1 HIS 9 HE1 HIS 9 -19.954 29.910 29.910 72 HE2 HIS 9 HE2 HIS 9 -19.028 32.156 32.156 73 H HIS 10 H HIS 10 -19.005 28.555 28.555 74 HA HIS 10 HA HIS 10 -17.257 26.773 26.773 75 1HB HIS 10 2HB HIS 10 -19.906 26.951 26.951 76 2HB HIS 10 1HB HIS 10 -19.808 25.820 25.820 77 HD1 HIS 10 HD1 HIS 10 -19.256 26.093 26.093 78 HD2 HIS 10 HD2 HIS 10 -18.810 23.265 23.265 79 HE1 HIS 10 HE1 HIS 10 -18.892 23.905 23.905 80 HE2 HIS 10 HE2 HIS 10 -18.546 22.221 22.221 81 H THR 11 H THR 11 -15.617 26.901 26.901 82 HA THR 11 HA THR 11 -16.277 25.287 25.287 83 HB THR 11 HB THR 11 -14.089 26.189 26.189 84 HG1 THR 11 HG1 THR 11 -12.930 27.027 27.027 85 1HG2 THR 11 3HG2 THR 11 -16.298 28.100 28.100 86 2HG2 THR 11 2HG2 THR 11 -14.914 28.548 28.548 87 3HG2 THR 11 1HG2 THR 11 -16.004 27.263 27.263 88 H ASP 12 H ASP 12 -14.495 23.837 23.837 89 HA ASP 12 HA ASP 12 -13.172 22.007 22.007 90 1HB ASP 12 2HB ASP 12 -12.161 23.534 23.534 91 2HB ASP 12 1HB ASP 12 -11.354 22.184 22.184 92 HA PRO 13 HA PRO 13 -16.015 20.031 20.031 93 1HB PRO 13 2HB PRO 13 -16.077 17.658 17.658 94 2HB PRO 13 1HB PRO 13 -17.077 19.033 19.033 95 1HG PRO 13 2HG PRO 13 -14.492 18.071 18.071 96 2HG PRO 13 1HG PRO 13 -15.959 18.618 18.618 97 1HD PRO 13 2HD PRO 13 -13.794 20.206 20.206 98 2HD PRO 13 1HD PRO 13 -15.450 20.846 20.846 99 H MET 14 H MET 14 -12.740 19.654 19.654 100 HA MET 14 HA MET 14 -11.034 18.475 18.475 101 1HB MET 14 2HB MET 14 -12.612 19.421 19.421 102 2HB MET 14 1HB MET 14 -12.610 17.695 17.695 103 1HG MET 14 2HG MET 14 -10.461 17.688 17.688 104 2HG MET 14 1HG MET 14 -9.978 18.851 18.851 105 1HE MET 14 1HE MET 14 -9.330 18.289 18.289 106 2HE MET 14 3HE MET 14 -8.368 19.676 19.676 107 3HE MET 14 2HE MET 14 -9.399 19.794 19.794 108 H SER 15 H SER 15 -12.751 17.147 17.147 109 HA SER 15 HA SER 15 -13.396 15.063 15.063 110 1HB SER 15 2HB SER 15 -10.930 14.683 14.683 111 2HB SER 15 1HB SER 15 -11.338 14.065 14.065 112 HG SER 15 HG SER 15 -11.116 12.469 12.469 113 H ALA 16 H ALA 16 -14.691 16.336 16.336 114 HA ALA 16 HA ALA 16 -16.330 15.941 15.941 115 1HB ALA 16 3HB ALA 16 -16.236 13.287 13.287 116 2HB ALA 16 2HB ALA 16 -17.329 13.584 13.584 117 3HB ALA 16 1HB ALA 16 -17.449 14.563 14.563 118 H ILE 17 H ILE 17 -13.591 15.762 15.762 119 HA ILE 17 HA ILE 17 -13.158 13.604 13.604 120 HB ILE 17 HB ILE 17 -11.718 16.161 16.161 121 1HG1 ILE 17 2HG1 ILE 17 -10.493 13.437 13.437 122 2HG1 ILE 17 1HG1 ILE 17 -11.589 13.846 13.846 123 1HG2 ILE 17 1HG2 ILE 17 -11.443 14.524 14.524 124 2HG2 ILE 17 3HG2 ILE 17 -9.956 15.051 15.051 125 3HG2 ILE 17 2HG2 ILE 17 -11.142 16.243 16.243 126 1HD1 ILE 17 1HD1 ILE 17 -10.072 15.963 15.963 127 2HD1 ILE 17 3HD1 ILE 17 -8.907 14.957 14.957 128 3HD1 ILE 17 2HD1 ILE 17 -9.561 14.419 14.419 129 H GLN 18 H GLN 18 -14.893 13.616 13.616 130 HA GLN 18 HA GLN 18 -15.181 15.995 15.995 131 1HB GLN 18 2HB GLN 18 -17.115 14.553 14.553 132 2HB GLN 18 1HB GLN 18 -17.074 13.749 13.749 133 1HG GLN 18 2HG GLN 18 -17.065 16.436 16.436 134 2HG GLN 18 1HG GLN 18 -18.160 16.330 16.330 135 1HE2 GLN 18 1HE2 GLN 18 -17.433 14.494 14.494 136 2HE2 GLN 18 2HE2 GLN 18 -19.080 14.247 14.247 137 H ASN 19 H ASN 19 -14.213 15.978 15.978 138 HA ASN 19 HA ASN 19 -13.279 15.287 15.287 139 1HB ASN 19 2HB ASN 19 -15.374 13.212 13.212 140 2HB ASN 19 1HB ASN 19 -14.203 12.941 12.941 141 1HD2 ASN 19 2HD2 ASN 19 -16.642 16.220 16.220 142 2HD2 ASN 19 1HD2 ASN 19 -16.023 15.735 15.735 143 H LEU 20 H LEU 20 -11.217 14.729 14.729 144 HA LEU 20 HA LEU 20 -10.061 12.834 12.834 145 1HB LEU 20 2HB LEU 20 -9.060 14.614 14.614 146 2HB LEU 20 1HB LEU 20 -8.047 13.272 13.272 147 HG LEU 20 HG LEU 20 -7.349 15.218 15.218 148 1HD1 LEU 20 3HD1 LEU 20 -7.756 12.908 12.908 149 2HD1 LEU 20 2HD1 LEU 20 -8.962 13.826 13.826 150 3HD1 LEU 20 1HD1 LEU 20 -7.271 14.326 14.326 151 1HD2 LEU 20 1HD2 LEU 20 -10.220 15.484 15.484 152 2HD2 LEU 20 3HD2 LEU 20 -9.369 16.550 16.550 153 3HD2 LEU 20 2HD2 LEU 20 -8.874 16.469 16.469 154 H HIS 21 H HIS 21 -9.225 10.810 10.810 155 HA HIS 21 HA HIS 21 -9.254 9.693 9.693 156 1HB HIS 21 2HB HIS 21 -11.671 9.589 9.589 157 2HB HIS 21 1HB HIS 21 -10.975 8.161 8.161 158 HD1 HIS 21 HD1 HIS 21 -10.364 6.166 6.166 159 HD2 HIS 21 HD2 HIS 21 -12.254 9.336 9.336 160 HE1 HIS 21 HE1 HIS 21 -11.078 5.273 5.273 161 HE2 HIS 21 HE2 HIS 21 -12.291 7.186 7.186 162 H SER 22 H SER 22 -7.710 8.196 8.196 163 HA SER 22 HA SER 22 -6.657 7.027 7.027 164 1HB SER 22 2HB SER 22 -4.469 7.108 7.108 165 2HB SER 22 1HB SER 22 -5.180 8.656 8.656 166 HG SER 22 HG SER 22 -4.557 8.071 8.071 167 H PHE 23 H PHE 23 -6.392 4.856 4.856 168 HA PHE 23 HA PHE 23 -6.891 3.260 3.260 169 1HB PHE 23 2HB PHE 23 -8.313 1.738 1.738 170 2HB PHE 23 1HB PHE 23 -8.955 3.372 3.372 171 HD1 PHE 23 HD2 PHE 23 -8.068 4.713 4.713 172 HD2 PHE 23 HD1 PHE 23 -8.208 0.473 0.473 173 HE1 PHE 23 HE2 PHE 23 -8.065 4.527 4.527 174 HE2 PHE 23 HE1 PHE 23 -8.204 0.278 0.278 175 HZ PHE 23 HZ PHE 23 -8.132 2.307 2.307 176 H ASP 24 H ASP 24 -5.289 1.886 1.886 177 HA ASP 24 HA ASP 24 -3.757 0.864 0.864 178 1HB ASP 24 2HB ASP 24 -2.826 2.077 2.077 179 2HB ASP 24 1HB ASP 24 -1.900 0.719 0.719 180 HA PRO 25 HA PRO 25 -4.879 -3.184 -3.184 181 1HB PRO 25 2HB PRO 25 -2.215 -4.036 -4.036 182 2HB PRO 25 1HB PRO 25 -3.820 -4.603 -4.603 183 1HG PRO 25 2HG PRO 25 -2.358 -3.049 -3.049 184 2HG PRO 25 1HG PRO 25 -4.123 -2.899 -2.899 185 1HD PRO 25 2HD PRO 25 -2.006 -1.161 -1.161 186 2HD PRO 25 1HD PRO 25 -3.571 -0.714 -0.714 187 H PHE 26 H PHE 26 -1.937 -1.605 -1.605 188 HA PHE 26 HA PHE 26 -1.268 -3.587 -3.587 189 1HB PHE 26 2HB PHE 26 0.068 -0.938 -0.938 190 2HB PHE 26 1HB PHE 26 0.759 -2.549 -2.549 191 HD1 PHE 26 HD1 PHE 26 -0.209 -3.808 -3.808 192 HD2 PHE 26 HD2 PHE 26 1.347 0.090 0.090 193 HE1 PHE 26 HE1 PHE 26 0.543 -3.686 -3.686 194 HE2 PHE 26 HE2 PHE 26 2.102 0.218 0.218 195 HZ PHE 26 HZ PHE 26 1.700 -1.672 -1.672 196 H ALA 27 H ALA 27 -2.656 -0.355 -0.355 197 HA ALA 27 HA ALA 27 -2.989 -0.331 -0.331 198 1HB ALA 27 2HB ALA 27 -3.121 1.796 1.796 199 2HB ALA 27 1HB ALA 27 -3.819 2.054 2.054 200 3HB ALA 27 3HB ALA 27 -2.097 1.710 1.710 201 H ASP 28 H ASP 28 -4.555 -2.183 -2.183 202 HA ASP 28 HA ASP 28 -7.237 -1.036 -1.036 203 1HB ASP 28 2HB ASP 28 -6.265 -1.826 -1.826 204 2HB ASP 28 1HB ASP 28 -7.105 -3.273 -3.273 205 H ALA 29 H ALA 29 -5.389 -4.070 -4.070 206 HA ALA 29 HA ALA 29 -6.541 -5.019 -5.019 207 1HB ALA 29 3HB ALA 29 -7.525 -6.008 -6.008 208 2HB ALA 29 2HB ALA 29 -7.261 -7.199 -7.199 209 3HB ALA 29 1HB ALA 29 -8.365 -5.849 -5.849 210 H SER 30 H SER 30 -4.489 -5.320 -5.320 211 HA SER 30 HA SER 30 -3.121 -7.693 -7.693 212 1HB SER 30 2HB SER 30 -0.904 -6.389 -6.389 213 2HB SER 30 1HB SER 30 -2.020 -6.281 -6.281 214 HG SER 30 HG SER 30 -2.752 -4.285 -4.285 215 H LYS 31 H LYS 31 -3.083 -8.653 -8.653 216 HA LYS 31 HA LYS 31 -1.345 -7.661 -7.661 217 1HB LYS 31 2HB LYS 31 -3.108 -7.598 -7.598 218 2HB LYS 31 1HB LYS 31 -3.172 -6.273 -6.273 219 1HG LYS 31 2HG LYS 31 -5.113 -7.037 -7.037 220 2HG LYS 31 1HG LYS 31 -4.849 -8.699 -8.699 221 1HD LYS 31 2HD LYS 31 -5.028 -7.148 -7.148 222 2HD LYS 31 1HD LYS 31 -6.324 -6.588 -6.588 223 1HE LYS 31 2HE LYS 31 -5.913 -9.518 -9.518 224 2HE LYS 31 1HE LYS 31 -6.657 -8.632 -8.632 225 1HZ LYS 31 3HZ LYS 31 -8.279 -7.755 -7.755 226 2HZ LYS 31 2HZ LYS 31 -7.628 -8.808 -8.808 227 3HZ LYS 31 1HZ LYS 31 -8.375 -9.429 -9.429 228 H GLY 32 H GLY 32 -0.921 -9.208 -9.208 229 1HA GLY 32 2HA GLY 32 -2.255 -11.807 -11.807 230 2HA GLY 32 1HA GLY 32 -0.512 -11.736 -11.736 231 H ASP 33 H ASP 33 -0.309 -13.204 -13.204 232 HA ASP 33 HA ASP 33 -1.051 -12.187 -12.187 233 1HB ASP 33 2HB ASP 33 -0.245 -14.429 -14.429 234 2HB ASP 33 1HB ASP 33 -1.576 -14.505 -14.505 235 H ASP 34 H ASP 34 0.335 -10.809 -10.809 236 HA ASP 34 HA ASP 34 3.201 -11.470 -11.470 237 1HB ASP 34 2HB ASP 34 1.956 -8.727 -8.727 238 2HB ASP 34 1HB ASP 34 3.679 -9.020 -9.020 239 H LEU 35 H LEU 35 1.567 -12.306 -12.306 240 HA LEU 35 HA LEU 35 2.334 -10.511 -10.511 241 1HB LEU 35 2HB LEU 35 -0.218 -11.652 -11.652 242 2HB LEU 35 1HB LEU 35 0.295 -12.243 -12.243 243 HG LEU 35 HG LEU 35 -1.083 -10.261 -10.261 244 1HD1 LEU 35 2HD1 LEU 35 0.738 -10.645 -10.645 245 2HD1 LEU 35 1HD1 LEU 35 1.807 -9.657 -9.657 246 3HD1 LEU 35 3HD1 LEU 35 0.401 -8.928 -8.928 247 1HD2 LEU 35 3HD2 LEU 35 0.806 -9.167 -9.167 248 2HD2 LEU 35 2HD2 LEU 35 -0.938 -8.953 -8.953 249 3HD2 LEU 35 1HD2 LEU 35 0.155 -8.069 -8.069 250 H LEU 36 H LEU 36 2.590 -11.691 -11.691 251 HA LEU 36 HA LEU 36 3.769 -14.357 -14.357 252 1HB LEU 36 2HB LEU 36 4.844 -11.996 -11.996 253 2HB LEU 36 1HB LEU 36 5.320 -13.622 -13.622 254 HG LEU 36 HG LEU 36 6.988 -12.637 -12.637 255 1HD1 LEU 36 1HD1 LEU 36 5.976 -15.111 -15.111 256 2HD1 LEU 36 3HD1 LEU 36 5.728 -14.508 -14.508 257 3HD1 LEU 36 2HD1 LEU 36 7.346 -14.515 -14.515 258 1HD2 LEU 36 3HD2 LEU 36 5.083 -11.220 -11.220 259 2HD2 LEU 36 2HD2 LEU 36 6.581 -11.614 -11.614 260 3HD2 LEU 36 1HD2 LEU 36 5.121 -12.552 -12.552 261 HA PRO 37 HA PRO 37 1.341 -16.049 -16.049 262 1HB PRO 37 2HB PRO 37 3.879 -16.945 -16.945 263 2HB PRO 37 1HB PRO 37 2.445 -17.882 -17.882 264 1HG PRO 37 2HG PRO 37 4.660 -18.043 -18.043 265 2HG PRO 37 1HG PRO 37 3.061 -18.037 -18.037 266 1HD PRO 37 2HD PRO 37 5.082 -15.848 -15.848 267 2HD PRO 37 1HD PRO 37 3.978 -16.255 -16.255 268 H ALA 38 H ALA 38 0.460 -14.506 -14.506 269 HA ALA 38 HA ALA 38 2.166 -13.248 -13.248 270 1HB ALA 38 2HB ALA 38 1.007 -11.774 -11.774 271 2HB ALA 38 1HB ALA 38 -0.510 -12.228 -12.228 272 3HB ALA 38 3HB ALA 38 0.730 -11.372 -11.372 273 H GLY 39 H GLY 39 1.663 -13.432 -13.432 274 1HA GLY 39 2HA GLY 39 -0.721 -15.054 -15.054 275 2HA GLY 39 1HA GLY 39 0.797 -15.160 -15.160 276 H THR 40 H THR 40 0.471 -14.406 -14.406 277 HA THR 40 HA THR 40 -0.880 -11.803 -11.803 278 HB THR 40 HB THR 40 -1.502 -12.799 -12.799 279 HG1 THR 40 HG1 THR 40 -1.514 -14.917 -14.917 280 1HG2 THR 40 2HG2 THR 40 -2.901 -13.321 -13.321 281 2HG2 THR 40 1HG2 THR 40 -3.559 -13.915 -13.915 282 3HG2 THR 40 3HG2 THR 40 -3.312 -12.187 -12.187 283 H GLU 41 H GLU 41 1.458 -14.081 -14.081 284 HA GLU 41 HA GLU 41 3.388 -13.758 -13.758 285 1HB GLU 41 2HB GLU 41 3.084 -11.389 -11.389 286 2HB GLU 41 1HB GLU 41 3.773 -10.959 -10.959 287 1HG GLU 41 2HG GLU 41 4.855 -13.066 -13.066 288 2HG GLU 41 1HG GLU 41 5.480 -11.426 -11.426 289 H ASP 42 H ASP 42 0.529 -13.048 -13.048 290 HA ASP 42 HA ASP 42 -0.405 -12.382 -12.382 291 1HB ASP 42 2HB ASP 42 1.594 -14.150 -14.150 292 2HB ASP 42 1HB ASP 42 2.073 -12.779 -12.779 293 H TYR 43 H TYR 43 0.088 -10.205 -10.205 294 HA TYR 43 HA TYR 43 1.971 -8.405 -8.405 295 1HB TYR 43 2HB TYR 43 -0.736 -7.768 -7.768 296 2HB TYR 43 1HB TYR 43 0.611 -6.647 -6.647 297 HD1 TYR 43 HD1 TYR 43 2.755 -8.757 -8.757 298 HD2 TYR 43 HD2 TYR 43 -0.935 -7.513 -7.513 299 HE1 TYR 43 HE1 TYR 43 3.579 -9.400 -9.400 300 HE2 TYR 43 HE2 TYR 43 -0.120 -8.160 -8.160 301 HH TYR 43 HH TYR 43 2.536 -8.399 -8.399 302 H ILE 44 H ILE 44 1.434 -6.386 -6.386 303 HA ILE 44 HA ILE 44 -0.421 -6.977 -6.977 304 HB ILE 44 HB ILE 44 2.137 -5.370 -5.370 305 1HG1 ILE 44 2HG1 ILE 44 2.577 -7.761 -7.761 306 2HG1 ILE 44 1HG1 ILE 44 2.923 -7.196 -7.196 307 1HG2 ILE 44 1HG2 ILE 44 0.084 -6.025 -6.025 308 2HG2 ILE 44 3HG2 ILE 44 1.691 -5.394 -5.394 309 3HG2 ILE 44 2HG2 ILE 44 0.555 -4.428 -4.428 310 1HD1 ILE 44 1HD1 ILE 44 0.371 -7.959 -7.959 311 2HD1 ILE 44 3HD1 ILE 44 0.883 -9.077 -9.077 312 3HD1 ILE 44 2HD1 ILE 44 1.754 -9.020 -9.020 313 H HIS 45 H HIS 45 -2.200 -5.862 -5.862 314 HA HIS 45 HA HIS 45 -2.313 -3.470 -3.470 315 1HB HIS 45 2HB HIS 45 -4.151 -5.271 -5.271 316 2HB HIS 45 1HB HIS 45 -4.606 -3.617 -3.617 317 HD1 HIS 45 HD1 HIS 45 -3.622 -5.537 -5.537 318 HD2 HIS 45 HD2 HIS 45 -6.226 -2.563 -2.563 319 HE1 HIS 45 HE1 HIS 45 -4.993 -4.936 -4.936 320 HE2 HIS 45 HE2 HIS 45 -6.498 -3.067 -3.067 321 H ILE 46 H ILE 46 -2.466 -1.389 -1.389 322 HA ILE 46 HA ILE 46 -2.429 -0.550 -0.550 323 HB ILE 46 HB ILE 46 -0.363 0.093 0.093 324 1HG1 ILE 46 2HG1 ILE 46 1.034 0.083 0.083 325 2HG1 ILE 46 1HG1 ILE 46 -0.404 -0.542 -0.542 326 1HG2 ILE 46 3HG2 ILE 46 -1.528 1.984 1.984 327 2HG2 ILE 46 2HG2 ILE 46 0.219 2.025 2.025 328 3HG2 ILE 46 1HG2 ILE 46 -0.893 2.293 2.293 329 1HD1 ILE 46 2HD1 ILE 46 0.361 -1.979 -1.979 330 2HD1 ILE 46 1HD1 ILE 46 1.543 -2.052 -2.052 331 3HD1 ILE 46 3HD1 ILE 46 -0.115 -2.587 -2.587 332 H ARG 47 H ARG 47 -4.377 0.434 0.434 333 HA ARG 47 HA ARG 47 -4.903 2.454 2.454 334 1HB ARG 47 2HB ARG 47 -6.331 0.447 0.447 335 2HB ARG 47 1HB ARG 47 -6.963 0.724 0.724 336 1HG ARG 47 2HG ARG 47 -7.684 3.013 3.013 337 2HG ARG 47 1HG ARG 47 -7.365 2.373 2.373 338 1HD ARG 47 2HD ARG 47 -8.895 0.461 0.461 339 2HD ARG 47 1HD ARG 47 -9.334 1.346 1.346 340 HE ARG 47 HE ARG 47 -9.775 3.140 3.140 341 1HH1 ARG 47 2HH1 ARG 47 -10.819 -0.146 -0.146 342 2HH1 ARG 47 1HH1 ARG 47 -12.321 0.061 0.061 343 1HH2 ARG 47 1HH2 ARG 47 -11.752 3.415 3.415 344 2HH2 ARG 47 2HH2 ARG 47 -12.851 2.082 2.082 345 H ILE 48 H ILE 48 -5.842 4.345 4.345 346 HA ILE 48 HA ILE 48 -5.749 5.034 5.034 347 HB ILE 48 HB ILE 48 -5.548 6.605 6.605 348 1HG1 ILE 48 2HG1 ILE 48 -4.038 6.709 6.709 349 2HG1 ILE 48 1HG1 ILE 48 -3.514 5.867 5.867 350 1HG2 ILE 48 2HG2 ILE 48 -6.649 7.634 7.634 351 2HG2 ILE 48 1HG2 ILE 48 -5.708 8.690 8.690 352 3HG2 ILE 48 3HG2 ILE 48 -7.190 7.941 7.941 353 1HD1 ILE 48 3HD1 ILE 48 -3.406 8.006 8.006 354 2HD1 ILE 48 2HD1 ILE 48 -3.901 8.836 8.836 355 3HD1 ILE 48 1HD1 ILE 48 -2.360 7.978 7.978 356 H GLN 49 H GLN 49 -7.490 6.116 6.116 357 HA GLN 49 HA GLN 49 -10.018 6.235 6.235 358 1HB GLN 49 2HB GLN 49 -11.249 5.068 5.068 359 2HB GLN 49 1HB GLN 49 -9.952 4.036 4.036 360 1HG GLN 49 2HG GLN 49 -8.675 5.109 5.109 361 2HG GLN 49 1HG GLN 49 -10.321 5.322 5.322 362 1HE2 GLN 49 2HE2 GLN 49 -10.239 2.124 2.124 363 2HE2 GLN 49 1HE2 GLN 49 -10.524 3.815 3.815 364 H GLN 50 H GLN 50 -9.856 8.473 8.473 365 HA GLN 50 HA GLN 50 -9.733 9.784 9.784 366 1HB GLN 50 2HB GLN 50 -8.845 10.477 10.477 367 2HB GLN 50 1HB GLN 50 -10.187 11.565 11.565 368 1HG GLN 50 2HG GLN 50 -9.128 12.505 12.505 369 2HG GLN 50 1HG GLN 50 -7.987 11.169 11.169 370 1HE2 GLN 50 2HE2 GLN 50 -5.847 13.635 13.635 371 2HE2 GLN 50 1HE2 GLN 50 -6.475 13.007 13.007 372 H ARG 51 H ARG 51 -11.676 9.405 9.405 373 HA ARG 51 HA ARG 51 -14.193 9.401 9.401 374 1HB ARG 51 2HB ARG 51 -13.606 10.349 10.349 375 2HB ARG 51 1HB ARG 51 -15.100 9.637 9.637 376 1HG ARG 51 2HG ARG 51 -13.175 7.729 7.729 377 2HG ARG 51 1HG ARG 51 -12.712 8.358 8.358 378 1HD ARG 51 2HD ARG 51 -14.183 6.537 6.537 379 2HD ARG 51 1HD ARG 51 -15.094 8.010 8.010 380 HE ARG 51 HE ARG 51 -15.501 7.253 7.253 381 1HH1 ARG 51 2HH1 ARG 51 -16.310 6.226 6.226 382 2HH1 ARG 51 1HH1 ARG 51 -17.788 5.462 5.462 383 1HH2 ARG 51 1HH2 ARG 51 -17.444 6.249 6.249 384 2HH2 ARG 51 2HH2 ARG 51 -18.433 5.475 5.475 385 H ASN 52 H ASN 52 -12.253 12.059 12.059 386 HA ASN 52 HA ASN 52 -14.190 13.935 13.935 387 1HB ASN 52 2HB ASN 52 -13.814 13.753 13.753 388 2HB ASN 52 1HB ASN 52 -12.543 14.903 14.903 389 1HD2 ASN 52 2HD2 ASN 52 -15.102 17.238 17.238 390 2HD2 ASN 52 1HD2 ASN 52 -13.755 16.406 16.406 391 H GLY 53 H GLY 53 -12.400 16.197 16.197 392 1HA GLY 53 2HA GLY 53 -10.580 15.878 15.878 393 2HA GLY 53 1HA GLY 53 -10.965 17.382 17.382 394 H ARG 54 H ARG 54 -9.922 14.389 14.389 395 HA ARG 54 HA ARG 54 -7.209 14.793 14.793 396 1HB ARG 54 2HB ARG 54 -7.075 15.737 15.737 397 2HB ARG 54 1HB ARG 54 -7.410 16.871 16.871 398 1HG ARG 54 2HG ARG 54 -9.860 16.592 16.592 399 2HG ARG 54 1HG ARG 54 -9.320 15.759 15.759 400 1HD ARG 54 2HD ARG 54 -9.784 18.165 18.165 401 2HD ARG 54 1HD ARG 54 -8.123 17.711 17.711 402 HE ARG 54 HE ARG 54 -8.463 18.680 18.680 403 1HH1 ARG 54 2HH1 ARG 54 -7.936 19.614 19.614 404 2HH1 ARG 54 1HH1 ARG 54 -7.196 21.124 21.124 405 1HH2 ARG 54 1HH2 ARG 54 -7.489 20.665 20.665 406 2HH2 ARG 54 2HH2 ARG 54 -6.941 21.721 21.721 407 H LYS 55 H LYS 55 -10.135 13.669 13.669 408 HA LYS 55 HA LYS 55 -8.944 11.943 11.943 409 1HB LYS 55 2HB LYS 55 -11.387 12.773 12.773 410 2HB LYS 55 1HB LYS 55 -11.618 11.440 11.440 411 1HG LYS 55 2HG LYS 55 -12.311 10.770 10.770 412 2HG LYS 55 1HG LYS 55 -10.861 9.874 9.874 413 1HD LYS 55 2HD LYS 55 -10.778 10.662 10.662 414 2HD LYS 55 1HD LYS 55 -9.490 11.359 11.359 415 1HE LYS 55 2HE LYS 55 -10.436 13.460 13.460 416 2HE LYS 55 1HE LYS 55 -12.062 12.841 12.841 417 1HZ LYS 55 2HZ LYS 55 -10.084 12.414 12.414 418 2HZ LYS 55 1HZ LYS 55 -10.642 13.995 13.995 419 3HZ LYS 55 3HZ LYS 55 -11.738 12.752 12.752 420 H THR 56 H THR 56 -7.267 11.271 11.271 421 HA THR 56 HA THR 56 -8.111 9.213 9.213 422 HB THR 56 HB THR 56 -5.240 9.487 9.487 423 HG1 THR 56 HG1 THR 56 -5.201 11.563 11.563 424 1HG2 THR 56 3HG2 THR 56 -7.072 9.243 9.243 425 2HG2 THR 56 2HG2 THR 56 -5.735 10.356 10.356 426 3HG2 THR 56 1HG2 THR 56 -5.406 8.688 8.688 427 H LEU 57 H LEU 57 -7.398 7.041 7.041 428 HA LEU 57 HA LEU 57 -6.160 6.046 6.046 429 1HB LEU 57 2HB LEU 57 -9.022 5.819 5.819 430 2HB LEU 57 1HB LEU 57 -8.255 4.289 4.289 431 HG LEU 57 HG LEU 57 -8.085 6.724 6.724 432 1HD1 LEU 57 1HD1 LEU 57 -10.392 5.442 5.442 433 2HD1 LEU 57 3HD1 LEU 57 -9.723 4.399 4.399 434 3HD1 LEU 57 2HD1 LEU 57 -9.959 6.118 6.118 435 1HD2 LEU 57 2HD2 LEU 57 -7.214 3.867 3.867 436 2HD2 LEU 57 1HD2 LEU 57 -6.291 5.340 5.340 437 3HD2 LEU 57 3HD2 LEU 57 -7.546 4.842 4.842 438 H THR 58 H THR 58 -4.596 5.684 5.684 439 HA THR 58 HA THR 58 -4.989 4.007 4.007 440 HB THR 58 HB THR 58 -2.513 4.266 4.266 441 HG1 THR 58 HG1 THR 58 -3.567 6.154 6.154 442 1HG2 THR 58 3HG2 THR 58 -2.989 2.882 2.882 443 2HG2 THR 58 2HG2 THR 58 -1.524 3.854 3.854 444 3HG2 THR 58 1HG2 THR 58 -1.821 2.545 2.545 445 H THR 59 H THR 59 -4.920 1.821 1.821 446 HA THR 59 HA THR 59 -4.814 0.094 0.094 447 HB THR 59 HB THR 59 -6.362 -1.324 -1.324 448 HG1 THR 59 HG1 THR 59 -7.309 -0.010 -0.010 449 1HG2 THR 59 2HG2 THR 59 -6.692 -0.593 -0.593 450 2HG2 THR 59 1HG2 THR 59 -7.791 0.574 0.574 451 3HG2 THR 59 3HG2 THR 59 -8.040 -1.154 -1.154 452 H VAL 60 H VAL 60 -4.133 -2.107 -2.107 453 HA VAL 60 HA VAL 60 -2.550 -2.461 -2.461 454 HB VAL 60 HB VAL 60 -1.625 -3.217 -3.217 455 1HG1 VAL 60 2HG1 VAL 60 -0.937 -4.683 -4.683 456 2HG1 VAL 60 1HG1 VAL 60 -0.004 -3.293 -3.293 457 3HG1 VAL 60 3HG1 VAL 60 0.354 -4.034 -4.034 458 1HG2 VAL 60 1HG2 VAL 60 -1.067 -0.891 -0.891 459 2HG2 VAL 60 3HG2 VAL 60 -1.295 -0.944 -0.944 460 3HG2 VAL 60 2HG2 VAL 60 0.219 -1.510 -1.510 461 H GLN 61 H GLN 61 -3.127 -4.222 -4.222 462 HA GLN 61 HA GLN 61 -4.241 -6.484 -6.484 463 1HB GLN 61 2HB GLN 61 -4.979 -6.459 -6.459 464 2HB GLN 61 1HB GLN 61 -5.995 -6.636 -6.636 465 1HG GLN 61 2HG GLN 61 -6.304 -4.331 -4.331 466 2HG GLN 61 1HG GLN 61 -4.951 -3.968 -3.968 467 1HE2 GLN 61 2HE2 GLN 61 -8.048 -5.618 -5.618 468 2HE2 GLN 61 1HE2 GLN 61 -7.296 -6.444 -6.444 469 H GLY 62 H GLY 62 -3.490 -8.507 -8.507 470 1HA GLY 62 2HA GLY 62 -2.434 -10.029 -10.029 471 2HA GLY 62 1HA GLY 62 -1.390 -8.689 -8.689 472 H ILE 63 H ILE 63 -1.057 -7.831 -7.831 473 HA ILE 63 HA ILE 63 1.310 -9.145 -9.145 474 HB ILE 63 HB ILE 63 -0.527 -7.520 -7.520 475 1HG1 ILE 63 2HG1 ILE 63 0.297 -6.103 -6.103 476 2HG1 ILE 63 1HG1 ILE 63 1.426 -5.856 -5.856 477 1HG2 ILE 63 1HG2 ILE 63 1.871 -9.018 -9.018 478 2HG2 ILE 63 3HG2 ILE 63 1.976 -7.309 -7.309 479 3HG2 ILE 63 2HG2 ILE 63 0.650 -8.294 -8.294 480 1HD1 ILE 63 3HD1 ILE 63 2.879 -7.605 -7.605 481 2HD1 ILE 63 2HD1 ILE 63 1.830 -7.371 -7.371 482 3HD1 ILE 63 1HD1 ILE 63 2.755 -6.015 -6.015 483 H ALA 64 H ALA 64 1.884 -10.702 -10.702 484 HA ALA 64 HA ALA 64 -0.127 -12.705 -12.705 485 1HB ALA 64 1HB ALA 64 2.377 -12.998 -12.998 486 2HB ALA 64 3HB ALA 64 2.661 -12.934 -12.934 487 3HB ALA 64 2HB ALA 64 1.602 -14.172 -14.172 488 H ASP 65 H ASP 65 -1.083 -13.181 -13.181 489 HA ASP 65 HA ASP 65 -1.056 -11.358 -11.358 490 1HB ASP 65 2HB ASP 65 -2.275 -14.005 -14.005 491 2HB ASP 65 1HB ASP 65 -2.108 -13.560 -13.560 492 H ASP 66 H ASP 66 1.037 -13.945 -13.945 493 HA ASP 66 HA ASP 66 1.907 -14.675 -14.675 494 1HB ASP 66 2HB ASP 66 2.285 -15.927 -15.927 495 2HB ASP 66 1HB ASP 66 3.606 -14.797 -14.797 496 H TYR 67 H TYR 67 2.619 -12.000 -12.000 497 HA TYR 67 HA TYR 67 5.114 -11.174 -11.174 498 1HB TYR 67 2HB TYR 67 2.638 -9.560 -9.560 499 2HB TYR 67 1HB TYR 67 4.208 -8.818 -8.818 500 HD1 TYR 67 HD2 TYR 67 4.388 -12.007 -12.007 501 HD2 TYR 67 HD1 TYR 67 3.782 -7.843 -7.843 502 HE1 TYR 67 HE2 TYR 67 4.934 -12.289 -12.289 503 HE2 TYR 67 HE1 TYR 67 4.323 -8.110 -8.110 504 HH TYR 67 HH TYR 67 4.154 -10.472 -10.472 505 H ASP 68 H ASP 68 5.620 -9.273 -9.273 506 HA ASP 68 HA ASP 68 4.628 -9.872 -9.872 507 1HB ASP 68 2HB ASP 68 6.939 -8.436 -8.436 508 2HB ASP 68 1HB ASP 68 6.323 -7.775 -7.775 509 H LYS 69 H LYS 69 2.454 -9.141 -9.141 510 HA LYS 69 HA LYS 69 1.408 -6.842 -6.842 511 1HB LYS 69 2HB LYS 69 0.733 -8.650 -8.650 512 2HB LYS 69 1HB LYS 69 0.054 -7.036 -7.036 513 1HG LYS 69 2HG LYS 69 -0.439 -7.717 -7.717 514 2HG LYS 69 1HG LYS 69 -0.725 -9.208 -9.208 515 1HD LYS 69 2HD LYS 69 -1.964 -6.518 -6.518 516 2HD LYS 69 1HD LYS 69 -2.770 -7.887 -7.887 517 1HE LYS 69 2HE LYS 69 -3.390 -8.554 -8.554 518 2HE LYS 69 1HE LYS 69 -1.696 -8.910 -8.910 519 1HZ LYS 69 1HZ LYS 69 -3.012 -6.292 -6.292 520 2HZ LYS 69 3HZ LYS 69 -2.698 -7.457 -7.457 521 3HZ LYS 69 2HZ LYS 69 -1.416 -6.696 -6.696 522 H LYS 70 H LYS 70 3.080 -7.179 -7.179 523 HA LYS 70 HA LYS 70 2.642 -4.553 -4.553 524 1HB LYS 70 2HB LYS 70 4.572 -6.732 -6.732 525 2HB LYS 70 1HB LYS 70 4.917 -5.112 -5.112 526 1HG LYS 70 2HG LYS 70 3.738 -5.944 -5.944 527 2HG LYS 70 1HG LYS 70 2.423 -5.236 -5.236 528 1HD LYS 70 2HD LYS 70 2.217 -7.550 -7.550 529 2HD LYS 70 1HD LYS 70 3.212 -8.123 -8.123 530 1HE LYS 70 2HE LYS 70 1.104 -8.462 -8.462 531 2HE LYS 70 1HE LYS 70 1.454 -6.846 -6.846 532 1HZ LYS 70 3HZ LYS 70 0.192 -6.966 -6.966 533 2HZ LYS 70 2HZ LYS 70 -0.768 -7.470 -7.470 534 3HZ LYS 70 1HZ LYS 70 -0.097 -5.917 -5.917 535 H LYS 71 H LYS 71 5.736 -5.883 -5.883 536 HA LYS 71 HA LYS 71 6.954 -3.408 -3.408 537 1HB LYS 71 2HB LYS 71 7.523 -6.208 -6.208 538 2HB LYS 71 1HB LYS 71 8.172 -5.101 -5.101 539 1HG LYS 71 2HG LYS 71 9.885 -5.398 -5.398 540 2HG LYS 71 1HG LYS 71 9.189 -3.817 -3.817 541 1HD LYS 71 2HD LYS 71 7.800 -4.906 -4.906 542 2HD LYS 71 1HD LYS 71 8.673 -6.409 -6.409 543 1HE LYS 71 2HE LYS 71 10.774 -4.862 -4.862 544 2HE LYS 71 1HE LYS 71 9.609 -3.887 -3.887 545 1HZ LYS 71 2HZ LYS 71 9.046 -6.180 -6.180 546 2HZ LYS 71 1HZ LYS 71 10.612 -6.583 -6.583 547 3HZ LYS 71 3HZ LYS 71 10.366 -5.277 -5.277 548 H LEU 72 H LEU 72 4.571 -5.037 -5.037 549 HA LEU 72 HA LEU 72 5.185 -4.050 -4.050 550 1HB LEU 72 2HB LEU 72 3.514 -5.896 -5.896 551 2HB LEU 72 1HB LEU 72 2.375 -4.568 -4.568 552 HG LEU 72 HG LEU 72 3.842 -5.428 -5.428 553 1HD1 LEU 72 1HD1 LEU 72 1.759 -6.697 -6.697 554 2HD1 LEU 72 3HD1 LEU 72 0.895 -5.446 -5.446 555 3HD1 LEU 72 2HD1 LEU 72 1.986 -6.541 -6.541 556 1HD2 LEU 72 1HD2 LEU 72 1.924 -3.171 -3.171 557 2HD2 LEU 72 3HD2 LEU 72 3.561 -3.074 -3.074 558 3HD2 LEU 72 2HD2 LEU 72 2.269 -3.784 -3.784 559 H VAL 73 H VAL 73 2.458 -2.993 -2.993 560 HA VAL 73 HA VAL 73 2.388 -0.458 -0.458 561 HB VAL 73 HB VAL 73 0.543 0.004 0.004 562 1HG1 VAL 73 1HG1 VAL 73 0.340 -1.890 -1.890 563 2HG1 VAL 73 3HG1 VAL 73 -1.076 -1.346 -1.346 564 3HG1 VAL 73 2HG1 VAL 73 -0.061 -0.174 -0.174 565 1HG2 VAL 73 1HG2 VAL 73 1.247 -2.047 -2.047 566 2HG2 VAL 73 3HG2 VAL 73 -0.478 -1.873 -1.873 567 3HG2 VAL 73 2HG2 VAL 73 0.489 -3.002 -3.002 568 H LYS 74 H LYS 74 3.179 -1.602 -1.602 569 HA LYS 74 HA LYS 74 3.427 0.793 0.793 570 1HB LYS 74 2HB LYS 74 3.777 -1.606 -1.606 571 2HB LYS 74 1HB LYS 74 5.446 -1.411 -1.411 572 1HG LYS 74 2HG LYS 74 5.507 -0.853 -0.853 573 2HG LYS 74 1HG LYS 74 5.431 0.715 0.715 574 1HD LYS 74 2HD LYS 74 3.541 1.218 1.218 575 2HD LYS 74 1HD LYS 74 2.774 -0.257 -0.257 576 1HE LYS 74 2HE LYS 74 4.698 -0.487 -0.487 577 2HE LYS 74 1HE LYS 74 3.117 0.219 0.219 578 1HZ LYS 74 1HZ LYS 74 2.344 -1.899 -1.899 579 2HZ LYS 74 3HZ LYS 74 3.810 -2.516 -2.516 580 3HZ LYS 74 2HZ LYS 74 2.639 -1.960 -1.960 581 H ALA 75 H ALA 75 5.768 -0.768 -0.768 582 HA ALA 75 HA ALA 75 7.862 1.091 1.091 583 1HB ALA 75 3HB ALA 75 7.262 -0.826 -0.826 584 2HB ALA 75 2HB ALA 75 8.697 0.199 0.199 585 3HB ALA 75 1HB ALA 75 8.447 -0.994 -0.994 586 H PHE 76 H PHE 76 5.075 1.031 1.031 587 HA PHE 76 HA PHE 76 5.814 3.035 3.035 588 1HB PHE 76 2HB PHE 76 3.745 1.439 1.439 589 2HB PHE 76 1HB PHE 76 2.981 2.735 2.735 590 HD1 PHE 76 HD2 PHE 76 4.497 1.836 1.836 591 HD2 PHE 76 HD1 PHE 76 2.274 4.738 4.738 592 HE1 PHE 76 HE2 PHE 76 3.969 3.000 3.000 593 HE2 PHE 76 HE1 PHE 76 1.738 5.906 5.906 594 HZ PHE 76 HZ PHE 76 2.588 5.036 5.036 595 H LYS 77 H LYS 77 4.062 3.240 3.240 596 HA LYS 77 HA LYS 77 3.695 6.034 6.034 597 1HB LYS 77 2HB LYS 77 3.900 4.226 4.226 598 2HB LYS 77 1HB LYS 77 3.129 5.805 5.805 599 1HG LYS 77 2HG LYS 77 1.216 4.915 4.915 600 2HG LYS 77 1HG LYS 77 2.013 4.067 4.067 601 1HD LYS 77 2HD LYS 77 1.576 2.163 2.163 602 2HD LYS 77 1HD LYS 77 2.743 2.662 2.662 603 1HE LYS 77 2HE LYS 77 0.534 4.059 4.059 604 2HE LYS 77 1HE LYS 77 -0.190 2.592 2.592 605 1HZ LYS 77 2HZ LYS 77 1.966 2.608 2.608 606 2HZ LYS 77 1HZ LYS 77 0.320 2.478 2.478 607 3HZ LYS 77 3HZ LYS 77 1.085 1.269 1.269 608 H LYS 78 H LYS 78 6.503 4.181 4.181 609 HA LYS 78 HA LYS 78 7.828 6.291 6.291 610 1HB LYS 78 2HB LYS 78 8.677 3.480 3.480 611 2HB LYS 78 1HB LYS 78 9.702 4.628 4.628 612 1HG LYS 78 2HG LYS 78 7.629 4.769 4.769 613 2HG LYS 78 1HG LYS 78 7.289 3.174 3.174 614 1HD LYS 78 2HD LYS 78 8.606 2.593 2.593 615 2HD LYS 78 1HD LYS 78 9.835 2.770 2.770 616 1HE LYS 78 2HE LYS 78 9.100 5.161 5.161 617 2HE LYS 78 1HE LYS 78 10.093 3.915 3.915 618 1HZ LYS 78 2HZ LYS 78 11.463 4.151 4.151 619 2HZ LYS 78 1HZ LYS 78 10.725 5.671 5.671 620 3HZ LYS 78 3HZ LYS 78 11.673 5.265 5.265 621 H LYS 79 H LYS 79 7.567 5.026 5.026 622 HA LYS 79 HA LYS 79 10.067 6.279 6.279 623 1HB LYS 79 2HB LYS 79 8.990 3.930 3.930 624 2HB LYS 79 1HB LYS 79 8.296 4.969 4.969 625 1HG LYS 79 2HG LYS 79 10.799 5.793 5.793 626 2HG LYS 79 1HG LYS 79 11.119 4.192 4.192 627 1HD LYS 79 2HD LYS 79 10.409 3.122 3.122 628 2HD LYS 79 1HD LYS 79 9.174 4.334 4.334 629 1HE LYS 79 2HE LYS 79 12.136 4.529 4.529 630 2HE LYS 79 1HE LYS 79 10.842 4.444 4.444 631 1HZ LYS 79 1HZ LYS 79 10.092 6.594 6.594 632 2HZ LYS 79 3HZ LYS 79 11.765 6.705 6.705 633 3HZ LYS 79 2HZ LYS 79 11.125 6.666 6.666 634 H PHE 80 H PHE 80 6.583 6.610 6.610 635 HA PHE 80 HA PHE 80 7.063 9.084 9.084 636 1HB PHE 80 2HB PHE 80 4.505 7.503 7.503 637 2HB PHE 80 1HB PHE 80 5.088 8.735 8.735 638 HD1 PHE 80 HD2 PHE 80 6.774 8.213 8.213 639 HD2 PHE 80 HD1 PHE 80 5.307 5.237 5.237 640 HE1 PHE 80 HE2 PHE 80 7.749 6.461 6.461 641 HE2 PHE 80 HE1 PHE 80 6.278 3.480 3.480 642 HZ PHE 80 HZ PHE 80 7.501 4.092 4.092 643 H ALA 81 H ALA 81 5.694 7.733 7.733 644 HA ALA 81 HA ALA 81 4.772 8.752 8.752 645 1HB ALA 81 1HB ALA 81 6.184 10.765 10.765 646 2HB ALA 81 3HB ALA 81 4.577 11.412 11.412 647 3HB ALA 81 2HB ALA 81 5.035 10.993 10.993 648 H CYS 82 H CYS 82 3.267 7.582 7.582 649 HA CYS 82 HA CYS 82 0.774 9.143 9.143 650 1HB CYS 82 2HB CYS 82 1.858 7.169 7.169 651 2HB CYS 82 1HB CYS 82 0.126 7.469 7.469 652 HG CYS 82 HG CYS 82 2.229 9.430 9.430 653 H ASN 83 H ASN 83 -1.141 7.342 7.342 654 HA ASN 83 HA ASN 83 -0.896 5.537 5.537 655 1HB ASN 83 2HB ASN 83 -2.705 6.793 6.793 656 2HB ASN 83 1HB ASN 83 -3.090 7.219 7.219 657 1HD2 ASN 83 2HD2 ASN 83 -5.195 4.438 4.438 658 2HD2 ASN 83 1HD2 ASN 83 -4.108 5.540 5.540 659 H GLY 84 H GLY 84 -0.821 3.425 3.425 660 1HA GLY 84 2HA GLY 84 -1.886 2.425 2.425 661 2HA GLY 84 1HA GLY 84 -0.413 1.803 1.803 662 H THR 85 H THR 85 -3.577 1.140 1.140 663 HA THR 85 HA THR 85 -3.758 -0.505 -0.505 664 HB THR 85 HB THR 85 -6.191 -0.385 -0.385 665 HG1 THR 85 HG1 THR 85 -5.633 1.231 1.231 666 1HG2 THR 85 1HG2 THR 85 -4.570 1.771 1.771 667 2HG2 THR 85 3HG2 THR 85 -5.872 2.450 2.450 668 3HG2 THR 85 2HG2 THR 85 -6.250 1.488 1.488 669 H VAL 86 H VAL 86 -4.979 -2.542 -2.542 670 HA VAL 86 HA VAL 86 -4.486 -3.729 -3.729 671 HB VAL 86 HB VAL 86 -3.078 -4.693 -4.693 672 1HG1 VAL 86 1HG1 VAL 86 -5.285 -4.363 -4.363 673 2HG1 VAL 86 3HG1 VAL 86 -5.159 -6.111 -6.111 674 3HG1 VAL 86 2HG1 VAL 86 -3.786 -5.191 -5.191 675 1HG2 VAL 86 1HG2 VAL 86 -4.558 -6.062 -6.062 676 2HG2 VAL 86 3HG2 VAL 86 -3.237 -6.740 -6.740 677 3HG2 VAL 86 2HG2 VAL 86 -4.906 -6.946 -6.946 678 H ILE 87 H ILE 87 -6.707 -2.743 -2.743 679 HA ILE 87 HA ILE 87 -8.968 -3.977 -3.977 680 HB ILE 87 HB ILE 87 -10.332 -2.763 -2.763 681 1HG1 ILE 87 2HG1 ILE 87 -8.476 -1.224 -1.224 682 2HG1 ILE 87 1HG1 ILE 87 -7.954 -2.898 -2.898 683 1HG2 ILE 87 3HG2 ILE 87 -8.017 -1.162 -1.162 684 2HG2 ILE 87 2HG2 ILE 87 -9.499 -0.453 -0.453 685 3HG2 ILE 87 1HG2 ILE 87 -9.563 -1.481 -1.481 686 1HD1 ILE 87 2HD1 ILE 87 -10.289 -3.462 -3.462 687 2HD1 ILE 87 1HD1 ILE 87 -10.622 -1.731 -1.731 688 3HD1 ILE 87 3HD1 ILE 87 -9.405 -2.422 -2.422 689 H GLU 88 H GLU 88 -10.535 -5.322 -5.322 690 HA GLU 88 HA GLU 88 -9.378 -7.078 -7.078 691 1HB GLU 88 2HB GLU 88 -10.027 -8.027 -8.027 692 2HB GLU 88 1HB GLU 88 -11.699 -7.725 -7.725 693 1HG GLU 88 2HG GLU 88 -11.640 -9.301 -9.301 694 2HG GLU 88 1HG GLU 88 -9.879 -9.352 -9.352 695 H HIS 89 H HIS 89 -10.075 -5.310 -5.310 696 HA HIS 89 HA HIS 89 -12.678 -4.544 -4.544 697 1HB HIS 89 2HB HIS 89 -10.344 -3.934 -3.934 698 2HB HIS 89 1HB HIS 89 -10.939 -5.055 -5.055 699 HD1 HIS 89 HD1 HIS 89 -12.512 -4.126 -4.126 700 HD2 HIS 89 HD2 HIS 89 -12.182 -1.691 -1.691 701 HE1 HIS 89 HE1 HIS 89 -13.832 -2.058 -2.058 702 HE2 HIS 89 HE2 HIS 89 -13.684 -0.630 -0.630 703 HA PRO 90 HA PRO 90 -14.536 -8.360 -8.360 704 1HB PRO 90 2HB PRO 90 -16.940 -7.385 -7.385 705 2HB PRO 90 1HB PRO 90 -16.461 -7.538 -7.538 706 1HG PRO 90 2HG PRO 90 -16.449 -5.116 -5.116 707 2HG PRO 90 1HG PRO 90 -16.982 -5.272 -5.272 708 1HD PRO 90 2HD PRO 90 -14.550 -4.267 -4.267 709 2HD PRO 90 1HD PRO 90 -14.842 -5.113 -5.113 710 H GLU 91 H GLU 91 -13.954 -5.590 -5.590 711 HA GLU 91 HA GLU 91 -14.892 -6.799 -6.799 712 1HB GLU 91 2HB GLU 91 -14.264 -4.177 -4.177 713 2HB GLU 91 1HB GLU 91 -13.228 -4.534 -4.534 714 1HG GLU 91 2HG GLU 91 -15.321 -3.436 -3.436 715 2HG GLU 91 1HG GLU 91 -15.139 -5.032 -5.032 716 H TYR 92 H TYR 92 -11.951 -6.563 -6.563 717 HA TYR 92 HA TYR 92 -10.494 -7.827 -7.827 718 1HB TYR 92 2HB TYR 92 -9.066 -6.387 -6.387 719 2HB TYR 92 1HB TYR 92 -8.550 -6.679 -6.679 720 HD1 TYR 92 HD1 TYR 92 -10.880 -5.673 -5.673 721 HD2 TYR 92 HD2 TYR 92 -8.922 -4.069 -4.069 722 HE1 TYR 92 HE1 TYR 92 -11.638 -3.422 -3.422 723 HE2 TYR 92 HE2 TYR 92 -9.673 -1.812 -1.812 724 HH TYR 92 HH TYR 92 -10.510 -0.841 -0.841 725 H GLY 93 H GLY 93 -10.530 -7.565 -7.565 726 1HA GLY 93 2HA GLY 93 -10.773 -9.505 -9.505 727 2HA GLY 93 1HA GLY 93 -10.029 -10.463 -10.463 728 H GLU 94 H GLU 94 -9.515 -8.541 -8.541 729 HA GLU 94 HA GLU 94 -7.697 -8.178 -8.178 730 1HB GLU 94 2HB GLU 94 -7.432 -10.617 -10.617 731 2HB GLU 94 1HB GLU 94 -6.476 -10.401 -10.401 732 1HG GLU 94 2HG GLU 94 -5.538 -8.948 -8.948 733 2HG GLU 94 1HG GLU 94 -5.422 -10.706 -10.706 734 H VAL 95 H VAL 95 -7.371 -6.088 -6.088 735 HA VAL 95 HA VAL 95 -4.954 -5.870 -5.870 736 HB VAL 95 HB VAL 95 -5.917 -3.862 -3.862 737 1HG1 VAL 95 3HG1 VAL 95 -6.041 -6.256 -6.256 738 2HG1 VAL 95 2HG1 VAL 95 -7.751 -6.183 -6.183 739 3HG1 VAL 95 1HG1 VAL 95 -7.080 -5.036 -5.036 740 1HG2 VAL 95 3HG2 VAL 95 -8.445 -4.737 -4.737 741 2HG2 VAL 95 2HG2 VAL 95 -7.565 -3.230 -3.230 742 3HG2 VAL 95 1HG2 VAL 95 -8.370 -3.535 -3.535 743 H ILE 96 H ILE 96 -3.593 -4.137 -4.137 744 HA ILE 96 HA ILE 96 -3.932 -3.069 -3.069 745 HB ILE 96 HB ILE 96 -1.678 -3.333 -3.333 746 1HG1 ILE 96 2HG1 ILE 96 -2.169 -4.773 -4.773 747 2HG1 ILE 96 1HG1 ILE 96 -0.534 -4.121 -4.121 748 1HG2 ILE 96 2HG2 ILE 96 -1.952 -0.977 -0.977 749 2HG2 ILE 96 1HG2 ILE 96 -0.366 -1.660 -1.660 750 3HG2 ILE 96 3HG2 ILE 96 -1.374 -1.035 -1.035 751 1HD1 ILE 96 3HD1 ILE 96 -1.970 -2.235 -2.235 752 2HD1 ILE 96 2HD1 ILE 96 -2.562 -3.792 -3.792 753 3HD1 ILE 96 1HD1 ILE 96 -0.840 -3.429 -3.429 754 H GLN 97 H GLN 97 -4.830 -1.192 -1.192 755 HA GLN 97 HA GLN 97 -5.265 0.697 0.697 756 1HB GLN 97 2HB GLN 97 -6.877 -0.239 -0.239 757 2HB GLN 97 1HB GLN 97 -6.580 1.465 1.465 758 1HG GLN 97 2HG GLN 97 -7.382 1.993 1.993 759 2HG GLN 97 1HG GLN 97 -7.736 0.285 0.285 760 1HE2 GLN 97 2HE2 GLN 97 -9.963 2.210 2.210 761 2HE2 GLN 97 1HE2 GLN 97 -8.262 2.490 2.490 762 H LEU 98 H LEU 98 -3.813 2.256 2.256 763 HA LEU 98 HA LEU 98 -2.488 3.309 3.309 764 1HB LEU 98 2HB LEU 98 -1.822 3.845 3.845 765 2HB LEU 98 1HB LEU 98 -0.858 4.274 4.274 766 HG LEU 98 HG LEU 98 -1.453 1.396 1.396 767 1HD1 LEU 98 1HD1 LEU 98 -0.874 2.509 2.509 768 2HD1 LEU 98 3HD1 LEU 98 0.764 2.507 2.507 769 3HD1 LEU 98 2HD1 LEU 98 -0.120 0.991 0.991 770 1HD2 LEU 98 1HD2 LEU 98 0.076 2.760 2.760 771 2HD2 LEU 98 3HD2 LEU 98 0.473 1.125 1.125 772 3HD2 LEU 98 2HD2 LEU 98 1.260 2.510 2.510 773 H GLN 99 H GLN 99 -2.247 5.640 5.640 774 HA GLN 99 HA GLN 99 -4.681 7.004 7.004 775 1HB GLN 99 2HB GLN 99 -2.982 7.118 7.118 776 2HB GLN 99 1HB GLN 99 -3.203 8.723 8.723 777 1HG GLN 99 2HG GLN 99 -5.546 6.927 6.927 778 2HG GLN 99 1HG GLN 99 -4.851 7.880 7.880 779 1HE2 GLN 99 2HE2 GLN 99 -7.629 9.654 9.654 780 2HE2 GLN 99 1HE2 GLN 99 -7.479 8.025 8.025 781 H GLY 100 H GLY 100 -4.719 8.649 8.649 782 1HA GLY 100 2HA GLY 100 -3.910 10.443 10.443 783 2HA GLY 100 1HA GLY 100 -2.297 10.117 10.117 784 H ASP 101 H ASP 101 -2.679 10.730 10.730 785 HA ASP 101 HA ASP 101 -3.009 8.480 8.480 786 1HB ASP 101 2HB ASP 101 -1.911 9.897 9.897 787 2HB ASP 101 1HB ASP 101 -3.237 10.709 10.709 788 H GLN 102 H GLN 102 -1.732 6.878 6.878 789 HA GLN 102 HA GLN 102 1.143 7.203 7.203 790 1HB GLN 102 2HB GLN 102 -0.576 4.849 4.849 791 2HB GLN 102 1HB GLN 102 1.163 4.957 4.957 792 1HG GLN 102 2HG GLN 102 -1.007 6.502 6.502 793 2HG GLN 102 1HG GLN 102 0.236 5.478 5.478 794 1HE2 GLN 102 2HE2 GLN 102 0.990 9.360 9.360 795 2HE2 GLN 102 1HE2 GLN 102 -0.419 8.543 8.543 796 H ARG 103 H ARG 103 -0.991 6.451 6.451 797 HA ARG 103 HA ARG 103 -0.274 4.153 4.153 798 1HB ARG 103 2HB ARG 103 -0.802 5.206 5.206 799 2HB ARG 103 1HB ARG 103 -1.926 5.747 5.747 800 1HG ARG 103 2HG ARG 103 -1.484 7.763 7.763 801 2HG ARG 103 1HG ARG 103 -0.098 7.694 7.694 802 1HD ARG 103 2HD ARG 103 1.088 8.120 8.120 803 2HD ARG 103 1HD ARG 103 0.889 6.394 6.394 804 HE ARG 103 HE ARG 103 -0.522 6.886 6.886 805 1HH1 ARG 103 2HH1 ARG 103 -0.060 9.752 9.752 806 2HH1 ARG 103 1HH1 ARG 103 -0.863 10.794 10.794 807 1HH2 ARG 103 1HH2 ARG 103 -1.581 8.255 8.255 808 2HH2 ARG 103 2HH2 ARG 103 -1.727 9.945 9.945 809 H LYS 104 H LYS 104 1.699 7.015 7.015 810 HA LYS 104 HA LYS 104 3.768 5.831 5.831 811 1HB LYS 104 2HB LYS 104 3.096 8.182 8.182 812 2HB LYS 104 1HB LYS 104 3.634 8.605 8.605 813 1HG LYS 104 2HG LYS 104 5.800 7.292 7.292 814 2HG LYS 104 1HG LYS 104 5.152 8.355 8.355 815 1HD LYS 104 2HD LYS 104 6.563 9.817 9.817 816 2HD LYS 104 1HD LYS 104 5.105 10.085 10.085 817 1HE LYS 104 2HE LYS 104 6.206 8.020 8.020 818 2HE LYS 104 1HE LYS 104 7.658 8.814 8.814 819 1HZ LYS 104 3HZ LYS 104 5.609 10.497 10.497 820 2HZ LYS 104 2HZ LYS 104 6.527 9.516 9.516 821 3HZ LYS 104 1HZ LYS 104 7.294 10.648 10.648 822 H ASN 105 H ASN 105 2.987 6.533 6.533 823 HA ASN 105 HA ASN 105 5.722 6.259 6.259 824 1HB ASN 105 2HB ASN 105 3.127 6.522 6.522 825 2HB ASN 105 1HB ASN 105 4.738 6.556 6.556 826 1HD2 ASN 105 2HD2 ASN 105 4.504 10.015 10.015 827 2HD2 ASN 105 1HD2 ASN 105 4.542 8.607 8.607 828 H ILE 106 H ILE 106 2.707 4.388 4.388 829 HA ILE 106 HA ILE 106 3.722 2.298 2.298 830 HB ILE 106 HB ILE 106 1.293 2.741 2.741 831 1HG1 ILE 106 2HG1 ILE 106 0.656 0.402 0.402 832 2HG1 ILE 106 1HG1 ILE 106 2.192 -0.086 -0.086 833 1HG2 ILE 106 3HG2 ILE 106 1.488 2.973 2.973 834 2HG2 ILE 106 2HG2 ILE 106 1.718 1.231 1.231 835 3HG2 ILE 106 1HG2 ILE 106 0.203 1.886 1.886 836 1HD1 ILE 106 3HD1 ILE 106 2.475 1.536 1.536 837 2HD1 ILE 106 2HD1 ILE 106 1.621 0.014 0.014 838 3HD1 ILE 106 1HD1 ILE 106 3.239 0.010 0.010 839 H CYS 107 H CYS 107 3.329 2.522 2.522 840 HA CYS 107 HA CYS 107 4.424 0.024 0.024 841 1HB CYS 107 2HB CYS 107 4.936 1.004 1.004 842 2HB CYS 107 1HB CYS 107 3.310 1.420 1.420 843 HG CYS 107 HG CYS 107 5.060 3.423 3.423 844 H GLN 108 H GLN 108 5.845 3.110 3.110 845 HA GLN 108 HA GLN 108 8.556 2.392 2.392 846 1HB GLN 108 2HB GLN 108 8.294 4.677 4.677 847 2HB GLN 108 1HB GLN 108 7.116 4.690 4.690 848 1HG GLN 108 2HG GLN 108 8.787 5.649 5.649 849 2HG GLN 108 1HG GLN 108 9.311 3.988 3.988 850 1HE2 GLN 108 2HE2 GLN 108 12.139 4.220 4.220 851 2HE2 GLN 108 1HE2 GLN 108 11.003 3.162 3.162 852 H PHE 109 H PHE 109 6.406 2.236 2.236 853 HA PHE 109 HA PHE 109 8.400 1.638 1.638 854 1HB PHE 109 2HB PHE 109 6.260 2.595 2.595 855 2HB PHE 109 1HB PHE 109 5.403 1.211 1.211 856 HD1 PHE 109 HD1 PHE 109 8.023 2.043 2.043 857 HD2 PHE 109 HD2 PHE 109 4.806 -0.513 -0.513 858 HE1 PHE 109 HE1 PHE 109 8.175 0.916 0.916 859 HE2 PHE 109 HE2 PHE 109 4.951 -1.647 -1.647 860 HZ PHE 109 HZ PHE 109 6.637 -0.932 -0.932 861 H LEU 110 H LEU 110 6.072 -0.284 -0.284 862 HA LEU 110 HA LEU 110 6.613 -2.789 -2.789 863 1HB LEU 110 2HB LEU 110 5.536 -1.806 -1.806 864 2HB LEU 110 1HB LEU 110 5.999 -3.493 -3.493 865 HG LEU 110 HG LEU 110 4.349 -3.972 -3.972 866 1HD1 LEU 110 1HD1 LEU 110 4.801 -2.043 -2.043 867 2HD1 LEU 110 3HD1 LEU 110 3.897 -1.013 -1.013 868 3HD1 LEU 110 2HD1 LEU 110 3.077 -2.315 -2.315 869 1HD2 LEU 110 1HD2 LEU 110 3.541 -2.315 -2.315 870 2HD2 LEU 110 3HD2 LEU 110 3.006 -3.923 -3.923 871 3HD2 LEU 110 2HD2 LEU 110 2.324 -2.495 -2.495 872 H VAL 111 H VAL 111 8.379 -0.896 -0.896 873 HA VAL 111 HA VAL 111 10.145 -3.121 -3.121 874 HB VAL 111 HB VAL 111 10.206 -0.258 -0.258 875 1HG1 VAL 111 1HG1 VAL 111 11.913 -2.632 -2.632 876 2HG1 VAL 111 3HG1 VAL 111 11.551 -1.542 -1.542 877 3HG1 VAL 111 2HG1 VAL 111 12.349 -0.927 -0.927 878 1HG2 VAL 111 2HG2 VAL 111 8.210 -1.772 -1.772 879 2HG2 VAL 111 1HG2 VAL 111 9.041 -0.921 -0.921 880 3HG2 VAL 111 3HG2 VAL 111 9.362 -2.633 -2.633 881 H GLU 112 H GLU 112 10.094 -0.193 -0.193 882 HA GLU 112 HA GLU 112 12.891 -0.011 -0.011 883 1HB GLU 112 2HB GLU 112 10.462 1.139 1.139 884 2HB GLU 112 1HB GLU 112 12.048 1.331 1.331 885 1HG GLU 112 2HG GLU 112 12.078 2.014 2.014 886 2HG GLU 112 1HG GLU 112 10.890 2.959 2.959 887 H ILE 113 H ILE 113 10.224 -1.509 -1.509 888 HA ILE 113 HA ILE 113 12.022 -2.498 -2.498 889 HB ILE 113 HB ILE 113 10.093 -3.271 -3.271 890 1HG1 ILE 113 2HG1 ILE 113 8.601 -2.809 -2.809 891 2HG1 ILE 113 1HG1 ILE 113 8.894 -4.352 -4.352 892 1HG2 ILE 113 1HG2 ILE 113 10.530 -0.707 -0.707 893 2HG2 ILE 113 3HG2 ILE 113 8.966 -0.797 -0.797 894 3HG2 ILE 113 2HG2 ILE 113 9.108 -1.261 -1.261 895 1HD1 ILE 113 2HD1 ILE 113 7.544 -2.602 -2.602 896 2HD1 ILE 113 1HD1 ILE 113 6.677 -2.665 -2.665 897 3HD1 ILE 113 3HD1 ILE 113 7.023 -4.153 -4.153 898 H GLY 114 H GLY 114 10.342 -3.649 -3.649 899 1HA GLY 114 2HA GLY 114 11.107 -5.560 -5.560 900 2HA GLY 114 1HA GLY 114 11.713 -6.232 -6.232 901 H LEU 115 H LEU 115 8.554 -4.781 -4.781 902 HA LEU 115 HA LEU 115 7.287 -7.161 -7.161 903 1HB LEU 115 2HB LEU 115 6.713 -4.515 -4.515 904 2HB LEU 115 1HB LEU 115 5.612 -4.998 -4.998 905 HG LEU 115 HG LEU 115 4.500 -6.550 -6.550 906 1HD1 LEU 115 2HD1 LEU 115 6.799 -6.045 -6.045 907 2HD1 LEU 115 1HD1 LEU 115 5.250 -6.621 -6.621 908 3HD1 LEU 115 3HD1 LEU 115 6.143 -7.579 -7.579 909 1HD2 LEU 115 3HD2 LEU 115 4.356 -3.885 -3.885 910 2HD2 LEU 115 2HD2 LEU 115 3.335 -5.030 -5.030 911 3HD2 LEU 115 1HD2 LEU 115 4.774 -4.363 -4.363 912 H ALA 116 H ALA 116 6.441 -5.194 -5.194 913 HA ALA 116 HA ALA 116 5.490 -7.606 -7.606 914 1HB ALA 116 3HB ALA 116 4.077 -5.577 -5.577 915 2HB ALA 116 2HB ALA 116 5.314 -4.737 -4.737 916 3HB ALA 116 1HB ALA 116 4.472 -6.119 -6.119 917 H LYS 117 H LYS 117 5.880 -7.090 -7.090 918 HA LYS 117 HA LYS 117 8.816 -7.048 -7.048 919 1HB LYS 117 2HB LYS 117 6.872 -8.951 -8.951 920 2HB LYS 117 1HB LYS 117 7.665 -8.247 -8.247 921 1HG LYS 117 2HG LYS 117 8.819 -10.248 -10.248 922 2HG LYS 117 1HG LYS 117 9.846 -8.835 -8.835 923 1HD LYS 117 2HD LYS 117 8.202 -9.470 -9.470 924 2HD LYS 117 1HD LYS 117 9.284 -10.786 -10.786 925 1HE LYS 117 2HE LYS 117 10.873 -8.531 -8.531 926 2HE LYS 117 1HE LYS 117 9.881 -8.219 -8.219 927 1HZ LYS 117 1HZ LYS 117 11.510 -10.660 -10.660 928 2HZ LYS 117 3HZ LYS 117 11.931 -9.377 -9.377 929 3HZ LYS 117 2HZ LYS 117 10.582 -10.333 -10.333 930 H ASP 118 H ASP 118 9.742 -5.998 -5.998 931 HA ASP 118 HA ASP 118 8.558 -3.573 -3.573 932 1HB ASP 118 2HB ASP 118 10.661 -4.938 -4.938 933 2HB ASP 118 1HB ASP 118 10.399 -3.211 -3.211 934 H ASP 119 H ASP 119 8.404 -6.718 -6.718 935 HA ASP 119 HA ASP 119 7.213 -5.769 -5.769 936 1HB ASP 119 2HB ASP 119 6.905 -8.170 -8.170 937 2HB ASP 119 1HB ASP 119 8.562 -7.805 -7.805 938 H GLN 120 H GLN 120 6.165 -6.852 -6.852 939 HA GLN 120 HA GLN 120 3.417 -7.239 -7.239 940 1HB GLN 120 2HB GLN 120 4.618 -7.163 -7.163 941 2HB GLN 120 1HB GLN 120 3.011 -7.735 -7.735 942 1HG GLN 120 2HG GLN 120 4.141 -9.472 -9.472 943 2HG GLN 120 1HG GLN 120 5.653 -8.987 -8.987 944 1HE2 GLN 120 2HE2 GLN 120 4.059 -9.994 -9.994 945 2HE2 GLN 120 1HE2 GLN 120 4.423 -8.460 -8.460 946 H LEU 121 H LEU 121 5.281 -4.571 -4.571 947 HA LEU 121 HA LEU 121 3.744 -2.925 -2.925 948 1HB LEU 121 2HB LEU 121 5.572 -2.324 -2.324 949 2HB LEU 121 1HB LEU 121 4.768 -1.049 -1.049 950 HG LEU 121 HG LEU 121 6.549 -3.087 -3.087 951 1HD1 LEU 121 2HD1 LEU 121 7.238 -0.449 -0.449 952 2HD1 LEU 121 1HD1 LEU 121 8.215 -1.165 -1.165 953 3HD1 LEU 121 3HD1 LEU 121 8.002 -2.020 -2.020 954 1HD2 LEU 121 3HD2 LEU 121 4.765 -1.286 -1.286 955 2HD2 LEU 121 2HD2 LEU 121 6.140 -1.996 -1.996 956 3HD2 LEU 121 1HD2 LEU 121 6.297 -0.415 -0.415 957 H LYS 122 H LYS 122 1.550 -3.281 -3.281 958 HA LYS 122 HA LYS 122 0.590 -2.378 -2.378 959 1HB LYS 122 2HB LYS 122 -0.409 -4.266 -4.266 960 2HB LYS 122 1HB LYS 122 -1.639 -3.286 -3.286 961 1HG LYS 122 2HG LYS 122 0.399 -4.914 -4.914 962 2HG LYS 122 1HG LYS 122 -1.209 -5.501 -5.501 963 1HD LYS 122 2HD LYS 122 -2.236 -4.216 -4.216 964 2HD LYS 122 1HD LYS 122 -1.098 -2.882 -2.882 965 1HE LYS 122 2HE LYS 122 0.581 -4.135 -4.135 966 2HE LYS 122 1HE LYS 122 -0.563 -5.462 -5.462 967 1HZ LYS 122 2HZ LYS 122 -2.000 -3.449 -3.449 968 2HZ LYS 122 1HZ LYS 122 -0.455 -2.886 -2.886 969 3HZ LYS 122 3HZ LYS 122 -0.980 -4.387 -4.387 970 H VAL 123 H VAL 123 1.213 -0.160 -0.160 971 HA VAL 123 HA VAL 123 -0.464 1.040 1.040 972 HB VAL 123 HB VAL 123 1.821 1.855 1.855 973 1HG1 VAL 123 1HG1 VAL 123 1.377 1.565 1.565 974 2HG1 VAL 123 3HG1 VAL 123 1.134 3.304 3.304 975 3HG1 VAL 123 2HG1 VAL 123 2.659 2.575 2.575 976 1HG2 VAL 123 1HG2 VAL 123 -0.354 3.857 3.857 977 2HG2 VAL 123 3HG2 VAL 123 0.265 3.391 3.391 978 3HG2 VAL 123 2HG2 VAL 123 1.293 4.284 4.284 979 H HIS 124 H HIS 124 -2.532 1.517 1.517 980 HA HIS 124 HA HIS 124 -3.318 2.323 2.323 981 1HB HIS 124 2HB HIS 124 -4.950 1.034 1.034 982 2HB HIS 124 1HB HIS 124 -5.621 1.621 1.621 983 HD1 HIS 124 HD1 HIS 124 -5.139 0.234 0.234 984 HD2 HIS 124 HD2 HIS 124 -3.499 -1.358 -1.358 985 HE1 HIS 124 HE1 HIS 124 -4.422 -2.098 -2.098 986 HE2 HIS 124 HE2 HIS 124 -3.321 -2.994 -2.994 987 H GLY 125 H GLY 125 -3.554 3.123 3.123 988 1HA GLY 125 2HA GLY 125 -4.194 5.055 5.055 989 2HA GLY 125 1HA GLY 125 -3.779 5.877 5.877 990 H PHE 126 HN PHE 126 -5.375 6.909 6.909 991 HA PHE 126 HA PHE 126 -7.949 5.896 5.896 992 1HB PHE 126 2HB PHE 126 -9.322 7.047 7.047 993 2HB PHE 126 1HB PHE 126 -8.028 6.367 6.367 994 HD1 PHE 126 HD1 PHE 126 -5.979 8.553 8.553 995 HD2 PHE 126 HD2 PHE 126 -9.904 8.679 8.679 996 HE1 PHE 126 HE1 PHE 126 -5.515 10.784 10.784 997 HE2 PHE 126 HE2 PHE 126 -9.447 10.912 10.912 998 HZ PHE 126 HZ PHE 126 -7.251 11.967 11.967 Start of MODEL 21 1 1H MET 1 2H MET 1 -47.925 -0.424 -0.424 2 2H MET 1 1H MET 1 -46.419 -0.817 -0.817 3 3H MET 1 3H MET 1 -47.511 0.229 0.229 4 HA MET 1 HA MET 1 -49.067 -1.505 -1.505 5 1HB MET 1 2HB MET 1 -46.284 -2.397 -2.397 6 2HB MET 1 1HB MET 1 -47.786 -2.843 -2.843 7 1HG MET 1 2HG MET 1 -46.554 -0.101 -0.101 8 2HG MET 1 1HG MET 1 -46.636 -1.169 -1.169 9 1HE MET 1 2HE MET 1 -48.844 -2.341 -2.341 10 2HE MET 1 1HE MET 1 -50.264 -1.970 -1.970 11 3HE MET 1 3HE MET 1 -50.114 -1.302 -1.302 12 H ARG 2 H ARG 2 -49.905 -2.568 -2.568 13 HA ARG 2 HA ARG 2 -50.249 -4.262 -4.262 14 1HB ARG 2 2HB ARG 2 -48.573 -5.482 -5.482 15 2HB ARG 2 1HB ARG 2 -48.709 -6.379 -6.379 16 1HG ARG 2 2HG ARG 2 -50.538 -7.252 -7.252 17 2HG ARG 2 1HG ARG 2 -51.306 -5.734 -5.734 18 1HD ARG 2 2HD ARG 2 -51.756 -5.367 -5.367 19 2HD ARG 2 1HD ARG 2 -50.023 -5.224 -5.224 20 HE ARG 2 HE ARG 2 -50.437 -7.893 -7.893 21 1HH1 ARG 2 2HH1 ARG 2 -51.968 -5.202 -5.202 22 2HH1 ARG 2 1HH1 ARG 2 -52.374 -6.118 -6.118 23 1HH2 ARG 2 1HH2 ARG 2 -50.970 -9.098 -9.098 24 2HH2 ARG 2 2HH2 ARG 2 -51.808 -8.329 -8.329 25 H GLY 3 H GLY 3 -48.214 -2.271 -2.271 26 1HA GLY 3 2HA GLY 3 -46.750 -3.799 -3.799 27 2HA GLY 3 1HA GLY 3 -45.837 -2.753 -2.753 28 H SER 4 H SER 4 -47.634 -2.948 -2.948 29 HA SER 4 HA SER 4 -48.209 -0.118 -0.118 30 1HB SER 4 2HB SER 4 -48.748 -2.525 -2.525 31 2HB SER 4 1HB SER 4 -48.703 -0.961 -0.961 32 HG SER 4 HG SER 4 -50.787 -1.290 -1.290 33 H HIS 5 H HIS 5 -46.443 -2.299 -2.299 34 HA HIS 5 HA HIS 5 -44.651 -0.065 -0.065 35 1HB HIS 5 2HB HIS 5 -45.898 -1.197 -1.197 36 2HB HIS 5 1HB HIS 5 -45.008 -2.671 -2.671 37 HD1 HIS 5 HD1 HIS 5 -44.356 0.889 0.889 38 HD2 HIS 5 HD2 HIS 5 -42.595 -2.873 -2.873 39 HE1 HIS 5 HE1 HIS 5 -42.337 1.137 1.137 40 HE2 HIS 5 HE2 HIS 5 -41.338 -1.172 -1.172 41 H HIS 6 H HIS 6 -44.744 -3.287 -3.287 42 HA HIS 6 HA HIS 6 -42.006 -3.914 -3.914 43 1HB HIS 6 2HB HIS 6 -44.085 -5.372 -5.372 44 2HB HIS 6 1HB HIS 6 -43.681 -4.840 -4.840 45 HD1 HIS 6 HD1 HIS 6 -43.471 -7.812 -7.812 46 HD2 HIS 6 HD2 HIS 6 -40.310 -5.118 -5.118 47 HE1 HIS 6 HE1 HIS 6 -41.394 -9.219 -9.219 48 HE2 HIS 6 HE2 HIS 6 -39.499 -7.563 -7.563 49 H HIS 7 H HIS 7 -43.901 -2.239 -2.239 50 HA HIS 7 HA HIS 7 -43.299 -0.918 -0.918 51 1HB HIS 7 2HB HIS 7 -41.886 0.063 0.063 52 2HB HIS 7 1HB HIS 7 -40.528 -0.675 -0.675 53 HD1 HIS 7 HD1 HIS 7 -39.363 1.294 1.294 54 HD2 HIS 7 HD2 HIS 7 -43.458 1.372 1.372 55 HE1 HIS 7 HE1 HIS 7 -39.742 3.235 3.235 56 HE2 HIS 7 HE2 HIS 7 -42.234 3.305 3.305 57 H HIS 8 H HIS 8 -43.439 -2.961 -2.961 58 HA HIS 8 HA HIS 8 -41.223 -4.546 -4.546 59 1HB HIS 8 2HB HIS 8 -43.839 -3.993 -3.993 60 2HB HIS 8 1HB HIS 8 -42.615 -4.959 -4.959 61 HD1 HIS 8 HD1 HIS 8 -44.396 -4.957 -4.957 62 HD2 HIS 8 HD2 HIS 8 -42.803 -7.592 -7.592 63 HE1 HIS 8 HE1 HIS 8 -44.937 -7.256 -7.256 64 HE2 HIS 8 HE2 HIS 8 -43.877 -8.834 -8.834 65 H HIS 9 H HIS 9 -40.617 -4.703 -4.703 66 HA HIS 9 HA HIS 9 -40.015 -2.041 -2.041 67 1HB HIS 9 2HB HIS 9 -37.859 -4.140 -4.140 68 2HB HIS 9 1HB HIS 9 -37.678 -2.451 -2.451 69 HD1 HIS 9 HD1 HIS 9 -37.146 -0.835 -0.835 70 HD2 HIS 9 HD2 HIS 9 -38.522 -4.474 -4.474 71 HE1 HIS 9 HE1 HIS 9 -36.853 -0.712 -0.712 72 HE2 HIS 9 HE2 HIS 9 -37.773 -2.891 -2.891 73 H HIS 10 H HIS 10 -40.527 -1.971 -1.971 74 HA HIS 10 HA HIS 10 -41.049 -4.411 -4.411 75 1HB HIS 10 2HB HIS 10 -42.554 -2.450 -2.450 76 2HB HIS 10 1HB HIS 10 -41.249 -1.535 -1.535 77 HD1 HIS 10 HD1 HIS 10 -42.112 -5.106 -5.106 78 HD2 HIS 10 HD2 HIS 10 -42.352 -1.295 -1.295 79 HE1 HIS 10 HE1 HIS 10 -42.820 -5.444 -5.444 80 HE2 HIS 10 HE2 HIS 10 -42.870 -3.131 -3.131 81 H THR 11 H THR 11 -38.541 -2.021 -2.021 82 HA THR 11 HA THR 11 -37.317 -2.286 -2.286 83 HB THR 11 HB THR 11 -35.361 -1.372 -1.372 84 HG1 THR 11 HG1 THR 11 -36.362 -2.432 -2.432 85 1HG2 THR 11 3HG2 THR 11 -37.453 0.057 0.057 86 2HG2 THR 11 2HG2 THR 11 -37.488 -0.365 -0.365 87 3HG2 THR 11 1HG2 THR 11 -36.103 0.499 0.499 88 H ASP 12 H ASP 12 -36.656 -4.067 -4.067 89 HA ASP 12 HA ASP 12 -35.434 -6.203 -6.203 90 1HB ASP 12 2HB ASP 12 -37.334 -6.309 -6.309 91 2HB ASP 12 1HB ASP 12 -36.168 -7.614 -7.614 92 HA PRO 13 HA PRO 13 -31.635 -5.509 -5.509 93 1HB PRO 13 2HB PRO 13 -31.368 -8.471 -8.471 94 2HB PRO 13 1HB PRO 13 -30.241 -7.214 -7.214 95 1HG PRO 13 2HG PRO 13 -31.661 -8.587 -8.587 96 2HG PRO 13 1HG PRO 13 -31.364 -6.851 -6.851 97 1HD PRO 13 2HD PRO 13 -33.841 -8.255 -8.255 98 2HD PRO 13 1HD PRO 13 -33.667 -6.813 -6.813 99 H MET 14 H MET 14 -33.981 -7.878 -7.878 100 HA MET 14 HA MET 14 -32.878 -8.634 -8.634 101 1HB MET 14 2HB MET 14 -35.656 -8.491 -8.491 102 2HB MET 14 1HB MET 14 -35.443 -8.785 -8.785 103 1HG MET 14 2HG MET 14 -35.102 -10.925 -10.925 104 2HG MET 14 1HG MET 14 -33.673 -10.511 -10.511 105 1HE MET 14 2HE MET 14 -35.143 -13.046 -13.046 106 2HE MET 14 1HE MET 14 -34.063 -12.734 -12.734 107 3HE MET 14 3HE MET 14 -35.738 -13.199 -13.199 108 H SER 15 H SER 15 -34.317 -5.642 -5.642 109 HA SER 15 HA SER 15 -35.218 -4.613 -4.613 110 1HB SER 15 2HB SER 15 -34.928 -2.410 -2.410 111 2HB SER 15 1HB SER 15 -35.518 -3.526 -3.526 112 HG SER 15 HG SER 15 -33.050 -2.269 -2.269 113 H ALA 16 H ALA 16 -31.957 -4.998 -4.998 114 HA ALA 16 HA ALA 16 -30.959 -4.031 -4.031 115 1HB ALA 16 2HB ALA 16 -30.653 -2.503 -2.503 116 2HB ALA 16 1HB ALA 16 -29.254 -3.554 -3.554 117 3HB ALA 16 3HB ALA 16 -29.426 -2.613 -2.613 118 H ILE 17 H ILE 17 -30.601 -6.077 -6.077 119 HA ILE 17 HA ILE 17 -28.655 -7.727 -7.727 120 HB ILE 17 HB ILE 17 -30.591 -8.714 -8.714 121 1HG1 ILE 17 2HG1 ILE 17 -30.854 -9.172 -9.172 122 2HG1 ILE 17 1HG1 ILE 17 -31.606 -7.784 -7.784 123 1HG2 ILE 17 1HG2 ILE 17 -28.511 -9.960 -9.960 124 2HG2 ILE 17 3HG2 ILE 17 -29.979 -10.883 -10.883 125 3HG2 ILE 17 2HG2 ILE 17 -28.976 -10.320 -10.320 126 1HD1 ILE 17 3HD1 ILE 17 -32.523 -9.704 -9.704 127 2HD1 ILE 17 2HD1 ILE 17 -32.309 -10.647 -10.647 128 3HD1 ILE 17 1HD1 ILE 17 -33.343 -9.218 -9.218 129 H GLN 18 H GLN 18 -26.691 -7.718 -7.718 130 HA GLN 18 HA GLN 18 -26.352 -7.029 -7.029 131 1HB GLN 18 2HB GLN 18 -24.379 -7.159 -7.159 132 2HB GLN 18 1HB GLN 18 -23.938 -6.782 -6.782 133 1HG GLN 18 2HG GLN 18 -25.930 -5.189 -5.189 134 2HG GLN 18 1HG GLN 18 -24.209 -4.813 -4.813 135 1HE2 GLN 18 2HE2 GLN 18 -25.422 -2.632 -2.632 136 2HE2 GLN 18 1HE2 GLN 18 -25.139 -2.761 -2.761 137 H ASN 19 H ASN 19 -26.173 -8.636 -8.636 138 HA ASN 19 HA ASN 19 -24.318 -10.761 -10.761 139 1HB ASN 19 2HB ASN 19 -26.626 -11.315 -11.315 140 2HB ASN 19 1HB ASN 19 -27.031 -11.907 -11.907 141 1HD2 ASN 19 2HD2 ASN 19 -24.122 -13.742 -13.742 142 2HD2 ASN 19 1HD2 ASN 19 -24.586 -12.112 -12.112 143 H LEU 20 H LEU 20 -27.388 -10.079 -10.079 144 HA LEU 20 HA LEU 20 -27.930 -10.015 -10.015 145 1HB LEU 20 2HB LEU 20 -25.078 -9.225 -9.225 146 2HB LEU 20 1HB LEU 20 -25.712 -9.727 -9.727 147 HG LEU 20 HG LEU 20 -27.127 -7.642 -7.642 148 1HD1 LEU 20 2HD1 LEU 20 -24.596 -7.392 -7.392 149 2HD1 LEU 20 1HD1 LEU 20 -25.803 -6.129 -6.129 150 3HD1 LEU 20 3HD1 LEU 20 -25.192 -6.472 -6.472 151 1HD2 LEU 20 1HD2 LEU 20 -27.181 -8.647 -8.647 152 2HD2 LEU 20 3HD2 LEU 20 -28.511 -8.194 -8.194 153 3HD2 LEU 20 2HD2 LEU 20 -27.539 -6.944 -6.944 154 H HIS 21 H HIS 21 -28.675 -12.063 -12.063 155 HA HIS 21 HA HIS 21 -27.030 -14.354 -14.354 156 1HB HIS 21 2HB HIS 21 -29.828 -13.979 -13.979 157 2HB HIS 21 1HB HIS 21 -29.033 -15.509 -15.509 158 HD1 HIS 21 HD1 HIS 21 -31.628 -15.150 -15.150 159 HD2 HIS 21 HD2 HIS 21 -28.092 -13.686 -13.686 160 HE1 HIS 21 HE1 HIS 21 -32.069 -14.901 -14.901 161 HE2 HIS 21 HE2 HIS 21 -29.945 -13.930 -13.930 162 H SER 22 H SER 22 -25.931 -15.161 -15.161 163 HA SER 22 HA SER 22 -24.951 -15.318 -15.318 164 1HB SER 22 2HB SER 22 -26.412 -15.578 -15.578 165 2HB SER 22 1HB SER 22 -27.289 -16.181 -16.181 166 HG SER 22 HG SER 22 -27.659 -13.789 -13.789 167 H PHE 23 H PHE 23 -23.649 -13.448 -13.448 168 HA PHE 23 HA PHE 23 -24.536 -10.905 -10.905 169 1HB PHE 23 2HB PHE 23 -23.110 -11.179 -11.179 170 2HB PHE 23 1HB PHE 23 -21.775 -11.570 -11.570 171 HD1 PHE 23 HD2 PHE 23 -21.229 -9.836 -9.836 172 HD2 PHE 23 HD1 PHE 23 -23.541 -8.979 -8.979 173 HE1 PHE 23 HE2 PHE 23 -20.752 -7.437 -7.437 174 HE2 PHE 23 HE1 PHE 23 -23.068 -6.579 -6.579 175 HZ PHE 23 HZ PHE 23 -21.671 -5.807 -5.807 176 H ASP 24 H ASP 24 -23.786 -9.925 -9.925 177 HA ASP 24 HA ASP 24 -22.940 -9.741 -9.741 178 1HB ASP 24 2HB ASP 24 -20.828 -11.298 -11.298 179 2HB ASP 24 1HB ASP 24 -20.720 -11.152 -11.152 180 HA PRO 25 HA PRO 25 -25.221 -13.253 -13.253 181 1HB PRO 25 2HB PRO 25 -24.622 -11.737 -11.737 182 2HB PRO 25 1HB PRO 25 -26.161 -12.379 -12.379 183 1HG PRO 25 2HG PRO 25 -25.638 -9.771 -9.771 184 2HG PRO 25 1HG PRO 25 -26.510 -10.594 -10.594 185 1HD PRO 25 2HD PRO 25 -23.666 -9.687 -9.687 186 2HD PRO 25 1HD PRO 25 -24.802 -9.684 -9.684 187 H PHE 26 H PHE 26 -22.064 -12.076 -12.076 188 HA PHE 26 HA PHE 26 -21.499 -14.495 -14.495 189 1HB PHE 26 2HB PHE 26 -19.193 -12.823 -12.823 190 2HB PHE 26 1HB PHE 26 -20.184 -13.179 -13.179 191 HD1 PHE 26 HD2 PHE 26 -22.447 -11.785 -11.785 192 HD2 PHE 26 HD1 PHE 26 -18.936 -10.634 -10.634 193 HE1 PHE 26 HE2 PHE 26 -23.177 -9.437 -9.437 194 HE2 PHE 26 HE1 PHE 26 -19.659 -8.284 -8.284 195 HZ PHE 26 HZ PHE 26 -21.782 -7.682 -7.682 196 H ALA 27 H ALA 27 -20.852 -12.999 -12.999 197 HA ALA 27 HA ALA 27 -19.778 -13.725 -13.725 198 1HB ALA 27 3HB ALA 27 -21.004 -15.906 -15.906 199 2HB ALA 27 2HB ALA 27 -19.334 -16.452 -16.452 200 3HB ALA 27 1HB ALA 27 -19.951 -15.933 -15.933 201 H ASP 28 H ASP 28 -17.820 -12.900 -12.900 202 HA ASP 28 HA ASP 28 -15.678 -13.375 -13.375 203 1HB ASP 28 2HB ASP 28 -16.011 -11.681 -11.681 204 2HB ASP 28 1HB ASP 28 -14.404 -11.967 -11.967 205 H ALA 29 H ALA 29 -14.978 -15.457 -15.457 206 HA ALA 29 HA ALA 29 -13.846 -16.310 -16.310 207 1HB ALA 29 3HB ALA 29 -15.982 -17.516 -17.516 208 2HB ALA 29 2HB ALA 29 -14.717 -18.406 -18.406 209 3HB ALA 29 1HB ALA 29 -14.752 -18.385 -18.385 210 H SER 30 H SER 30 -12.084 -17.920 -17.920 211 HA SER 30 HA SER 30 -10.143 -17.000 -17.000 212 1HB SER 30 2HB SER 30 -9.272 -17.722 -17.722 213 2HB SER 30 1HB SER 30 -10.191 -19.227 -19.227 214 HG SER 30 HG SER 30 -8.406 -20.018 -20.018 215 H LYS 31 H LYS 31 -10.992 -20.411 -20.411 216 HA LYS 31 HA LYS 31 -11.973 -20.909 -20.909 217 1HB LYS 31 2HB LYS 31 -9.611 -20.316 -20.316 218 2HB LYS 31 1HB LYS 31 -9.078 -21.705 -21.705 219 1HG LYS 31 2HG LYS 31 -10.790 -22.963 -22.963 220 2HG LYS 31 1HG LYS 31 -10.436 -21.594 -21.594 221 1HD LYS 31 2HD LYS 31 -8.271 -23.237 -23.237 222 2HD LYS 31 1HD LYS 31 -8.980 -23.664 -23.664 223 1HE LYS 31 2HE LYS 31 -8.068 -21.852 -21.852 224 2HE LYS 31 1HE LYS 31 -8.001 -20.883 -20.883 225 1HZ LYS 31 2HZ LYS 31 -6.229 -22.531 -22.531 226 2HZ LYS 31 1HZ LYS 31 -6.155 -23.016 -23.016 227 3HZ LYS 31 3HZ LYS 31 -5.796 -21.417 -21.417 228 H GLY 32 H GLY 32 -9.619 -22.592 -22.592 229 1HA GLY 32 2HA GLY 32 -11.572 -24.330 -24.330 230 2HA GLY 32 1HA GLY 32 -10.718 -25.126 -25.126 231 H ASP 33 H ASP 33 -8.613 -25.782 -25.782 232 HA ASP 33 HA ASP 33 -7.766 -26.162 -26.162 233 1HB ASP 33 2HB ASP 33 -6.962 -27.105 -27.105 234 2HB ASP 33 1HB ASP 33 -5.611 -26.886 -26.886 235 H ASP 34 H ASP 34 -6.940 -24.529 -24.529 236 HA ASP 34 HA ASP 34 -5.074 -22.688 -22.688 237 1HB ASP 34 2HB ASP 34 -5.603 -21.110 -21.110 238 2HB ASP 34 1HB ASP 34 -7.002 -21.518 -21.518 239 H LEU 35 H LEU 35 -3.485 -24.468 -24.468 240 HA LEU 35 HA LEU 35 -2.517 -24.621 -24.621 241 1HB LEU 35 2HB LEU 35 -2.169 -26.337 -26.337 242 2HB LEU 35 1HB LEU 35 -0.963 -26.391 -26.391 243 HG LEU 35 HG LEU 35 -2.680 -28.177 -28.177 244 1HD1 LEU 35 1HD1 LEU 35 -2.159 -26.193 -26.193 245 2HD1 LEU 35 3HD1 LEU 35 -3.343 -27.463 -27.463 246 3HD1 LEU 35 2HD1 LEU 35 -1.683 -27.886 -27.886 247 1HD2 LEU 35 2HD2 LEU 35 -4.554 -26.736 -26.736 248 2HD2 LEU 35 1HD2 LEU 35 -4.928 -27.683 -27.683 249 3HD2 LEU 35 3HD2 LEU 35 -4.576 -25.960 -25.960 250 H LEU 36 H LEU 36 -2.135 -22.222 -22.222 251 HA LEU 36 HA LEU 36 0.571 -22.192 -22.192 252 1HB LEU 36 2HB LEU 36 -1.628 -20.217 -20.217 253 2HB LEU 36 1HB LEU 36 0.009 -19.591 -19.591 254 HG LEU 36 HG LEU 36 -1.148 -19.621 -19.621 255 1HD1 LEU 36 2HD1 LEU 36 1.311 -19.673 -19.673 256 2HD1 LEU 36 1HD1 LEU 36 1.253 -21.435 -21.435 257 3HD1 LEU 36 3HD1 LEU 36 0.722 -20.489 -20.489 258 1HD2 LEU 36 1HD2 LEU 36 -1.089 -22.590 -22.590 259 2HD2 LEU 36 3HD2 LEU 36 -2.485 -21.572 -21.572 260 3HD2 LEU 36 2HD2 LEU 36 -1.280 -21.875 -21.875 261 HA PRO 37 HA PRO 37 2.590 -21.349 -21.349 262 1HB PRO 37 2HB PRO 37 4.827 -20.116 -20.116 263 2HB PRO 37 1HB PRO 37 4.540 -21.842 -21.842 264 1HG PRO 37 2HG PRO 37 4.160 -19.555 -19.555 265 2HG PRO 37 1HG PRO 37 4.871 -21.151 -21.151 266 1HD PRO 37 2HD PRO 37 2.314 -20.511 -20.511 267 2HD PRO 37 1HD PRO 37 2.820 -22.156 -22.156 268 H ALA 38 H ALA 38 3.948 -19.388 -19.388 269 HA ALA 38 HA ALA 38 3.836 -17.320 -17.320 270 1HB ALA 38 2HB ALA 38 4.114 -16.900 -16.900 271 2HB ALA 38 1HB ALA 38 2.594 -16.053 -16.053 272 3HB ALA 38 3HB ALA 38 4.040 -15.604 -15.604 273 H GLY 39 H GLY 39 2.312 -15.470 -15.470 274 1HA GLY 39 2HA GLY 39 -0.508 -15.973 -15.973 275 2HA GLY 39 1HA GLY 39 0.074 -16.311 -16.311 276 H THR 40 H THR 40 0.006 -14.690 -14.690 277 HA THR 40 HA THR 40 -0.052 -11.939 -11.939 278 HB THR 40 HB THR 40 -1.408 -11.469 -11.469 279 HG1 THR 40 HG1 THR 40 -1.803 -14.267 -14.267 280 1HG2 THR 40 1HG2 THR 40 -2.432 -11.383 -11.383 281 2HG2 THR 40 3HG2 THR 40 -2.690 -13.128 -13.128 282 3HG2 THR 40 2HG2 THR 40 -3.525 -12.079 -12.079 283 H GLU 41 H GLU 41 1.749 -14.084 -14.084 284 HA GLU 41 HA GLU 41 3.492 -13.906 -13.906 285 1HB GLU 41 2HB GLU 41 3.547 -11.545 -11.545 286 2HB GLU 41 1HB GLU 41 4.221 -11.206 -11.206 287 1HG GLU 41 2HG GLU 41 5.627 -13.305 -13.305 288 2HG GLU 41 1HG GLU 41 5.136 -13.210 -13.210 289 H ASP 42 H ASP 42 0.665 -13.080 -13.080 290 HA ASP 42 HA ASP 42 -0.412 -12.205 -12.205 291 1HB ASP 42 2HB ASP 42 1.346 -14.050 -14.050 292 2HB ASP 42 1HB ASP 42 1.970 -12.659 -12.659 293 H TYR 43 H TYR 43 0.101 -10.079 -10.079 294 HA TYR 43 HA TYR 43 2.040 -8.307 -8.307 295 1HB TYR 43 2HB TYR 43 -0.564 -7.681 -7.681 296 2HB TYR 43 1HB TYR 43 0.757 -6.546 -6.546 297 HD1 TYR 43 HD1 TYR 43 2.866 -8.893 -8.893 298 HD2 TYR 43 HD2 TYR 43 -0.456 -7.270 -7.270 299 HE1 TYR 43 HE1 TYR 43 3.873 -9.605 -9.605 300 HE2 TYR 43 HE2 TYR 43 0.544 -7.980 -7.980 301 HH TYR 43 HH TYR 43 3.746 -8.940 -8.940 302 H ILE 44 H ILE 44 1.589 -6.277 -6.277 303 HA ILE 44 HA ILE 44 -0.418 -6.677 -6.677 304 HB ILE 44 HB ILE 44 2.327 -5.453 -5.453 305 1HG1 ILE 44 2HG1 ILE 44 2.825 -7.056 -7.056 306 2HG1 ILE 44 1HG1 ILE 44 1.173 -7.142 -7.142 307 1HG2 ILE 44 2HG2 ILE 44 -0.025 -4.568 -4.568 308 2HG2 ILE 44 1HG2 ILE 44 1.343 -4.996 -4.996 309 3HG2 ILE 44 3HG2 ILE 44 1.535 -3.779 -3.779 310 1HD1 ILE 44 1HD1 ILE 44 2.095 -8.283 -8.283 311 2HD1 ILE 44 3HD1 ILE 44 1.949 -9.199 -9.199 312 3HD1 ILE 44 2HD1 ILE 44 0.516 -8.488 -8.488 313 H HIS 45 H HIS 45 -2.141 -5.525 -5.525 314 HA HIS 45 HA HIS 45 -2.075 -3.157 -3.157 315 1HB HIS 45 2HB HIS 45 -4.050 -4.920 -4.920 316 2HB HIS 45 1HB HIS 45 -4.502 -3.258 -3.258 317 HD1 HIS 45 HD1 HIS 45 -3.354 -5.230 -5.230 318 HD2 HIS 45 HD2 HIS 45 -5.909 -2.128 -2.128 319 HE1 HIS 45 HE1 HIS 45 -4.546 -4.590 -4.590 320 HE2 HIS 45 HE2 HIS 45 -6.021 -2.651 -2.651 321 H ILE 46 H ILE 46 -2.476 -1.057 -1.057 322 HA ILE 46 HA ILE 46 -2.612 -0.239 -0.239 323 HB ILE 46 HB ILE 46 -0.295 0.350 0.350 324 1HG1 ILE 46 2HG1 ILE 46 0.790 0.242 0.242 325 2HG1 ILE 46 1HG1 ILE 46 -0.732 -0.499 -0.499 326 1HG2 ILE 46 3HG2 ILE 46 -1.469 2.186 2.186 327 2HG2 ILE 46 2HG2 ILE 46 0.253 2.227 2.227 328 3HG2 ILE 46 1HG2 ILE 46 -0.951 2.557 2.557 329 1HD1 ILE 46 3HD1 ILE 46 0.169 -1.780 -1.780 330 2HD1 ILE 46 2HD1 ILE 46 1.520 -1.687 -1.687 331 3HD1 ILE 46 1HD1 ILE 46 0.004 -2.442 -2.442 332 H ARG 47 H ARG 47 -4.468 0.890 0.890 333 HA ARG 47 HA ARG 47 -4.605 3.040 3.040 334 1HB ARG 47 2HB ARG 47 -5.887 1.001 1.001 335 2HB ARG 47 1HB ARG 47 -6.953 1.253 1.253 336 1HG ARG 47 2HG ARG 47 -7.523 3.480 3.480 337 2HG ARG 47 1HG ARG 47 -6.500 3.166 3.166 338 1HD ARG 47 2HD ARG 47 -8.608 2.606 2.606 339 2HD ARG 47 1HD ARG 47 -7.952 1.045 1.045 340 HE ARG 47 HE ARG 47 -9.584 0.914 0.914 341 1HH1 ARG 47 2HH1 ARG 47 -9.304 4.238 4.238 342 2HH1 ARG 47 1HH1 ARG 47 -10.682 4.765 4.765 343 1HH2 ARG 47 1HH2 ARG 47 -11.397 1.604 1.604 344 2HH2 ARG 47 2HH2 ARG 47 -11.870 3.270 3.270 345 H ILE 48 H ILE 48 -5.094 4.914 4.914 346 HA ILE 48 HA ILE 48 -5.663 5.306 5.306 347 HB ILE 48 HB ILE 48 -5.787 7.107 7.107 348 1HG1 ILE 48 2HG1 ILE 48 -4.051 7.180 7.180 349 2HG1 ILE 48 1HG1 ILE 48 -3.570 6.516 6.516 350 1HG2 ILE 48 2HG2 ILE 48 -6.548 7.819 7.819 351 2HG2 ILE 48 1HG2 ILE 48 -6.142 9.008 9.008 352 3HG2 ILE 48 3HG2 ILE 48 -7.541 7.954 7.954 353 1HD1 ILE 48 3HD1 ILE 48 -4.230 8.886 8.886 354 2HD1 ILE 48 2HD1 ILE 48 -3.987 9.345 9.345 355 3HD1 ILE 48 1HD1 ILE 48 -2.664 8.617 8.617 356 H GLN 49 H GLN 49 -7.588 6.323 6.323 357 HA GLN 49 HA GLN 49 -10.034 6.185 6.185 358 1HB GLN 49 2HB GLN 49 -11.205 4.651 4.651 359 2HB GLN 49 1HB GLN 49 -9.736 3.863 3.863 360 1HG GLN 49 2HG GLN 49 -8.823 4.865 4.865 361 2HG GLN 49 1HG GLN 49 -10.527 4.723 4.723 362 1HE2 GLN 49 2HE2 GLN 49 -9.765 1.485 1.485 363 2HE2 GLN 49 1HE2 GLN 49 -10.205 3.091 3.091 364 H GLN 50 H GLN 50 -9.715 8.466 8.466 365 HA GLN 50 HA GLN 50 -9.886 9.443 9.443 366 1HB GLN 50 2HB GLN 50 -9.147 10.509 10.509 367 2HB GLN 50 1HB GLN 50 -10.622 11.372 11.372 368 1HG GLN 50 2HG GLN 50 -9.685 12.286 12.286 369 2HG GLN 50 1HG GLN 50 -8.388 11.095 11.095 370 1HE2 GLN 50 2HE2 GLN 50 -6.549 13.888 13.888 371 2HE2 GLN 50 1HE2 GLN 50 -7.094 13.063 13.063 372 H ARG 51 H ARG 51 -11.727 8.818 8.818 373 HA ARG 51 HA ARG 51 -14.275 8.600 8.600 374 1HB ARG 51 2HB ARG 51 -13.262 9.032 9.032 375 2HB ARG 51 1HB ARG 51 -14.991 9.080 9.080 376 1HG ARG 51 2HG ARG 51 -15.101 6.847 6.847 377 2HG ARG 51 1HG ARG 51 -13.405 6.763 6.763 378 1HD ARG 51 2HD ARG 51 -13.976 5.617 5.617 379 2HD ARG 51 1HD ARG 51 -12.674 6.803 6.803 380 HE ARG 51 HE ARG 51 -15.189 7.973 7.973 381 1HH1 ARG 51 2HH1 ARG 51 -12.659 5.962 5.962 382 2HH1 ARG 51 1HH1 ARG 51 -12.988 6.407 6.407 383 1HH2 ARG 51 1HH2 ARG 51 -15.623 8.559 8.559 384 2HH2 ARG 51 2HH2 ARG 51 -14.670 7.881 7.881 385 H ASN 52 H ASN 52 -12.641 11.364 11.364 386 HA ASN 52 HA ASN 52 -14.806 13.090 13.090 387 1HB ASN 52 2HB ASN 52 -14.314 12.742 12.742 388 2HB ASN 52 1HB ASN 52 -13.200 14.062 14.062 389 1HD2 ASN 52 2HD2 ASN 52 -15.947 16.076 16.076 390 2HD2 ASN 52 1HD2 ASN 52 -14.464 15.390 15.390 391 H GLY 53 H GLY 53 -13.271 15.486 15.486 392 1HA GLY 53 2HA GLY 53 -11.515 15.569 15.569 393 2HA GLY 53 1HA GLY 53 -12.036 16.944 16.944 394 H ARG 54 H ARG 54 -10.549 13.958 13.958 395 HA ARG 54 HA ARG 54 -7.915 14.677 14.677 396 1HB ARG 54 2HB ARG 54 -7.805 15.413 15.413 397 2HB ARG 54 1HB ARG 54 -8.256 16.610 16.610 398 1HG ARG 54 2HG ARG 54 -10.454 16.673 16.673 399 2HG ARG 54 1HG ARG 54 -10.379 15.069 15.069 400 1HD ARG 54 2HD ARG 54 -10.476 16.752 16.752 401 2HD ARG 54 1HD ARG 54 -8.896 15.968 15.968 402 HE ARG 54 HE ARG 54 -8.545 18.168 18.168 403 1HH1 ARG 54 2HH1 ARG 54 -9.695 17.639 17.639 404 2HH1 ARG 54 1HH1 ARG 54 -9.138 19.172 19.172 405 1HH2 ARG 54 1HH2 ARG 54 -7.813 20.185 20.185 406 2HH2 ARG 54 2HH2 ARG 54 -8.070 20.618 20.618 407 H LYS 55 H LYS 55 -10.614 13.084 13.084 408 HA LYS 55 HA LYS 55 -9.133 11.365 11.365 409 1HB LYS 55 2HB LYS 55 -11.866 10.944 10.944 410 2HB LYS 55 1HB LYS 55 -11.197 10.042 10.042 411 1HG LYS 55 2HG LYS 55 -11.792 12.994 12.994 412 2HG LYS 55 1HG LYS 55 -12.778 11.743 11.743 413 1HD LYS 55 2HD LYS 55 -11.585 12.154 12.154 414 2HD LYS 55 1HD LYS 55 -10.283 11.270 11.270 415 1HE LYS 55 2HE LYS 55 -9.892 13.688 13.688 416 2HE LYS 55 1HE LYS 55 -10.617 14.176 14.176 417 1HZ LYS 55 2HZ LYS 55 -8.449 12.199 12.199 418 2HZ LYS 55 1HZ LYS 55 -8.055 13.827 13.827 419 3HZ LYS 55 3HZ LYS 55 -8.871 13.354 13.354 420 H THR 56 H THR 56 -7.485 11.057 11.057 421 HA THR 56 HA THR 56 -8.138 9.119 9.119 422 HB THR 56 HB THR 56 -5.307 9.545 9.545 423 HG1 THR 56 HG1 THR 56 -5.252 11.723 11.723 424 1HG2 THR 56 2HG2 THR 56 -7.135 9.498 9.498 425 2HG2 THR 56 1HG2 THR 56 -5.976 10.824 10.824 426 3HG2 THR 56 3HG2 THR 56 -5.403 9.164 9.164 427 H LEU 57 H LEU 57 -7.878 6.962 6.962 428 HA LEU 57 HA LEU 57 -6.361 5.845 5.845 429 1HB LEU 57 2HB LEU 57 -9.163 5.333 5.333 430 2HB LEU 57 1HB LEU 57 -8.225 3.946 3.946 431 HG LEU 57 HG LEU 57 -8.518 6.437 6.437 432 1HD1 LEU 57 1HD1 LEU 57 -10.650 4.970 4.970 433 2HD1 LEU 57 3HD1 LEU 57 -10.034 3.991 3.991 434 3HD1 LEU 57 2HD1 LEU 57 -10.434 5.689 5.689 435 1HD2 LEU 57 2HD2 LEU 57 -7.369 3.712 3.712 436 2HD2 LEU 57 1HD2 LEU 57 -6.718 5.286 5.286 437 3HD2 LEU 57 3HD2 LEU 57 -8.047 4.577 4.577 438 H THR 58 H THR 58 -4.674 5.697 5.697 439 HA THR 58 HA THR 58 -4.925 4.150 4.150 440 HB THR 58 HB THR 58 -2.477 4.567 4.567 441 HG1 THR 58 HG1 THR 58 -3.549 6.477 6.477 442 1HG2 THR 58 3HG2 THR 58 -2.618 2.811 2.811 443 2HG2 THR 58 2HG2 THR 58 -2.168 4.288 4.288 444 3HG2 THR 58 1HG2 THR 58 -1.161 3.689 3.689 445 H THR 59 H THR 59 -5.535 2.089 2.089 446 HA THR 59 HA THR 59 -4.926 0.273 0.273 447 HB THR 59 HB THR 59 -6.422 -1.192 -1.192 448 HG1 THR 59 HG1 THR 59 -7.933 0.110 0.110 449 1HG2 THR 59 1HG2 THR 59 -7.166 0.466 0.466 450 2HG2 THR 59 3HG2 THR 59 -8.416 -0.345 -0.345 451 3HG2 THR 59 2HG2 THR 59 -7.136 -1.288 -1.288 452 H VAL 60 H VAL 60 -4.479 -2.054 -2.054 453 HA VAL 60 HA VAL 60 -2.720 -2.178 -2.178 454 HB VAL 60 HB VAL 60 -1.954 -3.049 -3.049 455 1HG1 VAL 60 1HG1 VAL 60 -0.942 -3.885 -3.885 456 2HG1 VAL 60 3HG1 VAL 60 0.269 -3.509 -3.509 457 3HG1 VAL 60 2HG1 VAL 60 -0.944 -4.749 -4.749 458 1HG2 VAL 60 2HG2 VAL 60 -1.281 -0.781 -0.781 459 2HG2 VAL 60 1HG2 VAL 60 -1.254 -0.910 -0.910 460 3HG2 VAL 60 3HG2 VAL 60 0.087 -1.548 -1.548 461 H GLN 61 H GLN 61 -3.512 -3.722 -3.722 462 HA GLN 61 HA GLN 61 -4.838 -6.038 -6.038 463 1HB GLN 61 2HB GLN 61 -5.274 -4.474 -4.474 464 2HB GLN 61 1HB GLN 61 -5.141 -6.184 -6.184 465 1HG GLN 61 2HG GLN 61 -7.269 -6.389 -6.389 466 2HG GLN 61 1HG GLN 61 -6.800 -6.077 -6.077 467 1HE2 GLN 61 2HE2 GLN 61 -7.475 -2.461 -2.461 468 2HE2 GLN 61 1HE2 GLN 61 -6.052 -3.394 -3.394 469 H GLY 62 H GLY 62 -2.673 -6.854 -6.854 470 1HA GLY 62 2HA GLY 62 -1.837 -8.882 -8.882 471 2HA GLY 62 1HA GLY 62 -0.691 -7.552 -7.552 472 H ILE 63 H ILE 63 -0.375 -6.726 -6.726 473 HA ILE 63 HA ILE 63 1.298 -8.599 -8.599 474 HB ILE 63 HB ILE 63 0.040 -6.070 -6.070 475 1HG1 ILE 63 2HG1 ILE 63 2.139 -5.173 -5.173 476 2HG1 ILE 63 1HG1 ILE 63 2.946 -6.664 -6.664 477 1HG2 ILE 63 1HG2 ILE 63 1.294 -8.124 -8.124 478 2HG2 ILE 63 3HG2 ILE 63 1.538 -6.415 -6.415 479 3HG2 ILE 63 2HG2 ILE 63 -0.094 -7.082 -7.082 480 1HD1 ILE 63 2HD1 ILE 63 1.561 -6.324 -6.324 481 2HD1 ILE 63 1HD1 ILE 63 3.253 -5.901 -5.901 482 3HD1 ILE 63 3HD1 ILE 63 2.716 -7.567 -7.567 483 H ALA 64 H ALA 64 1.122 -9.894 -9.894 484 HA ALA 64 HA ALA 64 -1.600 -10.863 -10.863 485 1HB ALA 64 3HB ALA 64 1.105 -12.141 -12.141 486 2HB ALA 64 2HB ALA 64 -0.324 -12.844 -12.844 487 3HB ALA 64 1HB ALA 64 -0.270 -12.633 -12.633 488 H ASP 65 H ASP 65 -2.078 -11.628 -11.628 489 HA ASP 65 HA ASP 65 -1.505 -9.584 -9.584 490 1HB ASP 65 2HB ASP 65 -3.687 -10.756 -10.756 491 2HB ASP 65 1HB ASP 65 -2.895 -12.241 -12.241 492 H ASP 66 H ASP 66 0.145 -12.376 -12.376 493 HA ASP 66 HA ASP 66 1.360 -12.792 -12.792 494 1HB ASP 66 2HB ASP 66 0.672 -14.560 -14.560 495 2HB ASP 66 1HB ASP 66 2.393 -14.347 -14.347 496 H TYR 67 H TYR 67 1.812 -10.348 -10.348 497 HA TYR 67 HA TYR 67 4.626 -10.591 -10.591 498 1HB TYR 67 2HB TYR 67 2.491 -8.535 -8.535 499 2HB TYR 67 1HB TYR 67 4.183 -8.071 -8.071 500 HD1 TYR 67 HD2 TYR 67 3.234 -11.459 -11.459 501 HD2 TYR 67 HD1 TYR 67 3.797 -7.478 -7.478 502 HE1 TYR 67 HE2 TYR 67 3.273 -12.275 -12.275 503 HE2 TYR 67 HE1 TYR 67 3.836 -8.276 -8.276 504 HH TYR 67 HH TYR 67 2.865 -10.369 -10.369 505 H ASP 68 H ASP 68 3.982 -10.874 -10.874 506 HA ASP 68 HA ASP 68 5.002 -10.284 -10.284 507 1HB ASP 68 2HB ASP 68 6.640 -9.063 -9.063 508 2HB ASP 68 1HB ASP 68 5.885 -7.623 -7.623 509 H LYS 69 H LYS 69 2.745 -8.366 -8.366 510 HA LYS 69 HA LYS 69 0.994 -7.093 -7.093 511 1HB LYS 69 2HB LYS 69 0.650 -8.919 -8.919 512 2HB LYS 69 1HB LYS 69 1.684 -8.070 -8.070 513 1HG LYS 69 2HG LYS 69 -0.198 -6.176 -6.176 514 2HG LYS 69 1HG LYS 69 -1.119 -7.679 -7.679 515 1HD LYS 69 2HD LYS 69 -0.023 -8.057 -8.057 516 2HD LYS 69 1HD LYS 69 0.566 -6.396 -6.396 517 1HE LYS 69 2HE LYS 69 -2.092 -6.111 -6.111 518 2HE LYS 69 1HE LYS 69 -2.111 -7.412 -7.412 519 1HZ LYS 69 3HZ LYS 69 -0.362 -5.466 -5.466 520 2HZ LYS 69 2HZ LYS 69 -1.750 -4.652 -4.652 521 3HZ LYS 69 1HZ LYS 69 -1.876 -5.887 -5.887 522 H LYS 70 H LYS 70 3.074 -6.732 -6.732 523 HA LYS 70 HA LYS 70 2.726 -3.958 -3.958 524 1HB LYS 70 2HB LYS 70 5.063 -5.576 -5.576 525 2HB LYS 70 1HB LYS 70 4.555 -3.995 -3.995 526 1HG LYS 70 2HG LYS 70 2.949 -4.846 -4.846 527 2HG LYS 70 1HG LYS 70 2.463 -6.041 -6.041 528 1HD LYS 70 2HD LYS 70 5.098 -6.496 -6.496 529 2HD LYS 70 1HD LYS 70 3.722 -6.637 -6.637 530 1HE LYS 70 2HE LYS 70 3.120 -7.964 -7.964 531 2HE LYS 70 1HE LYS 70 4.671 -8.536 -8.536 532 1HZ LYS 70 2HZ LYS 70 3.532 -8.897 -8.897 533 2HZ LYS 70 1HZ LYS 70 2.060 -8.570 -8.570 534 3HZ LYS 70 3HZ LYS 70 2.989 -9.901 -9.901 535 H LYS 71 H LYS 71 5.776 -5.610 -5.610 536 HA LYS 71 HA LYS 71 7.155 -3.449 -3.449 537 1HB LYS 71 2HB LYS 71 7.549 -6.204 -6.204 538 2HB LYS 71 1HB LYS 71 7.660 -5.814 -5.814 539 1HG LYS 71 2HG LYS 71 9.462 -4.342 -4.342 540 2HG LYS 71 1HG LYS 71 9.201 -4.308 -4.308 541 1HD LYS 71 2HD LYS 71 9.729 -6.953 -6.953 542 2HD LYS 71 1HD LYS 71 11.080 -5.819 -5.819 543 1HE LYS 71 2HE LYS 71 10.865 -5.588 -5.588 544 2HE LYS 71 1HE LYS 71 9.401 -6.570 -6.570 545 1HZ LYS 71 1HZ LYS 71 11.794 -7.785 -7.785 546 2HZ LYS 71 3HZ LYS 71 11.784 -7.560 -7.560 547 3HZ LYS 71 2HZ LYS 71 10.571 -8.477 -8.477 548 H LEU 72 H LEU 72 4.519 -5.132 -5.132 549 HA LEU 72 HA LEU 72 4.987 -4.350 -4.350 550 1HB LEU 72 2HB LEU 72 3.418 -6.173 -6.173 551 2HB LEU 72 1HB LEU 72 2.257 -4.873 -4.873 552 HG LEU 72 HG LEU 72 3.394 -6.103 -6.103 553 1HD1 LEU 72 1HD1 LEU 72 1.007 -6.365 -6.365 554 2HD1 LEU 72 3HD1 LEU 72 0.604 -5.376 -5.376 555 3HD1 LEU 72 2HD1 LEU 72 1.357 -6.955 -6.955 556 1HD2 LEU 72 2HD2 LEU 72 3.681 -3.670 -3.670 557 2HD2 LEU 72 1HD2 LEU 72 2.448 -4.300 -4.300 558 3HD2 LEU 72 3HD2 LEU 72 1.971 -3.444 -3.444 559 H VAL 73 H VAL 73 2.185 -3.265 -3.265 560 HA VAL 73 HA VAL 73 2.203 -0.760 -0.760 561 HB VAL 73 HB VAL 73 0.117 -2.121 -2.121 562 1HG1 VAL 73 2HG1 VAL 73 0.647 -2.481 -2.481 563 2HG1 VAL 73 1HG1 VAL 73 0.392 -0.759 -0.759 564 3HG1 VAL 73 3HG1 VAL 73 -0.947 -1.771 -1.771 565 1HG2 VAL 73 1HG2 VAL 73 0.365 0.385 0.385 566 2HG2 VAL 73 3HG2 VAL 73 -1.201 -0.249 -0.249 567 3HG2 VAL 73 2HG2 VAL 73 -0.221 0.689 0.689 568 H LYS 74 H LYS 74 2.649 -1.844 -1.844 569 HA LYS 74 HA LYS 74 2.693 0.589 0.589 570 1HB LYS 74 2HB LYS 74 2.996 -1.857 -1.857 571 2HB LYS 74 1HB LYS 74 4.710 -1.509 -1.509 572 1HG LYS 74 2HG LYS 74 3.296 0.607 0.607 573 2HG LYS 74 1HG LYS 74 3.147 -0.956 -0.956 574 1HD LYS 74 2HD LYS 74 5.367 -1.070 -1.070 575 2HD LYS 74 1HD LYS 74 5.841 -0.187 -0.187 576 1HE LYS 74 2HE LYS 74 5.628 1.845 1.845 577 2HE LYS 74 1HE LYS 74 4.320 1.310 1.310 578 1HZ LYS 74 1HZ LYS 74 6.099 -0.027 -0.027 579 2HZ LYS 74 3HZ LYS 74 7.230 0.910 0.910 580 3HZ LYS 74 2HZ LYS 74 6.136 1.650 1.650 581 H ALA 75 H ALA 75 5.313 -1.005 -1.005 582 HA ALA 75 HA ALA 75 7.332 0.854 0.854 583 1HB ALA 75 3HB ALA 75 7.467 -1.505 -1.505 584 2HB ALA 75 2HB ALA 75 7.350 -0.582 -0.582 585 3HB ALA 75 1HB ALA 75 8.672 -0.274 -0.274 586 H PHE 76 H PHE 76 4.800 0.844 0.844 587 HA PHE 76 HA PHE 76 5.725 2.740 2.740 588 1HB PHE 76 2HB PHE 76 3.491 1.344 1.344 589 2HB PHE 76 1HB PHE 76 2.859 2.793 2.793 590 HD1 PHE 76 HD2 PHE 76 4.533 1.558 1.558 591 HD2 PHE 76 HD1 PHE 76 2.233 4.659 4.659 592 HE1 PHE 76 HE2 PHE 76 4.210 2.582 2.582 593 HE2 PHE 76 HE1 PHE 76 1.901 5.690 5.690 594 HZ PHE 76 HZ PHE 76 2.889 4.651 4.651 595 H LYS 77 H LYS 77 3.970 3.215 3.215 596 HA LYS 77 HA LYS 77 3.861 6.034 6.034 597 1HB LYS 77 2HB LYS 77 3.846 4.339 4.339 598 2HB LYS 77 1HB LYS 77 3.170 5.951 5.951 599 1HG LYS 77 2HG LYS 77 1.244 5.151 5.151 600 2HG LYS 77 1HG LYS 77 2.057 4.075 4.075 601 1HD LYS 77 2HD LYS 77 1.830 2.301 2.301 602 2HD LYS 77 1HD LYS 77 2.311 3.218 3.218 603 1HE LYS 77 2HE LYS 77 0.038 4.198 4.198 604 2HE LYS 77 1HE LYS 77 -0.421 3.168 3.168 605 1HZ LYS 77 3HZ LYS 77 0.521 1.332 1.332 606 2HZ LYS 77 2HZ LYS 77 0.046 2.466 2.466 607 3HZ LYS 77 1HZ LYS 77 -1.088 1.852 1.852 608 H LYS 78 H LYS 78 6.437 3.904 3.904 609 HA LYS 78 HA LYS 78 7.938 5.905 5.905 610 1HB LYS 78 2HB LYS 78 7.819 3.327 3.327 611 2HB LYS 78 1HB LYS 78 9.050 3.234 3.234 612 1HG LYS 78 2HG LYS 78 10.578 4.498 4.498 613 2HG LYS 78 1HG LYS 78 9.327 5.063 5.063 614 1HD LYS 78 2HD LYS 78 9.064 2.473 2.473 615 2HD LYS 78 1HD LYS 78 10.735 2.445 2.445 616 1HE LYS 78 2HE LYS 78 9.873 4.413 4.413 617 2HE LYS 78 1HE LYS 78 10.247 2.749 2.749 618 1HZ LYS 78 2HZ LYS 78 12.189 4.158 4.158 619 2HZ LYS 78 1HZ LYS 78 12.075 4.633 4.633 620 3HZ LYS 78 3HZ LYS 78 12.440 3.027 3.027 621 H LYS 79 H LYS 79 7.630 4.630 4.630 622 HA LYS 79 HA LYS 79 10.243 5.648 5.648 623 1HB LYS 79 2HB LYS 79 9.207 3.387 3.387 624 2HB LYS 79 1HB LYS 79 8.257 4.366 4.366 625 1HG LYS 79 2HG LYS 79 10.834 5.275 5.275 626 2HG LYS 79 1HG LYS 79 11.030 3.536 3.536 627 1HD LYS 79 2HD LYS 79 9.445 3.083 3.083 628 2HD LYS 79 1HD LYS 79 9.092 4.804 4.804 629 1HE LYS 79 2HE LYS 79 11.915 3.924 3.924 630 2HE LYS 79 1HE LYS 79 10.800 3.552 3.552 631 1HZ LYS 79 2HZ LYS 79 11.092 6.279 6.279 632 2HZ LYS 79 1HZ LYS 79 12.031 5.720 5.720 633 3HZ LYS 79 3HZ LYS 79 10.350 5.822 5.822 634 H PHE 80 H PHE 80 6.811 6.059 6.059 635 HA PHE 80 HA PHE 80 7.533 8.524 8.524 636 1HB PHE 80 2HB PHE 80 4.826 7.215 7.215 637 2HB PHE 80 1HB PHE 80 5.526 8.334 8.334 638 HD1 PHE 80 HD2 PHE 80 5.708 4.884 4.884 639 HD2 PHE 80 HD1 PHE 80 6.797 7.558 7.558 640 HE1 PHE 80 HE2 PHE 80 6.461 2.980 2.980 641 HE2 PHE 80 HE1 PHE 80 7.552 5.657 5.657 642 HZ PHE 80 HZ PHE 80 7.383 3.365 3.365 643 H ALA 81 H ALA 81 5.971 7.395 7.395 644 HA ALA 81 HA ALA 81 5.170 8.563 8.563 645 1HB ALA 81 2HB ALA 81 6.805 10.377 10.377 646 2HB ALA 81 1HB ALA 81 5.318 11.172 11.172 647 3HB ALA 81 3HB ALA 81 5.583 10.815 10.815 648 H CYS 82 H CYS 82 3.561 7.466 7.466 649 HA CYS 82 HA CYS 82 1.215 9.245 9.245 650 1HB CYS 82 2HB CYS 82 2.154 7.342 7.342 651 2HB CYS 82 1HB CYS 82 0.455 7.790 7.790 652 HG CYS 82 HG CYS 82 1.267 9.564 9.564 653 H ASN 83 H ASN 83 -0.895 8.036 8.036 654 HA ASN 83 HA ASN 83 -0.814 5.965 5.965 655 1HB ASN 83 2HB ASN 83 -2.932 7.693 7.693 656 2HB ASN 83 1HB ASN 83 -3.422 6.183 6.183 657 1HD2 ASN 83 2HD2 ASN 83 -2.056 7.271 7.271 658 2HD2 ASN 83 1HD2 ASN 83 -1.854 5.942 5.942 659 H GLY 84 H GLY 84 -1.468 3.854 3.854 660 1HA GLY 84 2HA GLY 84 -2.474 2.978 2.978 661 2HA GLY 84 1HA GLY 84 -0.899 2.359 2.359 662 H THR 85 H THR 85 -3.341 0.886 0.886 663 HA THR 85 HA THR 85 -3.401 -0.606 -0.606 664 HB THR 85 HB THR 85 -5.802 -0.679 -0.679 665 HG1 THR 85 HG1 THR 85 -5.796 0.932 0.932 666 1HG2 THR 85 2HG2 THR 85 -4.546 1.406 1.406 667 2HG2 THR 85 1HG2 THR 85 -5.327 2.225 2.225 668 3HG2 THR 85 3HG2 THR 85 -6.307 1.444 1.444 669 H VAL 86 H VAL 86 -4.456 -2.741 -2.741 670 HA VAL 86 HA VAL 86 -4.162 -3.728 -3.728 671 HB VAL 86 HB VAL 86 -2.440 -4.603 -4.603 672 1HG1 VAL 86 3HG1 VAL 86 -4.661 -4.877 -4.877 673 2HG1 VAL 86 2HG1 VAL 86 -3.822 -6.417 -6.417 674 3HG1 VAL 86 1HG1 VAL 86 -2.932 -4.983 -4.983 675 1HG2 VAL 86 3HG2 VAL 86 -3.494 -5.979 -5.979 676 2HG2 VAL 86 2HG2 VAL 86 -2.615 -6.871 -6.871 677 3HG2 VAL 86 1HG2 VAL 86 -4.377 -6.827 -6.827 678 H ILE 87 H ILE 87 -6.505 -2.993 -2.993 679 HA ILE 87 HA ILE 87 -8.428 -4.580 -4.580 680 HB ILE 87 HB ILE 87 -10.111 -3.431 -3.431 681 1HG1 ILE 87 2HG1 ILE 87 -8.519 -1.417 -1.417 682 2HG1 ILE 87 1HG1 ILE 87 -7.840 -2.970 -2.970 683 1HG2 ILE 87 1HG2 ILE 87 -9.328 -2.409 -2.409 684 2HG2 ILE 87 3HG2 ILE 87 -8.037 -1.594 -1.594 685 3HG2 ILE 87 2HG2 ILE 87 -9.720 -1.182 -1.182 686 1HD1 ILE 87 1HD1 ILE 87 -10.154 -3.648 -3.648 687 2HD1 ILE 87 3HD1 ILE 87 -10.638 -1.972 -1.972 688 3HD1 ILE 87 2HD1 ILE 87 -9.420 -2.362 -2.362 689 H GLU 88 H GLU 88 -10.045 -5.919 -5.919 690 HA GLU 88 HA GLU 88 -8.986 -7.365 -7.365 691 1HB GLU 88 2HB GLU 88 -9.357 -8.508 -8.508 692 2HB GLU 88 1HB GLU 88 -11.055 -8.492 -8.492 693 1HG GLU 88 2HG GLU 88 -10.270 -9.619 -9.619 694 2HG GLU 88 1HG GLU 88 -8.775 -9.935 -9.935 695 H HIS 89 H HIS 89 -10.035 -5.512 -5.512 696 HA HIS 89 HA HIS 89 -12.716 -4.956 -4.956 697 1HB HIS 89 2HB HIS 89 -10.609 -4.087 -4.087 698 2HB HIS 89 1HB HIS 89 -11.303 -5.152 -5.152 699 HD1 HIS 89 HD1 HIS 89 -13.172 -4.220 -4.220 700 HD2 HIS 89 HD2 HIS 89 -12.488 -2.025 -2.025 701 HE1 HIS 89 HE1 HIS 89 -14.680 -2.215 -2.215 702 HE2 HIS 89 HE2 HIS 89 -14.170 -0.847 -0.847 703 HA PRO 90 HA PRO 90 -14.466 -8.815 -8.815 704 1HB PRO 90 2HB PRO 90 -17.021 -7.989 -7.989 705 2HB PRO 90 1HB PRO 90 -16.281 -8.257 -8.257 706 1HG PRO 90 2HG PRO 90 -16.710 -5.691 -5.691 707 2HG PRO 90 1HG PRO 90 -16.965 -6.047 -6.047 708 1HD PRO 90 2HD PRO 90 -14.753 -4.772 -4.772 709 2HD PRO 90 1HD PRO 90 -14.740 -5.789 -5.789 710 H GLU 91 H GLU 91 -14.431 -5.839 -5.839 711 HA GLU 91 HA GLU 91 -15.616 -6.927 -6.927 712 1HB GLU 91 2HB GLU 91 -15.057 -4.329 -4.329 713 2HB GLU 91 1HB GLU 91 -14.284 -4.478 -4.478 714 1HG GLU 91 2HG GLU 91 -16.554 -3.541 -3.541 715 2HG GLU 91 1HG GLU 91 -16.375 -5.036 -5.036 716 H TYR 92 H TYR 92 -12.455 -6.474 -6.474 717 HA TYR 92 HA TYR 92 -11.244 -7.342 -7.342 718 1HB TYR 92 2HB TYR 92 -9.653 -6.098 -6.098 719 2HB TYR 92 1HB TYR 92 -9.310 -6.137 -6.137 720 HD1 TYR 92 HD2 TYR 92 -12.081 -5.202 -5.202 721 HD2 TYR 92 HD1 TYR 92 -9.411 -3.758 -3.758 722 HE1 TYR 92 HE2 TYR 92 -13.042 -2.953 -2.953 723 HE2 TYR 92 HE1 TYR 92 -10.363 -1.503 -1.503 724 HH TYR 92 HH TYR 92 -11.589 -0.197 -0.197 725 H GLY 93 H GLY 93 -10.839 -7.615 -7.615 726 1HA GLY 93 2HA GLY 93 -10.764 -9.761 -9.761 727 2HA GLY 93 1HA GLY 93 -10.104 -10.436 -10.436 728 H GLU 94 H GLU 94 -9.415 -8.804 -8.804 729 HA GLU 94 HA GLU 94 -7.487 -8.399 -8.399 730 1HB GLU 94 2HB GLU 94 -7.269 -10.903 -10.903 731 2HB GLU 94 1HB GLU 94 -6.001 -10.270 -10.270 732 1HG GLU 94 2HG GLU 94 -4.696 -9.583 -9.583 733 2HG GLU 94 1HG GLU 94 -6.043 -9.723 -9.723 734 H VAL 95 H VAL 95 -7.159 -6.278 -6.278 735 HA VAL 95 HA VAL 95 -4.942 -5.872 -5.872 736 HB VAL 95 HB VAL 95 -6.048 -3.914 -3.914 737 1HG1 VAL 95 3HG1 VAL 95 -6.114 -6.162 -6.162 738 2HG1 VAL 95 2HG1 VAL 95 -7.696 -6.418 -6.418 739 3HG1 VAL 95 1HG1 VAL 95 -7.471 -5.129 -5.129 740 1HG2 VAL 95 1HG2 VAL 95 -7.654 -3.672 -3.672 741 2HG2 VAL 95 3HG2 VAL 95 -8.274 -3.330 -3.330 742 3HG2 VAL 95 2HG2 VAL 95 -8.645 -4.868 -4.868 743 H ILE 96 H ILE 96 -3.582 -4.199 -4.199 744 HA ILE 96 HA ILE 96 -3.880 -3.186 -3.186 745 HB ILE 96 HB ILE 96 -1.711 -3.148 -3.148 746 1HG1 ILE 96 2HG1 ILE 96 -2.100 -4.802 -4.802 747 2HG1 ILE 96 1HG1 ILE 96 -0.469 -4.207 -4.207 748 1HG2 ILE 96 1HG2 ILE 96 -2.106 -1.024 -1.024 749 2HG2 ILE 96 3HG2 ILE 96 -0.471 -1.589 -1.589 750 3HG2 ILE 96 2HG2 ILE 96 -1.461 -0.903 -0.903 751 1HD1 ILE 96 1HD1 ILE 96 -2.343 -3.026 -3.026 752 2HD1 ILE 96 3HD1 ILE 96 -1.148 -4.272 -4.272 753 3HD1 ILE 96 2HD1 ILE 96 -0.625 -2.686 -2.686 754 H GLN 97 H GLN 97 -4.699 -1.285 -1.285 755 HA GLN 97 HA GLN 97 -5.403 0.598 0.598 756 1HB GLN 97 2HB GLN 97 -6.816 -0.418 -0.418 757 2HB GLN 97 1HB GLN 97 -6.661 1.324 1.324 758 1HG GLN 97 2HG GLN 97 -7.602 1.572 1.572 759 2HG GLN 97 1HG GLN 97 -7.870 -0.171 -0.171 760 1HE2 GLN 97 2HE2 GLN 97 -10.030 1.993 1.993 761 2HE2 GLN 97 1HE2 GLN 97 -8.369 2.364 2.364 762 H LEU 98 H LEU 98 -3.939 2.152 2.152 763 HA LEU 98 HA LEU 98 -2.573 3.225 3.225 764 1HB LEU 98 2HB LEU 98 -2.063 3.543 3.543 765 2HB LEU 98 1HB LEU 98 -1.192 4.438 4.438 766 HG LEU 98 HG LEU 98 -1.230 1.453 1.453 767 1HD1 LEU 98 3HD1 LEU 98 -0.447 2.727 2.727 768 2HD1 LEU 98 2HD1 LEU 98 1.061 2.544 2.544 769 3HD1 LEU 98 1HD1 LEU 98 0.073 1.129 1.129 770 1HD2 LEU 98 2HD2 LEU 98 0.287 3.697 3.697 771 2HD2 LEU 98 1HD2 LEU 98 -0.054 2.100 2.100 772 3HD2 LEU 98 3HD2 LEU 98 1.257 2.310 2.310 773 H GLN 99 H GLN 99 -2.405 5.542 5.542 774 HA GLN 99 HA GLN 99 -4.870 6.883 6.883 775 1HB GLN 99 2HB GLN 99 -3.255 6.917 6.917 776 2HB GLN 99 1HB GLN 99 -3.625 8.536 8.536 777 1HG GLN 99 2HG GLN 99 -5.797 6.504 6.504 778 2HG GLN 99 1HG GLN 99 -5.223 7.348 7.348 779 1HE2 GLN 99 2HE2 GLN 99 -7.865 9.082 9.082 780 2HE2 GLN 99 1HE2 GLN 99 -7.449 7.405 7.405 781 H GLY 100 H GLY 100 -4.817 8.414 8.414 782 1HA GLY 100 2HA GLY 100 -3.977 10.414 10.414 783 2HA GLY 100 1HA GLY 100 -2.385 10.018 10.018 784 H ASP 101 H ASP 101 -2.595 10.845 10.845 785 HA ASP 101 HA ASP 101 -2.926 8.739 8.739 786 1HB ASP 101 2HB ASP 101 -1.718 10.282 10.282 787 2HB ASP 101 1HB ASP 101 -3.102 11.016 11.016 788 H GLN 102 H GLN 102 -1.672 7.127 7.127 789 HA GLN 102 HA GLN 102 1.202 7.414 7.414 790 1HB GLN 102 2HB GLN 102 -0.445 5.026 5.026 791 2HB GLN 102 1HB GLN 102 1.260 5.293 5.293 792 1HG GLN 102 2HG GLN 102 -1.094 6.783 6.783 793 2HG GLN 102 1HG GLN 102 0.061 5.776 5.776 794 1HE2 GLN 102 2HE2 GLN 102 0.887 9.648 9.648 795 2HE2 GLN 102 1HE2 GLN 102 -0.476 8.825 8.825 796 H ARG 103 H ARG 103 -0.917 6.710 6.710 797 HA ARG 103 HA ARG 103 -0.302 4.354 4.354 798 1HB ARG 103 2HB ARG 103 -0.792 5.378 5.378 799 2HB ARG 103 1HB ARG 103 -1.874 6.026 6.026 800 1HG ARG 103 2HG ARG 103 -1.148 8.108 8.108 801 2HG ARG 103 1HG ARG 103 0.543 7.612 7.612 802 1HD ARG 103 2HD ARG 103 0.577 8.023 8.023 803 2HD ARG 103 1HD ARG 103 -0.487 6.634 6.634 804 HE ARG 103 HE ARG 103 -2.187 8.075 8.075 805 1HH1 ARG 103 2HH1 ARG 103 0.312 9.846 9.846 806 2HH1 ARG 103 1HH1 ARG 103 -0.453 11.383 11.383 807 1HH2 ARG 103 1HH2 ARG 103 -3.194 10.096 10.096 808 2HH2 ARG 103 2HH2 ARG 103 -2.444 11.525 11.525 809 H LYS 104 H LYS 104 1.802 7.119 7.119 810 HA LYS 104 HA LYS 104 3.823 5.808 5.808 811 1HB LYS 104 2HB LYS 104 3.077 8.322 8.322 812 2HB LYS 104 1HB LYS 104 4.180 8.543 8.543 813 1HG LYS 104 2HG LYS 104 5.390 9.012 9.012 814 2HG LYS 104 1HG LYS 104 5.956 7.449 7.449 815 1HD LYS 104 2HD LYS 104 5.646 6.850 6.850 816 2HD LYS 104 1HD LYS 104 3.981 6.624 6.624 817 1HE LYS 104 2HE LYS 104 4.103 7.897 7.897 818 2HE LYS 104 1HE LYS 104 3.398 8.844 8.844 819 1HZ LYS 104 2HZ LYS 104 6.282 9.054 9.054 820 2HZ LYS 104 1HZ LYS 104 5.246 9.832 9.832 821 3HZ LYS 104 3HZ LYS 104 5.192 10.220 10.220 822 H ASN 105 H ASN 105 3.036 6.550 6.550 823 HA ASN 105 HA ASN 105 5.755 6.233 6.233 824 1HB ASN 105 2HB ASN 105 3.113 6.762 6.762 825 2HB ASN 105 1HB ASN 105 4.546 6.353 6.353 826 1HD2 ASN 105 2HD2 ASN 105 3.972 10.072 10.072 827 2HD2 ASN 105 1HD2 ASN 105 2.798 8.809 8.809 828 H ILE 106 H ILE 106 2.751 4.366 4.366 829 HA ILE 106 HA ILE 106 3.709 2.276 2.276 830 HB ILE 106 HB ILE 106 1.301 2.696 2.696 831 1HG1 ILE 106 2HG1 ILE 106 0.645 0.383 0.383 832 2HG1 ILE 106 1HG1 ILE 106 2.115 -0.101 -0.101 833 1HG2 ILE 106 2HG2 ILE 106 1.406 3.130 3.130 834 2HG2 ILE 106 1HG2 ILE 106 1.821 1.445 1.445 835 3HG2 ILE 106 3HG2 ILE 106 0.243 1.862 1.862 836 1HD1 ILE 106 3HD1 ILE 106 2.561 1.316 1.316 837 2HD1 ILE 106 2HD1 ILE 106 1.736 -0.235 -0.235 838 3HD1 ILE 106 1HD1 ILE 106 3.312 -0.148 -0.148 839 H CYS 107 H CYS 107 3.432 2.557 2.557 840 HA CYS 107 HA CYS 107 4.445 0.054 0.054 841 1HB CYS 107 2HB CYS 107 5.156 1.106 1.106 842 2HB CYS 107 1HB CYS 107 3.522 1.576 1.576 843 HG CYS 107 HG CYS 107 5.985 3.461 3.461 844 H GLN 108 H GLN 108 6.009 2.976 2.976 845 HA GLN 108 HA GLN 108 8.697 2.249 2.249 846 1HB GLN 108 2HB GLN 108 7.318 4.279 4.279 847 2HB GLN 108 1HB GLN 108 9.000 3.925 3.925 848 1HG GLN 108 2HG GLN 108 8.330 4.455 4.455 849 2HG GLN 108 1HG GLN 108 8.243 5.814 5.814 850 1HE2 GLN 108 2HE2 GLN 108 11.895 4.001 4.001 851 2HE2 GLN 108 1HE2 GLN 108 10.451 3.094 3.094 852 H PHE 109 H PHE 109 6.625 1.987 1.987 853 HA PHE 109 HA PHE 109 8.423 0.952 0.952 854 1HB PHE 109 2HB PHE 109 6.056 1.750 1.750 855 2HB PHE 109 1HB PHE 109 5.506 0.197 0.197 856 HD1 PHE 109 HD2 PHE 109 7.904 1.531 1.531 857 HD2 PHE 109 HD1 PHE 109 5.011 -1.421 -1.421 858 HE1 PHE 109 HE2 PHE 109 8.101 0.572 0.572 859 HE2 PHE 109 HE1 PHE 109 5.201 -2.383 -2.383 860 HZ PHE 109 HZ PHE 109 6.748 -1.391 -1.391 861 H LEU 110 H LEU 110 6.183 -0.847 -0.847 862 HA LEU 110 HA LEU 110 6.938 -3.417 -3.417 863 1HB LEU 110 2HB LEU 110 5.852 -2.252 -2.252 864 2HB LEU 110 1HB LEU 110 6.256 -3.955 -3.955 865 HG LEU 110 HG LEU 110 4.612 -4.329 -4.329 866 1HD1 LEU 110 2HD1 LEU 110 4.944 -2.235 -2.235 867 2HD1 LEU 110 1HD1 LEU 110 4.094 -1.360 -1.360 868 3HD1 LEU 110 3HD1 LEU 110 3.239 -2.563 -2.563 869 1HD2 LEU 110 2HD2 LEU 110 3.932 -3.138 -3.138 870 2HD2 LEU 110 1HD2 LEU 110 3.235 -4.535 -4.535 871 3HD2 LEU 110 3HD2 LEU 110 2.656 -2.914 -2.914 872 H VAL 111 H VAL 111 8.534 -1.110 -1.110 873 HA VAL 111 HA VAL 111 10.444 -3.096 -3.096 874 HB VAL 111 HB VAL 111 10.277 -0.134 -0.134 875 1HG1 VAL 111 2HG1 VAL 111 12.154 -2.268 -2.268 876 2HG1 VAL 111 1HG1 VAL 111 11.631 -1.146 -1.146 877 3HG1 VAL 111 3HG1 VAL 111 12.420 -0.535 -0.535 878 1HG2 VAL 111 2HG2 VAL 111 8.377 -1.730 -1.730 879 2HG2 VAL 111 1HG2 VAL 111 9.068 -0.591 -0.591 880 3HG2 VAL 111 3HG2 VAL 111 9.558 -2.285 -2.285 881 H GLU 112 H GLU 112 10.146 -0.627 -0.627 882 HA GLU 112 HA GLU 112 12.993 -0.355 -0.355 883 1HB GLU 112 2HB GLU 112 10.588 0.724 0.724 884 2HB GLU 112 1HB GLU 112 12.251 1.071 1.071 885 1HG GLU 112 2HG GLU 112 11.759 1.608 1.608 886 2HG GLU 112 1HG GLU 112 10.678 2.519 2.519 887 H ILE 113 H ILE 113 10.212 -1.703 -1.703 888 HA ILE 113 HA ILE 113 11.957 -2.853 -2.853 889 HB ILE 113 HB ILE 113 9.888 -3.559 -3.559 890 1HG1 ILE 113 2HG1 ILE 113 8.135 -2.052 -2.052 891 2HG1 ILE 113 1HG1 ILE 113 8.779 -3.543 -3.543 892 1HG2 ILE 113 1HG2 ILE 113 10.887 -1.140 -1.140 893 2HG2 ILE 113 3HG2 ILE 113 9.387 -0.731 -0.731 894 3HG2 ILE 113 2HG2 ILE 113 9.333 -1.469 -1.469 895 1HD1 ILE 113 3HD1 ILE 113 7.554 -3.581 -3.581 896 2HD1 ILE 113 2HD1 ILE 113 6.522 -3.534 -3.534 897 3HD1 ILE 113 1HD1 ILE 113 7.661 -4.861 -4.861 898 H GLY 114 H GLY 114 11.669 -3.801 -3.801 899 1HA GLY 114 2HA GLY 114 11.637 -5.799 -5.799 900 2HA GLY 114 1HA GLY 114 12.303 -6.460 -6.460 901 H LEU 115 H LEU 115 9.098 -5.136 -5.136 902 HA LEU 115 HA LEU 115 7.882 -7.484 -7.484 903 1HB LEU 115 2HB LEU 115 7.264 -4.910 -4.910 904 2HB LEU 115 1HB LEU 115 6.247 -5.248 -5.248 905 HG LEU 115 HG LEU 115 5.019 -6.911 -6.911 906 1HD1 LEU 115 2HD1 LEU 115 7.320 -6.791 -6.791 907 2HD1 LEU 115 1HD1 LEU 115 5.751 -6.895 -6.895 908 3HD1 LEU 115 3HD1 LEU 115 6.229 -8.126 -8.126 909 1HD2 LEU 115 2HD2 LEU 115 4.885 -4.264 -4.264 910 2HD2 LEU 115 1HD2 LEU 115 3.771 -5.459 -5.459 911 3HD2 LEU 115 3HD2 LEU 115 5.139 -4.900 -4.900 912 H ALA 116 H ALA 116 7.040 -5.508 -5.508 913 HA ALA 116 HA ALA 116 6.134 -7.950 -7.950 914 1HB ALA 116 1HB ALA 116 4.735 -5.771 -5.771 915 2HB ALA 116 3HB ALA 116 5.700 -5.212 -5.212 916 3HB ALA 116 2HB ALA 116 4.704 -6.659 -6.659 917 H LYS 117 H LYS 117 6.404 -7.651 -7.651 918 HA LYS 117 HA LYS 117 9.284 -7.279 -7.279 919 1HB LYS 117 2HB LYS 117 7.531 -9.327 -9.327 920 2HB LYS 117 1HB LYS 117 7.880 -8.457 -8.457 921 1HG LYS 117 2HG LYS 117 9.427 -10.303 -10.303 922 2HG LYS 117 1HG LYS 117 10.264 -8.750 -8.750 923 1HD LYS 117 2HD LYS 117 9.471 -9.333 -9.333 924 2HD LYS 117 1HD LYS 117 10.208 -10.793 -10.793 925 1HE LYS 117 2HE LYS 117 11.426 -8.035 -8.035 926 2HE LYS 117 1HE LYS 117 11.891 -9.409 -9.409 927 1HZ LYS 117 3HZ LYS 117 12.228 -10.509 -10.509 928 2HZ LYS 117 2HZ LYS 117 12.438 -8.902 -8.902 929 3HZ LYS 117 1HZ LYS 117 13.439 -9.563 -9.563 930 H ASP 118 H ASP 118 10.024 -6.235 -6.235 931 HA ASP 118 HA ASP 118 8.723 -3.797 -3.797 932 1HB ASP 118 2HB ASP 118 10.697 -5.025 -5.025 933 2HB ASP 118 1HB ASP 118 10.434 -3.320 -3.320 934 H ASP 119 H ASP 119 8.483 -6.921 -6.921 935 HA ASP 119 HA ASP 119 7.103 -5.993 -5.993 936 1HB ASP 119 2HB ASP 119 7.282 -8.804 -8.804 937 2HB ASP 119 1HB ASP 119 6.811 -8.348 -8.348 938 H GLN 120 H GLN 120 6.298 -6.807 -6.807 939 HA GLN 120 HA GLN 120 3.484 -7.237 -7.237 940 1HB GLN 120 2HB GLN 120 4.866 -7.136 -7.136 941 2HB GLN 120 1HB GLN 120 3.243 -7.726 -7.726 942 1HG GLN 120 2HG GLN 120 4.399 -9.431 -9.431 943 2HG GLN 120 1HG GLN 120 5.871 -8.980 -8.980 944 1HE2 GLN 120 2HE2 GLN 120 4.176 -10.072 -10.072 945 2HE2 GLN 120 1HE2 GLN 120 4.640 -8.534 -8.534 946 H LEU 121 H LEU 121 5.459 -4.613 -4.613 947 HA LEU 121 HA LEU 121 4.007 -2.934 -2.934 948 1HB LEU 121 2HB LEU 121 5.914 -2.423 -2.423 949 2HB LEU 121 1HB LEU 121 5.113 -1.093 -1.093 950 HG LEU 121 HG LEU 121 6.747 -3.135 -3.135 951 1HD1 LEU 121 1HD1 LEU 121 8.162 -2.074 -2.074 952 2HD1 LEU 121 3HD1 LEU 121 7.677 -0.486 -0.486 953 3HD1 LEU 121 2HD1 LEU 121 8.606 -1.571 -1.571 954 1HD2 LEU 121 2HD2 LEU 121 5.000 -1.290 -1.290 955 2HD2 LEU 121 1HD2 LEU 121 6.409 -1.863 -1.863 956 3HD2 LEU 121 3HD2 LEU 121 6.494 -0.353 -0.353 957 H LYS 122 H LYS 122 1.802 -3.443 -3.443 958 HA LYS 122 HA LYS 122 0.897 -2.334 -2.334 959 1HB LYS 122 2HB LYS 122 -0.171 -4.266 -4.266 960 2HB LYS 122 1HB LYS 122 -1.370 -3.215 -3.215 961 1HG LYS 122 2HG LYS 122 0.612 -4.859 -4.859 962 2HG LYS 122 1HG LYS 122 -1.025 -5.389 -5.389 963 1HD LYS 122 2HD LYS 122 -1.985 -3.968 -3.968 964 2HD LYS 122 1HD LYS 122 -0.748 -2.728 -2.728 965 1HE LYS 122 2HE LYS 122 0.769 -3.855 -3.855 966 2HE LYS 122 1HE LYS 122 -0.207 -5.324 -5.324 967 1HZ LYS 122 3HZ LYS 122 -1.024 -2.730 -2.730 968 2HZ LYS 122 2HZ LYS 122 -0.438 -4.060 -4.060 969 3HZ LYS 122 1HZ LYS 122 -1.912 -4.170 -4.170 970 H VAL 123 H VAL 123 1.521 -0.158 -0.158 971 HA VAL 123 HA VAL 123 -0.197 0.985 0.985 972 HB VAL 123 HB VAL 123 2.177 1.607 1.607 973 1HG1 VAL 123 3HG1 VAL 123 2.043 1.609 1.609 974 2HG1 VAL 123 2HG1 VAL 123 1.840 3.336 3.336 975 3HG1 VAL 123 1HG1 VAL 123 3.271 2.502 2.502 976 1HG2 VAL 123 3HG2 VAL 123 0.239 3.843 3.843 977 2HG2 VAL 123 2HG2 VAL 123 0.653 3.167 3.167 978 3HG2 VAL 123 1HG2 VAL 123 1.856 4.076 4.076 979 H HIS 124 H HIS 124 -2.090 1.863 1.863 980 HA HIS 124 HA HIS 124 -2.578 2.875 2.875 981 1HB HIS 124 2HB HIS 124 -4.609 1.907 1.907 982 2HB HIS 124 1HB HIS 124 -4.949 2.429 2.429 983 HD1 HIS 124 HD1 HIS 124 -4.962 0.638 0.638 984 HD2 HIS 124 HD2 HIS 124 -2.924 -0.510 -0.510 985 HE1 HIS 124 HE1 HIS 124 -4.351 -1.775 -1.775 986 HE2 HIS 124 HE2 HIS 124 -2.980 -2.395 -2.395 987 H GLY 125 H GLY 125 -2.851 3.542 3.542 988 1HA GLY 125 2HA GLY 125 -3.397 5.452 5.452 989 2HA GLY 125 1HA GLY 125 -2.452 6.236 6.236 990 H PHE 126 HN PHE 126 -5.724 4.827 4.827 991 HA PHE 126 HA PHE 126 -7.778 5.703 5.703 992 1HB PHE 126 2HB PHE 126 -6.308 7.874 7.874 993 2HB PHE 126 1HB PHE 126 -6.944 8.419 8.419 994 HD1 PHE 126 HD2 PHE 126 -9.532 6.751 6.751 995 HD2 PHE 126 HD1 PHE 126 -7.526 9.381 9.381 996 HE1 PHE 126 HE2 PHE 126 -11.682 7.279 7.279 997 HE2 PHE 126 HE1 PHE 126 -9.675 9.916 9.916 998 HZ PHE 126 HZ PHE 126 -11.754 8.864 8.864 Start of MODEL 22 1 1H MET 1 1H MET 1 12.979 -36.017 -36.017 2 2H MET 1 3H MET 1 12.808 -35.148 -35.148 3 3H MET 1 2H MET 1 14.115 -36.242 -36.242 4 HA MET 1 HA MET 1 12.769 -38.077 -38.077 5 1HB MET 1 2HB MET 1 13.082 -36.443 -36.443 6 2HB MET 1 1HB MET 1 11.329 -36.368 -36.368 7 1HG MET 1 2HG MET 1 11.051 -38.497 -38.497 8 2HG MET 1 1HG MET 1 12.533 -39.059 -39.059 9 1HE MET 1 2HE MET 1 11.392 -36.441 -36.441 10 2HE MET 1 1HE MET 1 11.083 -37.745 -37.745 11 3HE MET 1 3HE MET 1 12.421 -36.628 -36.628 12 H ARG 2 H ARG 2 11.352 -38.711 -38.711 13 HA ARG 2 HA ARG 2 8.920 -37.187 -37.187 14 1HB ARG 2 2HB ARG 2 10.195 -38.049 -38.049 15 2HB ARG 2 1HB ARG 2 9.956 -39.692 -39.692 16 1HG ARG 2 2HG ARG 2 8.077 -39.808 -39.808 17 2HG ARG 2 1HG ARG 2 7.404 -38.506 -38.506 18 1HD ARG 2 2HD ARG 2 7.254 -37.903 -37.903 19 2HD ARG 2 1HD ARG 2 8.439 -36.866 -36.866 20 HE ARG 2 HE ARG 2 9.939 -38.885 -38.885 21 1HH1 ARG 2 2HH1 ARG 2 7.585 -36.709 -36.709 22 2HH1 ARG 2 1HH1 ARG 2 8.318 -36.712 -36.712 23 1HH2 ARG 2 1HH2 ARG 2 10.904 -38.890 -38.890 24 2HH2 ARG 2 2HH2 ARG 2 10.203 -37.950 -37.950 25 H GLY 3 H GLY 3 7.431 -37.505 -37.505 26 1HA GLY 3 2HA GLY 3 7.003 -40.181 -40.181 27 2HA GLY 3 1HA GLY 3 6.272 -38.695 -38.695 28 H SER 4 H SER 4 5.240 -41.432 -41.432 29 HA SER 4 HA SER 4 3.711 -41.079 -41.079 30 1HB SER 4 2HB SER 4 2.659 -43.108 -43.108 31 2HB SER 4 1HB SER 4 4.248 -43.252 -43.252 32 HG SER 4 HG SER 4 2.038 -43.620 -43.620 33 H HIS 5 H HIS 5 2.012 -39.828 -39.828 34 HA HIS 5 HA HIS 5 0.495 -38.804 -38.804 35 1HB HIS 5 2HB HIS 5 1.705 -37.370 -37.370 36 2HB HIS 5 1HB HIS 5 0.116 -37.578 -37.578 37 HD1 HIS 5 HD1 HIS 5 1.226 -34.819 -34.819 38 HD2 HIS 5 HD2 HIS 5 -1.328 -37.287 -37.287 39 HE1 HIS 5 HE1 HIS 5 0.048 -33.307 -33.307 40 HE2 HIS 5 HE2 HIS 5 -1.429 -34.837 -34.837 41 H HIS 6 H HIS 6 -0.955 -40.497 -40.497 42 HA HIS 6 HA HIS 6 -2.704 -41.105 -41.105 43 1HB HIS 6 2HB HIS 6 -1.731 -42.640 -42.640 44 2HB HIS 6 1HB HIS 6 -3.442 -42.864 -42.864 45 HD1 HIS 6 HD1 HIS 6 -1.285 -42.235 -42.235 46 HD2 HIS 6 HD2 HIS 6 -2.752 -45.511 -45.511 47 HE1 HIS 6 HE1 HIS 6 -0.902 -44.216 -44.216 48 HE2 HIS 6 HE2 HIS 6 -1.883 -46.173 -46.173 49 H HIS 7 H HIS 7 -3.704 -38.961 -38.961 50 HA HIS 7 HA HIS 7 -5.273 -38.565 -38.565 51 1HB HIS 7 2HB HIS 7 -4.290 -36.681 -36.681 52 2HB HIS 7 1HB HIS 7 -5.384 -37.063 -37.063 53 HD1 HIS 7 HD1 HIS 7 -6.209 -36.828 -36.828 54 HD2 HIS 7 HD2 HIS 7 -7.131 -34.983 -34.983 55 HE1 HIS 7 HE1 HIS 7 -8.024 -35.174 -35.174 56 HE2 HIS 7 HE2 HIS 7 -8.623 -34.128 -34.128 57 H HIS 8 H HIS 8 -6.999 -39.805 -39.805 58 HA HIS 8 HA HIS 8 -9.276 -39.688 -39.688 59 1HB HIS 8 2HB HIS 8 -7.878 -41.180 -41.180 60 2HB HIS 8 1HB HIS 8 -7.851 -42.353 -42.353 61 HD1 HIS 8 HD1 HIS 8 -11.070 -40.628 -40.628 62 HD2 HIS 8 HD2 HIS 8 -9.234 -44.085 -44.085 63 HE1 HIS 8 HE1 HIS 8 -12.917 -42.019 -42.019 64 HE2 HIS 8 HE2 HIS 8 -11.796 -44.146 -44.146 65 H HIS 9 H HIS 9 -10.091 -39.204 -39.204 66 HA HIS 9 HA HIS 9 -11.171 -41.454 -41.454 67 1HB HIS 9 2HB HIS 9 -10.129 -40.805 -40.805 68 2HB HIS 9 1HB HIS 9 -9.102 -41.676 -41.676 69 HD1 HIS 9 HD1 HIS 9 -6.814 -40.771 -40.771 70 HD2 HIS 9 HD2 HIS 9 -9.672 -37.775 -37.775 71 HE1 HIS 9 HE1 HIS 9 -5.518 -38.624 -38.624 72 HE2 HIS 9 HE2 HIS 9 -7.266 -36.835 -36.835 73 H HIS 10 H HIS 10 -12.307 -39.265 -39.265 74 HA HIS 10 HA HIS 10 -13.394 -37.719 -37.719 75 1HB HIS 10 2HB HIS 10 -14.060 -36.078 -36.078 76 2HB HIS 10 1HB HIS 10 -12.389 -36.102 -36.102 77 HD1 HIS 10 HD1 HIS 10 -14.365 -37.948 -37.948 78 HD2 HIS 10 HD2 HIS 10 -10.706 -36.071 -36.071 79 HE1 HIS 10 HE1 HIS 10 -13.158 -38.122 -38.122 80 HE2 HIS 10 HE2 HIS 10 -10.979 -36.907 -36.907 81 H THR 11 H THR 11 -15.263 -38.636 -38.636 82 HA THR 11 HA THR 11 -17.096 -39.510 -39.510 83 HB THR 11 HB THR 11 -18.229 -40.626 -40.626 84 HG1 THR 11 HG1 THR 11 -15.518 -40.476 -40.476 85 1HG2 THR 11 3HG2 THR 11 -16.904 -41.684 -41.684 86 2HG2 THR 11 2HG2 THR 11 -15.693 -41.970 -41.970 87 3HG2 THR 11 1HG2 THR 11 -17.319 -42.630 -42.630 88 H ASP 12 H ASP 12 -16.918 -36.786 -36.786 89 HA ASP 12 HA ASP 12 -19.577 -36.280 -36.280 90 1HB ASP 12 2HB ASP 12 -17.134 -34.551 -34.551 91 2HB ASP 12 1HB ASP 12 -18.763 -34.202 -34.202 92 HA PRO 13 HA PRO 13 -19.615 -34.474 -34.474 93 1HB PRO 13 2HB PRO 13 -22.291 -34.612 -34.612 94 2HB PRO 13 1HB PRO 13 -21.237 -36.006 -36.006 95 1HG PRO 13 2HG PRO 13 -22.887 -35.302 -35.302 96 2HG PRO 13 1HG PRO 13 -22.683 -36.875 -36.875 97 1HD PRO 13 2HD PRO 13 -21.346 -36.188 -36.188 98 2HD PRO 13 1HD PRO 13 -20.661 -37.273 -37.273 99 H MET 14 H MET 14 -20.573 -33.366 -33.366 100 HA MET 14 HA MET 14 -21.286 -31.336 -31.336 101 1HB MET 14 2HB MET 14 -19.343 -30.810 -30.810 102 2HB MET 14 1HB MET 14 -20.688 -29.921 -29.921 103 1HG MET 14 2HG MET 14 -20.266 -28.259 -28.259 104 2HG MET 14 1HG MET 14 -20.689 -29.310 -29.310 105 1HE MET 14 2HE MET 14 -17.963 -28.318 -28.318 106 2HE MET 14 1HE MET 14 -16.446 -28.643 -28.643 107 3HE MET 14 3HE MET 14 -17.398 -29.978 -29.978 108 H SER 15 H SER 15 -23.149 -33.047 -33.047 109 HA SER 15 HA SER 15 -25.249 -33.093 -33.093 110 1HB SER 15 2HB SER 15 -25.850 -31.650 -31.650 111 2HB SER 15 1HB SER 15 -25.187 -30.239 -30.239 112 HG SER 15 HG SER 15 -27.595 -31.565 -31.565 113 H ALA 16 H ALA 16 -22.941 -32.380 -32.380 114 HA ALA 16 HA ALA 16 -22.430 -31.792 -31.792 115 1HB ALA 16 3HB ALA 16 -25.420 -31.848 -31.848 116 2HB ALA 16 2HB ALA 16 -24.427 -31.385 -31.385 117 3HB ALA 16 1HB ALA 16 -24.241 -32.984 -32.984 118 H ILE 17 H ILE 17 -22.496 -29.888 -29.888 119 HA ILE 17 HA ILE 17 -23.582 -27.404 -27.404 120 HB ILE 17 HB ILE 17 -21.734 -28.231 -28.231 121 1HG1 ILE 17 2HG1 ILE 17 -24.181 -26.541 -26.541 122 2HG1 ILE 17 1HG1 ILE 17 -24.371 -28.256 -28.256 123 1HG2 ILE 17 3HG2 ILE 17 -22.010 -25.529 -25.529 124 2HG2 ILE 17 2HG2 ILE 17 -22.055 -25.658 -25.658 125 3HG2 ILE 17 1HG2 ILE 17 -20.662 -26.267 -26.267 126 1HD1 ILE 17 1HD1 ILE 17 -22.715 -28.531 -28.531 127 2HD1 ILE 17 3HD1 ILE 17 -23.297 -26.919 -26.919 128 3HD1 ILE 17 2HD1 ILE 17 -24.437 -28.257 -28.257 129 H GLN 18 H GLN 18 -22.803 -26.905 -26.905 130 HA GLN 18 HA GLN 18 -19.888 -26.594 -26.594 131 1HB GLN 18 2HB GLN 18 -21.882 -26.643 -26.643 132 2HB GLN 18 1HB GLN 18 -20.135 -26.817 -26.817 133 1HG GLN 18 2HG GLN 18 -20.728 -28.896 -28.896 134 2HG GLN 18 1HG GLN 18 -22.206 -28.802 -28.802 135 1HE2 GLN 18 2HE2 GLN 18 -20.641 -30.827 -30.827 136 2HE2 GLN 18 1HE2 GLN 18 -21.919 -30.616 -30.616 137 H ASN 19 H ASN 19 -19.224 -24.582 -24.582 138 HA ASN 19 HA ASN 19 -20.184 -22.399 -22.399 139 1HB ASN 19 2HB ASN 19 -22.039 -22.597 -22.597 140 2HB ASN 19 1HB ASN 19 -20.866 -22.268 -22.268 141 1HD2 ASN 19 2HD2 ASN 19 -22.627 -19.270 -19.270 142 2HD2 ASN 19 1HD2 ASN 19 -23.141 -20.919 -20.919 143 H LEU 20 H LEU 20 -18.629 -23.266 -23.266 144 HA LEU 20 HA LEU 20 -16.919 -21.045 -21.045 145 1HB LEU 20 2HB LEU 20 -17.462 -22.751 -22.751 146 2HB LEU 20 1HB LEU 20 -16.279 -23.796 -23.796 147 HG LEU 20 HG LEU 20 -14.518 -22.164 -22.164 148 1HD1 LEU 20 2HD1 LEU 20 -16.740 -20.540 -20.540 149 2HD1 LEU 20 1HD1 LEU 20 -15.023 -20.211 -20.211 150 3HD1 LEU 20 3HD1 LEU 20 -15.727 -20.107 -20.107 151 1HD2 LEU 20 1HD2 LEU 20 -16.203 -22.985 -22.985 152 2HD2 LEU 20 3HD2 LEU 20 -14.765 -23.776 -23.776 153 3HD2 LEU 20 2HD2 LEU 20 -14.623 -22.223 -22.223 154 H HIS 21 H HIS 21 -15.999 -24.385 -24.385 155 HA HIS 21 HA HIS 21 -14.359 -23.403 -23.403 156 1HB HIS 21 2HB HIS 21 -13.246 -24.368 -24.368 157 2HB HIS 21 1HB HIS 21 -12.487 -24.999 -24.999 158 HD1 HIS 21 HD1 HIS 21 -13.376 -21.629 -21.629 159 HD2 HIS 21 HD2 HIS 21 -10.605 -23.353 -23.353 160 HE1 HIS 21 HE1 HIS 21 -11.727 -19.806 -19.806 161 HE2 HIS 21 HE2 HIS 21 -10.101 -20.852 -20.852 162 H SER 22 H SER 22 -15.543 -24.620 -24.620 163 HA SER 22 HA SER 22 -14.863 -27.388 -27.388 164 1HB SER 22 2HB SER 22 -16.952 -27.054 -27.054 165 2HB SER 22 1HB SER 22 -17.817 -27.049 -27.049 166 HG SER 22 HG SER 22 -17.148 -29.146 -29.146 167 H PHE 23 H PHE 23 -14.354 -27.422 -27.422 168 HA PHE 23 HA PHE 23 -16.010 -25.933 -25.933 169 1HB PHE 23 2HB PHE 23 -14.091 -26.452 -26.452 170 2HB PHE 23 1HB PHE 23 -13.715 -25.379 -25.379 171 HD1 PHE 23 HD2 PHE 23 -13.347 -28.816 -28.816 172 HD2 PHE 23 HD1 PHE 23 -12.107 -25.971 -25.971 173 HE1 PHE 23 HE2 PHE 23 -11.496 -30.300 -30.300 174 HE2 PHE 23 HE1 PHE 23 -10.253 -27.448 -27.448 175 HZ PHE 23 HZ PHE 23 -9.947 -29.616 -29.616 176 H ASP 24 H ASP 24 -17.432 -26.962 -26.962 177 HA ASP 24 HA ASP 24 -16.951 -29.766 -29.766 178 1HB ASP 24 2HB ASP 24 -19.252 -28.663 -28.663 179 2HB ASP 24 1HB ASP 24 -19.611 -29.879 -29.879 180 HA PRO 25 HA PRO 25 -17.787 -28.213 -28.213 181 1HB PRO 25 2HB PRO 25 -18.674 -31.015 -31.015 182 2HB PRO 25 1HB PRO 25 -17.512 -30.036 -30.036 183 1HG PRO 25 2HG PRO 25 -16.685 -31.975 -31.975 184 2HG PRO 25 1HG PRO 25 -15.797 -30.444 -30.444 185 1HD PRO 25 2HD PRO 25 -17.624 -31.410 -31.410 186 2HD PRO 25 1HD PRO 25 -16.145 -30.436 -30.436 187 H PHE 26 H PHE 26 -20.084 -30.060 -30.060 188 HA PHE 26 HA PHE 26 -22.302 -29.134 -29.134 189 1HB PHE 26 2HB PHE 26 -22.504 -30.974 -30.974 190 2HB PHE 26 1HB PHE 26 -23.650 -30.775 -30.775 191 HD1 PHE 26 HD1 PHE 26 -20.265 -32.025 -32.025 192 HD2 PHE 26 HD2 PHE 26 -23.508 -32.097 -32.097 193 HE1 PHE 26 HE1 PHE 26 -19.204 -33.897 -33.897 194 HE2 PHE 26 HE2 PHE 26 -22.453 -33.971 -33.971 195 HZ PHE 26 HZ PHE 26 -20.299 -34.873 -34.873 196 H ALA 27 H ALA 27 -20.594 -27.938 -27.938 197 HA ALA 27 HA ALA 27 -22.892 -26.377 -26.377 198 1HB ALA 27 2HB ALA 27 -22.045 -28.357 -28.357 199 2HB ALA 27 1HB ALA 27 -20.888 -27.121 -27.121 200 3HB ALA 27 3HB ALA 27 -22.618 -26.823 -26.823 201 H ASP 28 H ASP 28 -22.189 -24.593 -24.593 202 HA ASP 28 HA ASP 28 -19.658 -23.407 -23.407 203 1HB ASP 28 2HB ASP 28 -19.774 -22.173 -22.173 204 2HB ASP 28 1HB ASP 28 -19.202 -23.837 -23.837 205 H ALA 29 H ALA 29 -22.938 -22.752 -22.752 206 HA ALA 29 HA ALA 29 -22.895 -19.972 -19.972 207 1HB ALA 29 2HB ALA 29 -24.971 -21.977 -21.977 208 2HB ALA 29 1HB ALA 29 -25.507 -20.467 -20.467 209 3HB ALA 29 3HB ALA 29 -24.586 -20.436 -20.436 210 H SER 30 H SER 30 -21.998 -19.840 -19.840 211 HA SER 30 HA SER 30 -24.024 -20.090 -20.090 212 1HB SER 30 2HB SER 30 -22.913 -22.145 -22.145 213 2HB SER 30 1HB SER 30 -21.327 -21.435 -21.435 214 HG SER 30 HG SER 30 -21.259 -20.739 -20.739 215 H LYS 31 H LYS 31 -20.677 -19.119 -19.119 216 HA LYS 31 HA LYS 31 -21.191 -16.616 -16.616 217 1HB LYS 31 2HB LYS 31 -19.684 -18.437 -18.437 218 2HB LYS 31 1HB LYS 31 -18.460 -17.833 -17.833 219 1HG LYS 31 2HG LYS 31 -18.008 -16.328 -16.328 220 2HG LYS 31 1HG LYS 31 -19.496 -15.527 -15.527 221 1HD LYS 31 2HD LYS 31 -20.455 -17.424 -17.424 222 2HD LYS 31 1HD LYS 31 -18.904 -17.037 -17.037 223 1HE LYS 31 2HE LYS 31 -21.110 -15.103 -15.103 224 2HE LYS 31 1HE LYS 31 -20.627 -15.613 -15.613 225 1HZ LYS 31 1HZ LYS 31 -18.327 -14.683 -14.683 226 2HZ LYS 31 3HZ LYS 31 -19.304 -13.760 -13.760 227 3HZ LYS 31 2HZ LYS 31 -19.506 -13.656 -13.656 228 H GLY 32 H GLY 32 -18.994 -18.260 -18.260 229 1HA GLY 32 2HA GLY 32 -18.781 -17.294 -17.294 230 2HA GLY 32 1HA GLY 32 -18.808 -15.710 -15.710 231 H ASP 33 H ASP 33 -17.028 -15.901 -15.901 232 HA ASP 33 HA ASP 33 -14.539 -15.793 -15.793 233 1HB ASP 33 2HB ASP 33 -15.150 -15.703 -15.703 234 2HB ASP 33 1HB ASP 33 -13.585 -15.331 -15.331 235 H ASP 34 H ASP 34 -13.354 -17.485 -17.485 236 HA ASP 34 HA ASP 34 -13.617 -19.990 -19.990 237 1HB ASP 34 2HB ASP 34 -12.597 -19.284 -19.284 238 2HB ASP 34 1HB ASP 34 -12.158 -20.819 -20.819 239 H LEU 35 H LEU 35 -11.220 -17.595 -17.595 240 HA LEU 35 HA LEU 35 -9.203 -18.997 -18.997 241 1HB LEU 35 2HB LEU 35 -8.972 -16.959 -16.959 242 2HB LEU 35 1HB LEU 35 -7.622 -17.361 -17.361 243 HG LEU 35 HG LEU 35 -9.067 -19.489 -19.489 244 1HD1 LEU 35 2HD1 LEU 35 -8.340 -17.726 -17.726 245 2HD1 LEU 35 1HD1 LEU 35 -6.694 -17.902 -17.902 246 3HD1 LEU 35 3HD1 LEU 35 -7.477 -19.247 -19.247 247 1HD2 LEU 35 2HD2 LEU 35 -7.367 -19.856 -19.856 248 2HD2 LEU 35 1HD2 LEU 35 -7.247 -20.821 -20.821 249 3HD2 LEU 35 3HD2 LEU 35 -6.168 -19.447 -19.447 250 H LEU 36 H LEU 36 -7.735 -17.627 -17.627 251 HA LEU 36 HA LEU 36 -8.814 -15.052 -15.052 252 1HB LEU 36 2HB LEU 36 -8.356 -17.318 -17.318 253 2HB LEU 36 1HB LEU 36 -8.772 -15.671 -15.671 254 HG LEU 36 HG LEU 36 -10.557 -17.416 -17.416 255 1HD1 LEU 36 2HD1 LEU 36 -10.040 -18.285 -18.285 256 2HD1 LEU 36 1HD1 LEU 36 -10.960 -16.890 -16.890 257 3HD1 LEU 36 3HD1 LEU 36 -11.732 -18.098 -18.098 258 1HD2 LEU 36 3HD2 LEU 36 -10.681 -14.806 -14.806 259 2HD2 LEU 36 2HD2 LEU 36 -12.151 -15.776 -15.776 260 3HD2 LEU 36 1HD2 LEU 36 -11.441 -15.124 -15.124 261 HA PRO 37 HA PRO 37 -4.550 -13.947 -13.947 262 1HB PRO 37 2HB PRO 37 -4.658 -12.137 -12.137 263 2HB PRO 37 1HB PRO 37 -5.055 -11.765 -11.765 264 1HG PRO 37 2HG PRO 37 -6.873 -12.399 -12.399 265 2HG PRO 37 1HG PRO 37 -7.078 -11.218 -11.218 266 1HD PRO 37 2HD PRO 37 -8.369 -13.576 -13.576 267 2HD PRO 37 1HD PRO 37 -7.792 -12.820 -12.820 268 H ALA 38 H ALA 38 -5.768 -13.871 -13.871 269 HA ALA 38 HA ALA 38 -4.994 -14.808 -14.808 270 1HB ALA 38 3HB ALA 38 -4.204 -16.960 -16.960 271 2HB ALA 38 2HB ALA 38 -4.063 -17.130 -17.130 272 3HB ALA 38 1HB ALA 38 -5.647 -16.893 -16.893 273 H GLY 39 H GLY 39 -2.997 -15.534 -15.534 274 1HA GLY 39 2HA GLY 39 -0.745 -15.374 -15.374 275 2HA GLY 39 1HA GLY 39 -0.444 -15.092 -15.092 276 H THR 40 H THR 40 -0.489 -13.720 -13.720 277 HA THR 40 HA THR 40 0.022 -11.080 -11.080 278 HB THR 40 HB THR 40 -1.397 -9.943 -9.943 279 HG1 THR 40 HG1 THR 40 -2.434 -10.956 -10.956 280 1HG2 THR 40 2HG2 THR 40 -2.911 -12.232 -12.232 281 2HG2 THR 40 1HG2 THR 40 -3.635 -10.772 -10.772 282 3HG2 THR 40 3HG2 THR 40 -2.587 -10.665 -10.665 283 H GLU 41 H GLU 41 1.436 -13.411 -13.411 284 HA GLU 41 HA GLU 41 3.059 -13.702 -13.702 285 1HB GLU 41 2HB GLU 41 3.508 -11.171 -11.171 286 2HB GLU 41 1HB GLU 41 4.196 -11.177 -11.177 287 1HG GLU 41 2HG GLU 41 4.911 -13.632 -13.632 288 2HG GLU 41 1HG GLU 41 5.128 -12.459 -12.459 289 H ASP 42 H ASP 42 0.376 -12.745 -12.745 290 HA ASP 42 HA ASP 42 -0.650 -11.942 -11.942 291 1HB ASP 42 2HB ASP 42 1.576 -13.694 -13.694 292 2HB ASP 42 1HB ASP 42 0.966 -12.657 -12.657 293 H TYR 43 H TYR 43 0.087 -9.742 -9.742 294 HA TYR 43 HA TYR 43 2.179 -8.325 -8.325 295 1HB TYR 43 2HB TYR 43 -0.292 -7.229 -7.229 296 2HB TYR 43 1HB TYR 43 1.172 -6.326 -6.326 297 HD1 TYR 43 HD1 TYR 43 3.013 -8.763 -8.763 298 HD2 TYR 43 HD2 TYR 43 -0.178 -6.689 -6.689 299 HE1 TYR 43 HE1 TYR 43 3.937 -9.363 -9.363 300 HE2 TYR 43 HE2 TYR 43 0.737 -7.294 -7.294 301 HH TYR 43 HH TYR 43 3.151 -9.633 -9.633 302 H ILE 44 H ILE 44 1.642 -6.188 -6.188 303 HA ILE 44 HA ILE 44 -0.251 -6.822 -6.822 304 HB ILE 44 HB ILE 44 2.193 -5.046 -5.046 305 1HG1 ILE 44 2HG1 ILE 44 2.944 -7.293 -7.293 306 2HG1 ILE 44 1HG1 ILE 44 2.970 -6.808 -6.808 307 1HG2 ILE 44 3HG2 ILE 44 0.216 -4.404 -4.404 308 2HG2 ILE 44 2HG2 ILE 44 0.510 -5.912 -5.912 309 3HG2 ILE 44 1HG2 ILE 44 1.757 -4.667 -4.667 310 1HD1 ILE 44 1HD1 ILE 44 0.713 -7.906 -7.906 311 2HD1 ILE 44 3HD1 ILE 44 0.999 -8.595 -8.595 312 3HD1 ILE 44 2HD1 ILE 44 2.085 -8.981 -8.981 313 H HIS 45 H HIS 45 -2.099 -5.873 -5.873 314 HA HIS 45 HA HIS 45 -2.212 -3.361 -3.361 315 1HB HIS 45 2HB HIS 45 -3.979 -5.494 -5.494 316 2HB HIS 45 1HB HIS 45 -4.720 -4.041 -4.041 317 HD1 HIS 45 HD1 HIS 45 -3.578 -5.556 -5.556 318 HD2 HIS 45 HD2 HIS 45 -5.661 -2.231 -2.231 319 HE1 HIS 45 HE1 HIS 45 -4.592 -4.512 -4.512 320 HE2 HIS 45 HE2 HIS 45 -5.782 -2.457 -2.457 321 H ILE 46 H ILE 46 -2.018 -1.428 -1.428 322 HA ILE 46 HA ILE 46 -2.154 -0.998 -0.998 323 HB ILE 46 HB ILE 46 -1.700 0.996 0.996 324 1HG1 ILE 46 2HG1 ILE 46 0.024 -0.779 -0.779 325 2HG1 ILE 46 1HG1 ILE 46 0.657 0.815 0.815 326 1HG2 ILE 46 1HG2 ILE 46 -1.592 1.227 1.227 327 2HG2 ILE 46 3HG2 ILE 46 -0.644 2.294 2.294 328 3HG2 ILE 46 2HG2 ILE 46 -2.403 2.272 2.272 329 1HD1 ILE 46 2HD1 ILE 46 0.139 0.099 0.099 330 2HD1 ILE 46 1HD1 ILE 46 0.177 -1.528 -1.528 331 3HD1 ILE 46 3HD1 ILE 46 1.594 -0.485 -0.485 332 H ARG 47 H ARG 47 -3.446 1.518 1.518 333 HA ARG 47 HA ARG 47 -5.593 2.220 2.220 334 1HB ARG 47 2HB ARG 47 -6.267 -0.236 -0.236 335 2HB ARG 47 1HB ARG 47 -6.702 0.359 0.359 336 1HG ARG 47 2HG ARG 47 -8.700 0.484 0.484 337 2HG ARG 47 1HG ARG 47 -8.075 2.127 2.127 338 1HD ARG 47 2HD ARG 47 -8.601 1.774 1.774 339 2HD ARG 47 1HD ARG 47 -6.990 1.056 1.056 340 HE ARG 47 HE ARG 47 -8.576 -1.033 -1.033 341 1HH1 ARG 47 2HH1 ARG 47 -8.690 1.334 1.334 342 2HH1 ARG 47 1HH1 ARG 47 -9.445 0.260 0.260 343 1HH2 ARG 47 1HH2 ARG 47 -9.567 -2.449 -2.449 344 2HH2 ARG 47 2HH2 ARG 47 -9.944 -1.887 -1.887 345 H ILE 48 H ILE 48 -6.400 4.032 4.032 346 HA ILE 48 HA ILE 48 -5.953 4.685 4.685 347 HB ILE 48 HB ILE 48 -5.148 6.079 6.079 348 1HG1 ILE 48 2HG1 ILE 48 -5.388 7.038 7.038 349 2HG1 ILE 48 1HG1 ILE 48 -4.026 6.163 6.163 350 1HG2 ILE 48 3HG2 ILE 48 -7.510 6.889 6.889 351 2HG2 ILE 48 2HG2 ILE 48 -7.275 7.709 7.709 352 3HG2 ILE 48 1HG2 ILE 48 -6.294 8.156 8.156 353 1HD1 ILE 48 2HD1 ILE 48 -4.750 8.614 8.614 354 2HD1 ILE 48 1HD1 ILE 48 -4.190 8.859 8.859 355 3HD1 ILE 48 3HD1 ILE 48 -3.167 8.005 8.005 356 H GLN 49 H GLN 49 -7.533 6.453 6.453 357 HA GLN 49 HA GLN 49 -10.110 6.521 6.521 358 1HB GLN 49 2HB GLN 49 -11.381 5.417 5.417 359 2HB GLN 49 1HB GLN 49 -10.209 4.295 4.295 360 1HG GLN 49 2HG GLN 49 -8.827 5.384 5.384 361 2HG GLN 49 1HG GLN 49 -10.474 5.339 5.339 362 1HE2 GLN 49 2HE2 GLN 49 -10.540 1.911 1.911 363 2HE2 GLN 49 1HE2 GLN 49 -11.355 3.432 3.432 364 H GLN 50 H GLN 50 -10.144 8.685 8.685 365 HA GLN 50 HA GLN 50 -9.728 9.921 9.921 366 1HB GLN 50 2HB GLN 50 -8.482 10.582 10.582 367 2HB GLN 50 1HB GLN 50 -9.933 11.545 11.545 368 1HG GLN 50 2HG GLN 50 -9.548 12.741 12.741 369 2HG GLN 50 1HG GLN 50 -8.190 11.695 11.695 370 1HE2 GLN 50 2HE2 GLN 50 -6.247 14.310 14.310 371 2HE2 GLN 50 1HE2 GLN 50 -6.841 13.517 13.517 372 H ARG 51 H ARG 51 -11.490 10.392 10.392 373 HA ARG 51 HA ARG 51 -13.988 10.923 10.923 374 1HB ARG 51 2HB ARG 51 -13.537 10.274 10.274 375 2HB ARG 51 1HB ARG 51 -15.103 10.511 10.511 376 1HG ARG 51 2HG ARG 51 -15.176 8.404 8.404 377 2HG ARG 51 1HG ARG 51 -13.580 8.526 8.526 378 1HD ARG 51 2HD ARG 51 -12.709 7.288 7.288 379 2HD ARG 51 1HD ARG 51 -13.256 8.453 8.453 380 HE ARG 51 HE ARG 51 -15.482 7.001 7.001 381 1HH1 ARG 51 2HH1 ARG 51 -12.223 6.152 6.152 382 2HH1 ARG 51 1HH1 ARG 51 -12.702 4.723 4.723 383 1HH2 ARG 51 1HH2 ARG 51 -16.113 5.121 5.121 384 2HH2 ARG 51 2HH2 ARG 51 -14.909 4.138 4.138 385 H ASN 52 H ASN 52 -15.151 12.799 12.799 386 HA ASN 52 HA ASN 52 -15.508 15.002 15.002 387 1HB ASN 52 2HB ASN 52 -15.459 14.140 14.140 388 2HB ASN 52 1HB ASN 52 -13.764 14.615 14.615 389 1HD2 ASN 52 2HD2 ASN 52 -15.252 17.474 17.474 390 2HD2 ASN 52 1HD2 ASN 52 -14.641 15.896 15.896 391 H GLY 53 H GLY 53 -13.005 13.981 13.981 392 1HA GLY 53 2HA GLY 53 -11.201 14.907 14.907 393 2HA GLY 53 1HA GLY 53 -11.905 16.469 16.469 394 H ARG 54 H ARG 54 -10.684 13.946 13.946 395 HA ARG 54 HA ARG 54 -8.223 15.207 15.207 396 1HB ARG 54 2HB ARG 54 -8.618 16.285 16.285 397 2HB ARG 54 1HB ARG 54 -9.824 16.894 16.894 398 1HG ARG 54 2HG ARG 54 -11.450 15.280 15.280 399 2HG ARG 54 1HG ARG 54 -10.236 14.847 14.847 400 1HD ARG 54 2HD ARG 54 -10.208 17.104 17.104 401 2HD ARG 54 1HD ARG 54 -11.292 17.637 17.637 402 HE ARG 54 HE ARG 54 -12.638 15.636 15.636 403 1HH1 ARG 54 2HH1 ARG 54 -11.259 18.727 18.727 404 2HH1 ARG 54 1HH1 ARG 54 -12.405 19.033 19.033 405 1HH2 ARG 54 1HH2 ARG 54 -14.147 16.037 16.037 406 2HH2 ARG 54 2HH2 ARG 54 -14.046 17.506 17.506 407 H LYS 55 H LYS 55 -10.838 13.236 13.236 408 HA LYS 55 HA LYS 55 -9.185 11.784 11.784 409 1HB LYS 55 2HB LYS 55 -11.827 12.061 12.061 410 2HB LYS 55 1HB LYS 55 -11.668 10.553 10.553 411 1HG LYS 55 2HG LYS 55 -12.108 9.943 9.943 412 2HG LYS 55 1HG LYS 55 -10.381 9.669 9.669 413 1HD LYS 55 2HD LYS 55 -10.258 12.170 12.170 414 2HD LYS 55 1HD LYS 55 -11.783 11.707 11.707 415 1HE LYS 55 2HE LYS 55 -9.286 10.047 10.047 416 2HE LYS 55 1HE LYS 55 -9.666 11.348 11.348 417 1HZ LYS 55 2HZ LYS 55 -11.939 10.037 10.037 418 2HZ LYS 55 1HZ LYS 55 -10.938 8.741 8.741 419 3HZ LYS 55 3HZ LYS 55 -10.630 9.626 9.626 420 H THR 56 H THR 56 -7.499 11.533 11.533 421 HA THR 56 HA THR 56 -7.963 9.463 9.463 422 HB THR 56 HB THR 56 -5.171 10.066 10.066 423 HG1 THR 56 HG1 THR 56 -5.213 12.178 12.178 424 1HG2 THR 56 2HG2 THR 56 -6.060 9.016 9.016 425 2HG2 THR 56 1HG2 THR 56 -6.592 10.642 10.642 426 3HG2 THR 56 3HG2 THR 56 -4.880 10.318 10.318 427 H LEU 57 H LEU 57 -7.267 7.354 7.354 428 HA LEU 57 HA LEU 57 -5.823 6.328 6.328 429 1HB LEU 57 2HB LEU 57 -8.704 5.894 5.894 430 2HB LEU 57 1HB LEU 57 -7.779 4.458 4.458 431 HG LEU 57 HG LEU 57 -7.494 6.871 6.871 432 1HD1 LEU 57 2HD1 LEU 57 -10.005 5.921 5.921 433 2HD1 LEU 57 1HD1 LEU 57 -9.560 5.018 5.018 434 3HD1 LEU 57 3HD1 LEU 57 -9.532 6.781 6.781 435 1HD2 LEU 57 2HD2 LEU 57 -7.004 3.966 3.966 436 2HD2 LEU 57 1HD2 LEU 57 -6.107 5.306 5.306 437 3HD2 LEU 57 3HD2 LEU 57 -7.587 4.732 4.732 438 H THR 58 H THR 58 -4.187 5.491 5.491 439 HA THR 58 HA THR 58 -4.655 4.066 4.066 440 HB THR 58 HB THR 58 -2.114 4.433 4.433 441 HG1 THR 58 HG1 THR 58 -3.283 6.336 6.336 442 1HG2 THR 58 3HG2 THR 58 -2.292 2.583 2.583 443 2HG2 THR 58 2HG2 THR 58 -2.155 3.957 3.957 444 3HG2 THR 58 1HG2 THR 58 -0.884 3.642 3.642 445 H THR 59 H THR 59 -5.286 2.002 2.002 446 HA THR 59 HA THR 59 -4.755 0.309 0.309 447 HB THR 59 HB THR 59 -6.120 -1.296 -1.296 448 HG1 THR 59 HG1 THR 59 -7.151 1.319 1.319 449 1HG2 THR 59 2HG2 THR 59 -6.683 0.014 0.014 450 2HG2 THR 59 1HG2 THR 59 -8.041 0.346 0.346 451 3HG2 THR 59 3HG2 THR 59 -7.565 -1.319 -1.319 452 H VAL 60 H VAL 60 -4.261 -2.075 -2.075 453 HA VAL 60 HA VAL 60 -2.339 -2.270 -2.270 454 HB VAL 60 HB VAL 60 -1.704 -3.027 -3.027 455 1HG1 VAL 60 2HG1 VAL 60 -0.349 -3.629 -3.629 456 2HG1 VAL 60 1HG1 VAL 60 0.611 -3.423 -3.423 457 3HG1 VAL 60 3HG1 VAL 60 -0.627 -4.677 -4.677 458 1HG2 VAL 60 3HG2 VAL 60 -0.913 -0.770 -0.770 459 2HG2 VAL 60 2HG2 VAL 60 -1.307 -0.770 -0.770 460 3HG2 VAL 60 1HG2 VAL 60 0.251 -1.389 -1.389 461 H GLN 61 H GLN 61 -2.831 -3.981 -3.981 462 HA GLN 61 HA GLN 61 -4.041 -6.314 -6.314 463 1HB GLN 61 2HB GLN 61 -5.155 -4.782 -4.782 464 2HB GLN 61 1HB GLN 61 -4.432 -6.104 -6.104 465 1HG GLN 61 2HG GLN 61 -5.641 -7.515 -7.515 466 2HG GLN 61 1HG GLN 61 -6.703 -6.109 -6.109 467 1HE2 GLN 61 2HE2 GLN 61 -7.215 -6.775 -6.775 468 2HE2 GLN 61 1HE2 GLN 61 -6.369 -5.550 -5.550 469 H GLY 62 H GLY 62 -3.463 -8.395 -8.395 470 1HA GLY 62 2HA GLY 62 -2.136 -9.859 -9.859 471 2HA GLY 62 1HA GLY 62 -1.088 -8.499 -8.499 472 H ILE 63 H ILE 63 -1.076 -7.688 -7.688 473 HA ILE 63 HA ILE 63 1.254 -9.148 -9.148 474 HB ILE 63 HB ILE 63 -0.375 -7.048 -7.048 475 1HG1 ILE 63 2HG1 ILE 63 0.771 -5.881 -5.881 476 2HG1 ILE 63 1HG1 ILE 63 1.999 -5.898 -5.898 477 1HG2 ILE 63 2HG2 ILE 63 1.728 -8.785 -8.785 478 2HG2 ILE 63 1HG2 ILE 63 1.998 -7.065 -7.065 479 3HG2 ILE 63 3HG2 ILE 63 0.514 -7.827 -7.827 480 1HD1 ILE 63 3HD1 ILE 63 2.864 -8.011 -8.011 481 2HD1 ILE 63 2HD1 ILE 63 1.864 -7.489 -7.489 482 3HD1 ILE 63 1HD1 ILE 63 3.156 -6.446 -6.446 483 H ALA 64 H ALA 64 1.571 -10.532 -10.532 484 HA ALA 64 HA ALA 64 -0.729 -12.144 -12.144 485 1HB ALA 64 1HB ALA 64 1.784 -12.841 -12.841 486 2HB ALA 64 3HB ALA 64 1.921 -12.680 -12.680 487 3HB ALA 64 2HB ALA 64 0.744 -13.795 -13.795 488 H ASP 65 H ASP 65 -1.642 -12.367 -12.367 489 HA ASP 65 HA ASP 65 -1.469 -10.187 -10.187 490 1HB ASP 65 2HB ASP 65 -3.437 -11.814 -11.814 491 2HB ASP 65 1HB ASP 65 -2.639 -12.855 -12.855 492 H ASP 66 H ASP 66 0.490 -12.927 -12.927 493 HA ASP 66 HA ASP 66 1.304 -12.945 -12.945 494 1HB ASP 66 2HB ASP 66 1.917 -14.746 -14.746 495 2HB ASP 66 1HB ASP 66 2.789 -14.863 -14.863 496 H TYR 67 H TYR 67 1.906 -10.647 -10.647 497 HA TYR 67 HA TYR 67 4.760 -10.830 -10.830 498 1HB TYR 67 2HB TYR 67 2.616 -8.835 -8.835 499 2HB TYR 67 1HB TYR 67 4.279 -8.267 -8.267 500 HD1 TYR 67 HD1 TYR 67 3.843 -11.661 -11.661 501 HD2 TYR 67 HD2 TYR 67 3.922 -7.586 -7.586 502 HE1 TYR 67 HE1 TYR 67 4.177 -12.366 -12.366 503 HE2 TYR 67 HE2 TYR 67 4.254 -8.273 -8.273 504 HH TYR 67 HH TYR 67 3.575 -10.793 -10.793 505 H ASP 68 H ASP 68 3.922 -11.132 -11.132 506 HA ASP 68 HA ASP 68 4.792 -10.560 -10.560 507 1HB ASP 68 2HB ASP 68 6.684 -9.586 -9.586 508 2HB ASP 68 1HB ASP 68 5.996 -8.036 -8.036 509 H LYS 69 H LYS 69 2.753 -8.606 -8.606 510 HA LYS 69 HA LYS 69 1.090 -7.157 -7.157 511 1HB LYS 69 2HB LYS 69 1.310 -8.897 -8.897 512 2HB LYS 69 1HB LYS 69 1.099 -7.280 -7.280 513 1HG LYS 69 2HG LYS 69 -0.820 -7.192 -7.192 514 2HG LYS 69 1HG LYS 69 -0.762 -8.942 -8.942 515 1HD LYS 69 2HD LYS 69 -2.344 -8.244 -8.244 516 2HD LYS 69 1HD LYS 69 -0.868 -8.415 -8.415 517 1HE LYS 69 2HE LYS 69 -0.476 -6.009 -6.009 518 2HE LYS 69 1HE LYS 69 -1.941 -5.835 -5.835 519 1HZ LYS 69 3HZ LYS 69 -3.006 -6.990 -6.990 520 2HZ LYS 69 2HZ LYS 69 -1.660 -6.345 -6.345 521 3HZ LYS 69 1HZ LYS 69 -2.733 -5.320 -5.320 522 H LYS 70 H LYS 70 3.008 -6.771 -6.771 523 HA LYS 70 HA LYS 70 2.853 -4.021 -4.021 524 1HB LYS 70 2HB LYS 70 4.995 -5.907 -5.907 525 2HB LYS 70 1HB LYS 70 4.986 -4.192 -4.192 526 1HG LYS 70 2HG LYS 70 2.709 -6.053 -6.053 527 2HG LYS 70 1HG LYS 70 4.021 -5.685 -5.685 528 1HD LYS 70 2HD LYS 70 3.413 -3.384 -3.384 529 2HD LYS 70 1HD LYS 70 2.285 -3.572 -3.572 530 1HE LYS 70 2HE LYS 70 0.742 -3.738 -3.738 531 2HE LYS 70 1HE LYS 70 1.313 -5.401 -5.401 532 1HZ LYS 70 1HZ LYS 70 2.856 -4.676 -4.676 533 2HZ LYS 70 3HZ LYS 70 2.220 -3.110 -3.110 534 3HZ LYS 70 2HZ LYS 70 1.243 -4.393 -4.393 535 H LYS 71 H LYS 71 5.790 -5.768 -5.768 536 HA LYS 71 HA LYS 71 7.238 -3.663 -3.663 537 1HB LYS 71 2HB LYS 71 7.725 -6.251 -6.251 538 2HB LYS 71 1HB LYS 71 7.233 -6.190 -6.190 539 1HG LYS 71 2HG LYS 71 9.589 -5.991 -5.991 540 2HG LYS 71 1HG LYS 71 8.948 -4.393 -4.393 541 1HD LYS 71 2HD LYS 71 10.089 -3.559 -3.559 542 2HD LYS 71 1HD LYS 71 9.120 -4.545 -4.545 543 1HE LYS 71 2HE LYS 71 10.781 -6.432 -6.432 544 2HE LYS 71 1HE LYS 71 11.816 -5.105 -5.105 545 1HZ LYS 71 3HZ LYS 71 10.642 -5.301 -5.301 546 2HZ LYS 71 2HZ LYS 71 12.193 -5.848 -5.848 547 3HZ LYS 71 1HZ LYS 71 11.817 -4.205 -4.205 548 H LEU 72 H LEU 72 4.413 -5.085 -5.085 549 HA LEU 72 HA LEU 72 4.793 -4.132 -4.132 550 1HB LEU 72 2HB LEU 72 3.138 -5.913 -5.913 551 2HB LEU 72 1HB LEU 72 2.073 -4.536 -4.536 552 HG LEU 72 HG LEU 72 3.139 -5.701 -5.701 553 1HD1 LEU 72 2HD1 LEU 72 0.406 -5.169 -5.169 554 2HD1 LEU 72 1HD1 LEU 72 0.686 -5.586 -5.586 555 3HD1 LEU 72 3HD1 LEU 72 1.129 -6.722 -6.722 556 1HD2 LEU 72 2HD2 LEU 72 3.448 -3.259 -3.259 557 2HD2 LEU 72 1HD2 LEU 72 2.198 -3.811 -3.811 558 3HD2 LEU 72 3HD2 LEU 72 1.746 -3.043 -3.043 559 H VAL 73 H VAL 73 2.289 -3.007 -3.007 560 HA VAL 73 HA VAL 73 2.333 -0.408 -0.408 561 HB VAL 73 HB VAL 73 0.409 0.065 0.065 562 1HG1 VAL 73 3HG1 VAL 73 0.324 -1.880 -1.880 563 2HG1 VAL 73 2HG1 VAL 73 -1.148 -1.406 -1.406 564 3HG1 VAL 73 1HG1 VAL 73 -0.166 -0.186 -0.186 565 1HG2 VAL 73 3HG2 VAL 73 0.961 -1.869 -1.869 566 2HG2 VAL 73 2HG2 VAL 73 -0.719 -1.812 -1.812 567 3HG2 VAL 73 1HG2 VAL 73 0.403 -2.943 -2.943 568 H LYS 74 H LYS 74 2.903 -1.784 -1.784 569 HA LYS 74 HA LYS 74 3.227 0.504 0.504 570 1HB LYS 74 2HB LYS 74 3.470 -2.041 -2.041 571 2HB LYS 74 1HB LYS 74 5.180 -1.735 -1.735 572 1HG LYS 74 2HG LYS 74 4.871 -1.445 -1.445 573 2HG LYS 74 1HG LYS 74 4.943 0.191 0.191 574 1HD LYS 74 2HD LYS 74 2.463 0.240 0.240 575 2HD LYS 74 1HD LYS 74 2.458 -1.345 -1.345 576 1HE LYS 74 2HE LYS 74 4.012 -0.134 -0.134 577 2HE LYS 74 1HE LYS 74 3.238 1.315 1.315 578 1HZ LYS 74 3HZ LYS 74 1.073 0.253 0.253 579 2HZ LYS 74 2HZ LYS 74 1.896 -1.014 -1.014 580 3HZ LYS 74 1HZ LYS 74 2.005 0.556 0.556 581 H ALA 75 H ALA 75 5.535 -1.052 -1.052 582 HA ALA 75 HA ALA 75 7.679 0.744 0.744 583 1HB ALA 75 1HB ALA 75 8.020 -1.547 -1.547 584 2HB ALA 75 3HB ALA 75 7.340 -1.022 -1.022 585 3HB ALA 75 2HB ALA 75 8.841 -0.309 -0.309 586 H PHE 76 H PHE 76 5.049 0.671 0.671 587 HA PHE 76 HA PHE 76 5.941 2.542 2.542 588 1HB PHE 76 2HB PHE 76 3.797 1.072 1.072 589 2HB PHE 76 1HB PHE 76 3.069 2.420 2.420 590 HD1 PHE 76 HD1 PHE 76 4.584 1.363 1.363 591 HD2 PHE 76 HD2 PHE 76 2.484 4.433 4.433 592 HE1 PHE 76 HE1 PHE 76 4.138 2.489 2.489 593 HE2 PHE 76 HE2 PHE 76 2.033 5.565 5.565 594 HZ PHE 76 HZ PHE 76 2.859 4.592 4.592 595 H LYS 77 H LYS 77 4.313 2.996 2.996 596 HA LYS 77 HA LYS 77 4.047 5.818 5.818 597 1HB LYS 77 2HB LYS 77 3.776 3.832 3.832 598 2HB LYS 77 1HB LYS 77 3.905 5.536 5.536 599 1HG LYS 77 2HG LYS 77 1.999 5.896 5.896 600 2HG LYS 77 1HG LYS 77 1.770 4.148 4.148 601 1HD LYS 77 2HD LYS 77 1.802 5.961 5.961 602 2HD LYS 77 1HD LYS 77 0.331 5.470 5.470 603 1HE LYS 77 2HE LYS 77 0.395 3.373 3.373 604 2HE LYS 77 1HE LYS 77 2.155 3.288 3.288 605 1HZ LYS 77 3HZ LYS 77 0.748 4.942 4.942 606 2HZ LYS 77 2HZ LYS 77 1.099 3.310 3.310 607 3HZ LYS 77 1HZ LYS 77 2.355 4.414 4.414 608 H LYS 78 H LYS 78 6.716 3.815 3.815 609 HA LYS 78 HA LYS 78 8.187 5.830 5.830 610 1HB LYS 78 2HB LYS 78 8.296 3.277 3.277 611 2HB LYS 78 1HB LYS 78 9.323 3.248 3.248 612 1HG LYS 78 2HG LYS 78 11.013 4.464 4.464 613 2HG LYS 78 1HG LYS 78 9.935 5.056 5.056 614 1HD LYS 78 2HD LYS 78 10.231 3.228 3.228 615 2HD LYS 78 1HD LYS 78 10.155 2.138 2.138 616 1HE LYS 78 2HE LYS 78 12.490 2.927 2.927 617 2HE LYS 78 1HE LYS 78 12.523 3.696 3.696 618 1HZ LYS 78 3HZ LYS 78 11.758 0.883 0.883 619 2HZ LYS 78 2HZ LYS 78 13.381 1.241 1.241 620 3HZ LYS 78 1HZ LYS 78 12.674 1.720 1.720 621 H LYS 79 H LYS 79 7.710 4.803 4.803 622 HA LYS 79 HA LYS 79 10.181 6.071 6.071 623 1HB LYS 79 2HB LYS 79 8.882 3.784 3.784 624 2HB LYS 79 1HB LYS 79 8.414 4.953 4.953 625 1HG LYS 79 2HG LYS 79 10.946 5.493 5.493 626 2HG LYS 79 1HG LYS 79 11.129 3.924 3.924 627 1HD LYS 79 2HD LYS 79 10.872 2.896 2.896 628 2HD LYS 79 1HD LYS 79 9.288 3.644 3.644 629 1HE LYS 79 2HE LYS 79 11.965 4.649 4.649 630 2HE LYS 79 1HE LYS 79 10.541 4.274 4.274 631 1HZ LYS 79 1HZ LYS 79 9.610 6.173 6.173 632 2HZ LYS 79 3HZ LYS 79 11.207 6.687 6.687 633 3HZ LYS 79 2HZ LYS 79 10.196 6.467 6.467 634 H PHE 80 H PHE 80 6.663 6.242 6.242 635 HA PHE 80 HA PHE 80 7.068 8.934 8.934 636 1HB PHE 80 2HB PHE 80 4.579 7.425 7.425 637 2HB PHE 80 1HB PHE 80 5.465 8.586 8.586 638 HD1 PHE 80 HD1 PHE 80 5.367 5.089 5.089 639 HD2 PHE 80 HD2 PHE 80 7.139 7.886 7.886 640 HE1 PHE 80 HE1 PHE 80 6.384 3.239 3.239 641 HE2 PHE 80 HE2 PHE 80 8.160 6.038 6.038 642 HZ PHE 80 HZ PHE 80 7.784 3.710 3.710 643 H ALA 81 H ALA 81 5.748 7.213 7.213 644 HA ALA 81 HA ALA 81 4.458 7.832 7.832 645 1HB ALA 81 3HB ALA 81 5.334 10.416 10.416 646 2HB ALA 81 2HB ALA 81 3.951 10.467 10.467 647 3HB ALA 81 1HB ALA 81 5.482 9.784 9.784 648 H CYS 82 H CYS 82 3.142 6.754 6.754 649 HA CYS 82 HA CYS 82 0.663 8.338 8.338 650 1HB CYS 82 2HB CYS 82 2.114 6.667 6.667 651 2HB CYS 82 1HB CYS 82 0.366 6.460 6.460 652 HG CYS 82 HG CYS 82 0.060 8.732 8.732 653 H ASN 83 H ASN 83 -1.237 7.450 7.450 654 HA ASN 83 HA ASN 83 -1.206 5.317 5.317 655 1HB ASN 83 2HB ASN 83 -3.226 7.095 7.095 656 2HB ASN 83 1HB ASN 83 -3.843 5.516 5.516 657 1HD2 ASN 83 2HD2 ASN 83 -2.745 6.084 6.084 658 2HD2 ASN 83 1HD2 ASN 83 -2.432 4.930 4.930 659 H GLY 84 H GLY 84 -0.641 3.325 3.325 660 1HA GLY 84 2HA GLY 84 -1.809 2.250 2.250 661 2HA GLY 84 1HA GLY 84 -0.401 1.601 1.601 662 H THR 85 H THR 85 -3.659 1.191 1.191 663 HA THR 85 HA THR 85 -3.992 -0.455 -0.455 664 HB THR 85 HB THR 85 -6.364 -0.182 -0.182 665 HG1 THR 85 HG1 THR 85 -5.742 0.988 0.988 666 1HG2 THR 85 1HG2 THR 85 -4.664 2.148 2.148 667 2HG2 THR 85 3HG2 THR 85 -6.258 2.526 2.526 668 3HG2 THR 85 2HG2 THR 85 -6.111 1.754 1.754 669 H VAL 86 H VAL 86 -4.887 -2.539 -2.539 670 HA VAL 86 HA VAL 86 -4.478 -3.764 -3.764 671 HB VAL 86 HB VAL 86 -3.119 -4.688 -4.688 672 1HG1 VAL 86 1HG1 VAL 86 -5.387 -4.337 -4.337 673 2HG1 VAL 86 3HG1 VAL 86 -5.252 -6.088 -6.088 674 3HG1 VAL 86 2HG1 VAL 86 -3.904 -5.156 -5.156 675 1HG2 VAL 86 3HG2 VAL 86 -4.175 -6.076 -6.076 676 2HG2 VAL 86 2HG2 VAL 86 -3.393 -6.914 -6.914 677 3HG2 VAL 86 1HG2 VAL 86 -5.151 -6.790 -6.790 678 H ILE 87 H ILE 87 -6.718 -2.698 -2.698 679 HA ILE 87 HA ILE 87 -9.010 -3.850 -3.850 680 HB ILE 87 HB ILE 87 -10.292 -2.818 -2.818 681 1HG1 ILE 87 2HG1 ILE 87 -7.612 -2.001 -2.001 682 2HG1 ILE 87 1HG1 ILE 87 -8.627 -3.277 -3.277 683 1HG2 ILE 87 2HG2 ILE 87 -9.477 -1.507 -1.507 684 2HG2 ILE 87 1HG2 ILE 87 -8.157 -0.924 -0.924 685 3HG2 ILE 87 3HG2 ILE 87 -9.827 -0.546 -0.546 686 1HD1 ILE 87 2HD1 ILE 87 -10.399 -1.615 -1.615 687 2HD1 ILE 87 1HD1 ILE 87 -9.309 -0.354 -0.354 688 3HD1 ILE 87 3HD1 ILE 87 -8.913 -1.264 -1.264 689 H GLU 88 H GLU 88 -10.616 -5.185 -5.185 690 HA GLU 88 HA GLU 88 -9.442 -7.141 -7.141 691 1HB GLU 88 2HB GLU 88 -10.166 -7.816 -7.816 692 2HB GLU 88 1HB GLU 88 -11.803 -7.712 -7.712 693 1HG GLU 88 2HG GLU 88 -11.176 -9.335 -9.335 694 2HG GLU 88 1HG GLU 88 -9.593 -9.490 -9.490 695 H HIS 89 H HIS 89 -10.126 -5.557 -5.557 696 HA HIS 89 HA HIS 89 -12.741 -4.796 -4.796 697 1HB HIS 89 2HB HIS 89 -10.424 -4.250 -4.250 698 2HB HIS 89 1HB HIS 89 -10.999 -5.464 -5.464 699 HD1 HIS 89 HD1 HIS 89 -12.644 -4.708 -4.708 700 HD2 HIS 89 HD2 HIS 89 -12.230 -1.979 -1.979 701 HE1 HIS 89 HE1 HIS 89 -13.970 -2.693 -2.693 702 HE2 HIS 89 HE2 HIS 89 -13.792 -1.094 -1.094 703 HA PRO 90 HA PRO 90 -14.649 -8.586 -8.586 704 1HB PRO 90 2HB PRO 90 -16.959 -7.620 -7.620 705 2HB PRO 90 1HB PRO 90 -16.563 -7.540 -7.540 706 1HG PRO 90 2HG PRO 90 -16.401 -5.401 -5.401 707 2HG PRO 90 1HG PRO 90 -16.964 -5.292 -5.292 708 1HD PRO 90 2HD PRO 90 -14.452 -4.542 -4.542 709 2HD PRO 90 1HD PRO 90 -14.851 -4.991 -4.991 710 H GLU 91 H GLU 91 -14.106 -5.953 -5.953 711 HA GLU 91 HA GLU 91 -14.806 -7.518 -7.518 712 1HB GLU 91 2HB GLU 91 -13.345 -4.882 -4.882 713 2HB GLU 91 1HB GLU 91 -14.262 -5.581 -5.581 714 1HG GLU 91 2HG GLU 91 -16.257 -5.447 -5.447 715 2HG GLU 91 1HG GLU 91 -15.243 -4.274 -4.274 716 H TYR 92 H TYR 92 -12.005 -6.955 -6.955 717 HA TYR 92 HA TYR 92 -10.340 -8.260 -8.260 718 1HB TYR 92 2HB TYR 92 -9.201 -6.569 -6.569 719 2HB TYR 92 1HB TYR 92 -8.479 -7.000 -7.000 720 HD1 TYR 92 HD2 TYR 92 -10.854 -6.315 -6.315 721 HD2 TYR 92 HD1 TYR 92 -8.997 -4.212 -4.212 722 HE1 TYR 92 HE2 TYR 92 -11.637 -4.191 -4.191 723 HE2 TYR 92 HE1 TYR 92 -9.777 -2.080 -2.080 724 HH TYR 92 HH TYR 92 -12.127 -1.876 -1.876 725 H GLY 93 H GLY 93 -10.729 -7.842 -7.842 726 1HA GLY 93 2HA GLY 93 -10.867 -9.631 -9.631 727 2HA GLY 93 1HA GLY 93 -10.145 -10.688 -10.688 728 H GLU 94 H GLU 94 -9.577 -8.527 -8.527 729 HA GLU 94 HA GLU 94 -7.756 -8.151 -8.151 730 1HB GLU 94 2HB GLU 94 -7.521 -10.755 -10.755 731 2HB GLU 94 1HB GLU 94 -6.022 -10.118 -10.118 732 1HG GLU 94 2HG GLU 94 -5.181 -10.446 -10.446 733 2HG GLU 94 1HG GLU 94 -6.080 -9.003 -9.003 734 H VAL 95 H VAL 95 -7.417 -6.097 -6.097 735 HA VAL 95 HA VAL 95 -4.957 -5.905 -5.905 736 HB VAL 95 HB VAL 95 -5.950 -4.054 -4.054 737 1HG1 VAL 95 3HG1 VAL 95 -6.805 -6.899 -6.899 738 2HG1 VAL 95 2HG1 VAL 95 -7.462 -5.714 -5.714 739 3HG1 VAL 95 1HG1 VAL 95 -5.720 -5.960 -5.960 740 1HG2 VAL 95 3HG2 VAL 95 -8.024 -4.176 -4.176 741 2HG2 VAL 95 2HG2 VAL 95 -8.071 -3.366 -3.366 742 3HG2 VAL 95 1HG2 VAL 95 -8.689 -5.010 -5.010 743 H ILE 96 H ILE 96 -3.660 -4.228 -4.228 744 HA ILE 96 HA ILE 96 -4.267 -2.880 -2.880 745 HB ILE 96 HB ILE 96 -1.970 -2.704 -2.704 746 1HG1 ILE 96 2HG1 ILE 96 -2.322 -4.616 -4.616 747 2HG1 ILE 96 1HG1 ILE 96 -0.743 -3.837 -3.837 748 1HG2 ILE 96 1HG2 ILE 96 -2.393 -1.008 -1.008 749 2HG2 ILE 96 3HG2 ILE 96 -0.842 -1.199 -1.199 750 3HG2 ILE 96 2HG2 ILE 96 -2.201 -0.453 -0.453 751 1HD1 ILE 96 2HD1 ILE 96 -2.411 -2.490 -2.490 752 2HD1 ILE 96 1HD1 ILE 96 -2.495 -4.226 -4.226 753 3HD1 ILE 96 3HD1 ILE 96 -0.932 -3.409 -3.409 754 H GLN 97 H GLN 97 -4.548 -0.632 -0.632 755 HA GLN 97 HA GLN 97 -5.333 0.886 0.886 756 1HB GLN 97 2HB GLN 97 -7.134 -0.102 -0.102 757 2HB GLN 97 1HB GLN 97 -6.841 1.508 1.508 758 1HG GLN 97 2HG GLN 97 -7.194 2.109 2.109 759 2HG GLN 97 1HG GLN 97 -8.198 0.667 0.667 760 1HE2 GLN 97 2HE2 GLN 97 -10.058 2.387 2.387 761 2HE2 GLN 97 1HE2 GLN 97 -8.959 1.056 1.056 762 H LEU 98 H LEU 98 -3.336 1.977 1.977 763 HA LEU 98 HA LEU 98 -2.420 3.356 3.356 764 1HB LEU 98 2HB LEU 98 -1.728 3.873 3.873 765 2HB LEU 98 1HB LEU 98 -0.827 4.422 4.422 766 HG LEU 98 HG LEU 98 -1.238 1.491 1.491 767 1HD1 LEU 98 2HD1 LEU 98 -0.338 2.868 2.868 768 2HD1 LEU 98 1HD1 LEU 98 1.172 2.602 2.602 769 3HD1 LEU 98 3HD1 LEU 98 0.169 1.229 1.229 770 1HD2 LEU 98 3HD2 LEU 98 0.244 3.201 3.201 771 2HD2 LEU 98 2HD2 LEU 98 0.199 1.438 1.438 772 3HD2 LEU 98 1HD2 LEU 98 1.397 2.297 2.297 773 H GLN 99 H GLN 99 -2.266 5.684 5.684 774 HA GLN 99 HA GLN 99 -4.728 6.979 6.979 775 1HB GLN 99 2HB GLN 99 -2.982 7.196 7.196 776 2HB GLN 99 1HB GLN 99 -3.449 8.760 8.760 777 1HG GLN 99 2HG GLN 99 -5.763 7.130 7.130 778 2HG GLN 99 1HG GLN 99 -4.948 6.992 6.992 779 1HE2 GLN 99 2HE2 GLN 99 -6.840 10.398 10.398 780 2HE2 GLN 99 1HE2 GLN 99 -6.670 9.057 9.057 781 H GLY 100 H GLY 100 -4.772 8.925 8.925 782 1HA GLY 100 2HA GLY 100 -3.977 10.660 10.660 783 2HA GLY 100 1HA GLY 100 -2.363 10.326 10.326 784 H ASP 101 H ASP 101 -2.370 10.969 10.969 785 HA ASP 101 HA ASP 101 -2.776 8.686 8.686 786 1HB ASP 101 2HB ASP 101 -1.851 10.116 10.116 787 2HB ASP 101 1HB ASP 101 -3.140 10.926 10.926 788 H GLN 102 H GLN 102 -1.465 7.062 7.062 789 HA GLN 102 HA GLN 102 1.426 7.550 7.550 790 1HB GLN 102 2HB GLN 102 -0.371 5.716 5.716 791 2HB GLN 102 1HB GLN 102 1.166 5.029 5.029 792 1HG GLN 102 2HG GLN 102 0.990 6.093 6.093 793 2HG GLN 102 1HG GLN 102 2.392 6.476 6.476 794 1HE2 GLN 102 2HE2 GLN 102 -0.490 9.374 9.374 795 2HE2 GLN 102 1HE2 GLN 102 -0.917 7.722 7.722 796 H ARG 103 H ARG 103 -0.700 6.824 6.824 797 HA ARG 103 HA ARG 103 -0.188 4.370 4.370 798 1HB ARG 103 2HB ARG 103 -0.641 5.422 5.422 799 2HB ARG 103 1HB ARG 103 -1.824 5.834 5.834 800 1HG ARG 103 2HG ARG 103 -1.334 8.013 8.013 801 2HG ARG 103 1HG ARG 103 0.402 7.720 7.720 802 1HD ARG 103 2HD ARG 103 0.190 8.446 8.446 803 2HD ARG 103 1HD ARG 103 -0.455 6.836 6.836 804 HE ARG 103 HE ARG 103 -2.643 8.231 8.231 805 1HH1 ARG 103 2HH1 ARG 103 -0.148 8.816 8.816 806 2HH1 ARG 103 1HH1 ARG 103 -1.189 9.703 9.703 807 1HH2 ARG 103 1HH2 ARG 103 -4.015 9.396 9.396 808 2HH2 ARG 103 2HH2 ARG 103 -3.385 10.032 10.032 809 H LYS 104 H LYS 104 1.942 7.109 7.109 810 HA LYS 104 HA LYS 104 3.865 5.812 5.812 811 1HB LYS 104 2HB LYS 104 3.189 8.539 8.539 812 2HB LYS 104 1HB LYS 104 4.891 8.272 8.272 813 1HG LYS 104 2HG LYS 104 4.956 8.902 8.902 814 2HG LYS 104 1HG LYS 104 4.910 7.142 7.142 815 1HD LYS 104 2HD LYS 104 2.331 8.623 8.623 816 2HD LYS 104 1HD LYS 104 3.301 8.686 8.686 817 1HE LYS 104 2HE LYS 104 3.201 5.991 5.991 818 2HE LYS 104 1HE LYS 104 1.562 6.635 6.635 819 1HZ LYS 104 1HZ LYS 104 3.323 7.132 7.132 820 2HZ LYS 104 3HZ LYS 104 2.747 5.554 5.554 821 3HZ LYS 104 2HZ LYS 104 1.658 6.837 6.837 822 H ASN 105 H ASN 105 3.281 6.562 6.562 823 HA ASN 105 HA ASN 105 6.025 6.115 6.115 824 1HB ASN 105 2HB ASN 105 3.458 6.684 6.684 825 2HB ASN 105 1HB ASN 105 4.912 6.201 6.201 826 1HD2 ASN 105 2HD2 ASN 105 4.431 9.964 9.964 827 2HD2 ASN 105 1HD2 ASN 105 3.225 8.740 8.740 828 H ILE 106 H ILE 106 2.951 4.351 4.351 829 HA ILE 106 HA ILE 106 3.846 2.205 2.205 830 HB ILE 106 HB ILE 106 1.459 2.670 2.670 831 1HG1 ILE 106 2HG1 ILE 106 0.785 0.338 0.338 832 2HG1 ILE 106 1HG1 ILE 106 2.345 -0.130 -0.130 833 1HG2 ILE 106 2HG2 ILE 106 1.801 3.051 3.051 834 2HG2 ILE 106 1HG2 ILE 106 1.961 1.305 1.305 835 3HG2 ILE 106 3HG2 ILE 106 0.448 1.993 1.993 836 1HD1 ILE 106 2HD1 ILE 106 2.510 1.334 1.334 837 2HD1 ILE 106 1HD1 ILE 106 1.678 -0.218 -0.218 838 3HD1 ILE 106 3HD1 ILE 106 3.327 -0.140 -0.140 839 H CYS 107 H CYS 107 3.651 2.491 2.491 840 HA CYS 107 HA CYS 107 4.770 -0.016 -0.016 841 1HB CYS 107 2HB CYS 107 4.435 2.561 2.561 842 2HB CYS 107 1HB CYS 107 5.648 1.456 1.456 843 HG CYS 107 HG CYS 107 3.454 0.874 0.874 844 H GLN 108 H GLN 108 6.122 3.045 3.045 845 HA GLN 108 HA GLN 108 8.859 2.403 2.403 846 1HB GLN 108 2HB GLN 108 8.430 4.693 4.693 847 2HB GLN 108 1HB GLN 108 7.368 4.594 4.594 848 1HG GLN 108 2HG GLN 108 9.127 5.603 5.603 849 2HG GLN 108 1HG GLN 108 9.635 3.931 3.931 850 1HE2 GLN 108 2HE2 GLN 108 12.362 4.103 4.103 851 2HE2 GLN 108 1HE2 GLN 108 11.274 3.081 3.081 852 H PHE 109 H PHE 109 6.633 2.074 2.074 853 HA PHE 109 HA PHE 109 8.594 1.430 1.430 854 1HB PHE 109 2HB PHE 109 6.392 2.343 2.343 855 2HB PHE 109 1HB PHE 109 5.615 0.904 0.904 856 HD1 PHE 109 HD1 PHE 109 8.153 1.928 1.928 857 HD2 PHE 109 HD2 PHE 109 5.125 -0.849 -0.849 858 HE1 PHE 109 HE1 PHE 109 8.354 0.842 0.842 859 HE2 PHE 109 HE2 PHE 109 5.320 -1.941 -1.941 860 HZ PHE 109 HZ PHE 109 6.937 -1.097 -1.097 861 H LEU 110 H LEU 110 6.299 -0.451 -0.451 862 HA LEU 110 HA LEU 110 6.888 -2.983 -2.983 863 1HB LEU 110 2HB LEU 110 5.776 -1.932 -1.932 864 2HB LEU 110 1HB LEU 110 6.264 -3.615 -3.615 865 HG LEU 110 HG LEU 110 4.637 -4.166 -4.166 866 1HD1 LEU 110 1HD1 LEU 110 4.462 -1.215 -1.215 867 2HD1 LEU 110 3HD1 LEU 110 3.213 -2.339 -2.339 868 3HD1 LEU 110 2HD1 LEU 110 4.864 -2.509 -2.509 869 1HD2 LEU 110 1HD2 LEU 110 3.709 -3.780 -3.780 870 2HD2 LEU 110 3HD2 LEU 110 2.540 -3.377 -3.377 871 3HD2 LEU 110 2HD2 LEU 110 3.406 -2.093 -2.093 872 H VAL 111 H VAL 111 8.618 -0.974 -0.974 873 HA VAL 111 HA VAL 111 10.410 -3.146 -3.146 874 HB VAL 111 HB VAL 111 10.438 -0.237 -0.237 875 1HG1 VAL 111 2HG1 VAL 111 12.169 -2.566 -2.566 876 2HG1 VAL 111 1HG1 VAL 111 11.821 -1.377 -1.377 877 3HG1 VAL 111 3HG1 VAL 111 12.600 -0.873 -0.873 878 1HG2 VAL 111 2HG2 VAL 111 8.531 -1.976 -1.976 879 2HG2 VAL 111 1HG2 VAL 111 9.136 -0.746 -0.746 880 3HG2 VAL 111 3HG2 VAL 111 9.736 -2.401 -2.401 881 H GLU 112 H GLU 112 10.311 -0.344 -0.344 882 HA GLU 112 HA GLU 112 13.117 -0.176 -0.176 883 1HB GLU 112 2HB GLU 112 10.683 0.934 0.934 884 2HB GLU 112 1HB GLU 112 12.272 1.100 1.100 885 1HG GLU 112 2HG GLU 112 12.270 1.882 1.882 886 2HG GLU 112 1HG GLU 112 11.113 2.804 2.804 887 H ILE 113 H ILE 113 10.406 -1.618 -1.618 888 HA ILE 113 HA ILE 113 12.173 -2.742 -2.742 889 HB ILE 113 HB ILE 113 10.238 -3.499 -3.499 890 1HG1 ILE 113 2HG1 ILE 113 8.702 -2.983 -2.983 891 2HG1 ILE 113 1HG1 ILE 113 9.078 -4.559 -4.559 892 1HG2 ILE 113 2HG2 ILE 113 10.657 -0.949 -0.949 893 2HG2 ILE 113 1HG2 ILE 113 9.150 -1.006 -1.006 894 3HG2 ILE 113 3HG2 ILE 113 9.175 -1.506 -1.506 895 1HD1 ILE 113 1HD1 ILE 113 7.700 -2.919 -2.919 896 2HD1 ILE 113 3HD1 ILE 113 6.790 -3.042 -3.042 897 3HD1 ILE 113 2HD1 ILE 113 7.272 -4.504 -4.504 898 H GLY 114 H GLY 114 10.856 -3.697 -3.697 899 1HA GLY 114 2HA GLY 114 11.467 -5.610 -5.610 900 2HA GLY 114 1HA GLY 114 12.093 -6.318 -6.318 901 H LEU 115 H LEU 115 8.919 -4.892 -4.892 902 HA LEU 115 HA LEU 115 7.677 -7.297 -7.297 903 1HB LEU 115 2HB LEU 115 7.081 -4.661 -4.661 904 2HB LEU 115 1HB LEU 115 5.985 -5.130 -5.130 905 HG LEU 115 HG LEU 115 4.874 -6.709 -6.709 906 1HD1 LEU 115 2HD1 LEU 115 7.280 -6.382 -6.382 907 2HD1 LEU 115 1HD1 LEU 115 5.745 -6.623 -6.623 908 3HD1 LEU 115 3HD1 LEU 115 6.313 -7.817 -7.817 909 1HD2 LEU 115 3HD2 LEU 115 4.558 -4.134 -4.134 910 2HD2 LEU 115 2HD2 LEU 115 3.779 -5.255 -5.255 911 3HD2 LEU 115 1HD2 LEU 115 5.260 -4.425 -4.425 912 H ALA 116 H ALA 116 6.833 -5.301 -5.301 913 HA ALA 116 HA ALA 116 5.863 -7.695 -7.695 914 1HB ALA 116 3HB ALA 116 4.513 -5.576 -5.576 915 2HB ALA 116 2HB ALA 116 5.699 -4.854 -4.854 916 3HB ALA 116 1HB ALA 116 4.748 -6.241 -6.241 917 H LYS 117 H LYS 117 6.201 -7.084 -7.084 918 HA LYS 117 HA LYS 117 9.132 -7.064 -7.064 919 1HB LYS 117 2HB LYS 117 7.004 -8.756 -8.756 920 2HB LYS 117 1HB LYS 117 8.386 -8.337 -8.337 921 1HG LYS 117 2HG LYS 117 9.169 -9.258 -9.258 922 2HG LYS 117 1HG LYS 117 8.219 -10.452 -10.452 923 1HD LYS 117 2HD LYS 117 10.330 -10.968 -10.968 924 2HD LYS 117 1HD LYS 117 9.839 -9.802 -9.802 925 1HE LYS 117 2HE LYS 117 11.316 -8.242 -8.242 926 2HE LYS 117 1HE LYS 117 11.118 -8.667 -8.667 927 1HZ LYS 117 2HZ LYS 117 12.524 -10.509 -10.509 928 2HZ LYS 117 1HZ LYS 117 13.340 -9.167 -9.167 929 3HZ LYS 117 3HZ LYS 117 12.686 -10.327 -10.327 930 H ASP 118 H ASP 118 10.022 -5.893 -5.893 931 HA ASP 118 HA ASP 118 8.812 -3.517 -3.517 932 1HB ASP 118 2HB ASP 118 10.571 -3.280 -3.280 933 2HB ASP 118 1HB ASP 118 11.229 -3.901 -3.901 934 H ASP 119 H ASP 119 8.595 -6.653 -6.653 935 HA ASP 119 HA ASP 119 7.359 -5.670 -5.670 936 1HB ASP 119 2HB ASP 119 8.007 -8.365 -8.365 937 2HB ASP 119 1HB ASP 119 6.805 -8.252 -8.252 938 H GLN 120 H GLN 120 6.356 -6.794 -6.794 939 HA GLN 120 HA GLN 120 3.602 -7.180 -7.180 940 1HB GLN 120 2HB GLN 120 4.983 -7.066 -7.066 941 2HB GLN 120 1HB GLN 120 3.268 -7.389 -7.389 942 1HG GLN 120 2HG GLN 120 3.833 -9.384 -9.384 943 2HG GLN 120 1HG GLN 120 5.542 -9.075 -9.075 944 1HE2 GLN 120 2HE2 GLN 120 3.222 -10.006 -10.006 945 2HE2 GLN 120 1HE2 GLN 120 2.626 -8.964 -8.964 946 H LEU 121 H LEU 121 5.514 -4.493 -4.493 947 HA LEU 121 HA LEU 121 3.973 -2.802 -2.802 948 1HB LEU 121 2HB LEU 121 5.721 -2.222 -2.222 949 2HB LEU 121 1HB LEU 121 4.975 -0.953 -0.953 950 HG LEU 121 HG LEU 121 6.794 -3.026 -3.026 951 1HD1 LEU 121 3HD1 LEU 121 7.440 -0.422 -0.422 952 2HD1 LEU 121 2HD1 LEU 121 8.443 -1.047 -1.047 953 3HD1 LEU 121 1HD1 LEU 121 8.236 -1.987 -1.987 954 1HD2 LEU 121 2HD2 LEU 121 5.101 -1.494 -1.494 955 2HD2 LEU 121 1HD2 LEU 121 6.731 -1.779 -1.779 956 3HD2 LEU 121 3HD2 LEU 121 6.358 -0.282 -0.282 957 H LYS 122 H LYS 122 1.780 -3.108 -3.108 958 HA LYS 122 HA LYS 122 0.747 -2.154 -2.154 959 1HB LYS 122 2HB LYS 122 -0.133 -4.251 -4.251 960 2HB LYS 122 1HB LYS 122 -1.413 -3.291 -3.291 961 1HG LYS 122 2HG LYS 122 0.724 -4.712 -4.712 962 2HG LYS 122 1HG LYS 122 -0.875 -5.380 -5.380 963 1HD LYS 122 2HD LYS 122 -1.888 -4.048 -4.048 964 2HD LYS 122 1HD LYS 122 -0.847 -2.670 -2.670 965 1HE LYS 122 2HE LYS 122 0.457 -3.112 -3.112 966 2HE LYS 122 1HE LYS 122 0.665 -4.787 -4.787 967 1HZ LYS 122 3HZ LYS 122 -1.772 -4.937 -4.937 968 2HZ LYS 122 2HZ LYS 122 -1.212 -3.650 -3.650 969 3HZ LYS 122 1HZ LYS 122 -0.400 -5.134 -5.134 970 H VAL 123 H VAL 123 1.012 0.047 0.047 971 HA VAL 123 HA VAL 123 -0.594 0.948 0.948 972 HB VAL 123 HB VAL 123 1.668 1.875 1.875 973 1HG1 VAL 123 2HG1 VAL 123 1.196 1.902 1.902 974 2HG1 VAL 123 1HG1 VAL 123 0.793 3.579 3.579 975 3HG1 VAL 123 3HG1 VAL 123 2.392 2.948 2.948 976 1HG2 VAL 123 3HG2 VAL 123 -0.583 3.863 3.863 977 2HG2 VAL 123 2HG2 VAL 123 0.040 3.175 3.175 978 3HG2 VAL 123 1HG2 VAL 123 1.051 4.252 4.252 979 H HIS 124 H HIS 124 -2.604 1.637 1.637 980 HA HIS 124 HA HIS 124 -3.461 2.850 2.850 981 1HB HIS 124 2HB HIS 124 -5.207 0.984 0.984 982 2HB HIS 124 1HB HIS 124 -5.535 1.654 1.654 983 HD1 HIS 124 HD1 HIS 124 -4.797 0.301 0.301 984 HD2 HIS 124 HD2 HIS 124 -3.078 -0.994 -0.994 985 HE1 HIS 124 HE1 HIS 124 -3.591 -1.828 -1.828 986 HE2 HIS 124 HE2 HIS 124 -2.691 -2.668 -2.668 987 H GLY 125 H GLY 125 -2.587 4.155 4.155 988 1HA GLY 125 2HA GLY 125 -4.525 4.884 4.884 989 2HA GLY 125 1HA GLY 125 -3.204 5.924 5.924 990 H PHE 126 HN PHE 126 -6.564 5.132 5.132 991 HA PHE 126 HA PHE 126 -8.311 6.283 6.283 992 1HB PHE 126 2HB PHE 126 -6.599 8.185 8.185 993 2HB PHE 126 1HB PHE 126 -7.072 8.857 8.857 994 HD1 PHE 126 HD1 PHE 126 -9.823 7.798 7.798 995 HD2 PHE 126 HD2 PHE 126 -7.747 9.457 9.457 996 HE1 PHE 126 HE1 PHE 126 -11.967 8.510 8.510 997 HE2 PHE 126 HE2 PHE 126 -9.892 10.172 10.172 998 HZ PHE 126 HZ PHE 126 -12.003 9.699 9.699 Start of MODEL 23 1 1H MET 1 2H MET 1 43.816 0.353 0.353 2 2H MET 1 1H MET 1 43.757 0.653 0.653 3 3H MET 1 3H MET 1 42.827 1.613 1.613 4 HA MET 1 HA MET 1 41.414 -0.125 -0.125 5 1HB MET 1 2HB MET 1 42.060 0.430 0.430 6 2HB MET 1 1HB MET 1 40.985 -0.927 -0.927 7 1HG MET 1 2HG MET 1 40.511 1.809 1.809 8 2HG MET 1 1HG MET 1 39.892 1.302 1.302 9 1HE MET 1 2HE MET 1 39.997 1.169 1.169 10 2HE MET 1 1HE MET 1 38.270 1.500 1.500 11 3HE MET 1 3HE MET 1 38.899 -0.092 -0.092 12 H ARG 2 H ARG 2 42.450 -1.767 -1.767 13 HA ARG 2 HA ARG 2 43.508 -4.009 -4.009 14 1HB ARG 2 2HB ARG 2 44.791 -2.782 -2.782 15 2HB ARG 2 1HB ARG 2 43.855 -3.912 -3.912 16 1HG ARG 2 2HG ARG 2 45.262 -5.058 -5.058 17 2HG ARG 2 1HG ARG 2 46.278 -4.461 -4.461 18 1HD ARG 2 2HD ARG 2 43.941 -6.131 -6.131 19 2HD ARG 2 1HD ARG 2 45.296 -6.941 -6.941 20 HE ARG 2 HE ARG 2 46.458 -5.471 -5.471 21 1HH1 ARG 2 2HH1 ARG 2 43.911 -7.855 -7.855 22 2HH1 ARG 2 1HH1 ARG 2 44.237 -8.438 -8.438 23 1HH2 ARG 2 1HH2 ARG 2 46.888 -6.237 -6.237 24 2HH2 ARG 2 2HH2 ARG 2 45.927 -7.519 -7.519 25 H GLY 3 H GLY 3 41.240 -3.114 -3.114 26 1HA GLY 3 2HA GLY 3 40.009 -5.787 -5.787 27 2HA GLY 3 1HA GLY 3 40.077 -4.931 -4.931 28 H SER 4 H SER 4 38.055 -5.763 -5.763 29 HA SER 4 HA SER 4 36.030 -3.945 -3.945 30 1HB SER 4 2HB SER 4 37.063 -2.349 -2.349 31 2HB SER 4 1HB SER 4 37.278 -3.543 -3.543 32 HG SER 4 HG SER 4 35.255 -3.296 -3.296 33 H HIS 5 H HIS 5 33.957 -4.456 -4.456 34 HA HIS 5 HA HIS 5 33.778 -6.745 -6.745 35 1HB HIS 5 2HB HIS 5 32.380 -8.048 -8.048 36 2HB HIS 5 1HB HIS 5 33.960 -7.756 -7.756 37 HD1 HIS 5 HD1 HIS 5 33.704 -5.167 -5.167 38 HD2 HIS 5 HD2 HIS 5 30.569 -7.890 -7.890 39 HE1 HIS 5 HE1 HIS 5 32.233 -4.591 -4.591 40 HE2 HIS 5 HE2 HIS 5 30.392 -6.310 -6.310 41 H HIS 6 H HIS 6 31.925 -6.780 -6.780 42 HA HIS 6 HA HIS 6 29.663 -5.130 -5.130 43 1HB HIS 6 2HB HIS 6 31.159 -3.585 -3.585 44 2HB HIS 6 1HB HIS 6 31.114 -4.669 -4.669 45 HD1 HIS 6 HD1 HIS 6 28.315 -3.237 -3.237 46 HD2 HIS 6 HD2 HIS 6 29.504 -3.491 -3.491 47 HE1 HIS 6 HE1 HIS 6 26.480 -2.136 -2.136 48 HE2 HIS 6 HE2 HIS 6 27.188 -2.367 -2.367 49 H HIS 7 H HIS 7 27.763 -5.522 -5.522 50 HA HIS 7 HA HIS 7 27.691 -7.451 -7.451 51 1HB HIS 7 2HB HIS 7 28.205 -8.918 -8.918 52 2HB HIS 7 1HB HIS 7 26.653 -8.442 -8.442 53 HD1 HIS 7 HD1 HIS 7 27.995 -10.108 -10.108 54 HD2 HIS 7 HD2 HIS 7 24.598 -10.043 -10.043 55 HE1 HIS 7 HE1 HIS 7 26.480 -11.884 -11.884 56 HE2 HIS 7 HE2 HIS 7 24.398 -11.771 -11.771 57 H HIS 8 H HIS 8 26.641 -4.918 -4.918 58 HA HIS 8 HA HIS 8 23.771 -5.491 -5.491 59 1HB HIS 8 2HB HIS 8 24.654 -4.327 -4.327 60 2HB HIS 8 1HB HIS 8 24.588 -2.890 -2.890 61 HD1 HIS 8 HD1 HIS 8 21.939 -4.274 -4.274 62 HD2 HIS 8 HD2 HIS 8 22.487 -3.184 -3.184 63 HE1 HIS 8 HE1 HIS 8 19.627 -3.946 -3.946 64 HE2 HIS 8 HE2 HIS 8 19.980 -3.359 -3.359 65 H HIS 9 H HIS 9 24.328 -5.459 -5.459 66 HA HIS 9 HA HIS 9 24.011 -2.789 -2.789 67 1HB HIS 9 2HB HIS 9 26.510 -3.280 -3.280 68 2HB HIS 9 1HB HIS 9 26.253 -4.511 -4.511 69 HD1 HIS 9 HD1 HIS 9 24.426 -1.256 -1.256 70 HD2 HIS 9 HD2 HIS 9 27.752 -3.087 -3.087 71 HE1 HIS 9 HE1 HIS 9 25.080 0.198 0.198 72 HE2 HIS 9 HE2 HIS 9 27.142 -0.887 -0.887 73 H HIS 10 H HIS 10 22.810 -2.775 -2.775 74 HA HIS 10 HA HIS 10 21.404 -5.095 -5.095 75 1HB HIS 10 2HB HIS 10 21.219 -2.329 -2.329 76 2HB HIS 10 1HB HIS 10 21.346 -3.095 -3.095 77 HD1 HIS 10 HD1 HIS 10 18.875 -2.494 -2.494 78 HD2 HIS 10 HD2 HIS 10 19.380 -4.993 -4.993 79 HE1 HIS 10 HE1 HIS 10 16.585 -3.398 -3.398 80 HE2 HIS 10 HE2 HIS 10 16.922 -4.943 -4.943 81 H THR 11 H THR 11 21.239 -5.469 -5.469 82 HA THR 11 HA THR 11 23.924 -5.691 -5.691 83 HB THR 11 HB THR 11 23.237 -8.096 -8.096 84 HG1 THR 11 HG1 THR 11 21.299 -8.505 -8.505 85 1HG2 THR 11 1HG2 THR 11 24.857 -7.212 -7.212 86 2HG2 THR 11 3HG2 THR 11 23.711 -8.191 -8.191 87 3HG2 THR 11 2HG2 THR 11 24.619 -8.908 -8.908 88 H ASP 12 H ASP 12 23.904 -5.008 -5.008 89 HA ASP 12 HA ASP 12 23.207 -4.421 -4.421 90 1HB ASP 12 2HB ASP 12 21.139 -6.596 -6.596 91 2HB ASP 12 1HB ASP 12 21.689 -5.908 -5.908 92 HA PRO 13 HA PRO 13 19.870 -1.681 -1.681 93 1HB PRO 13 2HB PRO 13 20.678 0.470 0.470 94 2HB PRO 13 1HB PRO 13 21.437 0.003 0.003 95 1HG PRO 13 2HG PRO 13 22.360 -0.499 -0.499 96 2HG PRO 13 1HG PRO 13 23.298 0.032 0.032 97 1HD PRO 13 2HD PRO 13 23.267 -2.542 -2.542 98 2HD PRO 13 1HD PRO 13 23.478 -2.103 -2.103 99 H MET 14 H MET 14 20.537 -3.180 -3.180 100 HA MET 14 HA MET 14 19.386 -3.391 -3.391 101 1HB MET 14 2HB MET 14 17.541 -3.549 -3.549 102 2HB MET 14 1HB MET 14 16.902 -2.207 -2.207 103 1HG MET 14 2HG MET 14 16.368 -3.516 -3.516 104 2HG MET 14 1HG MET 14 17.714 -4.621 -4.621 105 1HE MET 14 2HE MET 14 14.517 -4.296 -4.296 106 2HE MET 14 1HE MET 14 14.054 -5.967 -5.967 107 3HE MET 14 3HE MET 14 13.515 -4.679 -4.679 108 H SER 15 H SER 15 20.872 -1.039 -1.039 109 HA SER 15 HA SER 15 21.170 1.102 1.102 110 1HB SER 15 2HB SER 15 20.083 -0.394 -0.394 111 2HB SER 15 1HB SER 15 19.188 1.125 1.125 112 HG SER 15 HG SER 15 22.005 0.802 0.802 113 H ALA 16 H ALA 16 19.130 0.493 0.493 114 HA ALA 16 HA ALA 16 17.526 1.521 1.521 115 1HB ALA 16 2HB ALA 16 18.387 3.829 3.829 116 2HB ALA 16 1HB ALA 16 17.172 3.981 3.981 117 3HB ALA 16 3HB ALA 16 18.814 3.485 3.485 118 H ILE 17 H ILE 17 16.871 -0.028 -0.028 119 HA ILE 17 HA ILE 17 14.774 1.162 1.162 120 HB ILE 17 HB ILE 17 15.812 -1.624 -1.624 121 1HG1 ILE 17 2HG1 ILE 17 15.332 -0.246 -0.246 122 2HG1 ILE 17 1HG1 ILE 17 16.686 0.267 0.267 123 1HG2 ILE 17 1HG2 ILE 17 13.139 -0.865 -0.865 124 2HG2 ILE 17 3HG2 ILE 17 14.032 -2.059 -2.059 125 3HG2 ILE 17 2HG2 ILE 17 13.692 -2.359 -2.359 126 1HD1 ILE 17 3HD1 ILE 17 17.238 -2.285 -2.285 127 2HD1 ILE 17 2HD1 ILE 17 16.244 -2.313 -2.313 128 3HD1 ILE 17 1HD1 ILE 17 17.680 -1.293 -1.293 129 H GLN 18 H GLN 18 13.147 1.977 1.977 130 HA GLN 18 HA GLN 18 11.273 2.023 2.023 131 1HB GLN 18 2HB GLN 18 11.333 -0.924 -0.924 132 2HB GLN 18 1HB GLN 18 10.002 -0.147 -0.147 133 1HG GLN 18 2HG GLN 18 9.387 1.105 1.105 134 2HG GLN 18 1HG GLN 18 10.931 0.828 0.828 135 1HE2 GLN 18 2HE2 GLN 18 8.148 -2.181 -2.181 136 2HE2 GLN 18 1HE2 GLN 18 8.240 -1.055 -1.055 137 H ASN 19 H ASN 19 10.210 0.889 0.889 138 HA ASN 19 HA ASN 19 12.383 0.510 0.510 139 1HB ASN 19 2HB ASN 19 9.619 1.637 1.637 140 2HB ASN 19 1HB ASN 19 10.341 0.931 0.931 141 1HD2 ASN 19 2HD2 ASN 19 12.944 3.391 3.391 142 2HD2 ASN 19 1HD2 ASN 19 12.690 1.689 1.689 143 H LEU 20 H LEU 20 9.827 -1.146 -1.146 144 HA LEU 20 HA LEU 20 8.980 -2.992 -2.992 145 1HB LEU 20 2HB LEU 20 9.314 -3.073 -3.073 146 2HB LEU 20 1HB LEU 20 8.897 -4.550 -4.550 147 HG LEU 20 HG LEU 20 6.868 -3.518 -3.518 148 1HD1 LEU 20 2HD1 LEU 20 7.943 -1.077 -1.077 149 2HD1 LEU 20 1HD1 LEU 20 6.227 -1.266 -1.266 150 3HD1 LEU 20 3HD1 LEU 20 7.412 -1.260 -1.260 151 1HD2 LEU 20 3HD2 LEU 20 7.424 -3.633 -3.633 152 2HD2 LEU 20 2HD2 LEU 20 6.268 -4.543 -4.543 153 3HD2 LEU 20 1HD2 LEU 20 5.912 -2.880 -2.880 154 H HIS 21 H HIS 21 9.521 -5.401 -5.401 155 HA HIS 21 HA HIS 21 12.178 -6.194 -6.194 156 1HB HIS 21 2HB HIS 21 12.571 -4.792 -4.792 157 2HB HIS 21 1HB HIS 21 11.568 -5.920 -5.920 158 HD1 HIS 21 HD1 HIS 21 14.612 -6.227 -6.227 159 HD2 HIS 21 HD2 HIS 21 13.092 -7.731 -7.731 160 HE1 HIS 21 HE1 HIS 21 16.363 -7.811 -7.811 161 HE2 HIS 21 HE2 HIS 21 15.382 -8.780 -8.780 162 H SER 22 H SER 22 10.878 -7.804 -7.804 163 HA SER 22 HA SER 22 9.059 -9.477 -9.477 164 1HB SER 22 2HB SER 22 10.615 -9.586 -9.586 165 2HB SER 22 1HB SER 22 10.014 -11.127 -11.127 166 HG SER 22 HG SER 22 8.612 -8.907 -8.907 167 H PHE 23 H PHE 23 9.419 -10.730 -10.730 168 HA PHE 23 HA PHE 23 11.970 -11.515 -11.515 169 1HB PHE 23 2HB PHE 23 9.671 -11.342 -11.342 170 2HB PHE 23 1HB PHE 23 9.509 -13.030 -13.030 171 HD1 PHE 23 HD2 PHE 23 11.494 -10.643 -10.643 172 HD2 PHE 23 HD1 PHE 23 10.793 -14.737 -14.737 173 HE1 PHE 23 HE2 PHE 23 12.868 -11.309 -11.309 174 HE2 PHE 23 HE1 PHE 23 12.164 -15.411 -15.411 175 HZ PHE 23 HZ PHE 23 13.205 -13.696 -13.696 176 H ASP 24 H ASP 24 13.152 -13.335 -13.335 177 HA ASP 24 HA ASP 24 13.913 -15.265 -15.265 178 1HB ASP 24 2HB ASP 24 11.020 -15.783 -15.783 179 2HB ASP 24 1HB ASP 24 11.872 -16.891 -16.891 180 HA PRO 25 HA PRO 25 12.822 -13.363 -13.363 181 1HB PRO 25 2HB PRO 25 15.792 -13.393 -13.393 182 2HB PRO 25 1HB PRO 25 14.662 -12.133 -12.133 183 1HG PRO 25 2HG PRO 25 16.083 -11.872 -11.872 184 2HG PRO 25 1HG PRO 25 14.402 -11.315 -11.315 185 1HD PRO 25 2HD PRO 25 15.525 -13.773 -13.773 186 2HD PRO 25 1HD PRO 25 14.208 -12.715 -12.715 187 H PHE 26 H PHE 26 14.937 -15.896 -15.896 188 HA PHE 26 HA PHE 26 14.684 -17.277 -17.277 189 1HB PHE 26 2HB PHE 26 16.618 -18.656 -18.656 190 2HB PHE 26 1HB PHE 26 16.912 -17.500 -17.500 191 HD1 PHE 26 HD2 PHE 26 17.441 -15.144 -15.144 192 HD2 PHE 26 HD1 PHE 26 17.160 -18.162 -18.162 193 HE1 PHE 26 HE2 PHE 26 18.658 -13.695 -13.695 194 HE2 PHE 26 HE1 PHE 26 18.377 -16.718 -16.718 195 HZ PHE 26 HZ PHE 26 19.128 -14.481 -14.481 196 H ALA 27 H ALA 27 12.583 -17.280 -17.280 197 HA ALA 27 HA ALA 27 12.186 -20.106 -20.106 198 1HB ALA 27 3HB ALA 27 13.496 -19.036 -19.036 199 2HB ALA 27 2HB ALA 27 11.817 -18.868 -18.868 200 3HB ALA 27 1HB ALA 27 12.451 -20.455 -20.455 201 H ASP 28 H ASP 28 10.158 -20.355 -20.355 202 HA ASP 28 HA ASP 28 8.255 -18.185 -18.185 203 1HB ASP 28 2HB ASP 28 6.751 -19.753 -19.753 204 2HB ASP 28 1HB ASP 28 8.263 -19.376 -19.376 205 H ALA 29 H ALA 29 8.340 -18.328 -18.328 206 HA ALA 29 HA ALA 29 7.230 -20.553 -20.553 207 1HB ALA 29 2HB ALA 29 7.734 -17.698 -17.698 208 2HB ALA 29 1HB ALA 29 6.942 -18.829 -18.829 209 3HB ALA 29 3HB ALA 29 8.580 -19.154 -19.154 210 H SER 30 H SER 30 5.198 -20.611 -20.611 211 HA SER 30 HA SER 30 2.929 -20.522 -20.522 212 1HB SER 30 2HB SER 30 2.689 -17.871 -17.871 213 2HB SER 30 1HB SER 30 2.050 -18.443 -18.443 214 HG SER 30 HG SER 30 4.169 -16.923 -16.923 215 H LYS 31 H LYS 31 2.312 -22.056 -22.056 216 HA LYS 31 HA LYS 31 2.343 -21.611 -21.611 217 1HB LYS 31 2HB LYS 31 2.384 -23.844 -23.844 218 2HB LYS 31 1HB LYS 31 0.660 -23.771 -23.771 219 1HG LYS 31 2HG LYS 31 0.993 -24.618 -24.618 220 2HG LYS 31 1HG LYS 31 2.089 -23.296 -23.296 221 1HD LYS 31 2HD LYS 31 3.955 -24.505 -24.505 222 2HD LYS 31 1HD LYS 31 2.876 -25.799 -25.799 223 1HE LYS 31 2HE LYS 31 2.545 -26.572 -26.572 224 2HE LYS 31 1HE LYS 31 3.008 -25.035 -25.035 225 1HZ LYS 31 1HZ LYS 31 4.860 -26.920 -26.920 226 2HZ LYS 31 3HZ LYS 31 4.706 -26.729 -26.729 227 3HZ LYS 31 2HZ LYS 31 5.296 -25.457 -25.457 228 H GLY 32 H GLY 32 0.153 -22.292 -22.292 229 1HA GLY 32 2HA GLY 32 -1.931 -20.508 -20.508 230 2HA GLY 32 1HA GLY 32 -1.601 -20.677 -20.677 231 H ASP 33 H ASP 33 -1.573 -23.469 -23.469 232 HA ASP 33 HA ASP 33 -4.033 -24.395 -24.395 233 1HB ASP 33 2HB ASP 33 -1.717 -25.634 -25.634 234 2HB ASP 33 1HB ASP 33 -2.171 -26.245 -26.245 235 H ASP 34 H ASP 34 -2.342 -24.397 -24.397 236 HA ASP 34 HA ASP 34 -4.940 -24.387 -24.387 237 1HB ASP 34 2HB ASP 34 -4.186 -26.747 -26.747 238 2HB ASP 34 1HB ASP 34 -2.705 -26.281 -26.281 239 H LEU 35 H LEU 35 -4.753 -22.363 -22.363 240 HA LEU 35 HA LEU 35 -2.399 -21.177 -21.177 241 1HB LEU 35 2HB LEU 35 -4.370 -19.882 -19.882 242 2HB LEU 35 1HB LEU 35 -5.275 -20.591 -20.591 243 HG LEU 35 HG LEU 35 -3.293 -19.528 -19.528 244 1HD1 LEU 35 1HD1 LEU 35 -2.226 -18.711 -18.711 245 2HD1 LEU 35 3HD1 LEU 35 -3.549 -17.548 -17.548 246 3HD1 LEU 35 2HD1 LEU 35 -2.441 -17.517 -17.517 247 1HD2 LEU 35 3HD2 LEU 35 -5.926 -19.047 -19.047 248 2HD2 LEU 35 2HD2 LEU 35 -4.870 -18.107 -18.107 249 3HD2 LEU 35 1HD2 LEU 35 -5.263 -17.510 -17.510 250 H LEU 36 H LEU 36 -1.319 -22.580 -22.580 251 HA LEU 36 HA LEU 36 -2.433 -23.897 -23.897 252 1HB LEU 36 2HB LEU 36 0.374 -22.960 -22.960 253 2HB LEU 36 1HB LEU 36 -0.045 -23.896 -23.896 254 HG LEU 36 HG LEU 36 -0.612 -24.885 -24.885 255 1HD1 LEU 36 2HD1 LEU 36 1.932 -24.809 -24.809 256 2HD1 LEU 36 1HD1 LEU 36 1.516 -26.337 -26.337 257 3HD1 LEU 36 3HD1 LEU 36 1.635 -24.864 -24.864 258 1HD2 LEU 36 3HD2 LEU 36 -1.797 -25.898 -25.898 259 2HD2 LEU 36 2HD2 LEU 36 -0.787 -27.027 -27.027 260 3HD2 LEU 36 1HD2 LEU 36 -0.226 -26.379 -26.379 261 HA PRO 37 HA PRO 37 -3.312 -20.675 -20.675 262 1HB PRO 37 2HB PRO 37 -2.415 -22.621 -22.621 263 2HB PRO 37 1HB PRO 37 -3.952 -21.762 -21.762 264 1HG PRO 37 2HG PRO 37 -3.779 -24.359 -24.359 265 2HG PRO 37 1HG PRO 37 -4.809 -23.275 -23.275 266 1HD PRO 37 2HD PRO 37 -2.127 -24.415 -24.415 267 2HD PRO 37 1HD PRO 37 -3.532 -24.138 -24.138 268 H ALA 38 H ALA 38 -2.108 -20.317 -20.317 269 HA ALA 38 HA ALA 38 -0.322 -19.341 -19.341 270 1HB ALA 38 1HB ALA 38 0.691 -21.588 -21.588 271 2HB ALA 38 3HB ALA 38 1.422 -20.850 -20.850 272 3HB ALA 38 2HB ALA 38 1.841 -20.263 -20.263 273 H GLY 39 H GLY 39 -0.839 -17.258 -17.258 274 1HA GLY 39 2HA GLY 39 1.170 -15.987 -15.987 275 2HA GLY 39 1HA GLY 39 -0.347 -16.105 -16.105 276 H THR 40 H THR 40 1.373 -14.534 -14.534 277 HA THR 40 HA THR 40 -0.166 -12.221 -12.221 278 HB THR 40 HB THR 40 -0.978 -12.773 -12.773 279 HG1 THR 40 HG1 THR 40 -1.542 -14.796 -14.796 280 1HG2 THR 40 1HG2 THR 40 -2.287 -12.541 -12.541 281 2HG2 THR 40 3HG2 THR 40 -3.193 -13.494 -13.494 282 3HG2 THR 40 2HG2 THR 40 -2.715 -11.841 -11.841 283 H GLU 41 H GLU 41 1.914 -14.359 -14.359 284 HA GLU 41 HA GLU 41 3.837 -13.963 -13.963 285 1HB GLU 41 2HB GLU 41 3.560 -11.630 -11.630 286 2HB GLU 41 1HB GLU 41 4.216 -11.172 -11.172 287 1HG GLU 41 2HG GLU 41 5.416 -13.543 -13.543 288 2HG GLU 41 1HG GLU 41 5.719 -11.990 -11.990 289 H ASP 42 H ASP 42 0.912 -13.167 -13.167 290 HA ASP 42 HA ASP 42 -0.091 -12.468 -12.468 291 1HB ASP 42 2HB ASP 42 1.884 -14.220 -14.220 292 2HB ASP 42 1HB ASP 42 2.320 -12.822 -12.822 293 H TYR 43 H TYR 43 0.392 -10.317 -10.317 294 HA TYR 43 HA TYR 43 2.255 -8.487 -8.487 295 1HB TYR 43 2HB TYR 43 -0.433 -7.945 -7.945 296 2HB TYR 43 1HB TYR 43 0.839 -6.752 -6.752 297 HD1 TYR 43 HD1 TYR 43 3.032 -8.988 -8.988 298 HD2 TYR 43 HD2 TYR 43 -0.436 -7.447 -7.447 299 HE1 TYR 43 HE1 TYR 43 3.983 -9.592 -9.592 300 HE2 TYR 43 HE2 TYR 43 0.509 -8.048 -8.048 301 HH TYR 43 HH TYR 43 3.746 -8.889 -8.889 302 H ILE 44 H ILE 44 1.640 -6.417 -6.417 303 HA ILE 44 HA ILE 44 -0.184 -7.017 -7.017 304 HB ILE 44 HB ILE 44 2.361 -5.390 -5.390 305 1HG1 ILE 44 2HG1 ILE 44 2.829 -7.750 -7.750 306 2HG1 ILE 44 1HG1 ILE 44 3.067 -7.130 -7.130 307 1HG2 ILE 44 3HG2 ILE 44 0.238 -5.793 -5.793 308 2HG2 ILE 44 2HG2 ILE 44 1.888 -5.320 -5.320 309 3HG2 ILE 44 1HG2 ILE 44 0.900 -4.277 -4.277 310 1HD1 ILE 44 3HD1 ILE 44 0.558 -7.900 -7.900 311 2HD1 ILE 44 2HD1 ILE 44 1.008 -8.982 -8.982 312 3HD1 ILE 44 1HD1 ILE 44 1.906 -9.020 -9.020 313 H HIS 45 H HIS 45 -2.002 -6.002 -6.002 314 HA HIS 45 HA HIS 45 -2.043 -3.482 -3.482 315 1HB HIS 45 2HB HIS 45 -3.880 -5.564 -5.564 316 2HB HIS 45 1HB HIS 45 -4.568 -4.076 -4.076 317 HD1 HIS 45 HD1 HIS 45 -3.363 -5.604 -5.604 318 HD2 HIS 45 HD2 HIS 45 -5.558 -2.340 -2.340 319 HE1 HIS 45 HE1 HIS 45 -4.368 -4.579 -4.579 320 HE2 HIS 45 HE2 HIS 45 -5.761 -2.656 -2.656 321 H ILE 46 H ILE 46 -2.193 -1.496 -1.496 322 HA ILE 46 HA ILE 46 -2.198 -1.111 -1.111 323 HB ILE 46 HB ILE 46 -1.643 0.878 0.878 324 1HG1 ILE 46 2HG1 ILE 46 0.026 -0.973 -0.973 325 2HG1 ILE 46 1HG1 ILE 46 0.683 0.634 0.634 326 1HG2 ILE 46 1HG2 ILE 46 -1.594 1.117 1.117 327 2HG2 ILE 46 3HG2 ILE 46 -0.640 2.180 2.180 328 3HG2 ILE 46 2HG2 ILE 46 -2.397 2.153 2.153 329 1HD1 ILE 46 3HD1 ILE 46 0.157 0.083 0.083 330 2HD1 ILE 46 2HD1 ILE 46 0.163 -1.584 -1.584 331 3HD1 ILE 46 1HD1 ILE 46 1.598 -0.578 -0.578 332 H ARG 47 H ARG 47 -3.368 1.499 1.499 333 HA ARG 47 HA ARG 47 -5.492 2.230 2.230 334 1HB ARG 47 2HB ARG 47 -6.232 -0.216 -0.216 335 2HB ARG 47 1HB ARG 47 -6.697 0.311 0.311 336 1HG ARG 47 2HG ARG 47 -8.590 0.338 0.338 337 2HG ARG 47 1HG ARG 47 -8.204 1.963 1.963 338 1HD ARG 47 2HD ARG 47 -7.679 2.687 2.687 339 2HD ARG 47 1HD ARG 47 -6.823 1.201 1.201 340 HE ARG 47 HE ARG 47 -9.533 1.858 1.858 341 1HH1 ARG 47 2HH1 ARG 47 -7.342 -0.782 -0.782 342 2HH1 ARG 47 1HH1 ARG 47 -8.272 -1.935 -1.935 343 1HH2 ARG 47 1HH2 ARG 47 -10.758 0.343 0.343 344 2HH2 ARG 47 2HH2 ARG 47 -10.210 -1.296 -1.296 345 H ILE 48 H ILE 48 -6.258 4.037 4.037 346 HA ILE 48 HA ILE 48 -5.898 4.655 4.655 347 HB ILE 48 HB ILE 48 -5.169 6.086 6.086 348 1HG1 ILE 48 2HG1 ILE 48 -5.378 7.031 7.031 349 2HG1 ILE 48 1HG1 ILE 48 -4.011 6.180 6.180 350 1HG2 ILE 48 1HG2 ILE 48 -7.528 6.835 6.835 351 2HG2 ILE 48 3HG2 ILE 48 -7.351 7.600 7.600 352 3HG2 ILE 48 2HG2 ILE 48 -6.371 8.146 8.146 353 1HD1 ILE 48 2HD1 ILE 48 -4.758 8.572 8.572 354 2HD1 ILE 48 1HD1 ILE 48 -4.293 8.899 8.899 355 3HD1 ILE 48 3HD1 ILE 48 -3.180 8.048 8.048 356 H GLN 49 H GLN 49 -7.576 6.357 6.357 357 HA GLN 49 HA GLN 49 -10.133 6.274 6.274 358 1HB GLN 49 2HB GLN 49 -11.369 5.101 5.101 359 2HB GLN 49 1HB GLN 49 -10.107 4.053 4.053 360 1HG GLN 49 2HG GLN 49 -8.841 5.229 5.229 361 2HG GLN 49 1HG GLN 49 -10.498 5.122 5.122 362 1HE2 GLN 49 2HE2 GLN 49 -10.207 1.795 1.795 363 2HE2 GLN 49 1HE2 GLN 49 -10.951 3.337 3.337 364 H GLN 50 H GLN 50 -10.304 8.428 8.428 365 HA GLN 50 HA GLN 50 -10.081 9.708 9.708 366 1HB GLN 50 2HB GLN 50 -8.792 10.438 10.438 367 2HB GLN 50 1HB GLN 50 -10.287 11.323 11.323 368 1HG GLN 50 2HG GLN 50 -10.005 12.586 12.586 369 2HG GLN 50 1HG GLN 50 -8.691 11.549 11.549 370 1HE2 GLN 50 2HE2 GLN 50 -6.573 14.045 14.045 371 2HE2 GLN 50 1HE2 GLN 50 -7.252 13.240 13.240 372 H ARG 51 H ARG 51 -12.099 9.350 9.350 373 HA ARG 51 HA ARG 51 -14.537 9.455 9.455 374 1HB ARG 51 2HB ARG 51 -13.803 10.088 10.088 375 2HB ARG 51 1HB ARG 51 -15.468 10.090 10.090 376 1HG ARG 51 2HG ARG 51 -15.574 7.839 7.839 377 2HG ARG 51 1HG ARG 51 -13.885 7.676 7.676 378 1HD ARG 51 2HD ARG 51 -13.116 7.824 7.824 379 2HD ARG 51 1HD ARG 51 -14.623 8.532 8.532 380 HE ARG 51 HE ARG 51 -15.352 6.063 6.063 381 1HH1 ARG 51 2HH1 ARG 51 -12.951 7.232 7.232 382 2HH1 ARG 51 1HH1 ARG 51 -13.010 5.813 5.813 383 1HH2 ARG 51 1HH2 ARG 51 -15.430 4.198 4.198 384 2HH2 ARG 51 2HH2 ARG 51 -14.416 4.090 4.090 385 H ASN 52 H ASN 52 -13.554 12.019 12.019 386 HA ASN 52 HA ASN 52 -15.092 13.962 13.962 387 1HB ASN 52 2HB ASN 52 -13.270 14.636 14.636 388 2HB ASN 52 1HB ASN 52 -14.782 15.404 15.404 389 1HD2 ASN 52 2HD2 ASN 52 -14.878 12.861 12.861 390 2HD2 ASN 52 1HD2 ASN 52 -13.545 13.829 13.829 391 H GLY 53 H GLY 53 -13.200 16.173 16.173 392 1HA GLY 53 2HA GLY 53 -11.514 15.865 15.865 393 2HA GLY 53 1HA GLY 53 -11.853 17.369 17.369 394 H ARG 54 H ARG 54 -10.768 14.377 14.377 395 HA ARG 54 HA ARG 54 -8.032 14.871 14.871 396 1HB ARG 54 2HB ARG 54 -7.753 15.742 15.742 397 2HB ARG 54 1HB ARG 54 -8.494 16.898 16.898 398 1HG ARG 54 2HG ARG 54 -10.720 15.865 15.865 399 2HG ARG 54 1HG ARG 54 -9.661 15.466 15.466 400 1HD ARG 54 2HD ARG 54 -10.239 18.188 18.188 401 2HD ARG 54 1HD ARG 54 -10.649 17.588 17.588 402 HE ARG 54 HE ARG 54 -7.903 17.417 17.417 403 1HH1 ARG 54 1HH1 ARG 54 -9.247 21.164 21.164 404 2HH1 ARG 54 2HH1 ARG 54 -10.309 19.941 19.941 405 1HH2 ARG 54 1HH2 ARG 54 -6.505 19.024 19.024 406 2HH2 ARG 54 2HH2 ARG 54 -7.087 20.644 20.644 407 H LYS 55 H LYS 55 -10.840 13.487 13.487 408 HA LYS 55 HA LYS 55 -9.513 11.743 11.743 409 1HB LYS 55 2HB LYS 55 -11.935 12.318 12.318 410 2HB LYS 55 1HB LYS 55 -12.195 11.331 11.331 411 1HG LYS 55 2HG LYS 55 -12.795 10.159 10.159 412 2HG LYS 55 1HG LYS 55 -11.490 9.350 9.350 413 1HD LYS 55 2HD LYS 55 -11.046 9.410 9.410 414 2HD LYS 55 1HD LYS 55 -9.852 10.356 10.356 415 1HE LYS 55 2HE LYS 55 -10.633 11.486 11.486 416 2HE LYS 55 1HE LYS 55 -10.977 12.409 12.409 417 1HZ LYS 55 2HZ LYS 55 -12.926 10.704 10.704 418 2HZ LYS 55 1HZ LYS 55 -12.862 12.393 12.393 419 3HZ LYS 55 3HZ LYS 55 -13.251 11.611 11.611 420 H THR 56 H THR 56 -7.787 11.241 11.241 421 HA THR 56 HA THR 56 -8.490 9.211 9.211 422 HB THR 56 HB THR 56 -5.645 9.741 9.741 423 HG1 THR 56 HG1 THR 56 -6.138 11.812 11.812 424 1HG2 THR 56 3HG2 THR 56 -7.278 9.039 9.039 425 2HG2 THR 56 2HG2 THR 56 -6.139 10.339 10.339 426 3HG2 THR 56 1HG2 THR 56 -5.553 8.799 8.799 427 H LEU 57 H LEU 57 -7.259 7.160 7.160 428 HA LEU 57 HA LEU 57 -6.107 6.139 6.139 429 1HB LEU 57 2HB LEU 57 -8.941 5.686 5.686 430 2HB LEU 57 1HB LEU 57 -8.042 4.221 4.221 431 HG LEU 57 HG LEU 57 -7.864 6.544 6.544 432 1HD1 LEU 57 1HD1 LEU 57 -10.306 5.658 5.658 433 2HD1 LEU 57 3HD1 LEU 57 -9.889 4.482 4.482 434 3HD1 LEU 57 2HD1 LEU 57 -9.878 6.205 6.205 435 1HD2 LEU 57 3HD2 LEU 57 -7.081 3.742 3.742 436 2HD2 LEU 57 2HD2 LEU 57 -6.499 5.060 5.060 437 3HD2 LEU 57 1HD2 LEU 57 -7.959 4.178 4.178 438 H THR 58 H THR 58 -4.366 5.526 5.526 439 HA THR 58 HA THR 58 -4.657 4.047 4.047 440 HB THR 58 HB THR 58 -2.220 4.364 4.364 441 HG1 THR 58 HG1 THR 58 -3.315 6.316 6.316 442 1HG2 THR 58 2HG2 THR 58 -2.525 3.513 3.513 443 2HG2 THR 58 1HG2 THR 58 -1.010 4.111 4.111 444 3HG2 THR 58 3HG2 THR 58 -1.744 2.644 2.644 445 H THR 59 H THR 59 -5.222 1.977 1.977 446 HA THR 59 HA THR 59 -4.787 0.220 0.220 447 HB THR 59 HB THR 59 -6.246 -1.293 -1.293 448 HG1 THR 59 HG1 THR 59 -7.131 1.367 1.367 449 1HG2 THR 59 1HG2 THR 59 -7.010 0.583 0.583 450 2HG2 THR 59 3HG2 THR 59 -8.291 -0.101 -0.101 451 3HG2 THR 59 2HG2 THR 59 -7.203 -1.167 -1.167 452 H VAL 60 H VAL 60 -4.170 -2.047 -2.047 453 HA VAL 60 HA VAL 60 -2.418 -2.318 -2.318 454 HB VAL 60 HB VAL 60 -1.657 -3.146 -3.146 455 1HG1 VAL 60 1HG1 VAL 60 -0.126 -3.308 -3.308 456 2HG1 VAL 60 3HG1 VAL 60 0.525 -3.690 -3.690 457 3HG1 VAL 60 2HG1 VAL 60 -0.776 -4.667 -4.667 458 1HG2 VAL 60 1HG2 VAL 60 -0.879 -0.810 -0.810 459 2HG2 VAL 60 3HG2 VAL 60 -1.399 -0.830 -0.830 460 3HG2 VAL 60 2HG2 VAL 60 0.202 -1.428 -1.428 461 H GLN 61 H GLN 61 -3.131 -3.967 -3.967 462 HA GLN 61 HA GLN 61 -4.222 -6.314 -6.314 463 1HB GLN 61 2HB GLN 61 -4.954 -6.304 -6.304 464 2HB GLN 61 1HB GLN 61 -5.995 -6.276 -6.276 465 1HG GLN 61 2HG GLN 61 -5.659 -3.791 -3.791 466 2HG GLN 61 1HG GLN 61 -4.850 -3.928 -3.928 467 1HE2 GLN 61 2HE2 GLN 61 -8.133 -5.324 -5.324 468 2HE2 GLN 61 1HE2 GLN 61 -6.637 -6.090 -6.090 469 H GLY 62 H GLY 62 -3.471 -8.323 -8.323 470 1HA GLY 62 2HA GLY 62 -2.365 -9.801 -9.801 471 2HA GLY 62 1HA GLY 62 -1.318 -8.448 -8.448 472 H ILE 63 H ILE 63 -1.052 -7.646 -7.646 473 HA ILE 63 HA ILE 63 1.268 -9.118 -9.118 474 HB ILE 63 HB ILE 63 -0.370 -7.136 -7.136 475 1HG1 ILE 63 2HG1 ILE 63 0.780 -5.872 -5.872 476 2HG1 ILE 63 1HG1 ILE 63 1.999 -5.955 -5.955 477 1HG2 ILE 63 1HG2 ILE 63 1.765 -8.897 -8.897 478 2HG2 ILE 63 3HG2 ILE 63 1.973 -7.192 -7.192 479 3HG2 ILE 63 2HG2 ILE 63 0.510 -8.039 -8.039 480 1HD1 ILE 63 1HD1 ILE 63 2.891 -7.986 -7.986 481 2HD1 ILE 63 3HD1 ILE 63 1.888 -7.409 -7.409 482 3HD1 ILE 63 2HD1 ILE 63 3.166 -6.381 -6.381 483 H ALA 64 H ALA 64 1.680 -10.594 -10.594 484 HA ALA 64 HA ALA 64 -0.360 -12.498 -12.498 485 1HB ALA 64 3HB ALA 64 2.265 -12.717 -12.717 486 2HB ALA 64 2HB ALA 64 2.091 -12.478 -12.478 487 3HB ALA 64 1HB ALA 64 1.272 -13.824 -13.824 488 H ASP 65 H ASP 65 -1.013 -13.287 -13.287 489 HA ASP 65 HA ASP 65 -1.714 -11.032 -11.032 490 1HB ASP 65 2HB ASP 65 -3.182 -12.846 -12.846 491 2HB ASP 65 1HB ASP 65 -3.639 -12.274 -12.274 492 H ASP 66 H ASP 66 0.960 -12.482 -12.482 493 HA ASP 66 HA ASP 66 1.228 -12.776 -12.776 494 1HB ASP 66 2HB ASP 66 2.276 -14.806 -14.806 495 2HB ASP 66 1HB ASP 66 2.568 -14.822 -14.822 496 H TYR 67 H TYR 67 1.961 -10.633 -10.633 497 HA TYR 67 HA TYR 67 4.820 -10.837 -10.837 498 1HB TYR 67 2HB TYR 67 2.693 -8.821 -8.821 499 2HB TYR 67 1HB TYR 67 4.364 -8.278 -8.278 500 HD1 TYR 67 HD2 TYR 67 3.936 -11.670 -11.670 501 HD2 TYR 67 HD1 TYR 67 3.938 -7.598 -7.598 502 HE1 TYR 67 HE2 TYR 67 4.254 -12.375 -12.375 503 HE2 TYR 67 HE1 TYR 67 4.252 -8.285 -8.285 504 HH TYR 67 HH TYR 67 3.677 -10.520 -10.520 505 H ASP 68 H ASP 68 3.978 -11.133 -11.133 506 HA ASP 68 HA ASP 68 4.800 -10.543 -10.543 507 1HB ASP 68 2HB ASP 68 6.688 -9.523 -9.523 508 2HB ASP 68 1HB ASP 68 6.039 -8.014 -8.014 509 H LYS 69 H LYS 69 2.693 -8.751 -8.751 510 HA LYS 69 HA LYS 69 1.063 -7.246 -7.246 511 1HB LYS 69 2HB LYS 69 0.410 -8.851 -8.851 512 2HB LYS 69 1HB LYS 69 1.575 -8.179 -8.179 513 1HG LYS 69 2HG LYS 69 0.271 -5.990 -5.990 514 2HG LYS 69 1HG LYS 69 -0.990 -6.981 -6.981 515 1HD LYS 69 2HD LYS 69 -0.184 -8.313 -8.313 516 2HD LYS 69 1HD LYS 69 -0.364 -6.609 -6.609 517 1HE LYS 69 2HE LYS 69 -2.498 -7.440 -7.440 518 2HE LYS 69 1HE LYS 69 -2.602 -6.775 -6.775 519 1HZ LYS 69 2HZ LYS 69 -1.853 -9.257 -9.257 520 2HZ LYS 69 1HZ LYS 69 -2.704 -9.543 -9.543 521 3HZ LYS 69 3HZ LYS 69 -3.474 -8.794 -8.794 522 H LYS 70 H LYS 70 2.829 -6.727 -6.727 523 HA LYS 70 HA LYS 70 2.703 -3.979 -3.979 524 1HB LYS 70 2HB LYS 70 5.024 -5.585 -5.585 525 2HB LYS 70 1HB LYS 70 4.490 -4.001 -4.001 526 1HG LYS 70 2HG LYS 70 2.235 -5.351 -5.351 527 2HG LYS 70 1HG LYS 70 3.382 -6.682 -6.682 528 1HD LYS 70 2HD LYS 70 4.603 -5.473 -5.473 529 2HD LYS 70 1HD LYS 70 3.543 -4.077 -4.077 530 1HE LYS 70 2HE LYS 70 2.504 -6.791 -6.791 531 2HE LYS 70 1HE LYS 70 3.068 -5.628 -5.628 532 1HZ LYS 70 3HZ LYS 70 1.116 -4.710 -4.710 533 2HZ LYS 70 2HZ LYS 70 0.563 -5.736 -5.736 534 3HZ LYS 70 1HZ LYS 70 1.302 -4.267 -4.267 535 H LYS 71 H LYS 71 5.579 -5.868 -5.868 536 HA LYS 71 HA LYS 71 7.160 -3.845 -3.845 537 1HB LYS 71 2HB LYS 71 7.427 -6.502 -6.502 538 2HB LYS 71 1HB LYS 71 7.087 -6.327 -6.327 539 1HG LYS 71 2HG LYS 71 9.419 -6.286 -6.286 540 2HG LYS 71 1HG LYS 71 8.947 -4.599 -4.599 541 1HD LYS 71 2HD LYS 71 9.204 -4.174 -4.174 542 2HD LYS 71 1HD LYS 71 9.482 -5.886 -5.886 543 1HE LYS 71 2HE LYS 71 11.644 -5.182 -5.182 544 2HE LYS 71 1HE LYS 71 11.432 -5.506 -5.506 545 1HZ LYS 71 3HZ LYS 71 10.694 -3.042 -3.042 546 2HZ LYS 71 2HZ LYS 71 11.535 -2.921 -2.921 547 3HZ LYS 71 1HZ LYS 71 12.345 -3.412 -3.412 548 H LEU 72 H LEU 72 4.267 -5.101 -5.101 549 HA LEU 72 HA LEU 72 4.740 -4.189 -4.189 550 1HB LEU 72 2HB LEU 72 2.954 -5.862 -5.862 551 2HB LEU 72 1HB LEU 72 1.969 -4.412 -4.412 552 HG LEU 72 HG LEU 72 3.159 -5.751 -5.751 553 1HD1 LEU 72 1HD1 LEU 72 0.494 -5.531 -5.531 554 2HD1 LEU 72 3HD1 LEU 72 0.551 -5.291 -5.291 555 3HD1 LEU 72 2HD1 LEU 72 1.171 -6.784 -6.784 556 1HD2 LEU 72 1HD2 LEU 72 3.455 -3.292 -3.292 557 2HD2 LEU 72 3HD2 LEU 72 2.346 -3.927 -3.927 558 3HD2 LEU 72 2HD2 LEU 72 1.713 -3.106 -3.106 559 H VAL 73 H VAL 73 2.294 -2.935 -2.935 560 HA VAL 73 HA VAL 73 2.369 -0.377 -0.377 561 HB VAL 73 HB VAL 73 0.645 0.202 0.202 562 1HG1 VAL 73 1HG1 VAL 73 0.079 -1.686 -1.686 563 2HG1 VAL 73 3HG1 VAL 73 -1.151 -0.784 -0.784 564 3HG1 VAL 73 2HG1 VAL 73 0.069 0.076 0.076 565 1HG2 VAL 73 2HG2 VAL 73 1.308 -2.171 -2.171 566 2HG2 VAL 73 1HG2 VAL 73 -0.303 -1.478 -1.478 567 3HG2 VAL 73 3HG2 VAL 73 0.005 -2.689 -2.689 568 H LYS 74 H LYS 74 3.166 -1.641 -1.641 569 HA LYS 74 HA LYS 74 3.688 0.674 0.674 570 1HB LYS 74 2HB LYS 74 3.906 -1.748 -1.748 571 2HB LYS 74 1HB LYS 74 5.534 -1.701 -1.701 572 1HG LYS 74 2HG LYS 74 5.957 0.296 0.296 573 2HG LYS 74 1HG LYS 74 4.411 -0.053 -0.053 574 1HD LYS 74 2HD LYS 74 5.216 -1.869 -1.869 575 2HD LYS 74 1HD LYS 74 6.261 -2.334 -2.334 576 1HE LYS 74 2HE LYS 74 7.723 -1.722 -1.722 577 2HE LYS 74 1HE LYS 74 7.705 -0.342 -0.342 578 1HZ LYS 74 2HZ LYS 74 5.770 0.380 0.380 579 2HZ LYS 74 1HZ LYS 74 6.650 -0.575 -0.575 580 3HZ LYS 74 3HZ LYS 74 7.392 0.740 0.740 581 H ALA 75 H ALA 75 5.753 -0.970 -0.970 582 HA ALA 75 HA ALA 75 7.993 0.745 0.745 583 1HB ALA 75 2HB ALA 75 7.151 -1.192 -1.192 584 2HB ALA 75 1HB ALA 75 8.581 -0.180 -0.180 585 3HB ALA 75 3HB ALA 75 8.484 -1.314 -1.314 586 H PHE 76 H PHE 76 5.103 0.843 0.843 587 HA PHE 76 HA PHE 76 5.884 2.841 2.841 588 1HB PHE 76 2HB PHE 76 3.739 1.331 1.331 589 2HB PHE 76 1HB PHE 76 3.062 2.670 2.670 590 HD1 PHE 76 HD2 PHE 76 4.550 1.728 1.728 591 HD2 PHE 76 HD1 PHE 76 2.371 4.663 4.663 592 HE1 PHE 76 HE2 PHE 76 4.075 2.926 2.926 593 HE2 PHE 76 HE1 PHE 76 1.899 5.866 5.866 594 HZ PHE 76 HZ PHE 76 2.750 4.998 4.998 595 H LYS 77 H LYS 77 3.964 3.135 3.135 596 HA LYS 77 HA LYS 77 3.811 5.914 5.914 597 1HB LYS 77 2HB LYS 77 3.931 4.007 4.007 598 2HB LYS 77 1HB LYS 77 3.318 5.654 5.654 599 1HG LYS 77 2HG LYS 77 1.738 4.726 4.726 600 2HG LYS 77 1HG LYS 77 2.088 3.194 3.194 601 1HD LYS 77 2HD LYS 77 1.010 5.674 5.674 602 2HD LYS 77 1HD LYS 77 0.058 4.260 4.260 603 1HE LYS 77 2HE LYS 77 1.305 2.873 2.873 604 2HE LYS 77 1HE LYS 77 2.408 4.200 4.200 605 1HZ LYS 77 1HZ LYS 77 -0.397 4.760 4.760 606 2HZ LYS 77 3HZ LYS 77 0.274 3.585 3.585 607 3HZ LYS 77 2HZ LYS 77 0.952 5.133 5.133 608 H LYS 78 H LYS 78 6.494 3.849 3.849 609 HA LYS 78 HA LYS 78 7.925 5.899 5.899 610 1HB LYS 78 2HB LYS 78 8.168 3.005 3.005 611 2HB LYS 78 1HB LYS 78 9.710 3.849 3.849 612 1HG LYS 78 2HG LYS 78 7.826 4.498 4.498 613 2HG LYS 78 1HG LYS 78 8.659 2.942 2.942 614 1HD LYS 78 2HD LYS 78 10.794 3.992 3.992 615 2HD LYS 78 1HD LYS 78 10.086 5.565 5.565 616 1HE LYS 78 2HE LYS 78 9.580 5.983 5.983 617 2HE LYS 78 1HE LYS 78 9.047 4.330 4.330 618 1HZ LYS 78 1HZ LYS 78 11.909 5.044 5.044 619 2HZ LYS 78 3HZ LYS 78 11.085 5.100 5.100 620 3HZ LYS 78 2HZ LYS 78 11.233 3.634 3.634 621 H LYS 79 H LYS 79 7.662 4.667 4.667 622 HA LYS 79 HA LYS 79 10.204 5.859 5.859 623 1HB LYS 79 2HB LYS 79 9.169 3.543 3.543 624 2HB LYS 79 1HB LYS 79 8.375 4.560 4.560 625 1HG LYS 79 2HG LYS 79 11.094 5.312 5.312 626 2HG LYS 79 1HG LYS 79 11.037 3.549 3.549 627 1HD LYS 79 2HD LYS 79 9.888 3.502 3.502 628 2HD LYS 79 1HD LYS 79 9.331 5.168 5.168 629 1HE LYS 79 2HE LYS 79 12.098 4.195 4.195 630 2HE LYS 79 1HE LYS 79 11.018 5.169 5.169 631 1HZ LYS 79 3HZ LYS 79 11.247 6.722 6.722 632 2HZ LYS 79 2HZ LYS 79 12.764 5.975 5.975 633 3HZ LYS 79 1HZ LYS 79 12.271 6.836 6.836 634 H PHE 80 H PHE 80 6.747 6.353 6.353 635 HA PHE 80 HA PHE 80 7.337 8.773 8.773 636 1HB PHE 80 2HB PHE 80 4.733 7.258 7.258 637 2HB PHE 80 1HB PHE 80 5.289 8.516 8.516 638 HD1 PHE 80 HD2 PHE 80 6.987 8.033 8.033 639 HD2 PHE 80 HD1 PHE 80 5.471 4.995 4.995 640 HE1 PHE 80 HE2 PHE 80 7.927 6.315 6.315 641 HE2 PHE 80 HE1 PHE 80 6.408 3.270 3.270 642 HZ PHE 80 HZ PHE 80 7.638 3.931 3.931 643 H ALA 81 H ALA 81 5.987 7.571 7.571 644 HA ALA 81 HA ALA 81 5.127 8.682 8.682 645 1HB ALA 81 2HB ALA 81 6.545 10.639 10.639 646 2HB ALA 81 1HB ALA 81 4.921 11.320 11.320 647 3HB ALA 81 3HB ALA 81 5.600 10.869 10.869 648 H CYS 82 H CYS 82 3.560 7.538 7.538 649 HA CYS 82 HA CYS 82 1.134 9.189 9.189 650 1HB CYS 82 2HB CYS 82 1.585 6.737 6.737 651 2HB CYS 82 1HB CYS 82 0.359 7.982 7.982 652 HG CYS 82 HG CYS 82 2.352 9.612 9.612 653 H ASN 83 H ASN 83 -0.726 7.129 7.129 654 HA ASN 83 HA ASN 83 -0.589 5.597 5.597 655 1HB ASN 83 2HB ASN 83 -2.322 6.976 6.976 656 2HB ASN 83 1HB ASN 83 -2.726 7.318 7.318 657 1HD2 ASN 83 2HD2 ASN 83 -4.968 4.612 4.612 658 2HD2 ASN 83 1HD2 ASN 83 -3.851 5.613 5.613 659 H GLY 84 H GLY 84 -0.508 3.480 3.480 660 1HA GLY 84 2HA GLY 84 -1.653 2.401 2.401 661 2HA GLY 84 1HA GLY 84 -0.249 1.723 1.723 662 H THR 85 H THR 85 -3.509 1.385 1.385 663 HA THR 85 HA THR 85 -3.838 -0.169 -0.169 664 HB THR 85 HB THR 85 -6.183 0.240 0.240 665 HG1 THR 85 HG1 THR 85 -5.685 1.293 1.293 666 1HG2 THR 85 2HG2 THR 85 -4.673 2.750 2.750 667 2HG2 THR 85 1HG2 THR 85 -6.369 2.731 2.731 668 3HG2 THR 85 3HG2 THR 85 -5.130 2.139 2.139 669 H VAL 86 H VAL 86 -5.124 -2.133 -2.133 670 HA VAL 86 HA VAL 86 -4.796 -3.442 -3.442 671 HB VAL 86 HB VAL 86 -3.420 -4.430 -4.430 672 1HG1 VAL 86 3HG1 VAL 86 -5.533 -3.908 -3.908 673 2HG1 VAL 86 2HG1 VAL 86 -5.645 -5.656 -5.656 674 3HG1 VAL 86 1HG1 VAL 86 -4.154 -4.935 -4.935 675 1HG2 VAL 86 3HG2 VAL 86 -5.679 -6.077 -6.077 676 2HG2 VAL 86 2HG2 VAL 86 -4.026 -5.938 -5.938 677 3HG2 VAL 86 1HG2 VAL 86 -4.348 -6.789 -6.789 678 H ILE 87 H ILE 87 -6.731 -3.363 -3.363 679 HA ILE 87 HA ILE 87 -9.116 -4.158 -4.158 680 HB ILE 87 HB ILE 87 -10.486 -2.859 -2.859 681 1HG1 ILE 87 2HG1 ILE 87 -8.650 -1.222 -1.222 682 2HG1 ILE 87 1HG1 ILE 87 -8.082 -2.871 -2.871 683 1HG2 ILE 87 2HG2 ILE 87 -8.185 -1.326 -1.326 684 2HG2 ILE 87 1HG2 ILE 87 -9.659 -0.578 -0.578 685 3HG2 ILE 87 3HG2 ILE 87 -9.739 -1.692 -1.692 686 1HD1 ILE 87 3HD1 ILE 87 -10.399 -3.456 -3.456 687 2HD1 ILE 87 2HD1 ILE 87 -10.769 -1.733 -1.733 688 3HD1 ILE 87 1HD1 ILE 87 -9.526 -2.345 -2.345 689 H GLU 88 H GLU 88 -10.711 -5.428 -5.428 690 HA GLU 88 HA GLU 88 -9.547 -7.109 -7.109 691 1HB GLU 88 2HB GLU 88 -10.503 -7.984 -7.984 692 2HB GLU 88 1HB GLU 88 -12.040 -7.874 -7.874 693 1HG GLU 88 2HG GLU 88 -10.413 -9.158 -9.158 694 2HG GLU 88 1HG GLU 88 -9.901 -9.818 -9.818 695 H HIS 89 H HIS 89 -10.075 -5.364 -5.364 696 HA HIS 89 HA HIS 89 -12.625 -4.436 -4.436 697 1HB HIS 89 2HB HIS 89 -10.207 -3.910 -3.910 698 2HB HIS 89 1HB HIS 89 -10.801 -4.955 -4.955 699 HD1 HIS 89 HD1 HIS 89 -12.294 -3.901 -3.901 700 HD2 HIS 89 HD2 HIS 89 -11.902 -1.574 -1.574 701 HE1 HIS 89 HE1 HIS 89 -13.472 -1.742 -1.742 702 HE2 HIS 89 HE2 HIS 89 -13.165 -0.322 -0.322 703 HA PRO 90 HA PRO 90 -14.594 -8.037 -8.037 704 1HB PRO 90 2HB PRO 90 -16.849 -6.903 -6.903 705 2HB PRO 90 1HB PRO 90 -16.514 -7.041 -7.041 706 1HG PRO 90 2HG PRO 90 -16.207 -4.675 -4.675 707 2HG PRO 90 1HG PRO 90 -16.857 -4.748 -4.748 708 1HD PRO 90 2HD PRO 90 -14.296 -3.961 -3.961 709 2HD PRO 90 1HD PRO 90 -14.777 -4.648 -4.648 710 H GLU 91 H GLU 91 -13.764 -5.229 -5.229 711 HA GLU 91 HA GLU 91 -14.512 -6.360 -6.360 712 1HB GLU 91 2HB GLU 91 -13.828 -3.787 -3.787 713 2HB GLU 91 1HB GLU 91 -12.695 -4.178 -4.178 714 1HG GLU 91 2HG GLU 91 -15.614 -4.593 -4.593 715 2HG GLU 91 1HG GLU 91 -14.932 -2.970 -2.970 716 H TYR 92 H TYR 92 -11.719 -6.303 -6.303 717 HA TYR 92 HA TYR 92 -10.152 -7.605 -7.605 718 1HB TYR 92 2HB TYR 92 -8.824 -6.313 -6.313 719 2HB TYR 92 1HB TYR 92 -8.207 -6.570 -6.570 720 HD1 TYR 92 HD1 TYR 92 -10.369 -5.372 -5.372 721 HD2 TYR 92 HD2 TYR 92 -8.568 -4.021 -4.021 722 HE1 TYR 92 HE1 TYR 92 -10.952 -3.056 -3.056 723 HE2 TYR 92 HE2 TYR 92 -9.145 -1.701 -1.701 724 HH TYR 92 HH TYR 92 -11.325 -0.899 -0.899 725 H GLY 93 H GLY 93 -10.529 -7.427 -7.427 726 1HA GLY 93 2HA GLY 93 -10.953 -9.356 -9.356 727 2HA GLY 93 1HA GLY 93 -10.201 -10.345 -10.345 728 H GLU 94 H GLU 94 -9.654 -8.245 -8.245 729 HA GLU 94 HA GLU 94 -7.929 -8.138 -8.138 730 1HB GLU 94 2HB GLU 94 -7.763 -10.700 -10.700 731 2HB GLU 94 1HB GLU 94 -6.189 -10.087 -10.087 732 1HG GLU 94 2HG GLU 94 -5.521 -9.690 -9.690 733 2HG GLU 94 1HG GLU 94 -7.175 -9.628 -9.628 734 H VAL 95 H VAL 95 -7.355 -6.066 -6.066 735 HA VAL 95 HA VAL 95 -4.842 -5.898 -5.898 736 HB VAL 95 HB VAL 95 -5.668 -3.877 -3.877 737 1HG1 VAL 95 3HG1 VAL 95 -5.617 -6.366 -6.366 738 2HG1 VAL 95 2HG1 VAL 95 -7.370 -6.177 -6.177 739 3HG1 VAL 95 1HG1 VAL 95 -6.362 -5.109 -5.109 740 1HG2 VAL 95 1HG2 VAL 95 -7.777 -3.932 -3.932 741 2HG2 VAL 95 3HG2 VAL 95 -7.801 -3.140 -3.140 742 3HG2 VAL 95 2HG2 VAL 95 -8.467 -4.763 -4.763 743 H ILE 96 H ILE 96 -3.559 -4.106 -4.106 744 HA ILE 96 HA ILE 96 -4.147 -2.997 -2.997 745 HB ILE 96 HB ILE 96 -1.746 -3.256 -3.256 746 1HG1 ILE 96 2HG1 ILE 96 -2.416 -4.593 -4.593 747 2HG1 ILE 96 1HG1 ILE 96 -0.757 -4.003 -4.003 748 1HG2 ILE 96 1HG2 ILE 96 -2.040 -0.923 -0.923 749 2HG2 ILE 96 3HG2 ILE 96 -0.506 -1.497 -1.497 750 3HG2 ILE 96 2HG2 ILE 96 -1.742 -0.852 -0.852 751 1HD1 ILE 96 2HD1 ILE 96 -2.170 -1.995 -1.995 752 2HD1 ILE 96 1HD1 ILE 96 -2.832 -3.496 -3.496 753 3HD1 ILE 96 3HD1 ILE 96 -1.100 -3.186 -3.186 754 H GLN 97 H GLN 97 -4.999 -1.071 -1.071 755 HA GLN 97 HA GLN 97 -5.389 0.732 0.732 756 1HB GLN 97 2HB GLN 97 -7.056 -0.127 -0.127 757 2HB GLN 97 1HB GLN 97 -6.797 1.599 1.599 758 1HG GLN 97 2HG GLN 97 -7.461 1.874 1.874 759 2HG GLN 97 1HG GLN 97 -7.952 0.180 0.180 760 1HE2 GLN 97 2HE2 GLN 97 -11.102 1.045 1.045 761 2HE2 GLN 97 1HE2 GLN 97 -10.078 0.106 0.106 762 H LEU 98 H LEU 98 -3.876 2.223 2.223 763 HA LEU 98 HA LEU 98 -2.565 3.376 3.376 764 1HB LEU 98 2HB LEU 98 -1.994 3.198 3.198 765 2HB LEU 98 1HB LEU 98 -1.481 4.676 4.676 766 HG LEU 98 HG LEU 98 0.046 3.556 3.556 767 1HD1 LEU 98 3HD1 LEU 98 -1.784 1.326 1.326 768 2HD1 LEU 98 2HD1 LEU 98 -0.100 0.835 0.835 769 3HD1 LEU 98 1HD1 LEU 98 -0.625 1.682 1.682 770 1HD2 LEU 98 2HD2 LEU 98 0.675 3.677 3.677 771 2HD2 LEU 98 1HD2 LEU 98 1.468 2.369 2.369 772 3HD2 LEU 98 3HD2 LEU 98 0.110 2.017 2.017 773 H GLN 99 H GLN 99 -2.313 5.800 5.800 774 HA GLN 99 HA GLN 99 -4.890 7.012 7.012 775 1HB GLN 99 2HB GLN 99 -3.051 7.290 7.290 776 2HB GLN 99 1HB GLN 99 -3.575 8.837 8.837 777 1HG GLN 99 2HG GLN 99 -5.673 6.807 6.807 778 2HG GLN 99 1HG GLN 99 -4.918 7.509 7.509 779 1HE2 GLN 99 2HE2 GLN 99 -7.098 9.897 9.897 780 2HE2 GLN 99 1HE2 GLN 99 -6.317 8.477 8.477 781 H GLY 100 H GLY 100 -5.051 8.835 8.835 782 1HA GLY 100 2HA GLY 100 -4.384 10.610 10.610 783 2HA GLY 100 1HA GLY 100 -2.741 10.379 10.379 784 H ASP 101 H ASP 101 -2.398 10.912 10.912 785 HA ASP 101 HA ASP 101 -2.877 8.668 8.668 786 1HB ASP 101 2HB ASP 101 -1.895 10.139 10.139 787 2HB ASP 101 1HB ASP 101 -3.262 10.883 10.883 788 H GLN 102 H GLN 102 -1.546 7.113 7.113 789 HA GLN 102 HA GLN 102 1.337 7.629 7.629 790 1HB GLN 102 2HB GLN 102 -0.404 5.767 5.767 791 2HB GLN 102 1HB GLN 102 1.249 5.278 5.278 792 1HG GLN 102 2HG GLN 102 0.630 6.541 6.541 793 2HG GLN 102 1HG GLN 102 2.148 6.865 6.865 794 1HE2 GLN 102 2HE2 GLN 102 -0.857 9.633 9.633 795 2HE2 GLN 102 1HE2 GLN 102 -1.222 7.944 7.944 796 H ARG 103 H ARG 103 -0.926 6.534 6.534 797 HA ARG 103 HA ARG 103 -0.254 4.035 4.035 798 1HB ARG 103 2HB ARG 103 -0.927 4.842 4.842 799 2HB ARG 103 1HB ARG 103 -2.089 5.170 5.170 800 1HG ARG 103 2HG ARG 103 -2.113 7.268 7.268 801 2HG ARG 103 1HG ARG 103 -0.494 7.429 7.429 802 1HD ARG 103 2HD ARG 103 0.276 7.828 7.828 803 2HD ARG 103 1HD ARG 103 -0.167 6.183 6.183 804 HE ARG 103 HE ARG 103 -2.486 7.534 7.534 805 1HH1 ARG 103 2HH1 ARG 103 0.749 8.100 8.100 806 2HH1 ARG 103 1HH1 ARG 103 0.219 8.902 8.902 807 1HH2 ARG 103 1HH2 ARG 103 -3.187 8.588 8.588 808 2HH2 ARG 103 2HH2 ARG 103 -2.016 9.179 9.179 809 H LYS 104 H LYS 104 1.581 6.969 6.969 810 HA LYS 104 HA LYS 104 3.454 5.761 5.761 811 1HB LYS 104 2HB LYS 104 2.582 8.337 8.337 812 2HB LYS 104 1HB LYS 104 4.140 8.375 8.375 813 1HG LYS 104 2HG LYS 104 5.063 7.285 7.285 814 2HG LYS 104 1HG LYS 104 3.537 7.763 7.763 815 1HD LYS 104 2HD LYS 104 5.025 9.821 9.821 816 2HD LYS 104 1HD LYS 104 5.682 9.333 9.333 817 1HE LYS 104 2HE LYS 104 2.908 10.387 10.387 818 2HE LYS 104 1HE LYS 104 4.220 11.252 11.252 819 1HZ LYS 104 1HZ LYS 104 3.875 8.843 8.843 820 2HZ LYS 104 3HZ LYS 104 2.331 9.501 9.501 821 3HZ LYS 104 2HZ LYS 104 3.532 10.403 10.403 822 H ASN 105 H ASN 105 3.138 6.480 6.480 823 HA ASN 105 HA ASN 105 5.964 6.073 6.073 824 1HB ASN 105 2HB ASN 105 3.568 6.657 6.657 825 2HB ASN 105 1HB ASN 105 5.138 6.252 6.252 826 1HD2 ASN 105 2HD2 ASN 105 4.358 9.954 9.954 827 2HD2 ASN 105 1HD2 ASN 105 3.180 8.692 8.692 828 H ILE 106 H ILE 106 2.959 4.280 4.280 829 HA ILE 106 HA ILE 106 3.890 2.181 2.181 830 HB ILE 106 HB ILE 106 1.501 2.605 2.605 831 1HG1 ILE 106 2HG1 ILE 106 0.828 0.248 0.248 832 2HG1 ILE 106 1HG1 ILE 106 2.425 -0.162 -0.162 833 1HG2 ILE 106 2HG2 ILE 106 1.743 3.082 3.082 834 2HG2 ILE 106 1HG2 ILE 106 1.937 1.350 1.350 835 3HG2 ILE 106 3HG2 ILE 106 0.427 1.975 1.975 836 1HD1 ILE 106 1HD1 ILE 106 2.392 1.243 1.243 837 2HD1 ILE 106 3HD1 ILE 106 1.704 -0.381 -0.381 838 3HD1 ILE 106 2HD1 ILE 106 3.364 -0.125 -0.125 839 H CYS 107 H CYS 107 3.635 2.432 2.432 840 HA CYS 107 HA CYS 107 4.724 -0.082 -0.082 841 1HB CYS 107 2HB CYS 107 5.423 1.036 1.036 842 2HB CYS 107 1HB CYS 107 3.712 1.153 1.153 843 HG CYS 107 HG CYS 107 4.546 3.484 3.484 844 H GLN 108 H GLN 108 6.145 2.994 2.994 845 HA GLN 108 HA GLN 108 8.862 2.251 2.251 846 1HB GLN 108 2HB GLN 108 8.615 4.537 4.537 847 2HB GLN 108 1HB GLN 108 7.408 4.569 4.569 848 1HG GLN 108 2HG GLN 108 9.031 5.497 5.497 849 2HG GLN 108 1HG GLN 108 9.616 3.848 3.848 850 1HE2 GLN 108 2HE2 GLN 108 12.465 4.264 4.264 851 2HE2 GLN 108 1HE2 GLN 108 11.389 3.151 3.151 852 H PHE 109 H PHE 109 6.634 2.100 2.100 853 HA PHE 109 HA PHE 109 8.563 1.511 1.511 854 1HB PHE 109 2HB PHE 109 6.416 2.465 2.465 855 2HB PHE 109 1HB PHE 109 5.565 1.115 1.115 856 HD1 PHE 109 HD2 PHE 109 8.136 1.779 1.779 857 HD2 PHE 109 HD1 PHE 109 4.816 -0.568 -0.568 858 HE1 PHE 109 HE2 PHE 109 8.156 0.602 0.602 859 HE2 PHE 109 HE1 PHE 109 4.829 -1.749 -1.749 860 HZ PHE 109 HZ PHE 109 6.501 -1.165 -1.165 861 H LEU 110 H LEU 110 6.348 -0.388 -0.388 862 HA LEU 110 HA LEU 110 6.840 -2.905 -2.905 863 1HB LEU 110 2HB LEU 110 5.795 -1.883 -1.883 864 2HB LEU 110 1HB LEU 110 6.308 -3.557 -3.557 865 HG LEU 110 HG LEU 110 4.651 -4.154 -4.154 866 1HD1 LEU 110 1HD1 LEU 110 4.310 -1.209 -1.209 867 2HD1 LEU 110 3HD1 LEU 110 3.220 -2.454 -2.454 868 3HD1 LEU 110 2HD1 LEU 110 4.910 -2.435 -2.435 869 1HD2 LEU 110 3HD2 LEU 110 3.908 -3.427 -3.427 870 2HD2 LEU 110 2HD2 LEU 110 2.678 -3.701 -3.701 871 3HD2 LEU 110 1HD2 LEU 110 3.171 -2.057 -2.057 872 H VAL 111 H VAL 111 8.673 -0.978 -0.978 873 HA VAL 111 HA VAL 111 10.466 -3.193 -3.193 874 HB VAL 111 HB VAL 111 10.586 -0.323 -0.323 875 1HG1 VAL 111 3HG1 VAL 111 12.724 -1.620 -1.620 876 2HG1 VAL 111 2HG1 VAL 111 11.936 -2.755 -2.755 877 3HG1 VAL 111 1HG1 VAL 111 12.155 -1.071 -1.071 878 1HG2 VAL 111 3HG2 VAL 111 8.602 -2.017 -2.017 879 2HG2 VAL 111 2HG2 VAL 111 9.237 -0.819 -0.819 880 3HG2 VAL 111 1HG2 VAL 111 9.785 -2.493 -2.493 881 H GLU 112 H GLU 112 10.328 -0.303 -0.303 882 HA GLU 112 HA GLU 112 13.117 -0.103 -0.103 883 1HB GLU 112 2HB GLU 112 10.647 1.026 1.026 884 2HB GLU 112 1HB GLU 112 12.217 1.235 1.235 885 1HG GLU 112 2HG GLU 112 12.272 1.916 1.916 886 2HG GLU 112 1HG GLU 112 11.082 2.860 2.860 887 H ILE 113 H ILE 113 10.403 -1.640 -1.640 888 HA ILE 113 HA ILE 113 12.143 -2.641 -2.641 889 HB ILE 113 HB ILE 113 10.192 -3.407 -3.407 890 1HG1 ILE 113 2HG1 ILE 113 8.738 -2.967 -2.967 891 2HG1 ILE 113 1HG1 ILE 113 9.059 -4.513 -4.513 892 1HG2 ILE 113 2HG2 ILE 113 10.600 -0.830 -0.830 893 2HG2 ILE 113 1HG2 ILE 113 9.026 -0.973 -0.973 894 3HG2 ILE 113 3HG2 ILE 113 9.208 -1.406 -1.406 895 1HD1 ILE 113 1HD1 ILE 113 7.669 -2.923 -2.923 896 2HD1 ILE 113 3HD1 ILE 113 6.835 -2.775 -2.775 897 3HD1 ILE 113 2HD1 ILE 113 7.110 -4.369 -4.369 898 H GLY 114 H GLY 114 10.677 -3.721 -3.721 899 1HA GLY 114 2HA GLY 114 11.446 -5.628 -5.628 900 2HA GLY 114 1HA GLY 114 11.988 -6.321 -6.321 901 H LEU 115 H LEU 115 8.848 -4.864 -4.864 902 HA LEU 115 HA LEU 115 7.555 -7.284 -7.284 903 1HB LEU 115 2HB LEU 115 6.989 -4.612 -4.612 904 2HB LEU 115 1HB LEU 115 5.861 -5.116 -5.116 905 HG LEU 115 HG LEU 115 4.809 -6.677 -6.677 906 1HD1 LEU 115 1HD1 LEU 115 7.258 -6.303 -6.303 907 2HD1 LEU 115 3HD1 LEU 115 5.747 -6.587 -6.587 908 3HD1 LEU 115 2HD1 LEU 115 6.320 -7.761 -7.761 909 1HD2 LEU 115 1HD2 LEU 115 4.692 -3.997 -3.997 910 2HD2 LEU 115 3HD2 LEU 115 3.666 -5.163 -5.163 911 3HD2 LEU 115 2HD2 LEU 115 5.116 -4.538 -4.538 912 H ALA 116 H ALA 116 6.732 -5.178 -5.178 913 HA ALA 116 HA ALA 116 5.817 -7.519 -7.519 914 1HB ALA 116 1HB ALA 116 4.540 -5.296 -5.296 915 2HB ALA 116 3HB ALA 116 5.683 -4.699 -4.699 916 3HB ALA 116 2HB ALA 116 4.637 -6.067 -6.067 917 H LYS 117 H LYS 117 6.255 -7.109 -7.109 918 HA LYS 117 HA LYS 117 9.180 -6.864 -6.864 919 1HB LYS 117 2HB LYS 117 7.477 -8.993 -8.993 920 2HB LYS 117 1HB LYS 117 7.982 -8.259 -8.259 921 1HG LYS 117 2HG LYS 117 9.462 -10.083 -10.083 922 2HG LYS 117 1HG LYS 117 10.303 -8.535 -8.535 923 1HD LYS 117 2HD LYS 117 9.187 -9.032 -9.032 924 2HD LYS 117 1HD LYS 117 10.349 -10.265 -10.265 925 1HE LYS 117 2HE LYS 117 11.688 -8.066 -8.066 926 2HE LYS 117 1HE LYS 117 10.750 -7.394 -7.394 927 1HZ LYS 117 3HZ LYS 117 12.056 -9.933 -9.933 928 2HZ LYS 117 2HZ LYS 117 13.091 -8.613 -8.613 929 3HZ LYS 117 1HZ LYS 117 11.902 -8.567 -8.567 930 H ASP 118 H ASP 118 10.022 -5.937 -5.937 931 HA ASP 118 HA ASP 118 8.723 -3.592 -3.592 932 1HB ASP 118 2HB ASP 118 10.495 -3.294 -3.294 933 2HB ASP 118 1HB ASP 118 11.191 -4.017 -4.017 934 H ASP 119 H ASP 119 8.612 -6.830 -6.830 935 HA ASP 119 HA ASP 119 7.328 -6.094 -6.094 936 1HB ASP 119 2HB ASP 119 8.205 -8.619 -8.619 937 2HB ASP 119 1HB ASP 119 6.866 -8.739 -8.739 938 H GLN 120 H GLN 120 6.399 -6.836 -6.836 939 HA GLN 120 HA GLN 120 3.623 -7.341 -7.341 940 1HB GLN 120 2HB GLN 120 4.849 -7.138 -7.138 941 2HB GLN 120 1HB GLN 120 3.281 -7.817 -7.817 942 1HG GLN 120 2HG GLN 120 4.588 -9.506 -9.506 943 2HG GLN 120 1HG GLN 120 6.006 -8.945 -8.945 944 1HE2 GLN 120 2HE2 GLN 120 4.259 -10.004 -10.004 945 2HE2 GLN 120 1HE2 GLN 120 4.655 -8.470 -8.470 946 H LEU 121 H LEU 121 5.522 -4.677 -4.677 947 HA LEU 121 HA LEU 121 4.081 -2.958 -2.958 948 1HB LEU 121 2HB LEU 121 5.876 -2.524 -2.524 949 2HB LEU 121 1HB LEU 121 5.049 -1.165 -1.165 950 HG LEU 121 HG LEU 121 6.856 -3.036 -3.036 951 1HD1 LEU 121 1HD1 LEU 121 7.478 -0.377 -0.377 952 2HD1 LEU 121 3HD1 LEU 121 8.516 -1.207 -1.207 953 3HD1 LEU 121 2HD1 LEU 121 8.184 -1.942 -1.942 954 1HD2 LEU 121 3HD2 LEU 121 5.147 -0.767 -0.767 955 2HD2 LEU 121 2HD2 LEU 121 5.847 -2.016 -2.016 956 3HD2 LEU 121 1HD2 LEU 121 6.805 -0.607 -0.607 957 H LYS 122 H LYS 122 1.872 -3.349 -3.349 958 HA LYS 122 HA LYS 122 0.793 -2.336 -2.336 959 1HB LYS 122 2HB LYS 122 -0.054 -4.459 -4.459 960 2HB LYS 122 1HB LYS 122 -1.343 -3.502 -3.502 961 1HG LYS 122 2HG LYS 122 0.795 -4.866 -4.866 962 2HG LYS 122 1HG LYS 122 -0.757 -5.610 -5.610 963 1HD LYS 122 2HD LYS 122 -1.907 -4.285 -4.285 964 2HD LYS 122 1HD LYS 122 -0.847 -2.899 -2.899 965 1HE LYS 122 2HE LYS 122 0.886 -4.000 -4.000 966 2HE LYS 122 1HE LYS 122 -0.219 -5.341 -5.341 967 1HZ LYS 122 1HZ LYS 122 -0.783 -2.525 -2.525 968 2HZ LYS 122 3HZ LYS 122 -0.139 -3.679 -3.679 969 3HZ LYS 122 2HZ LYS 122 -1.689 -3.892 -3.892 970 H VAL 123 H VAL 123 1.096 -0.140 -0.140 971 HA VAL 123 HA VAL 123 -0.541 0.689 0.689 972 HB VAL 123 HB VAL 123 1.753 1.588 1.588 973 1HG1 VAL 123 1HG1 VAL 123 1.169 1.850 1.850 974 2HG1 VAL 123 3HG1 VAL 123 0.996 3.511 3.511 975 3HG1 VAL 123 2HG1 VAL 123 2.513 2.647 2.647 976 1HG2 VAL 123 2HG2 VAL 123 -0.030 2.798 2.798 977 2HG2 VAL 123 1HG2 VAL 123 1.205 3.862 3.862 978 3HG2 VAL 123 3HG2 VAL 123 -0.364 3.723 3.723 979 H HIS 124 H HIS 124 -2.508 1.518 1.518 980 HA HIS 124 HA HIS 124 -3.292 2.819 2.819 981 1HB HIS 124 2HB HIS 124 -5.138 0.926 0.926 982 2HB HIS 124 1HB HIS 124 -5.357 1.643 1.643 983 HD1 HIS 124 HD1 HIS 124 -4.599 0.282 0.282 984 HD2 HIS 124 HD2 HIS 124 -2.983 -1.055 -1.055 985 HE1 HIS 124 HE1 HIS 124 -3.386 -1.847 -1.847 986 HE2 HIS 124 HE2 HIS 124 -2.540 -2.706 -2.706 987 H GLY 125 H GLY 125 -2.489 4.115 4.115 988 1HA GLY 125 2HA GLY 125 -4.489 4.746 4.746 989 2HA GLY 125 1HA GLY 125 -3.144 5.795 5.795 990 H PHE 126 HN PHE 126 -6.477 4.974 4.974 991 HA PHE 126 HA PHE 126 -8.184 6.179 6.179 992 1HB PHE 126 2HB PHE 126 -6.561 8.030 8.030 993 2HB PHE 126 1HB PHE 126 -6.935 8.775 8.775 994 HD1 PHE 126 HD2 PHE 126 -9.685 7.572 7.572 995 HD2 PHE 126 HD1 PHE 126 -7.785 9.394 9.394 996 HE1 PHE 126 HE2 PHE 126 -11.885 8.245 8.245 997 HE2 PHE 126 HE1 PHE 126 -9.985 10.071 10.071 998 HZ PHE 126 HZ PHE 126 -12.035 9.497 9.497 Start of MODEL 24 1 1H MET 1 1H MET 1 6.363 7.515 7.515 2 2H MET 1 3H MET 1 5.361 8.884 8.884 3 3H MET 1 2H MET 1 6.370 8.801 8.801 4 HA MET 1 HA MET 1 7.438 10.228 10.228 5 1HB MET 1 2HB MET 1 5.935 9.068 9.068 6 2HB MET 1 1HB MET 1 7.501 8.357 8.357 7 1HG MET 1 2HG MET 1 8.376 10.775 10.775 8 2HG MET 1 1HG MET 1 6.679 11.231 11.231 9 1HE MET 1 1HE MET 1 5.556 8.928 8.928 10 2HE MET 1 3HE MET 1 5.859 9.088 9.088 11 3HE MET 1 2HE MET 1 5.158 10.432 10.432 12 H ARG 2 H ARG 2 9.660 10.251 10.251 13 HA ARG 2 HA ARG 2 11.071 8.127 8.127 14 1HB ARG 2 2HB ARG 2 11.746 10.753 10.753 15 2HB ARG 2 1HB ARG 2 13.051 9.576 9.576 16 1HG ARG 2 2HG ARG 2 11.433 10.224 10.224 17 2HG ARG 2 1HG ARG 2 12.853 11.162 11.162 18 1HD ARG 2 2HD ARG 2 13.085 8.197 8.197 19 2HD ARG 2 1HD ARG 2 13.039 9.110 9.110 20 HE ARG 2 HE ARG 2 15.212 8.947 8.947 21 1HH1 ARG 2 2HH1 ARG 2 13.655 11.042 11.042 22 2HH1 ARG 2 1HH1 ARG 2 15.094 11.944 11.944 23 1HH2 ARG 2 1HH2 ARG 2 17.106 10.131 10.131 24 2HH2 ARG 2 2HH2 ARG 2 17.054 11.426 11.426 25 H GLY 3 H GLY 3 10.587 9.073 9.073 26 1HA GLY 3 2HA GLY 3 10.597 6.949 6.949 27 2HA GLY 3 1HA GLY 3 12.248 6.792 6.792 28 H SER 4 H SER 4 11.156 7.139 7.139 29 HA SER 4 HA SER 4 12.259 9.749 9.749 30 1HB SER 4 2HB SER 4 10.008 8.956 8.956 31 2HB SER 4 1HB SER 4 10.897 7.771 7.771 32 HG SER 4 HG SER 4 12.051 9.579 9.579 33 H HIS 5 H HIS 5 14.105 7.853 7.853 34 HA HIS 5 HA HIS 5 16.162 7.047 7.047 35 1HB HIS 5 2HB HIS 5 15.720 9.095 9.095 36 2HB HIS 5 1HB HIS 5 16.252 7.733 7.733 37 HD1 HIS 5 HD1 HIS 5 18.267 9.688 9.688 38 HD2 HIS 5 HD2 HIS 5 18.075 7.389 7.389 39 HE1 HIS 5 HE1 HIS 5 20.545 9.862 9.862 40 HE2 HIS 5 HE2 HIS 5 20.431 8.393 8.393 41 H HIS 6 H HIS 6 14.581 6.742 6.742 42 HA HIS 6 HA HIS 6 13.955 4.000 4.000 43 1HB HIS 6 2HB HIS 6 16.628 4.281 4.281 44 2HB HIS 6 1HB HIS 6 16.161 4.231 4.231 45 HD1 HIS 6 HD1 HIS 6 17.741 1.991 1.991 46 HD2 HIS 6 HD2 HIS 6 13.775 1.893 1.893 47 HE1 HIS 6 HE1 HIS 6 17.112 -0.443 -0.443 48 HE2 HIS 6 HE2 HIS 6 14.682 -0.473 -0.473 49 H HIS 7 H HIS 7 14.958 6.526 6.526 50 HA HIS 7 HA HIS 7 13.513 5.547 5.547 51 1HB HIS 7 2HB HIS 7 14.741 8.175 8.175 52 2HB HIS 7 1HB HIS 7 13.653 8.101 8.101 53 HD1 HIS 7 HD1 HIS 7 14.437 6.667 6.667 54 HD2 HIS 7 HD2 HIS 7 17.252 7.064 7.064 55 HE1 HIS 7 HE1 HIS 7 16.617 5.921 5.921 56 HE2 HIS 7 HE2 HIS 7 18.322 6.258 6.258 57 H HIS 8 H HIS 8 11.704 6.845 6.845 58 HA HIS 8 HA HIS 8 9.850 8.010 8.010 59 1HB HIS 8 2HB HIS 8 9.576 5.353 5.353 60 2HB HIS 8 1HB HIS 8 8.218 6.372 6.372 61 HD1 HIS 8 HD1 HIS 8 9.798 4.733 4.733 62 HD2 HIS 8 HD2 HIS 8 6.540 7.172 7.172 63 HE1 HIS 8 HE1 HIS 8 8.375 4.694 4.694 64 HE2 HIS 8 HE2 HIS 8 6.455 6.247 6.247 65 H HIS 9 H HIS 9 9.817 6.862 6.862 66 HA HIS 9 HA HIS 9 9.341 9.613 9.613 67 1HB HIS 9 2HB HIS 9 7.432 7.383 7.383 68 2HB HIS 9 1HB HIS 9 7.682 8.227 8.227 69 HD1 HIS 9 HD1 HIS 9 7.482 9.694 9.694 70 HD2 HIS 9 HD2 HIS 9 5.505 9.841 9.841 71 HE1 HIS 9 HE1 HIS 9 5.717 11.465 11.465 72 HE2 HIS 9 HE2 HIS 9 4.477 11.475 11.475 73 H HIS 10 H HIS 10 9.146 9.450 9.450 74 HA HIS 10 HA HIS 10 11.712 8.807 8.807 75 1HB HIS 10 2HB HIS 10 9.149 9.258 9.258 76 2HB HIS 10 1HB HIS 10 10.733 9.122 9.122 77 HD1 HIS 10 HD1 HIS 10 12.196 10.855 10.855 78 HD2 HIS 10 HD2 HIS 10 8.814 11.933 11.933 79 HE1 HIS 10 HE1 HIS 10 12.130 13.367 13.367 80 HE2 HIS 10 HE2 HIS 10 10.026 13.994 13.994 81 H THR 11 H THR 11 8.648 7.193 7.193 82 HA THR 11 HA THR 11 10.202 4.763 4.763 83 HB THR 11 HB THR 11 7.375 5.069 5.069 84 HG1 THR 11 HG1 THR 11 9.578 6.322 6.322 85 1HG2 THR 11 2HG2 THR 11 9.287 3.179 3.179 86 2HG2 THR 11 1HG2 THR 11 9.401 4.196 4.196 87 3HG2 THR 11 3HG2 THR 11 7.859 3.463 3.463 88 H ASP 12 H ASP 12 10.239 3.605 3.605 89 HA ASP 12 HA ASP 12 8.241 3.534 3.534 90 1HB ASP 12 2HB ASP 12 10.214 1.327 1.327 91 2HB ASP 12 1HB ASP 12 9.416 1.642 1.642 92 HA PRO 13 HA PRO 13 5.057 1.313 1.313 93 1HB PRO 13 2HB PRO 13 4.120 0.885 0.885 94 2HB PRO 13 1HB PRO 13 3.219 1.442 1.442 95 1HG PRO 13 2HG PRO 13 3.970 3.161 3.161 96 2HG PRO 13 1HG PRO 13 4.031 3.610 3.610 97 1HD PRO 13 2HD PRO 13 6.253 2.877 2.877 98 2HD PRO 13 1HD PRO 13 6.231 4.047 4.047 99 H MET 14 H MET 14 6.887 0.113 0.113 100 HA MET 14 HA MET 14 6.066 -2.621 -2.621 101 1HB MET 14 2HB MET 14 8.009 -1.192 -1.192 102 2HB MET 14 1HB MET 14 8.138 -2.936 -2.936 103 1HG MET 14 2HG MET 14 6.433 -3.288 -3.288 104 2HG MET 14 1HG MET 14 5.413 -2.140 -2.140 105 1HE MET 14 1HE MET 14 4.291 -1.941 -1.941 106 2HE MET 14 3HE MET 14 4.325 -0.188 -0.188 107 3HE MET 14 2HE MET 14 4.774 -0.914 -0.914 108 H SER 15 H SER 15 8.207 -0.615 -0.615 109 HA SER 15 HA SER 15 10.347 -2.379 -2.379 110 1HB SER 15 2HB SER 15 11.038 -0.829 -0.829 111 2HB SER 15 1HB SER 15 10.235 0.149 0.149 112 HG SER 15 HG SER 15 9.609 -0.170 -0.170 113 H ALA 16 H ALA 16 7.304 -1.748 -1.748 114 HA ALA 16 HA ALA 16 7.783 -4.191 -4.191 115 1HB ALA 16 3HB ALA 16 6.800 -1.515 -1.515 116 2HB ALA 16 2HB ALA 16 6.152 -2.944 -2.944 117 3HB ALA 16 1HB ALA 16 7.888 -2.633 -2.633 118 H ILE 17 H ILE 17 6.674 -5.212 -5.212 119 HA ILE 17 HA ILE 17 3.816 -4.683 -4.683 120 HB ILE 17 HB ILE 17 5.442 -6.745 -6.745 121 1HG1 ILE 17 2HG1 ILE 17 4.553 -4.272 -4.272 122 2HG1 ILE 17 1HG1 ILE 17 5.861 -4.078 -4.078 123 1HG2 ILE 17 2HG2 ILE 17 2.717 -5.566 -5.566 124 2HG2 ILE 17 1HG2 ILE 17 3.573 -6.663 -6.663 125 3HG2 ILE 17 3HG2 ILE 17 3.071 -7.215 -7.215 126 1HD1 ILE 17 1HD1 ILE 17 5.885 -6.030 -6.030 127 2HD1 ILE 17 3HD1 ILE 17 6.636 -4.434 -4.434 128 3HD1 ILE 17 2HD1 ILE 17 7.215 -5.663 -5.663 129 H GLN 18 H GLN 18 2.220 -6.272 -6.272 130 HA GLN 18 HA GLN 18 3.001 -8.262 -8.262 131 1HB GLN 18 2HB GLN 18 1.217 -6.572 -6.572 132 2HB GLN 18 1HB GLN 18 0.221 -7.327 -7.327 133 1HG GLN 18 2HG GLN 18 -0.422 -8.936 -8.936 134 2HG GLN 18 1HG GLN 18 1.236 -9.278 -9.278 135 1HE2 GLN 18 2HE2 GLN 18 -1.239 -7.161 -7.161 136 2HE2 GLN 18 1HE2 GLN 18 -1.715 -7.762 -7.762 137 H ASN 19 H ASN 19 3.664 -10.027 -10.027 138 HA ASN 19 HA ASN 19 1.597 -11.504 -11.504 139 1HB ASN 19 2HB ASN 19 3.163 -10.007 -10.007 140 2HB ASN 19 1HB ASN 19 4.210 -11.415 -11.415 141 1HD2 ASN 19 2HD2 ASN 19 1.813 -11.670 -11.670 142 2HD2 ASN 19 1HD2 ASN 19 2.824 -10.388 -10.388 143 H LEU 20 H LEU 20 1.882 -12.706 -12.706 144 HA LEU 20 HA LEU 20 3.541 -14.975 -14.975 145 1HB LEU 20 2HB LEU 20 5.106 -13.126 -13.126 146 2HB LEU 20 1HB LEU 20 4.280 -13.377 -13.377 147 HG LEU 20 HG LEU 20 6.397 -14.618 -14.618 148 1HD1 LEU 20 2HD1 LEU 20 4.428 -15.437 -15.437 149 2HD1 LEU 20 1HD1 LEU 20 4.062 -16.515 -16.515 150 3HD1 LEU 20 3HD1 LEU 20 5.583 -16.684 -16.684 151 1HD2 LEU 20 2HD2 LEU 20 5.975 -15.008 -15.008 152 2HD2 LEU 20 1HD2 LEU 20 6.909 -16.160 -16.160 153 3HD2 LEU 20 3HD2 LEU 20 5.219 -16.493 -16.493 154 H HIS 21 H HIS 21 1.390 -15.823 -15.823 155 HA HIS 21 HA HIS 21 0.732 -16.374 -16.374 156 1HB HIS 21 2HB HIS 21 -0.673 -14.442 -14.442 157 2HB HIS 21 1HB HIS 21 -1.326 -15.377 -15.377 158 HD1 HIS 21 HD1 HIS 21 -3.420 -16.606 -16.606 159 HD2 HIS 21 HD2 HIS 21 -1.301 -15.722 -15.722 160 HE1 HIS 21 HE1 HIS 21 -4.885 -17.368 -17.368 161 HE2 HIS 21 HE2 HIS 21 -3.545 -16.900 -16.900 162 H SER 22 H SER 22 1.810 -18.356 -18.356 163 HA SER 22 HA SER 22 -0.247 -20.105 -20.105 164 1HB SER 22 2HB SER 22 2.524 -19.601 -19.601 165 2HB SER 22 1HB SER 22 1.985 -21.280 -21.280 166 HG SER 22 HG SER 22 1.473 -20.276 -20.276 167 H PHE 23 H PHE 23 -0.309 -20.213 -20.213 168 HA PHE 23 HA PHE 23 1.372 -22.499 -22.499 169 1HB PHE 23 2HB PHE 23 0.839 -19.950 -19.950 170 2HB PHE 23 1HB PHE 23 0.716 -21.389 -21.389 171 HD1 PHE 23 HD1 PHE 23 2.681 -22.926 -22.926 172 HD2 PHE 23 HD2 PHE 23 2.926 -19.099 -19.099 173 HE1 PHE 23 HE1 PHE 23 5.130 -22.976 -22.976 174 HE2 PHE 23 HE2 PHE 23 5.375 -19.142 -19.142 175 HZ PHE 23 HZ PHE 23 6.480 -21.083 -21.083 176 H ASP 24 H ASP 24 0.369 -24.207 -24.207 177 HA ASP 24 HA ASP 24 -1.312 -25.619 -25.619 178 1HB ASP 24 2HB ASP 24 -1.543 -23.771 -23.771 179 2HB ASP 24 1HB ASP 24 -2.922 -23.212 -23.212 180 HA PRO 25 HA PRO 25 -3.401 -24.930 -24.930 181 1HB PRO 25 2HB PRO 25 -3.552 -27.884 -27.884 182 2HB PRO 25 1HB PRO 25 -3.050 -26.912 -26.912 183 1HG PRO 25 2HG PRO 25 -1.255 -28.217 -28.217 184 2HG PRO 25 1HG PRO 25 -0.905 -26.607 -26.607 185 1HD PRO 25 2HD PRO 25 -1.640 -27.402 -27.402 186 2HD PRO 25 1HD PRO 25 -0.501 -26.157 -26.157 187 H PHE 26 H PHE 26 -4.305 -26.592 -26.592 188 HA PHE 26 HA PHE 26 -7.138 -26.454 -26.454 189 1HB PHE 26 2HB PHE 26 -7.326 -28.104 -28.104 190 2HB PHE 26 1HB PHE 26 -6.854 -28.697 -28.697 191 HD1 PHE 26 HD2 PHE 26 -4.386 -28.998 -28.998 192 HD2 PHE 26 HD1 PHE 26 -5.929 -28.383 -28.383 193 HE1 PHE 26 HE2 PHE 26 -2.313 -29.916 -29.916 194 HE2 PHE 26 HE1 PHE 26 -3.859 -29.298 -29.298 195 HZ PHE 26 HZ PHE 26 -2.048 -30.067 -30.067 196 H ALA 27 H ALA 27 -6.010 -24.124 -24.124 197 HA ALA 27 HA ALA 27 -6.349 -23.754 -23.754 198 1HB ALA 27 2HB ALA 27 -4.717 -22.454 -22.454 199 2HB ALA 27 1HB ALA 27 -6.059 -21.665 -21.665 200 3HB ALA 27 3HB ALA 27 -5.836 -21.435 -21.435 201 H ASP 28 H ASP 28 -8.553 -24.571 -24.571 202 HA ASP 28 HA ASP 28 -10.659 -22.995 -22.995 203 1HB ASP 28 2HB ASP 28 -10.591 -25.582 -25.582 204 2HB ASP 28 1HB ASP 28 -11.217 -25.002 -25.002 205 H ALA 29 H ALA 29 -12.028 -21.592 -21.592 206 HA ALA 29 HA ALA 29 -11.108 -20.629 -20.629 207 1HB ALA 29 3HB ALA 29 -12.636 -19.371 -19.371 208 2HB ALA 29 2HB ALA 29 -12.696 -18.682 -18.682 209 3HB ALA 29 1HB ALA 29 -11.151 -18.830 -18.830 210 H SER 30 H SER 30 -12.092 -21.821 -21.821 211 HA SER 30 HA SER 30 -14.835 -21.356 -21.356 212 1HB SER 30 2HB SER 30 -14.884 -23.166 -23.166 213 2HB SER 30 1HB SER 30 -14.229 -24.248 -24.248 214 HG SER 30 HG SER 30 -16.352 -24.484 -24.484 215 H LYS 31 H LYS 31 -12.433 -23.938 -23.938 216 HA LYS 31 HA LYS 31 -12.193 -23.158 -23.158 217 1HB LYS 31 2HB LYS 31 -14.193 -24.765 -24.765 218 2HB LYS 31 1HB LYS 31 -12.986 -26.004 -26.004 219 1HG LYS 31 2HG LYS 31 -12.034 -24.845 -24.845 220 2HG LYS 31 1HG LYS 31 -13.781 -24.745 -24.745 221 1HD LYS 31 2HD LYS 31 -13.538 -27.279 -27.279 222 2HD LYS 31 1HD LYS 31 -12.007 -27.094 -27.094 223 1HE LYS 31 2HE LYS 31 -13.733 -26.025 -26.025 224 2HE LYS 31 1HE LYS 31 -14.757 -27.244 -27.244 225 1HZ LYS 31 1HZ LYS 31 -12.054 -28.003 -28.003 226 2HZ LYS 31 3HZ LYS 31 -13.260 -27.841 -27.841 227 3HZ LYS 31 2HZ LYS 31 -13.457 -28.944 -28.944 228 H GLY 32 H GLY 32 -10.104 -23.244 -23.244 229 1HA GLY 32 2HA GLY 32 -8.510 -25.531 -25.531 230 2HA GLY 32 1HA GLY 32 -8.020 -23.980 -23.980 231 H ASP 33 H ASP 33 -7.622 -22.229 -22.229 232 HA ASP 33 HA ASP 33 -6.485 -23.355 -23.355 233 1HB ASP 33 2HB ASP 33 -5.347 -21.084 -21.084 234 2HB ASP 33 1HB ASP 33 -4.660 -21.736 -21.736 235 H ASP 34 H ASP 34 -8.719 -22.748 -22.748 236 HA ASP 34 HA ASP 34 -8.905 -19.876 -19.876 237 1HB ASP 34 2HB ASP 34 -10.794 -21.436 -21.436 238 2HB ASP 34 1HB ASP 34 -11.248 -21.600 -21.600 239 H LEU 35 H LEU 35 -7.122 -21.324 -21.324 240 HA LEU 35 HA LEU 35 -8.520 -21.810 -21.810 241 1HB LEU 35 2HB LEU 35 -7.189 -23.687 -23.687 242 2HB LEU 35 1HB LEU 35 -5.774 -22.660 -22.660 243 HG LEU 35 HG LEU 35 -5.746 -22.367 -22.367 244 1HD1 LEU 35 3HD1 LEU 35 -8.161 -22.572 -22.572 245 2HD1 LEU 35 2HD1 LEU 35 -8.062 -24.296 -24.296 246 3HD1 LEU 35 1HD1 LEU 35 -7.231 -23.641 -23.641 247 1HD2 LEU 35 3HD2 LEU 35 -4.898 -24.520 -24.520 248 2HD2 LEU 35 2HD2 LEU 35 -4.619 -24.288 -24.288 249 3HD2 LEU 35 1HD2 LEU 35 -5.958 -25.297 -25.297 250 H LEU 36 H LEU 36 -8.715 -19.613 -19.613 251 HA LEU 36 HA LEU 36 -8.098 -17.696 -17.696 252 1HB LEU 36 2HB LEU 36 -5.502 -19.127 -19.127 253 2HB LEU 36 1HB LEU 36 -6.144 -17.738 -17.738 254 HG LEU 36 HG LEU 36 -7.433 -20.467 -20.467 255 1HD1 LEU 36 1HD1 LEU 36 -5.497 -19.178 -19.178 256 2HD1 LEU 36 3HD1 LEU 36 -6.679 -20.344 -20.344 257 3HD1 LEU 36 2HD1 LEU 36 -5.512 -20.821 -20.821 258 1HD2 LEU 36 3HD2 LEU 36 -8.069 -17.882 -17.882 259 2HD2 LEU 36 2HD2 LEU 36 -9.126 -18.907 -18.907 260 3HD2 LEU 36 1HD2 LEU 36 -8.617 -19.433 -19.433 261 HA PRO 37 HA PRO 37 -6.071 -15.058 -15.058 262 1HB PRO 37 2HB PRO 37 -4.704 -13.837 -13.837 263 2HB PRO 37 1HB PRO 37 -5.613 -13.058 -13.058 264 1HG PRO 37 2HG PRO 37 -6.697 -13.367 -13.367 265 2HG PRO 37 1HG PRO 37 -7.668 -13.587 -13.587 266 1HD PRO 37 2HD PRO 37 -6.559 -15.632 -15.632 267 2HD PRO 37 1HD PRO 37 -8.077 -15.644 -15.644 268 H ALA 38 H ALA 38 -4.492 -15.842 -15.842 269 HA ALA 38 HA ALA 38 -2.074 -16.930 -16.930 270 1HB ALA 38 1HB ALA 38 -3.401 -17.180 -17.180 271 2HB ALA 38 3HB ALA 38 -1.652 -17.392 -17.392 272 3HB ALA 38 2HB ALA 38 -2.702 -18.421 -18.421 273 H GLY 39 H GLY 39 -0.153 -15.931 -15.931 274 1HA GLY 39 2HA GLY 39 1.550 -14.514 -14.514 275 2HA GLY 39 1HA GLY 39 0.481 -13.905 -13.905 276 H THR 40 H THR 40 -0.509 -14.015 -14.015 277 HA THR 40 HA THR 40 -0.665 -11.096 -11.096 278 HB THR 40 HB THR 40 -1.870 -11.793 -11.793 279 HG1 THR 40 HG1 THR 40 -2.463 -13.800 -13.800 280 1HG2 THR 40 1HG2 THR 40 -3.073 -11.873 -11.873 281 2HG2 THR 40 3HG2 THR 40 -4.018 -11.953 -11.953 282 3HG2 THR 40 2HG2 THR 40 -3.047 -10.523 -10.523 283 H GLU 41 H GLU 41 0.946 -13.745 -13.745 284 HA GLU 41 HA GLU 41 2.678 -13.828 -13.828 285 1HB GLU 41 2HB GLU 41 3.037 -11.376 -11.376 286 2HB GLU 41 1HB GLU 41 3.603 -11.180 -11.180 287 1HG GLU 41 2HG GLU 41 5.008 -13.182 -13.182 288 2HG GLU 41 1HG GLU 41 4.477 -13.302 -13.302 289 H ASP 42 H ASP 42 -0.127 -12.670 -12.670 290 HA ASP 42 HA ASP 42 -1.196 -11.830 -11.830 291 1HB ASP 42 2HB ASP 42 -0.113 -14.045 -14.045 292 2HB ASP 42 1HB ASP 42 1.046 -13.038 -13.038 293 H TYR 43 H TYR 43 -0.181 -9.716 -9.716 294 HA TYR 43 HA TYR 43 1.900 -8.413 -8.413 295 1HB TYR 43 2HB TYR 43 -0.482 -7.167 -7.167 296 2HB TYR 43 1HB TYR 43 1.027 -6.354 -6.354 297 HD1 TYR 43 HD2 TYR 43 2.756 -8.859 -8.859 298 HD2 TYR 43 HD1 TYR 43 -0.318 -6.652 -6.652 299 HE1 TYR 43 HE2 TYR 43 3.678 -9.510 -9.510 300 HE2 TYR 43 HE1 TYR 43 0.597 -7.302 -7.302 301 HH TYR 43 HH TYR 43 2.044 -9.296 -9.296 302 H ILE 44 H ILE 44 1.393 -6.210 -6.210 303 HA ILE 44 HA ILE 44 -0.565 -6.780 -6.780 304 HB ILE 44 HB ILE 44 1.986 -5.178 -5.178 305 1HG1 ILE 44 2HG1 ILE 44 2.579 -7.481 -7.481 306 2HG1 ILE 44 1HG1 ILE 44 2.626 -7.033 -7.033 307 1HG2 ILE 44 2HG2 ILE 44 0.116 -4.383 -4.383 308 2HG2 ILE 44 1HG2 ILE 44 0.051 -5.983 -5.983 309 3HG2 ILE 44 3HG2 ILE 44 1.495 -4.986 -4.986 310 1HD1 ILE 44 2HD1 ILE 44 0.392 -8.030 -8.030 311 2HD1 ILE 44 1HD1 ILE 44 0.446 -8.562 -8.562 312 3HD1 ILE 44 3HD1 ILE 44 1.613 -9.191 -9.191 313 H HIS 45 H HIS 45 -2.319 -5.664 -5.664 314 HA HIS 45 HA HIS 45 -2.312 -3.215 -3.215 315 1HB HIS 45 2HB HIS 45 -4.257 -5.050 -5.050 316 2HB HIS 45 1HB HIS 45 -4.735 -3.398 -3.398 317 HD1 HIS 45 HD1 HIS 45 -3.642 -5.410 -5.410 318 HD2 HIS 45 HD2 HIS 45 -6.025 -2.161 -2.161 319 HE1 HIS 45 HE1 HIS 45 -4.800 -4.734 -4.734 320 HE2 HIS 45 HE2 HIS 45 -6.171 -2.713 -2.713 321 H ILE 46 H ILE 46 -2.603 -1.148 -1.148 322 HA ILE 46 HA ILE 46 -2.696 -0.470 -0.470 323 HB ILE 46 HB ILE 46 -0.543 0.293 0.293 324 1HG1 ILE 46 2HG1 ILE 46 0.640 0.324 0.324 325 2HG1 ILE 46 1HG1 ILE 46 -0.789 -0.554 -0.554 326 1HG2 ILE 46 1HG2 ILE 46 -1.843 2.109 2.109 327 2HG2 ILE 46 3HG2 ILE 46 -0.089 2.192 2.192 328 3HG2 ILE 46 2HG2 ILE 46 -1.148 2.474 2.474 329 1HD1 ILE 46 1HD1 ILE 46 0.279 -1.693 -1.693 330 2HD1 ILE 46 3HD1 ILE 46 1.517 -1.588 -1.588 331 3HD1 ILE 46 2HD1 ILE 46 0.000 -2.436 -2.436 332 H ARG 47 H ARG 47 -4.658 0.455 0.455 333 HA ARG 47 HA ARG 47 -5.188 2.587 2.587 334 1HB ARG 47 2HB ARG 47 -7.175 0.680 0.680 335 2HB ARG 47 1HB ARG 47 -7.589 2.025 2.025 336 1HG ARG 47 2HG ARG 47 -5.626 0.418 0.418 337 2HG ARG 47 1HG ARG 47 -6.927 -0.621 -0.621 338 1HD ARG 47 2HD ARG 47 -7.526 1.918 1.918 339 2HD ARG 47 1HD ARG 47 -7.133 0.439 0.439 340 HE ARG 47 HE ARG 47 -9.543 0.989 0.989 341 1HH1 ARG 47 2HH1 ARG 47 -7.601 -1.392 -1.392 342 2HH1 ARG 47 1HH1 ARG 47 -8.910 -2.509 -2.509 343 1HH2 ARG 47 1HH2 ARG 47 -11.260 -0.484 -0.484 344 2HH2 ARG 47 2HH2 ARG 47 -10.985 -1.995 -1.995 345 H ILE 48 H ILE 48 -5.932 4.488 4.488 346 HA ILE 48 HA ILE 48 -5.931 4.943 4.943 347 HB ILE 48 HB ILE 48 -5.779 6.766 6.766 348 1HG1 ILE 48 2HG1 ILE 48 -4.027 6.358 6.358 349 2HG1 ILE 48 1HG1 ILE 48 -3.689 5.801 5.801 350 1HG2 ILE 48 2HG2 ILE 48 -6.352 7.569 7.569 351 2HG2 ILE 48 1HG2 ILE 48 -5.758 8.679 8.679 352 3HG2 ILE 48 3HG2 ILE 48 -7.328 7.901 7.901 353 1HD1 ILE 48 2HD1 ILE 48 -4.051 8.706 8.706 354 2HD1 ILE 48 1HD1 ILE 48 -2.493 7.892 7.892 355 3HD1 ILE 48 3HD1 ILE 48 -3.303 7.977 7.977 356 H GLN 49 H GLN 49 -7.616 6.147 6.147 357 HA GLN 49 HA GLN 49 -10.168 6.303 6.303 358 1HB GLN 49 2HB GLN 49 -11.380 5.221 5.221 359 2HB GLN 49 1HB GLN 49 -10.148 4.134 4.134 360 1HG GLN 49 2HG GLN 49 -8.873 5.461 5.461 361 2HG GLN 49 1HG GLN 49 -10.509 5.201 5.201 362 1HE2 GLN 49 2HE2 GLN 49 -10.104 1.812 1.812 363 2HE2 GLN 49 1HE2 GLN 49 -11.105 3.217 3.217 364 H GLN 50 H GLN 50 -10.061 8.525 8.525 365 HA GLN 50 HA GLN 50 -9.718 9.905 9.905 366 1HB GLN 50 2HB GLN 50 -8.913 10.511 10.511 367 2HB GLN 50 1HB GLN 50 -10.336 11.527 11.527 368 1HG GLN 50 2HG GLN 50 -9.405 12.604 12.604 369 2HG GLN 50 1HG GLN 50 -8.059 11.465 11.465 370 1HE2 GLN 50 2HE2 GLN 50 -6.242 13.964 13.964 371 2HE2 GLN 50 1HE2 GLN 50 -6.528 13.084 13.084 372 H ARG 51 H ARG 51 -11.398 10.307 10.307 373 HA ARG 51 HA ARG 51 -14.082 10.370 10.370 374 1HB ARG 51 2HB ARG 51 -13.305 10.580 10.580 375 2HB ARG 51 1HB ARG 51 -14.889 10.192 10.192 376 1HG ARG 51 2HG ARG 51 -14.389 8.029 8.029 377 2HG ARG 51 1HG ARG 51 -12.765 8.372 8.372 378 1HD ARG 51 2HD ARG 51 -12.141 7.470 7.470 379 2HD ARG 51 1HD ARG 51 -12.479 9.091 9.091 380 HE ARG 51 HE ARG 51 -14.290 8.258 8.258 381 1HH1 ARG 51 2HH1 ARG 51 -13.224 5.896 5.896 382 2HH1 ARG 51 1HH1 ARG 51 -14.268 4.650 4.650 383 1HH2 ARG 51 1HH2 ARG 51 -15.664 6.620 6.620 384 2HH2 ARG 51 2HH2 ARG 51 -15.653 5.061 5.061 385 H ASN 52 H ASN 52 -15.130 12.208 12.208 386 HA ASN 52 HA ASN 52 -15.703 14.409 14.409 387 1HB ASN 52 2HB ASN 52 -15.361 13.897 13.897 388 2HB ASN 52 1HB ASN 52 -14.164 15.168 15.168 389 1HD2 ASN 52 2HD2 ASN 52 -16.559 17.612 17.612 390 2HD2 ASN 52 1HD2 ASN 52 -14.964 17.026 17.026 391 H GLY 53 H GLY 53 -13.054 13.325 13.325 392 1HA GLY 53 2HA GLY 53 -11.266 14.165 14.165 393 2HA GLY 53 1HA GLY 53 -12.043 15.737 15.737 394 H ARG 54 H ARG 54 -11.025 13.774 13.774 395 HA ARG 54 HA ARG 54 -8.646 15.369 15.369 396 1HB ARG 54 2HB ARG 54 -10.780 15.423 15.423 397 2HB ARG 54 1HB ARG 54 -9.272 16.326 16.326 398 1HG ARG 54 2HG ARG 54 -10.129 17.537 17.537 399 2HG ARG 54 1HG ARG 54 -11.679 16.728 16.728 400 1HD ARG 54 2HD ARG 54 -11.961 17.768 17.768 401 2HD ARG 54 1HD ARG 54 -10.314 18.399 18.399 402 HE ARG 54 HE ARG 54 -12.611 19.586 19.586 403 1HH1 ARG 54 2HH1 ARG 54 -9.177 19.154 19.154 404 2HH1 ARG 54 1HH1 ARG 54 -8.991 20.605 20.605 405 1HH2 ARG 54 1HH2 ARG 54 -12.367 21.494 21.494 406 2HH2 ARG 54 2HH2 ARG 54 -10.801 21.934 21.934 407 H LYS 55 H LYS 55 -10.832 13.386 13.386 408 HA LYS 55 HA LYS 55 -8.788 12.104 12.104 409 1HB LYS 55 2HB LYS 55 -11.674 11.485 11.485 410 2HB LYS 55 1HB LYS 55 -10.666 10.304 10.304 411 1HG LYS 55 2HG LYS 55 -11.225 13.126 13.126 412 2HG LYS 55 1HG LYS 55 -11.836 11.642 11.642 413 1HD LYS 55 2HD LYS 55 -10.077 11.830 11.830 414 2HD LYS 55 1HD LYS 55 -9.138 11.213 11.213 415 1HE LYS 55 2HE LYS 55 -9.126 13.783 13.783 416 2HE LYS 55 1HE LYS 55 -9.348 13.973 13.973 417 1HZ LYS 55 2HZ LYS 55 -7.199 12.288 12.288 418 2HZ LYS 55 1HZ LYS 55 -6.985 13.937 13.937 419 3HZ LYS 55 3HZ LYS 55 -7.335 12.879 12.879 420 H THR 56 H THR 56 -7.254 11.572 11.572 421 HA THR 56 HA THR 56 -7.939 9.548 9.548 422 HB THR 56 HB THR 56 -5.094 10.119 10.119 423 HG1 THR 56 HG1 THR 56 -5.348 12.170 12.170 424 1HG2 THR 56 3HG2 THR 56 -6.870 9.554 9.554 425 2HG2 THR 56 2HG2 THR 56 -6.060 11.087 11.087 426 3HG2 THR 56 1HG2 THR 56 -5.107 9.633 9.633 427 H LEU 57 H LEU 57 -7.338 7.441 7.441 428 HA LEU 57 HA LEU 57 -5.680 6.397 6.397 429 1HB LEU 57 2HB LEU 57 -8.562 6.128 6.128 430 2HB LEU 57 1HB LEU 57 -7.782 4.559 4.559 431 HG LEU 57 HG LEU 57 -6.464 5.338 5.338 432 1HD1 LEU 57 1HD1 LEU 57 -8.392 7.554 7.554 433 2HD1 LEU 57 3HD1 LEU 57 -8.118 6.979 6.979 434 3HD1 LEU 57 2HD1 LEU 57 -6.764 7.559 7.559 435 1HD2 LEU 57 1HD2 LEU 57 -9.138 4.272 4.272 436 2HD2 LEU 57 3HD2 LEU 57 -7.850 3.807 3.807 437 3HD2 LEU 57 2HD2 LEU 57 -8.939 5.129 5.129 438 H THR 58 H THR 58 -4.189 5.188 5.188 439 HA THR 58 HA THR 58 -4.806 4.010 4.010 440 HB THR 58 HB THR 58 -2.163 4.023 4.023 441 HG1 THR 58 HG1 THR 58 -3.069 6.153 6.153 442 1HG2 THR 58 2HG2 THR 58 -3.022 3.135 3.135 443 2HG2 THR 58 1HG2 THR 58 -1.612 4.195 4.195 444 3HG2 THR 58 3HG2 THR 58 -1.595 2.703 2.703 445 H THR 59 H THR 59 -5.193 1.902 1.902 446 HA THR 59 HA THR 59 -4.740 0.072 0.072 447 HB THR 59 HB THR 59 -6.432 -1.267 -1.267 448 HG1 THR 59 HG1 THR 59 -7.457 0.137 0.137 449 1HG2 THR 59 3HG2 THR 59 -6.529 -0.364 -0.364 450 2HG2 THR 59 2HG2 THR 59 -7.941 0.366 0.366 451 3HG2 THR 59 1HG2 THR 59 -7.718 -1.383 -1.383 452 H VAL 60 H VAL 60 -3.904 -2.002 -2.002 453 HA VAL 60 HA VAL 60 -2.580 -2.355 -2.355 454 HB VAL 60 HB VAL 60 -1.465 -3.099 -3.099 455 1HG1 VAL 60 3HG1 VAL 60 -0.880 -4.694 -4.694 456 2HG1 VAL 60 2HG1 VAL 60 -0.189 -3.356 -3.356 457 3HG1 VAL 60 1HG1 VAL 60 0.517 -3.822 -3.822 458 1HG2 VAL 60 3HG2 VAL 60 -1.138 -0.771 -0.771 459 2HG2 VAL 60 2HG2 VAL 60 -0.960 -0.901 -0.901 460 3HG2 VAL 60 1HG2 VAL 60 0.343 -1.435 -1.435 461 H GLN 61 H GLN 61 -3.151 -4.144 -4.144 462 HA GLN 61 HA GLN 61 -4.290 -6.364 -6.364 463 1HB GLN 61 2HB GLN 61 -4.930 -6.453 -6.453 464 2HB GLN 61 1HB GLN 61 -6.005 -6.500 -6.500 465 1HG GLN 61 2HG GLN 61 -5.891 -4.045 -4.045 466 2HG GLN 61 1HG GLN 61 -4.882 -4.039 -4.039 467 1HE2 GLN 61 2HE2 GLN 61 -7.961 -5.596 -5.596 468 2HE2 GLN 61 1HE2 GLN 61 -6.528 -6.346 -6.346 469 H GLY 62 H GLY 62 -3.547 -8.407 -8.407 470 1HA GLY 62 2HA GLY 62 -2.455 -10.010 -10.010 471 2HA GLY 62 1HA GLY 62 -1.375 -8.705 -8.705 472 H ILE 63 H ILE 63 -1.184 -7.757 -7.757 473 HA ILE 63 HA ILE 63 1.136 -9.136 -9.136 474 HB ILE 63 HB ILE 63 -0.650 -7.239 -7.239 475 1HG1 ILE 63 2HG1 ILE 63 0.433 -5.988 -5.988 476 2HG1 ILE 63 1HG1 ILE 63 1.551 -5.844 -5.844 477 1HG2 ILE 63 3HG2 ILE 63 1.450 -8.919 -8.919 478 2HG2 ILE 63 2HG2 ILE 63 1.808 -7.210 -7.210 479 3HG2 ILE 63 1HG2 ILE 63 0.302 -7.885 -7.885 480 1HD1 ILE 63 1HD1 ILE 63 2.656 -7.940 -7.940 481 2HD1 ILE 63 3HD1 ILE 63 1.832 -7.325 -7.325 482 3HD1 ILE 63 2HD1 ILE 63 2.992 -6.307 -6.307 483 H ALA 64 H ALA 64 1.560 -10.579 -10.579 484 HA ALA 64 HA ALA 64 -0.653 -12.368 -12.368 485 1HB ALA 64 2HB ALA 64 1.710 -13.042 -13.042 486 2HB ALA 64 1HB ALA 64 2.165 -12.842 -12.842 487 3HB ALA 64 3HB ALA 64 0.919 -14.009 -14.009 488 H ASP 65 H ASP 65 -1.646 -12.521 -12.521 489 HA ASP 65 HA ASP 65 -1.290 -10.660 -10.660 490 1HB ASP 65 2HB ASP 65 -3.329 -12.130 -12.130 491 2HB ASP 65 1HB ASP 65 -2.497 -13.392 -13.392 492 H ASP 66 H ASP 66 0.386 -13.579 -13.579 493 HA ASP 66 HA ASP 66 1.288 -14.283 -14.283 494 1HB ASP 66 2HB ASP 66 1.520 -15.439 -15.439 495 2HB ASP 66 1HB ASP 66 3.106 -14.680 -14.680 496 H TYR 67 H TYR 67 2.233 -11.760 -11.760 497 HA TYR 67 HA TYR 67 4.813 -11.176 -11.176 498 1HB TYR 67 2HB TYR 67 2.515 -9.293 -9.293 499 2HB TYR 67 1HB TYR 67 4.186 -8.767 -8.767 500 HD1 TYR 67 HD1 TYR 67 4.024 -11.977 -11.977 501 HD2 TYR 67 HD2 TYR 67 3.504 -7.830 -7.830 502 HE1 TYR 67 HE1 TYR 67 4.343 -12.388 -12.388 503 HE2 TYR 67 HE2 TYR 67 3.818 -8.222 -8.222 504 HH TYR 67 HH TYR 67 3.502 -10.258 -10.258 505 H ASP 68 H ASP 68 5.466 -9.174 -9.174 506 HA ASP 68 HA ASP 68 4.667 -9.692 -9.692 507 1HB ASP 68 2HB ASP 68 7.039 -9.061 -9.061 508 2HB ASP 68 1HB ASP 68 6.451 -7.411 -7.411 509 H LYS 69 H LYS 69 2.399 -8.998 -8.998 510 HA LYS 69 HA LYS 69 1.391 -6.657 -6.657 511 1HB LYS 69 2HB LYS 69 0.077 -8.602 -8.602 512 2HB LYS 69 1HB LYS 69 0.431 -8.098 -8.098 513 1HG LYS 69 2HG LYS 69 -0.595 -5.813 -5.813 514 2HG LYS 69 1HG LYS 69 -1.538 -7.082 -7.082 515 1HD LYS 69 2HD LYS 69 -1.110 -7.066 -7.066 516 2HD LYS 69 1HD LYS 69 -2.402 -6.123 -6.123 517 1HE LYS 69 2HE LYS 69 -3.624 -7.989 -7.989 518 2HE LYS 69 1HE LYS 69 -2.716 -8.559 -8.559 519 1HZ LYS 69 1HZ LYS 69 -1.712 -8.977 -8.977 520 2HZ LYS 69 3HZ LYS 69 -2.817 -10.050 -10.050 521 3HZ LYS 69 2HZ LYS 69 -1.303 -9.811 -9.811 522 H LYS 70 H LYS 70 2.319 -7.253 -7.253 523 HA LYS 70 HA LYS 70 1.793 -4.785 -4.785 524 1HB LYS 70 2HB LYS 70 4.069 -6.673 -6.673 525 2HB LYS 70 1HB LYS 70 3.697 -5.262 -5.262 526 1HG LYS 70 2HG LYS 70 1.275 -6.460 -6.460 527 2HG LYS 70 1HG LYS 70 2.345 -7.862 -7.862 528 1HD LYS 70 2HD LYS 70 3.501 -6.326 -6.326 529 2HD LYS 70 1HD LYS 70 1.777 -6.051 -6.051 530 1HE LYS 70 2HE LYS 70 1.357 -8.358 -8.358 531 2HE LYS 70 1HE LYS 70 2.944 -8.803 -8.803 532 1HZ LYS 70 3HZ LYS 70 3.259 -7.092 -7.092 533 2HZ LYS 70 2HZ LYS 70 2.221 -8.356 -8.356 534 3HZ LYS 70 1HZ LYS 70 3.762 -8.698 -8.698 535 H LYS 71 H LYS 71 4.794 -5.799 -5.799 536 HA LYS 71 HA LYS 71 5.824 -3.084 -3.084 537 1HB LYS 71 2HB LYS 71 6.957 -5.728 -5.728 538 2HB LYS 71 1HB LYS 71 7.764 -4.226 -4.226 539 1HG LYS 71 2HG LYS 71 7.980 -3.642 -3.642 540 2HG LYS 71 1HG LYS 71 7.122 -5.115 -5.115 541 1HD LYS 71 2HD LYS 71 9.093 -6.116 -6.116 542 2HD LYS 71 1HD LYS 71 9.909 -4.734 -4.734 543 1HE LYS 71 2HE LYS 71 8.324 -6.553 -6.553 544 2HE LYS 71 1HE LYS 71 9.899 -7.096 -7.096 545 1HZ LYS 71 2HZ LYS 71 10.568 -4.703 -4.703 546 2HZ LYS 71 1HZ LYS 71 9.242 -4.950 -4.950 547 3HZ LYS 71 3HZ LYS 71 10.537 -6.038 -6.038 548 H LEU 72 H LEU 72 3.992 -4.999 -4.999 549 HA LEU 72 HA LEU 72 4.890 -4.130 -4.130 550 1HB LEU 72 2HB LEU 72 2.950 -5.819 -5.819 551 2HB LEU 72 1HB LEU 72 1.970 -4.458 -4.458 552 HG LEU 72 HG LEU 72 2.243 -6.118 -6.118 553 1HD1 LEU 72 2HD1 LEU 72 2.262 -3.479 -3.479 554 2HD1 LEU 72 1HD1 LEU 72 3.857 -3.811 -3.811 555 3HD1 LEU 72 3HD1 LEU 72 2.427 -4.558 -4.558 556 1HD2 LEU 72 3HD2 LEU 72 4.547 -6.802 -6.802 557 2HD2 LEU 72 2HD2 LEU 72 4.330 -6.662 -6.662 558 3HD2 LEU 72 1HD2 LEU 72 5.156 -5.384 -5.384 559 H VAL 73 H VAL 73 2.471 -2.694 -2.694 560 HA VAL 73 HA VAL 73 2.378 -0.335 -0.335 561 HB VAL 73 HB VAL 73 0.494 0.337 0.337 562 1HG1 VAL 73 2HG1 VAL 73 0.341 -1.732 -1.732 563 2HG1 VAL 73 1HG1 VAL 73 -1.111 -1.208 -1.208 564 3HG1 VAL 73 3HG1 VAL 73 -0.143 -0.037 -0.037 565 1HG2 VAL 73 3HG2 VAL 73 1.088 -1.558 -1.558 566 2HG2 VAL 73 2HG2 VAL 73 -0.619 -1.408 -1.408 567 3HG2 VAL 73 1HG2 VAL 73 0.372 -2.646 -2.646 568 H LYS 74 H LYS 74 3.300 -1.397 -1.397 569 HA LYS 74 HA LYS 74 3.567 1.101 1.101 570 1HB LYS 74 2HB LYS 74 3.675 -1.012 -1.012 571 2HB LYS 74 1HB LYS 74 5.189 -1.412 -1.412 572 1HG LYS 74 2HG LYS 74 6.359 0.286 0.286 573 2HG LYS 74 1HG LYS 74 4.865 1.050 1.050 574 1HD LYS 74 2HD LYS 74 5.205 -1.757 -1.757 575 2HD LYS 74 1HD LYS 74 6.377 -0.635 -0.635 576 1HE LYS 74 2HE LYS 74 4.846 0.334 0.334 577 2HE LYS 74 1HE LYS 74 3.620 0.342 0.342 578 1HZ LYS 74 3HZ LYS 74 4.227 -2.279 -2.279 579 2HZ LYS 74 2HZ LYS 74 3.562 -1.224 -1.224 580 3HZ LYS 74 1HZ LYS 74 2.728 -1.548 -1.548 581 H ALA 75 H ALA 75 5.840 -0.776 -0.776 582 HA ALA 75 HA ALA 75 8.037 0.978 0.978 583 1HB ALA 75 3HB ALA 75 7.862 -1.456 -1.456 584 2HB ALA 75 2HB ALA 75 7.695 -0.574 -0.574 585 3HB ALA 75 1HB ALA 75 9.130 -0.344 -0.344 586 H PHE 76 H PHE 76 5.276 0.922 0.922 587 HA PHE 76 HA PHE 76 6.138 2.768 2.768 588 1HB PHE 76 2HB PHE 76 4.004 1.270 1.270 589 2HB PHE 76 1HB PHE 76 3.282 2.641 2.641 590 HD1 PHE 76 HD2 PHE 76 4.836 1.540 1.540 591 HD2 PHE 76 HD1 PHE 76 2.632 4.590 4.590 592 HE1 PHE 76 HE2 PHE 76 4.390 2.614 2.614 593 HE2 PHE 76 HE1 PHE 76 2.181 5.673 5.673 594 HZ PHE 76 HZ PHE 76 3.059 4.684 4.684 595 H LYS 77 H LYS 77 4.468 3.212 3.212 596 HA LYS 77 HA LYS 77 4.135 6.008 6.008 597 1HB LYS 77 2HB LYS 77 4.376 4.343 4.343 598 2HB LYS 77 1HB LYS 77 3.658 5.942 5.942 599 1HG LYS 77 2HG LYS 77 1.712 5.147 5.147 600 2HG LYS 77 1HG LYS 77 2.492 3.918 3.918 601 1HD LYS 77 2HD LYS 77 1.666 2.475 2.475 602 2HD LYS 77 1HD LYS 77 3.021 3.003 3.003 603 1HE LYS 77 2HE LYS 77 0.739 4.792 4.792 604 2HE LYS 77 1HE LYS 77 0.339 3.142 3.142 605 1HZ LYS 77 3HZ LYS 77 2.577 3.394 3.394 606 2HZ LYS 77 2HZ LYS 77 2.183 5.037 5.037 607 3HZ LYS 77 1HZ LYS 77 1.110 3.943 3.943 608 H LYS 78 H LYS 78 6.912 4.114 4.114 609 HA LYS 78 HA LYS 78 8.320 6.260 6.260 610 1HB LYS 78 2HB LYS 78 8.495 3.764 3.764 611 2HB LYS 78 1HB LYS 78 9.503 3.625 3.625 612 1HG LYS 78 2HG LYS 78 11.270 4.523 4.523 613 2HG LYS 78 1HG LYS 78 10.308 5.810 5.810 614 1HD LYS 78 2HD LYS 78 9.445 3.823 3.823 615 2HD LYS 78 1HD LYS 78 10.993 3.111 3.111 616 1HE LYS 78 2HE LYS 78 10.624 5.829 5.829 617 2HE LYS 78 1HE LYS 78 11.124 4.372 4.372 618 1HZ LYS 78 3HZ LYS 78 12.936 4.396 4.396 619 2HZ LYS 78 2HZ LYS 78 12.635 6.058 6.058 620 3HZ LYS 78 1HZ LYS 78 13.151 5.231 5.231 621 H LYS 79 H LYS 79 7.898 5.005 5.005 622 HA LYS 79 HA LYS 79 10.336 6.336 6.336 623 1HB LYS 79 2HB LYS 79 9.907 3.943 3.943 624 2HB LYS 79 1HB LYS 79 8.515 4.494 4.494 625 1HG LYS 79 2HG LYS 79 9.942 5.805 5.805 626 2HG LYS 79 1HG LYS 79 11.355 5.370 5.370 627 1HD LYS 79 2HD LYS 79 11.233 3.105 3.105 628 2HD LYS 79 1HD LYS 79 9.616 3.319 3.319 629 1HE LYS 79 2HE LYS 79 11.267 3.207 3.207 630 2HE LYS 79 1HE LYS 79 10.539 4.811 4.811 631 1HZ LYS 79 3HZ LYS 79 13.005 4.377 4.377 632 2HZ LYS 79 2HZ LYS 79 13.127 4.475 4.475 633 3HZ LYS 79 1HZ LYS 79 12.463 5.760 5.760 634 H PHE 80 H PHE 80 6.830 6.281 6.281 635 HA PHE 80 HA PHE 80 7.075 8.699 8.699 636 1HB PHE 80 2HB PHE 80 4.647 6.922 6.922 637 2HB PHE 80 1HB PHE 80 5.081 8.116 8.116 638 HD1 PHE 80 HD1 PHE 80 5.779 4.756 4.756 639 HD2 PHE 80 HD2 PHE 80 6.580 7.583 7.583 640 HE1 PHE 80 HE1 PHE 80 6.832 2.986 2.986 641 HE2 PHE 80 HE2 PHE 80 7.634 5.821 5.821 642 HZ PHE 80 HZ PHE 80 7.760 3.519 3.519 643 H ALA 81 H ALA 81 5.935 7.478 7.478 644 HA ALA 81 HA ALA 81 4.904 8.491 8.491 645 1HB ALA 81 2HB ALA 81 6.317 10.489 10.489 646 2HB ALA 81 1HB ALA 81 4.699 11.125 11.125 647 3HB ALA 81 3HB ALA 81 5.199 10.727 10.727 648 H CYS 82 H CYS 82 3.415 7.227 7.227 649 HA CYS 82 HA CYS 82 0.917 8.790 8.790 650 1HB CYS 82 2HB CYS 82 2.087 6.911 6.911 651 2HB CYS 82 1HB CYS 82 0.336 7.039 7.039 652 HG CYS 82 HG CYS 82 0.469 9.478 9.478 653 H ASN 83 H ASN 83 -1.075 7.590 7.590 654 HA ASN 83 HA ASN 83 -0.822 5.607 5.607 655 1HB ASN 83 2HB ASN 83 -2.764 7.491 7.491 656 2HB ASN 83 1HB ASN 83 -3.525 5.917 5.917 657 1HD2 ASN 83 2HD2 ASN 83 -2.204 6.970 6.970 658 2HD2 ASN 83 1HD2 ASN 83 -1.352 7.496 7.496 659 H GLY 84 H GLY 84 -0.468 3.541 3.541 660 1HA GLY 84 2HA GLY 84 -1.601 2.413 2.413 661 2HA GLY 84 1HA GLY 84 -0.166 1.803 1.803 662 H THR 85 H THR 85 -3.419 1.321 1.321 663 HA THR 85 HA THR 85 -3.626 -0.338 -0.338 664 HB THR 85 HB THR 85 -6.010 0.006 0.006 665 HG1 THR 85 HG1 THR 85 -5.652 1.603 1.603 666 1HG2 THR 85 3HG2 THR 85 -4.428 1.889 1.889 667 2HG2 THR 85 2HG2 THR 85 -5.044 2.765 2.765 668 3HG2 THR 85 1HG2 THR 85 -6.158 2.193 2.193 669 H VAL 86 H VAL 86 -4.805 -2.331 -2.331 670 HA VAL 86 HA VAL 86 -4.536 -3.524 -3.524 671 HB VAL 86 HB VAL 86 -3.275 -4.608 -4.608 672 1HG1 VAL 86 2HG1 VAL 86 -5.439 -4.085 -4.085 673 2HG1 VAL 86 1HG1 VAL 86 -5.644 -5.806 -5.806 674 3HG1 VAL 86 3HG1 VAL 86 -4.151 -5.218 -5.218 675 1HG2 VAL 86 1HG2 VAL 86 -4.656 -5.801 -5.801 676 2HG2 VAL 86 3HG2 VAL 86 -3.584 -6.662 -6.662 677 3HG2 VAL 86 2HG2 VAL 86 -5.324 -6.642 -6.642 678 H ILE 87 H ILE 87 -6.336 -3.892 -3.892 679 HA ILE 87 HA ILE 87 -8.844 -4.402 -4.402 680 HB ILE 87 HB ILE 87 -10.096 -3.184 -3.184 681 1HG1 ILE 87 2HG1 ILE 87 -7.742 -1.782 -1.782 682 2HG1 ILE 87 1HG1 ILE 87 -7.875 -3.467 -3.467 683 1HG2 ILE 87 2HG2 ILE 87 -9.395 -2.032 -2.032 684 2HG2 ILE 87 1HG2 ILE 87 -7.925 -1.495 -1.495 685 3HG2 ILE 87 3HG2 ILE 87 -9.500 -0.932 -0.932 686 1HD1 ILE 87 2HD1 ILE 87 -10.170 -1.559 -1.559 687 2HD1 ILE 87 1HD1 ILE 87 -8.934 -1.721 -1.721 688 3HD1 ILE 87 3HD1 ILE 87 -9.927 -3.110 -3.110 689 H GLU 88 H GLU 88 -10.292 -5.845 -5.845 690 HA GLU 88 HA GLU 88 -9.110 -7.543 -7.543 691 1HB GLU 88 2HB GLU 88 -9.996 -8.365 -8.365 692 2HB GLU 88 1HB GLU 88 -11.549 -8.346 -8.346 693 1HG GLU 88 2HG GLU 88 -10.747 -9.888 -9.888 694 2HG GLU 88 1HG GLU 88 -9.119 -9.820 -9.820 695 H HIS 89 H HIS 89 -9.735 -5.857 -5.857 696 HA HIS 89 HA HIS 89 -12.303 -5.018 -5.018 697 1HB HIS 89 2HB HIS 89 -9.934 -4.499 -4.499 698 2HB HIS 89 1HB HIS 89 -10.520 -5.638 -5.638 699 HD1 HIS 89 HD1 HIS 89 -12.109 -4.753 -4.753 700 HD2 HIS 89 HD2 HIS 89 -11.657 -2.178 -2.178 701 HE1 HIS 89 HE1 HIS 89 -13.349 -2.661 -2.661 702 HE2 HIS 89 HE2 HIS 89 -13.140 -1.150 -1.150 703 HA PRO 90 HA PRO 90 -14.290 -8.676 -8.676 704 1HB PRO 90 2HB PRO 90 -16.529 -7.585 -7.585 705 2HB PRO 90 1HB PRO 90 -16.197 -7.598 -7.598 706 1HG PRO 90 2HG PRO 90 -15.883 -5.375 -5.375 707 2HG PRO 90 1HG PRO 90 -16.507 -5.320 -5.320 708 1HD PRO 90 2HD PRO 90 -13.939 -4.623 -4.623 709 2HD PRO 90 1HD PRO 90 -14.417 -5.129 -5.129 710 H GLU 91 H GLU 91 -13.683 -5.922 -5.922 711 HA GLU 91 HA GLU 91 -14.248 -7.400 -7.400 712 1HB GLU 91 2HB GLU 91 -12.979 -4.678 -4.678 713 2HB GLU 91 1HB GLU 91 -13.645 -5.363 -5.363 714 1HG GLU 91 2HG GLU 91 -15.671 -5.450 -5.450 715 2HG GLU 91 1HG GLU 91 -14.952 -3.841 -3.841 716 H TYR 92 H TYR 92 -11.544 -6.827 -6.827 717 HA TYR 92 HA TYR 92 -9.754 -7.927 -7.927 718 1HB TYR 92 2HB TYR 92 -8.758 -6.314 -6.314 719 2HB TYR 92 1HB TYR 92 -7.980 -6.617 -6.617 720 HD1 TYR 92 HD1 TYR 92 -10.292 -5.941 -5.941 721 HD2 TYR 92 HD2 TYR 92 -8.727 -3.955 -3.955 722 HE1 TYR 92 HE1 TYR 92 -11.158 -3.806 -3.806 723 HE2 TYR 92 HE2 TYR 92 -9.589 -1.812 -1.812 724 HH TYR 92 HH TYR 92 -10.200 -0.997 -0.997 725 H GLY 93 H GLY 93 -10.278 -7.751 -7.751 726 1HA GLY 93 2HA GLY 93 -10.325 -9.603 -9.603 727 2HA GLY 93 1HA GLY 93 -9.592 -10.581 -10.581 728 H GLU 94 H GLU 94 -9.061 -8.698 -8.698 729 HA GLU 94 HA GLU 94 -7.236 -8.370 -8.370 730 1HB GLU 94 2HB GLU 94 -6.837 -10.853 -10.853 731 2HB GLU 94 1HB GLU 94 -5.319 -10.008 -10.008 732 1HG GLU 94 2HG GLU 94 -4.803 -9.928 -9.928 733 2HG GLU 94 1HG GLU 94 -6.490 -9.888 -9.888 734 H VAL 95 H VAL 95 -6.839 -6.248 -6.248 735 HA VAL 95 HA VAL 95 -4.512 -5.760 -5.760 736 HB VAL 95 HB VAL 95 -5.572 -3.779 -3.779 737 1HG1 VAL 95 1HG1 VAL 95 -5.695 -6.355 -6.355 738 2HG1 VAL 95 3HG1 VAL 95 -7.408 -5.933 -5.933 739 3HG1 VAL 95 2HG1 VAL 95 -6.265 -4.991 -4.991 740 1HG2 VAL 95 3HG2 VAL 95 -7.999 -4.816 -4.816 741 2HG2 VAL 95 2HG2 VAL 95 -7.312 -3.192 -3.192 742 3HG2 VAL 95 1HG2 VAL 95 -8.123 -3.784 -3.784 743 H ILE 96 H ILE 96 -3.384 -3.834 -3.834 744 HA ILE 96 HA ILE 96 -3.937 -2.889 -2.889 745 HB ILE 96 HB ILE 96 -1.495 -3.101 -3.101 746 1HG1 ILE 96 2HG1 ILE 96 -2.215 -4.619 -4.619 747 2HG1 ILE 96 1HG1 ILE 96 -0.561 -4.015 -4.015 748 1HG2 ILE 96 1HG2 ILE 96 -2.002 -0.822 -0.822 749 2HG2 ILE 96 3HG2 ILE 96 -0.380 -1.495 -1.495 750 3HG2 ILE 96 2HG2 ILE 96 -1.196 -0.829 -0.829 751 1HD1 ILE 96 3HD1 ILE 96 -2.204 -2.181 -2.181 752 2HD1 ILE 96 2HD1 ILE 96 -2.603 -3.806 -3.806 753 3HD1 ILE 96 1HD1 ILE 96 -0.939 -3.232 -3.232 754 H GLN 97 H GLN 97 -4.794 -0.961 -0.961 755 HA GLN 97 HA GLN 97 -5.042 0.893 0.893 756 1HB GLN 97 2HB GLN 97 -6.910 -0.023 -0.023 757 2HB GLN 97 1HB GLN 97 -6.505 1.560 1.560 758 1HG GLN 97 2HG GLN 97 -7.414 2.669 2.669 759 2HG GLN 97 1HG GLN 97 -7.036 1.390 1.390 760 1HE2 GLN 97 2HE2 GLN 97 -10.424 1.061 1.061 761 2HE2 GLN 97 1HE2 GLN 97 -9.029 1.870 1.870 762 H LEU 98 H LEU 98 -3.512 2.370 2.370 763 HA LEU 98 HA LEU 98 -2.300 3.441 3.441 764 1HB LEU 98 2HB LEU 98 -1.598 4.011 4.011 765 2HB LEU 98 1HB LEU 98 -0.658 4.445 4.445 766 HG LEU 98 HG LEU 98 -1.227 1.561 1.561 767 1HD1 LEU 98 2HD1 LEU 98 -0.526 2.773 2.773 768 2HD1 LEU 98 1HD1 LEU 98 1.075 2.642 2.642 769 3HD1 LEU 98 3HD1 LEU 98 0.110 1.192 1.192 770 1HD2 LEU 98 2HD2 LEU 98 0.287 3.004 3.004 771 2HD2 LEU 98 1HD2 LEU 98 0.566 1.308 1.308 772 3HD2 LEU 98 3HD2 LEU 98 1.485 2.566 2.566 773 H GLN 99 H GLN 99 -2.055 5.801 5.801 774 HA GLN 99 HA GLN 99 -4.525 7.123 7.123 775 1HB GLN 99 2HB GLN 99 -3.052 7.119 7.119 776 2HB GLN 99 1HB GLN 99 -2.783 8.716 8.716 777 1HG GLN 99 2HG GLN 99 -5.547 8.095 8.095 778 2HG GLN 99 1HG GLN 99 -5.027 7.759 7.759 779 1HE2 GLN 99 1HE2 GLN 99 -5.541 10.184 10.184 780 2HE2 GLN 99 2HE2 GLN 99 -5.318 11.554 11.554 781 H GLY 100 H GLY 100 -4.614 9.017 9.017 782 1HA GLY 100 2HA GLY 100 -3.898 10.745 10.745 783 2HA GLY 100 1HA GLY 100 -2.267 10.478 10.478 784 H ASP 101 H ASP 101 -2.536 11.121 11.121 785 HA ASP 101 HA ASP 101 -2.845 8.891 8.891 786 1HB ASP 101 2HB ASP 101 -1.739 10.371 10.371 787 2HB ASP 101 1HB ASP 101 -3.128 11.106 11.106 788 H GLN 102 H GLN 102 -1.582 7.198 7.198 789 HA GLN 102 HA GLN 102 1.326 7.620 7.620 790 1HB GLN 102 2HB GLN 102 -0.513 5.932 5.932 791 2HB GLN 102 1HB GLN 102 0.898 5.067 5.067 792 1HG GLN 102 2HG GLN 102 1.062 6.083 6.083 793 2HG GLN 102 1HG GLN 102 2.377 6.445 6.445 794 1HE2 GLN 102 2HE2 GLN 102 -0.331 9.464 9.464 795 2HE2 GLN 102 1HE2 GLN 102 -0.851 7.849 7.849 796 H ARG 103 H ARG 103 -0.865 6.833 6.833 797 HA ARG 103 HA ARG 103 -0.375 4.392 4.392 798 1HB ARG 103 2HB ARG 103 -0.796 5.437 5.437 799 2HB ARG 103 1HB ARG 103 -1.974 5.881 5.881 800 1HG ARG 103 2HG ARG 103 -0.848 8.020 8.020 801 2HG ARG 103 1HG ARG 103 0.348 7.574 7.574 802 1HD ARG 103 2HD ARG 103 -2.576 7.565 7.565 803 2HD ARG 103 1HD ARG 103 -1.653 9.067 9.067 804 HE ARG 103 HE ARG 103 -1.596 6.983 6.983 805 1HH1 ARG 103 2HH1 ARG 103 0.377 9.426 9.426 806 2HH1 ARG 103 1HH1 ARG 103 1.455 9.572 9.572 807 1HH2 ARG 103 1HH2 ARG 103 -0.178 7.174 7.174 808 2HH2 ARG 103 2HH2 ARG 103 1.141 8.294 8.294 809 H LYS 104 H LYS 104 1.801 7.117 7.117 810 HA LYS 104 HA LYS 104 3.696 5.695 5.695 811 1HB LYS 104 2HB LYS 104 3.070 8.147 8.147 812 2HB LYS 104 1HB LYS 104 4.015 8.493 8.493 813 1HG LYS 104 2HG LYS 104 5.648 6.888 6.888 814 2HG LYS 104 1HG LYS 104 4.895 8.062 8.062 815 1HD LYS 104 2HD LYS 104 6.370 8.723 8.723 816 2HD LYS 104 1HD LYS 104 7.026 8.877 8.877 817 1HE LYS 104 2HE LYS 104 5.411 10.557 10.557 818 2HE LYS 104 1HE LYS 104 4.551 10.302 10.302 819 1HZ LYS 104 1HZ LYS 104 6.938 10.906 10.906 820 2HZ LYS 104 3HZ LYS 104 7.018 11.764 11.764 821 3HZ LYS 104 2HZ LYS 104 5.780 12.087 12.087 822 H ASN 105 H ASN 105 3.109 6.524 6.524 823 HA ASN 105 HA ASN 105 5.873 6.166 6.166 824 1HB ASN 105 2HB ASN 105 3.340 6.945 6.945 825 2HB ASN 105 1HB ASN 105 4.675 6.326 6.326 826 1HD2 ASN 105 2HD2 ASN 105 4.657 10.108 10.108 827 2HD2 ASN 105 1HD2 ASN 105 3.311 9.033 9.033 828 H ILE 106 H ILE 106 2.816 4.398 4.398 829 HA ILE 106 HA ILE 106 3.765 2.342 2.342 830 HB ILE 106 HB ILE 106 1.365 2.800 2.800 831 1HG1 ILE 106 2HG1 ILE 106 0.654 0.510 0.510 832 2HG1 ILE 106 1HG1 ILE 106 2.086 -0.036 -0.036 833 1HG2 ILE 106 3HG2 ILE 106 1.470 3.162 3.162 834 2HG2 ILE 106 2HG2 ILE 106 1.762 1.441 1.441 835 3HG2 ILE 106 1HG2 ILE 106 0.231 1.991 1.991 836 1HD1 ILE 106 3HD1 ILE 106 2.589 1.425 1.425 837 2HD1 ILE 106 2HD1 ILE 106 1.794 -0.140 -0.140 838 3HD1 ILE 106 1HD1 ILE 106 3.354 -0.026 -0.026 839 H CYS 107 H CYS 107 3.405 2.466 2.466 840 HA CYS 107 HA CYS 107 4.346 -0.088 -0.088 841 1HB CYS 107 2HB CYS 107 5.131 0.950 0.950 842 2HB CYS 107 1HB CYS 107 3.440 1.232 1.232 843 HG CYS 107 HG CYS 107 3.874 3.628 3.628 844 H GLN 108 H GLN 108 5.999 2.843 2.843 845 HA GLN 108 HA GLN 108 8.657 2.025 2.025 846 1HB GLN 108 2HB GLN 108 7.381 4.179 4.179 847 2HB GLN 108 1HB GLN 108 9.065 3.805 3.805 848 1HG GLN 108 2HG GLN 108 8.307 4.203 4.203 849 2HG GLN 108 1HG GLN 108 8.294 5.618 5.618 850 1HE2 GLN 108 2HE2 GLN 108 11.894 3.703 3.703 851 2HE2 GLN 108 1HE2 GLN 108 10.437 2.845 2.845 852 H PHE 109 H PHE 109 6.782 2.141 2.141 853 HA PHE 109 HA PHE 109 8.613 1.106 1.106 854 1HB PHE 109 2HB PHE 109 6.418 2.053 2.053 855 2HB PHE 109 1HB PHE 109 5.625 0.632 0.632 856 HD1 PHE 109 HD2 PHE 109 8.273 1.499 1.499 857 HD2 PHE 109 HD1 PHE 109 5.008 -1.025 -1.025 858 HE1 PHE 109 HE2 PHE 109 8.439 0.393 0.393 859 HE2 PHE 109 HE1 PHE 109 5.167 -2.134 -2.134 860 HZ PHE 109 HZ PHE 109 6.884 -1.422 -1.422 861 H LEU 110 H LEU 110 6.141 -0.709 -0.709 862 HA LEU 110 HA LEU 110 6.798 -3.258 -3.258 863 1HB LEU 110 2HB LEU 110 5.501 -2.144 -2.144 864 2HB LEU 110 1HB LEU 110 5.956 -3.835 -3.835 865 HG LEU 110 HG LEU 110 4.482 -4.349 -4.349 866 1HD1 LEU 110 3HD1 LEU 110 4.351 -1.379 -1.379 867 2HD1 LEU 110 2HD1 LEU 110 3.110 -2.456 -2.456 868 3HD1 LEU 110 1HD1 LEU 110 4.787 -2.633 -2.633 869 1HD2 LEU 110 2HD2 LEU 110 3.551 -3.692 -3.692 870 2HD2 LEU 110 1HD2 LEU 110 2.450 -4.018 -4.018 871 3HD2 LEU 110 3HD2 LEU 110 2.822 -2.354 -2.354 872 H VAL 111 H VAL 111 8.372 -1.215 -1.215 873 HA VAL 111 HA VAL 111 10.077 -3.391 -3.391 874 HB VAL 111 HB VAL 111 10.020 -0.479 -0.479 875 1HG1 VAL 111 1HG1 VAL 111 11.721 -2.778 -2.778 876 2HG1 VAL 111 3HG1 VAL 111 11.211 -1.652 -1.652 877 3HG1 VAL 111 2HG1 VAL 111 12.121 -1.065 -1.065 878 1HG2 VAL 111 2HG2 VAL 111 8.073 -2.238 -2.238 879 2HG2 VAL 111 1HG2 VAL 111 8.549 -0.975 -0.975 880 3HG2 VAL 111 3HG2 VAL 111 9.158 -2.618 -2.618 881 H GLU 112 H GLU 112 10.127 -0.710 -0.710 882 HA GLU 112 HA GLU 112 12.989 -0.541 -0.541 883 1HB GLU 112 2HB GLU 112 10.756 0.629 0.629 884 2HB GLU 112 1HB GLU 112 12.458 0.912 0.912 885 1HG GLU 112 2HG GLU 112 11.718 1.449 1.449 886 2HG GLU 112 1HG GLU 112 10.874 2.459 2.459 887 H ILE 113 H ILE 113 10.386 -1.869 -1.869 888 HA ILE 113 HA ILE 113 12.269 -2.952 -2.952 889 HB ILE 113 HB ILE 113 10.398 -3.698 -3.698 890 1HG1 ILE 113 2HG1 ILE 113 8.712 -3.171 -3.171 891 2HG1 ILE 113 1HG1 ILE 113 9.126 -4.753 -4.753 892 1HG2 ILE 113 3HG2 ILE 113 10.820 -1.136 -1.136 893 2HG2 ILE 113 2HG2 ILE 113 9.210 -1.226 -1.226 894 3HG2 ILE 113 1HG2 ILE 113 9.455 -1.686 -1.686 895 1HD1 ILE 113 1HD1 ILE 113 7.879 -3.117 -3.117 896 2HD1 ILE 113 3HD1 ILE 113 6.872 -3.242 -3.242 897 3HD1 ILE 113 2HD1 ILE 113 7.414 -4.703 -4.703 898 H GLY 114 H GLY 114 10.899 -3.963 -3.963 899 1HA GLY 114 2HA GLY 114 11.434 -5.913 -5.913 900 2HA GLY 114 1HA GLY 114 12.095 -6.594 -6.594 901 H LEU 115 H LEU 115 8.927 -5.143 -5.143 902 HA LEU 115 HA LEU 115 7.703 -7.551 -7.551 903 1HB LEU 115 2HB LEU 115 7.178 -4.916 -4.916 904 2HB LEU 115 1HB LEU 115 5.997 -5.315 -5.315 905 HG LEU 115 HG LEU 115 5.017 -7.001 -7.001 906 1HD1 LEU 115 1HD1 LEU 115 7.479 -7.045 -7.045 907 2HD1 LEU 115 3HD1 LEU 115 6.380 -6.351 -6.351 908 3HD1 LEU 115 2HD1 LEU 115 6.028 -7.925 -7.925 909 1HD2 LEU 115 1HD2 LEU 115 4.706 -4.362 -4.362 910 2HD2 LEU 115 3HD2 LEU 115 3.808 -5.545 -5.545 911 3HD2 LEU 115 2HD2 LEU 115 5.234 -4.763 -4.763 912 H ALA 116 H ALA 116 6.572 -5.462 -5.462 913 HA ALA 116 HA ALA 116 5.480 -7.772 -7.772 914 1HB ALA 116 2HB ALA 116 4.379 -5.468 -5.468 915 2HB ALA 116 1HB ALA 116 5.510 -4.974 -4.974 916 3HB ALA 116 3HB ALA 116 4.355 -6.269 -6.269 917 H LYS 117 H LYS 117 5.808 -6.992 -6.992 918 HA LYS 117 HA LYS 117 8.720 -7.261 -7.261 919 1HB LYS 117 2HB LYS 117 6.559 -8.957 -8.957 920 2HB LYS 117 1HB LYS 117 7.492 -8.343 -8.343 921 1HG LYS 117 2HG LYS 117 8.284 -10.525 -10.525 922 2HG LYS 117 1HG LYS 117 9.514 -9.260 -9.260 923 1HD LYS 117 2HD LYS 117 8.000 -9.343 -9.343 924 2HD LYS 117 1HD LYS 117 8.760 -10.895 -10.895 925 1HE LYS 117 2HE LYS 117 10.800 -9.233 -9.233 926 2HE LYS 117 1HE LYS 117 9.977 -8.291 -8.291 927 1HZ LYS 117 3HZ LYS 117 10.354 -11.103 -11.103 928 2HZ LYS 117 2HZ LYS 117 11.773 -10.186 -10.186 929 3HZ LYS 117 1HZ LYS 117 10.543 -9.745 -9.745 930 H ASP 118 H ASP 118 9.651 -6.174 -6.174 931 HA ASP 118 HA ASP 118 8.551 -3.693 -3.693 932 1HB ASP 118 2HB ASP 118 10.346 -3.475 -3.475 933 2HB ASP 118 1HB ASP 118 10.962 -4.189 -4.189 934 H ASP 119 H ASP 119 8.289 -6.798 -6.798 935 HA ASP 119 HA ASP 119 7.076 -5.756 -5.756 936 1HB ASP 119 2HB ASP 119 7.293 -8.579 -8.579 937 2HB ASP 119 1HB ASP 119 6.639 -8.160 -8.160 938 H GLN 120 H GLN 120 6.057 -6.862 -6.862 939 HA GLN 120 HA GLN 120 3.289 -7.193 -7.193 940 1HB GLN 120 2HB GLN 120 4.643 -7.109 -7.109 941 2HB GLN 120 1HB GLN 120 2.945 -7.480 -7.480 942 1HG GLN 120 2HG GLN 120 3.633 -9.425 -9.425 943 2HG GLN 120 1HG GLN 120 5.309 -9.082 -9.082 944 1HE2 GLN 120 2HE2 GLN 120 2.809 -10.175 -10.175 945 2HE2 GLN 120 1HE2 GLN 120 2.263 -9.109 -9.109 946 H LEU 121 H LEU 121 5.274 -4.566 -4.566 947 HA LEU 121 HA LEU 121 3.750 -2.852 -2.852 948 1HB LEU 121 2HB LEU 121 5.599 -2.312 -2.312 949 2HB LEU 121 1HB LEU 121 4.844 -1.017 -1.017 950 HG LEU 121 HG LEU 121 6.566 -3.130 -3.130 951 1HD1 LEU 121 3HD1 LEU 121 7.317 -0.498 -0.498 952 2HD1 LEU 121 2HD1 LEU 121 8.270 -1.228 -1.228 953 3HD1 LEU 121 1HD1 LEU 121 8.059 -2.081 -2.081 954 1HD2 LEU 121 2HD2 LEU 121 4.953 -0.940 -0.940 955 2HD2 LEU 121 1HD2 LEU 121 5.794 -2.200 -2.200 956 3HD2 LEU 121 3HD2 LEU 121 6.645 -0.724 -0.724 957 H LYS 122 H LYS 122 1.561 -3.055 -3.055 958 HA LYS 122 HA LYS 122 0.631 -2.109 -2.109 959 1HB LYS 122 2HB LYS 122 -0.380 -4.117 -4.117 960 2HB LYS 122 1HB LYS 122 -1.608 -3.097 -3.097 961 1HG LYS 122 2HG LYS 122 0.453 -4.607 -4.607 962 2HG LYS 122 1HG LYS 122 -1.141 -5.252 -5.252 963 1HD LYS 122 2HD LYS 122 -2.149 -4.018 -4.018 964 2HD LYS 122 1HD LYS 122 -1.241 -2.568 -2.568 965 1HE LYS 122 2HE LYS 122 0.688 -4.089 -4.089 966 2HE LYS 122 1HE LYS 122 -0.737 -4.564 -4.564 967 1HZ LYS 122 3HZ LYS 122 -0.057 -1.722 -1.722 968 2HZ LYS 122 2HZ LYS 122 0.581 -2.588 -2.588 969 3HZ LYS 122 1HZ LYS 122 -1.092 -2.379 -2.379 970 H VAL 123 H VAL 123 1.111 0.092 0.092 971 HA VAL 123 HA VAL 123 -0.598 1.145 1.145 972 HB VAL 123 HB VAL 123 1.712 1.961 1.961 973 1HG1 VAL 123 1HG1 VAL 123 1.264 1.962 1.962 974 2HG1 VAL 123 3HG1 VAL 123 1.228 3.680 3.680 975 3HG1 VAL 123 2HG1 VAL 123 2.640 2.708 2.708 976 1HG2 VAL 123 2HG2 VAL 123 -0.486 3.966 3.966 977 2HG2 VAL 123 1HG2 VAL 123 0.208 3.439 3.439 978 3HG2 VAL 123 3HG2 VAL 123 1.163 4.424 4.424 979 H HIS 124 H HIS 124 -2.613 1.800 1.800 980 HA HIS 124 HA HIS 124 -3.272 2.732 2.732 981 1HB HIS 124 2HB HIS 124 -5.063 1.399 1.399 982 2HB HIS 124 1HB HIS 124 -5.598 2.021 2.021 983 HD1 HIS 124 HD1 HIS 124 -5.295 0.527 0.527 984 HD2 HIS 124 HD2 HIS 124 -3.299 -0.874 -0.874 985 HE1 HIS 124 HE1 HIS 124 -4.466 -1.767 -1.767 986 HE2 HIS 124 HE2 HIS 124 -3.179 -2.553 -2.553 987 H GLY 125 H GLY 125 -3.532 3.402 3.402 988 1HA GLY 125 2HA GLY 125 -4.082 5.330 5.330 989 2HA GLY 125 1HA GLY 125 -3.808 6.175 6.175 990 H PHE 126 HN PHE 126 -5.507 7.213 7.213 991 HA PHE 126 HA PHE 126 -8.077 6.131 6.131 992 1HB PHE 126 2HB PHE 126 -9.349 7.147 7.147 993 2HB PHE 126 1HB PHE 126 -7.929 6.542 6.542 994 HD1 PHE 126 HD1 PHE 126 -6.000 8.719 8.719 995 HD2 PHE 126 HD2 PHE 126 -9.990 8.860 8.860 996 HE1 PHE 126 HE1 PHE 126 -5.583 10.970 10.970 997 HE2 PHE 126 HE2 PHE 126 -9.580 11.111 11.111 998 HZ PHE 126 HZ PHE 126 -7.374 12.170 12.170 Start of MODEL 25 1 1H MET 1 2H MET 1 2.773 -15.264 -15.264 2 2H MET 1 1H MET 1 4.370 -14.932 -14.932 3 3H MET 1 3H MET 1 3.315 -15.857 -15.857 4 HA MET 1 HA MET 1 2.028 -14.076 -14.076 5 1HB MET 1 2HB MET 1 4.907 -13.178 -13.178 6 2HB MET 1 1HB MET 1 3.695 -12.382 -12.382 7 1HG MET 1 2HG MET 1 3.564 -15.041 -15.041 8 2HG MET 1 1HG MET 1 5.285 -14.732 -14.732 9 1HE MET 1 3HE MET 1 3.126 -15.341 -15.341 10 2HE MET 1 2HE MET 1 3.118 -14.067 -14.067 11 3HE MET 1 1HE MET 1 2.100 -13.923 -13.923 12 H ARG 2 H ARG 2 4.271 -13.084 -13.084 13 HA ARG 2 HA ARG 2 2.158 -11.387 -11.387 14 1HB ARG 2 2HB ARG 2 3.887 -9.603 -9.603 15 2HB ARG 2 1HB ARG 2 3.419 -9.798 -9.798 16 1HG ARG 2 2HG ARG 2 5.444 -10.751 -10.751 17 2HG ARG 2 1HG ARG 2 5.823 -11.214 -11.214 18 1HD ARG 2 2HD ARG 2 5.917 -8.721 -8.721 19 2HD ARG 2 1HD ARG 2 5.918 -8.480 -8.480 20 HE ARG 2 HE ARG 2 7.928 -10.303 -10.303 21 1HH1 ARG 2 2HH1 ARG 2 7.181 -6.976 -6.976 22 2HH1 ARG 2 1HH1 ARG 2 8.841 -6.502 -6.502 23 1HH2 ARG 2 1HH2 ARG 2 10.113 -9.680 -9.680 24 2HH2 ARG 2 2HH2 ARG 2 10.506 -8.036 -8.036 25 H GLY 3 H GLY 3 2.203 -13.405 -13.405 26 1HA GLY 3 2HA GLY 3 3.481 -12.828 -12.828 27 2HA GLY 3 1HA GLY 3 4.311 -14.141 -14.141 28 H SER 4 H SER 4 2.696 -15.858 -15.858 29 HA SER 4 HA SER 4 0.486 -16.281 -16.281 30 1HB SER 4 2HB SER 4 1.186 -18.433 -18.433 31 2HB SER 4 1HB SER 4 2.653 -17.459 -17.459 32 HG SER 4 HG SER 4 3.065 -18.252 -18.252 33 H HIS 5 H HIS 5 -0.489 -18.625 -18.625 34 HA HIS 5 HA HIS 5 -1.778 -19.678 -19.678 35 1HB HIS 5 2HB HIS 5 0.421 -20.283 -20.283 36 2HB HIS 5 1HB HIS 5 0.401 -18.813 -18.813 37 HD1 HIS 5 HD1 HIS 5 -1.664 -18.698 -18.698 38 HD2 HIS 5 HD2 HIS 5 -0.699 -22.437 -22.437 39 HE1 HIS 5 HE1 HIS 5 -2.706 -20.359 -20.359 40 HE2 HIS 5 HE2 HIS 5 -2.182 -22.613 -22.613 41 H HIS 6 H HIS 6 -3.511 -18.228 -18.228 42 HA HIS 6 HA HIS 6 -3.621 -15.967 -15.967 43 1HB HIS 6 2HB HIS 6 -4.999 -16.771 -16.771 44 2HB HIS 6 1HB HIS 6 -6.100 -16.149 -16.149 45 HD1 HIS 6 HD1 HIS 6 -2.668 -15.019 -15.019 46 HD2 HIS 6 HD2 HIS 6 -6.467 -13.521 -13.521 47 HE1 HIS 6 HE1 HIS 6 -2.536 -12.560 -12.560 48 HE2 HIS 6 HE2 HIS 6 -4.826 -11.661 -11.661 49 H HIS 7 H HIS 7 -6.131 -15.753 -15.753 50 HA HIS 7 HA HIS 7 -6.546 -18.155 -18.155 51 1HB HIS 7 2HB HIS 7 -7.816 -16.478 -16.478 52 2HB HIS 7 1HB HIS 7 -6.058 -16.402 -16.402 53 HD1 HIS 7 HD1 HIS 7 -9.080 -14.583 -14.583 54 HD2 HIS 7 HD2 HIS 7 -4.997 -14.006 -14.006 55 HE1 HIS 7 HE1 HIS 7 -8.671 -12.161 -12.161 56 HE2 HIS 7 HE2 HIS 7 -6.180 -11.857 -11.857 57 H HIS 8 H HIS 8 -8.085 -19.354 -19.354 58 HA HIS 8 HA HIS 8 -10.663 -18.066 -18.066 59 1HB HIS 8 2HB HIS 8 -9.355 -20.093 -20.093 60 2HB HIS 8 1HB HIS 8 -10.947 -19.374 -19.374 61 HD1 HIS 8 HD1 HIS 8 -10.495 -16.456 -16.456 62 HD2 HIS 8 HD2 HIS 8 -7.743 -18.947 -18.947 63 HE1 HIS 8 HE1 HIS 8 -9.147 -14.960 -14.960 64 HE2 HIS 8 HE2 HIS 8 -7.555 -16.506 -16.506 65 H HIS 9 H HIS 9 -9.697 -19.634 -19.634 66 HA HIS 9 HA HIS 9 -11.899 -21.383 -21.383 67 1HB HIS 9 2HB HIS 9 -10.681 -23.520 -23.520 68 2HB HIS 9 1HB HIS 9 -10.606 -22.849 -22.849 69 HD1 HIS 9 HD1 HIS 9 -8.515 -24.259 -24.259 70 HD2 HIS 9 HD2 HIS 9 -8.021 -21.431 -21.431 71 HE1 HIS 9 HE1 HIS 9 -6.031 -24.058 -24.058 72 HE2 HIS 9 HE2 HIS 9 -5.760 -22.412 -22.412 73 H HIS 10 H HIS 10 -12.380 -21.160 -21.160 74 HA HIS 10 HA HIS 10 -10.236 -20.575 -20.575 75 1HB HIS 10 2HB HIS 10 -13.215 -20.396 -20.396 76 2HB HIS 10 1HB HIS 10 -11.930 -19.687 -19.687 77 HD1 HIS 10 HD1 HIS 10 -10.728 -17.577 -17.577 78 HD2 HIS 10 HD2 HIS 10 -14.013 -18.902 -18.902 79 HE1 HIS 10 HE1 HIS 10 -11.304 -15.694 -15.694 80 HE2 HIS 10 HE2 HIS 10 -13.245 -16.550 -16.550 81 H THR 11 H THR 11 -9.666 -22.935 -22.935 82 HA THR 11 HA THR 11 -11.412 -24.711 -24.711 83 HB THR 11 HB THR 11 -8.853 -25.440 -25.440 84 HG1 THR 11 HG1 THR 11 -9.891 -25.367 -25.367 85 1HG2 THR 11 2HG2 THR 11 -11.048 -26.976 -26.976 86 2HG2 THR 11 1HG2 THR 11 -10.357 -27.601 -27.601 87 3HG2 THR 11 3HG2 THR 11 -9.322 -27.327 -27.327 88 H ASP 12 H ASP 12 -8.687 -22.749 -22.749 89 HA ASP 12 HA ASP 12 -7.276 -22.425 -22.425 90 1HB ASP 12 2HB ASP 12 -9.146 -24.321 -24.321 91 2HB ASP 12 1HB ASP 12 -7.925 -23.314 -23.314 92 HA PRO 13 HA PRO 13 -5.288 -26.527 -26.527 93 1HB PRO 13 2HB PRO 13 -3.153 -24.579 -24.579 94 2HB PRO 13 1HB PRO 13 -3.737 -25.976 -25.976 95 1HG PRO 13 2HG PRO 13 -4.365 -23.496 -23.496 96 2HG PRO 13 1HG PRO 13 -5.543 -24.817 -24.817 97 1HD PRO 13 2HD PRO 13 -5.359 -22.621 -22.621 98 2HD PRO 13 1HD PRO 13 -6.796 -23.353 -23.353 99 H MET 14 H MET 14 -4.361 -23.726 -23.726 100 HA MET 14 HA MET 14 -2.031 -24.645 -24.645 101 1HB MET 14 2HB MET 14 -4.123 -23.002 -23.002 102 2HB MET 14 1HB MET 14 -2.383 -22.984 -22.984 103 1HG MET 14 2HG MET 14 -2.482 -22.291 -22.291 104 2HG MET 14 1HG MET 14 -4.022 -21.636 -21.636 105 1HE MET 14 2HE MET 14 -3.954 -20.928 -20.928 106 2HE MET 14 1HE MET 14 -2.450 -20.539 -20.539 107 3HE MET 14 3HE MET 14 -3.397 -19.256 -19.256 108 H SER 15 H SER 15 -5.354 -25.504 -25.504 109 HA SER 15 HA SER 15 -5.156 -26.581 -26.581 110 1HB SER 15 2HB SER 15 -7.180 -27.816 -27.816 111 2HB SER 15 1HB SER 15 -7.291 -26.202 -26.202 112 HG SER 15 HG SER 15 -6.493 -27.235 -27.235 113 H ALA 16 H ALA 16 -4.155 -27.841 -27.841 114 HA ALA 16 HA ALA 16 -3.671 -30.500 -30.500 115 1HB ALA 16 3HB ALA 16 -4.569 -30.170 -30.170 116 2HB ALA 16 2HB ALA 16 -3.025 -29.447 -29.447 117 3HB ALA 16 1HB ALA 16 -3.093 -31.134 -31.134 118 H ILE 17 H ILE 17 -2.194 -28.882 -28.882 119 HA ILE 17 HA ILE 17 0.529 -29.496 -29.496 120 HB ILE 17 HB ILE 17 -0.145 -26.789 -26.789 121 1HG1 ILE 17 2HG1 ILE 17 0.360 -27.552 -27.552 122 2HG1 ILE 17 1HG1 ILE 17 -1.174 -27.006 -27.006 123 1HG2 ILE 17 2HG2 ILE 17 2.143 -27.706 -27.706 124 2HG2 ILE 17 1HG2 ILE 17 2.342 -27.752 -27.752 125 3HG2 ILE 17 3HG2 ILE 17 2.104 -26.209 -26.209 126 1HD1 ILE 17 2HD1 ILE 17 1.345 -25.364 -25.364 127 2HD1 ILE 17 1HD1 ILE 17 0.035 -25.256 -25.256 128 3HD1 ILE 17 3HD1 ILE 17 -0.256 -24.830 -24.830 129 H GLN 18 H GLN 18 -0.461 -31.108 -31.108 130 HA GLN 18 HA GLN 18 -0.448 -30.258 -30.258 131 1HB GLN 18 2HB GLN 18 -0.034 -33.084 -33.084 132 2HB GLN 18 1HB GLN 18 -0.725 -32.554 -32.554 133 1HG GLN 18 2HG GLN 18 -2.215 -31.506 -31.506 134 2HG GLN 18 1HG GLN 18 -2.093 -33.264 -33.264 135 1HE2 GLN 18 2HE2 GLN 18 -4.813 -33.491 -33.491 136 2HE2 GLN 18 1HE2 GLN 18 -4.054 -33.911 -33.911 137 H ASN 19 H ASN 19 1.072 -32.176 -32.176 138 HA ASN 19 HA ASN 19 3.171 -32.681 -32.681 139 1HB ASN 19 2HB ASN 19 3.493 -33.091 -33.091 140 2HB ASN 19 1HB ASN 19 4.398 -31.581 -31.581 141 1HD2 ASN 19 2HD2 ASN 19 6.288 -34.881 -34.881 142 2HD2 ASN 19 1HD2 ASN 19 4.879 -34.699 -34.699 143 H LEU 20 H LEU 20 3.568 -29.749 -29.749 144 HA LEU 20 HA LEU 20 4.319 -27.661 -27.661 145 1HB LEU 20 2HB LEU 20 3.070 -28.557 -28.557 146 2HB LEU 20 1HB LEU 20 4.144 -27.174 -27.174 147 HG LEU 20 HG LEU 20 2.789 -25.992 -25.992 148 1HD1 LEU 20 1HD1 LEU 20 1.446 -28.622 -28.622 149 2HD1 LEU 20 3HD1 LEU 20 0.416 -27.193 -27.193 150 3HD1 LEU 20 2HD1 LEU 20 1.723 -27.417 -27.417 151 1HD2 LEU 20 2HD2 LEU 20 1.502 -27.030 -27.030 152 2HD2 LEU 20 1HD2 LEU 20 2.176 -25.434 -25.434 153 3HD2 LEU 20 3HD2 LEU 20 0.646 -25.913 -25.913 154 H HIS 21 H HIS 21 6.324 -29.259 -29.259 155 HA HIS 21 HA HIS 21 8.167 -29.291 -29.291 156 1HB HIS 21 2HB HIS 21 7.824 -31.053 -31.053 157 2HB HIS 21 1HB HIS 21 9.087 -30.057 -30.057 158 HD1 HIS 21 HD1 HIS 21 11.430 -30.503 -30.503 159 HD2 HIS 21 HD2 HIS 21 8.613 -32.247 -32.247 160 HE1 HIS 21 HE1 HIS 21 12.745 -31.929 -31.929 161 HE2 HIS 21 HE2 HIS 21 11.013 -33.035 -33.035 162 H SER 22 H SER 22 10.527 -28.662 -28.662 163 HA SER 22 HA SER 22 10.777 -26.433 -26.433 164 1HB SER 22 2HB SER 22 11.265 -25.830 -25.830 165 2HB SER 22 1HB SER 22 11.178 -24.700 -24.700 166 HG SER 22 HG SER 22 9.166 -24.505 -24.505 167 H PHE 23 H PHE 23 13.056 -25.284 -25.284 168 HA PHE 23 HA PHE 23 15.004 -27.199 -27.199 169 1HB PHE 23 2HB PHE 23 14.399 -27.375 -27.375 170 2HB PHE 23 1HB PHE 23 15.724 -26.217 -26.217 171 HD1 PHE 23 HD2 PHE 23 15.110 -29.212 -29.212 172 HD2 PHE 23 HD1 PHE 23 17.601 -27.316 -27.316 173 HE1 PHE 23 HE2 PHE 23 16.722 -31.063 -31.063 174 HE2 PHE 23 HE1 PHE 23 19.216 -29.164 -29.164 175 HZ PHE 23 HZ PHE 23 18.778 -31.039 -31.039 176 H ASP 24 H ASP 24 16.736 -26.198 -26.198 177 HA ASP 24 HA ASP 24 17.230 -23.391 -23.391 178 1HB ASP 24 2HB ASP 24 17.238 -24.415 -24.415 179 2HB ASP 24 1HB ASP 24 17.450 -22.750 -22.750 180 HA PRO 25 HA PRO 25 21.037 -26.206 -26.206 181 1HB PRO 25 2HB PRO 25 21.472 -24.448 -24.448 182 2HB PRO 25 1HB PRO 25 21.736 -26.186 -26.186 183 1HG PRO 25 2HG PRO 25 19.646 -25.260 -25.260 184 2HG PRO 25 1HG PRO 25 19.497 -26.694 -26.694 185 1HD PRO 25 2HD PRO 25 18.581 -23.894 -23.894 186 2HD PRO 25 1HD PRO 25 17.806 -25.431 -25.431 187 H PHE 26 H PHE 26 20.445 -22.758 -22.758 188 HA PHE 26 HA PHE 26 23.111 -22.246 -22.246 189 1HB PHE 26 2HB PHE 26 22.227 -19.775 -19.775 190 2HB PHE 26 1HB PHE 26 23.257 -20.818 -20.818 191 HD1 PHE 26 HD1 PHE 26 21.982 -22.521 -22.521 192 HD2 PHE 26 HD2 PHE 26 20.280 -18.962 -18.962 193 HE1 PHE 26 HE1 PHE 26 20.284 -22.540 -22.540 194 HE2 PHE 26 HE2 PHE 26 18.578 -18.974 -18.974 195 HZ PHE 26 HZ PHE 26 18.578 -20.765 -20.765 196 H ALA 27 H ALA 27 20.229 -20.185 -20.185 197 HA ALA 27 HA ALA 27 19.357 -20.625 -20.625 198 1HB ALA 27 2HB ALA 27 21.683 -18.789 -18.789 199 2HB ALA 27 1HB ALA 27 20.385 -18.357 -18.357 200 3HB ALA 27 3HB ALA 27 21.226 -19.897 -19.897 201 H ASP 28 H ASP 28 17.371 -19.815 -19.815 202 HA ASP 28 HA ASP 28 16.746 -17.610 -17.610 203 1HB ASP 28 2HB ASP 28 15.235 -19.879 -19.879 204 2HB ASP 28 1HB ASP 28 14.332 -18.379 -18.379 205 H ALA 29 H ALA 29 15.624 -18.586 -18.586 206 HA ALA 29 HA ALA 29 15.983 -15.815 -15.815 207 1HB ALA 29 2HB ALA 29 13.553 -16.496 -16.496 208 2HB ALA 29 1HB ALA 29 13.515 -17.240 -17.240 209 3HB ALA 29 3HB ALA 29 13.823 -15.511 -15.511 210 H SER 30 H SER 30 17.735 -16.432 -16.432 211 HA SER 30 HA SER 30 17.206 -18.385 -18.385 212 1HB SER 30 2HB SER 30 19.464 -17.937 -17.937 213 2HB SER 30 1HB SER 30 19.944 -17.564 -17.564 214 HG SER 30 HG SER 30 19.284 -19.615 -19.615 215 H LYS 31 H LYS 31 17.657 -17.881 -17.881 216 HA LYS 31 HA LYS 31 18.681 -15.388 -15.388 217 1HB LYS 31 2HB LYS 31 16.202 -15.016 -15.016 218 2HB LYS 31 1HB LYS 31 15.795 -15.545 -15.545 219 1HG LYS 31 2HG LYS 31 17.686 -13.720 -13.720 220 2HG LYS 31 1HG LYS 31 17.034 -13.041 -13.041 221 1HD LYS 31 2HD LYS 31 14.825 -12.973 -12.973 222 2HD LYS 31 1HD LYS 31 15.335 -13.878 -13.878 223 1HE LYS 31 2HE LYS 31 16.215 -12.058 -12.058 224 2HE LYS 31 1HE LYS 31 16.836 -11.403 -11.403 225 1HZ LYS 31 2HZ LYS 31 14.142 -11.178 -11.178 226 2HZ LYS 31 1HZ LYS 31 14.385 -10.822 -10.822 227 3HZ LYS 31 3HZ LYS 31 15.194 -9.931 -9.931 228 H GLY 32 H GLY 32 19.015 -18.169 -18.169 229 1HA GLY 32 2HA GLY 32 19.754 -18.704 -18.704 230 2HA GLY 32 1HA GLY 32 18.140 -18.225 -18.225 231 H ASP 33 H ASP 33 17.183 -20.022 -20.022 232 HA ASP 33 HA ASP 33 16.453 -22.075 -22.075 233 1HB ASP 33 2HB ASP 33 18.806 -22.528 -22.528 234 2HB ASP 33 1HB ASP 33 17.631 -23.837 -23.837 235 H ASP 34 H ASP 34 15.154 -20.295 -20.295 236 HA ASP 34 HA ASP 34 13.571 -22.225 -22.225 237 1HB ASP 34 2HB ASP 34 15.498 -20.517 -20.517 238 2HB ASP 34 1HB ASP 34 13.867 -20.139 -20.139 239 H LEU 35 H LEU 35 11.990 -21.637 -21.637 240 HA LEU 35 HA LEU 35 10.841 -18.955 -18.955 241 1HB LEU 35 2HB LEU 35 11.802 -19.575 -19.575 242 2HB LEU 35 1HB LEU 35 10.398 -20.614 -20.614 243 HG LEU 35 HG LEU 35 8.923 -18.663 -18.663 244 1HD1 LEU 35 1HD1 LEU 35 11.507 -17.329 -17.329 245 2HD1 LEU 35 3HD1 LEU 35 10.319 -16.427 -16.427 246 3HD1 LEU 35 2HD1 LEU 35 9.904 -17.019 -17.019 247 1HD2 LEU 35 1HD2 LEU 35 10.932 -18.874 -18.874 248 2HD2 LEU 35 3HD2 LEU 35 9.177 -19.035 -19.035 249 3HD2 LEU 35 2HD2 LEU 35 9.912 -17.435 -17.435 250 H LEU 36 H LEU 36 9.823 -20.151 -20.151 251 HA LEU 36 HA LEU 36 7.841 -22.128 -22.128 252 1HB LEU 36 2HB LEU 36 8.529 -20.415 -20.415 253 2HB LEU 36 1HB LEU 36 7.069 -21.385 -21.385 254 HG LEU 36 HG LEU 36 8.387 -23.420 -23.420 255 1HD1 LEU 36 1HD1 LEU 36 10.679 -21.487 -21.487 256 2HD1 LEU 36 3HD1 LEU 36 10.905 -23.176 -23.176 257 3HD1 LEU 36 2HD1 LEU 36 10.243 -22.770 -22.770 258 1HD2 LEU 36 3HD2 LEU 36 8.069 -22.031 -22.031 259 2HD2 LEU 36 2HD2 LEU 36 8.888 -23.591 -23.591 260 3HD2 LEU 36 1HD2 LEU 36 9.830 -22.100 -22.100 261 HA PRO 37 HA PRO 37 4.238 -19.957 -19.957 262 1HB PRO 37 2HB PRO 37 2.869 -21.024 -21.024 263 2HB PRO 37 1HB PRO 37 2.381 -21.109 -21.109 264 1HG PRO 37 2HG PRO 37 3.394 -23.244 -23.244 265 2HG PRO 37 1HG PRO 37 3.811 -22.878 -22.878 266 1HD PRO 37 2HD PRO 37 5.430 -22.509 -22.509 267 2HD PRO 37 1HD PRO 37 5.953 -22.964 -22.964 268 H ALA 38 H ALA 38 3.556 -17.914 -17.914 269 HA ALA 38 HA ALA 38 3.933 -16.636 -16.636 270 1HB ALA 38 3HB ALA 38 5.326 -15.757 -15.757 271 2HB ALA 38 2HB ALA 38 3.855 -15.314 -15.314 272 3HB ALA 38 1HB ALA 38 4.235 -14.546 -14.546 273 H GLY 39 H GLY 39 2.357 -15.176 -15.176 274 1HA GLY 39 2HA GLY 39 -0.204 -15.122 -15.122 275 2HA GLY 39 1HA GLY 39 -0.177 -15.772 -15.772 276 H THR 40 H THR 40 0.008 -14.394 -14.394 277 HA THR 40 HA THR 40 -0.338 -11.546 -11.546 278 HB THR 40 HB THR 40 -1.221 -11.510 -11.510 279 HG1 THR 40 HG1 THR 40 -0.499 -13.656 -13.656 280 1HG2 THR 40 3HG2 THR 40 -2.775 -12.956 -12.956 281 2HG2 THR 40 2HG2 THR 40 -3.452 -12.261 -12.261 282 3HG2 THR 40 1HG2 THR 40 -2.719 -11.212 -11.212 283 H GLU 41 H GLU 41 1.867 -13.744 -13.744 284 HA GLU 41 HA GLU 41 3.887 -13.487 -13.487 285 1HB GLU 41 2HB GLU 41 3.377 -10.867 -10.867 286 2HB GLU 41 1HB GLU 41 4.525 -10.834 -10.834 287 1HG GLU 41 2HG GLU 41 6.092 -12.007 -12.007 288 2HG GLU 41 1HG GLU 41 4.900 -12.943 -12.943 289 H ASP 42 H ASP 42 1.188 -12.947 -12.947 290 HA ASP 42 HA ASP 42 0.449 -12.434 -12.434 291 1HB ASP 42 2HB ASP 42 2.618 -14.006 -14.006 292 2HB ASP 42 1HB ASP 42 3.176 -12.575 -12.575 293 H TYR 43 H TYR 43 0.081 -10.237 -10.237 294 HA TYR 43 HA TYR 43 2.030 -8.216 -8.216 295 1HB TYR 43 2HB TYR 43 -0.771 -8.121 -8.121 296 2HB TYR 43 1HB TYR 43 0.131 -6.668 -6.668 297 HD1 TYR 43 HD1 TYR 43 2.576 -8.853 -8.853 298 HD2 TYR 43 HD2 TYR 43 -0.696 -6.595 -6.595 299 HE1 TYR 43 HE1 TYR 43 3.593 -8.881 -8.881 300 HE2 TYR 43 HE2 TYR 43 0.312 -6.602 -6.602 301 HH TYR 43 HH TYR 43 3.300 -7.114 -7.114 302 H ILE 44 H ILE 44 1.124 -6.186 -6.186 303 HA ILE 44 HA ILE 44 -0.424 -6.980 -6.980 304 HB ILE 44 HB ILE 44 2.086 -5.296 -5.296 305 1HG1 ILE 44 2HG1 ILE 44 2.625 -7.646 -7.646 306 2HG1 ILE 44 1HG1 ILE 44 2.998 -7.154 -7.154 307 1HG2 ILE 44 2HG2 ILE 44 0.115 -6.071 -6.071 308 2HG2 ILE 44 1HG2 ILE 44 1.748 -5.507 -5.507 309 3HG2 ILE 44 3HG2 ILE 44 0.618 -4.451 -4.451 310 1HD1 ILE 44 3HD1 ILE 44 0.414 -8.063 -8.063 311 2HD1 ILE 44 2HD1 ILE 44 1.153 -9.166 -9.166 312 3HD1 ILE 44 1HD1 ILE 44 1.869 -8.958 -8.958 313 H HIS 45 H HIS 45 -2.175 -5.981 -5.981 314 HA HIS 45 HA HIS 45 -2.320 -3.439 -3.439 315 1HB HIS 45 2HB HIS 45 -4.164 -5.465 -5.465 316 2HB HIS 45 1HB HIS 45 -4.771 -3.872 -3.872 317 HD1 HIS 45 HD1 HIS 45 -3.735 -5.896 -5.896 318 HD2 HIS 45 HD2 HIS 45 -5.765 -2.388 -2.388 319 HE1 HIS 45 HE1 HIS 45 -4.787 -5.143 -5.143 320 HE2 HIS 45 HE2 HIS 45 -5.961 -2.987 -2.987 321 H ILE 46 H ILE 46 -2.637 -1.443 -1.443 322 HA ILE 46 HA ILE 46 -2.347 -0.958 -0.958 323 HB ILE 46 HB ILE 46 -1.958 0.937 0.937 324 1HG1 ILE 46 2HG1 ILE 46 -0.248 -0.885 -0.885 325 2HG1 ILE 46 1HG1 ILE 46 0.392 0.751 0.751 326 1HG2 ILE 46 3HG2 ILE 46 -2.136 1.374 1.374 327 2HG2 ILE 46 2HG2 ILE 46 -0.758 2.137 2.137 328 3HG2 ILE 46 1HG2 ILE 46 -2.397 2.493 2.493 329 1HD1 ILE 46 2HD1 ILE 46 0.021 0.381 0.381 330 2HD1 ILE 46 1HD1 ILE 46 0.060 -1.323 -1.323 331 3HD1 ILE 46 3HD1 ILE 46 1.440 -0.283 -0.283 332 H ARG 47 H ARG 47 -3.689 1.566 1.566 333 HA ARG 47 HA ARG 47 -5.822 2.318 2.318 334 1HB ARG 47 2HB ARG 47 -6.382 -0.265 -0.265 335 2HB ARG 47 1HB ARG 47 -7.149 0.541 0.541 336 1HG ARG 47 2HG ARG 47 -7.680 1.626 1.626 337 2HG ARG 47 1HG ARG 47 -8.416 0.080 0.080 338 1HD ARG 47 2HD ARG 47 -9.301 1.164 1.164 339 2HD ARG 47 1HD ARG 47 -8.705 2.704 2.704 340 HE ARG 47 HE ARG 47 -10.401 1.360 1.360 341 1HH1 ARG 47 2HH1 ARG 47 -10.383 3.402 3.402 342 2HH1 ARG 47 1HH1 ARG 47 -11.940 4.085 4.085 343 1HH2 ARG 47 1HH2 ARG 47 -12.447 2.258 2.258 344 2HH2 ARG 47 2HH2 ARG 47 -13.112 3.436 3.436 345 H ILE 48 H ILE 48 -6.360 4.167 4.167 346 HA ILE 48 HA ILE 48 -6.070 4.583 4.583 347 HB ILE 48 HB ILE 48 -5.788 6.400 6.400 348 1HG1 ILE 48 2HG1 ILE 48 -4.231 6.075 6.075 349 2HG1 ILE 48 1HG1 ILE 48 -3.796 5.386 5.386 350 1HG2 ILE 48 2HG2 ILE 48 -6.530 7.311 7.311 351 2HG2 ILE 48 1HG2 ILE 48 -5.844 8.363 8.363 352 3HG2 ILE 48 3HG2 ILE 48 -7.414 7.603 7.603 353 1HD1 ILE 48 2HD1 ILE 48 -4.064 8.338 8.338 354 2HD1 ILE 48 1HD1 ILE 48 -2.546 7.449 7.449 355 3HD1 ILE 48 3HD1 ILE 48 -3.369 7.535 7.535 356 H GLN 49 H GLN 49 -7.686 5.867 5.867 357 HA GLN 49 HA GLN 49 -10.264 6.094 6.094 358 1HB GLN 49 2HB GLN 49 -11.459 5.073 5.073 359 2HB GLN 49 1HB GLN 49 -10.283 3.942 3.942 360 1HG GLN 49 2HG GLN 49 -8.866 5.189 5.189 361 2HG GLN 49 1HG GLN 49 -10.490 5.112 5.112 362 1HE2 GLN 49 2HE2 GLN 49 -10.400 1.718 1.718 363 2HE2 GLN 49 1HE2 GLN 49 -11.267 3.211 3.211 364 H GLN 50 H GLN 50 -10.333 8.277 8.277 365 HA GLN 50 HA GLN 50 -9.808 9.703 9.703 366 1HB GLN 50 2HB GLN 50 -9.130 10.278 10.278 367 2HB GLN 50 1HB GLN 50 -10.542 11.297 11.297 368 1HG GLN 50 2HG GLN 50 -9.494 12.327 12.327 369 2HG GLN 50 1HG GLN 50 -8.110 11.251 11.251 370 1HE2 GLN 50 2HE2 GLN 50 -6.518 13.762 13.762 371 2HE2 GLN 50 1HE2 GLN 50 -6.567 12.737 12.737 372 H ARG 51 H ARG 51 -11.466 9.990 9.990 373 HA ARG 51 HA ARG 51 -14.176 10.141 10.141 374 1HB ARG 51 2HB ARG 51 -13.703 10.272 10.272 375 2HB ARG 51 1HB ARG 51 -14.951 9.423 9.423 376 1HG ARG 51 2HG ARG 51 -12.749 8.037 8.037 377 2HG ARG 51 1HG ARG 51 -12.309 8.509 8.509 378 1HD ARG 51 2HD ARG 51 -13.707 7.018 7.018 379 2HD ARG 51 1HD ARG 51 -15.043 7.590 7.590 380 HE ARG 51 HE ARG 51 -13.549 5.230 5.230 381 1HH1 ARG 51 2HH1 ARG 51 -14.993 7.856 7.856 382 2HH1 ARG 51 1HH1 ARG 51 -15.224 6.917 6.917 383 1HH2 ARG 51 1HH2 ARG 51 -13.851 3.993 3.993 384 2HH2 ARG 51 2HH2 ARG 51 -14.575 4.723 4.723 385 H ASN 52 H ASN 52 -15.113 12.039 12.039 386 HA ASN 52 HA ASN 52 -15.748 14.216 14.216 387 1HB ASN 52 2HB ASN 52 -15.458 13.559 13.559 388 2HB ASN 52 1HB ASN 52 -14.021 14.572 14.572 389 1HD2 ASN 52 2HD2 ASN 52 -16.154 17.154 17.154 390 2HD2 ASN 52 1HD2 ASN 52 -14.902 16.058 16.058 391 H GLY 53 H GLY 53 -13.191 13.239 13.239 392 1HA GLY 53 2HA GLY 53 -11.435 14.156 14.156 393 2HA GLY 53 1HA GLY 53 -12.247 15.701 15.701 394 H ARG 54 H ARG 54 -10.857 13.507 13.507 395 HA ARG 54 HA ARG 54 -8.521 15.034 15.034 396 1HB ARG 54 2HB ARG 54 -9.026 16.178 16.178 397 2HB ARG 54 1HB ARG 54 -10.269 16.615 16.615 398 1HG ARG 54 2HG ARG 54 -11.820 15.063 15.063 399 2HG ARG 54 1HG ARG 54 -10.570 14.545 14.545 400 1HD ARG 54 2HD ARG 54 -11.886 17.244 17.244 401 2HD ARG 54 1HD ARG 54 -11.954 16.106 16.106 402 HE ARG 54 HE ARG 54 -9.316 16.647 16.647 403 1HH1 ARG 54 2HH1 ARG 54 -12.147 18.675 18.675 404 2HH1 ARG 54 1HH1 ARG 54 -11.316 19.954 19.954 405 1HH2 ARG 54 1HH2 ARG 54 -8.222 18.329 18.329 406 2HH2 ARG 54 2HH2 ARG 54 -9.088 19.759 19.759 407 H LYS 55 H LYS 55 -10.935 12.914 12.914 408 HA LYS 55 HA LYS 55 -9.097 11.702 11.702 409 1HB LYS 55 2HB LYS 55 -11.807 10.799 10.799 410 2HB LYS 55 1HB LYS 55 -10.907 10.008 10.008 411 1HG LYS 55 2HG LYS 55 -11.668 12.908 12.908 412 2HG LYS 55 1HG LYS 55 -12.730 11.620 11.620 413 1HD LYS 55 2HD LYS 55 -11.662 11.767 11.767 414 2HD LYS 55 1HD LYS 55 -10.279 11.025 11.025 415 1HE LYS 55 2HE LYS 55 -9.331 13.162 13.162 416 2HE LYS 55 1HE LYS 55 -10.787 13.994 13.994 417 1HZ LYS 55 3HZ LYS 55 -9.036 12.358 12.358 418 2HZ LYS 55 2HZ LYS 55 -8.960 14.043 14.043 419 3HZ LYS 55 1HZ LYS 55 -10.354 13.303 13.303 420 H THR 56 H THR 56 -7.524 11.500 11.500 421 HA THR 56 HA THR 56 -7.933 9.333 9.333 422 HB THR 56 HB THR 56 -5.155 10.120 10.120 423 HG1 THR 56 HG1 THR 56 -5.635 12.146 12.146 424 1HG2 THR 56 3HG2 THR 56 -6.828 9.469 9.469 425 2HG2 THR 56 2HG2 THR 56 -5.860 10.915 10.915 426 3HG2 THR 56 1HG2 THR 56 -5.073 9.403 9.403 427 H LEU 57 H LEU 57 -7.397 7.232 7.232 428 HA LEU 57 HA LEU 57 -5.687 6.369 6.369 429 1HB LEU 57 2HB LEU 57 -8.582 5.903 5.903 430 2HB LEU 57 1HB LEU 57 -7.636 4.463 4.463 431 HG LEU 57 HG LEU 57 -7.242 6.922 6.922 432 1HD1 LEU 57 2HD1 LEU 57 -9.431 4.875 4.875 433 2HD1 LEU 57 1HD1 LEU 57 -8.903 5.923 5.923 434 3HD1 LEU 57 3HD1 LEU 57 -9.596 6.626 6.626 435 1HD2 LEU 57 1HD2 LEU 57 -6.431 4.115 4.115 436 2HD2 LEU 57 3HD2 LEU 57 -5.698 5.521 5.521 437 3HD2 LEU 57 2HD2 LEU 57 -7.055 4.700 4.700 438 H THR 58 H THR 58 -4.121 5.542 5.542 439 HA THR 58 HA THR 58 -4.677 4.031 4.031 440 HB THR 58 HB THR 58 -2.104 4.175 4.175 441 HG1 THR 58 HG1 THR 58 -3.085 6.224 6.224 442 1HG2 THR 58 2HG2 THR 58 -2.708 3.360 3.360 443 2HG2 THR 58 1HG2 THR 58 -1.107 3.893 3.893 444 3HG2 THR 58 3HG2 THR 58 -1.837 2.465 2.465 445 H THR 59 H THR 59 -4.841 1.859 1.859 446 HA THR 59 HA THR 59 -4.541 0.186 0.186 447 HB THR 59 HB THR 59 -6.194 -1.292 -1.292 448 HG1 THR 59 HG1 THR 59 -6.992 1.400 1.400 449 1HG2 THR 59 1HG2 THR 59 -6.596 0.514 0.514 450 2HG2 THR 59 3HG2 THR 59 -8.046 0.186 0.186 451 3HG2 THR 59 2HG2 THR 59 -7.132 -1.149 -1.149 452 H VAL 60 H VAL 60 -3.813 -1.971 -1.971 453 HA VAL 60 HA VAL 60 -2.336 -2.421 -2.421 454 HB VAL 60 HB VAL 60 -1.431 -3.181 -3.181 455 1HG1 VAL 60 2HG1 VAL 60 -0.776 -4.811 -4.811 456 2HG1 VAL 60 1HG1 VAL 60 -0.010 -3.508 -3.508 457 3HG1 VAL 60 3HG1 VAL 60 0.611 -3.960 -3.960 458 1HG2 VAL 60 1HG2 VAL 60 -0.825 -0.907 -0.907 459 2HG2 VAL 60 3HG2 VAL 60 -0.918 -0.963 -0.963 460 3HG2 VAL 60 2HG2 VAL 60 0.507 -1.595 -1.595 461 H GLN 61 H GLN 61 -2.972 -4.168 -4.168 462 HA GLN 61 HA GLN 61 -4.166 -6.383 -6.383 463 1HB GLN 61 2HB GLN 61 -4.929 -6.466 -6.466 464 2HB GLN 61 1HB GLN 61 -5.951 -6.372 -6.372 465 1HG GLN 61 2HG GLN 61 -5.638 -3.915 -3.915 466 2HG GLN 61 1HG GLN 61 -4.735 -4.068 -4.068 467 1HE2 GLN 61 2HE2 GLN 61 -7.974 -5.472 -5.472 468 2HE2 GLN 61 1HE2 GLN 61 -6.527 -6.261 -6.261 469 H GLY 62 H GLY 62 -3.482 -8.437 -8.437 470 1HA GLY 62 2HA GLY 62 -2.459 -10.036 -10.036 471 2HA GLY 62 1HA GLY 62 -1.394 -8.740 -8.740 472 H ILE 63 H ILE 63 -1.124 -7.846 -7.846 473 HA ILE 63 HA ILE 63 1.231 -9.311 -9.311 474 HB ILE 63 HB ILE 63 -0.328 -7.246 -7.246 475 1HG1 ILE 63 2HG1 ILE 63 0.776 -6.080 -6.080 476 2HG1 ILE 63 1HG1 ILE 63 2.008 -6.072 -6.072 477 1HG2 ILE 63 1HG2 ILE 63 1.808 -9.004 -9.004 478 2HG2 ILE 63 3HG2 ILE 63 2.077 -7.289 -7.289 479 3HG2 ILE 63 2HG2 ILE 63 0.614 -8.072 -8.072 480 1HD1 ILE 63 3HD1 ILE 63 2.866 -8.205 -8.205 481 2HD1 ILE 63 2HD1 ILE 63 1.900 -7.626 -7.626 482 3HD1 ILE 63 1HD1 ILE 63 3.197 -6.623 -6.623 483 H ALA 64 H ALA 64 1.669 -10.737 -10.737 484 HA ALA 64 HA ALA 64 -0.534 -12.427 -12.427 485 1HB ALA 64 2HB ALA 64 1.943 -13.054 -13.054 486 2HB ALA 64 1HB ALA 64 2.204 -12.815 -12.815 487 3HB ALA 64 3HB ALA 64 1.031 -14.008 -14.008 488 H ASP 65 H ASP 65 -1.364 -12.747 -12.747 489 HA ASP 65 HA ASP 65 -1.232 -10.576 -10.576 490 1HB ASP 65 2HB ASP 65 -2.640 -12.063 -12.063 491 2HB ASP 65 1HB ASP 65 -3.280 -11.810 -11.810 492 H ASP 66 H ASP 66 0.825 -13.202 -13.202 493 HA ASP 66 HA ASP 66 1.662 -13.345 -13.345 494 1HB ASP 66 2HB ASP 66 1.400 -15.373 -15.373 495 2HB ASP 66 1HB ASP 66 2.938 -14.854 -14.854 496 H TYR 67 H TYR 67 2.114 -10.928 -10.928 497 HA TYR 67 HA TYR 67 4.993 -10.887 -10.887 498 1HB TYR 67 2HB TYR 67 2.739 -9.005 -9.005 499 2HB TYR 67 1HB TYR 67 4.386 -8.393 -8.393 500 HD1 TYR 67 HD1 TYR 67 4.037 -11.807 -11.807 501 HD2 TYR 67 HD2 TYR 67 3.968 -7.738 -7.738 502 HE1 TYR 67 HE1 TYR 67 4.365 -12.510 -12.510 503 HE2 TYR 67 HE2 TYR 67 4.296 -8.422 -8.422 504 HH TYR 67 HH TYR 67 5.145 -10.296 -10.296 505 H ASP 68 H ASP 68 3.960 -11.242 -11.242 506 HA ASP 68 HA ASP 68 4.668 -10.623 -10.623 507 1HB ASP 68 2HB ASP 68 6.588 -9.514 -9.514 508 2HB ASP 68 1HB ASP 68 5.815 -8.032 -8.032 509 H LYS 69 H LYS 69 2.676 -8.788 -8.788 510 HA LYS 69 HA LYS 69 0.945 -7.378 -7.378 511 1HB LYS 69 2HB LYS 69 1.088 -9.096 -9.096 512 2HB LYS 69 1HB LYS 69 0.512 -7.505 -7.505 513 1HG LYS 69 2HG LYS 69 -1.504 -8.127 -8.127 514 2HG LYS 69 1HG LYS 69 -0.896 -8.100 -8.100 515 1HD LYS 69 2HD LYS 69 -1.540 -10.260 -10.260 516 2HD LYS 69 1HD LYS 69 -0.003 -10.519 -10.519 517 1HE LYS 69 2HE LYS 69 -2.753 -10.295 -10.295 518 2HE LYS 69 1HE LYS 69 -1.637 -11.658 -11.658 519 1HZ LYS 69 3HZ LYS 69 -0.131 -9.912 -9.912 520 2HZ LYS 69 2HZ LYS 69 -1.603 -9.142 -9.142 521 3HZ LYS 69 1HZ LYS 69 -1.340 -10.724 -10.724 522 H LYS 70 H LYS 70 2.403 -6.982 -6.982 523 HA LYS 70 HA LYS 70 2.174 -4.235 -4.235 524 1HB LYS 70 2HB LYS 70 3.306 -6.268 -6.268 525 2HB LYS 70 1HB LYS 70 4.554 -5.046 -5.046 526 1HG LYS 70 2HG LYS 70 3.356 -4.505 -4.505 527 2HG LYS 70 1HG LYS 70 2.864 -3.343 -3.343 528 1HD LYS 70 2HD LYS 70 0.889 -4.040 -4.040 529 2HD LYS 70 1HD LYS 70 0.880 -4.817 -4.817 530 1HE LYS 70 2HE LYS 70 0.549 -6.739 -6.739 531 2HE LYS 70 1HE LYS 70 2.223 -6.618 -6.618 532 1HZ LYS 70 3HZ LYS 70 1.078 -5.110 -5.110 533 2HZ LYS 70 2HZ LYS 70 -0.246 -6.100 -6.100 534 3HZ LYS 70 1HZ LYS 70 1.205 -6.788 -6.788 535 H LYS 71 H LYS 71 5.280 -5.916 -5.916 536 HA LYS 71 HA LYS 71 6.813 -3.770 -3.770 537 1HB LYS 71 2HB LYS 71 7.152 -6.507 -6.507 538 2HB LYS 71 1HB LYS 71 7.379 -6.107 -6.107 539 1HG LYS 71 2HG LYS 71 9.034 -4.369 -4.369 540 2HG LYS 71 1HG LYS 71 8.909 -5.045 -5.045 541 1HD LYS 71 2HD LYS 71 9.381 -7.037 -7.037 542 2HD LYS 71 1HD LYS 71 10.682 -5.859 -5.859 543 1HE LYS 71 2HE LYS 71 10.915 -6.393 -6.393 544 2HE LYS 71 1HE LYS 71 9.486 -7.424 -7.424 545 1HZ LYS 71 1HZ LYS 71 10.711 -8.830 -8.830 546 2HZ LYS 71 3HZ LYS 71 12.097 -7.910 -7.910 547 3HZ LYS 71 2HZ LYS 71 11.386 -8.816 -8.816 548 H LEU 72 H LEU 72 4.352 -5.331 -5.331 549 HA LEU 72 HA LEU 72 5.124 -4.450 -4.450 550 1HB LEU 72 2HB LEU 72 3.289 -6.148 -6.148 551 2HB LEU 72 1HB LEU 72 2.249 -4.739 -4.739 552 HG LEU 72 HG LEU 72 3.692 -5.937 -5.937 553 1HD1 LEU 72 1HD1 LEU 72 1.387 -6.745 -6.745 554 2HD1 LEU 72 3HD1 LEU 72 0.781 -5.343 -5.343 555 3HD1 LEU 72 2HD1 LEU 72 1.647 -6.615 -6.615 556 1HD2 LEU 72 2HD2 LEU 72 2.343 -3.274 -3.274 557 2HD2 LEU 72 1HD2 LEU 72 3.919 -3.641 -3.641 558 3HD2 LEU 72 3HD2 LEU 72 2.446 -4.080 -4.080 559 H VAL 73 H VAL 73 2.387 -3.165 -3.165 560 HA VAL 73 HA VAL 73 2.514 -0.677 -0.677 561 HB VAL 73 HB VAL 73 0.358 -1.755 -1.755 562 1HG1 VAL 73 2HG1 VAL 73 1.238 -2.331 -2.331 563 2HG1 VAL 73 1HG1 VAL 73 0.842 -0.665 -0.665 564 3HG1 VAL 73 3HG1 VAL 73 -0.426 -1.761 -1.761 565 1HG2 VAL 73 3HG2 VAL 73 1.065 0.950 0.950 566 2HG2 VAL 73 2HG2 VAL 73 -0.541 0.254 0.254 567 3HG2 VAL 73 1HG2 VAL 73 -0.016 0.775 0.775 568 H LYS 74 H LYS 74 3.221 -1.795 -1.795 569 HA LYS 74 HA LYS 74 3.547 0.579 0.579 570 1HB LYS 74 2HB LYS 74 3.783 -1.661 -1.661 571 2HB LYS 74 1HB LYS 74 5.342 -1.842 -1.842 572 1HG LYS 74 2HG LYS 74 6.376 -0.721 -0.721 573 2HG LYS 74 1HG LYS 74 5.227 0.614 0.614 574 1HD LYS 74 2HD LYS 74 4.071 -0.097 -0.097 575 2HD LYS 74 1HD LYS 74 4.132 -1.783 -1.783 576 1HE LYS 74 2HE LYS 74 6.547 -0.412 -0.412 577 2HE LYS 74 1HE LYS 74 5.326 -1.129 -1.129 578 1HZ LYS 74 3HZ LYS 74 6.349 -2.789 -2.789 579 2HZ LYS 74 2HZ LYS 74 7.402 -2.482 -2.482 580 3HZ LYS 74 1HZ LYS 74 5.908 -3.219 -3.219 581 H ALA 75 H ALA 75 5.888 -1.039 -1.039 582 HA ALA 75 HA ALA 75 8.012 0.764 0.764 583 1HB ALA 75 2HB ALA 75 7.319 -1.288 -1.288 584 2HB ALA 75 1HB ALA 75 8.530 -0.089 -0.089 585 3HB ALA 75 3HB ALA 75 8.777 -1.101 -1.101 586 H PHE 76 H PHE 76 5.178 0.852 0.852 587 HA PHE 76 HA PHE 76 5.941 2.879 2.879 588 1HB PHE 76 2HB PHE 76 3.804 1.330 1.330 589 2HB PHE 76 1HB PHE 76 3.117 2.702 2.702 590 HD1 PHE 76 HD2 PHE 76 4.451 1.522 1.522 591 HD2 PHE 76 HD1 PHE 76 2.642 4.772 4.772 592 HE1 PHE 76 HE2 PHE 76 3.979 2.627 2.627 593 HE2 PHE 76 HE1 PHE 76 2.169 5.879 5.879 594 HZ PHE 76 HZ PHE 76 2.837 4.804 4.804 595 H LYS 77 H LYS 77 4.322 3.029 3.029 596 HA LYS 77 HA LYS 77 4.068 5.858 5.858 597 1HB LYS 77 2HB LYS 77 4.113 4.001 4.001 598 2HB LYS 77 1HB LYS 77 3.369 5.592 5.592 599 1HG LYS 77 2HG LYS 77 1.833 4.665 4.665 600 2HG LYS 77 1HG LYS 77 2.492 3.071 3.071 601 1HD LYS 77 2HD LYS 77 0.451 3.369 3.369 602 2HD LYS 77 1HD LYS 77 1.809 3.389 3.389 603 1HE LYS 77 2HE LYS 77 1.441 6.051 6.051 604 2HE LYS 77 1HE LYS 77 -0.178 5.410 5.410 605 1HZ LYS 77 3HZ LYS 77 2.002 5.030 5.030 606 2HZ LYS 77 2HZ LYS 77 1.035 6.418 6.418 607 3HZ LYS 77 1HZ LYS 77 0.332 4.898 4.898 608 H LYS 78 H LYS 78 6.753 3.858 3.858 609 HA LYS 78 HA LYS 78 8.180 5.823 5.823 610 1HB LYS 78 2HB LYS 78 8.101 3.181 3.181 611 2HB LYS 78 1HB LYS 78 9.437 3.238 3.238 612 1HG LYS 78 2HG LYS 78 10.842 3.904 3.904 613 2HG LYS 78 1HG LYS 78 9.779 5.235 5.235 614 1HD LYS 78 2HD LYS 78 8.456 3.652 3.652 615 2HD LYS 78 1HD LYS 78 9.607 2.378 2.378 616 1HE LYS 78 2HE LYS 78 10.232 3.200 3.200 617 2HE LYS 78 1HE LYS 78 11.405 3.840 3.840 618 1HZ LYS 78 1HZ LYS 78 9.074 5.500 5.500 619 2HZ LYS 78 3HZ LYS 78 10.189 5.343 5.343 620 3HZ LYS 78 2HZ LYS 78 10.688 5.944 5.944 621 H LYS 79 H LYS 79 7.891 4.575 4.575 622 HA LYS 79 HA LYS 79 10.482 5.641 5.641 623 1HB LYS 79 2HB LYS 79 9.608 3.385 3.385 624 2HB LYS 79 1HB LYS 79 8.447 4.273 4.273 625 1HG LYS 79 2HG LYS 79 11.159 5.222 5.222 626 2HG LYS 79 1HG LYS 79 10.986 3.504 3.504 627 1HD LYS 79 2HD LYS 79 9.582 3.878 3.878 628 2HD LYS 79 1HD LYS 79 8.899 5.339 5.339 629 1HE LYS 79 2HE LYS 79 11.750 5.355 5.355 630 2HE LYS 79 1HE LYS 79 10.491 5.465 5.465 631 1HZ LYS 79 2HZ LYS 79 9.624 7.284 7.284 632 2HZ LYS 79 1HZ LYS 79 11.282 7.398 7.398 633 3HZ LYS 79 3HZ LYS 79 10.701 7.649 7.649 634 H PHE 80 H PHE 80 7.028 6.158 6.158 635 HA PHE 80 HA PHE 80 7.688 8.622 8.622 636 1HB PHE 80 2HB PHE 80 5.009 7.242 7.242 637 2HB PHE 80 1HB PHE 80 5.617 8.461 8.461 638 HD1 PHE 80 HD1 PHE 80 5.759 4.933 4.933 639 HD2 PHE 80 HD2 PHE 80 7.069 7.873 7.873 640 HE1 PHE 80 HE1 PHE 80 6.524 3.154 3.154 641 HE2 PHE 80 HE2 PHE 80 7.839 6.098 6.098 642 HZ PHE 80 HZ PHE 80 7.568 3.734 3.734 643 H ALA 81 H ALA 81 6.193 7.341 7.341 644 HA ALA 81 HA ALA 81 5.429 8.408 8.408 645 1HB ALA 81 2HB ALA 81 7.056 10.262 10.262 646 2HB ALA 81 1HB ALA 81 5.568 11.090 11.090 647 3HB ALA 81 3HB ALA 81 5.844 10.645 10.645 648 H CYS 82 H CYS 82 3.786 7.447 7.447 649 HA CYS 82 HA CYS 82 1.493 9.280 9.280 650 1HB CYS 82 2HB CYS 82 1.781 6.847 6.847 651 2HB CYS 82 1HB CYS 82 0.637 8.174 8.174 652 HG CYS 82 HG CYS 82 3.636 8.810 8.810 653 H ASN 83 H ASN 83 -0.562 7.508 7.508 654 HA ASN 83 HA ASN 83 -0.503 5.749 5.749 655 1HB ASN 83 2HB ASN 83 -1.939 7.365 7.365 656 2HB ASN 83 1HB ASN 83 -2.469 7.831 7.831 657 1HD2 ASN 83 2HD2 ASN 83 -4.997 5.361 5.361 658 2HD2 ASN 83 1HD2 ASN 83 -3.830 6.213 6.213 659 H GLY 84 H GLY 84 -0.741 3.684 3.684 660 1HA GLY 84 2HA GLY 84 -2.373 3.086 3.086 661 2HA GLY 84 1HA GLY 84 -0.860 2.257 2.257 662 H THR 85 H THR 85 -3.774 1.431 1.431 663 HA THR 85 HA THR 85 -3.874 -0.106 -0.106 664 HB THR 85 HB THR 85 -6.253 0.005 0.005 665 HG1 THR 85 HG1 THR 85 -7.437 0.582 0.582 666 1HG2 THR 85 2HG2 THR 85 -5.232 2.731 2.731 667 2HG2 THR 85 1HG2 THR 85 -6.776 2.390 2.390 668 3HG2 THR 85 3HG2 THR 85 -5.266 2.036 2.036 669 H VAL 86 H VAL 86 -5.506 -2.042 -2.042 670 HA VAL 86 HA VAL 86 -4.832 -3.353 -3.353 671 HB VAL 86 HB VAL 86 -3.484 -4.256 -4.256 672 1HG1 VAL 86 1HG1 VAL 86 -5.622 -3.843 -3.843 673 2HG1 VAL 86 3HG1 VAL 86 -5.746 -5.581 -5.581 674 3HG1 VAL 86 2HG1 VAL 86 -4.270 -4.898 -4.898 675 1HG2 VAL 86 3HG2 VAL 86 -5.548 -5.985 -5.985 676 2HG2 VAL 86 2HG2 VAL 86 -3.827 -5.842 -5.842 677 3HG2 VAL 86 1HG2 VAL 86 -4.362 -6.685 -6.685 678 H ILE 87 H ILE 87 -6.921 -2.713 -2.713 679 HA ILE 87 HA ILE 87 -9.271 -3.749 -3.749 680 HB ILE 87 HB ILE 87 -10.578 -2.633 -2.633 681 1HG1 ILE 87 2HG1 ILE 87 -8.533 -1.150 -1.150 682 2HG1 ILE 87 1HG1 ILE 87 -8.199 -2.870 -2.870 683 1HG2 ILE 87 2HG2 ILE 87 -9.832 -1.327 -1.327 684 2HG2 ILE 87 1HG2 ILE 87 -8.362 -0.879 -0.879 685 3HG2 ILE 87 3HG2 ILE 87 -9.933 -0.325 -0.325 686 1HD1 ILE 87 1HD1 ILE 87 -10.616 -3.109 -3.109 687 2HD1 ILE 87 3HD1 ILE 87 -10.632 -1.351 -1.351 688 3HD1 ILE 87 2HD1 ILE 87 -9.516 -2.301 -2.301 689 H GLU 88 H GLU 88 -10.807 -5.135 -5.135 690 HA GLU 88 HA GLU 88 -9.572 -7.008 -7.008 691 1HB GLU 88 2HB GLU 88 -10.527 -7.680 -7.680 692 2HB GLU 88 1HB GLU 88 -12.074 -7.633 -7.633 693 1HG GLU 88 2HG GLU 88 -11.031 -9.189 -9.189 694 2HG GLU 88 1HG GLU 88 -9.714 -9.397 -9.397 695 H HIS 89 H HIS 89 -10.110 -5.413 -5.413 696 HA HIS 89 HA HIS 89 -12.674 -4.598 -4.598 697 1HB HIS 89 2HB HIS 89 -10.262 -4.092 -4.092 698 2HB HIS 89 1HB HIS 89 -10.801 -5.269 -5.269 699 HD1 HIS 89 HD1 HIS 89 -12.339 -4.446 -4.446 700 HD2 HIS 89 HD2 HIS 89 -12.009 -1.774 -1.774 701 HE1 HIS 89 HE1 HIS 89 -13.569 -2.383 -2.383 702 HE2 HIS 89 HE2 HIS 89 -13.268 -0.740 -0.740 703 HA PRO 90 HA PRO 90 -14.532 -8.341 -8.341 704 1HB PRO 90 2HB PRO 90 -16.755 -7.331 -7.331 705 2HB PRO 90 1HB PRO 90 -16.482 -7.270 -7.270 706 1HG PRO 90 2HG PRO 90 -16.143 -5.116 -5.116 707 2HG PRO 90 1HG PRO 90 -16.821 -5.013 -5.013 708 1HD PRO 90 2HD PRO 90 -14.240 -4.299 -4.299 709 2HD PRO 90 1HD PRO 90 -14.767 -4.741 -4.741 710 H GLU 91 H GLU 91 -13.893 -5.645 -5.645 711 HA GLU 91 HA GLU 91 -14.386 -7.158 -7.158 712 1HB GLU 91 2HB GLU 91 -12.930 -4.528 -4.528 713 2HB GLU 91 1HB GLU 91 -13.787 -5.189 -5.189 714 1HG GLU 91 2HG GLU 91 -15.867 -5.072 -5.072 715 2HG GLU 91 1HG GLU 91 -14.895 -3.976 -3.976 716 H TYR 92 H TYR 92 -11.719 -6.622 -6.622 717 HA TYR 92 HA TYR 92 -9.917 -7.873 -7.873 718 1HB TYR 92 2HB TYR 92 -8.907 -6.224 -6.224 719 2HB TYR 92 1HB TYR 92 -8.122 -6.590 -6.590 720 HD1 TYR 92 HD2 TYR 92 -10.331 -5.870 -5.870 721 HD2 TYR 92 HD1 TYR 92 -8.857 -3.874 -3.874 722 HE1 TYR 92 HE2 TYR 92 -11.117 -3.727 -3.727 723 HE2 TYR 92 HE1 TYR 92 -9.639 -1.724 -1.724 724 HH TYR 92 HH TYR 92 -11.303 -0.895 -0.895 725 H GLY 93 H GLY 93 -10.607 -7.571 -7.571 726 1HA GLY 93 2HA GLY 93 -10.781 -9.379 -9.379 727 2HA GLY 93 1HA GLY 93 -9.987 -10.406 -10.406 728 H GLU 94 H GLU 94 -9.609 -8.541 -8.541 729 HA GLU 94 HA GLU 94 -7.849 -8.099 -8.099 730 1HB GLU 94 2HB GLU 94 -7.645 -10.658 -10.658 731 2HB GLU 94 1HB GLU 94 -6.232 -10.179 -10.179 732 1HG GLU 94 2HG GLU 94 -5.000 -9.812 -9.812 733 2HG GLU 94 1HG GLU 94 -6.326 -9.025 -9.025 734 H VAL 95 H VAL 95 -7.306 -6.048 -6.048 735 HA VAL 95 HA VAL 95 -4.821 -5.883 -5.883 736 HB VAL 95 HB VAL 95 -5.684 -3.987 -3.987 737 1HG1 VAL 95 1HG1 VAL 95 -5.733 -6.536 -6.536 738 2HG1 VAL 95 3HG1 VAL 95 -7.479 -6.286 -6.286 739 3HG1 VAL 95 2HG1 VAL 95 -6.467 -5.327 -5.327 740 1HG2 VAL 95 2HG2 VAL 95 -8.282 -4.775 -4.775 741 2HG2 VAL 95 1HG2 VAL 95 -7.513 -3.188 -3.188 742 3HG2 VAL 95 3HG2 VAL 95 -8.211 -3.868 -3.868 743 H ILE 96 H ILE 96 -3.535 -4.135 -4.135 744 HA ILE 96 HA ILE 96 -4.087 -2.928 -2.928 745 HB ILE 96 HB ILE 96 -1.819 -2.784 -2.784 746 1HG1 ILE 96 2HG1 ILE 96 -2.385 -4.393 -4.393 747 2HG1 ILE 96 1HG1 ILE 96 -0.769 -4.112 -4.112 748 1HG2 ILE 96 3HG2 ILE 96 -2.177 -0.920 -0.920 749 2HG2 ILE 96 2HG2 ILE 96 -0.662 -1.163 -1.163 750 3HG2 ILE 96 1HG2 ILE 96 -2.057 -0.474 -0.474 751 1HD1 ILE 96 1HD1 ILE 96 -1.889 -2.326 -2.326 752 2HD1 ILE 96 3HD1 ILE 96 -1.197 -3.895 -3.895 753 3HD1 ILE 96 2HD1 ILE 96 -0.206 -2.681 -2.681 754 H GLN 97 H GLN 97 -4.123 -0.598 -0.598 755 HA GLN 97 HA GLN 97 -5.099 0.951 0.951 756 1HB GLN 97 2HB GLN 97 -6.732 -0.030 -0.030 757 2HB GLN 97 1HB GLN 97 -6.490 1.667 1.667 758 1HG GLN 97 2HG GLN 97 -7.102 2.066 2.066 759 2HG GLN 97 1HG GLN 97 -7.789 0.445 0.445 760 1HE2 GLN 97 2HE2 GLN 97 -10.750 1.670 1.670 761 2HE2 GLN 97 1HE2 GLN 97 -9.896 0.578 0.578 762 H LEU 98 H LEU 98 -3.338 2.273 2.273 763 HA LEU 98 HA LEU 98 -2.271 3.584 3.584 764 1HB LEU 98 2HB LEU 98 -1.518 4.143 4.143 765 2HB LEU 98 1HB LEU 98 -0.583 4.460 4.460 766 HG LEU 98 HG LEU 98 -1.277 1.632 1.632 767 1HD1 LEU 98 1HD1 LEU 98 -0.255 3.092 3.092 768 2HD1 LEU 98 3HD1 LEU 98 1.229 2.643 2.643 769 3HD1 LEU 98 2HD1 LEU 98 0.127 1.391 1.391 770 1HD2 LEU 98 1HD2 LEU 98 0.072 2.733 2.733 771 2HD2 LEU 98 3HD2 LEU 98 0.449 1.135 1.135 772 3HD2 LEU 98 2HD2 LEU 98 1.401 2.533 2.533 773 H GLN 99 H GLN 99 -2.116 5.900 5.900 774 HA GLN 99 HA GLN 99 -4.560 7.186 7.186 775 1HB GLN 99 2HB GLN 99 -2.849 7.440 7.440 776 2HB GLN 99 1HB GLN 99 -3.121 9.008 9.008 777 1HG GLN 99 2HG GLN 99 -5.376 7.138 7.138 778 2HG GLN 99 1HG GLN 99 -4.733 8.271 8.271 779 1HE2 GLN 99 2HE2 GLN 99 -7.382 10.243 10.243 780 2HE2 GLN 99 1HE2 GLN 99 -6.964 9.073 9.073 781 H GLY 100 H GLY 100 -4.640 9.045 9.045 782 1HA GLY 100 2HA GLY 100 -3.890 10.750 10.750 783 2HA GLY 100 1HA GLY 100 -2.256 10.434 10.434 784 H ASP 101 H ASP 101 -2.337 11.019 11.019 785 HA ASP 101 HA ASP 101 -2.788 8.714 8.714 786 1HB ASP 101 2HB ASP 101 -1.760 10.183 10.183 787 2HB ASP 101 1HB ASP 101 -3.206 10.834 10.834 788 H GLN 102 H GLN 102 -1.399 7.191 7.191 789 HA GLN 102 HA GLN 102 1.471 7.692 7.692 790 1HB GLN 102 2HB GLN 102 -0.284 5.853 5.853 791 2HB GLN 102 1HB GLN 102 1.259 5.180 5.180 792 1HG GLN 102 2HG GLN 102 1.106 6.263 6.263 793 2HG GLN 102 1HG GLN 102 2.476 6.687 6.687 794 1HE2 GLN 102 2HE2 GLN 102 -0.486 9.497 9.497 795 2HE2 GLN 102 1HE2 GLN 102 -0.860 7.833 7.833 796 H ARG 103 H ARG 103 -0.604 6.942 6.942 797 HA ARG 103 HA ARG 103 -0.118 4.472 4.472 798 1HB ARG 103 2HB ARG 103 -0.502 5.527 5.527 799 2HB ARG 103 1HB ARG 103 -1.706 5.957 5.957 800 1HG ARG 103 2HG ARG 103 -0.573 8.098 8.098 801 2HG ARG 103 1HG ARG 103 0.617 7.665 7.665 802 1HD ARG 103 2HD ARG 103 -2.352 7.958 7.958 803 2HD ARG 103 1HD ARG 103 -1.125 9.141 9.141 804 HE ARG 103 HE ARG 103 -1.779 6.701 6.701 805 1HH1 ARG 103 2HH1 ARG 103 0.663 9.142 9.142 806 2HH1 ARG 103 1HH1 ARG 103 1.468 8.834 8.834 807 1HH2 ARG 103 1HH2 ARG 103 -0.719 6.295 6.295 808 2HH2 ARG 103 2HH2 ARG 103 0.684 7.218 7.218 809 H LYS 104 H LYS 104 2.039 7.198 7.198 810 HA LYS 104 HA LYS 104 3.981 5.836 5.836 811 1HB LYS 104 2HB LYS 104 3.448 8.231 8.231 812 2HB LYS 104 1HB LYS 104 4.094 8.627 8.627 813 1HG LYS 104 2HG LYS 104 5.966 7.075 7.075 814 2HG LYS 104 1HG LYS 104 5.487 8.567 8.567 815 1HD LYS 104 2HD LYS 104 6.566 8.349 8.349 816 2HD LYS 104 1HD LYS 104 7.466 8.907 8.907 817 1HE LYS 104 2HE LYS 104 5.385 10.565 10.565 818 2HE LYS 104 1HE LYS 104 5.356 10.268 10.268 819 1HZ LYS 104 1HZ LYS 104 7.952 10.743 10.743 820 2HZ LYS 104 3HZ LYS 104 7.276 11.740 11.740 821 3HZ LYS 104 2HZ LYS 104 6.835 11.937 11.937 822 H ASN 105 H ASN 105 3.314 6.550 6.550 823 HA ASN 105 HA ASN 105 6.068 6.118 6.118 824 1HB ASN 105 2HB ASN 105 3.543 6.989 6.989 825 2HB ASN 105 1HB ASN 105 4.771 6.222 6.222 826 1HD2 ASN 105 2HD2 ASN 105 5.100 10.049 10.049 827 2HD2 ASN 105 1HD2 ASN 105 3.671 9.096 9.096 828 H ILE 106 H ILE 106 2.962 4.436 4.436 829 HA ILE 106 HA ILE 106 3.756 2.315 2.315 830 HB ILE 106 HB ILE 106 1.396 2.823 2.823 831 1HG1 ILE 106 2HG1 ILE 106 0.638 0.552 0.552 832 2HG1 ILE 106 1HG1 ILE 106 2.109 -0.010 -0.010 833 1HG2 ILE 106 1HG2 ILE 106 1.837 3.166 3.166 834 2HG2 ILE 106 3HG2 ILE 106 1.843 1.410 1.410 835 3HG2 ILE 106 2HG2 ILE 106 0.391 2.241 2.241 836 1HD1 ILE 106 1HD1 ILE 106 2.550 1.377 1.377 837 2HD1 ILE 106 3HD1 ILE 106 1.622 -0.117 -0.117 838 3HD1 ILE 106 2HD1 ILE 106 3.226 -0.135 -0.135 839 H CYS 107 H CYS 107 3.618 2.500 2.500 840 HA CYS 107 HA CYS 107 4.698 -0.044 -0.044 841 1HB CYS 107 2HB CYS 107 5.410 0.940 0.940 842 2HB CYS 107 1HB CYS 107 3.710 1.190 1.190 843 HG CYS 107 HG CYS 107 4.227 3.677 3.677 844 H GLN 108 H GLN 108 6.086 3.012 3.012 845 HA GLN 108 HA GLN 108 8.816 2.363 2.363 846 1HB GLN 108 2HB GLN 108 8.386 4.654 4.654 847 2HB GLN 108 1HB GLN 108 7.336 4.521 4.521 848 1HG GLN 108 2HG GLN 108 9.123 5.514 5.514 849 2HG GLN 108 1HG GLN 108 9.589 3.831 3.831 850 1HE2 GLN 108 2HE2 GLN 108 12.451 4.039 4.039 851 2HE2 GLN 108 1HE2 GLN 108 11.420 3.105 3.105 852 H PHE 109 H PHE 109 6.614 2.116 2.116 853 HA PHE 109 HA PHE 109 8.544 1.360 1.360 854 1HB PHE 109 2HB PHE 109 6.325 2.262 2.262 855 2HB PHE 109 1HB PHE 109 5.560 0.837 0.837 856 HD1 PHE 109 HD2 PHE 109 8.114 1.756 1.756 857 HD2 PHE 109 HD1 PHE 109 4.987 -0.889 -0.889 858 HE1 PHE 109 HE2 PHE 109 8.269 0.623 0.623 859 HE2 PHE 109 HE1 PHE 109 5.137 -2.027 -2.027 860 HZ PHE 109 HZ PHE 109 6.780 -1.269 -1.269 861 H LEU 110 H LEU 110 6.259 -0.455 -0.455 862 HA LEU 110 HA LEU 110 6.758 -3.022 -3.022 863 1HB LEU 110 2HB LEU 110 5.871 -1.847 -1.847 864 2HB LEU 110 1HB LEU 110 6.330 -3.538 -3.538 865 HG LEU 110 HG LEU 110 4.591 -4.113 -4.113 866 1HD1 LEU 110 2HD1 LEU 110 4.903 -2.159 -2.159 867 2HD1 LEU 110 1HD1 LEU 110 3.981 -1.186 -1.186 868 3HD1 LEU 110 3HD1 LEU 110 3.214 -2.547 -2.547 869 1HD2 LEU 110 1HD2 LEU 110 4.077 -3.149 -3.149 870 2HD2 LEU 110 3HD2 LEU 110 2.857 -3.871 -3.871 871 3HD2 LEU 110 2HD2 LEU 110 3.027 -2.117 -2.117 872 H VAL 111 H VAL 111 8.659 -1.005 -1.005 873 HA VAL 111 HA VAL 111 10.521 -3.190 -3.190 874 HB VAL 111 HB VAL 111 10.357 -0.347 -0.347 875 1HG1 VAL 111 3HG1 VAL 111 12.504 -2.395 -2.395 876 2HG1 VAL 111 2HG1 VAL 111 12.291 -0.896 -0.896 877 3HG1 VAL 111 1HG1 VAL 111 12.704 -0.842 -0.842 878 1HG2 VAL 111 2HG2 VAL 111 8.884 -2.293 -2.293 879 2HG2 VAL 111 1HG2 VAL 111 9.693 -1.242 -1.242 880 3HG2 VAL 111 3HG2 VAL 111 10.362 -2.831 -2.831 881 H GLU 112 H GLU 112 10.281 -0.145 -0.145 882 HA GLU 112 HA GLU 112 12.951 0.160 0.160 883 1HB GLU 112 2HB GLU 112 11.533 2.026 2.026 884 2HB GLU 112 1HB GLU 112 10.327 1.119 1.119 885 1HG GLU 112 2HG GLU 112 11.252 1.610 1.610 886 2HG GLU 112 1HG GLU 112 12.862 1.163 1.163 887 H ILE 113 H ILE 113 10.413 -1.903 -1.903 888 HA ILE 113 HA ILE 113 12.109 -2.669 -2.669 889 HB ILE 113 HB ILE 113 10.200 -3.426 -3.426 890 1HG1 ILE 113 2HG1 ILE 113 8.679 -3.105 -3.105 891 2HG1 ILE 113 1HG1 ILE 113 9.056 -4.617 -4.617 892 1HG2 ILE 113 3HG2 ILE 113 10.463 -0.806 -0.806 893 2HG2 ILE 113 2HG2 ILE 113 8.763 -1.148 -1.148 894 3HG2 ILE 113 1HG2 ILE 113 9.422 -1.397 -1.397 895 1HD1 ILE 113 3HD1 ILE 113 7.653 -2.945 -2.945 896 2HD1 ILE 113 2HD1 ILE 113 6.775 -2.983 -2.983 897 3HD1 ILE 113 1HD1 ILE 113 7.160 -4.489 -4.489 898 H GLY 114 H GLY 114 10.557 -3.813 -3.813 899 1HA GLY 114 2HA GLY 114 11.410 -5.715 -5.715 900 2HA GLY 114 1HA GLY 114 11.901 -6.402 -6.402 901 H LEU 115 H LEU 115 8.784 -4.944 -4.944 902 HA LEU 115 HA LEU 115 7.474 -7.382 -7.382 903 1HB LEU 115 2HB LEU 115 6.916 -4.694 -4.694 904 2HB LEU 115 1HB LEU 115 5.765 -5.213 -5.213 905 HG LEU 115 HG LEU 115 4.762 -6.779 -6.779 906 1HD1 LEU 115 2HD1 LEU 115 7.242 -6.370 -6.370 907 2HD1 LEU 115 1HD1 LEU 115 5.751 -6.718 -6.718 908 3HD1 LEU 115 3HD1 LEU 115 6.347 -7.849 -7.849 909 1HD2 LEU 115 1HD2 LEU 115 4.583 -4.128 -4.128 910 2HD2 LEU 115 3HD2 LEU 115 3.667 -5.293 -5.293 911 3HD2 LEU 115 2HD2 LEU 115 5.152 -4.595 -4.595 912 H ALA 116 H ALA 116 6.661 -5.188 -5.188 913 HA ALA 116 HA ALA 116 5.828 -7.506 -7.506 914 1HB ALA 116 2HB ALA 116 4.409 -5.387 -5.387 915 2HB ALA 116 1HB ALA 116 5.499 -4.647 -4.647 916 3HB ALA 116 3HB ALA 116 4.542 -6.057 -6.057 917 H LYS 117 H LYS 117 6.361 -7.419 -7.419 918 HA LYS 117 HA LYS 117 9.201 -6.745 -6.745 919 1HB LYS 117 2HB LYS 117 7.649 -8.997 -8.997 920 2HB LYS 117 1HB LYS 117 8.205 -8.221 -8.221 921 1HG LYS 117 2HG LYS 117 9.737 -9.966 -9.966 922 2HG LYS 117 1HG LYS 117 10.496 -8.374 -8.374 923 1HD LYS 117 2HD LYS 117 9.371 -8.633 -8.633 924 2HD LYS 117 1HD LYS 117 10.186 -10.160 -10.160 925 1HE LYS 117 2HE LYS 117 12.107 -8.563 -8.563 926 2HE LYS 117 1HE LYS 117 11.311 -7.411 -7.411 927 1HZ LYS 117 1HZ LYS 117 11.829 -10.067 -10.067 928 2HZ LYS 117 3HZ LYS 117 13.180 -9.079 -9.079 929 3HZ LYS 117 2HZ LYS 117 11.925 -8.554 -8.554 930 H ASP 118 H ASP 118 9.961 -5.697 -5.697 931 HA ASP 118 HA ASP 118 8.464 -3.481 -3.481 932 1HB ASP 118 2HB ASP 118 10.174 -3.079 -3.079 933 2HB ASP 118 1HB ASP 118 10.927 -3.619 -3.619 934 H ASP 119 H ASP 119 8.538 -6.710 -6.710 935 HA ASP 119 HA ASP 119 7.234 -6.056 -6.056 936 1HB ASP 119 2HB ASP 119 8.005 -8.612 -8.612 937 2HB ASP 119 1HB ASP 119 6.919 -8.643 -8.643 938 H GLN 120 H GLN 120 6.309 -6.879 -6.879 939 HA GLN 120 HA GLN 120 3.585 -7.536 -7.536 940 1HB GLN 120 2HB GLN 120 4.667 -7.033 -7.033 941 2HB GLN 120 1HB GLN 120 3.235 -7.948 -7.948 942 1HG GLN 120 2HG GLN 120 4.759 -9.569 -9.569 943 2HG GLN 120 1HG GLN 120 6.106 -8.715 -8.715 944 1HE2 GLN 120 2HE2 GLN 120 4.491 -9.655 -9.655 945 2HE2 GLN 120 1HE2 GLN 120 4.542 -8.165 -8.165 946 H LEU 121 H LEU 121 5.378 -4.744 -4.744 947 HA LEU 121 HA LEU 121 3.715 -3.055 -3.055 948 1HB LEU 121 2HB LEU 121 5.610 -2.549 -2.549 949 2HB LEU 121 1HB LEU 121 4.721 -1.238 -1.238 950 HG LEU 121 HG LEU 121 6.586 -3.092 -3.092 951 1HD1 LEU 121 1HD1 LEU 121 7.027 -0.323 -0.323 952 2HD1 LEU 121 3HD1 LEU 121 8.085 -1.106 -1.106 953 3HD1 LEU 121 2HD1 LEU 121 7.890 -1.799 -1.799 954 1HD2 LEU 121 2HD2 LEU 121 4.806 -0.857 -0.857 955 2HD2 LEU 121 1HD2 LEU 121 5.291 -2.289 -2.289 956 3HD2 LEU 121 3HD2 LEU 121 6.396 -0.922 -0.922 957 H LYS 122 H LYS 122 1.605 -2.748 -2.748 958 HA LYS 122 HA LYS 122 0.701 -2.058 -2.058 959 1HB LYS 122 2HB LYS 122 -0.555 -4.017 -4.017 960 2HB LYS 122 1HB LYS 122 -1.484 -3.219 -3.219 961 1HG LYS 122 2HG LYS 122 0.986 -4.853 -4.853 962 2HG LYS 122 1HG LYS 122 -0.665 -5.429 -5.429 963 1HD LYS 122 2HD LYS 122 0.523 -3.079 -3.079 964 2HD LYS 122 1HD LYS 122 0.530 -4.721 -4.721 965 1HE LYS 122 2HE LYS 122 -1.670 -2.774 -2.774 966 2HE LYS 122 1HE LYS 122 -1.361 -4.014 -4.014 967 1HZ LYS 122 1HZ LYS 122 -2.392 -4.597 -4.597 968 2HZ LYS 122 3HZ LYS 122 -3.374 -4.399 -4.399 969 3HZ LYS 122 2HZ LYS 122 -2.266 -5.672 -5.672 970 H VAL 123 H VAL 123 0.927 0.133 0.133 971 HA VAL 123 HA VAL 123 -0.806 0.976 0.976 972 HB VAL 123 HB VAL 123 1.416 1.981 1.981 973 1HG1 VAL 123 1HG1 VAL 123 0.984 1.978 1.978 974 2HG1 VAL 123 3HG1 VAL 123 0.731 3.678 3.678 975 3HG1 VAL 123 2HG1 VAL 123 2.253 2.894 2.894 976 1HG2 VAL 123 1HG2 VAL 123 -0.755 3.228 3.228 977 2HG2 VAL 123 3HG2 VAL 123 0.773 4.093 4.093 978 3HG2 VAL 123 2HG2 VAL 123 -0.446 4.218 4.218 979 H HIS 124 H HIS 124 -2.853 1.577 1.577 980 HA HIS 124 HA HIS 124 -3.661 2.651 2.651 981 1HB HIS 124 2HB HIS 124 -5.379 0.972 0.972 982 2HB HIS 124 1HB HIS 124 -5.818 1.573 1.573 983 HD1 HIS 124 HD1 HIS 124 -5.160 0.171 0.171 984 HD2 HIS 124 HD2 HIS 124 -3.386 -1.099 -1.099 985 HE1 HIS 124 HE1 HIS 124 -4.059 -2.021 -2.021 986 HE2 HIS 124 HE2 HIS 124 -3.166 -2.852 -2.852 987 H GLY 125 H GLY 125 -3.115 4.727 4.727 988 1HA GLY 125 2HA GLY 125 -4.440 5.719 5.719 989 2HA GLY 125 1HA GLY 125 -3.783 6.704 6.704 990 H PHE 126 HN PHE 126 -6.515 6.079 6.079 991 HA PHE 126 HA PHE 126 -8.599 5.731 5.731 992 1HB PHE 126 2HB PHE 126 -9.999 6.769 6.769 993 2HB PHE 126 1HB PHE 126 -8.664 6.094 6.094 994 HD1 PHE 126 HD1 PHE 126 -6.556 7.998 7.998 995 HD2 PHE 126 HD2 PHE 126 -10.747 8.687 8.687 996 HE1 PHE 126 HE1 PHE 126 -6.129 10.210 10.210 997 HE2 PHE 126 HE2 PHE 126 -10.328 10.902 10.902 998 HZ PHE 126 HZ PHE 126 -8.015 11.665 11.665 Start of MODEL 26 1 1H MET 1 2H MET 1 14.991 11.366 11.366 2 2H MET 1 1H MET 1 13.399 11.030 11.030 3 3H MET 1 3H MET 1 14.634 9.855 9.855 4 HA MET 1 HA MET 1 14.809 9.601 9.601 5 1HB MET 1 2HB MET 1 13.132 8.340 8.340 6 2HB MET 1 1HB MET 1 11.917 9.503 9.503 7 1HG MET 1 2HG MET 1 12.186 8.833 8.833 8 2HG MET 1 1HG MET 1 13.506 7.751 7.751 9 1HE MET 1 1HE MET 1 12.132 6.044 6.044 10 2HE MET 1 3HE MET 1 10.596 5.318 5.318 11 3HE MET 1 2HE MET 1 10.638 6.969 6.969 12 H ARG 2 H ARG 2 15.144 12.183 12.183 13 HA ARG 2 HA ARG 2 12.944 13.126 13.126 14 1HB ARG 2 2HB ARG 2 14.738 14.535 14.535 15 2HB ARG 2 1HB ARG 2 14.282 15.396 15.396 16 1HG ARG 2 2HG ARG 2 11.875 14.453 14.453 17 2HG ARG 2 1HG ARG 2 12.694 14.720 14.720 18 1HD ARG 2 2HD ARG 2 13.330 16.987 16.987 19 2HD ARG 2 1HD ARG 2 11.699 16.648 16.648 20 HE ARG 2 HE ARG 2 11.459 16.413 16.413 21 1HH1 ARG 2 2HH1 ARG 2 12.764 18.905 18.905 22 2HH1 ARG 2 1HH1 ARG 2 12.367 20.192 20.192 23 1HH2 ARG 2 1HH2 ARG 2 10.936 18.105 18.105 24 2HH2 ARG 2 2HH2 ARG 2 11.330 19.737 19.737 25 H GLY 3 H GLY 3 15.112 11.348 11.348 26 1HA GLY 3 2HA GLY 3 15.795 12.488 12.488 27 2HA GLY 3 1HA GLY 3 17.152 12.728 12.728 28 H SER 4 H SER 4 18.459 11.391 11.391 29 HA SER 4 HA SER 4 17.835 8.767 8.767 30 1HB SER 4 2HB SER 4 20.121 8.524 8.524 31 2HB SER 4 1HB SER 4 19.769 10.235 10.235 32 HG SER 4 HG SER 4 20.614 10.528 10.528 33 H HIS 5 H HIS 5 17.632 6.958 6.958 34 HA HIS 5 HA HIS 5 19.269 6.417 6.417 35 1HB HIS 5 2HB HIS 5 17.187 7.843 7.843 36 2HB HIS 5 1HB HIS 5 16.322 6.321 6.321 37 HD1 HIS 5 HD1 HIS 5 16.671 7.747 7.747 38 HD2 HIS 5 HD2 HIS 5 19.086 4.675 4.675 39 HE1 HIS 5 HE1 HIS 5 17.685 6.692 6.692 40 HE2 HIS 5 HE2 HIS 5 19.074 4.782 4.782 41 H HIS 6 H HIS 6 19.718 4.315 4.315 42 HA HIS 6 HA HIS 6 18.743 2.518 2.518 43 1HB HIS 6 2HB HIS 6 20.692 2.498 2.498 44 2HB HIS 6 1HB HIS 6 19.652 1.113 1.113 45 HD1 HIS 6 HD1 HIS 6 21.263 -0.687 -0.687 46 HD2 HIS 6 HD2 HIS 6 20.623 2.225 2.225 47 HE1 HIS 6 HE1 HIS 6 22.335 -1.574 -1.574 48 HE2 HIS 6 HE2 HIS 6 22.005 0.241 0.241 49 H HIS 7 H HIS 7 17.001 1.249 1.249 50 HA HIS 7 HA HIS 7 15.028 1.392 1.392 51 1HB HIS 7 2HB HIS 7 14.942 0.076 0.076 52 2HB HIS 7 1HB HIS 7 13.581 0.169 0.169 53 HD1 HIS 7 HD1 HIS 7 14.516 1.672 1.672 54 HD2 HIS 7 HD2 HIS 7 13.443 3.241 3.241 55 HE1 HIS 7 HE1 HIS 7 13.774 4.031 4.031 56 HE2 HIS 7 HE2 HIS 7 13.210 4.987 4.987 57 H HIS 8 H HIS 8 14.348 -0.261 -0.261 58 HA HIS 8 HA HIS 8 14.435 -2.210 -2.210 59 1HB HIS 8 2HB HIS 8 14.574 -2.952 -2.952 60 2HB HIS 8 1HB HIS 8 15.430 -4.116 -4.116 61 HD1 HIS 8 HD1 HIS 8 12.245 -2.285 -2.285 62 HD2 HIS 8 HD2 HIS 8 13.581 -6.125 -6.125 63 HE1 HIS 8 HE1 HIS 8 10.301 -3.799 -3.799 64 HE2 HIS 8 HE2 HIS 8 11.160 -6.126 -6.126 65 H HIS 9 H HIS 9 15.956 -4.082 -4.082 66 HA HIS 9 HA HIS 9 17.935 -4.722 -4.722 67 1HB HIS 9 2HB HIS 9 19.268 -3.204 -3.204 68 2HB HIS 9 1HB HIS 9 19.901 -4.584 -4.584 69 HD1 HIS 9 HD1 HIS 9 18.724 -3.911 -3.911 70 HD2 HIS 9 HD2 HIS 9 17.778 -6.853 -6.853 71 HE1 HIS 9 HE1 HIS 9 17.695 -5.783 -5.783 72 HE2 HIS 9 HE2 HIS 9 17.205 -7.585 -7.585 73 H HIS 10 H HIS 10 17.120 -2.993 -2.993 74 HA HIS 10 HA HIS 10 19.067 -0.797 -0.797 75 1HB HIS 10 2HB HIS 10 17.384 0.113 0.113 76 2HB HIS 10 1HB HIS 10 16.898 0.130 0.130 77 HD1 HIS 10 HD1 HIS 10 14.629 -0.749 -0.749 78 HD2 HIS 10 HD2 HIS 10 16.288 -2.334 -2.334 79 HE1 HIS 10 HE1 HIS 10 12.834 -2.196 -2.196 80 HE2 HIS 10 HE2 HIS 10 13.891 -3.214 -3.214 81 H THR 11 H THR 11 17.685 -3.547 -3.547 82 HA THR 11 HA THR 11 18.895 -3.078 -3.078 83 HB THR 11 HB THR 11 18.580 -5.745 -5.745 84 HG1 THR 11 HG1 THR 11 17.050 -6.390 -6.390 85 1HG2 THR 11 1HG2 THR 11 17.143 -3.650 -3.650 86 2HG2 THR 11 3HG2 THR 11 15.959 -4.477 -4.477 87 3HG2 THR 11 2HG2 THR 11 16.790 -5.355 -5.355 88 H ASP 12 H ASP 12 20.401 -4.942 -4.942 89 HA ASP 12 HA ASP 12 22.410 -5.828 -5.828 90 1HB ASP 12 2HB ASP 12 23.075 -3.477 -3.477 91 2HB ASP 12 1HB ASP 12 23.172 -3.850 -3.850 92 HA PRO 13 HA PRO 13 21.565 -8.726 -8.726 93 1HB PRO 13 2HB PRO 13 22.690 -10.507 -10.507 94 2HB PRO 13 1HB PRO 13 21.300 -10.758 -10.758 95 1HG PRO 13 2HG PRO 13 20.954 -10.128 -10.128 96 2HG PRO 13 1HG PRO 13 19.898 -9.452 -9.452 97 1HD PRO 13 2HD PRO 13 22.135 -8.161 -8.161 98 2HD PRO 13 1HD PRO 13 20.603 -7.465 -7.465 99 H MET 14 H MET 14 24.355 -8.197 -8.197 100 HA MET 14 HA MET 14 26.241 -9.687 -9.687 101 1HB MET 14 2HB MET 14 26.556 -8.773 -8.773 102 2HB MET 14 1HB MET 14 26.764 -7.179 -7.179 103 1HG MET 14 2HG MET 14 28.588 -8.518 -8.518 104 2HG MET 14 1HG MET 14 28.595 -9.492 -9.492 105 1HE MET 14 3HE MET 14 30.849 -9.192 -9.192 106 2HE MET 14 2HE MET 14 30.220 -8.713 -8.713 107 3HE MET 14 1HE MET 14 31.527 -7.792 -7.792 108 H SER 15 H SER 15 24.725 -6.664 -6.664 109 HA SER 15 HA SER 15 26.602 -5.318 -5.318 110 1HB SER 15 2HB SER 15 24.753 -4.174 -4.174 111 2HB SER 15 1HB SER 15 24.338 -4.458 -4.458 112 HG SER 15 HG SER 15 23.122 -6.276 -6.276 113 H ALA 16 H ALA 16 24.740 -8.153 -8.153 114 HA ALA 16 HA ALA 16 26.345 -8.532 -8.532 115 1HB ALA 16 2HB ALA 16 24.457 -7.218 -7.218 116 2HB ALA 16 1HB ALA 16 23.336 -8.413 -8.413 117 3HB ALA 16 3HB ALA 16 24.437 -8.858 -8.858 118 H ILE 17 H ILE 17 27.182 -10.357 -10.357 119 HA ILE 17 HA ILE 17 25.284 -12.516 -12.516 120 HB ILE 17 HB ILE 17 28.205 -12.434 -12.434 121 1HG1 ILE 17 2HG1 ILE 17 25.832 -11.651 -11.651 122 2HG1 ILE 17 1HG1 ILE 17 26.988 -10.521 -10.521 123 1HG2 ILE 17 2HG2 ILE 17 25.885 -14.107 -14.107 124 2HG2 ILE 17 1HG2 ILE 17 27.484 -14.110 -14.110 125 3HG2 ILE 17 3HG2 ILE 17 27.286 -14.648 -14.648 126 1HD1 ILE 17 2HD1 ILE 17 28.668 -12.149 -12.149 127 2HD1 ILE 17 1HD1 ILE 17 27.238 -12.286 -12.286 128 3HD1 ILE 17 3HD1 ILE 17 27.948 -10.703 -10.703 129 H GLN 18 H GLN 18 25.448 -14.508 -14.508 130 HA GLN 18 HA GLN 18 27.331 -14.687 -14.687 131 1HB GLN 18 2HB GLN 18 24.454 -15.301 -15.301 132 2HB GLN 18 1HB GLN 18 25.402 -16.490 -16.490 133 1HG GLN 18 2HG GLN 18 25.613 -15.168 -15.168 134 2HG GLN 18 1HG GLN 18 25.987 -13.753 -13.753 135 1HE2 GLN 18 2HE2 GLN 18 22.970 -12.437 -12.437 136 2HE2 GLN 18 1HE2 GLN 18 24.696 -12.349 -12.349 137 H ASN 19 H ASN 19 28.888 -16.126 -16.126 138 HA ASN 19 HA ASN 19 28.341 -18.787 -18.787 139 1HB ASN 19 2HB ASN 19 28.520 -17.406 -17.406 140 2HB ASN 19 1HB ASN 19 30.224 -17.206 -17.206 141 1HD2 ASN 19 2HD2 ASN 19 30.359 -20.013 -20.013 142 2HD2 ASN 19 1HD2 ASN 19 30.286 -18.287 -18.287 143 H LEU 20 H LEU 20 29.238 -19.153 -19.153 144 HA LEU 20 HA LEU 20 32.080 -18.554 -18.554 145 1HB LEU 20 2HB LEU 20 29.824 -19.085 -19.085 146 2HB LEU 20 1HB LEU 20 31.316 -19.872 -19.872 147 HG LEU 20 HG LEU 20 32.431 -17.601 -17.601 148 1HD1 LEU 20 3HD1 LEU 20 29.560 -16.685 -16.685 149 2HD1 LEU 20 2HD1 LEU 20 30.965 -15.650 -15.650 150 3HD1 LEU 20 1HD1 LEU 20 30.759 -16.500 -16.500 151 1HD2 LEU 20 1HD2 LEU 20 30.447 -18.471 -18.471 152 2HD2 LEU 20 3HD2 LEU 20 32.179 -18.177 -18.177 153 3HD2 LEU 20 2HD2 LEU 20 31.053 -16.820 -16.820 154 H HIS 21 H HIS 21 29.989 -21.139 -21.139 155 HA HIS 21 HA HIS 21 30.264 -23.395 -23.395 156 1HB HIS 21 2HB HIS 21 32.690 -23.868 -23.868 157 2HB HIS 21 1HB HIS 21 31.426 -23.089 -23.089 158 HD1 HIS 21 HD1 HIS 21 31.570 -20.352 -20.352 159 HD2 HIS 21 HD2 HIS 21 35.002 -22.457 -22.457 160 HE1 HIS 21 HE1 HIS 21 33.461 -18.714 -18.714 161 HE2 HIS 21 HE2 HIS 21 35.538 -20.038 -20.038 162 H SER 22 H SER 22 30.141 -24.182 -24.182 163 HA SER 22 HA SER 22 32.728 -24.785 -24.785 164 1HB SER 22 2HB SER 22 31.574 -23.197 -23.197 165 2HB SER 22 1HB SER 22 30.077 -24.125 -24.125 166 HG SER 22 HG SER 22 30.765 -25.307 -25.307 167 H PHE 23 H PHE 23 32.353 -26.659 -26.659 168 HA PHE 23 HA PHE 23 31.086 -28.833 -28.833 169 1HB PHE 23 2HB PHE 23 32.663 -29.669 -29.669 170 2HB PHE 23 1HB PHE 23 32.804 -30.144 -30.144 171 HD1 PHE 23 HD2 PHE 23 34.323 -28.995 -28.995 172 HD2 PHE 23 HD1 PHE 23 33.973 -27.857 -27.857 173 HE1 PHE 23 HE2 PHE 23 36.408 -27.702 -27.702 174 HE2 PHE 23 HE1 PHE 23 36.057 -26.560 -26.560 175 HZ PHE 23 HZ PHE 23 37.278 -26.482 -26.482 176 H ASP 24 H ASP 24 30.300 -30.678 -30.678 177 HA ASP 24 HA ASP 24 29.296 -30.098 -30.098 178 1HB ASP 24 2HB ASP 24 27.709 -29.093 -29.093 179 2HB ASP 24 1HB ASP 24 26.807 -30.298 -30.298 180 HA PRO 25 HA PRO 25 29.497 -34.557 -34.557 181 1HB PRO 25 2HB PRO 25 30.081 -34.740 -34.740 182 2HB PRO 25 1HB PRO 25 30.930 -35.469 -35.469 183 1HG PRO 25 2HG PRO 25 31.981 -33.404 -33.404 184 2HG PRO 25 1HG PRO 25 32.150 -33.547 -33.547 185 1HD PRO 25 2HD PRO 25 30.305 -31.811 -31.811 186 2HD PRO 25 1HD PRO 25 31.201 -31.437 -31.437 187 H PHE 26 H PHE 26 27.946 -32.953 -32.953 188 HA PHE 26 HA PHE 26 25.753 -34.913 -34.913 189 1HB PHE 26 2HB PHE 26 26.292 -33.540 -33.540 190 2HB PHE 26 1HB PHE 26 25.563 -35.112 -35.112 191 HD1 PHE 26 HD1 PHE 26 28.729 -33.267 -33.267 192 HD2 PHE 26 HD2 PHE 26 26.896 -37.084 -37.084 193 HE1 PHE 26 HE1 PHE 26 30.881 -34.351 -34.351 194 HE2 PHE 26 HE2 PHE 26 29.045 -38.176 -38.176 195 HZ PHE 26 HZ PHE 26 31.040 -36.808 -36.808 196 H ALA 27 H ALA 27 26.580 -31.659 -31.659 197 HA ALA 27 HA ALA 27 25.461 -29.679 -29.679 198 1HB ALA 27 2HB ALA 27 25.281 -30.339 -30.339 199 2HB ALA 27 1HB ALA 27 23.657 -30.922 -30.922 200 3HB ALA 27 3HB ALA 27 24.053 -29.217 -29.217 201 H ASP 28 H ASP 28 24.711 -31.587 -31.587 202 HA ASP 28 HA ASP 28 21.940 -31.961 -31.961 203 1HB ASP 28 2HB ASP 28 24.072 -32.825 -32.825 204 2HB ASP 28 1HB ASP 28 23.483 -31.573 -31.573 205 H ALA 29 H ALA 29 20.338 -30.603 -30.603 206 HA ALA 29 HA ALA 29 20.801 -28.243 -28.243 207 1HB ALA 29 1HB ALA 29 20.090 -28.133 -28.133 208 2HB ALA 29 3HB ALA 29 19.530 -26.876 -26.876 209 3HB ALA 29 2HB ALA 29 21.258 -27.168 -27.168 210 H SER 30 H SER 30 19.194 -28.119 -28.119 211 HA SER 30 HA SER 30 16.455 -28.319 -28.319 212 1HB SER 30 2HB SER 30 16.203 -30.300 -30.300 213 2HB SER 30 1HB SER 30 16.418 -30.607 -30.607 214 HG SER 30 HG SER 30 17.888 -31.844 -31.844 215 H LYS 31 H LYS 31 16.844 -26.209 -26.209 216 HA LYS 31 HA LYS 31 17.150 -26.258 -26.258 217 1HB LYS 31 2HB LYS 31 16.780 -23.867 -23.867 218 2HB LYS 31 1HB LYS 31 17.328 -23.856 -23.856 219 1HG LYS 31 2HG LYS 31 19.361 -25.034 -25.034 220 2HG LYS 31 1HG LYS 31 18.810 -25.067 -25.067 221 1HD LYS 31 2HD LYS 31 20.107 -23.202 -23.202 222 2HD LYS 31 1HD LYS 31 18.608 -22.446 -22.446 223 1HE LYS 31 2HE LYS 31 19.366 -22.283 -22.283 224 2HE LYS 31 1HE LYS 31 20.658 -23.453 -23.453 225 1HZ LYS 31 3HZ LYS 31 20.726 -21.010 -21.010 226 2HZ LYS 31 2HZ LYS 31 21.090 -20.860 -20.860 227 3HZ LYS 31 1HZ LYS 31 21.999 -21.901 -21.901 228 H GLY 32 H GLY 32 14.751 -25.476 -25.476 229 1HA GLY 32 2HA GLY 32 12.434 -26.128 -26.128 230 2HA GLY 32 1HA GLY 32 12.756 -25.132 -25.132 231 H ASP 33 H ASP 33 12.965 -24.825 -24.825 232 HA ASP 33 HA ASP 33 11.526 -22.270 -22.270 233 1HB ASP 33 2HB ASP 33 14.141 -22.824 -22.824 234 2HB ASP 33 1HB ASP 33 13.046 -21.925 -21.925 235 H ASP 34 H ASP 34 10.538 -24.950 -24.950 236 HA ASP 34 HA ASP 34 9.972 -24.983 -24.983 237 1HB ASP 34 2HB ASP 34 8.806 -26.708 -26.708 238 2HB ASP 34 1HB ASP 34 8.730 -27.021 -27.021 239 H LEU 35 H LEU 35 8.279 -24.215 -24.215 240 HA LEU 35 HA LEU 35 6.090 -23.085 -23.085 241 1HB LEU 35 2HB LEU 35 5.302 -25.090 -25.090 242 2HB LEU 35 1HB LEU 35 5.895 -24.495 -24.495 243 HG LEU 35 HG LEU 35 4.246 -22.706 -22.706 244 1HD1 LEU 35 2HD1 LEU 35 3.579 -23.805 -23.805 245 2HD1 LEU 35 1HD1 LEU 35 2.442 -22.825 -22.825 246 3HD1 LEU 35 3HD1 LEU 35 3.999 -22.151 -22.151 247 1HD2 LEU 35 3HD2 LEU 35 3.720 -25.074 -25.074 248 2HD2 LEU 35 2HD2 LEU 35 2.354 -24.002 -24.002 249 3HD2 LEU 35 1HD2 LEU 35 2.791 -25.239 -25.239 250 H LEU 36 H LEU 36 6.722 -20.976 -20.976 251 HA LEU 36 HA LEU 36 7.312 -19.747 -19.747 252 1HB LEU 36 2HB LEU 36 7.510 -18.306 -18.306 253 2HB LEU 36 1HB LEU 36 8.401 -18.029 -18.029 254 HG LEU 36 HG LEU 36 8.808 -20.296 -20.296 255 1HD1 LEU 36 3HD1 LEU 36 9.685 -17.892 -17.892 256 2HD1 LEU 36 2HD1 LEU 36 10.856 -18.286 -18.286 257 3HD1 LEU 36 1HD1 LEU 36 10.774 -19.264 -19.264 258 1HD2 LEU 36 2HD2 LEU 36 9.774 -19.866 -19.866 259 2HD2 LEU 36 1HD2 LEU 36 9.308 -21.359 -21.359 260 3HD2 LEU 36 3HD2 LEU 36 10.861 -20.605 -20.605 261 HA PRO 37 HA PRO 37 3.389 -17.746 -17.746 262 1HB PRO 37 2HB PRO 37 4.033 -15.454 -15.454 263 2HB PRO 37 1HB PRO 37 3.991 -17.032 -17.032 264 1HG PRO 37 2HG PRO 37 6.340 -15.505 -15.505 265 2HG PRO 37 1HG PRO 37 6.179 -16.394 -16.394 266 1HD PRO 37 2HD PRO 37 7.454 -17.423 -17.423 267 2HD PRO 37 1HD PRO 37 6.559 -18.434 -18.434 268 H ALA 38 H ALA 38 3.194 -17.410 -17.410 269 HA ALA 38 HA ALA 38 3.880 -14.687 -14.687 270 1HB ALA 38 3HB ALA 38 4.865 -16.456 -16.456 271 2HB ALA 38 2HB ALA 38 3.263 -17.131 -17.131 272 3HB ALA 38 1HB ALA 38 3.680 -15.537 -15.537 273 H GLY 39 H GLY 39 2.119 -13.552 -13.552 274 1HA GLY 39 2HA GLY 39 -0.092 -13.189 -13.189 275 2HA GLY 39 1HA GLY 39 -0.572 -14.489 -14.489 276 H THR 40 H THR 40 -0.164 -14.027 -14.027 277 HA THR 40 HA THR 40 -1.017 -11.267 -11.267 278 HB THR 40 HB THR 40 -1.586 -12.519 -12.519 279 HG1 THR 40 HG1 THR 40 -0.769 -14.525 -14.525 280 1HG2 THR 40 2HG2 THR 40 -3.129 -11.388 -11.388 281 2HG2 THR 40 1HG2 THR 40 -3.486 -13.053 -13.053 282 3HG2 THR 40 3HG2 THR 40 -3.799 -12.508 -12.508 283 H GLU 41 H GLU 41 1.298 -13.746 -13.746 284 HA GLU 41 HA GLU 41 3.192 -13.719 -13.719 285 1HB GLU 41 2HB GLU 41 3.107 -11.266 -11.266 286 2HB GLU 41 1HB GLU 41 3.921 -11.002 -11.002 287 1HG GLU 41 2HG GLU 41 5.719 -12.173 -12.173 288 2HG GLU 41 1HG GLU 41 4.757 -13.436 -13.436 289 H ASP 42 H ASP 42 0.539 -13.032 -13.032 290 HA ASP 42 HA ASP 42 -0.301 -12.332 -12.332 291 1HB ASP 42 2HB ASP 42 2.122 -13.842 -13.842 292 2HB ASP 42 1HB ASP 42 1.883 -12.669 -12.669 293 H TYR 43 H TYR 43 0.019 -10.124 -10.124 294 HA TYR 43 HA TYR 43 2.000 -8.350 -8.350 295 1HB TYR 43 2HB TYR 43 -0.722 -7.710 -7.710 296 2HB TYR 43 1HB TYR 43 0.614 -6.579 -6.579 297 HD1 TYR 43 HD2 TYR 43 2.744 -8.730 -8.730 298 HD2 TYR 43 HD1 TYR 43 -0.912 -7.361 -7.361 299 HE1 TYR 43 HE2 TYR 43 3.552 -9.349 -9.349 300 HE2 TYR 43 HE1 TYR 43 -0.111 -7.980 -7.980 301 HH TYR 43 HH TYR 43 1.522 -9.500 -9.500 302 H ILE 44 H ILE 44 1.469 -6.323 -6.323 303 HA ILE 44 HA ILE 44 -0.346 -6.919 -6.919 304 HB ILE 44 HB ILE 44 2.243 -5.363 -5.363 305 1HG1 ILE 44 2HG1 ILE 44 2.583 -7.784 -7.784 306 2HG1 ILE 44 1HG1 ILE 44 3.034 -7.199 -7.199 307 1HG2 ILE 44 1HG2 ILE 44 0.486 -4.486 -4.486 308 2HG2 ILE 44 3HG2 ILE 44 0.389 -6.077 -6.077 309 3HG2 ILE 44 2HG2 ILE 44 1.879 -5.140 -5.140 310 1HD1 ILE 44 3HD1 ILE 44 0.548 -7.875 -7.875 311 2HD1 ILE 44 2HD1 ILE 44 0.792 -8.950 -8.950 312 3HD1 ILE 44 1HD1 ILE 44 1.861 -9.053 -9.053 313 H HIS 45 H HIS 45 -2.109 -5.743 -5.743 314 HA HIS 45 HA HIS 45 -2.203 -3.335 -3.335 315 1HB HIS 45 2HB HIS 45 -4.062 -5.100 -5.100 316 2HB HIS 45 1HB HIS 45 -4.468 -3.424 -3.424 317 HD1 HIS 45 HD1 HIS 45 -3.519 -5.393 -5.393 318 HD2 HIS 45 HD2 HIS 45 -6.138 -2.433 -2.433 319 HE1 HIS 45 HE1 HIS 45 -4.916 -4.820 -4.820 320 HE2 HIS 45 HE2 HIS 45 -6.552 -3.088 -3.088 321 H ILE 46 H ILE 46 -2.412 -1.254 -1.254 322 HA ILE 46 HA ILE 46 -2.255 -0.481 -0.481 323 HB ILE 46 HB ILE 46 -0.221 0.149 0.149 324 1HG1 ILE 46 2HG1 ILE 46 1.221 0.083 0.083 325 2HG1 ILE 46 1HG1 ILE 46 -0.216 -0.481 -0.481 326 1HG2 ILE 46 2HG2 ILE 46 -1.247 2.024 2.024 327 2HG2 ILE 46 1HG2 ILE 46 0.451 2.085 2.085 328 3HG2 ILE 46 3HG2 ILE 46 -0.828 2.350 2.350 329 1HD1 ILE 46 3HD1 ILE 46 0.210 -2.036 -2.036 330 2HD1 ILE 46 2HD1 ILE 46 1.675 -2.001 -2.001 331 3HD1 ILE 46 1HD1 ILE 46 0.152 -2.548 -2.548 332 H ARG 47 H ARG 47 -4.218 0.477 0.477 333 HA ARG 47 HA ARG 47 -4.699 2.630 2.630 334 1HB ARG 47 2HB ARG 47 -6.138 0.707 0.707 335 2HB ARG 47 1HB ARG 47 -6.759 0.753 0.753 336 1HG ARG 47 2HG ARG 47 -7.789 2.890 2.890 337 2HG ARG 47 1HG ARG 47 -7.058 2.986 2.986 338 1HD ARG 47 2HD ARG 47 -8.330 0.612 0.612 339 2HD ARG 47 1HD ARG 47 -9.402 1.462 1.462 340 HE ARG 47 HE ARG 47 -9.141 1.917 1.917 341 1HH1 ARG 47 2HH1 ARG 47 -9.693 3.571 3.571 342 2HH1 ARG 47 1HH1 ARG 47 -10.572 4.872 4.872 343 1HH2 ARG 47 1HH2 ARG 47 -10.295 3.629 3.629 344 2HH2 ARG 47 2HH2 ARG 47 -10.914 4.905 4.905 345 H ILE 48 H ILE 48 -5.810 4.441 4.441 346 HA ILE 48 HA ILE 48 -5.733 4.906 4.906 347 HB ILE 48 HB ILE 48 -5.609 6.747 6.747 348 1HG1 ILE 48 2HG1 ILE 48 -3.886 6.626 6.626 349 2HG1 ILE 48 1HG1 ILE 48 -3.525 5.749 5.749 350 1HG2 ILE 48 3HG2 ILE 48 -6.276 7.509 7.509 351 2HG2 ILE 48 2HG2 ILE 48 -5.678 8.651 8.651 352 3HG2 ILE 48 1HG2 ILE 48 -7.217 7.827 7.827 353 1HD1 ILE 48 2HD1 ILE 48 -3.809 8.737 8.737 354 2HD1 ILE 48 1HD1 ILE 48 -2.278 7.861 7.861 355 3HD1 ILE 48 3HD1 ILE 48 -3.304 7.812 7.812 356 H GLN 49 H GLN 49 -7.493 6.002 6.002 357 HA GLN 49 HA GLN 49 -10.007 6.024 6.024 358 1HB GLN 49 2HB GLN 49 -11.232 4.974 4.974 359 2HB GLN 49 1HB GLN 49 -9.879 3.937 3.937 360 1HG GLN 49 2HG GLN 49 -8.769 5.361 5.361 361 2HG GLN 49 1HG GLN 49 -10.456 5.385 5.385 362 1HE2 GLN 49 2HE2 GLN 49 -10.101 2.301 2.301 363 2HE2 GLN 49 1HE2 GLN 49 -10.665 3.933 3.933 364 H GLN 50 H GLN 50 -9.677 8.273 8.273 365 HA GLN 50 HA GLN 50 -9.777 9.794 9.794 366 1HB GLN 50 2HB GLN 50 -8.464 10.200 10.200 367 2HB GLN 50 1HB GLN 50 -9.777 11.368 11.368 368 1HG GLN 50 2HG GLN 50 -8.998 12.458 12.458 369 2HG GLN 50 1HG GLN 50 -7.967 11.104 11.104 370 1HE2 GLN 50 2HE2 GLN 50 -5.821 13.763 13.763 371 2HE2 GLN 50 1HE2 GLN 50 -6.920 13.589 13.589 372 H ARG 51 H ARG 51 -11.607 10.637 10.637 373 HA ARG 51 HA ARG 51 -14.017 10.445 10.445 374 1HB ARG 51 2HB ARG 51 -13.767 11.288 11.288 375 2HB ARG 51 1HB ARG 51 -15.236 10.815 10.815 376 1HG ARG 51 2HG ARG 51 -14.681 8.574 8.574 377 2HG ARG 51 1HG ARG 51 -12.958 8.898 8.898 378 1HD ARG 51 2HD ARG 51 -13.842 8.018 8.018 379 2HD ARG 51 1HD ARG 51 -13.423 9.714 9.714 380 HE ARG 51 HE ARG 51 -15.612 10.128 10.128 381 1HH1 ARG 51 2HH1 ARG 51 -15.432 7.140 7.140 382 2HH1 ARG 51 1HH1 ARG 51 -17.122 6.798 6.798 383 1HH2 ARG 51 1HH2 ARG 51 -17.834 9.679 9.679 384 2HH2 ARG 51 2HH2 ARG 51 -18.486 8.240 8.240 385 H ASN 52 H ASN 52 -14.785 12.114 12.114 386 HA ASN 52 HA ASN 52 -15.130 14.231 14.231 387 1HB ASN 52 2HB ASN 52 -16.204 14.247 14.247 388 2HB ASN 52 1HB ASN 52 -14.805 15.208 15.208 389 1HD2 ASN 52 2HD2 ASN 52 -16.782 17.961 17.961 390 2HD2 ASN 52 1HD2 ASN 52 -16.065 17.005 17.005 391 H GLY 53 H GLY 53 -12.347 13.229 13.229 392 1HA GLY 53 2HA GLY 53 -10.369 14.205 14.205 393 2HA GLY 53 1HA GLY 53 -11.035 15.791 15.791 394 H ARG 54 H ARG 54 -11.678 14.135 14.135 395 HA ARG 54 HA ARG 54 -9.076 14.772 14.772 396 1HB ARG 54 2HB ARG 54 -11.677 14.861 14.861 397 2HB ARG 54 1HB ARG 54 -10.146 15.624 15.624 398 1HG ARG 54 2HG ARG 54 -10.455 17.127 17.127 399 2HG ARG 54 1HG ARG 54 -12.065 16.433 16.433 400 1HD ARG 54 2HD ARG 54 -12.783 18.021 18.021 401 2HD ARG 54 1HD ARG 54 -11.992 17.111 17.111 402 HE ARG 54 HE ARG 54 -10.017 18.681 18.681 403 1HH1 ARG 54 2HH1 ARG 54 -13.179 19.280 19.280 404 2HH1 ARG 54 1HH1 ARG 54 -12.758 20.845 20.845 405 1HH2 ARG 54 1HH2 ARG 54 -9.463 20.739 20.739 406 2HH2 ARG 54 2HH2 ARG 54 -10.649 21.674 21.674 407 H LYS 55 H LYS 55 -9.396 13.730 13.730 408 HA LYS 55 HA LYS 55 -8.884 11.727 11.727 409 1HB LYS 55 2HB LYS 55 -11.693 11.824 11.824 410 2HB LYS 55 1HB LYS 55 -11.120 10.179 10.179 411 1HG LYS 55 2HG LYS 55 -12.104 11.178 11.178 412 2HG LYS 55 1HG LYS 55 -10.422 10.689 10.689 413 1HD LYS 55 2HD LYS 55 -10.615 13.422 13.422 414 2HD LYS 55 1HD LYS 55 -11.530 13.184 13.184 415 1HE LYS 55 2HE LYS 55 -9.279 11.859 11.859 416 2HE LYS 55 1HE LYS 55 -8.619 13.053 13.053 417 1HZ LYS 55 2HZ LYS 55 -10.361 14.388 14.388 418 2HZ LYS 55 1HZ LYS 55 -9.386 13.399 13.399 419 3HZ LYS 55 3HZ LYS 55 -8.678 14.523 14.523 420 H THR 56 H THR 56 -7.157 11.192 11.192 421 HA THR 56 HA THR 56 -7.804 9.272 9.272 422 HB THR 56 HB THR 56 -4.972 9.766 9.766 423 HG1 THR 56 HG1 THR 56 -5.000 11.932 11.932 424 1HG2 THR 56 3HG2 THR 56 -6.799 9.729 9.729 425 2HG2 THR 56 2HG2 THR 56 -5.391 10.784 10.784 426 3HG2 THR 56 1HG2 THR 56 -5.176 9.060 9.060 427 H LEU 57 H LEU 57 -7.523 7.128 7.128 428 HA LEU 57 HA LEU 57 -5.909 6.069 6.069 429 1HB LEU 57 2HB LEU 57 -8.801 5.798 5.798 430 2HB LEU 57 1HB LEU 57 -7.977 4.269 4.269 431 HG LEU 57 HG LEU 57 -7.715 6.618 6.618 432 1HD1 LEU 57 2HD1 LEU 57 -9.631 4.306 4.306 433 2HD1 LEU 57 1HD1 LEU 57 -9.206 5.183 5.183 434 3HD1 LEU 57 3HD1 LEU 57 -9.984 6.029 6.029 435 1HD2 LEU 57 1HD2 LEU 57 -6.598 3.894 3.894 436 2HD2 LEU 57 3HD2 LEU 57 -5.951 5.353 5.353 437 3HD2 LEU 57 2HD2 LEU 57 -7.185 4.407 4.407 438 H THR 58 H THR 58 -4.304 5.352 5.352 439 HA THR 58 HA THR 58 -4.799 3.957 3.957 440 HB THR 58 HB THR 58 -2.305 3.974 3.974 441 HG1 THR 58 HG1 THR 58 -3.245 6.042 6.042 442 1HG2 THR 58 2HG2 THR 58 -2.866 2.979 2.979 443 2HG2 THR 58 1HG2 THR 58 -1.332 3.796 3.796 444 3HG2 THR 58 3HG2 THR 58 -1.761 2.363 2.363 445 H THR 59 H THR 59 -4.784 1.791 1.791 446 HA THR 59 HA THR 59 -4.700 -0.067 -0.067 447 HB THR 59 HB THR 59 -6.373 -1.359 -1.359 448 HG1 THR 59 HG1 THR 59 -7.472 -0.038 -0.038 449 1HG2 THR 59 1HG2 THR 59 -6.993 0.567 0.567 450 2HG2 THR 59 3HG2 THR 59 -8.276 -0.274 -0.274 451 3HG2 THR 59 2HG2 THR 59 -7.056 -1.197 -1.197 452 H VAL 60 H VAL 60 -3.761 -2.051 -2.051 453 HA VAL 60 HA VAL 60 -2.404 -2.411 -2.411 454 HB VAL 60 HB VAL 60 -1.398 -3.253 -3.253 455 1HG1 VAL 60 3HG1 VAL 60 -0.773 -4.740 -4.740 456 2HG1 VAL 60 2HG1 VAL 60 0.052 -3.355 -3.355 457 3HG1 VAL 60 1HG1 VAL 60 0.589 -3.999 -3.999 458 1HG2 VAL 60 2HG2 VAL 60 -0.868 -0.897 -0.897 459 2HG2 VAL 60 1HG2 VAL 60 -1.012 -0.996 -0.996 460 3HG2 VAL 60 3HG2 VAL 60 0.455 -1.566 -1.566 461 H GLN 61 H GLN 61 -2.931 -4.178 -4.178 462 HA GLN 61 HA GLN 61 -4.086 -6.449 -6.449 463 1HB GLN 61 2HB GLN 61 -4.777 -6.396 -6.396 464 2HB GLN 61 1HB GLN 61 -5.818 -6.569 -6.569 465 1HG GLN 61 2HG GLN 61 -6.061 -4.242 -4.242 466 2HG GLN 61 1HG GLN 61 -4.734 -3.919 -3.919 467 1HE2 GLN 61 2HE2 GLN 61 -7.907 -5.542 -5.542 468 2HE2 GLN 61 1HE2 GLN 61 -7.120 -6.371 -6.371 469 H GLY 62 H GLY 62 -3.317 -8.454 -8.454 470 1HA GLY 62 2HA GLY 62 -2.251 -9.989 -9.989 471 2HA GLY 62 1HA GLY 62 -1.195 -8.657 -8.657 472 H ILE 63 H ILE 63 -0.988 -7.833 -7.833 473 HA ILE 63 HA ILE 63 1.378 -9.206 -9.206 474 HB ILE 63 HB ILE 63 -0.390 -7.433 -7.433 475 1HG1 ILE 63 2HG1 ILE 63 0.515 -6.129 -6.129 476 2HG1 ILE 63 1HG1 ILE 63 1.617 -5.862 -5.862 477 1HG2 ILE 63 2HG2 ILE 63 1.877 -9.052 -9.052 478 2HG2 ILE 63 1HG2 ILE 63 2.160 -7.339 -7.339 479 3HG2 ILE 63 3HG2 ILE 63 0.749 -8.136 -8.136 480 1HD1 ILE 63 1HD1 ILE 63 2.879 -7.893 -7.893 481 2HD1 ILE 63 3HD1 ILE 63 2.048 -7.263 -7.263 482 3HD1 ILE 63 2HD1 ILE 63 3.130 -6.219 -6.219 483 H ALA 64 H ALA 64 1.847 -10.758 -10.758 484 HA ALA 64 HA ALA 64 -0.317 -12.574 -12.574 485 1HB ALA 64 2HB ALA 64 1.972 -13.257 -13.257 486 2HB ALA 64 1HB ALA 64 2.568 -12.921 -12.921 487 3HB ALA 64 3HB ALA 64 1.340 -14.163 -14.163 488 H ASP 65 H ASP 65 -1.252 -12.855 -12.855 489 HA ASP 65 HA ASP 65 -0.929 -10.993 -10.993 490 1HB ASP 65 2HB ASP 65 -2.924 -12.569 -12.569 491 2HB ASP 65 1HB ASP 65 -2.073 -13.733 -13.733 492 H ASP 66 H ASP 66 0.841 -13.818 -13.818 493 HA ASP 66 HA ASP 66 1.749 -14.537 -14.537 494 1HB ASP 66 2HB ASP 66 2.745 -15.059 -15.059 495 2HB ASP 66 1HB ASP 66 3.686 -15.566 -15.566 496 H TYR 67 H TYR 67 2.571 -11.962 -11.962 497 HA TYR 67 HA TYR 67 5.201 -11.412 -11.412 498 1HB TYR 67 2HB TYR 67 2.850 -9.563 -9.563 499 2HB TYR 67 1HB TYR 67 4.495 -8.961 -8.961 500 HD1 TYR 67 HD2 TYR 67 4.327 -12.128 -12.128 501 HD2 TYR 67 HD1 TYR 67 3.953 -7.932 -7.932 502 HE1 TYR 67 HE2 TYR 67 4.686 -12.439 -12.439 503 HE2 TYR 67 HE1 TYR 67 4.309 -8.230 -8.230 504 HH TYR 67 HH TYR 67 5.511 -11.049 -11.049 505 H ASP 68 H ASP 68 5.945 -9.454 -9.454 506 HA ASP 68 HA ASP 68 5.866 -10.146 -10.146 507 1HB ASP 68 2HB ASP 68 6.636 -7.720 -7.720 508 2HB ASP 68 1HB ASP 68 7.632 -8.744 -8.744 509 H LYS 69 H LYS 69 3.608 -8.240 -8.240 510 HA LYS 69 HA LYS 69 1.582 -7.351 -7.351 511 1HB LYS 69 2HB LYS 69 1.827 -9.604 -9.604 512 2HB LYS 69 1HB LYS 69 1.276 -8.327 -8.327 513 1HG LYS 69 2HG LYS 69 -0.496 -7.863 -7.863 514 2HG LYS 69 1HG LYS 69 -0.069 -9.459 -9.459 515 1HD LYS 69 2HD LYS 69 -1.255 -10.466 -10.466 516 2HD LYS 69 1HD LYS 69 -0.448 -9.537 -9.537 517 1HE LYS 69 2HE LYS 69 -2.125 -7.681 -7.681 518 2HE LYS 69 1HE LYS 69 -3.076 -9.163 -9.163 519 1HZ LYS 69 3HZ LYS 69 -2.168 -9.327 -9.327 520 2HZ LYS 69 2HZ LYS 69 -2.241 -7.645 -7.645 521 3HZ LYS 69 1HZ LYS 69 -3.630 -8.578 -8.578 522 H LYS 70 H LYS 70 2.929 -7.487 -7.487 523 HA LYS 70 HA LYS 70 2.166 -4.911 -4.911 524 1HB LYS 70 2HB LYS 70 4.368 -6.704 -6.704 525 2HB LYS 70 1HB LYS 70 4.032 -5.136 -5.136 526 1HG LYS 70 2HG LYS 70 2.494 -6.080 -6.080 527 2HG LYS 70 1HG LYS 70 1.567 -6.484 -6.484 528 1HD LYS 70 2HD LYS 70 1.849 -8.603 -8.603 529 2HD LYS 70 1HD LYS 70 3.438 -8.440 -8.440 530 1HE LYS 70 2HE LYS 70 4.515 -8.338 -8.338 531 2HE LYS 70 1HE LYS 70 3.195 -7.477 -7.477 532 1HZ LYS 70 2HZ LYS 70 2.889 -10.312 -10.312 533 2HZ LYS 70 1HZ LYS 70 3.688 -9.889 -9.889 534 3HZ LYS 70 3HZ LYS 70 2.075 -9.432 -9.432 535 H LYS 71 H LYS 71 5.462 -5.994 -5.994 536 HA LYS 71 HA LYS 71 6.570 -3.425 -3.425 537 1HB LYS 71 2HB LYS 71 7.635 -5.865 -5.865 538 2HB LYS 71 1HB LYS 71 7.630 -5.609 -5.609 539 1HG LYS 71 2HG LYS 71 9.628 -4.674 -4.674 540 2HG LYS 71 1HG LYS 71 8.698 -3.271 -3.271 541 1HD LYS 71 2HD LYS 71 9.063 -5.247 -5.247 542 2HD LYS 71 1HD LYS 71 10.590 -4.619 -4.619 543 1HE LYS 71 2HE LYS 71 8.382 -2.719 -2.719 544 2HE LYS 71 1HE LYS 71 9.336 -3.405 -3.405 545 1HZ LYS 71 3HZ LYS 71 10.645 -2.143 -2.143 546 2HZ LYS 71 2HZ LYS 71 10.097 -1.208 -1.208 547 3HZ LYS 71 1HZ LYS 71 11.264 -2.405 -2.405 548 H LEU 72 H LEU 72 4.562 -5.211 -5.211 549 HA LEU 72 HA LEU 72 5.260 -4.161 -4.161 550 1HB LEU 72 2HB LEU 72 3.501 -5.964 -5.964 551 2HB LEU 72 1HB LEU 72 2.393 -4.606 -4.606 552 HG LEU 72 HG LEU 72 3.945 -5.553 -5.553 553 1HD1 LEU 72 3HD1 LEU 72 1.963 -6.903 -6.903 554 2HD1 LEU 72 2HD1 LEU 72 0.971 -5.472 -5.472 555 3HD1 LEU 72 1HD1 LEU 72 1.844 -6.215 -6.215 556 1HD2 LEU 72 2HD2 LEU 72 2.371 -3.081 -3.081 557 2HD2 LEU 72 1HD2 LEU 72 3.849 -3.296 -3.296 558 3HD2 LEU 72 3HD2 LEU 72 2.300 -3.809 -3.809 559 H VAL 73 H VAL 73 2.538 -3.024 -3.024 560 HA VAL 73 HA VAL 73 2.555 -0.488 -0.488 561 HB VAL 73 HB VAL 73 0.681 -0.007 -0.007 562 1HG1 VAL 73 1HG1 VAL 73 0.383 -1.796 -1.796 563 2HG1 VAL 73 3HG1 VAL 73 -0.969 -1.048 -1.048 564 3HG1 VAL 73 2HG1 VAL 73 0.241 -0.039 -0.039 565 1HG2 VAL 73 2HG2 VAL 73 1.205 -2.139 -2.139 566 2HG2 VAL 73 1HG2 VAL 73 -0.486 -1.930 -1.930 567 3HG2 VAL 73 3HG2 VAL 73 0.548 -3.012 -3.012 568 H LYS 74 H LYS 74 3.598 -1.777 -1.777 569 HA LYS 74 HA LYS 74 3.749 0.555 0.555 570 1HB LYS 74 2HB LYS 74 4.113 -1.696 -1.696 571 2HB LYS 74 1HB LYS 74 5.625 -1.814 -1.814 572 1HG LYS 74 2HG LYS 74 6.566 0.004 0.004 573 2HG LYS 74 1HG LYS 74 5.034 0.222 0.222 574 1HD LYS 74 2HD LYS 74 5.797 -2.512 -2.512 575 2HD LYS 74 1HD LYS 74 7.187 -1.514 -1.514 576 1HE LYS 74 2HE LYS 74 6.286 -1.118 -1.118 577 2HE LYS 74 1HE LYS 74 4.894 -0.367 -0.367 578 1HZ LYS 74 2HZ LYS 74 5.131 -3.296 -3.296 579 2HZ LYS 74 1HZ LYS 74 4.396 -2.279 -2.279 580 3HZ LYS 74 3HZ LYS 74 3.752 -2.415 -2.415 581 H ALA 75 H ALA 75 6.072 -0.835 -0.835 582 HA ALA 75 HA ALA 75 8.102 1.092 1.092 583 1HB ALA 75 1HB ALA 75 7.572 -1.020 -1.020 584 2HB ALA 75 3HB ALA 75 8.684 0.267 0.267 585 3HB ALA 75 2HB ALA 75 9.014 -0.706 -0.706 586 H PHE 76 H PHE 76 5.285 0.991 0.991 587 HA PHE 76 HA PHE 76 5.926 3.036 3.036 588 1HB PHE 76 2HB PHE 76 3.867 1.395 1.395 589 2HB PHE 76 1HB PHE 76 3.123 2.735 2.735 590 HD1 PHE 76 HD1 PHE 76 4.563 1.665 1.665 591 HD2 PHE 76 HD2 PHE 76 2.443 4.718 4.718 592 HE1 PHE 76 HE1 PHE 76 4.028 2.737 2.737 593 HE2 PHE 76 HE2 PHE 76 1.898 5.797 5.797 594 HZ PHE 76 HZ PHE 76 2.691 4.806 4.806 595 H LYS 77 H LYS 77 4.042 3.224 3.224 596 HA LYS 77 HA LYS 77 3.705 5.995 5.995 597 1HB LYS 77 2HB LYS 77 3.917 4.141 4.141 598 2HB LYS 77 1HB LYS 77 3.171 5.733 5.733 599 1HG LYS 77 2HG LYS 77 1.237 4.804 4.804 600 2HG LYS 77 1HG LYS 77 1.941 4.235 4.235 601 1HD LYS 77 2HD LYS 77 1.261 2.245 2.245 602 2HD LYS 77 1HD LYS 77 2.910 2.335 2.335 603 1HE LYS 77 2HE LYS 77 1.944 1.970 1.970 604 2HE LYS 77 1HE LYS 77 1.543 3.685 3.685 605 1HZ LYS 77 1HZ LYS 77 -0.319 1.859 1.859 606 2HZ LYS 77 3HZ LYS 77 -0.265 1.799 1.799 607 3HZ LYS 77 2HZ LYS 77 -0.623 3.253 3.253 608 H LYS 78 H LYS 78 6.518 4.129 4.129 609 HA LYS 78 HA LYS 78 7.805 6.267 6.267 610 1HB LYS 78 2HB LYS 78 8.687 3.471 3.471 611 2HB LYS 78 1HB LYS 78 9.713 4.626 4.626 612 1HG LYS 78 2HG LYS 78 7.151 4.412 4.412 613 2HG LYS 78 1HG LYS 78 7.903 2.826 2.826 614 1HD LYS 78 2HD LYS 78 9.585 3.321 3.321 615 2HD LYS 78 1HD LYS 78 9.675 5.004 5.004 616 1HE LYS 78 2HE LYS 78 7.229 4.911 4.911 617 2HE LYS 78 1HE LYS 78 8.169 3.787 3.787 618 1HZ LYS 78 1HZ LYS 78 9.374 6.371 6.371 619 2HZ LYS 78 3HZ LYS 78 8.146 6.349 6.349 620 3HZ LYS 78 2HZ LYS 78 9.545 5.427 5.427 621 H LYS 79 H LYS 79 7.611 5.034 5.034 622 HA LYS 79 HA LYS 79 10.063 6.439 6.439 623 1HB LYS 79 2HB LYS 79 9.682 4.055 4.055 624 2HB LYS 79 1HB LYS 79 8.355 4.633 4.633 625 1HG LYS 79 2HG LYS 79 10.026 6.152 6.152 626 2HG LYS 79 1HG LYS 79 11.282 5.246 5.246 627 1HD LYS 79 2HD LYS 79 10.600 3.202 3.202 628 2HD LYS 79 1HD LYS 79 9.213 4.006 4.006 629 1HE LYS 79 2HE LYS 79 11.120 3.678 3.678 630 2HE LYS 79 1HE LYS 79 10.647 5.365 5.365 631 1HZ LYS 79 2HZ LYS 79 12.741 4.351 4.351 632 2HZ LYS 79 1HZ LYS 79 13.151 4.573 4.573 633 3HZ LYS 79 3HZ LYS 79 12.571 5.875 5.875 634 H PHE 80 H PHE 80 6.587 6.488 6.488 635 HA PHE 80 HA PHE 80 6.889 8.859 8.859 636 1HB PHE 80 2HB PHE 80 4.466 7.067 7.067 637 2HB PHE 80 1HB PHE 80 4.779 8.344 8.344 638 HD1 PHE 80 HD2 PHE 80 5.567 4.923 4.923 639 HD2 PHE 80 HD1 PHE 80 6.310 8.002 8.002 640 HE1 PHE 80 HE2 PHE 80 6.604 3.276 3.276 641 HE2 PHE 80 HE1 PHE 80 7.351 6.362 6.362 642 HZ PHE 80 HZ PHE 80 7.500 3.997 3.997 643 H ALA 81 H ALA 81 5.747 7.726 7.726 644 HA ALA 81 HA ALA 81 4.846 8.848 8.848 645 1HB ALA 81 3HB ALA 81 6.130 10.826 10.826 646 2HB ALA 81 2HB ALA 81 4.471 11.410 11.410 647 3HB ALA 81 1HB ALA 81 5.169 11.078 11.078 648 H CYS 82 H CYS 82 3.295 7.554 7.554 649 HA CYS 82 HA CYS 82 0.773 9.053 9.053 650 1HB CYS 82 2HB CYS 82 1.374 6.666 6.666 651 2HB CYS 82 1HB CYS 82 0.011 7.771 7.771 652 HG CYS 82 HG CYS 82 2.922 8.489 8.489 653 H ASN 83 H ASN 83 -1.023 6.986 6.986 654 HA ASN 83 HA ASN 83 -0.675 5.376 5.376 655 1HB ASN 83 2HB ASN 83 -2.424 6.672 6.672 656 2HB ASN 83 1HB ASN 83 -2.938 7.037 7.037 657 1HD2 ASN 83 2HD2 ASN 83 -5.101 4.270 4.270 658 2HD2 ASN 83 1HD2 ASN 83 -4.086 5.351 5.351 659 H GLY 84 H GLY 84 -0.481 3.286 3.286 660 1HA GLY 84 2HA GLY 84 -1.703 2.223 2.223 661 2HA GLY 84 1HA GLY 84 -0.260 1.568 1.568 662 H THR 85 H THR 85 -3.459 1.035 1.035 663 HA THR 85 HA THR 85 -3.643 -0.631 -0.631 664 HB THR 85 HB THR 85 -6.088 -0.272 -0.272 665 HG1 THR 85 HG1 THR 85 -6.252 0.268 0.268 666 1HG2 THR 85 1HG2 THR 85 -4.151 1.753 1.753 667 2HG2 THR 85 3HG2 THR 85 -5.680 2.474 2.474 668 3HG2 THR 85 2HG2 THR 85 -5.646 1.322 1.322 669 H VAL 86 H VAL 86 -4.471 -2.687 -2.687 670 HA VAL 86 HA VAL 86 -4.611 -3.698 -3.698 671 HB VAL 86 HB VAL 86 -4.792 -5.661 -5.661 672 1HG1 VAL 86 3HG1 VAL 86 -4.143 -5.687 -5.687 673 2HG1 VAL 86 2HG1 VAL 86 -2.531 -5.631 -5.631 674 3HG1 VAL 86 1HG1 VAL 86 -3.638 -6.938 -6.938 675 1HG2 VAL 86 2HG2 VAL 86 -2.548 -3.711 -3.711 676 2HG2 VAL 86 1HG2 VAL 86 -3.372 -4.499 -4.499 677 3HG2 VAL 86 3HG2 VAL 86 -2.220 -5.404 -5.404 678 H ILE 87 H ILE 87 -6.656 -3.436 -3.436 679 HA ILE 87 HA ILE 87 -8.839 -4.448 -4.448 680 HB ILE 87 HB ILE 87 -10.323 -2.902 -2.902 681 1HG1 ILE 87 2HG1 ILE 87 -10.038 -3.362 -3.362 682 2HG1 ILE 87 1HG1 ILE 87 -10.046 -1.626 -1.626 683 1HG2 ILE 87 2HG2 ILE 87 -8.004 -1.938 -1.938 684 2HG2 ILE 87 1HG2 ILE 87 -8.126 -1.032 -1.032 685 3HG2 ILE 87 3HG2 ILE 87 -9.434 -0.962 -0.962 686 1HD1 ILE 87 3HD1 ILE 87 -7.402 -2.125 -2.125 687 2HD1 ILE 87 2HD1 ILE 87 -7.922 -3.363 -3.363 688 3HD1 ILE 87 1HD1 ILE 87 -8.265 -1.665 -1.665 689 H GLU 88 H GLU 88 -10.560 -5.603 -5.603 690 HA GLU 88 HA GLU 88 -9.610 -7.189 -7.189 691 1HB GLU 88 2HB GLU 88 -10.651 -8.048 -8.048 692 2HB GLU 88 1HB GLU 88 -12.139 -7.887 -7.887 693 1HG GLU 88 2HG GLU 88 -11.485 -9.482 -9.482 694 2HG GLU 88 1HG GLU 88 -9.788 -9.377 -9.377 695 H HIS 89 H HIS 89 -10.038 -5.341 -5.341 696 HA HIS 89 HA HIS 89 -12.441 -4.112 -4.112 697 1HB HIS 89 2HB HIS 89 -10.050 -3.954 -3.954 698 2HB HIS 89 1HB HIS 89 -10.846 -4.939 -4.939 699 HD1 HIS 89 HD1 HIS 89 -12.215 -3.722 -3.722 700 HD2 HIS 89 HD2 HIS 89 -11.424 -1.406 -1.406 701 HE1 HIS 89 HE1 HIS 89 -13.122 -1.438 -1.438 702 HE2 HIS 89 HE2 HIS 89 -12.552 -0.029 -0.029 703 HA PRO 90 HA PRO 90 -15.068 -7.356 -7.356 704 1HB PRO 90 2HB PRO 90 -17.118 -5.877 -5.877 705 2HB PRO 90 1HB PRO 90 -16.766 -6.019 -6.019 706 1HG PRO 90 2HG PRO 90 -16.099 -3.799 -3.799 707 2HG PRO 90 1HG PRO 90 -16.707 -3.707 -3.707 708 1HD PRO 90 2HD PRO 90 -14.070 -3.391 -3.391 709 2HD PRO 90 1HD PRO 90 -14.619 -3.955 -3.955 710 H GLU 91 H GLU 91 -13.862 -4.797 -4.797 711 HA GLU 91 HA GLU 91 -14.862 -5.898 -5.898 712 1HB GLU 91 2HB GLU 91 -13.751 -3.438 -3.438 713 2HB GLU 91 1HB GLU 91 -12.699 -4.067 -4.067 714 1HG GLU 91 2HG GLU 91 -15.641 -4.050 -4.050 715 2HG GLU 91 1HG GLU 91 -14.738 -2.540 -2.540 716 H TYR 92 H TYR 92 -12.054 -6.272 -6.272 717 HA TYR 92 HA TYR 92 -10.783 -7.870 -7.870 718 1HB TYR 92 2HB TYR 92 -9.224 -6.716 -6.716 719 2HB TYR 92 1HB TYR 92 -8.668 -7.173 -7.173 720 HD1 TYR 92 HD1 TYR 92 -10.572 -5.762 -5.762 721 HD2 TYR 92 HD2 TYR 92 -8.653 -4.464 -4.464 722 HE1 TYR 92 HE1 TYR 92 -10.796 -3.430 -3.430 723 HE2 TYR 92 HE2 TYR 92 -8.867 -2.126 -2.126 724 HH TYR 92 HH TYR 92 -9.095 -0.972 -0.972 725 H GLY 93 H GLY 93 -11.137 -7.584 -7.584 726 1HA GLY 93 2HA GLY 93 -11.987 -9.576 -9.576 727 2HA GLY 93 1HA GLY 93 -10.945 -10.532 -10.532 728 H GLU 94 H GLU 94 -8.918 -8.193 -8.193 729 HA GLU 94 HA GLU 94 -8.169 -8.101 -8.101 730 1HB GLU 94 2HB GLU 94 -7.887 -10.524 -10.524 731 2HB GLU 94 1HB GLU 94 -6.824 -10.345 -10.345 732 1HG GLU 94 2HG GLU 94 -5.065 -9.611 -9.611 733 2HG GLU 94 1HG GLU 94 -6.104 -8.965 -8.965 734 H VAL 95 H VAL 95 -7.150 -6.197 -6.197 735 HA VAL 95 HA VAL 95 -4.760 -5.977 -5.977 736 HB VAL 95 HB VAL 95 -5.467 -3.896 -3.896 737 1HG1 VAL 95 1HG1 VAL 95 -5.633 -6.144 -6.144 738 2HG1 VAL 95 3HG1 VAL 95 -7.338 -6.172 -6.172 739 3HG1 VAL 95 2HG1 VAL 95 -6.736 -4.934 -4.934 740 1HG2 VAL 95 2HG2 VAL 95 -7.231 -3.264 -3.264 741 2HG2 VAL 95 1HG2 VAL 95 -7.806 -3.262 -3.262 742 3HG2 VAL 95 3HG2 VAL 95 -8.224 -4.596 -4.596 743 H ILE 96 H ILE 96 -3.483 -4.102 -4.102 744 HA ILE 96 HA ILE 96 -3.935 -3.203 -3.203 745 HB ILE 96 HB ILE 96 -1.587 -3.567 -3.567 746 1HG1 ILE 96 2HG1 ILE 96 -2.213 -4.774 -4.774 747 2HG1 ILE 96 1HG1 ILE 96 -0.557 -4.181 -4.181 748 1HG2 ILE 96 3HG2 ILE 96 -1.728 -1.109 -1.109 749 2HG2 ILE 96 2HG2 ILE 96 -0.236 -1.799 -1.799 750 3HG2 ILE 96 1HG2 ILE 96 -1.456 -1.168 -1.168 751 1HD1 ILE 96 3HD1 ILE 96 -2.026 -2.121 -2.121 752 2HD1 ILE 96 2HD1 ILE 96 -2.616 -3.608 -3.608 753 3HD1 ILE 96 1HD1 ILE 96 -0.899 -3.224 -3.224 754 H GLN 97 H GLN 97 -4.825 -1.320 -1.320 755 HA GLN 97 HA GLN 97 -5.146 0.627 0.627 756 1HB GLN 97 2HB GLN 97 -6.797 -0.281 -0.281 757 2HB GLN 97 1HB GLN 97 -6.470 1.420 1.420 758 1HG GLN 97 2HG GLN 97 -7.218 1.896 1.896 759 2HG GLN 97 1HG GLN 97 -7.680 0.200 0.200 760 1HE2 GLN 97 2HE2 GLN 97 -9.751 2.454 2.454 761 2HE2 GLN 97 1HE2 GLN 97 -8.042 2.637 2.637 762 H LEU 98 H LEU 98 -3.765 2.242 2.242 763 HA LEU 98 HA LEU 98 -2.386 3.194 3.194 764 1HB LEU 98 2HB LEU 98 -1.684 3.932 3.932 765 2HB LEU 98 1HB LEU 98 -0.685 4.050 4.050 766 HG LEU 98 HG LEU 98 -1.562 1.328 1.328 767 1HD1 LEU 98 3HD1 LEU 98 -0.931 2.582 2.582 768 2HD1 LEU 98 2HD1 LEU 98 0.706 2.615 2.615 769 3HD1 LEU 98 1HD1 LEU 98 -0.087 1.072 1.072 770 1HD2 LEU 98 1HD2 LEU 98 -0.028 2.085 2.085 771 2HD2 LEU 98 3HD2 LEU 98 0.450 0.691 0.691 772 3HD2 LEU 98 2HD2 LEU 98 1.200 2.262 2.262 773 H GLN 99 H GLN 99 -2.104 5.525 5.525 774 HA GLN 99 HA GLN 99 -4.517 6.933 6.933 775 1HB GLN 99 2HB GLN 99 -3.007 6.893 6.893 776 2HB GLN 99 1HB GLN 99 -2.932 8.524 8.524 777 1HG GLN 99 2HG GLN 99 -5.606 7.356 7.356 778 2HG GLN 99 1HG GLN 99 -4.933 7.523 7.523 779 1HE2 GLN 99 2HE2 GLN 99 -6.058 10.769 10.769 780 2HE2 GLN 99 1HE2 GLN 99 -6.013 9.187 9.187 781 H GLY 100 H GLY 100 -4.486 8.555 8.555 782 1HA GLY 100 2HA GLY 100 -3.586 10.423 10.423 783 2HA GLY 100 1HA GLY 100 -1.987 9.960 9.960 784 H ASP 101 H ASP 101 -2.481 10.720 10.720 785 HA ASP 101 HA ASP 101 -2.919 8.508 8.508 786 1HB ASP 101 2HB ASP 101 -1.832 10.005 10.005 787 2HB ASP 101 1HB ASP 101 -3.238 10.683 10.683 788 H GLN 102 H GLN 102 -1.544 6.930 6.930 789 HA GLN 102 HA GLN 102 1.315 7.269 7.269 790 1HB GLN 102 2HB GLN 102 -0.311 4.868 4.868 791 2HB GLN 102 1HB GLN 102 1.432 5.034 5.034 792 1HG GLN 102 2HG GLN 102 -0.727 6.504 6.504 793 2HG GLN 102 1HG GLN 102 0.554 5.490 5.490 794 1HE2 GLN 102 2HE2 GLN 102 1.211 9.400 9.400 795 2HE2 GLN 102 1HE2 GLN 102 -0.207 8.570 8.570 796 H ARG 103 H ARG 103 -0.938 6.583 6.583 797 HA ARG 103 HA ARG 103 -0.333 4.306 4.306 798 1HB ARG 103 2HB ARG 103 -1.005 5.384 5.384 799 2HB ARG 103 1HB ARG 103 -1.993 6.002 6.002 800 1HG ARG 103 2HG ARG 103 -1.400 8.077 8.077 801 2HG ARG 103 1HG ARG 103 0.305 7.669 7.669 802 1HD ARG 103 2HD ARG 103 0.590 7.920 7.920 803 2HD ARG 103 1HD ARG 103 -0.537 6.596 6.596 804 HE ARG 103 HE ARG 103 -2.048 8.137 8.137 805 1HH1 ARG 103 2HH1 ARG 103 0.244 9.752 9.752 806 2HH1 ARG 103 1HH1 ARG 103 -0.437 11.323 11.323 807 1HH2 ARG 103 1HH2 ARG 103 -2.946 10.202 10.202 808 2HH2 ARG 103 2HH2 ARG 103 -2.249 11.578 11.578 809 H LYS 104 H LYS 104 1.723 7.105 7.105 810 HA LYS 104 HA LYS 104 3.668 5.919 5.919 811 1HB LYS 104 2HB LYS 104 2.797 8.505 8.505 812 2HB LYS 104 1HB LYS 104 4.283 8.552 8.552 813 1HG LYS 104 2HG LYS 104 3.986 7.684 7.684 814 2HG LYS 104 1HG LYS 104 4.745 9.164 9.164 815 1HD LYS 104 2HD LYS 104 5.701 6.374 6.374 816 2HD LYS 104 1HD LYS 104 6.373 7.399 7.399 817 1HE LYS 104 2HE LYS 104 6.241 8.222 8.222 818 2HE LYS 104 1HE LYS 104 7.629 7.397 7.397 819 1HZ LYS 104 2HZ LYS 104 7.720 9.251 9.251 820 2HZ LYS 104 1HZ LYS 104 6.557 10.064 10.064 821 3HZ LYS 104 3HZ LYS 104 8.069 9.707 9.707 822 H ASN 105 H ASN 105 3.079 6.575 6.575 823 HA ASN 105 HA ASN 105 5.874 6.216 6.216 824 1HB ASN 105 2HB ASN 105 3.387 7.051 7.051 825 2HB ASN 105 1HB ASN 105 4.646 6.289 6.289 826 1HD2 ASN 105 2HD2 ASN 105 4.926 10.121 10.121 827 2HD2 ASN 105 1HD2 ASN 105 3.500 9.160 9.160 828 H ILE 106 H ILE 106 2.812 4.456 4.456 829 HA ILE 106 HA ILE 106 3.741 2.366 2.366 830 HB ILE 106 HB ILE 106 1.335 2.827 2.827 831 1HG1 ILE 106 2HG1 ILE 106 0.651 0.517 0.517 832 2HG1 ILE 106 1HG1 ILE 106 2.166 -0.014 -0.014 833 1HG2 ILE 106 1HG2 ILE 106 1.622 3.088 3.088 834 2HG2 ILE 106 3HG2 ILE 106 1.821 1.342 1.342 835 3HG2 ILE 106 2HG2 ILE 106 0.298 2.021 2.021 836 1HD1 ILE 106 3HD1 ILE 106 2.336 1.533 1.533 837 2HD1 ILE 106 2HD1 ILE 106 1.703 -0.109 -0.109 838 3HD1 ILE 106 1HD1 ILE 106 3.310 0.179 0.179 839 H CYS 107 H CYS 107 3.493 2.594 2.594 840 HA CYS 107 HA CYS 107 4.551 0.077 0.077 841 1HB CYS 107 2HB CYS 107 5.333 1.217 1.217 842 2HB CYS 107 1HB CYS 107 3.613 1.340 1.340 843 HG CYS 107 HG CYS 107 4.853 3.655 3.655 844 H GLN 108 H GLN 108 6.008 3.076 3.076 845 HA GLN 108 HA GLN 108 8.726 2.403 2.403 846 1HB GLN 108 2HB GLN 108 7.260 4.522 4.522 847 2HB GLN 108 1HB GLN 108 8.909 4.222 4.222 848 1HG GLN 108 2HG GLN 108 8.066 4.883 4.883 849 2HG GLN 108 1HG GLN 108 8.736 6.023 6.023 850 1HE2 GLN 108 2HE2 GLN 108 11.930 4.134 4.134 851 2HE2 GLN 108 1HE2 GLN 108 10.722 4.466 4.466 852 H PHE 109 H PHE 109 6.685 2.359 2.359 853 HA PHE 109 HA PHE 109 8.565 1.400 1.400 854 1HB PHE 109 2HB PHE 109 6.385 2.372 2.372 855 2HB PHE 109 1HB PHE 109 5.572 0.960 0.960 856 HD1 PHE 109 HD2 PHE 109 8.175 1.867 1.867 857 HD2 PHE 109 HD1 PHE 109 5.014 -0.763 -0.763 858 HE1 PHE 109 HE2 PHE 109 8.347 0.758 0.758 859 HE2 PHE 109 HE1 PHE 109 5.180 -1.875 -1.875 860 HZ PHE 109 HZ PHE 109 6.847 -1.113 -1.113 861 H LEU 110 H LEU 110 6.142 -0.363 -0.363 862 HA LEU 110 HA LEU 110 6.677 -2.933 -2.933 863 1HB LEU 110 2HB LEU 110 5.590 -1.773 -1.773 864 2HB LEU 110 1HB LEU 110 6.007 -3.475 -3.475 865 HG LEU 110 HG LEU 110 4.403 -3.955 -3.955 866 1HD1 LEU 110 3HD1 LEU 110 4.835 -1.933 -1.933 867 2HD1 LEU 110 2HD1 LEU 110 3.869 -0.998 -0.998 868 3HD1 LEU 110 1HD1 LEU 110 3.119 -2.287 -2.287 869 1HD2 LEU 110 2HD2 LEU 110 3.693 -3.266 -3.266 870 2HD2 LEU 110 1HD2 LEU 110 2.502 -3.692 -3.692 871 3HD2 LEU 110 3HD2 LEU 110 2.833 -1.997 -1.997 872 H VAL 111 H VAL 111 8.436 -0.922 -0.922 873 HA VAL 111 HA VAL 111 10.178 -3.123 -3.123 874 HB VAL 111 HB VAL 111 10.185 -0.220 -0.220 875 1HG1 VAL 111 3HG1 VAL 111 12.055 -2.417 -2.417 876 2HG1 VAL 111 2HG1 VAL 111 11.499 -1.629 -1.629 877 3HG1 VAL 111 1HG1 VAL 111 12.270 -0.679 -0.679 878 1HG2 VAL 111 1HG2 VAL 111 8.347 -2.131 -2.131 879 2HG2 VAL 111 3HG2 VAL 111 8.747 -0.723 -0.723 880 3HG2 VAL 111 2HG2 VAL 111 9.515 -2.276 -2.276 881 H GLU 112 H GLU 112 10.136 -0.341 -0.341 882 HA GLU 112 HA GLU 112 12.964 -0.187 -0.187 883 1HB GLU 112 2HB GLU 112 10.614 0.954 0.954 884 2HB GLU 112 1HB GLU 112 12.277 1.218 1.218 885 1HG GLU 112 2HG GLU 112 11.719 1.819 1.819 886 2HG GLU 112 1HG GLU 112 10.900 2.851 2.851 887 H ILE 113 H ILE 113 10.284 -1.684 -1.684 888 HA ILE 113 HA ILE 113 12.098 -2.718 -2.718 889 HB ILE 113 HB ILE 113 10.182 -3.504 -3.504 890 1HG1 ILE 113 2HG1 ILE 113 8.619 -2.959 -2.959 891 2HG1 ILE 113 1HG1 ILE 113 8.967 -4.538 -4.538 892 1HG2 ILE 113 2HG2 ILE 113 10.621 -0.936 -0.936 893 2HG2 ILE 113 1HG2 ILE 113 9.044 -1.007 -1.007 894 3HG2 ILE 113 3HG2 ILE 113 9.211 -1.503 -1.503 895 1HD1 ILE 113 2HD1 ILE 113 7.644 -2.854 -2.854 896 2HD1 ILE 113 1HD1 ILE 113 6.716 -2.967 -2.967 897 3HD1 ILE 113 3HD1 ILE 113 7.174 -4.433 -4.433 898 H GLY 114 H GLY 114 10.498 -3.786 -3.786 899 1HA GLY 114 2HA GLY 114 11.260 -5.689 -5.689 900 2HA GLY 114 1HA GLY 114 11.805 -6.400 -6.400 901 H LEU 115 H LEU 115 8.677 -4.901 -4.901 902 HA LEU 115 HA LEU 115 7.367 -7.330 -7.330 903 1HB LEU 115 2HB LEU 115 6.836 -4.644 -4.644 904 2HB LEU 115 1HB LEU 115 5.666 -5.132 -5.132 905 HG LEU 115 HG LEU 115 4.634 -6.676 -6.676 906 1HD1 LEU 115 3HD1 LEU 115 7.097 -6.316 -6.316 907 2HD1 LEU 115 2HD1 LEU 115 5.587 -6.850 -6.850 908 3HD1 LEU 115 1HD1 LEU 115 6.325 -7.804 -7.804 909 1HD2 LEU 115 2HD2 LEU 115 4.583 -4.022 -4.022 910 2HD2 LEU 115 1HD2 LEU 115 3.604 -5.184 -5.184 911 3HD2 LEU 115 3HD2 LEU 115 5.116 -4.587 -4.587 912 H ALA 116 H ALA 116 6.583 -5.128 -5.128 913 HA ALA 116 HA ALA 116 5.586 -7.398 -7.398 914 1HB ALA 116 2HB ALA 116 4.395 -5.126 -5.126 915 2HB ALA 116 1HB ALA 116 5.552 -4.555 -4.555 916 3HB ALA 116 3HB ALA 116 4.450 -5.872 -5.872 917 H LYS 117 H LYS 117 6.030 -6.562 -6.562 918 HA LYS 117 HA LYS 117 8.960 -6.427 -6.427 919 1HB LYS 117 2HB LYS 117 7.431 -8.685 -8.685 920 2HB LYS 117 1HB LYS 117 7.736 -7.966 -7.966 921 1HG LYS 117 2HG LYS 117 9.530 -9.382 -9.382 922 2HG LYS 117 1HG LYS 117 10.195 -7.848 -7.848 923 1HD LYS 117 2HD LYS 117 8.903 -9.447 -9.447 924 2HD LYS 117 1HD LYS 117 10.318 -10.210 -10.210 925 1HE LYS 117 2HE LYS 117 11.748 -8.675 -8.675 926 2HE LYS 117 1HE LYS 117 10.590 -7.355 -7.355 927 1HZ LYS 117 3HZ LYS 117 10.371 -9.479 -9.479 928 2HZ LYS 117 2HZ LYS 117 11.161 -8.007 -8.007 929 3HZ LYS 117 1HZ LYS 117 9.505 -8.027 -8.027 930 H ASP 118 H ASP 118 9.743 -5.577 -5.577 931 HA ASP 118 HA ASP 118 8.310 -3.317 -3.317 932 1HB ASP 118 2HB ASP 118 10.063 -2.997 -2.997 933 2HB ASP 118 1HB ASP 118 10.784 -3.529 -3.529 934 H ASP 119 H ASP 119 8.392 -6.599 -6.599 935 HA ASP 119 HA ASP 119 7.115 -6.056 -6.056 936 1HB ASP 119 2HB ASP 119 8.616 -7.998 -7.998 937 2HB ASP 119 1HB ASP 119 7.504 -8.678 -8.678 938 H GLN 120 H GLN 120 6.163 -6.582 -6.582 939 HA GLN 120 HA GLN 120 3.405 -7.185 -7.185 940 1HB GLN 120 2HB GLN 120 4.539 -7.005 -7.005 941 2HB GLN 120 1HB GLN 120 3.043 -7.778 -7.778 942 1HG GLN 120 2HG GLN 120 4.522 -9.333 -9.333 943 2HG GLN 120 1HG GLN 120 5.860 -8.700 -8.700 944 1HE2 GLN 120 2HE2 GLN 120 4.118 -9.977 -9.977 945 2HE2 GLN 120 1HE2 GLN 120 4.454 -8.401 -8.401 946 H LEU 121 H LEU 121 5.255 -4.503 -4.503 947 HA LEU 121 HA LEU 121 3.767 -2.834 -2.834 948 1HB LEU 121 2HB LEU 121 5.623 -2.354 -2.354 949 2HB LEU 121 1HB LEU 121 4.732 -1.009 -1.009 950 HG LEU 121 HG LEU 121 6.556 -2.812 -2.812 951 1HD1 LEU 121 3HD1 LEU 121 7.060 -0.071 -0.071 952 2HD1 LEU 121 2HD1 LEU 121 8.116 -0.907 -0.907 953 3HD1 LEU 121 1HD1 LEU 121 7.855 -1.574 -1.574 954 1HD2 LEU 121 2HD2 LEU 121 4.802 -0.510 -0.510 955 2HD2 LEU 121 1HD2 LEU 121 5.238 -1.913 -1.913 956 3HD2 LEU 121 3HD2 LEU 121 6.374 -0.576 -0.576 957 H LYS 122 H LYS 122 1.566 -3.212 -3.212 958 HA LYS 122 HA LYS 122 0.526 -2.291 -2.291 959 1HB LYS 122 2HB LYS 122 -0.383 -4.263 -4.263 960 2HB LYS 122 1HB LYS 122 -1.653 -3.289 -3.289 961 1HG LYS 122 2HG LYS 122 0.386 -4.829 -4.829 962 2HG LYS 122 1HG LYS 122 -1.199 -5.462 -5.462 963 1HD LYS 122 2HD LYS 122 -2.273 -4.203 -4.203 964 2HD LYS 122 1HD LYS 122 -1.226 -2.808 -2.808 965 1HE LYS 122 2HE LYS 122 0.569 -4.164 -4.164 966 2HE LYS 122 1HE LYS 122 -0.757 -5.203 -5.203 967 1HZ LYS 122 3HZ LYS 122 -1.791 -2.920 -2.920 968 2HZ LYS 122 2HZ LYS 122 -0.174 -2.423 -2.423 969 3HZ LYS 122 1HZ LYS 122 -0.684 -3.708 -3.708 970 H VAL 123 H VAL 123 1.039 -0.072 -0.072 971 HA VAL 123 HA VAL 123 -0.511 1.035 1.035 972 HB VAL 123 HB VAL 123 1.707 1.940 1.940 973 1HG1 VAL 123 1HG1 VAL 123 1.428 1.651 1.651 974 2HG1 VAL 123 3HG1 VAL 123 0.406 3.088 3.088 975 3HG1 VAL 123 2HG1 VAL 123 2.098 3.206 3.206 976 1HG2 VAL 123 3HG2 VAL 123 -0.424 3.299 3.299 977 2HG2 VAL 123 2HG2 VAL 123 1.166 4.033 4.033 978 3HG2 VAL 123 1HG2 VAL 123 -0.073 4.231 4.231 979 H HIS 124 H HIS 124 -2.551 1.673 1.673 980 HA HIS 124 HA HIS 124 -3.632 2.520 2.520 981 1HB HIS 124 2HB HIS 124 -5.069 0.903 0.903 982 2HB HIS 124 1HB HIS 124 -5.785 1.498 1.498 983 HD1 HIS 124 HD1 HIS 124 -5.045 0.331 0.331 984 HD2 HIS 124 HD2 HIS 124 -3.513 -1.385 -1.385 985 HE1 HIS 124 HE1 HIS 124 -4.134 -1.905 -1.905 986 HE2 HIS 124 HE2 HIS 124 -3.152 -2.897 -2.897 987 H GLY 125 H GLY 125 -2.778 4.586 4.586 988 1HA GLY 125 2HA GLY 125 -4.070 5.716 5.716 989 2HA GLY 125 1HA GLY 125 -3.358 6.633 6.633 990 H PHE 126 HN PHE 126 -6.128 6.190 6.190 991 HA PHE 126 HA PHE 126 -8.200 5.959 5.959 992 1HB PHE 126 2HB PHE 126 -9.574 6.784 6.784 993 2HB PHE 126 1HB PHE 126 -8.155 6.354 6.354 994 HD1 PHE 126 HD1 PHE 126 -6.355 8.603 8.603 995 HD2 PHE 126 HD2 PHE 126 -10.547 8.550 8.550 996 HE1 PHE 126 HE1 PHE 126 -6.231 10.907 10.907 997 HE2 PHE 126 HE2 PHE 126 -10.432 10.854 10.854 998 HZ PHE 126 HZ PHE 126 -8.272 12.036 12.036 Start of MODEL 27 1 1H MET 1 1H MET 1 14.087 11.281 11.281 2 2H MET 1 3H MET 1 15.377 10.245 10.245 3 3H MET 1 2H MET 1 14.071 10.498 10.498 4 HA MET 1 HA MET 1 13.697 8.440 8.440 5 1HB MET 1 2HB MET 1 15.379 9.117 9.117 6 2HB MET 1 1HB MET 1 13.904 9.496 9.496 7 1HG MET 1 2HG MET 1 14.383 6.831 6.831 8 2HG MET 1 1HG MET 1 14.875 7.197 7.197 9 1HE MET 1 3HE MET 1 12.647 5.185 5.185 10 2HE MET 1 2HE MET 1 10.978 5.549 5.549 11 3HE MET 1 1HE MET 1 11.821 6.557 6.557 12 H ARG 2 H ARG 2 11.609 8.404 8.404 13 HA ARG 2 HA ARG 2 9.722 10.162 10.162 14 1HB ARG 2 2HB ARG 2 9.859 8.974 8.974 15 2HB ARG 2 1HB ARG 2 8.262 8.913 8.913 16 1HG ARG 2 2HG ARG 2 9.930 11.391 11.391 17 2HG ARG 2 1HG ARG 2 8.539 10.907 10.907 18 1HD ARG 2 2HD ARG 2 7.493 10.821 10.821 19 2HD ARG 2 1HD ARG 2 8.650 12.143 12.143 20 HE ARG 2 HE ARG 2 7.053 12.406 12.406 21 1HH1 ARG 2 2HH1 ARG 2 7.034 12.883 12.883 22 2HH1 ARG 2 1HH1 ARG 2 5.840 14.134 14.134 23 1HH2 ARG 2 1HH2 ARG 2 5.482 14.053 14.053 24 2HH2 ARG 2 2HH2 ARG 2 4.957 14.799 14.799 25 H GLY 3 H GLY 3 9.711 8.905 8.905 26 1HA GLY 3 2HA GLY 3 8.403 6.275 6.275 27 2HA GLY 3 1HA GLY 3 9.352 6.801 6.801 28 H SER 4 H SER 4 8.314 7.633 7.633 29 HA SER 4 HA SER 4 5.705 8.866 8.866 30 1HB SER 4 2HB SER 4 5.435 6.312 6.312 31 2HB SER 4 1HB SER 4 5.942 6.603 6.603 32 HG SER 4 HG SER 4 3.667 6.676 6.676 33 H HIS 5 H HIS 5 4.900 9.071 9.071 34 HA HIS 5 HA HIS 5 7.180 10.076 10.076 35 1HB HIS 5 2HB HIS 5 5.740 12.127 12.127 36 2HB HIS 5 1HB HIS 5 6.504 12.079 12.079 37 HD1 HIS 5 HD1 HIS 5 3.250 12.380 12.380 38 HD2 HIS 5 HD2 HIS 5 4.662 11.396 11.396 39 HE1 HIS 5 HE1 HIS 5 1.265 12.578 12.578 40 HE2 HIS 5 HE2 HIS 5 2.124 11.894 11.894 41 H HIS 6 H HIS 6 7.070 8.896 8.896 42 HA HIS 6 HA HIS 6 4.632 8.990 8.990 43 1HB HIS 6 2HB HIS 6 5.863 6.461 6.461 44 2HB HIS 6 1HB HIS 6 4.972 6.457 6.457 45 HD1 HIS 6 HD1 HIS 6 2.430 6.627 6.627 46 HD2 HIS 6 HD2 HIS 6 4.289 6.936 6.936 47 HE1 HIS 6 HE1 HIS 6 0.581 6.454 6.454 48 HE2 HIS 6 HE2 HIS 6 1.738 6.576 6.576 49 H HIS 7 H HIS 7 7.145 10.260 10.260 50 HA HIS 7 HA HIS 7 8.678 10.720 10.720 51 1HB HIS 7 2HB HIS 7 6.605 10.312 10.312 52 2HB HIS 7 1HB HIS 7 7.276 8.716 8.716 53 HD1 HIS 7 HD1 HIS 7 10.115 10.797 10.797 54 HD2 HIS 7 HD2 HIS 7 7.152 10.226 10.226 55 HE1 HIS 7 HE1 HIS 7 11.086 11.653 11.653 56 HE2 HIS 7 HE2 HIS 7 9.245 11.377 11.377 57 H HIS 8 H HIS 8 10.144 9.563 9.563 58 HA HIS 8 HA HIS 8 11.070 6.991 6.991 59 1HB HIS 8 2HB HIS 8 10.754 8.013 8.013 60 2HB HIS 8 1HB HIS 8 12.409 7.479 7.479 61 HD1 HIS 8 HD1 HIS 8 12.501 4.935 4.935 62 HD2 HIS 8 HD2 HIS 8 9.118 6.005 6.005 63 HE1 HIS 8 HE1 HIS 8 11.381 2.768 2.768 64 HE2 HIS 8 HE2 HIS 8 9.389 3.438 3.438 65 H HIS 9 H HIS 9 11.675 9.614 9.614 66 HA HIS 9 HA HIS 9 14.452 10.114 10.114 67 1HB HIS 9 2HB HIS 9 12.460 11.739 11.739 68 2HB HIS 9 1HB HIS 9 13.305 11.399 11.399 69 HD1 HIS 9 HD1 HIS 9 13.703 14.120 14.120 70 HD2 HIS 9 HD2 HIS 9 15.874 11.521 11.521 71 HE1 HIS 9 HE1 HIS 9 15.643 15.466 15.466 72 HE2 HIS 9 HE2 HIS 9 16.893 13.898 13.898 73 H HIS 10 H HIS 10 16.142 10.101 10.101 74 HA HIS 10 HA HIS 10 15.845 7.812 7.812 75 1HB HIS 10 2HB HIS 10 18.435 9.215 9.215 76 2HB HIS 10 1HB HIS 10 18.188 7.562 7.562 77 HD1 HIS 10 HD1 HIS 10 15.882 7.132 7.132 78 HD2 HIS 10 HD2 HIS 10 19.842 8.277 8.277 79 HE1 HIS 10 HE1 HIS 10 16.458 6.504 6.504 80 HE2 HIS 10 HE2 HIS 10 18.830 7.288 7.288 81 H THR 11 H THR 11 17.350 8.046 8.046 82 HA THR 11 HA THR 11 17.573 10.651 10.651 83 HB THR 11 HB THR 11 15.926 9.549 9.549 84 HG1 THR 11 HG1 THR 11 14.078 8.912 8.912 85 1HG2 THR 11 3HG2 THR 11 15.427 11.619 11.619 86 2HG2 THR 11 2HG2 THR 11 14.195 11.184 11.184 87 3HG2 THR 11 1HG2 THR 11 15.744 11.834 11.834 88 H ASP 12 H ASP 12 17.268 7.185 7.185 89 HA ASP 12 HA ASP 12 19.726 7.383 7.383 90 1HB ASP 12 2HB ASP 12 18.729 5.697 5.697 91 2HB ASP 12 1HB ASP 12 17.992 7.295 7.295 92 HA PRO 13 HA PRO 13 20.108 4.040 4.040 93 1HB PRO 13 2HB PRO 13 22.742 4.491 4.491 94 2HB PRO 13 1HB PRO 13 21.446 5.378 5.378 95 1HG PRO 13 2HG PRO 13 23.127 6.197 6.197 96 2HG PRO 13 1HG PRO 13 22.635 7.150 7.150 97 1HD PRO 13 2HD PRO 13 21.401 7.367 7.367 98 2HD PRO 13 1HD PRO 13 20.536 7.573 7.573 99 H MET 14 H MET 14 22.062 4.902 4.902 100 HA MET 14 HA MET 14 23.606 2.589 2.589 101 1HB MET 14 2HB MET 14 22.530 4.450 4.450 102 2HB MET 14 1HB MET 14 23.692 3.172 3.172 103 1HG MET 14 2HG MET 14 25.403 4.269 4.269 104 2HG MET 14 1HG MET 14 24.344 5.095 5.095 105 1HE MET 14 2HE MET 14 24.761 7.300 7.300 106 2HE MET 14 1HE MET 14 23.178 7.628 7.628 107 3HE MET 14 3HE MET 14 24.600 8.497 8.497 108 H SER 15 H SER 15 20.245 3.116 3.116 109 HA SER 15 HA SER 15 19.708 1.101 1.101 110 1HB SER 15 2HB SER 15 18.205 2.932 2.932 111 2HB SER 15 1HB SER 15 17.632 1.381 1.381 112 HG SER 15 HG SER 15 16.923 0.840 0.840 113 H ALA 16 H ALA 16 19.939 0.961 0.961 114 HA ALA 16 HA ALA 16 19.988 -1.979 -1.979 115 1HB ALA 16 1HB ALA 16 17.891 -1.235 -1.235 116 2HB ALA 16 3HB ALA 16 18.800 -0.359 -0.359 117 3HB ALA 16 2HB ALA 16 18.889 -2.119 -2.119 118 H ILE 17 H ILE 17 22.253 -2.007 -2.007 119 HA ILE 17 HA ILE 17 23.669 -0.922 -0.922 120 HB ILE 17 HB ILE 17 24.941 -2.178 -2.178 121 1HG1 ILE 17 2HG1 ILE 17 24.466 0.778 0.778 122 2HG1 ILE 17 1HG1 ILE 17 23.406 -0.236 -0.236 123 1HG2 ILE 17 3HG2 ILE 17 25.873 -0.699 -0.699 124 2HG2 ILE 17 2HG2 ILE 17 26.678 -0.336 -0.336 125 3HG2 ILE 17 1HG2 ILE 17 26.653 -1.989 -1.989 126 1HD1 ILE 17 2HD1 ILE 17 26.344 -0.099 -0.099 127 2HD1 ILE 17 1HD1 ILE 17 25.231 1.111 1.111 128 3HD1 ILE 17 3HD1 ILE 17 25.035 -0.586 -0.586 129 H GLN 18 H GLN 18 24.004 -2.237 -2.237 130 HA GLN 18 HA GLN 18 23.541 -5.006 -5.006 131 1HB GLN 18 2HB GLN 18 25.084 -3.310 -3.310 132 2HB GLN 18 1HB GLN 18 24.660 -4.994 -4.994 133 1HG GLN 18 2HG GLN 18 22.690 -2.763 -2.763 134 2HG GLN 18 1HG GLN 18 23.141 -3.428 -3.428 135 1HE2 GLN 18 2HE2 GLN 18 21.284 -6.396 -6.396 136 2HE2 GLN 18 1HE2 GLN 18 22.644 -5.666 -5.666 137 H ASN 19 H ASN 19 24.904 -6.771 -6.771 138 HA ASN 19 HA ASN 19 27.734 -6.575 -6.575 139 1HB ASN 19 2HB ASN 19 27.697 -7.579 -7.579 140 2HB ASN 19 1HB ASN 19 27.837 -5.853 -5.853 141 1HD2 ASN 19 2HD2 ASN 19 24.078 -7.132 -7.132 142 2HD2 ASN 19 1HD2 ASN 19 25.009 -7.966 -7.966 143 H LEU 20 H LEU 20 28.021 -8.313 -8.313 144 HA LEU 20 HA LEU 20 27.664 -10.916 -10.916 145 1HB LEU 20 2HB LEU 20 25.344 -9.996 -9.996 146 2HB LEU 20 1HB LEU 20 26.062 -10.695 -10.695 147 HG LEU 20 HG LEU 20 26.315 -12.848 -12.848 148 1HD1 LEU 20 3HD1 LEU 20 24.970 -11.230 -11.230 149 2HD1 LEU 20 2HD1 LEU 20 24.692 -12.969 -12.969 150 3HD1 LEU 20 1HD1 LEU 20 26.327 -12.348 -12.348 151 1HD2 LEU 20 1HD2 LEU 20 23.736 -11.569 -11.569 152 2HD2 LEU 20 3HD2 LEU 20 24.504 -13.010 -13.010 153 3HD2 LEU 20 2HD2 LEU 20 23.667 -13.093 -13.093 154 H HIS 21 H HIS 21 29.621 -11.601 -11.601 155 HA HIS 21 HA HIS 21 30.189 -11.891 -11.891 156 1HB HIS 21 2HB HIS 21 32.636 -10.961 -10.961 157 2HB HIS 21 1HB HIS 21 31.423 -10.000 -10.000 158 HD1 HIS 21 HD1 HIS 21 33.228 -10.302 -10.302 159 HD2 HIS 21 HD2 HIS 21 29.995 -8.182 -8.182 160 HE1 HIS 21 HE1 HIS 21 32.789 -8.464 -8.464 161 HE2 HIS 21 HE2 HIS 21 30.894 -7.135 -7.135 162 H SER 22 H SER 22 31.656 -12.160 -12.160 163 HA SER 22 HA SER 22 33.257 -14.407 -14.407 164 1HB SER 22 2HB SER 22 33.753 -14.549 -14.549 165 2HB SER 22 1HB SER 22 33.793 -12.861 -12.861 166 HG SER 22 HG SER 22 32.090 -14.141 -14.141 167 H PHE 23 H PHE 23 32.675 -16.459 -16.459 168 HA PHE 23 HA PHE 23 30.005 -17.282 -17.282 169 1HB PHE 23 2HB PHE 23 30.883 -17.831 -17.831 170 2HB PHE 23 1HB PHE 23 32.114 -18.839 -18.839 171 HD1 PHE 23 HD2 PHE 23 28.470 -18.456 -18.456 172 HD2 PHE 23 HD1 PHE 23 31.644 -21.033 -21.033 173 HE1 PHE 23 HE2 PHE 23 26.913 -20.362 -20.362 174 HE2 PHE 23 HE1 PHE 23 30.092 -22.942 -22.942 175 HZ PHE 23 HZ PHE 23 27.724 -22.608 -22.608 176 H ASP 24 H ASP 24 29.669 -18.142 -18.142 177 HA ASP 24 HA ASP 24 31.882 -19.545 -19.545 178 1HB ASP 24 2HB ASP 24 30.646 -17.485 -17.485 179 2HB ASP 24 1HB ASP 24 29.392 -18.659 -18.659 180 HA PRO 25 HA PRO 25 29.435 -23.197 -23.197 181 1HB PRO 25 2HB PRO 25 31.625 -24.461 -24.461 182 2HB PRO 25 1HB PRO 25 31.007 -24.867 -24.867 183 1HG PRO 25 2HG PRO 25 33.342 -23.613 -23.613 184 2HG PRO 25 1HG PRO 25 32.243 -23.210 -23.210 185 1HD PRO 25 2HD PRO 25 32.784 -21.721 -21.721 186 2HD PRO 25 1HD PRO 25 32.460 -21.098 -21.098 187 H PHE 26 H PHE 26 30.515 -22.119 -22.119 188 HA PHE 26 HA PHE 26 28.727 -23.991 -23.991 189 1HB PHE 26 2HB PHE 26 30.659 -21.998 -21.998 190 2HB PHE 26 1HB PHE 26 29.812 -23.285 -23.285 191 HD1 PHE 26 HD1 PHE 26 32.269 -22.700 -22.700 192 HD2 PHE 26 HD2 PHE 26 30.803 -25.363 -25.363 193 HE1 PHE 26 HE1 PHE 26 34.146 -24.225 -24.225 194 HE2 PHE 26 HE2 PHE 26 32.679 -26.893 -26.893 195 HZ PHE 26 HZ PHE 26 34.354 -26.325 -26.325 196 H ALA 27 H ALA 27 27.523 -21.993 -21.993 197 HA ALA 27 HA ALA 27 25.731 -20.864 -20.864 198 1HB ALA 27 2HB ALA 27 27.658 -19.276 -19.276 199 2HB ALA 27 1HB ALA 27 27.362 -18.874 -18.874 200 3HB ALA 27 3HB ALA 27 26.130 -18.536 -18.536 201 H ASP 28 H ASP 28 25.383 -22.592 -22.592 202 HA ASP 28 HA ASP 28 24.047 -20.930 -20.930 203 1HB ASP 28 2HB ASP 28 24.120 -22.941 -22.941 204 2HB ASP 28 1HB ASP 28 25.725 -22.418 -22.418 205 H ALA 29 H ALA 29 23.631 -23.741 -23.741 206 HA ALA 29 HA ALA 29 20.807 -23.202 -23.202 207 1HB ALA 29 3HB ALA 29 21.748 -25.767 -25.767 208 2HB ALA 29 2HB ALA 29 20.101 -25.454 -25.454 209 3HB ALA 29 1HB ALA 29 20.793 -24.496 -24.496 210 H SER 30 H SER 30 19.790 -24.381 -24.381 211 HA SER 30 HA SER 30 21.048 -26.365 -26.365 212 1HB SER 30 2HB SER 30 22.654 -24.775 -24.775 213 2HB SER 30 1HB SER 30 21.430 -23.526 -23.526 214 HG SER 30 HG SER 30 20.695 -24.559 -24.559 215 H LYS 31 H LYS 31 19.538 -27.333 -27.333 216 HA LYS 31 HA LYS 31 16.915 -26.098 -26.098 217 1HB LYS 31 2HB LYS 31 16.141 -28.287 -28.287 218 2HB LYS 31 1HB LYS 31 17.123 -28.443 -28.443 219 1HG LYS 31 2HG LYS 31 19.026 -28.808 -28.808 220 2HG LYS 31 1HG LYS 31 17.630 -29.394 -29.394 221 1HD LYS 31 2HD LYS 31 17.463 -31.251 -31.251 222 2HD LYS 31 1HD LYS 31 17.720 -30.370 -30.370 223 1HE LYS 31 2HE LYS 31 19.835 -31.046 -31.046 224 2HE LYS 31 1HE LYS 31 20.150 -30.440 -30.440 225 1HZ LYS 31 1HZ LYS 31 18.815 -32.658 -32.658 226 2HZ LYS 31 3HZ LYS 31 19.526 -33.139 -33.139 227 3HZ LYS 31 2HZ LYS 31 20.497 -32.617 -32.617 228 H GLY 32 H GLY 32 15.784 -27.026 -27.026 229 1HA GLY 32 2HA GLY 32 16.695 -27.223 -27.223 230 2HA GLY 32 1HA GLY 32 17.268 -25.595 -25.595 231 H ASP 33 H ASP 33 15.056 -24.663 -24.663 232 HA ASP 33 HA ASP 33 13.013 -24.571 -24.571 233 1HB ASP 33 2HB ASP 33 14.257 -22.437 -22.437 234 2HB ASP 33 1HB ASP 33 13.522 -22.470 -22.470 235 H ASP 34 H ASP 34 12.942 -26.654 -26.654 236 HA ASP 34 HA ASP 34 11.028 -25.953 -25.953 237 1HB ASP 34 2HB ASP 34 12.874 -27.611 -27.611 238 2HB ASP 34 1HB ASP 34 12.069 -28.692 -28.692 239 H LEU 35 H LEU 35 9.781 -25.263 -25.263 240 HA LEU 35 HA LEU 35 8.150 -27.517 -27.517 241 1HB LEU 35 2HB LEU 35 9.213 -25.267 -25.267 242 2HB LEU 35 1HB LEU 35 7.486 -24.981 -24.981 243 HG LEU 35 HG LEU 35 8.109 -26.068 -26.068 244 1HD1 LEU 35 2HD1 LEU 35 5.995 -26.670 -26.670 245 2HD1 LEU 35 1HD1 LEU 35 6.725 -28.270 -28.270 246 3HD1 LEU 35 3HD1 LEU 35 6.275 -27.385 -27.385 247 1HD2 LEU 35 1HD2 LEU 35 9.480 -27.923 -27.923 248 2HD2 LEU 35 3HD2 LEU 35 9.937 -27.386 -27.386 249 3HD2 LEU 35 2HD2 LEU 35 8.708 -28.634 -28.634 250 H LEU 36 H LEU 36 7.115 -27.615 -27.615 251 HA LEU 36 HA LEU 36 5.341 -27.285 -27.285 252 1HB LEU 36 2HB LEU 36 4.191 -25.643 -25.643 253 2HB LEU 36 1HB LEU 36 3.305 -26.413 -26.413 254 HG LEU 36 HG LEU 36 4.910 -28.042 -28.042 255 1HD1 LEU 36 3HD1 LEU 36 2.298 -26.702 -26.702 256 2HD1 LEU 36 2HD1 LEU 36 2.473 -28.361 -28.361 257 3HD1 LEU 36 1HD1 LEU 36 3.564 -27.107 -27.107 258 1HD2 LEU 36 1HD2 LEU 36 2.594 -28.584 -28.584 259 2HD2 LEU 36 3HD2 LEU 36 4.227 -29.243 -29.243 260 3HD2 LEU 36 2HD2 LEU 36 3.154 -29.723 -29.723 261 HA PRO 37 HA PRO 37 5.789 -23.594 -23.594 262 1HB PRO 37 2HB PRO 37 2.822 -23.316 -23.316 263 2HB PRO 37 1HB PRO 37 3.960 -23.352 -23.352 264 1HG PRO 37 2HG PRO 37 2.442 -25.468 -25.468 265 2HG PRO 37 1HG PRO 37 4.125 -25.666 -25.666 266 1HD PRO 37 2HD PRO 37 2.940 -25.931 -25.931 267 2HD PRO 37 1HD PRO 37 4.252 -26.858 -26.858 268 H ALA 38 H ALA 38 6.084 -21.466 -21.466 269 HA ALA 38 HA ALA 38 4.334 -19.985 -19.985 270 1HB ALA 38 1HB ALA 38 7.077 -20.798 -20.798 271 2HB ALA 38 3HB ALA 38 6.265 -19.364 -19.364 272 3HB ALA 38 2HB ALA 38 5.539 -20.956 -20.956 273 H GLY 39 H GLY 39 4.089 -18.334 -18.334 274 1HA GLY 39 2HA GLY 39 6.474 -17.183 -17.183 275 2HA GLY 39 1HA GLY 39 4.810 -16.890 -16.890 276 H THR 40 H THR 40 4.658 -14.721 -14.721 277 HA THR 40 HA THR 40 4.841 -13.552 -13.552 278 HB THR 40 HB THR 40 5.909 -11.526 -11.526 279 HG1 THR 40 HG1 THR 40 7.232 -13.919 -13.919 280 1HG2 THR 40 2HG2 THR 40 6.622 -12.332 -12.332 281 2HG2 THR 40 1HG2 THR 40 7.612 -13.531 -13.531 282 3HG2 THR 40 3HG2 THR 40 7.917 -11.812 -11.812 283 H GLU 41 H GLU 41 2.528 -13.642 -13.642 284 HA GLU 41 HA GLU 41 1.524 -11.395 -11.395 285 1HB GLU 41 2HB GLU 41 0.601 -14.201 -14.201 286 2HB GLU 41 1HB GLU 41 -0.663 -12.977 -12.977 287 1HG GLU 41 2HG GLU 41 0.344 -11.991 -11.991 288 2HG GLU 41 1HG GLU 41 1.442 -13.369 -13.369 289 H ASP 42 H ASP 42 1.308 -13.268 -13.268 290 HA ASP 42 HA ASP 42 -0.909 -11.906 -11.906 291 1HB ASP 42 2HB ASP 42 1.188 -13.768 -13.768 292 2HB ASP 42 1HB ASP 42 0.371 -12.783 -12.783 293 H TYR 43 H TYR 43 -0.060 -9.749 -9.749 294 HA TYR 43 HA TYR 43 2.098 -8.523 -8.523 295 1HB TYR 43 2HB TYR 43 -0.172 -7.133 -7.133 296 2HB TYR 43 1HB TYR 43 1.442 -6.503 -6.503 297 HD1 TYR 43 HD1 TYR 43 3.058 -8.909 -8.909 298 HD2 TYR 43 HD2 TYR 43 -0.279 -7.038 -7.038 299 HE1 TYR 43 HE1 TYR 43 3.814 -9.746 -9.746 300 HE2 TYR 43 HE2 TYR 43 0.467 -7.873 -7.873 301 HH TYR 43 HH TYR 43 3.452 -8.932 -8.932 302 H ILE 44 H ILE 44 1.595 -6.308 -6.308 303 HA ILE 44 HA ILE 44 -0.417 -6.845 -6.845 304 HB ILE 44 HB ILE 44 2.101 -5.184 -5.184 305 1HG1 ILE 44 2HG1 ILE 44 2.722 -7.475 -7.475 306 2HG1 ILE 44 1HG1 ILE 44 2.706 -6.954 -6.954 307 1HG2 ILE 44 2HG2 ILE 44 -0.045 -5.766 -5.766 308 2HG2 ILE 44 1HG2 ILE 44 1.536 -5.091 -5.091 309 3HG2 ILE 44 3HG2 ILE 44 0.430 -4.192 -4.192 310 1HD1 ILE 44 2HD1 ILE 44 0.371 -7.919 -7.919 311 2HD1 ILE 44 1HD1 ILE 44 0.709 -8.671 -8.671 312 3HD1 ILE 44 3HD1 ILE 44 1.700 -9.070 -9.070 313 H HIS 45 H HIS 45 -2.207 -5.787 -5.787 314 HA HIS 45 HA HIS 45 -2.199 -3.290 -3.290 315 1HB HIS 45 2HB HIS 45 -4.090 -5.318 -5.318 316 2HB HIS 45 1HB HIS 45 -4.734 -3.769 -3.769 317 HD1 HIS 45 HD1 HIS 45 -3.565 -5.544 -5.544 318 HD2 HIS 45 HD2 HIS 45 -5.643 -2.120 -2.120 319 HE1 HIS 45 HE1 HIS 45 -4.527 -4.624 -4.624 320 HE2 HIS 45 HE2 HIS 45 -5.857 -2.603 -2.603 321 H ILE 46 H ILE 46 -2.284 -1.291 -1.291 322 HA ILE 46 HA ILE 46 -2.252 -0.869 -0.869 323 HB ILE 46 HB ILE 46 -1.692 1.074 1.074 324 1HG1 ILE 46 2HG1 ILE 46 -0.058 -0.805 -0.805 325 2HG1 ILE 46 1HG1 ILE 46 0.632 0.796 0.796 326 1HG2 ILE 46 1HG2 ILE 46 -1.772 1.385 1.385 327 2HG2 ILE 46 3HG2 ILE 46 -0.594 2.309 2.309 328 3HG2 ILE 46 2HG2 ILE 46 -2.318 2.486 2.486 329 1HD1 ILE 46 3HD1 ILE 46 0.056 0.271 0.271 330 2HD1 ILE 46 2HD1 ILE 46 0.160 -1.392 -1.392 331 3HD1 ILE 46 1HD1 ILE 46 1.542 -0.308 -0.308 332 H ARG 47 H ARG 47 -3.431 1.720 1.720 333 HA ARG 47 HA ARG 47 -5.524 2.546 2.546 334 1HB ARG 47 2HB ARG 47 -6.194 -0.009 -0.009 335 2HB ARG 47 1HB ARG 47 -6.914 0.664 0.664 336 1HG ARG 47 2HG ARG 47 -8.490 1.839 1.839 337 2HG ARG 47 1HG ARG 47 -7.472 2.017 2.017 338 1HD ARG 47 2HD ARG 47 -8.109 0.019 0.019 339 2HD ARG 47 1HD ARG 47 -8.301 -0.731 -0.731 340 HE ARG 47 HE ARG 47 -10.299 1.222 1.222 341 1HH1 ARG 47 1HH1 ARG 47 -11.000 -2.457 -2.457 342 2HH1 ARG 47 2HH1 ARG 47 -9.376 -1.969 -1.969 343 1HH2 ARG 47 1HH2 ARG 47 -12.436 0.583 0.583 344 2HH2 ARG 47 2HH2 ARG 47 -12.737 -1.008 -1.008 345 H ILE 48 H ILE 48 -6.167 4.349 4.349 346 HA ILE 48 HA ILE 48 -5.917 4.721 4.721 347 HB ILE 48 HB ILE 48 -5.605 6.525 6.525 348 1HG1 ILE 48 2HG1 ILE 48 -4.314 6.462 6.462 349 2HG1 ILE 48 1HG1 ILE 48 -3.678 5.683 5.683 350 1HG2 ILE 48 1HG2 ILE 48 -6.666 7.512 7.512 351 2HG2 ILE 48 3HG2 ILE 48 -5.971 8.541 8.541 352 3HG2 ILE 48 2HG2 ILE 48 -7.449 7.638 7.638 353 1HD1 ILE 48 1HD1 ILE 48 -4.117 8.643 8.643 354 2HD1 ILE 48 3HD1 ILE 48 -2.570 7.811 7.811 355 3HD1 ILE 48 2HD1 ILE 48 -3.392 7.831 7.831 356 H GLN 49 H GLN 49 -7.594 5.985 5.985 357 HA GLN 49 HA GLN 49 -10.172 6.094 6.094 358 1HB GLN 49 2HB GLN 49 -11.334 5.003 5.003 359 2HB GLN 49 1HB GLN 49 -10.138 3.927 3.927 360 1HG GLN 49 2HG GLN 49 -8.705 5.103 5.103 361 2HG GLN 49 1HG GLN 49 -10.317 5.039 5.039 362 1HE2 GLN 49 2HE2 GLN 49 -10.264 1.632 1.632 363 2HE2 GLN 49 1HE2 GLN 49 -11.098 3.141 3.141 364 H GLN 50 H GLN 50 -10.200 8.303 8.303 365 HA GLN 50 HA GLN 50 -9.886 9.678 9.678 366 1HB GLN 50 2HB GLN 50 -9.172 10.328 10.328 367 2HB GLN 50 1HB GLN 50 -10.523 11.391 11.391 368 1HG GLN 50 2HG GLN 50 -9.380 12.491 12.491 369 2HG GLN 50 1HG GLN 50 -8.308 11.131 11.131 370 1HE2 GLN 50 2HE2 GLN 50 -6.402 13.806 13.806 371 2HE2 GLN 50 1HE2 GLN 50 -7.328 13.675 13.675 372 H ARG 51 H ARG 51 -11.631 9.927 9.927 373 HA ARG 51 HA ARG 51 -14.247 9.418 9.418 374 1HB ARG 51 2HB ARG 51 -13.230 11.148 11.148 375 2HB ARG 51 1HB ARG 51 -14.895 10.608 10.608 376 1HG ARG 51 2HG ARG 51 -12.463 8.886 8.886 377 2HG ARG 51 1HG ARG 51 -13.763 9.200 9.200 378 1HD ARG 51 2HD ARG 51 -15.216 8.245 8.245 379 2HD ARG 51 1HD ARG 51 -13.698 7.415 7.415 380 HE ARG 51 HE ARG 51 -14.074 6.081 6.081 381 1HH1 ARG 51 2HH1 ARG 51 -16.124 8.894 8.894 382 2HH1 ARG 51 1HH1 ARG 51 -16.990 8.298 8.298 383 1HH2 ARG 51 1HH2 ARG 51 -15.211 5.296 5.296 384 2HH2 ARG 51 2HH2 ARG 51 -16.471 6.256 6.256 385 H ASN 52 H ASN 52 -13.434 12.682 12.682 386 HA ASN 52 HA ASN 52 -15.228 13.743 13.743 387 1HB ASN 52 2HB ASN 52 -14.228 15.708 15.708 388 2HB ASN 52 1HB ASN 52 -15.885 15.279 15.279 389 1HD2 ASN 52 2HD2 ASN 52 -16.358 13.884 13.884 390 2HD2 ASN 52 1HD2 ASN 52 -16.934 14.844 14.844 391 H GLY 53 H GLY 53 -12.358 12.910 12.910 392 1HA GLY 53 2HA GLY 53 -10.861 13.691 13.691 393 2HA GLY 53 1HA GLY 53 -11.577 15.289 15.289 394 H ARG 54 H ARG 54 -10.851 13.838 13.838 395 HA ARG 54 HA ARG 54 -8.202 15.062 15.062 396 1HB ARG 54 2HB ARG 54 -8.826 16.067 16.067 397 2HB ARG 54 1HB ARG 54 -9.560 16.823 16.823 398 1HG ARG 54 2HG ARG 54 -11.502 16.624 16.624 399 2HG ARG 54 1HG ARG 54 -11.395 14.892 14.892 400 1HD ARG 54 2HD ARG 54 -11.737 14.972 14.972 401 2HD ARG 54 1HD ARG 54 -9.982 14.833 14.833 402 HE ARG 54 HE ARG 54 -10.541 17.536 17.536 403 1HH1 ARG 54 2HH1 ARG 54 -11.026 14.785 14.785 404 2HH1 ARG 54 1HH1 ARG 54 -10.948 15.721 15.721 405 1HH2 ARG 54 1HH2 ARG 54 -10.439 18.768 18.768 406 2HH2 ARG 54 2HH2 ARG 54 -10.616 17.982 17.982 407 H LYS 55 H LYS 55 -10.640 13.124 13.124 408 HA LYS 55 HA LYS 55 -8.720 11.924 11.924 409 1HB LYS 55 2HB LYS 55 -11.226 12.218 12.218 410 2HB LYS 55 1HB LYS 55 -11.460 10.836 10.836 411 1HG LYS 55 2HG LYS 55 -11.486 10.134 10.134 412 2HG LYS 55 1HG LYS 55 -10.072 9.468 9.468 413 1HD LYS 55 2HD LYS 55 -9.518 10.310 10.310 414 2HD LYS 55 1HD LYS 55 -8.668 11.201 11.201 415 1HE LYS 55 2HE LYS 55 -10.033 13.084 13.084 416 2HE LYS 55 1HE LYS 55 -11.279 12.179 12.179 417 1HZ LYS 55 3HZ LYS 55 -9.585 11.882 11.882 418 2HZ LYS 55 2HZ LYS 55 -8.628 13.025 13.025 419 3HZ LYS 55 1HZ LYS 55 -10.154 13.462 13.462 420 H THR 56 H THR 56 -7.330 11.453 11.453 421 HA THR 56 HA THR 56 -8.060 9.256 9.256 422 HB THR 56 HB THR 56 -5.199 9.817 9.817 423 HG1 THR 56 HG1 THR 56 -5.234 11.901 11.901 424 1HG2 THR 56 1HG2 THR 56 -7.173 9.395 9.395 425 2HG2 THR 56 3HG2 THR 56 -5.962 10.618 10.618 426 3HG2 THR 56 2HG2 THR 56 -5.458 8.984 8.984 427 H LEU 57 H LEU 57 -7.412 7.140 7.140 428 HA LEU 57 HA LEU 57 -5.811 6.252 6.252 429 1HB LEU 57 2HB LEU 57 -8.670 5.741 5.741 430 2HB LEU 57 1HB LEU 57 -7.726 4.299 4.299 431 HG LEU 57 HG LEU 57 -7.511 6.689 6.689 432 1HD1 LEU 57 3HD1 LEU 57 -9.750 4.758 4.758 433 2HD1 LEU 57 2HD1 LEU 57 -9.199 5.194 5.194 434 3HD1 LEU 57 1HD1 LEU 57 -9.754 6.447 6.447 435 1HD2 LEU 57 2HD2 LEU 57 -6.690 3.855 3.855 436 2HD2 LEU 57 1HD2 LEU 57 -5.914 5.269 5.269 437 3HD2 LEU 57 3HD2 LEU 57 -7.279 4.504 4.504 438 H THR 58 H THR 58 -4.145 5.661 5.661 439 HA THR 58 HA THR 58 -4.527 4.139 4.139 440 HB THR 58 HB THR 58 -2.049 4.536 4.536 441 HG1 THR 58 HG1 THR 58 -3.221 6.380 6.380 442 1HG2 THR 58 2HG2 THR 58 -2.364 2.749 2.749 443 2HG2 THR 58 1HG2 THR 58 -1.604 4.162 4.162 444 3HG2 THR 58 3HG2 THR 58 -0.845 3.368 3.368 445 H THR 59 H THR 59 -5.060 2.059 2.059 446 HA THR 59 HA THR 59 -4.521 0.314 0.314 447 HB THR 59 HB THR 59 -6.126 -1.149 -1.149 448 HG1 THR 59 HG1 THR 59 -6.873 0.280 0.280 449 1HG2 THR 59 3HG2 THR 59 -6.469 0.284 0.284 450 2HG2 THR 59 2HG2 THR 59 -7.957 0.212 0.212 451 3HG2 THR 59 1HG2 THR 59 -7.114 -1.276 -1.276 452 H VAL 60 H VAL 60 -4.042 -1.991 -1.991 453 HA VAL 60 HA VAL 60 -2.427 -2.268 -2.268 454 HB VAL 60 HB VAL 60 -1.526 -3.205 -3.205 455 1HG1 VAL 60 3HG1 VAL 60 -0.826 -4.563 -4.563 456 2HG1 VAL 60 2HG1 VAL 60 0.025 -3.135 -3.135 457 3HG1 VAL 60 1HG1 VAL 60 0.500 -3.880 -3.880 458 1HG2 VAL 60 2HG2 VAL 60 -0.883 -0.767 -0.767 459 2HG2 VAL 60 1HG2 VAL 60 -1.216 -0.918 -0.918 460 3HG2 VAL 60 3HG2 VAL 60 0.328 -1.468 -1.468 461 H GLN 61 H GLN 61 -3.168 -3.926 -3.926 462 HA GLN 61 HA GLN 61 -4.342 -6.207 -6.207 463 1HB GLN 61 2HB GLN 61 -4.945 -6.181 -6.181 464 2HB GLN 61 1HB GLN 61 -6.037 -6.255 -6.255 465 1HG GLN 61 2HG GLN 61 -5.734 -3.755 -3.755 466 2HG GLN 61 1HG GLN 61 -4.942 -3.822 -3.822 467 1HE2 GLN 61 2HE2 GLN 61 -8.214 -5.246 -5.246 468 2HE2 GLN 61 1HE2 GLN 61 -6.698 -5.993 -5.993 469 H GLY 62 H GLY 62 -3.659 -8.260 -8.260 470 1HA GLY 62 2HA GLY 62 -2.542 -9.828 -9.828 471 2HA GLY 62 1HA GLY 62 -1.469 -8.516 -8.516 472 H ILE 63 H ILE 63 -1.347 -7.664 -7.664 473 HA ILE 63 HA ILE 63 0.984 -9.165 -9.165 474 HB ILE 63 HB ILE 63 -0.542 -7.019 -7.019 475 1HG1 ILE 63 2HG1 ILE 63 0.540 -5.955 -5.955 476 2HG1 ILE 63 1HG1 ILE 63 1.753 -5.845 -5.845 477 1HG2 ILE 63 3HG2 ILE 63 1.561 -8.792 -8.792 478 2HG2 ILE 63 2HG2 ILE 63 1.914 -7.080 -7.080 479 3HG2 ILE 63 1HG2 ILE 63 0.437 -7.767 -7.767 480 1HD1 ILE 63 3HD1 ILE 63 2.633 -8.061 -8.061 481 2HD1 ILE 63 2HD1 ILE 63 1.725 -7.513 -7.513 482 3HD1 ILE 63 1HD1 ILE 63 3.009 -6.505 -6.505 483 H ALA 64 H ALA 64 1.325 -10.557 -10.557 484 HA ALA 64 HA ALA 64 -0.980 -12.102 -12.102 485 1HB ALA 64 1HB ALA 64 1.295 -13.038 -13.038 486 2HB ALA 64 3HB ALA 64 1.839 -12.551 -12.551 487 3HB ALA 64 2HB ALA 64 0.533 -13.725 -13.725 488 H ASP 65 H ASP 65 -1.863 -12.247 -12.247 489 HA ASP 65 HA ASP 65 -1.547 -10.072 -10.072 490 1HB ASP 65 2HB ASP 65 -3.033 -11.450 -11.450 491 2HB ASP 65 1HB ASP 65 -3.680 -11.136 -11.136 492 H ASP 66 H ASP 66 0.281 -12.888 -12.888 493 HA ASP 66 HA ASP 66 1.135 -13.010 -13.010 494 1HB ASP 66 2HB ASP 66 1.271 -14.787 -14.787 495 2HB ASP 66 1HB ASP 66 2.737 -14.777 -14.777 496 H TYR 67 H TYR 67 1.752 -10.681 -10.681 497 HA TYR 67 HA TYR 67 4.615 -10.843 -10.843 498 1HB TYR 67 2HB TYR 67 2.480 -8.841 -8.841 499 2HB TYR 67 1HB TYR 67 4.152 -8.300 -8.300 500 HD1 TYR 67 HD1 TYR 67 3.686 -11.694 -11.694 501 HD2 TYR 67 HD2 TYR 67 3.763 -7.623 -7.623 502 HE1 TYR 67 HE1 TYR 67 4.005 -12.404 -12.404 503 HE2 TYR 67 HE2 TYR 67 4.080 -8.313 -8.313 504 HH TYR 67 HH TYR 67 3.620 -11.494 -11.494 505 H ASP 68 H ASP 68 3.353 -10.943 -10.943 506 HA ASP 68 HA ASP 68 4.124 -10.373 -10.373 507 1HB ASP 68 2HB ASP 68 6.274 -9.768 -9.768 508 2HB ASP 68 1HB ASP 68 5.715 -8.104 -8.104 509 H LYS 69 H LYS 69 2.658 -8.193 -8.193 510 HA LYS 69 HA LYS 69 1.130 -6.540 -6.540 511 1HB LYS 69 2HB LYS 69 0.052 -8.090 -8.090 512 2HB LYS 69 1HB LYS 69 1.063 -7.499 -7.499 513 1HG LYS 69 2HG LYS 69 0.049 -5.228 -5.228 514 2HG LYS 69 1HG LYS 69 -1.103 -6.023 -6.023 515 1HD LYS 69 2HD LYS 69 -2.267 -6.907 -6.907 516 2HD LYS 69 1HD LYS 69 -0.808 -7.307 -7.307 517 1HE LYS 69 2HE LYS 69 -0.739 -4.648 -4.648 518 2HE LYS 69 1HE LYS 69 -2.480 -4.863 -4.863 519 1HZ LYS 69 1HZ LYS 69 -1.120 -6.623 -6.623 520 2HZ LYS 69 3HZ LYS 69 -1.279 -4.999 -4.999 521 3HZ LYS 69 2HZ LYS 69 -2.654 -5.917 -5.917 522 H LYS 70 H LYS 70 2.655 -6.392 -6.392 523 HA LYS 70 HA LYS 70 2.800 -3.644 -3.644 524 1HB LYS 70 2HB LYS 70 4.475 -3.961 -3.961 525 2HB LYS 70 1HB LYS 70 3.213 -5.176 -5.176 526 1HG LYS 70 2HG LYS 70 4.686 -6.790 -6.790 527 2HG LYS 70 1HG LYS 70 5.959 -5.567 -5.567 528 1HD LYS 70 2HD LYS 70 4.641 -6.287 -6.287 529 2HD LYS 70 1HD LYS 70 5.856 -7.372 -7.372 530 1HE LYS 70 2HE LYS 70 7.466 -6.072 -6.072 531 2HE LYS 70 1HE LYS 70 6.865 -4.726 -4.726 532 1HZ LYS 70 3HZ LYS 70 5.540 -5.362 -5.362 533 2HZ LYS 70 2HZ LYS 70 7.012 -4.531 -4.531 534 3HZ LYS 70 1HZ LYS 70 5.687 -3.874 -3.874 535 H LYS 71 H LYS 71 5.277 -5.868 -5.868 536 HA LYS 71 HA LYS 71 7.252 -3.972 -3.972 537 1HB LYS 71 2HB LYS 71 6.973 -6.702 -6.702 538 2HB LYS 71 1HB LYS 71 7.148 -6.108 -6.108 539 1HG LYS 71 2HG LYS 71 9.043 -5.186 -5.186 540 2HG LYS 71 1HG LYS 71 9.244 -6.781 -6.781 541 1HD LYS 71 2HD LYS 71 8.775 -4.687 -4.687 542 2HD LYS 71 1HD LYS 71 10.220 -4.403 -4.403 543 1HE LYS 71 2HE LYS 71 10.977 -6.698 -6.698 544 2HE LYS 71 1HE LYS 71 9.572 -6.891 -6.891 545 1HZ LYS 71 2HZ LYS 71 10.505 -4.736 -4.736 546 2HZ LYS 71 1HZ LYS 71 11.962 -5.231 -5.231 547 3HZ LYS 71 3HZ LYS 71 11.165 -6.240 -6.240 548 H LEU 72 H LEU 72 4.224 -4.344 -4.344 549 HA LEU 72 HA LEU 72 5.117 -3.084 -3.084 550 1HB LEU 72 2HB LEU 72 2.474 -4.273 -4.273 551 2HB LEU 72 1HB LEU 72 2.712 -3.429 -3.429 552 HG LEU 72 HG LEU 72 3.660 -5.216 -5.216 553 1HD1 LEU 72 3HD1 LEU 72 5.731 -4.913 -4.913 554 2HD1 LEU 72 2HD1 LEU 72 5.055 -5.948 -5.948 555 3HD1 LEU 72 1HD1 LEU 72 5.376 -6.607 -6.607 556 1HD2 LEU 72 2HD2 LEU 72 1.832 -6.060 -6.060 557 2HD2 LEU 72 1HD2 LEU 72 2.296 -6.894 -6.894 558 3HD2 LEU 72 3HD2 LEU 72 3.156 -7.224 -7.224 559 H VAL 73 H VAL 73 2.496 -2.601 -2.601 560 HA VAL 73 HA VAL 73 2.116 0.120 0.120 561 HB VAL 73 HB VAL 73 0.841 -1.643 -1.643 562 1HG1 VAL 73 2HG1 VAL 73 0.440 1.344 1.344 563 2HG1 VAL 73 1HG1 VAL 73 -0.562 0.227 0.227 564 3HG1 VAL 73 3HG1 VAL 73 1.132 0.456 0.456 565 1HG2 VAL 73 3HG2 VAL 73 -0.044 -0.140 -0.140 566 2HG2 VAL 73 2HG2 VAL 73 -0.136 -1.870 -1.870 567 3HG2 VAL 73 1HG2 VAL 73 -1.206 -0.752 -0.752 568 H LYS 74 H LYS 74 3.265 -1.445 -1.445 569 HA LYS 74 HA LYS 74 3.865 0.837 0.837 570 1HB LYS 74 2HB LYS 74 4.118 -1.774 -1.774 571 2HB LYS 74 1HB LYS 74 5.799 -1.420 -1.420 572 1HG LYS 74 2HG LYS 74 5.803 -1.069 -1.069 573 2HG LYS 74 1HG LYS 74 5.418 0.559 0.559 574 1HD LYS 74 2HD LYS 74 2.938 -0.497 -0.497 575 2HD LYS 74 1HD LYS 74 3.753 -1.393 -1.393 576 1HE LYS 74 2HE LYS 74 3.627 1.607 1.607 577 2HE LYS 74 1HE LYS 74 2.730 0.632 0.632 578 1HZ LYS 74 1HZ LYS 74 5.233 -0.130 -0.130 579 2HZ LYS 74 3HZ LYS 74 5.505 1.470 1.470 580 3HZ LYS 74 2HZ LYS 74 4.457 1.137 1.137 581 H ALA 75 H ALA 75 5.821 -0.869 -0.869 582 HA ALA 75 HA ALA 75 8.090 0.835 0.835 583 1HB ALA 75 2HB ALA 75 7.210 -1.133 -1.133 584 2HB ALA 75 1HB ALA 75 8.696 -0.195 -0.195 585 3HB ALA 75 3HB ALA 75 8.487 -1.313 -1.313 586 H PHE 76 H PHE 76 5.408 0.622 0.622 587 HA PHE 76 HA PHE 76 6.085 2.610 2.610 588 1HB PHE 76 2HB PHE 76 3.960 1.117 1.117 589 2HB PHE 76 1HB PHE 76 3.263 2.444 2.444 590 HD1 PHE 76 HD2 PHE 76 4.601 1.423 1.423 591 HD2 PHE 76 HD1 PHE 76 2.644 4.492 4.492 592 HE1 PHE 76 HE2 PHE 76 4.066 2.578 2.578 593 HE2 PHE 76 HE1 PHE 76 2.106 5.656 5.656 594 HZ PHE 76 HZ PHE 76 2.816 4.700 4.700 595 H LYS 77 H LYS 77 4.433 3.041 3.041 596 HA LYS 77 HA LYS 77 4.128 5.833 5.833 597 1HB LYS 77 2HB LYS 77 4.435 4.127 4.127 598 2HB LYS 77 1HB LYS 77 3.782 5.758 5.758 599 1HG LYS 77 2HG LYS 77 1.770 5.069 5.069 600 2HG LYS 77 1HG LYS 77 2.448 3.836 3.836 601 1HD LYS 77 2HD LYS 77 1.730 2.342 2.342 602 2HD LYS 77 1HD LYS 77 3.039 2.905 2.905 603 1HE LYS 77 2HE LYS 77 0.367 4.270 4.270 604 2HE LYS 77 1HE LYS 77 0.658 2.849 2.849 605 1HZ LYS 77 1HZ LYS 77 2.670 4.174 4.174 606 2HZ LYS 77 3HZ LYS 77 1.883 5.524 5.524 607 3HZ LYS 77 2HZ LYS 77 1.136 4.608 4.608 608 H LYS 78 H LYS 78 6.863 3.854 3.854 609 HA LYS 78 HA LYS 78 8.350 5.985 5.985 610 1HB LYS 78 2HB LYS 78 8.481 3.345 3.345 611 2HB LYS 78 1HB LYS 78 9.674 3.504 3.504 612 1HG LYS 78 2HG LYS 78 10.693 5.339 5.339 613 2HG LYS 78 1HG LYS 78 9.745 4.565 4.565 614 1HD LYS 78 2HD LYS 78 11.788 3.211 3.211 615 2HD LYS 78 1HD LYS 78 12.021 3.674 3.674 616 1HE LYS 78 2HE LYS 78 10.136 1.604 1.604 617 2HE LYS 78 1HE LYS 78 11.511 1.349 1.349 618 1HZ LYS 78 1HZ LYS 78 10.185 2.912 2.912 619 2HZ LYS 78 3HZ LYS 78 8.856 2.458 2.458 620 3HZ LYS 78 2HZ LYS 78 9.745 1.283 1.283 621 H LYS 79 H LYS 79 7.797 4.863 4.863 622 HA LYS 79 HA LYS 79 10.217 6.192 6.192 623 1HB LYS 79 2HB LYS 79 9.190 3.757 3.757 624 2HB LYS 79 1HB LYS 79 8.518 4.759 4.759 625 1HG LYS 79 2HG LYS 79 11.073 5.597 5.597 626 2HG LYS 79 1HG LYS 79 11.297 3.933 3.933 627 1HD LYS 79 2HD LYS 79 10.613 3.051 3.051 628 2HD LYS 79 1HD LYS 79 9.435 4.334 4.334 629 1HE LYS 79 2HE LYS 79 11.031 4.705 4.705 630 2HE LYS 79 1HE LYS 79 11.497 5.835 5.835 631 1HZ LYS 79 2HZ LYS 79 12.689 3.146 3.146 632 2HZ LYS 79 1HZ LYS 79 13.276 4.343 4.343 633 3HZ LYS 79 3HZ LYS 79 13.320 4.582 4.582 634 H PHE 80 H PHE 80 6.695 6.240 6.240 635 HA PHE 80 HA PHE 80 6.949 8.709 8.709 636 1HB PHE 80 2HB PHE 80 4.518 6.936 6.936 637 2HB PHE 80 1HB PHE 80 4.979 8.179 8.179 638 HD1 PHE 80 HD2 PHE 80 5.520 4.737 4.737 639 HD2 PHE 80 HD1 PHE 80 6.634 7.743 7.743 640 HE1 PHE 80 HE2 PHE 80 6.598 3.026 3.026 641 HE2 PHE 80 HE1 PHE 80 7.714 6.038 6.038 642 HZ PHE 80 HZ PHE 80 7.698 3.676 3.676 643 H ALA 81 H ALA 81 5.946 7.467 7.467 644 HA ALA 81 HA ALA 81 4.848 8.392 8.392 645 1HB ALA 81 2HB ALA 81 6.244 10.425 10.425 646 2HB ALA 81 1HB ALA 81 4.616 11.057 11.057 647 3HB ALA 81 3HB ALA 81 5.158 10.611 10.611 648 H CYS 82 H CYS 82 3.378 7.223 7.223 649 HA CYS 82 HA CYS 82 0.880 8.777 8.777 650 1HB CYS 82 2HB CYS 82 1.518 6.490 6.490 651 2HB CYS 82 1HB CYS 82 0.199 7.647 7.647 652 HG CYS 82 HG CYS 82 2.942 8.948 8.948 653 H ASN 83 H ASN 83 -1.129 7.578 7.578 654 HA ASN 83 HA ASN 83 -0.834 5.544 5.544 655 1HB ASN 83 2HB ASN 83 -2.532 6.890 6.890 656 2HB ASN 83 1HB ASN 83 -2.973 7.366 7.366 657 1HD2 ASN 83 2HD2 ASN 83 -5.270 4.728 4.728 658 2HD2 ASN 83 1HD2 ASN 83 -4.147 5.759 5.759 659 H GLY 84 H GLY 84 -0.874 3.439 3.439 660 1HA GLY 84 2HA GLY 84 -2.046 2.510 2.510 661 2HA GLY 84 1HA GLY 84 -0.689 1.734 1.734 662 H THR 85 H THR 85 -3.749 1.197 1.197 663 HA THR 85 HA THR 85 -4.225 -0.308 -0.308 664 HB THR 85 HB THR 85 -6.674 0.092 0.092 665 HG1 THR 85 HG1 THR 85 -7.330 1.213 1.213 666 1HG2 THR 85 1HG2 THR 85 -5.418 1.436 1.436 667 2HG2 THR 85 3HG2 THR 85 -5.081 2.616 2.616 668 3HG2 THR 85 2HG2 THR 85 -6.742 2.332 2.332 669 H VAL 86 H VAL 86 -4.145 -2.395 -2.395 670 HA VAL 86 HA VAL 86 -4.449 -3.471 -3.471 671 HB VAL 86 HB VAL 86 -2.881 -4.466 -4.466 672 1HG1 VAL 86 1HG1 VAL 86 -4.761 -4.116 -4.116 673 2HG1 VAL 86 3HG1 VAL 86 -5.015 -5.824 -5.824 674 3HG1 VAL 86 2HG1 VAL 86 -3.428 -5.259 -5.259 675 1HG2 VAL 86 1HG2 VAL 86 -4.806 -5.876 -5.876 676 2HG2 VAL 86 3HG2 VAL 86 -3.120 -6.282 -6.282 677 3HG2 VAL 86 2HG2 VAL 86 -4.386 -6.845 -6.845 678 H ILE 87 H ILE 87 -6.392 -3.677 -3.677 679 HA ILE 87 HA ILE 87 -8.638 -4.602 -4.602 680 HB ILE 87 HB ILE 87 -10.140 -3.456 -3.456 681 1HG1 ILE 87 2HG1 ILE 87 -7.644 -2.015 -2.015 682 2HG1 ILE 87 1HG1 ILE 87 -8.354 -3.352 -3.352 683 1HG2 ILE 87 2HG2 ILE 87 -9.624 -2.452 -2.452 684 2HG2 ILE 87 1HG2 ILE 87 -8.190 -1.686 -1.686 685 3HG2 ILE 87 3HG2 ILE 87 -9.797 -1.213 -1.213 686 1HD1 ILE 87 1HD1 ILE 87 -10.420 -2.075 -2.075 687 2HD1 ILE 87 3HD1 ILE 87 -9.697 -0.735 -0.735 688 3HD1 ILE 87 2HD1 ILE 87 -9.032 -1.219 -1.219 689 H GLU 88 H GLU 88 -10.284 -5.859 -5.859 690 HA GLU 88 HA GLU 88 -9.109 -7.509 -7.509 691 1HB GLU 88 2HB GLU 88 -9.772 -8.523 -8.523 692 2HB GLU 88 1HB GLU 88 -11.431 -8.324 -8.324 693 1HG GLU 88 2HG GLU 88 -10.916 -9.703 -9.703 694 2HG GLU 88 1HG GLU 88 -9.284 -9.944 -9.944 695 H HIS 89 H HIS 89 -9.851 -5.696 -5.696 696 HA HIS 89 HA HIS 89 -12.488 -4.972 -4.972 697 1HB HIS 89 2HB HIS 89 -10.180 -4.212 -4.212 698 2HB HIS 89 1HB HIS 89 -10.744 -5.269 -5.269 699 HD1 HIS 89 HD1 HIS 89 -12.272 -4.231 -4.231 700 HD2 HIS 89 HD2 HIS 89 -12.168 -2.113 -2.113 701 HE1 HIS 89 HE1 HIS 89 -13.680 -2.183 -2.183 702 HE2 HIS 89 HE2 HIS 89 -13.545 -0.881 -0.881 703 HA PRO 90 HA PRO 90 -14.241 -8.700 -8.700 704 1HB PRO 90 2HB PRO 90 -16.647 -7.740 -7.740 705 2HB PRO 90 1HB PRO 90 -16.190 -7.939 -7.939 706 1HG PRO 90 2HG PRO 90 -16.208 -5.461 -5.461 707 2HG PRO 90 1HG PRO 90 -16.751 -5.683 -5.683 708 1HD PRO 90 2HD PRO 90 -14.321 -4.619 -4.619 709 2HD PRO 90 1HD PRO 90 -14.630 -5.471 -5.471 710 H GLU 91 H GLU 91 -13.742 -5.780 -5.780 711 HA GLU 91 HA GLU 91 -14.586 -6.842 -6.842 712 1HB GLU 91 2HB GLU 91 -14.003 -4.284 -4.284 713 2HB GLU 91 1HB GLU 91 -12.934 -4.537 -4.537 714 1HG GLU 91 2HG GLU 91 -15.022 -3.418 -3.418 715 2HG GLU 91 1HG GLU 91 -14.811 -4.960 -4.960 716 H TYR 92 H TYR 92 -11.679 -6.714 -6.714 717 HA TYR 92 HA TYR 92 -10.197 -7.867 -7.867 718 1HB TYR 92 2HB TYR 92 -8.757 -6.437 -6.437 719 2HB TYR 92 1HB TYR 92 -8.292 -6.655 -6.655 720 HD1 TYR 92 HD1 TYR 92 -10.459 -5.619 -5.619 721 HD2 TYR 92 HD2 TYR 92 -8.920 -4.181 -4.181 722 HE1 TYR 92 HE1 TYR 92 -11.313 -3.376 -3.376 723 HE2 TYR 92 HE2 TYR 92 -9.768 -1.931 -1.931 724 HH TYR 92 HH TYR 92 -10.361 -0.616 -0.616 725 H GLY 93 H GLY 93 -10.249 -7.662 -7.662 726 1HA GLY 93 2HA GLY 93 -10.420 -9.628 -9.628 727 2HA GLY 93 1HA GLY 93 -9.646 -10.540 -10.540 728 H GLU 94 H GLU 94 -9.200 -8.853 -8.853 729 HA GLU 94 HA GLU 94 -7.387 -8.435 -8.435 730 1HB GLU 94 2HB GLU 94 -7.047 -10.888 -10.888 731 2HB GLU 94 1HB GLU 94 -5.913 -10.385 -10.385 732 1HG GLU 94 2HG GLU 94 -5.346 -9.152 -9.152 733 2HG GLU 94 1HG GLU 94 -5.332 -10.912 -10.912 734 H VAL 95 H VAL 95 -7.090 -6.288 -6.288 735 HA VAL 95 HA VAL 95 -4.678 -5.831 -5.831 736 HB VAL 95 HB VAL 95 -5.729 -3.956 -3.956 737 1HG1 VAL 95 2HG1 VAL 95 -5.747 -6.571 -6.571 738 2HG1 VAL 95 1HG1 VAL 95 -7.471 -6.216 -6.216 739 3HG1 VAL 95 3HG1 VAL 95 -6.329 -5.294 -5.294 740 1HG2 VAL 95 1HG2 VAL 95 -7.579 -3.628 -3.628 741 2HG2 VAL 95 3HG2 VAL 95 -8.090 -3.621 -3.621 742 3HG2 VAL 95 2HG2 VAL 95 -8.363 -5.049 -5.049 743 H ILE 96 H ILE 96 -3.441 -4.172 -4.172 744 HA ILE 96 HA ILE 96 -4.053 -3.074 -3.074 745 HB ILE 96 HB ILE 96 -1.784 -2.734 -2.734 746 1HG1 ILE 96 2HG1 ILE 96 -2.242 -4.600 -4.600 747 2HG1 ILE 96 1HG1 ILE 96 -0.619 -4.064 -4.064 748 1HG2 ILE 96 1HG2 ILE 96 -2.207 -1.092 -1.092 749 2HG2 ILE 96 3HG2 ILE 96 -0.673 -1.223 -1.223 750 3HG2 ILE 96 2HG2 ILE 96 -2.073 -0.500 -0.500 751 1HD1 ILE 96 1HD1 ILE 96 -2.035 -2.621 -2.621 752 2HD1 ILE 96 3HD1 ILE 96 -1.430 -4.244 -4.244 753 3HD1 ILE 96 2HD1 ILE 96 -0.320 -2.980 -2.980 754 H GLN 97 H GLN 97 -4.159 -0.769 -0.769 755 HA GLN 97 HA GLN 97 -5.156 0.859 0.859 756 1HB GLN 97 2HB GLN 97 -6.789 -0.232 -0.232 757 2HB GLN 97 1HB GLN 97 -6.529 1.420 1.420 758 1HG GLN 97 2HG GLN 97 -7.118 1.980 1.980 759 2HG GLN 97 1HG GLN 97 -7.920 0.412 0.412 760 1HE2 GLN 97 2HE2 GLN 97 -10.744 1.930 1.930 761 2HE2 GLN 97 1HE2 GLN 97 -10.011 0.874 0.874 762 H LEU 98 H LEU 98 -3.372 2.163 2.163 763 HA LEU 98 HA LEU 98 -2.334 3.419 3.419 764 1HB LEU 98 2HB LEU 98 -1.573 3.953 3.953 765 2HB LEU 98 1HB LEU 98 -0.671 4.394 4.394 766 HG LEU 98 HG LEU 98 -1.232 1.509 1.509 767 1HD1 LEU 98 1HD1 LEU 98 -0.006 3.080 3.080 768 2HD1 LEU 98 3HD1 LEU 98 1.350 2.433 2.433 769 3HD1 LEU 98 2HD1 LEU 98 0.184 1.336 1.336 770 1HD2 LEU 98 1HD2 LEU 98 0.405 3.088 3.088 771 2HD2 LEU 98 3HD2 LEU 98 -0.101 1.400 1.400 772 3HD2 LEU 98 2HD2 LEU 98 1.327 1.836 1.836 773 H GLN 99 H GLN 99 -2.191 5.733 5.733 774 HA GLN 99 HA GLN 99 -4.626 7.035 7.035 775 1HB GLN 99 2HB GLN 99 -3.026 7.180 7.180 776 2HB GLN 99 1HB GLN 99 -3.159 8.783 8.783 777 1HG GLN 99 2HG GLN 99 -5.703 7.405 7.405 778 2HG GLN 99 1HG GLN 99 -5.001 7.534 7.534 779 1HE2 GLN 99 2HE2 GLN 99 -5.449 11.104 11.104 780 2HE2 GLN 99 1HE2 GLN 99 -4.687 9.763 9.763 781 H GLY 100 H GLY 100 -4.690 8.891 8.891 782 1HA GLY 100 2HA GLY 100 -3.893 10.677 10.677 783 2HA GLY 100 1HA GLY 100 -2.264 10.287 10.287 784 H ASP 101 H ASP 101 -2.337 10.990 10.990 785 HA ASP 101 HA ASP 101 -2.886 8.788 8.788 786 1HB ASP 101 2HB ASP 101 -1.858 10.292 10.292 787 2HB ASP 101 1HB ASP 101 -3.231 10.992 10.992 788 H GLN 102 H GLN 102 -1.490 7.275 7.275 789 HA GLN 102 HA GLN 102 1.374 7.643 7.643 790 1HB GLN 102 2HB GLN 102 -0.406 5.839 5.839 791 2HB GLN 102 1HB GLN 102 1.116 5.140 5.140 792 1HG GLN 102 2HG GLN 102 1.017 6.213 6.213 793 2HG GLN 102 1HG GLN 102 2.383 6.609 6.609 794 1HE2 GLN 102 2HE2 GLN 102 -0.523 9.477 9.477 795 2HE2 GLN 102 1HE2 GLN 102 -0.934 7.820 7.820 796 H ARG 103 H ARG 103 -0.852 6.907 6.907 797 HA ARG 103 HA ARG 103 -0.396 4.445 4.445 798 1HB ARG 103 2HB ARG 103 -2.047 6.095 6.095 799 2HB ARG 103 1HB ARG 103 -0.738 7.039 7.039 800 1HG ARG 103 2HG ARG 103 -0.791 4.233 4.233 801 2HG ARG 103 1HG ARG 103 -2.194 5.180 5.180 802 1HD ARG 103 2HD ARG 103 0.670 5.994 5.994 803 2HD ARG 103 1HD ARG 103 -0.344 5.183 5.183 804 HE ARG 103 HE ARG 103 -1.653 7.495 7.495 805 1HH1 ARG 103 2HH1 ARG 103 1.071 6.545 6.545 806 2HH1 ARG 103 1HH1 ARG 103 1.018 7.967 7.967 807 1HH2 ARG 103 1HH2 ARG 103 -1.725 9.368 9.368 808 2HH2 ARG 103 2HH2 ARG 103 -0.569 9.570 9.570 809 H LYS 104 H LYS 104 1.709 7.217 7.217 810 HA LYS 104 HA LYS 104 3.567 5.898 5.898 811 1HB LYS 104 2HB LYS 104 3.495 8.709 8.709 812 2HB LYS 104 1HB LYS 104 4.782 8.090 8.090 813 1HG LYS 104 2HG LYS 104 3.610 8.693 8.693 814 2HG LYS 104 1HG LYS 104 2.374 7.515 7.515 815 1HD LYS 104 2HD LYS 104 0.993 9.263 9.263 816 2HD LYS 104 1HD LYS 104 1.853 9.630 9.630 817 1HE LYS 104 2HE LYS 104 2.277 11.614 11.614 818 2HE LYS 104 1HE LYS 104 3.484 10.745 10.745 819 1HZ LYS 104 3HZ LYS 104 0.672 11.038 11.038 820 2HZ LYS 104 2HZ LYS 104 1.875 12.158 12.158 821 3HZ LYS 104 1HZ LYS 104 2.007 10.553 10.553 822 H ASN 105 H ASN 105 3.094 6.592 6.592 823 HA ASN 105 HA ASN 105 5.899 6.241 6.241 824 1HB ASN 105 2HB ASN 105 3.420 6.966 6.966 825 2HB ASN 105 1HB ASN 105 4.748 6.250 6.250 826 1HD2 ASN 105 2HD2 ASN 105 4.830 10.101 10.101 827 2HD2 ASN 105 1HD2 ASN 105 3.450 9.076 9.076 828 H ILE 106 H ILE 106 2.907 4.405 4.405 829 HA ILE 106 HA ILE 106 3.836 2.305 2.305 830 HB ILE 106 HB ILE 106 1.448 2.709 2.709 831 1HG1 ILE 106 2HG1 ILE 106 0.804 0.367 0.367 832 2HG1 ILE 106 1HG1 ILE 106 2.366 -0.054 -0.054 833 1HG2 ILE 106 3HG2 ILE 106 1.736 3.182 3.182 834 2HG2 ILE 106 2HG2 ILE 106 1.935 1.450 1.450 835 3HG2 ILE 106 1HG2 ILE 106 0.415 2.078 2.078 836 1HD1 ILE 106 3HD1 ILE 106 2.564 1.335 1.335 837 2HD1 ILE 106 2HD1 ILE 106 1.700 -0.201 -0.201 838 3HD1 ILE 106 1HD1 ILE 106 3.342 -0.148 -0.148 839 H CYS 107 H CYS 107 3.634 2.568 2.568 840 HA CYS 107 HA CYS 107 4.673 0.075 0.075 841 1HB CYS 107 2HB CYS 107 5.466 1.152 1.152 842 2HB CYS 107 1HB CYS 107 3.795 1.550 1.550 843 HG CYS 107 HG CYS 107 6.173 3.533 3.533 844 H GLN 108 H GLN 108 6.227 3.002 3.002 845 HA GLN 108 HA GLN 108 8.918 2.236 2.236 846 1HB GLN 108 2HB GLN 108 7.526 4.327 4.327 847 2HB GLN 108 1HB GLN 108 9.195 3.967 3.967 848 1HG GLN 108 2HG GLN 108 8.598 4.421 4.421 849 2HG GLN 108 1HG GLN 108 8.490 5.815 5.815 850 1HE2 GLN 108 2HE2 GLN 108 12.124 3.957 3.957 851 2HE2 GLN 108 1HE2 GLN 108 10.663 3.064 3.064 852 H PHE 109 H PHE 109 6.870 2.212 2.212 853 HA PHE 109 HA PHE 109 8.679 1.083 1.083 854 1HB PHE 109 2HB PHE 109 6.491 2.133 2.133 855 2HB PHE 109 1HB PHE 109 5.676 0.710 0.710 856 HD1 PHE 109 HD2 PHE 109 8.358 1.583 1.583 857 HD2 PHE 109 HD1 PHE 109 5.044 -0.907 -0.907 858 HE1 PHE 109 HE2 PHE 109 8.530 0.512 0.512 859 HE2 PHE 109 HE1 PHE 109 5.206 -1.979 -1.979 860 HZ PHE 109 HZ PHE 109 6.951 -1.270 -1.270 861 H LEU 110 H LEU 110 6.403 -0.436 -0.436 862 HA LEU 110 HA LEU 110 6.677 -3.082 -3.082 863 1HB LEU 110 2HB LEU 110 5.816 -1.746 -1.746 864 2HB LEU 110 1HB LEU 110 6.197 -3.454 -3.454 865 HG LEU 110 HG LEU 110 4.453 -4.039 -4.039 866 1HD1 LEU 110 2HD1 LEU 110 4.881 -2.240 -2.240 867 2HD1 LEU 110 1HD1 LEU 110 4.032 -1.114 -1.114 868 3HD1 LEU 110 3HD1 LEU 110 3.169 -2.477 -2.477 869 1HD2 LEU 110 1HD2 LEU 110 3.891 -3.087 -3.087 870 2HD2 LEU 110 3HD2 LEU 110 2.597 -3.461 -3.461 871 3HD2 LEU 110 2HD2 LEU 110 3.126 -1.793 -1.793 872 H VAL 111 H VAL 111 8.688 -1.098 -1.098 873 HA VAL 111 HA VAL 111 10.416 -3.378 -3.378 874 HB VAL 111 HB VAL 111 10.614 -0.506 -0.506 875 1HG1 VAL 111 3HG1 VAL 111 12.244 -2.938 -2.938 876 2HG1 VAL 111 2HG1 VAL 111 11.968 -1.854 -1.854 877 3HG1 VAL 111 1HG1 VAL 111 12.736 -1.247 -1.247 878 1HG2 VAL 111 1HG2 VAL 111 8.625 -2.141 -2.141 879 2HG2 VAL 111 3HG2 VAL 111 9.345 -0.989 -0.989 880 3HG2 VAL 111 2HG2 VAL 111 9.840 -2.682 -2.682 881 H GLU 112 H GLU 112 10.173 -0.639 -0.639 882 HA GLU 112 HA GLU 112 12.903 -0.244 -0.244 883 1HB GLU 112 2HB GLU 112 10.315 0.744 0.744 884 2HB GLU 112 1HB GLU 112 11.362 0.517 0.517 885 1HG GLU 112 2HG GLU 112 11.396 2.785 2.785 886 2HG GLU 112 1HG GLU 112 12.974 2.007 2.007 887 H ILE 113 H ILE 113 10.289 -2.105 -2.105 888 HA ILE 113 HA ILE 113 12.160 -3.221 -3.221 889 HB ILE 113 HB ILE 113 10.271 -4.018 -4.018 890 1HG1 ILE 113 2HG1 ILE 113 8.725 -3.399 -3.399 891 2HG1 ILE 113 1HG1 ILE 113 8.879 -4.946 -4.946 892 1HG2 ILE 113 3HG2 ILE 113 10.778 -1.565 -1.565 893 2HG2 ILE 113 2HG2 ILE 113 9.460 -1.328 -1.328 894 3HG2 ILE 113 1HG2 ILE 113 9.127 -1.989 -1.989 895 1HD1 ILE 113 2HD1 ILE 113 7.728 -3.147 -3.147 896 2HD1 ILE 113 1HD1 ILE 113 6.887 -2.940 -2.940 897 3HD1 ILE 113 3HD1 ILE 113 6.980 -4.534 -4.534 898 H GLY 114 H GLY 114 10.402 -4.085 -4.085 899 1HA GLY 114 2HA GLY 114 11.114 -5.942 -5.942 900 2HA GLY 114 1HA GLY 114 11.604 -6.768 -6.768 901 H LEU 115 H LEU 115 8.569 -5.079 -5.079 902 HA LEU 115 HA LEU 115 7.109 -7.442 -7.442 903 1HB LEU 115 2HB LEU 115 6.715 -4.695 -4.695 904 2HB LEU 115 1HB LEU 115 5.487 -5.214 -5.214 905 HG LEU 115 HG LEU 115 4.479 -6.656 -6.656 906 1HD1 LEU 115 1HD1 LEU 115 7.047 -6.346 -6.346 907 2HD1 LEU 115 3HD1 LEU 115 5.567 -6.722 -6.722 908 3HD1 LEU 115 2HD1 LEU 115 6.138 -7.806 -7.806 909 1HD2 LEU 115 2HD2 LEU 115 4.653 -3.943 -3.943 910 2HD2 LEU 115 1HD2 LEU 115 3.514 -5.033 -5.033 911 3HD2 LEU 115 3HD2 LEU 115 5.022 -4.599 -4.599 912 H ALA 116 H ALA 116 6.428 -5.169 -5.169 913 HA ALA 116 HA ALA 116 5.460 -7.414 -7.414 914 1HB ALA 116 2HB ALA 116 4.201 -5.180 -5.180 915 2HB ALA 116 1HB ALA 116 5.301 -4.551 -4.551 916 3HB ALA 116 3HB ALA 116 4.227 -5.895 -5.895 917 H LYS 117 H LYS 117 6.220 -7.820 -7.820 918 HA LYS 117 HA LYS 117 9.014 -7.218 -7.218 919 1HB LYS 117 2HB LYS 117 7.073 -9.109 -9.109 920 2HB LYS 117 1HB LYS 117 8.184 -8.480 -8.480 921 1HG LYS 117 2HG LYS 117 9.339 -9.420 -9.420 922 2HG LYS 117 1HG LYS 117 8.725 -10.634 -10.634 923 1HD LYS 117 2HD LYS 117 10.770 -10.495 -10.495 924 2HD LYS 117 1HD LYS 117 10.142 -9.027 -9.027 925 1HE LYS 117 2HE LYS 117 11.065 -7.681 -7.681 926 2HE LYS 117 1HE LYS 117 11.619 -9.130 -9.130 927 1HZ LYS 117 3HZ LYS 117 12.770 -9.434 -9.434 928 2HZ LYS 117 2HZ LYS 117 12.777 -7.746 -7.746 929 3HZ LYS 117 1HZ LYS 117 13.521 -8.685 -8.685 930 H ASP 118 H ASP 118 9.939 -6.077 -6.077 931 HA ASP 118 HA ASP 118 8.747 -3.700 -3.700 932 1HB ASP 118 2HB ASP 118 10.758 -5.105 -5.105 933 2HB ASP 118 1HB ASP 118 10.526 -3.372 -3.372 934 H ASP 119 H ASP 119 8.510 -6.836 -6.836 935 HA ASP 119 HA ASP 119 7.224 -5.870 -5.870 936 1HB ASP 119 2HB ASP 119 7.908 -8.546 -8.546 937 2HB ASP 119 1HB ASP 119 6.643 -8.464 -8.464 938 H GLN 120 H GLN 120 6.289 -6.938 -6.938 939 HA GLN 120 HA GLN 120 3.513 -7.319 -7.319 940 1HB GLN 120 2HB GLN 120 4.982 -7.189 -7.189 941 2HB GLN 120 1HB GLN 120 3.256 -7.483 -7.483 942 1HG GLN 120 2HG GLN 120 3.827 -9.475 -9.475 943 2HG GLN 120 1HG GLN 120 5.507 -9.227 -9.227 944 1HE2 GLN 120 2HE2 GLN 120 2.848 -10.167 -10.167 945 2HE2 GLN 120 1HE2 GLN 120 2.400 -9.085 -9.085 946 H LEU 121 H LEU 121 5.476 -4.647 -4.647 947 HA LEU 121 HA LEU 121 3.962 -2.918 -2.918 948 1HB LEU 121 2HB LEU 121 5.763 -2.414 -2.414 949 2HB LEU 121 1HB LEU 121 5.004 -1.104 -1.104 950 HG LEU 121 HG LEU 121 6.788 -3.155 -3.155 951 1HD1 LEU 121 1HD1 LEU 121 7.434 -0.539 -0.539 952 2HD1 LEU 121 3HD1 LEU 121 8.413 -1.158 -1.158 953 3HD1 LEU 121 2HD1 LEU 121 8.256 -2.096 -2.096 954 1HD2 LEU 121 3HD2 LEU 121 5.255 -0.811 -0.811 955 2HD2 LEU 121 2HD2 LEU 121 5.790 -2.234 -2.234 956 3HD2 LEU 121 1HD2 LEU 121 6.912 -0.907 -0.907 957 H LYS 122 H LYS 122 1.769 -3.274 -3.274 958 HA LYS 122 HA LYS 122 0.781 -2.275 -2.275 959 1HB LYS 122 2HB LYS 122 -0.120 -4.389 -4.389 960 2HB LYS 122 1HB LYS 122 -1.405 -3.387 -3.387 961 1HG LYS 122 2HG LYS 122 0.668 -4.820 -4.820 962 2HG LYS 122 1HG LYS 122 -0.962 -5.421 -5.421 963 1HD LYS 122 2HD LYS 122 -1.931 -3.933 -3.933 964 2HD LYS 122 1HD LYS 122 -0.734 -2.678 -2.678 965 1HE LYS 122 2HE LYS 122 0.879 -3.789 -3.789 966 2HE LYS 122 1HE LYS 122 -0.206 -5.158 -5.158 967 1HZ LYS 122 1HZ LYS 122 -1.330 -2.602 -2.602 968 2HZ LYS 122 3HZ LYS 122 -0.004 -3.073 -3.073 969 3HZ LYS 122 2HZ LYS 122 -1.360 -4.077 -4.077 970 H VAL 123 H VAL 123 0.900 -0.078 -0.078 971 HA VAL 123 HA VAL 123 -0.661 0.872 0.872 972 HB VAL 123 HB VAL 123 0.537 2.958 2.958 973 1HG1 VAL 123 1HG1 VAL 123 -0.080 2.450 2.450 974 2HG1 VAL 123 3HG1 VAL 123 1.676 2.277 2.277 975 3HG1 VAL 123 2HG1 VAL 123 0.945 3.779 3.779 976 1HG2 VAL 123 1HG2 VAL 123 2.369 0.707 0.707 977 2HG2 VAL 123 3HG2 VAL 123 2.192 1.476 1.476 978 3HG2 VAL 123 2HG2 VAL 123 2.928 2.362 2.362 979 H HIS 124 H HIS 124 -2.629 1.730 1.730 980 HA HIS 124 HA HIS 124 -3.386 2.804 2.804 981 1HB HIS 124 2HB HIS 124 -5.233 1.080 1.080 982 2HB HIS 124 1HB HIS 124 -5.495 1.677 1.677 983 HD1 HIS 124 HD1 HIS 124 -4.929 0.087 0.087 984 HD2 HIS 124 HD2 HIS 124 -2.952 -0.820 -0.820 985 HE1 HIS 124 HE1 HIS 124 -3.698 -2.058 -2.058 986 HE2 HIS 124 HE2 HIS 124 -2.648 -2.667 -2.667 987 H GLY 125 H GLY 125 -2.779 4.750 4.750 988 1HA GLY 125 2HA GLY 125 -4.293 5.607 5.607 989 2HA GLY 125 1HA GLY 125 -3.475 6.671 6.671 990 H PHE 126 HN PHE 126 -6.387 6.008 6.008 991 HA PHE 126 HA PHE 126 -8.272 5.934 5.934 992 1HB PHE 126 2HB PHE 126 -9.799 6.517 6.517 993 2HB PHE 126 1HB PHE 126 -8.435 6.139 6.139 994 HD1 PHE 126 HD1 PHE 126 -6.765 8.368 8.368 995 HD2 PHE 126 HD2 PHE 126 -10.998 8.316 8.316 996 HE1 PHE 126 HE1 PHE 126 -6.891 10.629 10.629 997 HE2 PHE 126 HE2 PHE 126 -11.131 10.576 10.576 998 HZ PHE 126 HZ PHE 126 -9.076 11.737 11.737 Start of MODEL 28 1 1H MET 1 3H MET 1 -17.784 -17.947 -17.947 2 2H MET 1 2H MET 1 -16.847 -17.199 -17.199 3 3H MET 1 1H MET 1 -17.653 -18.681 -18.681 4 HA MET 1 HA MET 1 -16.251 -19.884 -19.884 5 1HB MET 1 2HB MET 1 -15.102 -17.912 -17.912 6 2HB MET 1 1HB MET 1 -13.937 -18.656 -18.656 7 1HG MET 1 2HG MET 1 -13.916 -20.511 -20.511 8 2HG MET 1 1HG MET 1 -15.667 -20.663 -20.663 9 1HE MET 1 3HE MET 1 -16.906 -21.032 -21.032 10 2HE MET 1 2HE MET 1 -17.361 -19.329 -19.329 11 3HE MET 1 1HE MET 1 -16.895 -20.060 -20.060 12 H ARG 2 H ARG 2 -15.196 -20.127 -20.127 13 HA ARG 2 HA ARG 2 -15.033 -17.824 -17.824 14 1HB ARG 2 2HB ARG 2 -14.425 -19.513 -19.513 15 2HB ARG 2 1HB ARG 2 -15.962 -19.835 -19.835 16 1HG ARG 2 2HG ARG 2 -15.275 -21.857 -21.857 17 2HG ARG 2 1HG ARG 2 -13.907 -21.170 -21.170 18 1HD ARG 2 2HD ARG 2 -13.211 -22.775 -22.775 19 2HD ARG 2 1HD ARG 2 -12.572 -21.155 -21.155 20 HE ARG 2 HE ARG 2 -13.742 -21.083 -21.083 21 1HH1 ARG 2 2HH1 ARG 2 -15.107 -23.590 -23.590 22 2HH1 ARG 2 1HH1 ARG 2 -16.180 -24.165 -24.165 23 1HH2 ARG 2 1HH2 ARG 2 -15.153 -21.838 -21.838 24 2HH2 ARG 2 2HH2 ARG 2 -16.207 -23.170 -23.170 25 H GLY 3 H GLY 3 -13.142 -17.186 -17.186 26 1HA GLY 3 2HA GLY 3 -10.879 -16.853 -16.853 27 2HA GLY 3 1HA GLY 3 -10.582 -18.312 -18.312 28 H SER 4 H SER 4 -12.403 -15.515 -15.515 29 HA SER 4 HA SER 4 -10.169 -14.584 -14.584 30 1HB SER 4 2HB SER 4 -11.717 -16.455 -16.455 31 2HB SER 4 1HB SER 4 -12.657 -15.017 -15.017 32 HG SER 4 HG SER 4 -10.727 -15.824 -15.824 33 H HIS 5 H HIS 5 -13.647 -14.273 -14.273 34 HA HIS 5 HA HIS 5 -14.976 -12.462 -12.462 35 1HB HIS 5 2HB HIS 5 -12.442 -10.891 -10.891 36 2HB HIS 5 1HB HIS 5 -14.049 -10.551 -10.551 37 HD1 HIS 5 HD1 HIS 5 -14.462 -13.660 -13.660 38 HD2 HIS 5 HD2 HIS 5 -11.373 -11.111 -11.111 39 HE1 HIS 5 HE1 HIS 5 -13.548 -14.603 -14.603 40 HE2 HIS 5 HE2 HIS 5 -11.620 -13.095 -13.095 41 H HIS 6 H HIS 6 -15.628 -10.366 -10.366 42 HA HIS 6 HA HIS 6 -14.472 -9.962 -9.962 43 1HB HIS 6 2HB HIS 6 -17.295 -9.896 -9.896 44 2HB HIS 6 1HB HIS 6 -16.850 -8.930 -8.930 45 HD1 HIS 6 HD1 HIS 6 -14.862 -11.072 -11.072 46 HD2 HIS 6 HD2 HIS 6 -18.762 -11.783 -11.783 47 HE1 HIS 6 HE1 HIS 6 -15.610 -13.114 -13.114 48 HE2 HIS 6 HE2 HIS 6 -17.993 -13.492 -13.492 49 H HIS 7 H HIS 7 -14.574 -8.582 -8.582 50 HA HIS 7 HA HIS 7 -14.860 -5.834 -5.834 51 1HB HIS 7 2HB HIS 7 -14.938 -7.196 -7.196 52 2HB HIS 7 1HB HIS 7 -14.214 -5.592 -5.592 53 HD1 HIS 7 HD1 HIS 7 -17.466 -7.358 -7.358 54 HD2 HIS 7 HD2 HIS 7 -15.987 -3.479 -3.479 55 HE1 HIS 7 HE1 HIS 7 -19.492 -5.869 -5.869 56 HE2 HIS 7 HE2 HIS 7 -18.572 -3.523 -3.523 57 H HIS 8 H HIS 8 -12.507 -7.802 -7.802 58 HA HIS 8 HA HIS 8 -10.241 -7.711 -7.711 59 1HB HIS 8 2HB HIS 8 -10.548 -4.719 -4.719 60 2HB HIS 8 1HB HIS 8 -9.301 -5.612 -5.612 61 HD1 HIS 8 HD1 HIS 8 -11.024 -7.507 -7.507 62 HD2 HIS 8 HD2 HIS 8 -11.855 -3.468 -3.468 63 HE1 HIS 8 HE1 HIS 8 -12.444 -6.860 -6.860 64 HE2 HIS 8 HE2 HIS 8 -12.871 -4.393 -4.393 65 H HIS 9 H HIS 9 -8.254 -6.208 -6.208 66 HA HIS 9 HA HIS 9 -8.689 -6.021 -6.021 67 1HB HIS 9 2HB HIS 9 -7.156 -8.094 -8.094 68 2HB HIS 9 1HB HIS 9 -6.169 -7.193 -7.193 69 HD1 HIS 9 HD1 HIS 9 -8.399 -9.990 -9.990 70 HD2 HIS 9 HD2 HIS 9 -7.518 -7.091 -7.091 71 HE1 HIS 9 HE1 HIS 9 -9.225 -10.920 -10.920 72 HE2 HIS 9 HE2 HIS 9 -8.604 -9.185 -9.185 73 H HIS 10 H HIS 10 -6.050 -5.834 -5.834 74 HA HIS 10 HA HIS 10 -5.075 -3.416 -3.416 75 1HB HIS 10 2HB HIS 10 -3.858 -5.286 -5.286 76 2HB HIS 10 1HB HIS 10 -3.126 -3.735 -3.735 77 HD1 HIS 10 HD1 HIS 10 -2.449 -6.995 -6.995 78 HD2 HIS 10 HD2 HIS 10 -3.205 -3.760 -3.760 79 HE1 HIS 10 HE1 HIS 10 -1.429 -7.603 -7.603 80 HE2 HIS 10 HE2 HIS 10 -1.973 -5.666 -5.666 81 H THR 11 H THR 11 -6.290 -1.726 -1.726 82 HA THR 11 HA THR 11 -7.300 -1.417 -1.417 83 HB THR 11 HB THR 11 -7.433 1.083 1.083 84 HG1 THR 11 HG1 THR 11 -6.415 1.244 1.244 85 1HG2 THR 11 1HG2 THR 11 -9.001 -1.165 -1.165 86 2HG2 THR 11 3HG2 THR 11 -9.414 0.543 0.543 87 3HG2 THR 11 2HG2 THR 11 -9.417 -0.229 -0.229 88 H ASP 12 H ASP 12 -4.372 -0.287 -0.287 89 HA ASP 12 HA ASP 12 -3.512 0.973 0.973 90 1HB ASP 12 2HB ASP 12 -2.925 1.481 1.481 91 2HB ASP 12 1HB ASP 12 -1.619 1.767 1.767 92 HA PRO 13 HA PRO 13 -0.936 -2.707 -2.707 93 1HB PRO 13 2HB PRO 13 0.136 -2.041 -2.041 94 2HB PRO 13 1HB PRO 13 -1.479 -2.734 -2.734 95 1HG PRO 13 2HG PRO 13 -0.675 0.127 0.127 96 2HG PRO 13 1HG PRO 13 -1.999 -0.768 -0.768 97 1HD PRO 13 2HD PRO 13 -2.404 0.901 0.901 98 2HD PRO 13 1HD PRO 13 -3.372 -0.567 -0.567 99 H MET 14 H MET 14 0.050 0.633 0.633 100 HA MET 14 HA MET 14 2.807 0.387 0.387 101 1HB MET 14 2HB MET 14 1.186 2.381 2.381 102 2HB MET 14 1HB MET 14 2.907 2.543 2.543 103 1HG MET 14 2HG MET 14 1.018 2.187 2.187 104 2HG MET 14 1HG MET 14 1.157 3.761 3.761 105 1HE MET 14 3HE MET 14 1.680 2.662 2.662 106 2HE MET 14 2HE MET 14 3.349 2.827 2.827 107 3HE MET 14 1HE MET 14 2.836 1.363 1.363 108 H SER 15 H SER 15 0.743 -0.432 -0.432 109 HA SER 15 HA SER 15 2.505 -0.263 -0.263 110 1HB SER 15 2HB SER 15 0.517 -2.506 -2.506 111 2HB SER 15 1HB SER 15 0.992 -1.609 -1.609 112 HG SER 15 HG SER 15 -0.379 -0.068 -0.068 113 H ALA 16 H ALA 16 1.927 -2.955 -2.955 114 HA ALA 16 HA ALA 16 4.549 -4.043 -4.043 115 1HB ALA 16 2HB ALA 16 2.862 -5.376 -5.376 116 2HB ALA 16 1HB ALA 16 2.034 -5.657 -5.657 117 3HB ALA 16 3HB ALA 16 3.645 -6.321 -6.321 118 H ILE 17 H ILE 17 5.567 -3.324 -3.324 119 HA ILE 17 HA ILE 17 4.463 -4.156 -4.156 120 HB ILE 17 HB ILE 17 6.802 -2.318 -2.318 121 1HG1 ILE 17 2HG1 ILE 17 4.204 -1.247 -1.247 122 2HG1 ILE 17 1HG1 ILE 17 4.284 -1.713 -1.713 123 1HG2 ILE 17 2HG2 ILE 17 6.790 -3.361 -3.361 124 2HG2 ILE 17 1HG2 ILE 17 5.132 -2.816 -2.816 125 3HG2 ILE 17 3HG2 ILE 17 6.436 -1.638 -1.638 126 1HD1 ILE 17 2HD1 ILE 17 6.367 0.063 0.063 127 2HD1 ILE 17 1HD1 ILE 17 4.823 0.709 0.709 128 3HD1 ILE 17 3HD1 ILE 17 5.891 -0.117 -0.117 129 H GLN 18 H GLN 18 5.052 -6.395 -6.395 130 HA GLN 18 HA GLN 18 6.359 -8.224 -8.224 131 1HB GLN 18 2HB GLN 18 8.368 -6.357 -6.357 132 2HB GLN 18 1HB GLN 18 8.167 -8.076 -8.076 133 1HG GLN 18 2HG GLN 18 5.731 -7.234 -7.234 134 2HG GLN 18 1HG GLN 18 6.652 -5.773 -5.773 135 1HE2 GLN 18 2HE2 GLN 18 8.442 -7.163 -7.163 136 2HE2 GLN 18 1HE2 GLN 18 8.461 -5.959 -5.959 137 H ASN 19 H ASN 19 6.529 -7.038 -7.038 138 HA ASN 19 HA ASN 19 9.242 -7.819 -7.819 139 1HB ASN 19 2HB ASN 19 9.181 -5.328 -5.328 140 2HB ASN 19 1HB ASN 19 7.919 -5.306 -5.306 141 1HD2 ASN 19 2HD2 ASN 19 10.133 -5.384 -5.384 142 2HD2 ASN 19 1HD2 ASN 19 8.542 -5.090 -5.090 143 H LEU 20 H LEU 20 8.572 -9.674 -9.674 144 HA LEU 20 HA LEU 20 7.391 -9.412 -9.412 145 1HB LEU 20 2HB LEU 20 5.752 -10.221 -10.221 146 2HB LEU 20 1HB LEU 20 5.716 -11.376 -11.376 147 HG LEU 20 HG LEU 20 5.130 -8.442 -8.442 148 1HD1 LEU 20 3HD1 LEU 20 3.551 -9.616 -9.616 149 2HD1 LEU 20 2HD1 LEU 20 3.101 -10.650 -10.650 150 3HD1 LEU 20 1HD1 LEU 20 2.817 -8.912 -8.912 151 1HD2 LEU 20 1HD2 LEU 20 4.697 -10.877 -10.877 152 2HD2 LEU 20 3HD2 LEU 20 5.788 -9.526 -9.526 153 3HD2 LEU 20 2HD2 LEU 20 4.043 -9.277 -9.277 154 H HIS 21 H HIS 21 9.838 -10.402 -10.402 155 HA HIS 21 HA HIS 21 9.809 -13.262 -13.262 156 1HB HIS 21 2HB HIS 21 11.439 -11.724 -11.724 157 2HB HIS 21 1HB HIS 21 12.283 -11.568 -11.568 158 HD1 HIS 21 HD1 HIS 21 12.249 -14.416 -14.416 159 HD2 HIS 21 HD2 HIS 21 12.996 -13.434 -13.434 160 HE1 HIS 21 HE1 HIS 21 13.529 -16.364 -16.364 161 HE2 HIS 21 HE2 HIS 21 13.892 -15.785 -15.785 162 H SER 22 H SER 22 10.452 -10.682 -10.682 163 HA SER 22 HA SER 22 11.434 -12.554 -12.554 164 1HB SER 22 2HB SER 22 11.358 -9.576 -9.576 165 2HB SER 22 1HB SER 22 11.455 -10.281 -10.281 166 HG SER 22 HG SER 22 13.330 -10.240 -10.240 167 H PHE 23 H PHE 23 9.040 -13.409 -13.409 168 HA PHE 23 HA PHE 23 7.631 -12.888 -12.888 169 1HB PHE 23 2HB PHE 23 6.961 -11.012 -11.012 170 2HB PHE 23 1HB PHE 23 6.013 -12.279 -12.279 171 HD1 PHE 23 HD2 PHE 23 6.655 -11.459 -11.459 172 HD2 PHE 23 HD1 PHE 23 3.792 -11.932 -11.932 173 HE1 PHE 23 HE2 PHE 23 4.839 -11.079 -11.079 174 HE2 PHE 23 HE1 PHE 23 1.971 -11.553 -11.553 175 HZ PHE 23 HZ PHE 23 2.494 -11.125 -11.125 176 H ASP 24 H ASP 24 7.344 -14.955 -14.955 177 HA ASP 24 HA ASP 24 6.671 -17.126 -17.126 178 1HB ASP 24 2HB ASP 24 4.766 -15.769 -15.769 179 2HB ASP 24 1HB ASP 24 4.772 -17.530 -17.530 180 HA PRO 25 HA PRO 25 9.504 -17.816 -17.816 181 1HB PRO 25 2HB PRO 25 10.913 -19.437 -19.437 182 2HB PRO 25 1HB PRO 25 11.559 -18.246 -18.246 183 1HG PRO 25 2HG PRO 25 11.360 -17.706 -17.706 184 2HG PRO 25 1HG PRO 25 11.058 -16.460 -16.460 185 1HD PRO 25 2HD PRO 25 9.099 -18.053 -18.053 186 2HD PRO 25 1HD PRO 25 9.060 -16.333 -16.333 187 H PHE 26 H PHE 26 7.971 -19.843 -19.843 188 HA PHE 26 HA PHE 26 8.139 -22.170 -22.170 189 1HB PHE 26 2HB PHE 26 6.764 -22.565 -22.565 190 2HB PHE 26 1HB PHE 26 8.096 -23.468 -23.468 191 HD1 PHE 26 HD1 PHE 26 10.378 -22.001 -22.001 192 HD2 PHE 26 HD2 PHE 26 7.181 -21.594 -21.594 193 HE1 PHE 26 HE1 PHE 26 11.924 -20.992 -20.992 194 HE2 PHE 26 HE2 PHE 26 8.721 -20.583 -20.583 195 HZ PHE 26 HZ PHE 26 11.096 -20.280 -20.280 196 H ALA 27 H ALA 27 6.495 -20.046 -20.046 197 HA ALA 27 HA ALA 27 3.854 -21.332 -21.332 198 1HB ALA 27 2HB ALA 27 3.939 -19.279 -19.279 199 2HB ALA 27 1HB ALA 27 4.290 -18.350 -18.350 200 3HB ALA 27 3HB ALA 27 2.753 -19.201 -19.201 201 H ASP 28 H ASP 28 4.365 -22.357 -22.357 202 HA ASP 28 HA ASP 28 3.377 -21.074 -21.074 203 1HB ASP 28 2HB ASP 28 6.210 -20.610 -20.610 204 2HB ASP 28 1HB ASP 28 5.928 -21.386 -21.386 205 H ALA 29 H ALA 29 2.309 -23.106 -23.106 206 HA ALA 29 HA ALA 29 3.540 -25.075 -25.075 207 1HB ALA 29 3HB ALA 29 3.128 -25.709 -25.709 208 2HB ALA 29 2HB ALA 29 3.285 -26.947 -26.947 209 3HB ALA 29 1HB ALA 29 4.615 -25.830 -25.830 210 H SER 30 H SER 30 2.001 -26.007 -26.007 211 HA SER 30 HA SER 30 -0.721 -25.350 -25.350 212 1HB SER 30 2HB SER 30 0.635 -27.431 -27.431 213 2HB SER 30 1HB SER 30 -1.086 -27.060 -27.060 214 HG SER 30 HG SER 30 -0.600 -25.011 -25.011 215 H LYS 31 H LYS 31 -2.445 -26.478 -26.478 216 HA LYS 31 HA LYS 31 -3.589 -27.938 -27.938 217 1HB LYS 31 2HB LYS 31 -1.557 -30.039 -30.039 218 2HB LYS 31 1HB LYS 31 -3.262 -30.251 -30.251 219 1HG LYS 31 2HG LYS 31 -2.125 -28.956 -28.956 220 2HG LYS 31 1HG LYS 31 -2.855 -30.560 -30.560 221 1HD LYS 31 2HD LYS 31 -4.515 -28.345 -28.345 222 2HD LYS 31 1HD LYS 31 -4.194 -28.326 -28.326 223 1HE LYS 31 2HE LYS 31 -5.909 -29.745 -29.745 224 2HE LYS 31 1HE LYS 31 -4.807 -30.960 -30.960 225 1HZ LYS 31 3HZ LYS 31 -5.594 -30.331 -30.331 226 2HZ LYS 31 2HZ LYS 31 -6.745 -29.316 -29.316 227 3HZ LYS 31 1HZ LYS 31 -6.812 -30.984 -30.984 228 H GLY 32 H GLY 32 -1.493 -26.363 -26.363 229 1HA GLY 32 2HA GLY 32 -0.627 -28.168 -28.168 230 2HA GLY 32 1HA GLY 32 0.267 -26.741 -26.741 231 H ASP 33 H ASP 33 -1.872 -27.961 -27.961 232 HA ASP 33 HA ASP 33 -3.465 -25.668 -25.668 233 1HB ASP 33 2HB ASP 33 -3.819 -28.131 -28.131 234 2HB ASP 33 1HB ASP 33 -2.762 -27.711 -27.711 235 H ASP 34 H ASP 34 -1.863 -23.983 -23.983 236 HA ASP 34 HA ASP 34 -0.048 -23.903 -23.903 237 1HB ASP 34 2HB ASP 34 0.442 -23.264 -23.264 238 2HB ASP 34 1HB ASP 34 -0.040 -21.686 -21.686 239 H LEU 35 H LEU 35 -2.912 -23.577 -23.577 240 HA LEU 35 HA LEU 35 -3.386 -20.764 -20.764 241 1HB LEU 35 2HB LEU 35 -4.988 -23.020 -23.020 242 2HB LEU 35 1HB LEU 35 -5.274 -22.545 -22.545 243 HG LEU 35 HG LEU 35 -5.887 -20.282 -20.282 244 1HD1 LEU 35 1HD1 LEU 35 -5.102 -21.416 -21.416 245 2HD1 LEU 35 3HD1 LEU 35 -6.397 -20.222 -20.222 246 3HD1 LEU 35 2HD1 LEU 35 -4.793 -19.819 -19.819 247 1HD2 LEU 35 1HD2 LEU 35 -7.521 -22.231 -22.231 248 2HD2 LEU 35 3HD2 LEU 35 -8.040 -20.833 -20.833 249 3HD2 LEU 35 2HD2 LEU 35 -7.477 -22.288 -22.288 250 H LEU 36 H LEU 36 -1.842 -20.141 -20.141 251 HA LEU 36 HA LEU 36 -1.598 -21.512 -21.512 252 1HB LEU 36 2HB LEU 36 -0.461 -18.941 -18.941 253 2HB LEU 36 1HB LEU 36 -0.184 -19.468 -19.468 254 HG LEU 36 HG LEU 36 0.462 -21.416 -21.416 255 1HD1 LEU 36 1HD1 LEU 36 1.779 -18.773 -18.773 256 2HD1 LEU 36 3HD1 LEU 36 2.803 -20.184 -20.184 257 3HD1 LEU 36 2HD1 LEU 36 1.550 -19.771 -19.771 258 1HD2 LEU 36 1HD2 LEU 36 1.632 -20.593 -20.593 259 2HD2 LEU 36 3HD2 LEU 36 0.858 -22.119 -22.119 260 3HD2 LEU 36 2HD2 LEU 36 2.441 -21.716 -21.716 261 HA PRO 37 HA PRO 37 -4.847 -19.640 -19.640 262 1HB PRO 37 2HB PRO 37 -2.794 -19.283 -19.283 263 2HB PRO 37 1HB PRO 37 -4.382 -20.053 -20.053 264 1HG PRO 37 2HG PRO 37 -2.169 -21.526 -21.526 265 2HG PRO 37 1HG PRO 37 -3.621 -22.032 -22.032 266 1HD PRO 37 2HD PRO 37 -1.099 -20.809 -20.809 267 2HD PRO 37 1HD PRO 37 -2.136 -22.050 -22.050 268 H ALA 38 H ALA 38 -4.957 -17.718 -17.718 269 HA ALA 38 HA ALA 38 -4.975 -15.463 -15.463 270 1HB ALA 38 2HB ALA 38 -5.393 -15.766 -15.766 271 2HB ALA 38 1HB ALA 38 -3.864 -14.890 -14.890 272 3HB ALA 38 3HB ALA 38 -5.249 -14.182 -14.182 273 H GLY 39 H GLY 39 -3.559 -14.510 -14.510 274 1HA GLY 39 2HA GLY 39 -0.700 -14.832 -14.832 275 2HA GLY 39 1HA GLY 39 -1.429 -14.260 -14.260 276 H THR 40 H THR 40 -0.659 -13.359 -13.359 277 HA THR 40 HA THR 40 -0.194 -10.626 -10.626 278 HB THR 40 HB THR 40 -1.432 -9.795 -9.795 279 HG1 THR 40 HG1 THR 40 -1.837 -11.650 -11.650 280 1HG2 THR 40 2HG2 THR 40 -2.289 -9.672 -9.672 281 2HG2 THR 40 1HG2 THR 40 -3.298 -11.056 -11.056 282 3HG2 THR 40 3HG2 THR 40 -3.470 -9.536 -9.536 283 H GLU 41 H GLU 41 1.258 -13.078 -13.078 284 HA GLU 41 HA GLU 41 2.903 -13.556 -13.556 285 1HB GLU 41 2HB GLU 41 3.396 -10.991 -10.991 286 2HB GLU 41 1HB GLU 41 4.063 -11.033 -11.033 287 1HG GLU 41 2HG GLU 41 5.392 -12.947 -12.947 288 2HG GLU 41 1HG GLU 41 4.603 -13.125 -13.125 289 H ASP 42 H ASP 42 0.297 -12.697 -12.697 290 HA ASP 42 HA ASP 42 -0.648 -12.044 -12.044 291 1HB ASP 42 2HB ASP 42 0.601 -14.226 -14.226 292 2HB ASP 42 1HB ASP 42 1.828 -13.232 -13.232 293 H TYR 43 H TYR 43 0.109 -9.788 -9.788 294 HA TYR 43 HA TYR 43 2.221 -8.469 -8.469 295 1HB TYR 43 2HB TYR 43 -0.254 -7.238 -7.238 296 2HB TYR 43 1HB TYR 43 1.260 -6.415 -6.415 297 HD1 TYR 43 HD2 TYR 43 3.076 -8.700 -8.700 298 HD2 TYR 43 HD1 TYR 43 -0.328 -6.754 -6.754 299 HE1 TYR 43 HE2 TYR 43 3.887 -9.214 -9.214 300 HE2 TYR 43 HE1 TYR 43 0.474 -7.273 -7.273 301 HH TYR 43 HH TYR 43 2.429 -9.462 -9.462 302 H ILE 44 H ILE 44 1.653 -6.367 -6.367 303 HA ILE 44 HA ILE 44 -0.198 -7.143 -7.143 304 HB ILE 44 HB ILE 44 2.278 -5.419 -5.419 305 1HG1 ILE 44 2HG1 ILE 44 2.975 -7.676 -7.676 306 2HG1 ILE 44 1HG1 ILE 44 2.974 -7.256 -7.256 307 1HG2 ILE 44 2HG2 ILE 44 0.536 -4.584 -4.584 308 2HG2 ILE 44 1HG2 ILE 44 0.333 -6.197 -6.197 309 3HG2 ILE 44 3HG2 ILE 44 1.846 -5.321 -5.321 310 1HD1 ILE 44 2HD1 ILE 44 0.555 -8.257 -8.257 311 2HD1 ILE 44 1HD1 ILE 44 1.183 -9.085 -9.085 312 3HD1 ILE 44 3HD1 ILE 44 1.969 -9.300 -9.300 313 H HIS 45 H HIS 45 -2.036 -6.161 -6.161 314 HA HIS 45 HA HIS 45 -2.254 -3.678 -3.678 315 1HB HIS 45 2HB HIS 45 -4.022 -5.667 -5.667 316 2HB HIS 45 1HB HIS 45 -4.582 -4.094 -4.094 317 HD1 HIS 45 HD1 HIS 45 -3.484 -5.671 -5.671 318 HD2 HIS 45 HD2 HIS 45 -6.157 -2.855 -2.855 319 HE1 HIS 45 HE1 HIS 45 -4.817 -4.904 -4.904 320 HE2 HIS 45 HE2 HIS 45 -6.377 -3.143 -3.143 321 H ILE 46 H ILE 46 -2.492 -1.641 -1.641 322 HA ILE 46 HA ILE 46 -2.665 -1.002 -1.002 323 HB ILE 46 HB ILE 46 -0.434 -0.146 -0.146 324 1HG1 ILE 46 2HG1 ILE 46 -0.767 -1.978 -1.978 325 2HG1 ILE 46 1HG1 ILE 46 0.682 -1.656 -1.656 326 1HG2 ILE 46 1HG2 ILE 46 -1.407 1.216 1.216 327 2HG2 ILE 46 3HG2 ILE 46 0.197 1.472 1.472 328 3HG2 ILE 46 2HG2 ILE 46 -1.241 1.913 1.913 329 1HD1 ILE 46 1HD1 ILE 46 -0.114 0.015 0.015 330 2HD1 ILE 46 3HD1 ILE 46 0.868 -1.440 -1.440 331 3HD1 ILE 46 2HD1 ILE 46 1.456 -0.075 -0.075 332 H ARG 47 H ARG 47 -4.514 0.094 0.094 333 HA ARG 47 HA ARG 47 -4.799 2.271 2.271 334 1HB ARG 47 2HB ARG 47 -6.266 0.262 0.262 335 2HB ARG 47 1HB ARG 47 -7.099 0.639 0.639 336 1HG ARG 47 2HG ARG 47 -7.469 2.963 2.963 337 2HG ARG 47 1HG ARG 47 -7.028 2.204 2.204 338 1HD ARG 47 2HD ARG 47 -8.992 0.699 0.699 339 2HD ARG 47 1HD ARG 47 -9.548 2.291 2.291 340 HE ARG 47 HE ARG 47 -9.118 -0.002 -0.002 341 1HH1 ARG 47 2HH1 ARG 47 -9.146 3.487 3.487 342 2HH1 ARG 47 1HH1 ARG 47 -9.481 3.634 3.634 343 1HH2 ARG 47 1HH2 ARG 47 -9.559 0.189 0.189 344 2HH2 ARG 47 2HH2 ARG 47 -9.717 1.762 1.762 345 H ILE 48 H ILE 48 -5.900 4.123 4.123 346 HA ILE 48 HA ILE 48 -5.980 4.551 4.551 347 HB ILE 48 HB ILE 48 -5.653 6.446 6.446 348 1HG1 ILE 48 2HG1 ILE 48 -4.002 6.002 6.002 349 2HG1 ILE 48 1HG1 ILE 48 -3.637 5.335 5.335 350 1HG2 ILE 48 3HG2 ILE 48 -6.274 7.162 7.162 351 2HG2 ILE 48 2HG2 ILE 48 -5.663 8.295 8.295 352 3HG2 ILE 48 1HG2 ILE 48 -7.238 7.534 7.534 353 1HD1 ILE 48 3HD1 ILE 48 -3.920 8.284 8.284 354 2HD1 ILE 48 2HD1 ILE 48 -2.399 7.439 7.439 355 3HD1 ILE 48 1HD1 ILE 48 -3.113 7.427 7.427 356 H GLN 49 H GLN 49 -7.726 5.848 5.848 357 HA GLN 49 HA GLN 49 -10.149 6.005 6.005 358 1HB GLN 49 2HB GLN 49 -11.488 5.041 5.041 359 2HB GLN 49 1HB GLN 49 -10.420 3.886 3.886 360 1HG GLN 49 2HG GLN 49 -8.898 4.928 4.928 361 2HG GLN 49 1HG GLN 49 -10.512 4.750 4.750 362 1HE2 GLN 49 2HE2 GLN 49 -9.995 1.400 1.400 363 2HE2 GLN 49 1HE2 GLN 49 -10.637 2.928 2.928 364 H GLN 50 H GLN 50 -10.060 8.219 8.219 365 HA GLN 50 HA GLN 50 -9.881 9.621 9.621 366 1HB GLN 50 2HB GLN 50 -8.951 10.205 10.205 367 2HB GLN 50 1HB GLN 50 -10.373 11.232 11.232 368 1HG GLN 50 2HG GLN 50 -9.503 12.239 12.239 369 2HG GLN 50 1HG GLN 50 -8.119 11.153 11.153 370 1HE2 GLN 50 2HE2 GLN 50 -6.360 13.688 13.688 371 2HE2 GLN 50 1HE2 GLN 50 -6.556 12.670 12.670 372 H ARG 51 H ARG 51 -11.683 9.842 9.842 373 HA ARG 51 HA ARG 51 -14.266 9.968 9.968 374 1HB ARG 51 2HB ARG 51 -13.685 9.992 9.992 375 2HB ARG 51 1HB ARG 51 -15.236 9.693 9.693 376 1HG ARG 51 2HG ARG 51 -14.653 7.567 7.567 377 2HG ARG 51 1HG ARG 51 -12.923 7.914 7.914 378 1HD ARG 51 2HD ARG 51 -12.927 6.854 6.854 379 2HD ARG 51 1HD ARG 51 -13.689 8.309 8.309 380 HE ARG 51 HE ARG 51 -15.610 6.514 6.514 381 1HH1 ARG 51 2HH1 ARG 51 -13.599 7.079 7.079 382 2HH1 ARG 51 1HH1 ARG 51 -14.648 6.225 6.225 383 1HH2 ARG 51 1HH2 ARG 51 -16.990 5.392 5.392 384 2HH2 ARG 51 2HH2 ARG 51 -16.573 5.267 5.267 385 H ASN 52 H ASN 52 -15.326 11.806 11.806 386 HA ASN 52 HA ASN 52 -15.931 13.999 13.999 387 1HB ASN 52 2HB ASN 52 -14.587 14.230 14.230 388 2HB ASN 52 1HB ASN 52 -15.919 15.193 15.193 389 1HD2 ASN 52 2HD2 ASN 52 -17.015 12.493 12.493 390 2HD2 ASN 52 1HD2 ASN 52 -15.702 13.616 13.616 391 H GLY 53 H GLY 53 -13.205 13.035 13.035 392 1HA GLY 53 2HA GLY 53 -11.322 13.962 13.962 393 2HA GLY 53 1HA GLY 53 -12.159 15.505 15.505 394 H ARG 54 H ARG 54 -11.022 13.285 13.285 395 HA ARG 54 HA ARG 54 -8.830 14.903 14.903 396 1HB ARG 54 2HB ARG 54 -9.647 15.882 15.882 397 2HB ARG 54 1HB ARG 54 -10.705 16.375 16.375 398 1HG ARG 54 2HG ARG 54 -12.337 14.686 14.686 399 2HG ARG 54 1HG ARG 54 -11.274 14.190 14.190 400 1HD ARG 54 2HD ARG 54 -11.775 17.054 17.054 401 2HD ARG 54 1HD ARG 54 -13.257 16.110 16.110 402 HE ARG 54 HE ARG 54 -11.586 14.969 14.969 403 1HH1 ARG 54 2HH1 ARG 54 -12.689 18.232 18.232 404 2HH1 ARG 54 1HH1 ARG 54 -12.582 18.690 18.690 405 1HH2 ARG 54 1HH2 ARG 54 -11.444 15.570 15.570 406 2HH2 ARG 54 2HH2 ARG 54 -11.874 17.179 17.179 407 H LYS 55 H LYS 55 -11.300 12.652 12.652 408 HA LYS 55 HA LYS 55 -9.574 11.440 11.440 409 1HB LYS 55 2HB LYS 55 -12.321 11.305 11.305 410 2HB LYS 55 1HB LYS 55 -11.688 9.667 9.667 411 1HG LYS 55 2HG LYS 55 -12.610 10.208 10.208 412 2HG LYS 55 1HG LYS 55 -10.891 9.814 9.814 413 1HD LYS 55 2HD LYS 55 -11.337 12.650 12.650 414 2HD LYS 55 1HD LYS 55 -12.122 12.068 12.068 415 1HE LYS 55 2HE LYS 55 -9.826 10.885 10.885 416 2HE LYS 55 1HE LYS 55 -9.224 12.104 12.104 417 1HZ LYS 55 3HZ LYS 55 -10.921 13.080 13.080 418 2HZ LYS 55 2HZ LYS 55 -9.407 12.490 12.490 419 3HZ LYS 55 1HZ LYS 55 -9.510 13.746 13.746 420 H THR 56 H THR 56 -7.828 11.303 11.303 421 HA THR 56 HA THR 56 -8.027 9.176 9.176 422 HB THR 56 HB THR 56 -5.325 10.006 10.006 423 HG1 THR 56 HG1 THR 56 -5.730 12.034 12.034 424 1HG2 THR 56 2HG2 THR 56 -6.860 9.512 9.512 425 2HG2 THR 56 1HG2 THR 56 -5.797 10.915 10.915 426 3HG2 THR 56 3HG2 THR 56 -5.131 9.338 9.338 427 H LEU 57 H LEU 57 -7.531 7.081 7.081 428 HA LEU 57 HA LEU 57 -5.948 6.226 6.226 429 1HB LEU 57 2HB LEU 57 -8.775 5.512 5.512 430 2HB LEU 57 1HB LEU 57 -7.731 4.248 4.248 431 HG LEU 57 HG LEU 57 -7.845 6.861 6.861 432 1HD1 LEU 57 3HD1 LEU 57 -10.189 5.688 5.688 433 2HD1 LEU 57 2HD1 LEU 57 -9.757 4.792 4.792 434 3HD1 LEU 57 1HD1 LEU 57 -9.881 6.551 6.551 435 1HD2 LEU 57 2HD2 LEU 57 -6.957 4.108 4.108 436 2HD2 LEU 57 1HD2 LEU 57 -6.387 5.629 5.629 437 3HD2 LEU 57 3HD2 LEU 57 -7.831 4.851 4.851 438 H THR 58 H THR 58 -4.237 5.516 5.516 439 HA THR 58 HA THR 58 -4.499 4.065 4.065 440 HB THR 58 HB THR 58 -2.100 4.261 4.261 441 HG1 THR 58 HG1 THR 58 -3.065 6.290 6.290 442 1HG2 THR 58 1HG2 THR 58 -2.321 2.651 2.651 443 2HG2 THR 58 3HG2 THR 58 -1.733 4.136 4.136 444 3HG2 THR 58 2HG2 THR 58 -0.813 3.381 3.381 445 H THR 59 H THR 59 -5.274 2.058 2.058 446 HA THR 59 HA THR 59 -4.789 0.231 0.231 447 HB THR 59 HB THR 59 -6.460 -1.141 -1.141 448 HG1 THR 59 HG1 THR 59 -6.604 0.734 0.734 449 1HG2 THR 59 3HG2 THR 59 -6.792 0.420 0.420 450 2HG2 THR 59 2HG2 THR 59 -8.261 0.321 0.321 451 3HG2 THR 59 1HG2 THR 59 -7.451 -1.155 -1.155 452 H VAL 60 H VAL 60 -3.999 -1.869 -1.869 453 HA VAL 60 HA VAL 60 -2.582 -2.257 -2.257 454 HB VAL 60 HB VAL 60 -1.611 -3.106 -3.106 455 1HG1 VAL 60 3HG1 VAL 60 -0.937 -4.641 -4.641 456 2HG1 VAL 60 2HG1 VAL 60 -0.276 -3.284 -3.284 457 3HG1 VAL 60 1HG1 VAL 60 0.446 -3.743 -3.743 458 1HG2 VAL 60 1HG2 VAL 60 -1.210 -0.688 -0.688 459 2HG2 VAL 60 3HG2 VAL 60 -1.044 -0.931 -0.931 460 3HG2 VAL 60 2HG2 VAL 60 0.261 -1.410 -1.410 461 H GLN 61 H GLN 61 -3.077 -4.048 -4.048 462 HA GLN 61 HA GLN 61 -4.275 -6.293 -6.293 463 1HB GLN 61 2HB GLN 61 -5.042 -6.286 -6.286 464 2HB GLN 61 1HB GLN 61 -6.058 -6.318 -6.318 465 1HG GLN 61 2HG GLN 61 -6.126 -3.954 -3.954 466 2HG GLN 61 1HG GLN 61 -4.853 -3.796 -3.796 467 1HE2 GLN 61 2HE2 GLN 61 -8.356 -5.268 -5.268 468 2HE2 GLN 61 1HE2 GLN 61 -7.612 -5.977 -5.977 469 H GLY 62 H GLY 62 -3.665 -8.363 -8.363 470 1HA GLY 62 2HA GLY 62 -2.585 -9.883 -9.883 471 2HA GLY 62 1HA GLY 62 -1.551 -8.552 -8.552 472 H ILE 63 H ILE 63 -1.233 -7.716 -7.716 473 HA ILE 63 HA ILE 63 1.149 -9.140 -9.140 474 HB ILE 63 HB ILE 63 -0.450 -7.172 -7.172 475 1HG1 ILE 63 2HG1 ILE 63 0.585 -5.898 -5.898 476 2HG1 ILE 63 1HG1 ILE 63 1.871 -5.939 -5.939 477 1HG2 ILE 63 3HG2 ILE 63 1.750 -8.893 -8.893 478 2HG2 ILE 63 2HG2 ILE 63 1.978 -7.180 -7.180 479 3HG2 ILE 63 1HG2 ILE 63 0.548 -8.020 -8.020 480 1HD1 ILE 63 2HD1 ILE 63 2.751 -7.957 -7.957 481 2HD1 ILE 63 1HD1 ILE 63 1.662 -7.426 -7.426 482 3HD1 ILE 63 3HD1 ILE 63 2.942 -6.355 -6.355 483 H ALA 64 H ALA 64 1.652 -10.601 -10.601 484 HA ALA 64 HA ALA 64 -0.481 -12.386 -12.386 485 1HB ALA 64 3HB ALA 64 1.921 -13.003 -13.003 486 2HB ALA 64 2HB ALA 64 2.341 -12.629 -12.629 487 3HB ALA 64 1HB ALA 64 1.171 -13.900 -13.900 488 H ASP 65 H ASP 65 -1.363 -12.704 -12.704 489 HA ASP 65 HA ASP 65 -1.261 -10.608 -10.608 490 1HB ASP 65 2HB ASP 65 -3.236 -12.064 -12.064 491 2HB ASP 65 1HB ASP 65 -2.343 -13.411 -13.411 492 H ASP 66 H ASP 66 0.808 -13.247 -13.247 493 HA ASP 66 HA ASP 66 1.692 -13.345 -13.345 494 1HB ASP 66 2HB ASP 66 1.409 -15.354 -15.354 495 2HB ASP 66 1HB ASP 66 3.067 -14.911 -14.911 496 H TYR 67 H TYR 67 2.120 -10.950 -10.950 497 HA TYR 67 HA TYR 67 4.977 -10.932 -10.932 498 1HB TYR 67 2HB TYR 67 2.692 -9.088 -9.088 499 2HB TYR 67 1HB TYR 67 4.303 -8.391 -8.391 500 HD1 TYR 67 HD2 TYR 67 4.171 -11.762 -11.762 501 HD2 TYR 67 HD1 TYR 67 3.851 -7.654 -7.654 502 HE1 TYR 67 HE2 TYR 67 4.552 -12.336 -12.336 503 HE2 TYR 67 HE1 TYR 67 4.226 -8.207 -8.207 504 HH TYR 67 HH TYR 67 3.784 -10.643 -10.643 505 H ASP 68 H ASP 68 3.857 -11.208 -11.208 506 HA ASP 68 HA ASP 68 4.683 -10.649 -10.649 507 1HB ASP 68 2HB ASP 68 6.683 -9.757 -9.757 508 2HB ASP 68 1HB ASP 68 5.997 -8.176 -8.176 509 H LYS 69 H LYS 69 2.938 -8.515 -8.515 510 HA LYS 69 HA LYS 69 1.275 -7.028 -7.028 511 1HB LYS 69 2HB LYS 69 1.169 -8.856 -8.856 512 2HB LYS 69 1HB LYS 69 0.981 -7.259 -7.259 513 1HG LYS 69 2HG LYS 69 -1.029 -6.902 -6.902 514 2HG LYS 69 1HG LYS 69 -0.622 -7.847 -7.847 515 1HD LYS 69 2HD LYS 69 -1.926 -9.446 -9.446 516 2HD LYS 69 1HD LYS 69 -0.626 -9.728 -9.728 517 1HE LYS 69 2HE LYS 69 -3.038 -7.957 -7.957 518 2HE LYS 69 1HE LYS 69 -2.694 -9.470 -9.470 519 1HZ LYS 69 2HZ LYS 69 -0.660 -8.338 -8.338 520 2HZ LYS 69 1HZ LYS 69 -1.271 -6.885 -6.885 521 3HZ LYS 69 3HZ LYS 69 -2.128 -7.730 -7.730 522 H LYS 70 H LYS 70 2.919 -6.850 -6.850 523 HA LYS 70 HA LYS 70 2.837 -4.113 -4.113 524 1HB LYS 70 2HB LYS 70 4.955 -6.019 -6.019 525 2HB LYS 70 1HB LYS 70 4.732 -4.373 -4.373 526 1HG LYS 70 2HG LYS 70 2.616 -4.896 -4.896 527 2HG LYS 70 1HG LYS 70 2.587 -6.473 -6.473 528 1HD LYS 70 2HD LYS 70 4.683 -7.014 -7.014 529 2HD LYS 70 1HD LYS 70 4.342 -5.559 -5.559 530 1HE LYS 70 2HE LYS 70 3.469 -7.602 -7.602 531 2HE LYS 70 1HE LYS 70 2.197 -6.449 -6.449 532 1HZ LYS 70 1HZ LYS 70 2.831 -8.524 -8.524 533 2HZ LYS 70 3HZ LYS 70 1.976 -8.984 -8.984 534 3HZ LYS 70 2HZ LYS 70 1.347 -7.796 -7.796 535 H LYS 71 H LYS 71 5.353 -6.061 -6.061 536 HA LYS 71 HA LYS 71 7.122 -3.908 -3.908 537 1HB LYS 71 2HB LYS 71 7.402 -6.558 -6.558 538 2HB LYS 71 1HB LYS 71 7.107 -6.251 -6.251 539 1HG LYS 71 2HG LYS 71 8.955 -4.493 -4.493 540 2HG LYS 71 1HG LYS 71 9.358 -5.273 -5.273 541 1HD LYS 71 2HD LYS 71 10.748 -6.293 -6.293 542 2HD LYS 71 1HD LYS 71 9.449 -7.451 -7.451 543 1HE LYS 71 2HE LYS 71 8.871 -5.548 -5.548 544 2HE LYS 71 1HE LYS 71 10.275 -6.567 -6.567 545 1HZ LYS 71 1HZ LYS 71 7.872 -7.880 -7.880 546 2HZ LYS 71 3HZ LYS 71 7.828 -7.323 -7.323 547 3HZ LYS 71 2HZ LYS 71 9.014 -8.429 -8.429 548 H LEU 72 H LEU 72 4.097 -4.346 -4.346 549 HA LEU 72 HA LEU 72 4.815 -3.224 -3.224 550 1HB LEU 72 2HB LEU 72 2.317 -4.608 -4.608 551 2HB LEU 72 1HB LEU 72 2.432 -3.802 -3.802 552 HG LEU 72 HG LEU 72 3.555 -5.510 -5.510 553 1HD1 LEU 72 2HD1 LEU 72 5.587 -5.049 -5.049 554 2HD1 LEU 72 1HD1 LEU 72 4.965 -6.081 -6.081 555 3HD1 LEU 72 3HD1 LEU 72 5.345 -6.774 -6.774 556 1HD2 LEU 72 1HD2 LEU 72 1.832 -6.466 -6.466 557 2HD2 LEU 72 3HD2 LEU 72 2.202 -7.193 -7.193 558 3HD2 LEU 72 2HD2 LEU 72 3.199 -7.570 -7.570 559 H VAL 73 H VAL 73 1.976 -2.946 -2.946 560 HA VAL 73 HA VAL 73 1.591 -0.216 -0.216 561 HB VAL 73 HB VAL 73 -0.244 -1.905 -1.905 562 1HG1 VAL 73 1HG1 VAL 73 0.693 -2.600 -2.600 563 2HG1 VAL 73 3HG1 VAL 73 0.403 -0.979 -0.979 564 3HG1 VAL 73 2HG1 VAL 73 -0.956 -1.994 -1.994 565 1HG2 VAL 73 3HG2 VAL 73 -0.219 0.914 0.914 566 2HG2 VAL 73 2HG2 VAL 73 -0.830 0.332 0.332 567 3HG2 VAL 73 1HG2 VAL 73 -1.673 -0.082 -0.082 568 H LYS 74 H LYS 74 2.563 -1.860 -1.860 569 HA LYS 74 HA LYS 74 2.843 0.477 0.477 570 1HB LYS 74 2HB LYS 74 3.082 -2.212 -2.212 571 2HB LYS 74 1HB LYS 74 4.756 -1.682 -1.682 572 1HG LYS 74 2HG LYS 74 4.309 -1.182 -1.182 573 2HG LYS 74 1HG LYS 74 3.442 0.216 0.216 574 1HD LYS 74 2HD LYS 74 1.617 -1.863 -1.863 575 2HD LYS 74 1HD LYS 74 2.424 -2.152 -2.152 576 1HE LYS 74 2HE LYS 74 2.021 0.397 0.397 577 2HE LYS 74 1HE LYS 74 0.794 0.193 0.193 578 1HZ LYS 74 2HZ LYS 74 0.574 -1.863 -1.863 579 2HZ LYS 74 1HZ LYS 74 0.550 -0.356 -0.356 580 3HZ LYS 74 3HZ LYS 74 -0.569 -0.702 -0.702 581 H ALA 75 H ALA 75 5.093 -1.342 -1.342 582 HA ALA 75 HA ALA 75 7.374 0.243 0.243 583 1HB ALA 75 2HB ALA 75 6.642 -1.483 -1.483 584 2HB ALA 75 1HB ALA 75 8.225 -0.746 -0.746 585 3HB ALA 75 3HB ALA 75 7.626 -1.939 -1.939 586 H PHE 76 H PHE 76 4.831 0.377 0.377 587 HA PHE 76 HA PHE 76 5.800 2.339 2.339 588 1HB PHE 76 2HB PHE 76 3.540 1.072 1.072 589 2HB PHE 76 1HB PHE 76 2.923 2.416 2.416 590 HD1 PHE 76 HD2 PHE 76 4.457 1.483 1.483 591 HD2 PHE 76 HD1 PHE 76 2.475 4.528 4.528 592 HE1 PHE 76 HE2 PHE 76 4.190 2.804 2.804 593 HE2 PHE 76 HE1 PHE 76 2.209 5.853 5.853 594 HZ PHE 76 HZ PHE 76 3.070 4.990 4.990 595 H LYS 77 H LYS 77 3.988 2.835 2.835 596 HA LYS 77 HA LYS 77 4.148 5.676 5.676 597 1HB LYS 77 2HB LYS 77 3.606 3.896 3.896 598 2HB LYS 77 1HB LYS 77 3.278 5.620 5.620 599 1HG LYS 77 2HG LYS 77 1.270 5.186 5.186 600 2HG LYS 77 1HG LYS 77 2.008 4.399 4.399 601 1HD LYS 77 2HD LYS 77 0.948 2.559 2.559 602 2HD LYS 77 1HD LYS 77 2.247 2.474 2.474 603 1HE LYS 77 2HE LYS 77 0.478 4.236 4.236 604 2HE LYS 77 1HE LYS 77 -0.588 3.082 3.082 605 1HZ LYS 77 3HZ LYS 77 1.023 1.378 1.378 606 2HZ LYS 77 2HZ LYS 77 1.286 2.657 2.657 607 3HZ LYS 77 1HZ LYS 77 -0.275 2.048 2.048 608 H LYS 78 H LYS 78 6.531 3.439 3.439 609 HA LYS 78 HA LYS 78 7.994 5.189 5.189 610 1HB LYS 78 2HB LYS 78 7.654 2.436 2.436 611 2HB LYS 78 1HB LYS 78 9.269 2.649 2.649 612 1HG LYS 78 2HG LYS 78 10.102 3.528 3.528 613 2HG LYS 78 1HG LYS 78 8.534 4.150 4.150 614 1HD LYS 78 2HD LYS 78 8.181 1.398 1.398 615 2HD LYS 78 1HD LYS 78 9.802 1.602 1.602 616 1HE LYS 78 2HE LYS 78 8.582 1.715 1.715 617 2HE LYS 78 1HE LYS 78 8.582 3.420 3.420 618 1HZ LYS 78 1HZ LYS 78 6.416 1.653 1.653 619 2HZ LYS 78 3HZ LYS 78 6.375 2.284 2.284 620 3HZ LYS 78 2HZ LYS 78 6.399 3.327 3.327 621 H LYS 79 H LYS 79 7.862 4.057 4.057 622 HA LYS 79 HA LYS 79 10.603 4.785 4.785 623 1HB LYS 79 2HB LYS 79 9.057 2.874 2.874 624 2HB LYS 79 1HB LYS 79 8.631 4.169 4.169 625 1HG LYS 79 2HG LYS 79 11.460 4.127 4.127 626 2HG LYS 79 1HG LYS 79 10.900 2.486 2.486 627 1HD LYS 79 2HD LYS 79 9.627 3.349 3.349 628 2HD LYS 79 1HD LYS 79 10.297 4.952 4.952 629 1HE LYS 79 2HE LYS 79 11.959 2.498 2.498 630 2HE LYS 79 1HE LYS 79 11.479 3.659 3.659 631 1HZ LYS 79 1HZ LYS 79 12.768 4.755 4.755 632 2HZ LYS 79 3HZ LYS 79 13.752 3.829 3.829 633 3HZ LYS 79 2HZ LYS 79 12.944 5.184 5.184 634 H PHE 80 H PHE 80 7.338 5.857 5.857 635 HA PHE 80 HA PHE 80 8.539 8.361 8.361 636 1HB PHE 80 2HB PHE 80 5.711 7.604 7.604 637 2HB PHE 80 1HB PHE 80 6.831 8.583 8.583 638 HD1 PHE 80 HD2 PHE 80 6.002 5.127 5.127 639 HD2 PHE 80 HD1 PHE 80 8.175 7.623 7.623 640 HE1 PHE 80 HE2 PHE 80 6.515 3.172 3.172 641 HE2 PHE 80 HE1 PHE 80 8.690 5.672 5.672 642 HZ PHE 80 HZ PHE 80 7.860 3.444 3.444 643 H ALA 81 H ALA 81 6.589 7.042 7.042 644 HA ALA 81 HA ALA 81 5.690 8.034 8.034 645 1HB ALA 81 1HB ALA 81 7.521 9.868 9.868 646 2HB ALA 81 3HB ALA 81 6.056 10.813 10.813 647 3HB ALA 81 2HB ALA 81 6.360 10.104 10.104 648 H CYS 82 H CYS 82 4.257 7.354 7.354 649 HA CYS 82 HA CYS 82 2.163 9.383 9.383 650 1HB CYS 82 2HB CYS 82 2.928 7.008 7.008 651 2HB CYS 82 1HB CYS 82 1.298 7.661 7.661 652 HG CYS 82 HG CYS 82 2.188 9.753 9.753 653 H ASN 83 H ASN 83 -0.079 8.041 8.041 654 HA ASN 83 HA ASN 83 -0.529 6.561 6.561 655 1HB ASN 83 2HB ASN 83 -2.288 8.306 8.306 656 2HB ASN 83 1HB ASN 83 -2.999 7.127 7.127 657 1HD2 ASN 83 2HD2 ASN 83 -1.478 8.799 8.799 658 2HD2 ASN 83 1HD2 ASN 83 -1.466 7.224 7.224 659 H GLY 84 H GLY 84 -0.882 4.448 4.448 660 1HA GLY 84 2HA GLY 84 -1.906 3.372 3.372 661 2HA GLY 84 1HA GLY 84 -0.622 2.583 2.583 662 H THR 85 H THR 85 -3.044 1.373 1.373 663 HA THR 85 HA THR 85 -3.937 0.426 0.426 664 HB THR 85 HB THR 85 -6.278 0.819 0.819 665 HG1 THR 85 HG1 THR 85 -6.907 0.892 0.892 666 1HG2 THR 85 1HG2 THR 85 -5.027 2.732 2.732 667 2HG2 THR 85 3HG2 THR 85 -4.886 3.388 3.388 668 3HG2 THR 85 2HG2 THR 85 -6.475 3.205 3.205 669 H VAL 86 H VAL 86 -4.958 -1.613 -1.613 670 HA VAL 86 HA VAL 86 -4.677 -2.981 -2.981 671 HB VAL 86 HB VAL 86 -3.089 -3.785 -3.785 672 1HG1 VAL 86 1HG1 VAL 86 -5.081 -3.382 -3.382 673 2HG1 VAL 86 3HG1 VAL 86 -5.114 -5.136 -5.136 674 3HG1 VAL 86 2HG1 VAL 86 -3.622 -4.327 -4.327 675 1HG2 VAL 86 1HG2 VAL 86 -4.521 -5.274 -5.274 676 2HG2 VAL 86 3HG2 VAL 86 -3.270 -5.943 -5.943 677 3HG2 VAL 86 2HG2 VAL 86 -4.967 -6.057 -6.057 678 H ILE 87 H ILE 87 -6.619 -3.296 -3.296 679 HA ILE 87 HA ILE 87 -8.827 -4.177 -4.177 680 HB ILE 87 HB ILE 87 -10.405 -3.091 -3.091 681 1HG1 ILE 87 2HG1 ILE 87 -8.121 -1.615 -1.615 682 2HG1 ILE 87 1HG1 ILE 87 -8.632 -3.168 -3.168 683 1HG2 ILE 87 2HG2 ILE 87 -8.303 -1.265 -1.265 684 2HG2 ILE 87 1HG2 ILE 87 -9.903 -0.750 -0.750 685 3HG2 ILE 87 3HG2 ILE 87 -9.743 -1.872 -1.872 686 1HD1 ILE 87 3HD1 ILE 87 -11.000 -1.834 -1.834 687 2HD1 ILE 87 2HD1 ILE 87 -9.876 -0.544 -0.544 688 3HD1 ILE 87 1HD1 ILE 87 -10.029 -1.962 -1.962 689 H GLU 88 H GLU 88 -10.517 -5.422 -5.422 690 HA GLU 88 HA GLU 88 -9.329 -7.110 -7.110 691 1HB GLU 88 2HB GLU 88 -9.825 -8.219 -8.219 692 2HB GLU 88 1HB GLU 88 -11.528 -7.895 -7.895 693 1HG GLU 88 2HG GLU 88 -11.647 -9.391 -9.391 694 2HG GLU 88 1HG GLU 88 -9.905 -9.364 -9.364 695 H HIS 89 H HIS 89 -10.099 -5.454 -5.454 696 HA HIS 89 HA HIS 89 -12.698 -4.625 -4.625 697 1HB HIS 89 2HB HIS 89 -10.411 -4.127 -4.127 698 2HB HIS 89 1HB HIS 89 -11.136 -5.231 -5.231 699 HD1 HIS 89 HD1 HIS 89 -12.790 -4.254 -4.254 700 HD2 HIS 89 HD2 HIS 89 -12.106 -1.800 -1.800 701 HE1 HIS 89 HE1 HIS 89 -14.065 -2.140 -2.140 702 HE2 HIS 89 HE2 HIS 89 -13.548 -0.627 -0.627 703 HA PRO 90 HA PRO 90 -14.768 -8.370 -8.370 704 1HB PRO 90 2HB PRO 90 -17.168 -7.322 -7.322 705 2HB PRO 90 1HB PRO 90 -16.593 -7.435 -7.435 706 1HG PRO 90 2HG PRO 90 -16.610 -5.077 -5.077 707 2HG PRO 90 1HG PRO 90 -17.030 -5.155 -5.155 708 1HD PRO 90 2HD PRO 90 -14.611 -4.281 -4.281 709 2HD PRO 90 1HD PRO 90 -14.840 -5.014 -5.014 710 H GLU 91 H GLU 91 -14.150 -5.669 -5.669 711 HA GLU 91 HA GLU 91 -15.288 -6.861 -6.861 712 1HB GLU 91 2HB GLU 91 -14.567 -4.264 -4.264 713 2HB GLU 91 1HB GLU 91 -13.492 -4.672 -4.672 714 1HG GLU 91 2HG GLU 91 -16.387 -5.232 -5.232 715 2HG GLU 91 1HG GLU 91 -15.843 -3.556 -3.556 716 H TYR 92 H TYR 92 -12.247 -6.772 -6.772 717 HA TYR 92 HA TYR 92 -11.025 -8.243 -8.243 718 1HB TYR 92 2HB TYR 92 -9.314 -6.652 -6.652 719 2HB TYR 92 1HB TYR 92 -9.029 -7.091 -7.091 720 HD1 TYR 92 HD2 TYR 92 -11.232 -6.097 -6.097 721 HD2 TYR 92 HD1 TYR 92 -9.366 -4.358 -4.358 722 HE1 TYR 92 HE2 TYR 92 -12.014 -3.879 -3.879 723 HE2 TYR 92 HE1 TYR 92 -10.144 -2.134 -2.134 724 HH TYR 92 HH TYR 92 -11.218 -1.431 -1.431 725 H GLY 93 H GLY 93 -10.657 -7.577 -7.577 726 1HA GLY 93 2HA GLY 93 -11.032 -9.849 -9.849 727 2HA GLY 93 1HA GLY 93 -9.564 -10.272 -10.272 728 H GLU 94 H GLU 94 -7.708 -9.935 -9.935 729 HA GLU 94 HA GLU 94 -7.737 -8.247 -8.247 730 1HB GLU 94 2HB GLU 94 -6.903 -10.756 -10.756 731 2HB GLU 94 1HB GLU 94 -5.417 -9.990 -9.990 732 1HG GLU 94 2HG GLU 94 -4.862 -9.716 -9.716 733 2HG GLU 94 1HG GLU 94 -6.186 -8.559 -8.559 734 H VAL 95 H VAL 95 -7.504 -6.214 -6.214 735 HA VAL 95 HA VAL 95 -4.875 -5.739 -5.739 736 HB VAL 95 HB VAL 95 -5.914 -3.868 -3.868 737 1HG1 VAL 95 2HG1 VAL 95 -5.764 -6.439 -6.439 738 2HG1 VAL 95 1HG1 VAL 95 -7.513 -6.233 -6.233 739 3HG1 VAL 95 3HG1 VAL 95 -6.451 -5.207 -5.207 740 1HG2 VAL 95 2HG2 VAL 95 -7.991 -4.116 -4.116 741 2HG2 VAL 95 1HG2 VAL 95 -8.061 -3.248 -3.248 742 3HG2 VAL 95 3HG2 VAL 95 -8.635 -4.912 -4.912 743 H ILE 96 H ILE 96 -3.726 -3.971 -3.971 744 HA ILE 96 HA ILE 96 -4.397 -2.867 -2.867 745 HB ILE 96 HB ILE 96 -2.085 -2.686 -2.686 746 1HG1 ILE 96 2HG1 ILE 96 -2.560 -4.206 -4.206 747 2HG1 ILE 96 1HG1 ILE 96 -0.934 -3.660 -3.660 748 1HG2 ILE 96 2HG2 ILE 96 -2.552 -0.626 -0.626 749 2HG2 ILE 96 1HG2 ILE 96 -1.030 -0.877 -0.877 750 3HG2 ILE 96 3HG2 ILE 96 -2.457 -0.330 -0.330 751 1HD1 ILE 96 1HD1 ILE 96 -1.191 -1.832 -1.832 752 2HD1 ILE 96 3HD1 ILE 96 -2.791 -2.447 -2.447 753 3HD1 ILE 96 2HD1 ILE 96 -1.360 -3.425 -3.425 754 H GLN 97 H GLN 97 -4.507 -0.511 -0.511 755 HA GLN 97 HA GLN 97 -5.572 0.981 0.981 756 1HB GLN 97 2HB GLN 97 -7.096 0.010 0.010 757 2HB GLN 97 1HB GLN 97 -6.952 1.744 1.744 758 1HG GLN 97 2HG GLN 97 -7.597 1.773 1.773 759 2HG GLN 97 1HG GLN 97 -8.325 0.225 0.225 760 1HE2 GLN 97 2HE2 GLN 97 -10.370 1.969 1.969 761 2HE2 GLN 97 1HE2 GLN 97 -9.102 0.796 0.796 762 H LEU 98 H LEU 98 -3.504 2.019 2.019 763 HA LEU 98 HA LEU 98 -2.451 3.455 3.455 764 1HB LEU 98 2HB LEU 98 -1.897 3.166 3.166 765 2HB LEU 98 1HB LEU 98 -1.555 4.775 4.775 766 HG LEU 98 HG LEU 98 0.144 4.042 4.042 767 1HD1 LEU 98 2HD1 LEU 98 -1.426 1.571 1.571 768 2HD1 LEU 98 1HD1 LEU 98 0.322 1.336 1.336 769 3HD1 LEU 98 3HD1 LEU 98 -0.438 2.355 2.355 770 1HD2 LEU 98 1HD2 LEU 98 0.098 2.330 2.330 771 2HD2 LEU 98 3HD2 LEU 98 0.944 3.855 3.855 772 3HD2 LEU 98 2HD2 LEU 98 1.482 2.395 2.395 773 H GLN 99 H GLN 99 -2.198 5.890 5.890 774 HA GLN 99 HA GLN 99 -4.793 7.102 7.102 775 1HB GLN 99 2HB GLN 99 -3.317 7.090 7.090 776 2HB GLN 99 1HB GLN 99 -3.262 8.734 8.734 777 1HG GLN 99 2HG GLN 99 -5.880 7.335 7.335 778 2HG GLN 99 1HG GLN 99 -5.198 7.905 7.905 779 1HE2 GLN 99 2HE2 GLN 99 -7.342 10.453 10.453 780 2HE2 GLN 99 1HE2 GLN 99 -7.538 8.746 8.746 781 H GLY 100 H GLY 100 -4.868 8.749 8.749 782 1HA GLY 100 2HA GLY 100 -4.109 10.651 10.651 783 2HA GLY 100 1HA GLY 100 -2.496 10.360 10.360 784 H ASP 101 H ASP 101 -2.401 11.021 11.021 785 HA ASP 101 HA ASP 101 -2.738 8.770 8.770 786 1HB ASP 101 2HB ASP 101 -1.606 10.292 10.292 787 2HB ASP 101 1HB ASP 101 -3.097 10.922 10.922 788 H GLN 102 H GLN 102 -1.379 7.362 7.362 789 HA GLN 102 HA GLN 102 1.480 7.835 7.835 790 1HB GLN 102 2HB GLN 102 -0.349 6.040 6.040 791 2HB GLN 102 1HB GLN 102 1.213 5.345 5.345 792 1HG GLN 102 2HG GLN 102 1.013 6.455 6.455 793 2HG GLN 102 1HG GLN 102 2.376 6.949 6.949 794 1HE2 GLN 102 2HE2 GLN 102 -0.719 9.609 9.609 795 2HE2 GLN 102 1HE2 GLN 102 -0.989 7.935 7.935 796 H ARG 103 H ARG 103 -0.558 6.869 6.869 797 HA ARG 103 HA ARG 103 0.145 4.398 4.398 798 1HB ARG 103 2HB ARG 103 -0.394 5.195 5.195 799 2HB ARG 103 1HB ARG 103 -1.532 5.851 5.851 800 1HG ARG 103 2HG ARG 103 -1.047 7.919 7.919 801 2HG ARG 103 1HG ARG 103 0.667 7.655 7.655 802 1HD ARG 103 2HD ARG 103 0.927 7.957 7.957 803 2HD ARG 103 1HD ARG 103 0.317 6.309 6.309 804 HE ARG 103 HE ARG 103 -1.930 7.841 7.841 805 1HH1 ARG 103 2HH1 ARG 103 0.987 7.835 7.835 806 2HH1 ARG 103 1HH1 ARG 103 0.208 8.461 8.461 807 1HH2 ARG 103 1HH2 ARG 103 -2.957 8.664 8.664 808 2HH2 ARG 103 2HH2 ARG 103 -2.031 8.932 8.932 809 H LYS 104 H LYS 104 2.070 7.290 7.290 810 HA LYS 104 HA LYS 104 4.131 6.108 6.108 811 1HB LYS 104 2HB LYS 104 3.457 8.534 8.534 812 2HB LYS 104 1HB LYS 104 4.186 8.785 8.785 813 1HG LYS 104 2HG LYS 104 6.148 7.481 7.481 814 2HG LYS 104 1HG LYS 104 5.426 8.629 8.629 815 1HD LYS 104 2HD LYS 104 6.008 9.640 9.640 816 2HD LYS 104 1HD LYS 104 7.403 9.272 9.272 817 1HE LYS 104 2HE LYS 104 6.128 10.635 10.635 818 2HE LYS 104 1HE LYS 104 5.222 11.274 11.274 819 1HZ LYS 104 2HZ LYS 104 8.182 11.342 11.342 820 2HZ LYS 104 1HZ LYS 104 7.182 12.622 12.622 821 3HZ LYS 104 3HZ LYS 104 7.210 12.123 12.123 822 H ASN 105 H ASN 105 3.415 6.734 6.734 823 HA ASN 105 HA ASN 105 6.132 6.269 6.269 824 1HB ASN 105 2HB ASN 105 3.564 7.034 7.034 825 2HB ASN 105 1HB ASN 105 4.643 6.081 6.081 826 1HD2 ASN 105 2HD2 ASN 105 5.232 9.952 9.952 827 2HD2 ASN 105 1HD2 ASN 105 3.768 9.108 9.108 828 H ILE 106 H ILE 106 3.085 4.486 4.486 829 HA ILE 106 HA ILE 106 3.962 2.241 2.241 830 HB ILE 106 HB ILE 106 1.585 2.731 2.731 831 1HG1 ILE 106 2HG1 ILE 106 0.890 0.413 0.413 832 2HG1 ILE 106 1HG1 ILE 106 2.483 0.031 0.031 833 1HG2 ILE 106 2HG2 ILE 106 1.865 3.414 3.414 834 2HG2 ILE 106 1HG2 ILE 106 2.076 1.716 1.716 835 3HG2 ILE 106 3HG2 ILE 106 0.548 2.272 2.272 836 1HD1 ILE 106 1HD1 ILE 106 2.003 1.004 1.004 837 2HD1 ILE 106 3HD1 ILE 106 2.102 -0.696 -0.696 838 3HD1 ILE 106 2HD1 ILE 106 3.499 0.358 0.358 839 H CYS 107 H CYS 107 3.782 2.822 2.822 840 HA CYS 107 HA CYS 107 4.850 0.363 0.363 841 1HB CYS 107 2HB CYS 107 3.860 1.875 1.875 842 2HB CYS 107 1HB CYS 107 5.051 3.118 3.118 843 HG CYS 107 HG CYS 107 6.352 2.189 2.189 844 H GLN 108 H GLN 108 6.279 3.311 3.311 845 HA GLN 108 HA GLN 108 9.003 2.592 2.592 846 1HB GLN 108 2HB GLN 108 8.761 4.883 4.883 847 2HB GLN 108 1HB GLN 108 7.544 4.789 4.789 848 1HG GLN 108 2HG GLN 108 9.185 5.591 5.591 849 2HG GLN 108 1HG GLN 108 9.702 3.909 3.909 850 1HE2 GLN 108 2HE2 GLN 108 12.519 4.352 4.352 851 2HE2 GLN 108 1HE2 GLN 108 11.330 3.218 3.218 852 H PHE 109 H PHE 109 6.706 2.232 2.232 853 HA PHE 109 HA PHE 109 8.581 1.403 1.403 854 1HB PHE 109 2HB PHE 109 6.361 2.324 2.324 855 2HB PHE 109 1HB PHE 109 5.594 0.929 0.929 856 HD1 PHE 109 HD2 PHE 109 8.167 1.689 1.689 857 HD2 PHE 109 HD1 PHE 109 4.927 -0.782 -0.782 858 HE1 PHE 109 HE2 PHE 109 8.282 0.484 0.484 859 HE2 PHE 109 HE1 PHE 109 5.035 -1.992 -1.992 860 HZ PHE 109 HZ PHE 109 6.714 -1.359 -1.359 861 H LEU 110 H LEU 110 6.372 -0.278 -0.278 862 HA LEU 110 HA LEU 110 6.855 -2.893 -2.893 863 1HB LEU 110 2HB LEU 110 5.870 -1.644 -1.644 864 2HB LEU 110 1HB LEU 110 6.313 -3.340 -3.340 865 HG LEU 110 HG LEU 110 4.613 -3.942 -3.942 866 1HD1 LEU 110 2HD1 LEU 110 5.029 -2.094 -2.094 867 2HD1 LEU 110 1HD1 LEU 110 4.099 -1.025 -1.025 868 3HD1 LEU 110 3HD1 LEU 110 3.318 -2.411 -2.411 869 1HD2 LEU 110 3HD2 LEU 110 3.866 -2.058 -2.058 870 2HD2 LEU 110 2HD2 LEU 110 3.393 -3.737 -3.737 871 3HD2 LEU 110 1HD2 LEU 110 2.609 -2.452 -2.452 872 H VAL 111 H VAL 111 8.710 -0.760 -0.760 873 HA VAL 111 HA VAL 111 10.500 -2.914 -2.914 874 HB VAL 111 HB VAL 111 10.627 0.034 0.034 875 1HG1 VAL 111 3HG1 VAL 111 12.288 -2.315 -2.315 876 2HG1 VAL 111 2HG1 VAL 111 11.986 -1.086 -1.086 877 3HG1 VAL 111 1HG1 VAL 111 12.761 -0.642 -0.642 878 1HG2 VAL 111 2HG2 VAL 111 8.667 -1.595 -1.595 879 2HG2 VAL 111 1HG2 VAL 111 9.325 -0.307 -0.307 880 3HG2 VAL 111 3HG2 VAL 111 9.876 -1.968 -1.968 881 H GLU 112 H GLU 112 10.351 -0.234 -0.234 882 HA GLU 112 HA GLU 112 13.137 -0.101 -0.101 883 1HB GLU 112 2HB GLU 112 10.663 0.903 0.903 884 2HB GLU 112 1HB GLU 112 12.236 1.037 1.037 885 1HG GLU 112 2HG GLU 112 12.119 2.003 2.003 886 2HG GLU 112 1HG GLU 112 11.152 2.912 2.912 887 H ILE 113 H ILE 113 10.390 -1.730 -1.730 888 HA ILE 113 HA ILE 113 12.134 -2.985 -2.985 889 HB ILE 113 HB ILE 113 10.173 -3.805 -3.805 890 1HG1 ILE 113 2HG1 ILE 113 8.750 -3.085 -3.085 891 2HG1 ILE 113 1HG1 ILE 113 8.926 -4.682 -4.682 892 1HG2 ILE 113 1HG2 ILE 113 10.688 -1.236 -1.236 893 2HG2 ILE 113 3HG2 ILE 113 9.142 -1.181 -1.181 894 3HG2 ILE 113 2HG2 ILE 113 9.226 -1.827 -1.827 895 1HD1 ILE 113 3HD1 ILE 113 7.630 -3.009 -3.009 896 2HD1 ILE 113 2HD1 ILE 113 6.830 -2.818 -2.818 897 3HD1 ILE 113 1HD1 ILE 113 6.999 -4.422 -4.422 898 H GLY 114 H GLY 114 10.699 -3.703 -3.703 899 1HA GLY 114 2HA GLY 114 11.290 -5.523 -5.523 900 2HA GLY 114 1HA GLY 114 11.913 -6.356 -6.356 901 H LEU 115 H LEU 115 8.766 -4.838 -4.838 902 HA LEU 115 HA LEU 115 7.467 -7.252 -7.252 903 1HB LEU 115 2HB LEU 115 6.929 -4.591 -4.591 904 2HB LEU 115 1HB LEU 115 5.790 -5.044 -5.044 905 HG LEU 115 HG LEU 115 4.710 -6.617 -6.617 906 1HD1 LEU 115 1HD1 LEU 115 7.138 -6.279 -6.279 907 2HD1 LEU 115 3HD1 LEU 115 5.609 -6.710 -6.710 908 3HD1 LEU 115 2HD1 LEU 115 6.297 -7.750 -7.750 909 1HD2 LEU 115 1HD2 LEU 115 4.719 -3.923 -3.923 910 2HD2 LEU 115 3HD2 LEU 115 3.590 -5.084 -5.084 911 3HD2 LEU 115 2HD2 LEU 115 5.024 -4.594 -4.594 912 H ALA 116 H ALA 116 6.554 -5.133 -5.133 913 HA ALA 116 HA ALA 116 5.668 -7.489 -7.489 914 1HB ALA 116 1HB ALA 116 4.142 -5.572 -5.572 915 2HB ALA 116 3HB ALA 116 5.310 -4.566 -4.566 916 3HB ALA 116 2HB ALA 116 4.545 -5.925 -5.925 917 H LYS 117 H LYS 117 6.210 -7.681 -7.681 918 HA LYS 117 HA LYS 117 9.035 -7.213 -7.213 919 1HB LYS 117 2HB LYS 117 6.971 -8.939 -8.939 920 2HB LYS 117 1HB LYS 117 8.071 -8.285 -8.285 921 1HG LYS 117 2HG LYS 117 9.204 -9.491 -9.491 922 2HG LYS 117 1HG LYS 117 8.581 -10.550 -10.550 923 1HD LYS 117 2HD LYS 117 10.465 -10.284 -10.284 924 2HD LYS 117 1HD LYS 117 10.166 -8.548 -8.548 925 1HE LYS 117 2HE LYS 117 11.138 -8.510 -8.510 926 2HE LYS 117 1HE LYS 117 11.806 -10.084 -10.084 927 1HZ LYS 117 3HZ LYS 117 12.223 -7.673 -7.673 928 2HZ LYS 117 2HZ LYS 117 13.274 -8.102 -8.102 929 3HZ LYS 117 1HZ LYS 117 13.061 -9.141 -9.141 930 H ASP 118 H ASP 118 9.957 -5.962 -5.962 931 HA ASP 118 HA ASP 118 8.772 -3.528 -3.528 932 1HB ASP 118 2HB ASP 118 10.802 -4.789 -4.789 933 2HB ASP 118 1HB ASP 118 10.568 -3.080 -3.080 934 H ASP 119 H ASP 119 8.581 -6.553 -6.553 935 HA ASP 119 HA ASP 119 7.285 -5.421 -5.421 936 1HB ASP 119 2HB ASP 119 8.707 -7.612 -7.612 937 2HB ASP 119 1HB ASP 119 7.193 -8.339 -8.339 938 H GLN 120 H GLN 120 6.374 -6.787 -6.787 939 HA GLN 120 HA GLN 120 3.607 -7.170 -7.170 940 1HB GLN 120 2HB GLN 120 5.058 -7.217 -7.217 941 2HB GLN 120 1HB GLN 120 3.344 -7.561 -7.561 942 1HG GLN 120 2HG GLN 120 3.935 -9.432 -9.432 943 2HG GLN 120 1HG GLN 120 5.636 -9.124 -9.124 944 1HE2 GLN 120 2HE2 GLN 120 3.300 -10.371 -10.371 945 2HE2 GLN 120 1HE2 GLN 120 2.694 -9.237 -9.237 946 H LEU 121 H LEU 121 5.475 -4.484 -4.484 947 HA LEU 121 HA LEU 121 3.893 -2.943 -2.943 948 1HB LEU 121 2HB LEU 121 5.675 -2.130 -2.130 949 2HB LEU 121 1HB LEU 121 4.927 -0.979 -0.979 950 HG LEU 121 HG LEU 121 6.773 -3.174 -3.174 951 1HD1 LEU 121 2HD1 LEU 121 7.335 -0.401 -0.401 952 2HD1 LEU 121 1HD1 LEU 121 8.325 -1.109 -1.109 953 3HD1 LEU 121 3HD1 LEU 121 8.226 -1.893 -1.893 954 1HD2 LEU 121 1HD2 LEU 121 5.178 -1.107 -1.107 955 2HD2 LEU 121 3HD2 LEU 121 5.880 -2.588 -2.588 956 3HD2 LEU 121 2HD2 LEU 121 6.869 -1.136 -1.136 957 H LYS 122 H LYS 122 1.724 -3.289 -3.289 958 HA LYS 122 HA LYS 122 0.756 -2.221 -2.221 959 1HB LYS 122 2HB LYS 122 -0.178 -4.329 -4.329 960 2HB LYS 122 1HB LYS 122 -1.448 -3.312 -3.312 961 1HG LYS 122 2HG LYS 122 0.629 -4.688 -4.688 962 2HG LYS 122 1HG LYS 122 -0.940 -5.397 -5.397 963 1HD LYS 122 2HD LYS 122 -2.054 -4.035 -4.035 964 2HD LYS 122 1HD LYS 122 -1.020 -2.649 -2.649 965 1HE LYS 122 2HE LYS 122 0.463 -3.158 -3.158 966 2HE LYS 122 1HE LYS 122 0.199 -4.894 -4.894 967 1HZ LYS 122 1HZ LYS 122 -2.159 -4.162 -4.162 968 2HZ LYS 122 3HZ LYS 122 -1.218 -2.935 -2.935 969 3HZ LYS 122 2HZ LYS 122 -0.863 -4.557 -4.557 970 H VAL 123 H VAL 123 1.113 -0.028 -0.028 971 HA VAL 123 HA VAL 123 -0.578 0.913 0.913 972 HB VAL 123 HB VAL 123 0.765 2.944 2.944 973 1HG1 VAL 123 3HG1 VAL 123 -0.304 3.129 3.129 974 2HG1 VAL 123 2HG1 VAL 123 1.096 2.254 2.254 975 3HG1 VAL 123 1HG1 VAL 123 1.310 3.822 3.822 976 1HG2 VAL 123 2HG2 VAL 123 2.355 0.686 0.686 977 2HG2 VAL 123 1HG2 VAL 123 2.533 1.487 1.487 978 3HG2 VAL 123 3HG2 VAL 123 3.024 2.316 2.316 979 H HIS 124 H HIS 124 -2.638 1.320 1.320 980 HA HIS 124 HA HIS 124 -3.343 2.476 2.476 981 1HB HIS 124 2HB HIS 124 -5.132 0.907 0.907 982 2HB HIS 124 1HB HIS 124 -5.544 1.481 1.481 983 HD1 HIS 124 HD1 HIS 124 -4.865 0.037 0.037 984 HD2 HIS 124 HD2 HIS 124 -3.264 -1.265 -1.265 985 HE1 HIS 124 HE1 HIS 124 -3.850 -2.211 -2.211 986 HE2 HIS 124 HE2 HIS 124 -2.998 -3.031 -3.031 987 H GLY 125 H GLY 125 -2.670 4.541 4.541 988 1HA GLY 125 2HA GLY 125 -4.016 5.650 5.650 989 2HA GLY 125 1HA GLY 125 -3.327 6.579 6.579 990 H PHE 126 HN PHE 126 -6.086 6.068 6.068 991 HA PHE 126 HA PHE 126 -8.178 5.713 5.713 992 1HB PHE 126 2HB PHE 126 -9.538 6.829 6.829 993 2HB PHE 126 1HB PHE 126 -8.179 6.260 6.260 994 HD1 PHE 126 HD2 PHE 126 -6.120 8.239 8.239 995 HD2 PHE 126 HD1 PHE 126 -10.298 8.752 8.752 996 HE1 PHE 126 HE2 PHE 126 -5.717 10.537 10.537 997 HE2 PHE 126 HE1 PHE 126 -9.903 11.054 11.054 998 HZ PHE 126 HZ PHE 126 -7.611 11.948 11.948 Start of MODEL 29 1 1H MET 1 3H MET 1 -12.835 -3.327 -3.327 2 2H MET 1 2H MET 1 -13.443 -3.725 -3.725 3 3H MET 1 1H MET 1 -12.642 -2.228 -2.228 4 HA MET 1 HA MET 1 -14.938 -1.837 -1.837 5 1HB MET 1 2HB MET 1 -14.957 -4.252 -4.252 6 2HB MET 1 1HB MET 1 -16.147 -3.024 -3.024 7 1HG MET 1 2HG MET 1 -17.392 -4.156 -4.156 8 2HG MET 1 1HG MET 1 -16.536 -3.132 -3.132 9 1HE MET 1 1HE MET 1 -17.902 -5.577 -5.577 10 2HE MET 1 3HE MET 1 -16.770 -4.658 -4.658 11 3HE MET 1 2HE MET 1 -16.650 -6.416 -6.416 12 H ARG 2 H ARG 2 -14.059 -2.726 -2.726 13 HA ARG 2 HA ARG 2 -13.995 0.147 0.147 14 1HB ARG 2 2HB ARG 2 -14.900 -2.055 -2.055 15 2HB ARG 2 1HB ARG 2 -14.995 -0.321 -0.321 16 1HG ARG 2 2HG ARG 2 -16.914 -0.127 -0.127 17 2HG ARG 2 1HG ARG 2 -16.373 -1.195 -1.195 18 1HD ARG 2 2HD ARG 2 -18.142 -2.362 -2.362 19 2HD ARG 2 1HD ARG 2 -16.721 -3.090 -3.090 20 HE ARG 2 HE ARG 2 -17.472 -1.078 -1.078 21 1HH1 ARG 2 2HH1 ARG 2 -19.006 -3.918 -3.918 22 2HH1 ARG 2 1HH1 ARG 2 -20.030 -4.161 -4.161 23 1HH2 ARG 2 1HH2 ARG 2 -18.818 -1.397 -1.397 24 2HH2 ARG 2 2HH2 ARG 2 -19.924 -2.730 -2.730 25 H GLY 3 H GLY 3 -11.673 -0.131 -0.131 26 1HA GLY 3 2HA GLY 3 -10.219 -1.423 -1.423 27 2HA GLY 3 1HA GLY 3 -9.562 -1.192 -1.192 28 H SER 4 H SER 4 -7.757 -0.255 -0.255 29 HA SER 4 HA SER 4 -7.857 2.579 2.579 30 1HB SER 4 2HB SER 4 -7.172 2.749 2.749 31 2HB SER 4 1HB SER 4 -8.877 2.702 2.702 32 HG SER 4 HG SER 4 -7.368 0.869 0.869 33 H HIS 5 H HIS 5 -6.149 -0.037 -0.037 34 HA HIS 5 HA HIS 5 -3.959 -0.640 -0.640 35 1HB HIS 5 2HB HIS 5 -4.488 0.007 0.007 36 2HB HIS 5 1HB HIS 5 -2.971 0.817 0.817 37 HD1 HIS 5 HD1 HIS 5 -4.119 -2.234 -2.234 38 HD2 HIS 5 HD2 HIS 5 -1.169 -1.223 -1.223 39 HE1 HIS 5 HE1 HIS 5 -2.557 -4.203 -4.203 40 HE2 HIS 5 HE2 HIS 5 -0.729 -3.530 -3.530 41 H HIS 6 H HIS 6 -3.579 0.599 0.599 42 HA HIS 6 HA HIS 6 -2.881 3.331 3.331 43 1HB HIS 6 2HB HIS 6 -2.288 1.137 1.137 44 2HB HIS 6 1HB HIS 6 -1.921 2.835 2.835 45 HD1 HIS 6 HD1 HIS 6 -5.052 2.491 2.491 46 HD2 HIS 6 HD2 HIS 6 -3.850 2.383 2.383 47 HE1 HIS 6 HE1 HIS 6 -7.150 2.822 2.822 48 HE2 HIS 6 HE2 HIS 6 -6.410 2.667 2.667 49 H HIS 7 H HIS 7 -0.673 4.069 4.069 50 HA HIS 7 HA HIS 7 1.286 3.443 3.443 51 1HB HIS 7 2HB HIS 7 1.108 5.208 5.208 52 2HB HIS 7 1HB HIS 7 2.729 4.751 4.751 53 HD1 HIS 7 HD1 HIS 7 2.806 5.010 5.010 54 HD2 HIS 7 HD2 HIS 7 0.498 7.584 7.584 55 HE1 HIS 7 HE1 HIS 7 2.454 7.054 7.054 56 HE2 HIS 7 HE2 HIS 7 0.980 8.560 8.560 57 H HIS 8 H HIS 8 1.592 1.182 1.182 58 HA HIS 8 HA HIS 8 3.110 0.327 0.327 59 1HB HIS 8 2HB HIS 8 0.912 -0.845 -0.845 60 2HB HIS 8 1HB HIS 8 1.695 -1.499 -1.499 61 HD1 HIS 8 HD1 HIS 8 3.224 -1.200 -1.200 62 HD2 HIS 8 HD2 HIS 8 1.991 -4.106 -4.106 63 HE1 HIS 8 HE1 HIS 8 3.971 -3.391 -3.391 64 HE2 HIS 8 HE2 HIS 8 3.295 -5.126 -5.126 65 H HIS 9 H HIS 9 2.984 0.328 0.328 66 HA HIS 9 HA HIS 9 4.573 -0.005 -0.005 67 1HB HIS 9 2HB HIS 9 5.780 1.636 1.636 68 2HB HIS 9 1HB HIS 9 6.640 0.238 0.238 69 HD1 HIS 9 HD1 HIS 9 8.371 -0.901 -0.901 70 HD2 HIS 9 HD2 HIS 9 6.562 2.465 2.465 71 HE1 HIS 9 HE1 HIS 9 9.750 -0.309 -0.309 72 HE2 HIS 9 HE2 HIS 9 8.579 1.672 1.672 73 H HIS 10 H HIS 10 6.380 -1.480 -1.480 74 HA HIS 10 HA HIS 10 5.723 -4.142 -4.142 75 1HB HIS 10 2HB HIS 10 6.828 -3.387 -3.387 76 2HB HIS 10 1HB HIS 10 8.303 -3.082 -3.082 77 HD1 HIS 10 HD1 HIS 10 9.252 -5.352 -5.352 78 HD2 HIS 10 HD2 HIS 10 6.730 -5.862 -5.862 79 HE1 HIS 10 HE1 HIS 10 9.628 -7.713 -7.713 80 HE2 HIS 10 HE2 HIS 10 8.155 -7.971 -7.971 81 H THR 11 H THR 11 6.033 -5.190 -5.190 82 HA THR 11 HA THR 11 8.237 -4.439 -4.439 83 HB THR 11 HB THR 11 7.124 -5.947 -5.947 84 HG1 THR 11 HG1 THR 11 5.750 -7.329 -7.329 85 1HG2 THR 11 3HG2 THR 11 6.387 -3.469 -3.469 86 2HG2 THR 11 2HG2 THR 11 4.897 -4.279 -4.279 87 3HG2 THR 11 1HG2 THR 11 5.517 -4.478 -4.478 88 H ASP 12 H ASP 12 9.450 -6.216 -6.216 89 HA ASP 12 HA ASP 12 9.685 -8.723 -8.723 90 1HB ASP 12 2HB ASP 12 12.179 -8.335 -8.335 91 2HB ASP 12 1HB ASP 12 11.060 -7.525 -7.525 92 HA PRO 13 HA PRO 13 10.767 -8.712 -8.712 93 1HB PRO 13 2HB PRO 13 9.132 -10.781 -10.781 94 2HB PRO 13 1HB PRO 13 8.595 -9.097 -9.097 95 1HG PRO 13 2HG PRO 13 8.232 -11.227 -11.227 96 2HG PRO 13 1HG PRO 13 7.063 -10.033 -10.033 97 1HD PRO 13 2HD PRO 13 8.386 -9.720 -9.720 98 2HD PRO 13 1HD PRO 13 7.928 -8.344 -8.344 99 H MET 14 H MET 14 10.871 -10.932 -10.932 100 HA MET 14 HA MET 14 12.291 -12.978 -12.978 101 1HB MET 14 2HB MET 14 11.776 -12.817 -12.817 102 2HB MET 14 1HB MET 14 12.299 -14.232 -14.232 103 1HG MET 14 2HG MET 14 10.222 -14.580 -14.580 104 2HG MET 14 1HG MET 14 9.730 -12.901 -12.901 105 1HE MET 14 1HE MET 14 7.878 -15.187 -15.187 106 2HE MET 14 3HE MET 14 7.244 -13.682 -13.682 107 3HE MET 14 2HE MET 14 7.251 -15.146 -15.146 108 H SER 15 H SER 15 13.257 -10.076 -10.076 109 HA SER 15 HA SER 15 15.845 -10.950 -10.950 110 1HB SER 15 2HB SER 15 14.641 -9.299 -9.299 111 2HB SER 15 1HB SER 15 14.613 -8.183 -8.183 112 HG SER 15 HG SER 15 16.406 -7.545 -7.545 113 H ALA 16 H ALA 16 15.164 -11.219 -11.219 114 HA ALA 16 HA ALA 16 17.475 -10.073 -10.073 115 1HB ALA 16 3HB ALA 16 14.858 -8.712 -8.712 116 2HB ALA 16 2HB ALA 16 16.102 -8.743 -8.743 117 3HB ALA 16 1HB ALA 16 16.444 -8.007 -8.007 118 H ILE 17 H ILE 17 16.305 -12.645 -12.645 119 HA ILE 17 HA ILE 17 15.283 -13.296 -13.296 120 HB ILE 17 HB ILE 17 15.831 -15.199 -15.199 121 1HG1 ILE 17 2HG1 ILE 17 13.162 -13.967 -13.967 122 2HG1 ILE 17 1HG1 ILE 17 14.230 -13.288 -13.288 123 1HG2 ILE 17 3HG2 ILE 17 15.381 -15.827 -15.827 124 2HG2 ILE 17 2HG2 ILE 17 13.710 -15.657 -15.657 125 3HG2 ILE 17 1HG2 ILE 17 14.784 -16.805 -16.805 126 1HD1 ILE 17 3HD1 ILE 17 13.559 -16.165 -16.165 127 2HD1 ILE 17 2HD1 ILE 17 12.300 -14.990 -14.990 128 3HD1 ILE 17 1HD1 ILE 17 13.830 -14.966 -14.966 129 H GLN 18 H GLN 18 16.379 -14.405 -14.405 130 HA GLN 18 HA GLN 18 19.245 -14.524 -14.524 131 1HB GLN 18 2HB GLN 18 17.348 -15.262 -15.262 132 2HB GLN 18 1HB GLN 18 19.096 -15.418 -15.418 133 1HG GLN 18 2HG GLN 18 17.569 -12.868 -12.868 134 2HG GLN 18 1HG GLN 18 18.326 -13.370 -13.370 135 1HE2 GLN 18 2HE2 GLN 18 20.491 -11.677 -11.677 136 2HE2 GLN 18 1HE2 GLN 18 18.821 -12.079 -12.079 137 H ASN 19 H ASN 19 20.549 -16.349 -16.349 138 HA ASN 19 HA ASN 19 19.203 -18.833 -18.833 139 1HB ASN 19 2HB ASN 19 22.116 -18.093 -18.093 140 2HB ASN 19 1HB ASN 19 21.297 -19.487 -19.487 141 1HD2 ASN 19 2HD2 ASN 19 21.574 -16.287 -16.287 142 2HD2 ASN 19 1HD2 ASN 19 22.637 -16.813 -16.813 143 H LEU 20 H LEU 20 19.368 -18.013 -18.013 144 HA LEU 20 HA LEU 20 21.201 -20.053 -20.053 145 1HB LEU 20 2HB LEU 20 21.071 -17.409 -17.409 146 2HB LEU 20 1HB LEU 20 20.026 -18.117 -18.117 147 HG LEU 20 HG LEU 20 22.067 -19.775 -19.775 148 1HD1 LEU 20 2HD1 LEU 20 23.320 -18.739 -18.739 149 2HD1 LEU 20 1HD1 LEU 20 23.434 -17.258 -17.258 150 3HD1 LEU 20 3HD1 LEU 20 24.195 -18.740 -18.740 151 1HD2 LEU 20 1HD2 LEU 20 21.122 -18.343 -18.343 152 2HD2 LEU 20 3HD2 LEU 20 22.885 -18.322 -18.322 153 3HD2 LEU 20 2HD2 LEU 20 22.007 -16.961 -16.961 154 H HIS 21 H HIS 21 20.257 -20.609 -20.609 155 HA HIS 21 HA HIS 21 18.728 -21.835 -21.835 156 1HB HIS 21 2HB HIS 21 16.725 -20.303 -20.303 157 2HB HIS 21 1HB HIS 21 16.355 -21.226 -21.226 158 HD1 HIS 21 HD1 HIS 21 16.026 -18.045 -18.045 159 HD2 HIS 21 HD2 HIS 21 18.919 -19.958 -19.958 160 HE1 HIS 21 HE1 HIS 21 16.827 -16.322 -16.322 161 HE2 HIS 21 HE2 HIS 21 18.519 -17.525 -17.525 162 H SER 22 H SER 22 17.458 -23.730 -23.730 163 HA SER 22 HA SER 22 17.493 -24.949 -24.949 164 1HB SER 22 2HB SER 22 17.145 -26.589 -26.589 165 2HB SER 22 1HB SER 22 17.962 -26.993 -26.993 166 HG SER 22 HG SER 22 19.633 -26.623 -26.623 167 H PHE 23 H PHE 23 15.662 -25.661 -25.661 168 HA PHE 23 HA PHE 23 13.242 -25.936 -25.936 169 1HB PHE 23 2HB PHE 23 13.231 -23.622 -23.622 170 2HB PHE 23 1HB PHE 23 13.377 -24.239 -24.239 171 HD1 PHE 23 HD1 PHE 23 11.232 -25.144 -25.144 172 HD2 PHE 23 HD2 PHE 23 11.425 -23.942 -23.942 173 HE1 PHE 23 HE1 PHE 23 8.781 -25.291 -25.291 174 HE2 PHE 23 HE2 PHE 23 8.974 -24.085 -24.085 175 HZ PHE 23 HZ PHE 23 7.649 -24.760 -24.760 176 H ASP 24 H ASP 24 11.646 -27.272 -27.272 177 HA ASP 24 HA ASP 24 12.559 -29.462 -29.462 178 1HB ASP 24 2HB ASP 24 9.887 -28.439 -28.439 179 2HB ASP 24 1HB ASP 24 9.931 -29.676 -29.676 180 HA PRO 25 HA PRO 25 12.672 -27.387 -27.387 181 1HB PRO 25 2HB PRO 25 13.625 -30.045 -30.045 182 2HB PRO 25 1HB PRO 25 14.386 -28.461 -28.461 183 1HG PRO 25 2HG PRO 25 15.339 -30.265 -30.265 184 2HG PRO 25 1HG PRO 25 15.351 -28.530 -28.530 185 1HD PRO 25 2HD PRO 25 13.475 -30.661 -30.661 186 2HD PRO 25 1HD PRO 25 14.202 -29.312 -29.312 187 H PHE 26 H PHE 26 11.235 -30.469 -30.469 188 HA PHE 26 HA PHE 26 9.585 -30.422 -30.422 189 1HB PHE 26 2HB PHE 26 9.103 -32.627 -32.627 190 2HB PHE 26 1HB PHE 26 9.478 -32.668 -32.668 191 HD1 PHE 26 HD1 PHE 26 12.078 -31.704 -31.704 192 HD2 PHE 26 HD2 PHE 26 10.534 -33.906 -33.906 193 HE1 PHE 26 HE1 PHE 26 14.344 -32.512 -32.512 194 HE2 PHE 26 HE2 PHE 26 12.796 -34.718 -34.718 195 HZ PHE 26 HZ PHE 26 14.705 -34.020 -34.020 196 H ALA 27 H ALA 27 9.232 -30.677 -30.677 197 HA ALA 27 HA ALA 27 7.548 -30.088 -30.088 198 1HB ALA 27 1HB ALA 27 7.914 -27.914 -27.914 199 2HB ALA 27 3HB ALA 27 6.425 -28.333 -28.333 200 3HB ALA 27 2HB ALA 27 6.408 -28.092 -28.092 201 H ASP 28 H ASP 28 6.617 -32.168 -32.168 202 HA ASP 28 HA ASP 28 4.312 -32.518 -32.518 203 1HB ASP 28 2HB ASP 28 5.785 -34.555 -34.555 204 2HB ASP 28 1HB ASP 28 4.433 -34.905 -34.905 205 H ALA 29 H ALA 29 3.146 -30.951 -30.951 206 HA ALA 29 HA ALA 29 1.374 -32.250 -32.250 207 1HB ALA 29 1HB ALA 29 3.597 -31.926 -31.926 208 2HB ALA 29 3HB ALA 29 2.987 -30.282 -30.282 209 3HB ALA 29 2HB ALA 29 2.028 -31.650 -31.650 210 H SER 30 H SER 30 0.323 -30.295 -30.295 211 HA SER 30 HA SER 30 0.169 -27.780 -27.780 212 1HB SER 30 2HB SER 30 -2.166 -29.691 -29.691 213 2HB SER 30 1HB SER 30 -2.230 -27.972 -27.972 214 HG SER 30 HG SER 30 -1.491 -29.932 -29.932 215 H LYS 31 H LYS 31 0.698 -27.212 -27.212 216 HA LYS 31 HA LYS 31 -1.632 -27.283 -27.283 217 1HB LYS 31 2HB LYS 31 0.896 -28.312 -28.312 218 2HB LYS 31 1HB LYS 31 0.924 -26.757 -26.757 219 1HG LYS 31 2HG LYS 31 -1.470 -28.420 -28.420 220 2HG LYS 31 1HG LYS 31 0.043 -29.018 -29.018 221 1HD LYS 31 2HD LYS 31 0.224 -26.476 -26.476 222 2HD LYS 31 1HD LYS 31 -1.533 -26.596 -26.596 223 1HE LYS 31 2HE LYS 31 0.218 -28.513 -28.513 224 2HE LYS 31 1HE LYS 31 -0.595 -27.123 -27.123 225 1HZ LYS 31 2HZ LYS 31 -2.075 -29.216 -29.216 226 2HZ LYS 31 1HZ LYS 31 -1.756 -29.345 -29.345 227 3HZ LYS 31 3HZ LYS 31 -2.687 -28.059 -28.059 228 H GLY 32 H GLY 32 -2.576 -25.360 -25.360 229 1HA GLY 32 2HA GLY 32 -1.125 -22.948 -22.948 230 2HA GLY 32 1HA GLY 32 -2.836 -23.066 -23.066 231 H ASP 33 H ASP 33 -2.063 -24.603 -24.603 232 HA ASP 33 HA ASP 33 -1.703 -24.168 -24.168 233 1HB ASP 33 2HB ASP 33 0.050 -21.904 -21.904 234 2HB ASP 33 1HB ASP 33 0.085 -22.648 -22.648 235 H ASP 34 H ASP 34 -4.058 -23.439 -23.439 236 HA ASP 34 HA ASP 34 -4.696 -20.687 -20.687 237 1HB ASP 34 2HB ASP 34 -6.262 -22.509 -22.509 238 2HB ASP 34 1HB ASP 34 -6.388 -22.985 -22.985 239 H LEU 35 H LEU 35 -3.854 -22.965 -22.965 240 HA LEU 35 HA LEU 35 -4.938 -21.739 -21.739 241 1HB LEU 35 2HB LEU 35 -3.729 -23.977 -23.977 242 2HB LEU 35 1HB LEU 35 -2.237 -23.065 -23.065 243 HG LEU 35 HG LEU 35 -2.914 -22.239 -22.239 244 1HD1 LEU 35 1HD1 LEU 35 -5.382 -23.855 -23.855 245 2HD1 LEU 35 3HD1 LEU 35 -4.889 -23.418 -23.418 246 3HD1 LEU 35 2HD1 LEU 35 -5.261 -22.158 -22.158 247 1HD2 LEU 35 2HD2 LEU 35 -2.763 -25.169 -25.169 248 2HD2 LEU 35 1HD2 LEU 35 -1.590 -24.108 -24.108 249 3HD2 LEU 35 3HD2 LEU 35 -3.043 -24.605 -24.605 250 H LEU 36 H LEU 36 -4.285 -20.125 -20.125 251 HA LEU 36 HA LEU 36 -2.795 -17.998 -17.998 252 1HB LEU 36 2HB LEU 36 -3.512 -18.503 -18.503 253 2HB LEU 36 1HB LEU 36 -3.010 -16.968 -16.968 254 HG LEU 36 HG LEU 36 -5.489 -18.403 -18.403 255 1HD1 LEU 36 3HD1 LEU 36 -5.066 -16.608 -16.608 256 2HD1 LEU 36 2HD1 LEU 36 -6.589 -16.551 -16.551 257 3HD1 LEU 36 1HD1 LEU 36 -6.059 -18.058 -18.058 258 1HD2 LEU 36 1HD2 LEU 36 -4.210 -16.437 -16.437 259 2HD2 LEU 36 3HD2 LEU 36 -5.972 -16.522 -16.522 260 3HD2 LEU 36 2HD2 LEU 36 -5.111 -15.460 -15.460 261 HA PRO 37 HA PRO 37 1.266 -19.627 -19.627 262 1HB PRO 37 2HB PRO 37 2.706 -17.586 -17.586 263 2HB PRO 37 1HB PRO 37 1.933 -18.811 -18.811 264 1HG PRO 37 2HG PRO 37 1.006 -16.043 -16.043 265 2HG PRO 37 1HG PRO 37 0.990 -16.884 -16.884 266 1HD PRO 37 2HD PRO 37 -1.209 -16.659 -16.659 267 2HD PRO 37 1HD PRO 37 -0.932 -18.043 -18.043 268 H ALA 38 H ALA 38 0.500 -16.191 -16.191 269 HA ALA 38 HA ALA 38 2.048 -16.327 -16.327 270 1HB ALA 38 2HB ALA 38 2.903 -14.780 -14.780 271 2HB ALA 38 1HB ALA 38 1.454 -13.811 -13.811 272 3HB ALA 38 3HB ALA 38 2.614 -14.041 -14.041 273 H GLY 39 H GLY 39 1.010 -15.943 -15.943 274 1HA GLY 39 2HA GLY 39 -1.845 -15.431 -15.431 275 2HA GLY 39 1HA GLY 39 -0.909 -15.859 -15.859 276 H THR 40 H THR 40 -1.366 -14.304 -14.304 277 HA THR 40 HA THR 40 -1.168 -11.504 -11.504 278 HB THR 40 HB THR 40 -2.320 -11.261 -11.261 279 HG1 THR 40 HG1 THR 40 -3.177 -13.034 -13.034 280 1HG2 THR 40 1HG2 THR 40 -3.821 -12.047 -12.047 281 2HG2 THR 40 3HG2 THR 40 -4.512 -11.264 -11.264 282 3HG2 THR 40 2HG2 THR 40 -3.313 -10.416 -10.416 283 H GLU 41 H GLU 41 0.340 -13.905 -13.905 284 HA GLU 41 HA GLU 41 2.220 -13.892 -13.892 285 1HB GLU 41 2HB GLU 41 2.410 -11.420 -11.420 286 2HB GLU 41 1HB GLU 41 3.249 -11.330 -11.330 287 1HG GLU 41 2HG GLU 41 3.659 -13.531 -13.531 288 2HG GLU 41 1HG GLU 41 4.650 -12.076 -12.076 289 H ASP 42 H ASP 42 -0.532 -12.610 -12.610 290 HA ASP 42 HA ASP 42 -1.460 -11.704 -11.704 291 1HB ASP 42 2HB ASP 42 0.625 -13.563 -13.563 292 2HB ASP 42 1HB ASP 42 0.295 -12.339 -12.339 293 H TYR 43 H TYR 43 -0.591 -9.649 -9.649 294 HA TYR 43 HA TYR 43 1.575 -8.227 -8.227 295 1HB TYR 43 2HB TYR 43 -0.928 -7.161 -7.161 296 2HB TYR 43 1HB TYR 43 0.539 -6.235 -6.235 297 HD1 TYR 43 HD1 TYR 43 2.251 -8.882 -8.882 298 HD2 TYR 43 HD2 TYR 43 -0.724 -6.563 -6.563 299 HE1 TYR 43 HE1 TYR 43 3.137 -9.602 -9.602 300 HE2 TYR 43 HE2 TYR 43 0.157 -7.276 -7.276 301 HH TYR 43 HH TYR 43 2.233 -9.844 -9.844 302 H ILE 44 H ILE 44 1.337 -6.104 -6.104 303 HA ILE 44 HA ILE 44 -0.549 -6.452 -6.452 304 HB ILE 44 HB ILE 44 2.194 -5.224 -5.224 305 1HG1 ILE 44 2HG1 ILE 44 2.824 -6.905 -6.905 306 2HG1 ILE 44 1HG1 ILE 44 1.357 -6.799 -6.799 307 1HG2 ILE 44 2HG2 ILE 44 -0.056 -4.392 -4.392 308 2HG2 ILE 44 1HG2 ILE 44 1.456 -4.708 -4.708 309 3HG2 ILE 44 3HG2 ILE 44 1.408 -3.519 -3.519 310 1HD1 ILE 44 2HD1 ILE 44 1.593 -8.186 -8.186 311 2HD1 ILE 44 1HD1 ILE 44 1.617 -8.973 -8.973 312 3HD1 ILE 44 3HD1 ILE 44 0.164 -8.136 -8.136 313 H HIS 45 H HIS 45 -2.190 -5.525 -5.525 314 HA HIS 45 HA HIS 45 -2.112 -2.989 -2.989 315 1HB HIS 45 2HB HIS 45 -3.949 -5.072 -5.072 316 2HB HIS 45 1HB HIS 45 -4.734 -3.699 -3.699 317 HD1 HIS 45 HD1 HIS 45 -3.696 -5.036 -5.036 318 HD2 HIS 45 HD2 HIS 45 -5.373 -1.570 -1.570 319 HE1 HIS 45 HE1 HIS 45 -4.608 -3.786 -3.786 320 HE2 HIS 45 HE2 HIS 45 -5.717 -1.744 -1.744 321 H ILE 46 H ILE 46 -1.742 -1.120 -1.120 322 HA ILE 46 HA ILE 46 -2.275 -0.747 -0.747 323 HB ILE 46 HB ILE 46 -1.531 1.361 1.361 324 1HG1 ILE 46 2HG1 ILE 46 0.059 -0.590 -0.590 325 2HG1 ILE 46 1HG1 ILE 46 0.761 0.971 0.971 326 1HG2 ILE 46 1HG2 ILE 46 -1.507 1.297 1.297 327 2HG2 ILE 46 3HG2 ILE 46 -0.586 2.473 2.473 328 3HG2 ILE 46 2HG2 ILE 46 -2.344 2.427 2.427 329 1HD1 ILE 46 3HD1 ILE 46 0.073 0.182 0.182 330 2HD1 ILE 46 2HD1 ILE 46 0.281 -1.397 -1.397 331 3HD1 ILE 46 1HD1 ILE 46 1.613 -0.241 -0.241 332 H ARG 47 H ARG 47 -3.226 1.827 1.827 333 HA ARG 47 HA ARG 47 -5.248 2.719 2.719 334 1HB ARG 47 2HB ARG 47 -5.930 0.103 0.103 335 2HB ARG 47 1HB ARG 47 -6.930 0.892 0.892 336 1HG ARG 47 2HG ARG 47 -8.070 2.162 2.162 337 2HG ARG 47 1HG ARG 47 -6.859 1.836 1.836 338 1HD ARG 47 2HD ARG 47 -7.726 -0.195 -0.195 339 2HD ARG 47 1HD ARG 47 -8.206 -0.520 -0.520 340 HE ARG 47 HE ARG 47 -9.769 1.523 1.523 341 1HH1 ARG 47 2HH1 ARG 47 -9.428 -1.906 -1.906 342 2HH1 ARG 47 1HH1 ARG 47 -11.102 -2.245 -2.245 343 1HH2 ARG 47 1HH2 ARG 47 -11.969 1.079 1.079 344 2HH2 ARG 47 2HH2 ARG 47 -12.544 -0.550 -0.550 345 H ILE 48 H ILE 48 -5.812 4.547 4.547 346 HA ILE 48 HA ILE 48 -5.892 4.787 4.787 347 HB ILE 48 HB ILE 48 -5.580 6.769 6.769 348 1HG1 ILE 48 2HG1 ILE 48 -4.061 6.268 6.268 349 2HG1 ILE 48 1HG1 ILE 48 -3.566 5.776 5.776 350 1HG2 ILE 48 3HG2 ILE 48 -6.394 7.439 7.439 351 2HG2 ILE 48 2HG2 ILE 48 -5.759 8.603 8.603 352 3HG2 ILE 48 1HG2 ILE 48 -7.289 7.786 7.786 353 1HD1 ILE 48 3HD1 ILE 48 -3.973 8.635 8.635 354 2HD1 ILE 48 2HD1 ILE 48 -2.418 7.800 7.800 355 3HD1 ILE 48 1HD1 ILE 48 -3.255 8.043 8.043 356 H GLN 49 H GLN 49 -7.643 5.973 5.973 357 HA GLN 49 HA GLN 49 -10.108 6.195 6.195 358 1HB GLN 49 2HB GLN 49 -11.414 5.006 5.006 359 2HB GLN 49 1HB GLN 49 -10.177 3.958 3.958 360 1HG GLN 49 2HG GLN 49 -8.892 5.001 5.001 361 2HG GLN 49 1HG GLN 49 -10.552 4.907 4.907 362 1HE2 GLN 49 2HE2 GLN 49 -10.535 1.477 1.477 363 2HE2 GLN 49 1HE2 GLN 49 -11.365 2.985 2.985 364 H GLN 50 H GLN 50 -10.229 8.373 8.373 365 HA GLN 50 HA GLN 50 -9.939 9.606 9.606 366 1HB GLN 50 2HB GLN 50 -9.140 10.407 10.407 367 2HB GLN 50 1HB GLN 50 -10.590 11.367 11.367 368 1HG GLN 50 2HG GLN 50 -9.685 12.314 12.314 369 2HG GLN 50 1HG GLN 50 -8.304 11.222 11.222 370 1HE2 GLN 50 2HE2 GLN 50 -6.628 13.965 13.965 371 2HE2 GLN 50 1HE2 GLN 50 -6.910 13.005 13.005 372 H ARG 51 H ARG 51 -11.600 10.150 10.150 373 HA ARG 51 HA ARG 51 -14.281 10.176 10.176 374 1HB ARG 51 2HB ARG 51 -13.219 9.071 9.071 375 2HB ARG 51 1HB ARG 51 -14.529 10.189 10.189 376 1HG ARG 51 2HG ARG 51 -15.667 8.216 8.216 377 2HG ARG 51 1HG ARG 51 -15.778 8.873 8.873 378 1HD ARG 51 2HD ARG 51 -14.356 7.322 7.322 379 2HD ARG 51 1HD ARG 51 -13.436 7.168 7.168 380 HE ARG 51 HE ARG 51 -14.770 5.412 5.412 381 1HH1 ARG 51 2HH1 ARG 51 -16.462 7.349 7.349 382 2HH1 ARG 51 1HH1 ARG 51 -17.794 6.251 6.251 383 1HH2 ARG 51 1HH2 ARG 51 -16.522 3.966 3.966 384 2HH2 ARG 51 2HH2 ARG 51 -17.830 4.330 4.330 385 H ASN 52 H ASN 52 -15.423 12.014 12.014 386 HA ASN 52 HA ASN 52 -16.036 14.180 14.180 387 1HB ASN 52 2HB ASN 52 -16.018 13.465 13.465 388 2HB ASN 52 1HB ASN 52 -14.393 14.136 14.136 389 1HD2 ASN 52 2HD2 ASN 52 -15.511 17.333 17.333 390 2HD2 ASN 52 1HD2 ASN 52 -14.265 16.141 16.141 391 H GLY 53 H GLY 53 -13.390 13.323 13.323 392 1HA GLY 53 2HA GLY 53 -11.652 14.367 14.367 393 2HA GLY 53 1HA GLY 53 -12.483 15.880 15.880 394 H ARG 54 H ARG 54 -11.077 13.492 13.492 395 HA ARG 54 HA ARG 54 -8.753 14.947 14.947 396 1HB ARG 54 2HB ARG 54 -9.253 16.050 16.050 397 2HB ARG 54 1HB ARG 54 -10.475 16.551 16.551 398 1HG ARG 54 2HG ARG 54 -11.867 16.120 16.120 399 2HG ARG 54 1HG ARG 54 -11.742 14.464 14.464 400 1HD ARG 54 2HD ARG 54 -11.433 14.689 14.689 401 2HD ARG 54 1HD ARG 54 -10.073 13.934 13.934 402 HE ARG 54 HE ARG 54 -8.761 15.658 15.658 403 1HH1 ARG 54 2HH1 ARG 54 -12.092 16.688 16.688 404 2HH1 ARG 54 1HH1 ARG 54 -11.719 18.208 18.208 405 1HH2 ARG 54 1HH2 ARG 54 -8.268 17.656 17.656 406 2HH2 ARG 54 2HH2 ARG 54 -9.549 18.757 18.757 407 H LYS 55 H LYS 55 -11.232 12.767 12.767 408 HA LYS 55 HA LYS 55 -9.485 11.484 11.484 409 1HB LYS 55 2HB LYS 55 -12.189 10.747 10.747 410 2HB LYS 55 1HB LYS 55 -11.337 9.747 9.747 411 1HG LYS 55 2HG LYS 55 -12.087 12.625 12.625 412 2HG LYS 55 1HG LYS 55 -13.046 11.243 11.243 413 1HD LYS 55 2HD LYS 55 -10.181 11.767 11.767 414 2HD LYS 55 1HD LYS 55 -11.589 12.164 12.164 415 1HE LYS 55 2HE LYS 55 -11.776 9.439 9.439 416 2HE LYS 55 1HE LYS 55 -10.178 9.717 9.717 417 1HZ LYS 55 1HZ LYS 55 -12.450 10.809 10.809 418 2HZ LYS 55 3HZ LYS 55 -12.288 9.124 9.124 419 3HZ LYS 55 2HZ LYS 55 -11.029 10.098 10.098 420 H THR 56 H THR 56 -7.799 11.311 11.311 421 HA THR 56 HA THR 56 -8.146 9.229 9.229 422 HB THR 56 HB THR 56 -5.394 9.995 9.995 423 HG1 THR 56 HG1 THR 56 -5.619 12.068 12.068 424 1HG2 THR 56 3HG2 THR 56 -7.009 9.486 9.486 425 2HG2 THR 56 2HG2 THR 56 -5.982 10.908 10.908 426 3HG2 THR 56 1HG2 THR 56 -5.266 9.348 9.348 427 H LEU 57 H LEU 57 -7.559 7.131 7.131 428 HA LEU 57 HA LEU 57 -5.998 6.190 6.190 429 1HB LEU 57 2HB LEU 57 -8.816 5.488 5.488 430 2HB LEU 57 1HB LEU 57 -7.774 4.199 4.199 431 HG LEU 57 HG LEU 57 -7.891 6.737 6.737 432 1HD1 LEU 57 3HD1 LEU 57 -10.113 4.818 4.818 433 2HD1 LEU 57 2HD1 LEU 57 -9.776 5.358 5.358 434 3HD1 LEU 57 1HD1 LEU 57 -10.150 6.538 6.538 435 1HD2 LEU 57 2HD2 LEU 57 -7.079 3.937 3.937 436 2HD2 LEU 57 1HD2 LEU 57 -6.459 5.412 5.412 437 3HD2 LEU 57 3HD2 LEU 57 -7.928 4.663 4.663 438 H THR 58 H THR 58 -4.271 5.477 5.477 439 HA THR 58 HA THR 58 -4.548 4.109 4.109 440 HB THR 58 HB THR 58 -2.145 4.390 4.390 441 HG1 THR 58 HG1 THR 58 -3.239 6.324 6.324 442 1HG2 THR 58 3HG2 THR 58 -2.304 2.659 2.659 443 2HG2 THR 58 2HG2 THR 58 -1.769 4.119 4.119 444 3HG2 THR 58 1HG2 THR 58 -0.823 3.472 3.472 445 H THR 59 H THR 59 -5.207 2.068 2.068 446 HA THR 59 HA THR 59 -4.772 0.234 0.234 447 HB THR 59 HB THR 59 -6.303 -1.162 -1.162 448 HG1 THR 59 HG1 THR 59 -7.787 0.250 0.250 449 1HG2 THR 59 2HG2 THR 59 -7.006 0.579 0.579 450 2HG2 THR 59 1HG2 THR 59 -8.287 -0.141 -0.141 451 3HG2 THR 59 3HG2 THR 59 -7.108 -1.175 -1.175 452 H VAL 60 H VAL 60 -4.180 -2.012 -2.012 453 HA VAL 60 HA VAL 60 -2.456 -2.256 -2.256 454 HB VAL 60 HB VAL 60 -1.795 -3.347 -3.347 455 1HG1 VAL 60 2HG1 VAL 60 -1.000 -4.376 -4.376 456 2HG1 VAL 60 1HG1 VAL 60 0.255 -3.164 -3.164 457 3HG1 VAL 60 3HG1 VAL 60 -0.016 -4.415 -4.415 458 1HG2 VAL 60 3HG2 VAL 60 -1.011 -0.847 -0.847 459 2HG2 VAL 60 2HG2 VAL 60 -1.348 -1.117 -1.117 460 3HG2 VAL 60 1HG2 VAL 60 0.181 -1.657 -1.657 461 H GLN 61 H GLN 61 -3.433 -3.697 -3.697 462 HA GLN 61 HA GLN 61 -4.995 -5.863 -5.863 463 1HB GLN 61 2HB GLN 61 -4.856 -4.491 -4.491 464 2HB GLN 61 1HB GLN 61 -4.840 -6.231 -6.231 465 1HG GLN 61 2HG GLN 61 -7.037 -6.212 -6.212 466 2HG GLN 61 1HG GLN 61 -6.823 -5.765 -5.765 467 1HE2 GLN 61 2HE2 GLN 61 -7.024 -2.181 -2.181 468 2HE2 GLN 61 1HE2 GLN 61 -5.741 -3.174 -3.174 469 H GLY 62 H GLY 62 -2.598 -6.365 -6.365 470 1HA GLY 62 2HA GLY 62 -1.904 -8.851 -8.851 471 2HA GLY 62 1HA GLY 62 -0.666 -7.624 -7.624 472 H ILE 63 H ILE 63 0.878 -8.555 -8.555 473 HA ILE 63 HA ILE 63 2.026 -9.063 -9.063 474 HB ILE 63 HB ILE 63 0.031 -7.063 -7.063 475 1HG1 ILE 63 2HG1 ILE 63 1.809 -5.555 -5.555 476 2HG1 ILE 63 1HG1 ILE 63 3.015 -6.827 -6.827 477 1HG2 ILE 63 3HG2 ILE 63 1.614 -8.861 -8.861 478 2HG2 ILE 63 2HG2 ILE 63 1.841 -7.153 -7.153 479 3HG2 ILE 63 1HG2 ILE 63 0.224 -7.857 -7.857 480 1HD1 ILE 63 1HD1 ILE 63 1.346 -6.384 -6.384 481 2HD1 ILE 63 3HD1 ILE 63 2.932 -5.658 -5.658 482 3HD1 ILE 63 2HD1 ILE 63 2.768 -7.412 -7.412 483 H ALA 64 H ALA 64 2.070 -10.532 -10.532 484 HA ALA 64 HA ALA 64 -0.381 -12.127 -12.127 485 1HB ALA 64 2HB ALA 64 2.497 -12.783 -12.783 486 2HB ALA 64 1HB ALA 64 1.503 -13.740 -13.740 487 3HB ALA 64 3HB ALA 64 1.109 -13.676 -13.676 488 H ASP 65 H ASP 65 -0.903 -13.037 -13.037 489 HA ASP 65 HA ASP 65 -0.857 -11.173 -11.173 490 1HB ASP 65 2HB ASP 65 -2.351 -13.352 -13.352 491 2HB ASP 65 1HB ASP 65 -1.285 -14.022 -14.022 492 H ASP 66 H ASP 66 1.452 -13.517 -13.517 493 HA ASP 66 HA ASP 66 2.736 -13.555 -13.555 494 1HB ASP 66 2HB ASP 66 3.525 -15.000 -15.000 495 2HB ASP 66 1HB ASP 66 4.198 -15.267 -15.267 496 H TYR 67 H TYR 67 2.670 -11.075 -11.075 497 HA TYR 67 HA TYR 67 5.422 -10.738 -10.738 498 1HB TYR 67 2HB TYR 67 2.883 -9.218 -9.218 499 2HB TYR 67 1HB TYR 67 4.389 -8.313 -8.313 500 HD1 TYR 67 HD2 TYR 67 4.484 -11.748 -11.748 501 HD2 TYR 67 HD1 TYR 67 3.816 -7.708 -7.708 502 HE1 TYR 67 HE2 TYR 67 4.782 -12.376 -12.376 503 HE2 TYR 67 HE1 TYR 67 4.108 -8.321 -8.321 504 HH TYR 67 HH TYR 67 5.565 -10.743 -10.743 505 H ASP 68 H ASP 68 4.753 -11.163 -11.163 506 HA ASP 68 HA ASP 68 5.667 -10.474 -10.474 507 1HB ASP 68 2HB ASP 68 7.210 -9.123 -9.123 508 2HB ASP 68 1HB ASP 68 6.458 -7.779 -7.779 509 H LYS 69 H LYS 69 3.255 -8.854 -8.854 510 HA LYS 69 HA LYS 69 1.468 -7.605 -7.605 511 1HB LYS 69 2HB LYS 69 2.094 -9.273 -9.273 512 2HB LYS 69 1HB LYS 69 1.475 -7.729 -7.729 513 1HG LYS 69 2HG LYS 69 -0.441 -8.067 -8.067 514 2HG LYS 69 1HG LYS 69 0.130 -9.729 -9.729 515 1HD LYS 69 2HD LYS 69 -0.496 -10.287 -10.287 516 2HD LYS 69 1HD LYS 69 -0.269 -8.647 -8.647 517 1HE LYS 69 2HE LYS 69 -2.389 -8.059 -8.059 518 2HE LYS 69 1HE LYS 69 -2.394 -8.903 -8.903 519 1HZ LYS 69 3HZ LYS 69 -2.411 -10.553 -10.553 520 2HZ LYS 69 2HZ LYS 69 -3.831 -9.700 -9.700 521 3HZ LYS 69 1HZ LYS 69 -3.202 -10.785 -10.785 522 H LYS 70 H LYS 70 3.336 -7.017 -7.017 523 HA LYS 70 HA LYS 70 2.883 -4.288 -4.288 524 1HB LYS 70 2HB LYS 70 5.292 -5.792 -5.792 525 2HB LYS 70 1HB LYS 70 4.802 -4.180 -4.180 526 1HG LYS 70 2HG LYS 70 2.589 -5.276 -5.276 527 2HG LYS 70 1HG LYS 70 3.463 -6.803 -6.803 528 1HD LYS 70 2HD LYS 70 3.768 -6.293 -6.293 529 2HD LYS 70 1HD LYS 70 5.226 -5.610 -5.610 530 1HE LYS 70 2HE LYS 70 3.463 -3.531 -3.531 531 2HE LYS 70 1HE LYS 70 2.973 -4.283 -4.283 532 1HZ LYS 70 2HZ LYS 70 5.830 -3.915 -3.915 533 2HZ LYS 70 1HZ LYS 70 4.929 -2.494 -2.494 534 3HZ LYS 70 3HZ LYS 70 4.874 -3.683 -3.683 535 H LYS 71 H LYS 71 5.994 -5.775 -5.775 536 HA LYS 71 HA LYS 71 7.263 -3.540 -3.540 537 1HB LYS 71 2HB LYS 71 8.091 -5.987 -5.987 538 2HB LYS 71 1HB LYS 71 7.522 -6.162 -6.162 539 1HG LYS 71 2HG LYS 71 8.987 -4.258 -4.258 540 2HG LYS 71 1HG LYS 71 9.632 -4.267 -4.267 541 1HD LYS 71 2HD LYS 71 11.119 -5.781 -5.781 542 2HD LYS 71 1HD LYS 71 9.787 -6.921 -6.921 543 1HE LYS 71 2HE LYS 71 9.523 -5.649 -5.649 544 2HE LYS 71 1HE LYS 71 11.232 -5.308 -5.308 545 1HZ LYS 71 1HZ LYS 71 11.237 -7.886 -7.886 546 2HZ LYS 71 3HZ LYS 71 9.907 -7.851 -7.851 547 3HZ LYS 71 2HZ LYS 71 11.410 -7.280 -7.280 548 H LEU 72 H LEU 72 4.630 -5.263 -5.263 549 HA LEU 72 HA LEU 72 4.978 -4.371 -4.371 550 1HB LEU 72 2HB LEU 72 3.481 -6.265 -6.265 551 2HB LEU 72 1HB LEU 72 2.297 -4.995 -4.995 552 HG LEU 72 HG LEU 72 3.441 -6.034 -6.034 553 1HD1 LEU 72 1HD1 LEU 72 0.780 -6.016 -6.016 554 2HD1 LEU 72 3HD1 LEU 72 0.862 -6.029 -6.029 555 3HD1 LEU 72 2HD1 LEU 72 1.614 -7.327 -7.327 556 1HD2 LEU 72 2HD2 LEU 72 2.000 -3.453 -3.453 557 2HD2 LEU 72 1HD2 LEU 72 3.487 -3.719 -3.719 558 3HD2 LEU 72 3HD2 LEU 72 1.941 -4.249 -4.249 559 H VAL 73 H VAL 73 2.180 -3.443 -3.443 560 HA VAL 73 HA VAL 73 2.115 -0.869 -0.869 561 HB VAL 73 HB VAL 73 0.088 -2.335 -2.335 562 1HG1 VAL 73 1HG1 VAL 73 0.678 -2.693 -2.693 563 2HG1 VAL 73 3HG1 VAL 73 0.431 -0.975 -0.975 564 3HG1 VAL 73 2HG1 VAL 73 -0.926 -1.985 -1.985 565 1HG2 VAL 73 3HG2 VAL 73 0.167 0.109 0.109 566 2HG2 VAL 73 2HG2 VAL 73 -1.322 -0.483 -0.483 567 3HG2 VAL 73 1HG2 VAL 73 -0.203 0.506 0.506 568 H LYS 74 H LYS 74 2.594 -2.076 -2.076 569 HA LYS 74 HA LYS 74 2.688 0.302 0.302 570 1HB LYS 74 2HB LYS 74 3.059 -2.227 -2.227 571 2HB LYS 74 1HB LYS 74 4.750 -1.754 -1.754 572 1HG LYS 74 2HG LYS 74 2.617 -0.489 -0.489 573 2HG LYS 74 1HG LYS 74 3.943 -1.516 -1.516 574 1HD LYS 74 2HD LYS 74 5.473 0.250 0.250 575 2HD LYS 74 1HD LYS 74 4.044 1.287 1.287 576 1HE LYS 74 2HE LYS 74 4.933 -0.137 -0.137 577 2HE LYS 74 1HE LYS 74 5.694 1.377 1.377 578 1HZ LYS 74 3HZ LYS 74 2.764 1.070 1.070 579 2HZ LYS 74 2HZ LYS 74 3.787 1.600 1.600 580 3HZ LYS 74 1HZ LYS 74 3.639 2.508 2.508 581 H ALA 75 H ALA 75 5.257 -1.244 -1.244 582 HA ALA 75 HA ALA 75 7.287 0.610 0.610 583 1HB ALA 75 3HB ALA 75 7.494 -1.727 -1.727 584 2HB ALA 75 2HB ALA 75 7.241 -0.883 -0.883 585 3HB ALA 75 1HB ALA 75 8.615 -0.464 -0.464 586 H PHE 76 H PHE 76 4.813 0.562 0.562 587 HA PHE 76 HA PHE 76 5.788 2.510 2.510 588 1HB PHE 76 2HB PHE 76 3.583 1.085 1.085 589 2HB PHE 76 1HB PHE 76 2.873 2.492 2.492 590 HD1 PHE 76 HD2 PHE 76 4.666 1.341 1.341 591 HD2 PHE 76 HD1 PHE 76 2.393 4.467 4.467 592 HE1 PHE 76 HE2 PHE 76 4.490 2.452 2.452 593 HE2 PHE 76 HE1 PHE 76 2.215 5.583 5.583 594 HZ PHE 76 HZ PHE 76 3.261 4.577 4.577 595 H LYS 77 H LYS 77 3.695 2.954 2.954 596 HA LYS 77 HA LYS 77 3.620 5.762 5.762 597 1HB LYS 77 2HB LYS 77 3.355 3.992 3.992 598 2HB LYS 77 1HB LYS 77 2.764 5.640 5.640 599 1HG LYS 77 2HG LYS 77 0.836 4.848 4.848 600 2HG LYS 77 1HG LYS 77 1.665 4.170 4.170 601 1HD LYS 77 2HD LYS 77 0.713 2.275 2.275 602 2HD LYS 77 1HD LYS 77 2.272 2.254 2.254 603 1HE LYS 77 2HE LYS 77 0.310 1.817 1.817 604 2HE LYS 77 1HE LYS 77 1.315 3.176 3.176 605 1HZ LYS 77 1HZ LYS 77 -1.016 3.678 3.678 606 2HZ LYS 77 3HZ LYS 77 -1.259 3.399 3.399 607 3HZ LYS 77 2HZ LYS 77 -0.288 4.688 4.688 608 H LYS 78 H LYS 78 6.159 3.663 3.663 609 HA LYS 78 HA LYS 78 7.479 5.689 5.689 610 1HB LYS 78 2HB LYS 78 7.320 3.090 3.090 611 2HB LYS 78 1HB LYS 78 8.715 3.038 3.038 612 1HG LYS 78 2HG LYS 78 8.911 5.085 5.085 613 2HG LYS 78 1HG LYS 78 8.789 3.441 3.441 614 1HD LYS 78 2HD LYS 78 10.642 3.805 3.805 615 2HD LYS 78 1HD LYS 78 11.108 4.604 4.604 616 1HE LYS 78 2HE LYS 78 10.789 2.436 2.436 617 2HE LYS 78 1HE LYS 78 10.493 1.677 1.677 618 1HZ LYS 78 3HZ LYS 78 12.963 3.217 3.217 619 2HZ LYS 78 2HZ LYS 78 12.854 1.639 1.639 620 3HZ LYS 78 1HZ LYS 78 12.672 1.929 1.929 621 H LYS 79 H LYS 79 7.485 4.370 4.370 622 HA LYS 79 HA LYS 79 10.160 5.395 5.395 623 1HB LYS 79 2HB LYS 79 9.262 3.103 3.103 624 2HB LYS 79 1HB LYS 79 8.361 4.020 4.020 625 1HG LYS 79 2HG LYS 79 10.706 5.059 5.059 626 2HG LYS 79 1HG LYS 79 11.293 3.581 3.581 627 1HD LYS 79 2HD LYS 79 10.294 2.214 2.214 628 2HD LYS 79 1HD LYS 79 9.221 3.500 3.500 629 1HE LYS 79 2HE LYS 79 11.085 2.998 2.998 630 2HE LYS 79 1HE LYS 79 11.046 4.672 4.672 631 1HZ LYS 79 1HZ LYS 79 12.768 4.116 4.116 632 2HZ LYS 79 3HZ LYS 79 12.825 2.531 2.531 633 3HZ LYS 79 2HZ LYS 79 13.288 3.818 3.818 634 H PHE 80 H PHE 80 6.779 5.931 5.931 635 HA PHE 80 HA PHE 80 7.613 8.294 8.294 636 1HB PHE 80 2HB PHE 80 4.936 6.918 6.918 637 2HB PHE 80 1HB PHE 80 5.614 8.106 8.106 638 HD1 PHE 80 HD2 PHE 80 5.716 4.613 4.613 639 HD2 PHE 80 HD1 PHE 80 7.202 7.477 7.477 640 HE1 PHE 80 HE2 PHE 80 6.613 2.792 2.792 641 HE2 PHE 80 HE1 PHE 80 8.102 5.664 5.664 642 HZ PHE 80 HZ PHE 80 7.808 3.321 3.321 643 H ALA 81 H ALA 81 5.919 7.241 7.241 644 HA ALA 81 HA ALA 81 5.018 8.451 8.451 645 1HB ALA 81 2HB ALA 81 6.643 10.297 10.297 646 2HB ALA 81 1HB ALA 81 5.079 11.066 11.066 647 3HB ALA 81 3HB ALA 81 5.572 10.625 10.625 648 H CYS 82 H CYS 82 3.583 7.359 7.359 649 HA CYS 82 HA CYS 82 1.260 9.135 9.135 650 1HB CYS 82 2HB CYS 82 1.741 6.579 6.579 651 2HB CYS 82 1HB CYS 82 0.556 7.832 7.832 652 HG CYS 82 HG CYS 82 3.575 8.491 8.491 653 H ASN 83 H ASN 83 -0.850 7.632 7.632 654 HA ASN 83 HA ASN 83 -0.958 6.044 6.044 655 1HB ASN 83 2HB ASN 83 -2.703 8.047 8.047 656 2HB ASN 83 1HB ASN 83 -3.581 6.538 6.538 657 1HD2 ASN 83 2HD2 ASN 83 -1.734 7.902 7.902 658 2HD2 ASN 83 1HD2 ASN 83 -0.867 7.736 7.736 659 H GLY 84 H GLY 84 -0.593 3.989 3.989 660 1HA GLY 84 2HA GLY 84 -1.954 2.864 2.864 661 2HA GLY 84 1HA GLY 84 -0.519 2.188 2.188 662 H THR 85 H THR 85 -3.397 1.257 1.257 663 HA THR 85 HA THR 85 -3.713 -0.129 -0.129 664 HB THR 85 HB THR 85 -6.157 0.224 0.224 665 HG1 THR 85 HG1 THR 85 -7.077 1.178 1.178 666 1HG2 THR 85 1HG2 THR 85 -4.591 2.791 2.791 667 2HG2 THR 85 3HG2 THR 85 -6.217 2.580 2.580 668 3HG2 THR 85 2HG2 THR 85 -4.856 1.735 1.735 669 H VAL 86 H VAL 86 -3.862 -2.235 -2.235 670 HA VAL 86 HA VAL 86 -4.319 -3.300 -3.300 671 HB VAL 86 HB VAL 86 -2.559 -4.268 -4.268 672 1HG1 VAL 86 2HG1 VAL 86 -4.284 -3.996 -3.996 673 2HG1 VAL 86 1HG1 VAL 86 -4.423 -5.722 -5.722 674 3HG1 VAL 86 3HG1 VAL 86 -2.847 -5.018 -5.018 675 1HG2 VAL 86 1HG2 VAL 86 -4.267 -5.604 -5.604 676 2HG2 VAL 86 3HG2 VAL 86 -2.846 -6.329 -6.329 677 3HG2 VAL 86 2HG2 VAL 86 -4.435 -6.530 -6.530 678 H ILE 87 H ILE 87 -6.355 -3.542 -3.542 679 HA ILE 87 HA ILE 87 -8.342 -4.624 -4.624 680 HB ILE 87 HB ILE 87 -10.088 -3.336 -3.336 681 1HG1 ILE 87 2HG1 ILE 87 -8.491 -1.352 -1.352 682 2HG1 ILE 87 1HG1 ILE 87 -8.048 -2.932 -2.932 683 1HG2 ILE 87 1HG2 ILE 87 -7.789 -1.798 -1.798 684 2HG2 ILE 87 3HG2 ILE 87 -9.335 -1.048 -1.048 685 3HG2 ILE 87 2HG2 ILE 87 -9.264 -2.343 -2.343 686 1HD1 ILE 87 2HD1 ILE 87 -10.604 -3.270 -3.270 687 2HD1 ILE 87 1HD1 ILE 87 -10.668 -1.512 -1.512 688 3HD1 ILE 87 3HD1 ILE 87 -9.746 -2.274 -2.274 689 H GLU 88 H GLU 88 -9.990 -5.946 -5.946 690 HA GLU 88 HA GLU 88 -9.128 -7.334 -7.334 691 1HB GLU 88 2HB GLU 88 -9.613 -8.522 -8.522 692 2HB GLU 88 1HB GLU 88 -11.309 -8.245 -8.245 693 1HG GLU 88 2HG GLU 88 -11.281 -9.673 -9.673 694 2HG GLU 88 1HG GLU 88 -9.531 -9.565 -9.565 695 H HIS 89 H HIS 89 -9.953 -5.360 -5.360 696 HA HIS 89 HA HIS 89 -12.557 -4.520 -4.520 697 1HB HIS 89 2HB HIS 89 -10.347 -3.842 -3.842 698 2HB HIS 89 1HB HIS 89 -11.108 -4.814 -4.814 699 HD1 HIS 89 HD1 HIS 89 -12.856 -3.691 -3.691 700 HD2 HIS 89 HD2 HIS 89 -12.026 -1.613 -1.613 701 HE1 HIS 89 HE1 HIS 89 -14.151 -1.542 -1.542 702 HE2 HIS 89 HE2 HIS 89 -13.564 -0.261 -0.261 703 HA PRO 90 HA PRO 90 -14.720 -8.076 -8.076 704 1HB PRO 90 2HB PRO 90 -17.127 -6.942 -6.942 705 2HB PRO 90 1HB PRO 90 -16.496 -7.259 -7.259 706 1HG PRO 90 2HG PRO 90 -16.538 -4.698 -4.698 707 2HG PRO 90 1HG PRO 90 -16.910 -4.976 -4.976 708 1HD PRO 90 2HD PRO 90 -14.510 -4.018 -4.018 709 2HD PRO 90 1HD PRO 90 -14.699 -4.956 -4.956 710 H GLU 91 H GLU 91 -14.258 -5.116 -5.116 711 HA GLU 91 HA GLU 91 -15.427 -6.095 -6.095 712 1HB GLU 91 2HB GLU 91 -14.657 -3.553 -3.553 713 2HB GLU 91 1HB GLU 91 -13.856 -3.788 -3.788 714 1HG GLU 91 2HG GLU 91 -16.777 -4.331 -4.331 715 2HG GLU 91 1HG GLU 91 -16.196 -2.673 -2.673 716 H TYR 92 H TYR 92 -12.310 -5.933 -5.933 717 HA TYR 92 HA TYR 92 -11.066 -6.943 -6.943 718 1HB TYR 92 2HB TYR 92 -9.465 -5.790 -5.790 719 2HB TYR 92 1HB TYR 92 -9.061 -5.891 -5.891 720 HD1 TYR 92 HD1 TYR 92 -11.681 -4.736 -4.736 721 HD2 TYR 92 HD2 TYR 92 -9.060 -3.477 -3.477 722 HE1 TYR 92 HE1 TYR 92 -12.436 -2.418 -2.418 723 HE2 TYR 92 HE2 TYR 92 -9.808 -1.154 -1.154 724 HH TYR 92 HH TYR 92 -12.121 -0.079 -0.079 725 H GLY 93 H GLY 93 -10.807 -7.158 -7.158 726 1HA GLY 93 2HA GLY 93 -10.926 -9.250 -9.250 727 2HA GLY 93 1HA GLY 93 -10.354 -10.048 -10.048 728 H GLU 94 H GLU 94 -9.475 -8.472 -8.472 729 HA GLU 94 HA GLU 94 -7.511 -8.299 -8.299 730 1HB GLU 94 2HB GLU 94 -7.480 -10.776 -10.776 731 2HB GLU 94 1HB GLU 94 -6.114 -10.142 -10.142 732 1HG GLU 94 2HG GLU 94 -4.858 -9.757 -9.757 733 2HG GLU 94 1HG GLU 94 -6.273 -9.789 -9.789 734 H VAL 95 H VAL 95 -7.252 -6.127 -6.127 735 HA VAL 95 HA VAL 95 -4.922 -5.792 -5.792 736 HB VAL 95 HB VAL 95 -5.949 -3.816 -3.816 737 1HG1 VAL 95 1HG1 VAL 95 -6.032 -6.219 -6.219 738 2HG1 VAL 95 3HG1 VAL 95 -7.745 -6.164 -6.164 739 3HG1 VAL 95 2HG1 VAL 95 -7.081 -5.008 -5.008 740 1HG2 VAL 95 1HG2 VAL 95 -7.766 -3.869 -3.869 741 2HG2 VAL 95 3HG2 VAL 95 -8.007 -3.026 -3.026 742 3HG2 VAL 95 2HG2 VAL 95 -8.686 -4.636 -4.636 743 H ILE 96 H ILE 96 -3.569 -4.116 -4.116 744 HA ILE 96 HA ILE 96 -3.940 -3.066 -3.066 745 HB ILE 96 HB ILE 96 -1.704 -3.191 -3.191 746 1HG1 ILE 96 2HG1 ILE 96 -2.220 -4.620 -4.620 747 2HG1 ILE 96 1HG1 ILE 96 -0.559 -4.135 -4.135 748 1HG2 ILE 96 2HG2 ILE 96 -2.069 -0.888 -0.888 749 2HG2 ILE 96 1HG2 ILE 96 -0.454 -1.506 -1.506 750 3HG2 ILE 96 3HG2 ILE 96 -1.465 -0.899 -0.899 751 1HD1 ILE 96 1HD1 ILE 96 -0.796 -2.301 -2.301 752 2HD1 ILE 96 3HD1 ILE 96 -2.449 -2.817 -2.817 753 3HD1 ILE 96 2HD1 ILE 96 -1.096 -3.873 -3.873 754 H GLN 97 H GLN 97 -4.762 -1.146 -1.146 755 HA GLN 97 HA GLN 97 -5.336 0.724 0.724 756 1HB GLN 97 2HB GLN 97 -6.877 -0.244 -0.244 757 2HB GLN 97 1HB GLN 97 -6.684 1.495 1.495 758 1HG GLN 97 2HG GLN 97 -7.491 1.755 1.755 759 2HG GLN 97 1HG GLN 97 -7.840 0.026 0.026 760 1HE2 GLN 97 2HE2 GLN 97 -10.012 2.343 2.343 761 2HE2 GLN 97 1HE2 GLN 97 -8.324 2.630 2.630 762 H LEU 98 H LEU 98 -3.898 2.283 2.283 763 HA LEU 98 HA LEU 98 -2.549 3.362 3.362 764 1HB LEU 98 2HB LEU 98 -1.947 3.165 3.165 765 2HB LEU 98 1HB LEU 98 -1.574 4.734 4.734 766 HG LEU 98 HG LEU 98 0.015 3.838 3.838 767 1HD1 LEU 98 2HD1 LEU 98 -1.525 1.369 1.369 768 2HD1 LEU 98 1HD1 LEU 98 0.222 1.143 1.143 769 3HD1 LEU 98 3HD1 LEU 98 -0.622 1.970 1.970 770 1HD2 LEU 98 3HD2 LEU 98 0.158 2.457 2.457 771 2HD2 LEU 98 2HD2 LEU 98 0.915 3.976 3.976 772 3HD2 LEU 98 1HD2 LEU 98 1.479 2.455 2.455 773 H GLN 99 H GLN 99 -2.289 5.788 5.788 774 HA GLN 99 HA GLN 99 -4.871 7.024 7.024 775 1HB GLN 99 2HB GLN 99 -3.060 7.233 7.233 776 2HB GLN 99 1HB GLN 99 -3.652 8.782 8.782 777 1HG GLN 99 2HG GLN 99 -5.507 6.497 6.497 778 2HG GLN 99 1HG GLN 99 -4.984 7.607 7.607 779 1HE2 GLN 99 2HE2 GLN 99 -8.165 8.592 8.592 780 2HE2 GLN 99 1HE2 GLN 99 -7.580 7.017 7.017 781 H GLY 100 H GLY 100 -4.987 8.871 8.871 782 1HA GLY 100 2HA GLY 100 -4.271 10.687 10.687 783 2HA GLY 100 1HA GLY 100 -2.655 10.448 10.448 784 H ASP 101 H ASP 101 -2.502 11.113 11.113 785 HA ASP 101 HA ASP 101 -2.810 8.909 8.909 786 1HB ASP 101 2HB ASP 101 -1.705 10.418 10.418 787 2HB ASP 101 1HB ASP 101 -3.092 11.163 11.163 788 H GLN 102 H GLN 102 -1.546 7.299 7.299 789 HA GLN 102 HA GLN 102 1.349 7.756 7.756 790 1HB GLN 102 2HB GLN 102 -0.510 6.036 6.036 791 2HB GLN 102 1HB GLN 102 1.028 5.295 5.295 792 1HG GLN 102 2HG GLN 102 0.861 6.460 6.460 793 2HG GLN 102 1HG GLN 102 2.249 6.857 6.857 794 1HE2 GLN 102 2HE2 GLN 102 -0.718 9.664 9.664 795 2HE2 GLN 102 1HE2 GLN 102 -1.073 7.993 7.993 796 H ARG 103 H ARG 103 -0.707 6.887 6.887 797 HA ARG 103 HA ARG 103 -0.134 4.359 4.359 798 1HB ARG 103 2HB ARG 103 -0.546 5.248 5.248 799 2HB ARG 103 1HB ARG 103 -1.775 5.701 5.701 800 1HG ARG 103 2HG ARG 103 -0.669 7.903 7.903 801 2HG ARG 103 1HG ARG 103 0.452 7.437 7.437 802 1HD ARG 103 2HD ARG 103 -2.427 7.134 7.134 803 2HD ARG 103 1HD ARG 103 -1.828 8.786 8.786 804 HE ARG 103 HE ARG 103 -1.248 6.904 6.904 805 1HH1 ARG 103 2HH1 ARG 103 -0.201 9.803 9.803 806 2HH1 ARG 103 1HH1 ARG 103 0.733 10.373 10.373 807 1HH2 ARG 103 1HH2 ARG 103 -0.018 7.652 7.652 808 2HH2 ARG 103 2HH2 ARG 103 0.839 9.152 9.152 809 H LYS 104 H LYS 104 1.911 7.169 7.169 810 HA LYS 104 HA LYS 104 3.901 5.821 5.821 811 1HB LYS 104 2HB LYS 104 3.707 8.639 8.639 812 2HB LYS 104 1HB LYS 104 5.121 8.030 8.030 813 1HG LYS 104 2HG LYS 104 4.096 8.060 8.060 814 2HG LYS 104 1HG LYS 104 2.510 7.681 7.681 815 1HD LYS 104 2HD LYS 104 2.551 9.947 9.947 816 2HD LYS 104 1HD LYS 104 2.329 9.970 9.970 817 1HE LYS 104 2HE LYS 104 4.065 11.349 11.349 818 2HE LYS 104 1HE LYS 104 5.100 10.041 10.041 819 1HZ LYS 104 3HZ LYS 104 4.096 10.923 10.923 820 2HZ LYS 104 2HZ LYS 104 4.112 12.367 12.367 821 3HZ LYS 104 1HZ LYS 104 5.543 11.492 11.492 822 H ASN 105 H ASN 105 3.197 6.553 6.553 823 HA ASN 105 HA ASN 105 5.932 6.197 6.197 824 1HB ASN 105 2HB ASN 105 3.347 6.946 6.946 825 2HB ASN 105 1HB ASN 105 4.555 6.183 6.183 826 1HD2 ASN 105 2HD2 ASN 105 4.858 10.036 10.036 827 2HD2 ASN 105 1HD2 ASN 105 3.482 9.054 9.054 828 H ILE 106 H ILE 106 2.915 4.361 4.361 829 HA ILE 106 HA ILE 106 3.816 2.244 2.244 830 HB ILE 106 HB ILE 106 1.432 2.630 2.630 831 1HG1 ILE 106 2HG1 ILE 106 0.805 0.263 0.263 832 2HG1 ILE 106 1HG1 ILE 106 2.431 -0.095 -0.095 833 1HG2 ILE 106 3HG2 ILE 106 1.694 3.200 3.200 834 2HG2 ILE 106 2HG2 ILE 106 1.988 1.496 1.496 835 3HG2 ILE 106 1HG2 ILE 106 0.429 2.009 2.009 836 1HD1 ILE 106 2HD1 ILE 106 3.328 0.567 0.567 837 2HD1 ILE 106 1HD1 ILE 106 1.683 0.865 0.865 838 3HD1 ILE 106 3HD1 ILE 106 2.179 -0.766 -0.766 839 H CYS 107 H CYS 107 3.718 2.621 2.621 840 HA CYS 107 HA CYS 107 4.741 0.120 0.120 841 1HB CYS 107 2HB CYS 107 5.494 1.193 1.193 842 2HB CYS 107 1HB CYS 107 3.855 1.674 1.674 843 HG CYS 107 HG CYS 107 4.656 4.019 4.019 844 H GLN 108 H GLN 108 6.277 2.998 2.998 845 HA GLN 108 HA GLN 108 8.978 2.246 2.246 846 1HB GLN 108 2HB GLN 108 7.586 4.304 4.304 847 2HB GLN 108 1HB GLN 108 9.255 3.931 3.931 848 1HG GLN 108 2HG GLN 108 8.720 4.418 4.418 849 2HG GLN 108 1HG GLN 108 8.498 5.799 5.799 850 1HE2 GLN 108 2HE2 GLN 108 12.214 4.128 4.128 851 2HE2 GLN 108 1HE2 GLN 108 10.791 3.160 3.160 852 H PHE 109 H PHE 109 6.856 2.085 2.085 853 HA PHE 109 HA PHE 109 8.627 0.988 0.988 854 1HB PHE 109 2HB PHE 109 6.402 1.943 1.943 855 2HB PHE 109 1HB PHE 109 5.643 0.543 0.543 856 HD1 PHE 109 HD2 PHE 109 8.152 1.359 1.359 857 HD2 PHE 109 HD1 PHE 109 4.981 -1.169 -1.169 858 HE1 PHE 109 HE2 PHE 109 8.216 0.190 0.190 859 HE2 PHE 109 HE1 PHE 109 5.040 -2.344 -2.344 860 HZ PHE 109 HZ PHE 109 6.659 -1.662 -1.662 861 H LEU 110 H LEU 110 6.176 -0.710 -0.710 862 HA LEU 110 HA LEU 110 6.820 -3.302 -3.302 863 1HB LEU 110 2HB LEU 110 5.626 -2.110 -2.110 864 2HB LEU 110 1HB LEU 110 5.965 -3.829 -3.829 865 HG LEU 110 HG LEU 110 4.426 -4.148 -4.148 866 1HD1 LEU 110 1HD1 LEU 110 4.962 -2.075 -2.075 867 2HD1 LEU 110 3HD1 LEU 110 4.028 -1.161 -1.161 868 3HD1 LEU 110 2HD1 LEU 110 3.226 -2.345 -2.345 869 1HD2 LEU 110 1HD2 LEU 110 3.528 -3.912 -3.912 870 2HD2 LEU 110 3HD2 LEU 110 2.363 -3.593 -3.593 871 3HD2 LEU 110 2HD2 LEU 110 3.097 -2.251 -2.251 872 H VAL 111 H VAL 111 8.454 -1.132 -1.132 873 HA VAL 111 HA VAL 111 10.165 -3.248 -3.248 874 HB VAL 111 HB VAL 111 10.154 -0.281 -0.281 875 1HG1 VAL 111 1HG1 VAL 111 11.699 -2.561 -2.561 876 2HG1 VAL 111 3HG1 VAL 111 11.507 -0.992 -0.992 877 3HG1 VAL 111 2HG1 VAL 111 12.337 -1.107 -1.107 878 1HG2 VAL 111 2HG2 VAL 111 8.182 -1.889 -1.889 879 2HG2 VAL 111 1HG2 VAL 111 8.795 -0.658 -0.658 880 3HG2 VAL 111 3HG2 VAL 111 9.309 -2.335 -2.335 881 H GLU 112 H GLU 112 10.184 -0.719 -0.719 882 HA GLU 112 HA GLU 112 13.043 -0.622 -0.622 883 1HB GLU 112 2HB GLU 112 10.772 0.497 0.497 884 2HB GLU 112 1HB GLU 112 12.460 0.693 0.693 885 1HG GLU 112 2HG GLU 112 11.913 1.453 1.453 886 2HG GLU 112 1HG GLU 112 11.010 2.397 2.397 887 H ILE 113 H ILE 113 10.354 -1.976 -1.976 888 HA ILE 113 HA ILE 113 12.170 -3.261 -3.261 889 HB ILE 113 HB ILE 113 10.259 -3.979 -3.979 890 1HG1 ILE 113 2HG1 ILE 113 8.599 -3.230 -3.230 891 2HG1 ILE 113 1HG1 ILE 113 8.963 -4.869 -4.869 892 1HG2 ILE 113 2HG2 ILE 113 10.798 -1.492 -1.492 893 2HG2 ILE 113 1HG2 ILE 113 9.374 -1.336 -1.336 894 3HG2 ILE 113 3HG2 ILE 113 9.210 -1.948 -1.948 895 1HD1 ILE 113 2HD1 ILE 113 7.732 -3.233 -3.233 896 2HD1 ILE 113 1HD1 ILE 113 6.726 -3.457 -3.457 897 3HD1 ILE 113 3HD1 ILE 113 7.336 -4.859 -4.859 898 H GLY 114 H GLY 114 11.284 -3.975 -3.975 899 1HA GLY 114 2HA GLY 114 11.555 -5.890 -5.890 900 2HA GLY 114 1HA GLY 114 12.164 -6.684 -6.684 901 H LEU 115 H LEU 115 9.054 -5.112 -5.112 902 HA LEU 115 HA LEU 115 7.720 -7.483 -7.483 903 1HB LEU 115 2HB LEU 115 7.216 -4.833 -4.833 904 2HB LEU 115 1HB LEU 115 6.101 -5.239 -5.239 905 HG LEU 115 HG LEU 115 4.973 -6.834 -6.834 906 1HD1 LEU 115 2HD1 LEU 115 7.375 -6.557 -6.557 907 2HD1 LEU 115 1HD1 LEU 115 5.841 -6.739 -6.739 908 3HD1 LEU 115 3HD1 LEU 115 6.358 -7.963 -7.963 909 1HD2 LEU 115 1HD2 LEU 115 4.864 -4.164 -4.164 910 2HD2 LEU 115 3HD2 LEU 115 3.799 -5.326 -5.326 911 3HD2 LEU 115 2HD2 LEU 115 5.226 -4.719 -4.719 912 H ALA 116 H ALA 116 6.902 -5.413 -5.413 913 HA ALA 116 HA ALA 116 5.863 -7.764 -7.764 914 1HB ALA 116 3HB ALA 116 4.555 -5.615 -5.615 915 2HB ALA 116 2HB ALA 116 5.709 -4.908 -4.908 916 3HB ALA 116 1HB ALA 116 4.711 -6.273 -6.273 917 H LYS 117 H LYS 117 6.138 -7.119 -7.119 918 HA LYS 117 HA LYS 117 9.049 -6.943 -6.943 919 1HB LYS 117 2HB LYS 117 7.081 -8.948 -8.948 920 2HB LYS 117 1HB LYS 117 8.503 -8.546 -8.546 921 1HG LYS 117 2HG LYS 117 9.060 -9.155 -9.155 922 2HG LYS 117 1HG LYS 117 8.390 -10.497 -10.497 923 1HD LYS 117 2HD LYS 117 10.730 -10.672 -10.672 924 2HD LYS 117 1HD LYS 117 10.155 -9.976 -9.976 925 1HE LYS 117 2HE LYS 117 11.154 -7.980 -7.980 926 2HE LYS 117 1HE LYS 117 10.879 -8.056 -8.056 927 1HZ LYS 117 2HZ LYS 117 12.951 -9.591 -9.591 928 2HZ LYS 117 1HZ LYS 117 13.233 -8.198 -8.198 929 3HZ LYS 117 3HZ LYS 117 12.702 -9.617 -9.617 930 H ASP 118 H ASP 118 9.708 -6.141 -6.141 931 HA ASP 118 HA ASP 118 8.312 -3.894 -3.894 932 1HB ASP 118 2HB ASP 118 9.831 -4.084 -4.084 933 2HB ASP 118 1HB ASP 118 10.599 -3.898 -3.898 934 H ASP 119 H ASP 119 7.978 -7.207 -7.207 935 HA ASP 119 HA ASP 119 6.542 -6.689 -6.689 936 1HB ASP 119 2HB ASP 119 7.306 -9.082 -9.082 937 2HB ASP 119 1HB ASP 119 5.853 -9.229 -9.229 938 H GLN 120 H GLN 120 5.844 -6.862 -6.862 939 HA GLN 120 HA GLN 120 2.958 -6.943 -6.943 940 1HB GLN 120 2HB GLN 120 4.326 -7.213 -7.213 941 2HB GLN 120 1HB GLN 120 2.660 -7.605 -7.605 942 1HG GLN 120 2HG GLN 120 3.662 -9.334 -9.334 943 2HG GLN 120 1HG GLN 120 5.159 -9.089 -9.089 944 1HE2 GLN 120 2HE2 GLN 120 3.235 -10.137 -10.137 945 2HE2 GLN 120 1HE2 GLN 120 3.829 -8.614 -8.614 946 H LEU 121 H LEU 121 5.100 -4.644 -4.644 947 HA LEU 121 HA LEU 121 4.078 -2.867 -2.867 948 1HB LEU 121 2HB LEU 121 6.160 -2.686 -2.686 949 2HB LEU 121 1HB LEU 121 5.521 -1.201 -1.201 950 HG LEU 121 HG LEU 121 6.785 -3.409 -3.409 951 1HD1 LEU 121 1HD1 LEU 121 8.063 -1.607 -1.607 952 2HD1 LEU 121 3HD1 LEU 121 8.217 -0.895 -0.895 953 3HD1 LEU 121 2HD1 LEU 121 8.800 -2.534 -2.534 954 1HD2 LEU 121 3HD2 LEU 121 5.058 -1.464 -1.464 955 2HD2 LEU 121 2HD2 LEU 121 6.263 -2.259 -2.259 956 3HD2 LEU 121 1HD2 LEU 121 6.628 -0.705 -0.705 957 H LYS 122 H LYS 122 1.907 -3.511 -3.511 958 HA LYS 122 HA LYS 122 1.082 -2.386 -2.386 959 1HB LYS 122 2HB LYS 122 -0.195 -3.360 -3.360 960 2HB LYS 122 1HB LYS 122 -1.145 -2.135 -2.135 961 1HG LYS 122 2HG LYS 122 -0.052 -4.664 -4.664 962 2HG LYS 122 1HG LYS 122 -1.739 -4.357 -4.357 963 1HD LYS 122 2HD LYS 122 -2.030 -3.555 -3.555 964 2HD LYS 122 1HD LYS 122 -0.990 -2.203 -2.203 965 1HE LYS 122 2HE LYS 122 0.909 -3.196 -3.196 966 2HE LYS 122 1HE LYS 122 0.161 -4.790 -4.790 967 1HZ LYS 122 2HZ LYS 122 -1.482 -3.491 -3.491 968 2HZ LYS 122 1HZ LYS 122 -0.102 -2.548 -2.548 969 3HZ LYS 122 3HZ LYS 122 -0.063 -4.211 -4.211 970 H VAL 123 H VAL 123 0.145 -0.865 -0.865 971 HA VAL 123 HA VAL 123 -0.418 1.254 1.254 972 HB VAL 123 HB VAL 123 1.763 1.625 1.625 973 1HG1 VAL 123 2HG1 VAL 123 2.679 0.171 0.171 974 2HG1 VAL 123 1HG1 VAL 123 2.548 1.488 1.488 975 3HG1 VAL 123 3HG1 VAL 123 3.635 1.638 1.638 976 1HG2 VAL 123 3HG2 VAL 123 0.513 3.713 3.713 977 2HG2 VAL 123 2HG2 VAL 123 2.188 3.818 3.818 978 3HG2 VAL 123 1HG2 VAL 123 1.829 3.627 3.627 979 H HIS 124 H HIS 124 -2.162 2.052 2.052 980 HA HIS 124 HA HIS 124 -1.938 3.239 3.239 981 1HB HIS 124 2HB HIS 124 -4.491 2.246 2.246 982 2HB HIS 124 1HB HIS 124 -4.216 2.679 2.679 983 HD1 HIS 124 HD1 HIS 124 -3.733 0.782 0.782 984 HD2 HIS 124 HD2 HIS 124 -2.917 -0.154 -0.154 985 HE1 HIS 124 HE1 HIS 124 -3.065 -1.643 -1.643 986 HE2 HIS 124 HE2 HIS 124 -2.694 -2.209 -2.209 987 H GLY 125 H GLY 125 -4.155 3.456 3.456 988 1HA GLY 125 2HA GLY 125 -4.109 5.530 5.530 989 2HA GLY 125 1HA GLY 125 -3.910 6.395 6.395 990 H PHE 126 HN PHE 126 -5.709 7.537 7.537 991 HA PHE 126 HA PHE 126 -8.186 6.188 6.188 992 1HB PHE 126 2HB PHE 126 -9.520 7.151 7.151 993 2HB PHE 126 1HB PHE 126 -8.126 6.413 6.413 994 HD1 PHE 126 HD1 PHE 126 -6.030 8.213 8.213 995 HD2 PHE 126 HD2 PHE 126 -10.187 9.105 9.105 996 HE1 PHE 126 HE1 PHE 126 -5.524 10.350 10.350 997 HE2 PHE 126 HE2 PHE 126 -9.690 11.244 11.244 998 HZ PHE 126 HZ PHE 126 -7.354 11.870 11.870
Contact the webmaster for help, if required. Saturday, May 18, 2024 11:34:05 AM GMT (wattos1)