NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21229 | 2hcc | 4314 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H HIS 1 HT2 HIS 1 11.208 -36.390 -36.390 2 2H HIS 1 HT1 HIS 1 12.228 -37.405 -37.405 3 3H HIS 1 HT3 HIS 1 10.838 -36.748 -36.748 4 HA HIS 1 HA HIS 1 10.469 -39.078 -39.078 5 1HB HIS 1 HB2 HIS 1 12.074 -38.247 -38.247 6 2HB HIS 1 HB1 HIS 1 10.514 -38.659 -38.659 7 HD1 HIS 1 HD1 HIS 1 11.315 -40.891 -40.891 8 HD2 HIS 1 HD2 HIS 1 11.868 -40.669 -40.669 9 HE1 HIS 1 HE1 HIS 1 11.905 -43.230 -43.230 10 H PHE 2 HN PHE 2 8.797 -37.024 -37.024 11 HA PHE 2 HA PHE 2 6.553 -37.297 -37.297 12 1HB PHE 2 HB2 PHE 2 6.082 -34.930 -34.930 13 2HB PHE 2 HB1 PHE 2 7.784 -35.099 -35.099 14 HD1 PHE 2 HD1 PHE 2 9.514 -35.154 -35.154 15 HD2 PHE 2 HD2 PHE 2 5.443 -33.915 -33.915 16 HE1 PHE 2 HE1 PHE 2 10.160 -34.021 -34.021 17 HE2 PHE 2 HE2 PHE 2 6.089 -32.781 -32.781 18 HZ PHE 2 HZ PHE 2 8.448 -32.834 -32.834 19 H ALA 3 HN ALA 3 4.593 -36.004 -36.004 20 HA ALA 3 HA ALA 3 4.578 -37.140 -37.140 21 1HB ALA 3 HB3 ALA 3 3.535 -38.520 -38.520 22 2HB ALA 3 HB2 ALA 3 2.160 -37.465 -37.465 23 3HB ALA 3 HB1 ALA 3 2.780 -38.522 -38.522 24 H ALA 4 HN ALA 4 2.155 -36.466 -36.466 25 HA ALA 4 HA ALA 4 2.186 -33.640 -33.640 26 1HB ALA 4 HB1 ALA 4 0.162 -35.842 -35.842 27 2HB ALA 4 HB3 ALA 4 -0.223 -34.169 -34.169 28 3HB ALA 4 HB2 ALA 4 1.111 -34.987 -34.987 29 H ASP 5 HN ASP 5 1.396 -32.013 -32.013 30 HA ASP 5 HA ASP 5 -0.038 -32.759 -32.759 31 1HB ASP 5 HB2 ASP 5 1.282 -30.240 -30.240 32 2HB ASP 5 HB1 ASP 5 0.458 -30.317 -30.317 33 H CYS 6 HN CYS 6 -1.990 -31.548 -31.548 34 HA CYS 6 HA CYS 6 -3.428 -30.153 -30.153 35 1HB CYS 6 HB2 CYS 6 -4.341 -32.650 -32.650 36 2HB CYS 6 HB1 CYS 6 -5.396 -31.672 -31.672 37 H CYS 7 HN CYS 7 -5.114 -28.767 -28.767 38 HA CYS 7 HA CYS 7 -4.788 -28.066 -28.066 39 1HB CYS 7 HB2 CYS 7 -5.727 -26.847 -26.847 40 2HB CYS 7 HB1 CYS 7 -6.618 -26.348 -26.348 41 H THR 8 HN THR 8 -6.367 -28.413 -28.413 42 HA THR 8 HA THR 8 -8.779 -29.961 -29.961 43 HB THR 8 HB THR 8 -7.149 -30.763 -30.763 44 HG1 THR 8 HG1 THR 8 -9.483 -30.306 -30.306 45 1HG2 THR 8 HG22 THR 8 -6.948 -28.284 -28.284 46 2HG2 THR 8 HG21 THR 8 -8.347 -28.711 -28.711 47 3HG2 THR 8 HG23 THR 8 -6.840 -29.613 -29.613 48 H SER 9 HN SER 9 -7.771 -26.842 -26.842 49 HA SER 9 HA SER 9 -10.439 -25.731 -25.731 50 1HB SER 9 HB2 SER 9 -10.620 -25.108 -25.108 51 2HB SER 9 HB1 SER 9 -10.487 -26.859 -26.859 52 HG SER 9 HG SER 9 -9.092 -25.948 -25.948 53 H TYR 10 HN TYR 10 -10.268 -23.463 -23.463 54 HA TYR 10 HA TYR 10 -7.510 -22.425 -22.425 55 1HB TYR 10 HB2 TYR 10 -10.227 -21.234 -21.234 56 2HB TYR 10 HB1 TYR 10 -8.669 -20.586 -20.586 57 HD1 TYR 10 HD1 TYR 10 -7.072 -22.461 -22.461 58 HD2 TYR 10 HD2 TYR 10 -11.364 -22.573 -22.573 59 HE1 TYR 10 HE1 TYR 10 -7.073 -23.997 -23.997 60 HE2 TYR 10 HE2 TYR 10 -11.367 -24.109 -24.109 61 HH TYR 10 HH TYR 10 -9.503 -25.874 -25.874 62 H ILE 11 HN ILE 11 -6.960 -20.307 -20.307 63 HA ILE 11 HA ILE 11 -7.398 -20.130 -20.130 64 HB ILE 11 HB ILE 11 -6.189 -18.093 -18.093 65 1HG1 ILE 11 HG12 ILE 11 -7.873 -16.994 -16.994 66 2HG1 ILE 11 HG11 ILE 11 -6.203 -16.648 -16.648 67 1HG2 ILE 11 HG21 ILE 11 -5.348 -20.291 -20.291 68 2HG2 ILE 11 HG23 ILE 11 -5.203 -18.993 -18.993 69 3HG2 ILE 11 HG22 ILE 11 -4.360 -18.873 -18.873 70 1HD1 ILE 11 HD11 ILE 11 -6.353 -18.602 -18.602 71 2HD1 ILE 11 HD13 ILE 11 -8.089 -18.623 -18.623 72 3HD1 ILE 11 HD12 ILE 11 -7.344 -17.202 -17.202 73 H SER 12 HN SER 12 -8.532 -18.242 -18.242 74 HA SER 12 HA SER 12 -11.247 -17.913 -17.913 75 1HB SER 12 HB2 SER 12 -11.226 -16.912 -16.912 76 2HB SER 12 HB1 SER 12 -11.700 -18.544 -18.544 77 HG SER 12 HG SER 12 -10.004 -18.360 -18.360 78 H GLN 13 HN GLN 13 -8.396 -16.229 -16.229 79 HA GLN 13 HA GLN 13 -9.819 -13.639 -13.639 80 1HB GLN 13 HB2 GLN 13 -8.345 -12.538 -12.538 81 2HB GLN 13 HB1 GLN 13 -9.014 -13.952 -13.952 82 1HG GLN 13 HG2 GLN 13 -6.965 -15.232 -15.232 83 2HG GLN 13 HG1 GLN 13 -6.294 -13.776 -13.776 84 1HE2 GLN 13 HE21 GLN 13 -4.553 -14.121 -14.121 85 2HE2 GLN 13 HE22 GLN 13 -4.849 -13.480 -13.480 86 H SER 14 HN SER 14 -7.828 -11.975 -11.975 87 HA SER 14 HA SER 14 -6.877 -12.647 -12.647 88 1HB SER 14 HB2 SER 14 -5.057 -10.852 -10.852 89 2HB SER 14 HB1 SER 14 -6.738 -10.394 -10.394 90 HG SER 14 HG SER 14 -5.532 -9.943 -9.943 91 H ILE 15 HN ILE 15 -4.853 -13.455 -13.455 92 HA ILE 15 HA ILE 15 -3.574 -15.472 -15.472 93 HB ILE 15 HB ILE 15 -3.180 -14.198 -14.198 94 1HG1 ILE 15 HG12 ILE 15 -4.953 -15.939 -15.939 95 2HG1 ILE 15 HG11 ILE 15 -3.834 -16.365 -16.365 96 1HG2 ILE 15 HG22 ILE 15 -0.920 -14.790 -14.790 97 2HG2 ILE 15 HG21 ILE 15 -1.437 -16.467 -16.467 98 3HG2 ILE 15 HG23 ILE 15 -1.247 -15.483 -15.483 99 1HD1 ILE 15 HD11 ILE 15 -3.394 -17.219 -17.219 100 2HD1 ILE 15 HD13 ILE 15 -4.310 -18.198 -18.198 101 3HD1 ILE 15 HD12 ILE 15 -2.608 -17.846 -17.846 102 HA PRO 16 HA PRO 16 -0.575 -12.774 -12.774 103 1HB PRO 16 HB2 PRO 16 1.056 -14.699 -14.699 104 2HB PRO 16 HB1 PRO 16 -0.533 -14.321 -14.321 105 1HG PRO 16 HG2 PRO 16 0.308 -16.596 -16.596 106 2HG PRO 16 HG1 PRO 16 -0.907 -16.536 -16.536 107 1HD PRO 16 HD2 PRO 16 -1.427 -16.488 -16.488 108 2HD PRO 16 HD1 PRO 16 -2.560 -16.001 -16.001 109 H CYS 17 HN CYS 17 -0.099 -12.645 -12.645 110 HA CYS 17 HA CYS 17 2.179 -13.992 -13.992 111 1HB CYS 17 HB2 CYS 17 1.169 -11.207 -11.207 112 2HB CYS 17 HB1 CYS 17 1.979 -12.331 -12.331 113 H SER 18 HN SER 18 1.888 -11.298 -11.298 114 HA SER 18 HA SER 18 4.460 -10.088 -10.088 115 1HB SER 18 HB2 SER 18 2.163 -9.880 -9.880 116 2HB SER 18 HB1 SER 18 3.653 -9.694 -9.694 117 HG SER 18 HG SER 18 2.612 -7.800 -7.800 118 H LEU 19 HN LEU 19 3.909 -13.195 -13.195 119 HA LEU 19 HA LEU 19 6.492 -13.201 -13.201 120 1HB LEU 19 HB2 LEU 19 3.790 -13.703 -13.703 121 2HB LEU 19 HB1 LEU 19 4.843 -15.091 -15.091 122 HG LEU 19 HG LEU 19 6.484 -13.012 -13.012 123 1HD1 LEU 19 HD12 LEU 19 3.678 -12.123 -12.123 124 2HD1 LEU 19 HD11 LEU 19 4.601 -11.925 -11.925 125 3HD1 LEU 19 HD13 LEU 19 5.162 -11.170 -11.170 126 1HD2 LEU 19 HD21 LEU 19 6.043 -15.119 -15.119 127 2HD2 LEU 19 HD23 LEU 19 6.026 -13.710 -13.710 128 3HD2 LEU 19 HD22 LEU 19 4.508 -14.450 -14.450 129 H MET 20 HN MET 20 4.965 -14.298 -14.298 130 HA MET 20 HA MET 20 5.779 -17.150 -17.150 131 1HB MET 20 HB2 MET 20 4.542 -15.752 -15.752 132 2HB MET 20 HB1 MET 20 4.475 -17.465 -17.465 133 1HG MET 20 HG2 MET 20 3.364 -15.556 -15.556 134 2HG MET 20 HG1 MET 20 2.442 -15.795 -15.795 135 1HE MET 20 HE2 MET 20 0.619 -16.390 -16.390 136 2HE MET 20 HE1 MET 20 0.487 -17.719 -17.719 137 3HE MET 20 HE3 MET 20 0.224 -18.005 -18.005 138 H LYS 21 HN LYS 21 7.604 -17.943 -17.943 139 HA LYS 21 HA LYS 21 9.387 -16.035 -16.035 140 1HB LYS 21 HB2 LYS 21 11.068 -17.685 -17.685 141 2HB LYS 21 HB1 LYS 21 10.037 -17.615 -17.615 142 1HG LYS 21 HG2 LYS 21 8.703 -19.532 -19.532 143 2HG LYS 21 HG1 LYS 21 10.038 -19.697 -19.697 144 1HD LYS 21 HD2 LYS 21 11.114 -19.499 -19.499 145 2HD LYS 21 HD1 LYS 21 9.863 -20.742 -20.742 146 1HE LYS 21 HE2 LYS 21 11.721 -20.771 -20.771 147 2HE LYS 21 HE1 LYS 21 12.416 -21.245 -21.245 148 1HZ LYS 21 HZ3 LYS 21 10.415 -22.672 -22.672 149 2HZ LYS 21 HZ2 LYS 21 9.967 -22.336 -22.336 150 3HZ LYS 21 HZ1 LYS 21 11.410 -23.173 -23.173 151 H SER 22 HN SER 22 7.356 -18.830 -18.830 152 HA SER 22 HA SER 22 7.826 -18.475 -18.475 153 1HB SER 22 HB2 SER 22 9.413 -20.197 -20.197 154 2HB SER 22 HB1 SER 22 8.066 -21.266 -21.266 155 HG SER 22 HG SER 22 8.320 -20.702 -20.702 156 H TYR 23 HN TYR 23 6.396 -20.281 -20.281 157 HA TYR 23 HA TYR 23 3.979 -21.004 -21.004 158 1HB TYR 23 HB2 TYR 23 2.518 -19.702 -19.702 159 2HB TYR 23 HB1 TYR 23 3.837 -18.622 -18.622 160 HD1 TYR 23 HD1 TYR 23 2.452 -20.727 -20.727 161 HD2 TYR 23 HD2 TYR 23 5.426 -17.831 -17.831 162 HE1 TYR 23 HE1 TYR 23 2.998 -20.381 -20.381 163 HE2 TYR 23 HE2 TYR 23 5.973 -17.484 -17.484 164 HH TYR 23 HH TYR 23 4.061 -18.982 -18.982 165 H PHE 24 HN PHE 24 2.728 -22.695 -22.695 166 HA PHE 24 HA PHE 24 3.841 -23.642 -23.642 167 1HB PHE 24 HB2 PHE 24 4.557 -25.709 -25.709 168 2HB PHE 24 HB1 PHE 24 5.015 -24.594 -24.594 169 HD1 PHE 24 HD1 PHE 24 2.268 -26.900 -26.900 170 HD2 PHE 24 HD2 PHE 24 4.184 -24.877 -24.877 171 HE1 PHE 24 HE1 PHE 24 0.866 -28.166 -28.166 172 HE2 PHE 24 HE2 PHE 24 2.781 -26.145 -26.145 173 HZ PHE 24 HZ PHE 24 1.122 -27.789 -27.789 174 H GLU 25 HN GLU 25 2.337 -24.771 -24.771 175 HA GLU 25 HA GLU 25 -0.463 -24.730 -24.730 176 1HB GLU 25 HB2 GLU 25 -0.966 -25.033 -25.033 177 2HB GLU 25 HB1 GLU 25 0.340 -23.853 -23.853 178 1HG GLU 25 HG2 GLU 25 1.726 -26.227 -26.227 179 2HG GLU 25 HG1 GLU 25 0.352 -26.570 -26.570 180 H THR 26 HN THR 26 -1.696 -26.642 -26.642 181 HA THR 26 HA THR 26 -0.221 -29.082 -29.082 182 HB THR 26 HB THR 26 -2.499 -29.916 -29.916 183 HG1 THR 26 HG1 THR 26 -3.132 -27.762 -27.762 184 1HG2 THR 26 HG21 THR 26 -1.467 -27.309 -27.309 185 2HG2 THR 26 HG23 THR 26 -3.136 -27.689 -27.689 186 3HG2 THR 26 HG22 THR 26 -1.835 -28.780 -28.780 187 H SER 27 HN SER 27 -1.653 -31.152 -31.152 188 HA SER 27 HA SER 27 -1.099 -31.038 -31.038 189 1HB SER 27 HB2 SER 27 -1.820 -33.367 -33.367 190 2HB SER 27 HB1 SER 27 -1.071 -33.455 -33.455 191 HG SER 27 HG SER 27 0.017 -32.643 -32.643 192 H SER 28 HN SER 28 -2.724 -31.412 -31.412 193 HA SER 28 HA SER 28 -5.455 -30.831 -30.831 194 1HB SER 28 HB2 SER 28 -3.921 -30.718 -30.718 195 2HB SER 28 HB1 SER 28 -4.828 -32.195 -32.195 196 HG SER 28 HG SER 28 -5.646 -29.644 -29.644 197 H GLU 29 HN GLU 29 -3.677 -33.656 -33.656 198 HA GLU 29 HA GLU 29 -5.646 -35.641 -35.641 199 1HB GLU 29 HB2 GLU 29 -3.073 -35.775 -35.775 200 2HB GLU 29 HB1 GLU 29 -3.522 -35.962 -35.962 201 1HG GLU 29 HG2 GLU 29 -4.944 -37.656 -37.656 202 2HG GLU 29 HG1 GLU 29 -3.276 -38.075 -38.075 203 H CYS 30 HN CYS 30 -5.126 -33.647 -33.647 204 HA CYS 30 HA CYS 30 -6.672 -35.237 -35.237 205 1HB CYS 30 HB2 CYS 30 -5.215 -32.734 -32.734 206 2HB CYS 30 HB1 CYS 30 -6.736 -32.508 -32.508 207 H SER 31 HN SER 31 -8.868 -34.895 -34.895 208 HA SER 31 HA SER 31 -10.743 -34.243 -34.243 209 1HB SER 31 HB2 SER 31 -10.802 -35.544 -35.544 210 2HB SER 31 HB1 SER 31 -11.479 -34.005 -34.005 211 HG SER 31 HG SER 31 -12.407 -35.352 -35.352 212 H LYS 32 HN LYS 32 -8.896 -32.209 -32.209 213 HA LYS 32 HA LYS 32 -10.392 -29.836 -29.836 214 1HB LYS 32 HB2 LYS 32 -10.332 -29.019 -29.019 215 2HB LYS 32 HB1 LYS 32 -11.538 -30.234 -30.234 216 1HG LYS 32 HG2 LYS 32 -10.127 -32.011 -32.011 217 2HG LYS 32 HG1 LYS 32 -8.813 -30.872 -30.872 218 1HD LYS 32 HD2 LYS 32 -9.735 -30.894 -30.894 219 2HD LYS 32 HD1 LYS 32 -10.729 -29.624 -29.624 220 1HE LYS 32 HE2 LYS 32 -12.602 -30.893 -30.893 221 2HE LYS 32 HE1 LYS 32 -11.804 -32.286 -32.286 222 1HZ LYS 32 HZ1 LYS 32 -11.410 -31.380 -31.380 223 2HZ LYS 32 HZ3 LYS 32 -12.347 -32.714 -32.714 224 3HZ LYS 32 HZ2 LYS 32 -10.667 -32.726 -32.726 225 HA PRO 33 HA PRO 33 -6.029 -28.862 -28.862 226 1HB PRO 33 HB2 PRO 33 -6.356 -26.546 -26.546 227 2HB PRO 33 HB1 PRO 33 -6.419 -28.155 -28.155 228 1HG PRO 33 HG2 PRO 33 -8.644 -26.340 -26.340 229 2HG PRO 33 HG1 PRO 33 -8.495 -27.379 -27.379 230 1HD PRO 33 HD2 PRO 33 -9.987 -28.021 -28.021 231 2HD PRO 33 HD1 PRO 33 -9.256 -29.229 -29.229 232 H GLY 34 HN GLY 34 -4.971 -26.417 -26.417 233 1HA GLY 34 HA2 GLY 34 -5.932 -24.360 -24.360 234 2HA GLY 34 HA1 GLY 34 -5.703 -25.603 -25.603 235 H VAL 35 HN VAL 35 -4.227 -23.052 -23.052 236 HA VAL 35 HA VAL 35 -1.488 -24.146 -24.146 237 HB VAL 35 HB VAL 35 -1.870 -22.399 -22.399 238 1HG1 VAL 35 HG13 VAL 35 -3.479 -21.195 -21.195 239 2HG1 VAL 35 HG12 VAL 35 -2.901 -20.176 -20.176 240 3HG1 VAL 35 HG11 VAL 35 -3.967 -21.539 -21.539 241 1HG2 VAL 35 HG23 VAL 35 0.175 -21.988 -21.988 242 2HG2 VAL 35 HG22 VAL 35 -0.541 -20.494 -20.494 243 3HG2 VAL 35 HG21 VAL 35 -0.779 -20.969 -20.969 244 H ILE 36 HN ILE 36 -0.142 -24.275 -24.275 245 HA ILE 36 HA ILE 36 -1.010 -22.899 -22.899 246 HB ILE 36 HB ILE 36 0.458 -25.441 -25.441 247 1HG1 ILE 36 HG12 ILE 36 -1.911 -24.653 -24.653 248 2HG1 ILE 36 HG11 ILE 36 -1.903 -25.683 -25.683 249 1HG2 ILE 36 HG23 ILE 36 0.506 -23.977 -23.977 250 2HG2 ILE 36 HG22 ILE 36 0.980 -25.662 -25.662 251 3HG2 ILE 36 HG21 ILE 36 1.897 -24.381 -24.381 252 1HD1 ILE 36 HD13 ILE 36 -0.211 -27.119 -27.119 253 2HD1 ILE 36 HD12 ILE 36 -1.036 -26.312 -26.312 254 3HD1 ILE 36 HD11 ILE 36 -1.954 -27.301 -27.301 255 H PHE 37 HN PHE 37 0.326 -21.337 -21.337 256 HA PHE 37 HA PHE 37 2.845 -20.719 -20.719 257 1HB PHE 37 HB2 PHE 37 1.269 -19.369 -19.369 258 2HB PHE 37 HB1 PHE 37 2.727 -18.695 -18.695 259 HD1 PHE 37 HD1 PHE 37 -0.692 -19.942 -19.942 260 HD2 PHE 37 HD2 PHE 37 2.590 -17.381 -17.381 261 HE1 PHE 37 HE1 PHE 37 -2.053 -18.942 -18.942 262 HE2 PHE 37 HE2 PHE 37 1.233 -16.385 -16.385 263 HZ PHE 37 HZ PHE 37 -1.089 -17.161 -17.161 264 H LEU 38 HN LEU 38 4.871 -21.063 -21.063 265 HA LEU 38 HA LEU 38 4.946 -22.491 -22.491 266 1HB LEU 38 HB2 LEU 38 6.335 -22.568 -22.568 267 2HB LEU 38 HB1 LEU 38 7.501 -22.236 -22.236 268 HG LEU 38 HG LEU 38 7.210 -24.671 -24.671 269 1HD1 LEU 38 HD11 LEU 38 6.126 -23.547 -23.547 270 2HD1 LEU 38 HD13 LEU 38 6.605 -25.230 -25.230 271 3HD1 LEU 38 HD12 LEU 38 7.804 -23.945 -23.945 272 1HD2 LEU 38 HD23 LEU 38 4.333 -23.976 -23.976 273 2HD2 LEU 38 HD22 LEU 38 4.966 -24.837 -24.837 274 3HD2 LEU 38 HD21 LEU 38 4.962 -25.613 -25.613 275 H THR 39 HN THR 39 5.462 -21.295 -21.295 276 HA THR 39 HA THR 39 6.503 -18.550 -18.550 277 HB THR 39 HB THR 39 5.770 -18.290 -18.290 278 HG1 THR 39 HG1 THR 39 6.553 -19.881 -19.881 279 1HG2 THR 39 HG22 THR 39 4.091 -19.473 -19.473 280 2HG2 THR 39 HG21 THR 39 3.740 -20.310 -20.310 281 3HG2 THR 39 HG23 THR 39 3.593 -18.554 -18.554 282 H LYS 40 HN LYS 40 8.496 -17.853 -17.853 283 HA LYS 40 HA LYS 40 10.672 -19.727 -19.727 284 1HB LYS 40 HB2 LYS 40 10.875 -17.363 -17.363 285 2HB LYS 40 HB1 LYS 40 10.390 -16.875 -16.875 286 1HG LYS 40 HG2 LYS 40 12.455 -17.270 -17.270 287 2HG LYS 40 HG1 LYS 40 12.639 -18.773 -18.773 288 1HD LYS 40 HD2 LYS 40 13.387 -17.637 -17.637 289 2HD LYS 40 HD1 LYS 40 12.820 -16.077 -16.077 290 1HE LYS 40 HE2 LYS 40 14.549 -16.784 -16.784 291 2HE LYS 40 HE1 LYS 40 15.345 -17.506 -17.506 292 1HZ LYS 40 HZ2 LYS 40 14.178 -14.827 -14.827 293 2HZ LYS 40 HZ1 LYS 40 15.647 -14.966 -14.966 294 3HZ LYS 40 HZ3 LYS 40 15.541 -15.491 -15.491 295 H LYS 41 HN LYS 41 8.590 -18.399 -18.399 296 HA LYS 41 HA LYS 41 10.245 -19.106 -19.106 297 1HB LYS 41 HB2 LYS 41 7.726 -17.885 -17.885 298 2HB LYS 41 HB1 LYS 41 7.455 -19.133 -19.133 299 1HG LYS 41 HG2 LYS 41 8.966 -18.146 -18.146 300 2HG LYS 41 HG1 LYS 41 9.742 -17.184 -17.184 301 1HD LYS 41 HD2 LYS 41 8.379 -15.624 -15.624 302 2HD LYS 41 HD1 LYS 41 7.422 -16.061 -16.061 303 1HE LYS 41 HE2 LYS 41 5.915 -16.188 -16.188 304 2HE LYS 41 HE1 LYS 41 6.346 -17.869 -17.869 305 1HZ LYS 41 HZ3 LYS 41 8.105 -16.344 -16.344 306 2HZ LYS 41 HZ2 LYS 41 6.626 -16.890 -16.890 307 3HZ LYS 41 HZ1 LYS 41 7.744 -18.002 -18.002 308 H GLY 42 HN GLY 42 8.647 -21.041 -21.041 309 1HA GLY 42 HA2 GLY 42 8.698 -23.444 -23.444 310 2HA GLY 42 HA1 GLY 42 8.879 -23.378 -23.378 311 H ARG 43 HN ARG 43 6.467 -22.302 -22.302 312 HA ARG 43 HA ARG 43 4.368 -23.762 -23.762 313 1HB ARG 43 HB2 ARG 43 4.912 -21.166 -21.166 314 2HB ARG 43 HB1 ARG 43 3.739 -20.947 -20.947 315 1HG ARG 43 HG2 ARG 43 2.180 -21.249 -21.249 316 2HG ARG 43 HG1 ARG 43 2.587 -22.958 -22.958 317 1HD ARG 43 HD2 ARG 43 3.704 -22.965 -22.965 318 2HD ARG 43 HD1 ARG 43 4.386 -21.349 -21.349 319 HE ARG 43 HE ARG 43 2.027 -20.486 -20.486 320 1HH1 ARG 43 HH11 ARG 43 3.340 -21.356 -21.356 321 2HH1 ARG 43 HH12 ARG 43 2.148 -22.402 -22.402 322 1HH2 ARG 43 HH21 ARG 43 0.378 -22.789 -22.789 323 2HH2 ARG 43 HH22 ARG 43 0.471 -23.214 -23.214 324 H GLN 44 HN GLN 44 2.170 -23.331 -23.331 325 HA GLN 44 HA GLN 44 2.640 -22.960 -22.960 326 1HB GLN 44 HB2 GLN 44 1.404 -25.158 -25.158 327 2HB GLN 44 HB1 GLN 44 3.012 -25.311 -25.311 328 1HG GLN 44 HG2 GLN 44 2.189 -25.852 -25.852 329 2HG GLN 44 HG1 GLN 44 0.681 -24.972 -24.972 330 1HE2 GLN 44 HE21 GLN 44 2.286 -27.586 -27.586 331 2HE2 GLN 44 HE22 GLN 44 0.937 -28.616 -28.616 332 H VAL 45 HN VAL 45 0.846 -22.069 -22.069 333 HA VAL 45 HA VAL 45 -1.659 -21.806 -21.806 334 HB VAL 45 HB VAL 45 -0.164 -19.927 -19.927 335 1HG1 VAL 45 HG12 VAL 45 -3.028 -20.183 -20.183 336 2HG1 VAL 45 HG11 VAL 45 -2.478 -18.639 -18.639 337 3HG1 VAL 45 HG13 VAL 45 -2.125 -19.065 -19.065 338 1HG2 VAL 45 HG23 VAL 45 -0.828 -20.118 -20.118 339 2HG2 VAL 45 HG22 VAL 45 0.603 -19.448 -19.448 340 3HG2 VAL 45 HG21 VAL 45 -0.886 -18.505 -18.505 341 H CYS 46 HN CYS 46 -3.632 -22.137 -22.137 342 HA CYS 46 HA CYS 46 -3.324 -23.415 -23.415 343 1HB CYS 46 HB2 CYS 46 -4.923 -23.817 -23.817 344 2HB CYS 46 HB1 CYS 46 -5.921 -23.792 -23.792 345 H ALA 47 HN ALA 47 -4.124 -22.329 -22.329 346 HA ALA 47 HA ALA 47 -6.185 -20.210 -20.210 347 1HB ALA 47 HB2 ALA 47 -3.610 -19.575 -19.575 348 2HB ALA 47 HB1 ALA 47 -3.988 -19.772 -19.772 349 3HB ALA 47 HB3 ALA 47 -4.874 -18.593 -18.593 350 H LYS 48 HN LYS 48 -7.430 -19.715 -19.715 351 HA LYS 48 HA LYS 48 -8.125 -22.024 -22.024 352 1HB LYS 48 HB2 LYS 48 -8.939 -19.267 -19.267 353 2HB LYS 48 HB1 LYS 48 -9.031 -19.695 -19.695 354 1HG LYS 48 HG2 LYS 48 -11.009 -20.673 -20.673 355 2HG LYS 48 HG1 LYS 48 -10.061 -21.935 -21.935 356 1HD LYS 48 HD2 LYS 48 -11.727 -21.083 -21.083 357 2HD LYS 48 HD1 LYS 48 -10.119 -20.603 -20.603 358 1HE LYS 48 HE2 LYS 48 -10.581 -18.386 -18.386 359 2HE LYS 48 HE1 LYS 48 -11.372 -18.666 -18.666 360 1HZ LYS 48 HZ1 LYS 48 -12.734 -19.795 -19.795 361 2HZ LYS 48 HZ3 LYS 48 -12.692 -18.100 -18.100 362 3HZ LYS 48 HZ2 LYS 48 -13.371 -18.950 -18.950 363 HA PRO 49 HA PRO 49 -5.559 -21.668 -21.668 364 1HB PRO 49 HB2 PRO 49 -7.285 -21.779 -21.779 365 2HB PRO 49 HB1 PRO 49 -6.930 -23.179 -23.179 366 1HG PRO 49 HG2 PRO 49 -9.288 -21.363 -21.363 367 2HG PRO 49 HG1 PRO 49 -9.209 -23.108 -23.108 368 1HD PRO 49 HD2 PRO 49 -9.447 -21.237 -21.237 369 2HD PRO 49 HD1 PRO 49 -8.757 -22.857 -22.857 370 H SER 50 HN SER 50 -8.366 -19.487 -19.487 371 HA SER 50 HA SER 50 -6.602 -17.423 -17.423 372 1HB SER 50 HB2 SER 50 -9.518 -18.131 -18.131 373 2HB SER 50 HB1 SER 50 -8.762 -16.680 -16.680 374 HG SER 50 HG SER 50 -7.383 -17.941 -17.941 375 H GLY 51 HN GLY 51 -6.991 -17.765 -17.765 376 1HA GLY 51 HA2 GLY 51 -9.052 -16.188 -16.188 377 2HA GLY 51 HA1 GLY 51 -7.479 -16.446 -16.446 378 HA PRO 52 HA PRO 52 -8.061 -12.096 -12.096 379 1HB PRO 52 HB2 PRO 52 -9.062 -10.731 -10.731 380 2HB PRO 52 HB1 PRO 52 -10.090 -11.463 -11.463 381 1HG PRO 52 HG2 PRO 52 -9.357 -12.496 -12.496 382 2HG PRO 52 HG1 PRO 52 -10.921 -12.525 -12.525 383 1HD PRO 52 HD2 PRO 52 -9.294 -14.688 -14.688 384 2HD PRO 52 HD1 PRO 52 -10.368 -14.382 -14.382 385 H GLY 53 HN GLY 53 -5.808 -11.877 -11.877 386 1HA GLY 53 HA2 GLY 53 -4.019 -10.549 -10.549 387 2HA GLY 53 HA1 GLY 53 -4.683 -10.947 -10.947 388 H VAL 54 HN VAL 54 -5.081 -13.805 -13.805 389 HA VAL 54 HA VAL 54 -2.675 -14.943 -14.943 390 HB VAL 54 HB VAL 54 -4.998 -15.938 -15.938 391 1HG1 VAL 54 HG13 VAL 54 -2.493 -17.215 -17.215 392 2HG1 VAL 54 HG12 VAL 54 -3.525 -18.048 -18.048 393 3HG1 VAL 54 HG11 VAL 54 -4.012 -17.933 -17.933 394 1HG2 VAL 54 HG23 VAL 54 -4.870 -15.244 -15.244 395 2HG2 VAL 54 HG22 VAL 54 -5.947 -16.498 -16.498 396 3HG2 VAL 54 HG21 VAL 54 -4.402 -16.940 -16.940 397 H GLN 55 HN GLN 55 -3.761 -14.416 -14.416 398 HA GLN 55 HA GLN 55 -1.457 -15.685 -15.685 399 1HB GLN 55 HB2 GLN 55 -3.851 -14.187 -14.187 400 2HB GLN 55 HB1 GLN 55 -2.470 -13.760 -13.760 401 1HG GLN 55 HG2 GLN 55 -2.679 -16.643 -16.643 402 2HG GLN 55 HG1 GLN 55 -4.086 -15.984 -15.984 403 1HE2 GLN 55 HE21 GLN 55 -1.180 -17.386 -17.386 404 2HE2 GLN 55 HE22 GLN 55 -0.815 -16.631 -16.631 405 H ASP 56 HN ASP 56 -2.167 -12.440 -12.440 406 HA ASP 56 HA ASP 56 0.111 -11.132 -11.132 407 1HB ASP 56 HB2 ASP 56 -2.029 -10.135 -10.135 408 2HB ASP 56 HB1 ASP 56 -1.312 -10.436 -10.436 409 H CYS 57 HN CYS 57 -0.450 -12.872 -12.872 410 HA CYS 57 HA CYS 57 2.054 -12.209 -12.209 411 1HB CYS 57 HB2 CYS 57 0.237 -14.631 -14.631 412 2HB CYS 57 HB1 CYS 57 1.428 -14.120 -14.120 413 H MET 58 HN MET 58 1.002 -14.968 -14.968 414 HA MET 58 HA MET 58 3.560 -16.316 -16.316 415 1HB MET 58 HB2 MET 58 1.371 -16.434 -16.434 416 2HB MET 58 HB1 MET 58 2.551 -17.686 -17.686 417 1HG MET 58 HG2 MET 58 1.424 -18.360 -18.360 418 2HG MET 58 HG1 MET 58 0.887 -16.726 -16.726 419 1HE MET 58 HE1 MET 58 0.914 -19.526 -19.526 420 2HE MET 58 HE3 MET 58 -0.763 -20.091 -20.091 421 3HE MET 58 HE2 MET 58 -0.168 -19.061 -19.061 422 H LYS 59 HN LYS 59 2.173 -13.768 -13.768 423 HA LYS 59 HA LYS 59 4.051 -13.935 -13.935 424 1HB LYS 59 HB2 LYS 59 1.754 -12.566 -12.566 425 2HB LYS 59 HB1 LYS 59 2.960 -11.295 -11.295 426 1HG LYS 59 HG2 LYS 59 2.368 -11.188 -11.188 427 2HG LYS 59 HG1 LYS 59 3.897 -12.067 -12.067 428 1HD LYS 59 HD2 LYS 59 2.320 -14.179 -14.179 429 2HD LYS 59 HD1 LYS 59 1.122 -13.097 -13.097 430 1HE LYS 59 HE2 LYS 59 3.550 -12.771 -12.771 431 2HE LYS 59 HE1 LYS 59 3.223 -14.509 -14.509 432 1HZ LYS 59 HZ1 LYS 59 0.930 -14.083 -14.083 433 2HZ LYS 59 HZ3 LYS 59 1.256 -12.425 -12.425 434 3HZ LYS 59 HZ2 LYS 59 2.004 -13.531 -13.531 435 H LYS 60 HN LYS 60 3.940 -11.967 -11.967 436 HA LYS 60 HA LYS 60 6.455 -10.627 -10.627 437 1HB LYS 60 HB2 LYS 60 4.339 -10.845 -10.845 438 2HB LYS 60 HB1 LYS 60 5.929 -10.727 -10.727 439 1HG LYS 60 HG2 LYS 60 5.011 -8.861 -8.861 440 2HG LYS 60 HG1 LYS 60 4.790 -8.504 -8.504 441 1HD LYS 60 HD2 LYS 60 7.193 -8.612 -8.612 442 2HD LYS 60 HD1 LYS 60 7.466 -9.125 -9.125 443 1HE LYS 60 HE2 LYS 60 6.665 -6.982 -6.982 444 2HE LYS 60 HE1 LYS 60 6.207 -6.472 -6.472 445 1HZ LYS 60 HZ1 LYS 60 8.627 -7.054 -7.054 446 2HZ LYS 60 HZ3 LYS 60 8.909 -6.966 -6.966 447 3HZ LYS 60 HZ2 LYS 60 8.339 -5.602 -5.602 448 H LEU 61 HN LEU 61 5.564 -13.772 -13.772 449 HA LEU 61 HA LEU 61 8.035 -14.236 -14.236 450 1HB LEU 61 HB2 LEU 61 5.512 -15.543 -15.543 451 2HB LEU 61 HB1 LEU 61 6.859 -16.677 -16.677 452 HG LEU 61 HG LEU 61 7.473 -16.279 -16.279 453 1HD1 LEU 61 HD11 LEU 61 6.146 -13.687 -13.687 454 2HD1 LEU 61 HD13 LEU 61 5.879 -14.348 -14.348 455 3HD1 LEU 61 HD12 LEU 61 7.522 -14.068 -14.068 456 1HD2 LEU 61 HD23 LEU 61 4.449 -16.103 -16.103 457 2HD2 LEU 61 HD22 LEU 61 5.401 -17.586 -17.586 458 3HD2 LEU 61 HD21 LEU 61 5.365 -16.586 -16.586 459 H LYS 62 HN LYS 62 7.407 -14.020 -14.020 460 HA LYS 62 HA LYS 62 9.639 -15.916 -15.916 461 1HB LYS 62 HB2 LYS 62 7.395 -16.480 -16.480 462 2HB LYS 62 HB1 LYS 62 7.331 -14.907 -14.907 463 1HG LYS 62 HG2 LYS 62 9.566 -15.595 -15.595 464 2HG LYS 62 HG1 LYS 62 9.169 -17.231 -17.231 465 1HD LYS 62 HD2 LYS 62 7.339 -15.478 -15.478 466 2HD LYS 62 HD1 LYS 62 8.390 -16.731 -16.731 467 1HE LYS 62 HE2 LYS 62 7.197 -18.467 -18.467 468 2HE LYS 62 HE1 LYS 62 6.322 -17.290 -17.290 469 1HZ LYS 62 HZ1 LYS 62 5.806 -16.382 -16.382 470 2HZ LYS 62 HZ3 LYS 62 5.900 -18.045 -18.045 471 3HZ LYS 62 HZ2 LYS 62 4.789 -17.462 -17.462 472 HA PRO 63 HA PRO 63 11.505 -11.923 -11.923 473 1HB PRO 63 HB2 PRO 63 14.067 -12.885 -12.885 474 2HB PRO 63 HB1 PRO 63 13.227 -12.463 -12.463 475 1HG PRO 63 HG2 PRO 63 13.689 -15.134 -15.134 476 2HG PRO 63 HG1 PRO 63 13.721 -14.660 -14.660 477 1HD PRO 63 HD2 PRO 63 11.617 -15.947 -15.947 478 2HD PRO 63 HD1 PRO 63 11.457 -14.900 -14.900 479 H TYR 64 HN TYR 64 10.933 -11.580 -11.580 480 HA TYR 64 HA TYR 64 12.696 -12.795 -12.795 481 1HB TYR 64 HB2 TYR 64 10.242 -13.912 -13.912 482 2HB TYR 64 HB1 TYR 64 9.855 -12.878 -12.878 483 HD1 TYR 64 HD1 TYR 64 11.257 -13.089 -13.089 484 HD2 TYR 64 HD2 TYR 64 11.414 -15.951 -15.951 485 HE1 TYR 64 HE1 TYR 64 12.285 -14.747 -14.747 486 HE2 TYR 64 HE2 TYR 64 12.442 -17.608 -17.608 487 HH TYR 64 HH TYR 64 12.349 -17.445 -17.445 488 H SER 65 HN SER 65 12.623 -10.118 -10.118 489 HA SER 65 HA SER 65 11.041 -8.632 -8.632 490 1HB SER 65 HB2 SER 65 10.900 -7.926 -7.926 491 2HB SER 65 HB1 SER 65 12.657 -7.801 -7.801 492 HG SER 65 HG SER 65 10.943 -5.958 -5.958 493 H ILE 66 HN ILE 66 12.793 -9.804 -9.804 494 HA ILE 66 HA ILE 66 14.667 -7.743 -7.743 495 HB ILE 66 HB ILE 66 15.778 -8.715 -8.715 496 1HG1 ILE 66 HG12 ILE 66 17.356 -9.768 -9.768 497 2HG1 ILE 66 HG11 ILE 66 16.942 -8.054 -8.054 498 1HG2 ILE 66 HG23 ILE 66 14.841 -11.149 -11.149 499 2HG2 ILE 66 HG22 ILE 66 16.595 -11.228 -11.228 500 3HG2 ILE 66 HG21 ILE 66 15.589 -10.926 -10.926 501 1HD1 ILE 66 HD11 ILE 66 17.778 -8.260 -8.260 502 2HD1 ILE 66 HD13 ILE 66 18.719 -9.582 -9.582 503 3HD1 ILE 66 HD12 ILE 66 18.900 -7.946 -7.946 Start of MODEL 2 1 1H HIS 1 HT2 HIS 1 4.382 -41.191 -41.191 2 2H HIS 1 HT1 HIS 1 3.352 -41.879 -41.879 3 3H HIS 1 HT3 HIS 1 3.196 -42.313 -42.313 4 HA HIS 1 HA HIS 1 2.288 -40.248 -40.248 5 1HB HIS 1 HB2 HIS 1 1.305 -41.038 -41.038 6 2HB HIS 1 HB1 HIS 1 0.372 -40.174 -40.174 7 HD1 HIS 1 HD1 HIS 1 1.134 -41.823 -41.823 8 HD2 HIS 1 HD2 HIS 1 0.055 -43.528 -43.528 9 HE1 HIS 1 HE1 HIS 1 0.329 -44.169 -44.169 10 H PHE 2 HN PHE 2 1.712 -38.004 -38.004 11 HA PHE 2 HA PHE 2 3.692 -36.923 -36.923 12 1HB PHE 2 HB2 PHE 2 3.660 -36.467 -36.467 13 2HB PHE 2 HB1 PHE 2 2.443 -35.278 -35.278 14 HD1 PHE 2 HD1 PHE 2 3.065 -33.728 -33.728 15 HD2 PHE 2 HD2 PHE 2 5.927 -35.902 -35.902 16 HE1 PHE 2 HE1 PHE 2 4.856 -32.186 -32.186 17 HE2 PHE 2 HE2 PHE 2 7.717 -34.359 -34.359 18 HZ PHE 2 HZ PHE 2 7.182 -32.502 -32.502 19 H ALA 3 HN ALA 3 2.178 -37.049 -37.049 20 HA ALA 3 HA ALA 3 -0.453 -35.754 -35.754 21 1HB ALA 3 HB3 ALA 3 0.441 -37.818 -37.818 22 2HB ALA 3 HB2 ALA 3 0.846 -36.557 -36.557 23 3HB ALA 3 HB1 ALA 3 -0.825 -36.772 -36.772 24 H ALA 4 HN ALA 4 2.775 -34.888 -34.888 25 HA ALA 4 HA ALA 4 3.623 -32.916 -32.916 26 1HB ALA 4 HB2 ALA 4 1.358 -32.114 -32.114 27 2HB ALA 4 HB1 ALA 4 2.313 -30.893 -30.893 28 3HB ALA 4 HB3 ALA 4 3.093 -31.998 -31.998 29 H ASP 5 HN ASP 5 0.422 -31.500 -31.500 30 HA ASP 5 HA ASP 5 -0.383 -32.224 -32.224 31 1HB ASP 5 HB2 ASP 5 1.771 -30.473 -30.473 32 2HB ASP 5 HB1 ASP 5 0.395 -29.398 -29.398 33 H CYS 6 HN CYS 6 -2.518 -32.269 -32.269 34 HA CYS 6 HA CYS 6 -3.583 -29.934 -29.934 35 1HB CYS 6 HB2 CYS 6 -4.968 -32.462 -32.462 36 2HB CYS 6 HB1 CYS 6 -5.466 -31.389 -31.389 37 H CYS 7 HN CYS 7 -4.886 -28.388 -28.388 38 HA CYS 7 HA CYS 7 -5.314 -28.548 -28.548 39 1HB CYS 7 HB2 CYS 7 -5.241 -26.477 -26.477 40 2HB CYS 7 HB1 CYS 7 -6.114 -26.110 -26.110 41 H THR 8 HN THR 8 -7.379 -28.489 -28.489 42 HA THR 8 HA THR 8 -9.667 -29.049 -29.049 43 HB THR 8 HB THR 8 -10.679 -29.794 -29.794 44 HG1 THR 8 HG1 THR 8 -9.219 -30.035 -30.035 45 1HG2 THR 8 HG21 THR 8 -9.291 -31.173 -31.173 46 2HG2 THR 8 HG23 THR 8 -8.147 -31.310 -31.310 47 3HG2 THR 8 HG22 THR 8 -9.796 -31.909 -31.909 48 H SER 9 HN SER 9 -8.333 -26.647 -26.647 49 HA SER 9 HA SER 9 -10.799 -24.989 -24.989 50 1HB SER 9 HB2 SER 9 -9.339 -25.839 -25.839 51 2HB SER 9 HB1 SER 9 -10.117 -24.256 -24.256 52 HG SER 9 HG SER 9 -11.778 -25.437 -25.437 53 H TYR 10 HN TYR 10 -10.261 -22.932 -22.932 54 HA TYR 10 HA TYR 10 -7.396 -22.244 -22.244 55 1HB TYR 10 HB2 TYR 10 -9.946 -20.865 -20.865 56 2HB TYR 10 HB1 TYR 10 -8.313 -20.457 -20.457 57 HD1 TYR 10 HD1 TYR 10 -6.898 -22.570 -22.570 58 HD2 TYR 10 HD2 TYR 10 -11.186 -22.315 -22.315 59 HE1 TYR 10 HE1 TYR 10 -7.015 -24.358 -24.358 60 HE2 TYR 10 HE2 TYR 10 -11.305 -24.094 -24.094 61 HH TYR 10 HH TYR 10 -9.315 -26.174 -26.174 62 H ILE 11 HN ILE 11 -6.933 -19.779 -19.779 63 HA ILE 11 HA ILE 11 -7.301 -19.314 -19.314 64 HB ILE 11 HB ILE 11 -5.922 -17.436 -17.436 65 1HG1 ILE 11 HG12 ILE 11 -7.514 -16.382 -16.382 66 2HG1 ILE 11 HG11 ILE 11 -5.811 -16.190 -16.190 67 1HG2 ILE 11 HG22 ILE 11 -5.032 -19.715 -19.715 68 2HG2 ILE 11 HG21 ILE 11 -5.240 -19.026 -19.026 69 3HG2 ILE 11 HG23 ILE 11 -4.156 -18.251 -18.251 70 1HD1 ILE 11 HD13 ILE 11 -6.012 -18.229 -18.229 71 2HD1 ILE 11 HD12 ILE 11 -7.751 -18.200 -18.200 72 3HD1 ILE 11 HD11 ILE 11 -6.978 -16.856 -16.856 73 H SER 12 HN SER 12 -8.285 -17.203 -17.203 74 HA SER 12 HA SER 12 -10.957 -16.822 -16.822 75 1HB SER 12 HB2 SER 12 -10.903 -15.507 -15.507 76 2HB SER 12 HB1 SER 12 -11.462 -17.159 -17.159 77 HG SER 12 HG SER 12 -9.872 -17.706 -17.706 78 H GLN 13 HN GLN 13 -7.974 -15.374 -15.374 79 HA GLN 13 HA GLN 13 -9.164 -12.768 -12.768 80 1HB GLN 13 HB2 GLN 13 -7.295 -11.705 -11.705 81 2HB GLN 13 HB1 GLN 13 -8.696 -12.359 -12.359 82 1HG GLN 13 HG2 GLN 13 -7.524 -14.202 -14.202 83 2HG GLN 13 HG1 GLN 13 -6.353 -14.157 -14.157 84 1HE2 GLN 13 HE21 GLN 13 -5.355 -14.318 -14.318 85 2HE2 GLN 13 HE22 GLN 13 -4.653 -12.836 -12.836 86 H SER 14 HN SER 14 -6.893 -11.347 -11.347 87 HA SER 14 HA SER 14 -5.848 -12.443 -12.443 88 1HB SER 14 HB2 SER 14 -5.874 -10.035 -10.035 89 2HB SER 14 HB1 SER 14 -4.191 -10.509 -10.509 90 HG SER 14 HG SER 14 -5.286 -10.882 -10.882 91 H ILE 15 HN ILE 15 -3.793 -13.406 -13.406 92 HA ILE 15 HA ILE 15 -2.745 -15.169 -15.169 93 HB ILE 15 HB ILE 15 -1.885 -14.340 -14.340 94 1HG1 ILE 15 HG12 ILE 15 -4.028 -15.649 -15.649 95 2HG1 ILE 15 HG11 ILE 15 -2.837 -16.451 -16.451 96 1HG2 ILE 15 HG23 ILE 15 -0.769 -16.538 -16.538 97 2HG2 ILE 15 HG22 ILE 15 -0.360 -16.286 -16.286 98 3HG2 ILE 15 HG21 ILE 15 0.090 -15.078 -15.078 99 1HD1 ILE 15 HD12 ILE 15 -2.629 -16.984 -16.984 100 2HD1 ILE 15 HD11 ILE 15 -4.030 -17.675 -17.675 101 3HD1 ILE 15 HD13 ILE 15 -2.402 -18.080 -18.080 102 HA PRO 16 HA PRO 16 0.085 -12.215 -12.215 103 1HB PRO 16 HB2 PRO 16 1.399 -13.935 -13.935 104 2HB PRO 16 HB1 PRO 16 -0.229 -13.316 -13.316 105 1HG PRO 16 HG2 PRO 16 0.624 -15.967 -15.967 106 2HG PRO 16 HG1 PRO 16 -0.729 -15.549 -15.549 107 1HD PRO 16 HD2 PRO 16 -0.925 -16.102 -16.102 108 2HD PRO 16 HD1 PRO 16 -2.135 -15.222 -15.222 109 H CYS 17 HN CYS 17 1.104 -12.355 -12.355 110 HA CYS 17 HA CYS 17 3.347 -14.071 -14.071 111 1HB CYS 17 HB2 CYS 17 1.919 -11.916 -11.916 112 2HB CYS 17 HB1 CYS 17 3.634 -11.509 -11.509 113 H SER 18 HN SER 18 2.979 -11.380 -11.380 114 HA SER 18 HA SER 18 5.598 -10.264 -10.264 115 1HB SER 18 HB2 SER 18 3.973 -10.460 -10.460 116 2HB SER 18 HB1 SER 18 4.780 -9.063 -9.063 117 HG SER 18 HG SER 18 3.055 -8.610 -8.610 118 H LEU 19 HN LEU 19 4.670 -13.380 -13.380 119 HA LEU 19 HA LEU 19 7.228 -13.736 -13.736 120 1HB LEU 19 HB2 LEU 19 5.783 -15.312 -15.312 121 2HB LEU 19 HB1 LEU 19 5.697 -13.573 -13.573 122 HG LEU 19 HG LEU 19 3.806 -14.554 -14.554 123 1HD1 LEU 19 HD11 LEU 19 3.931 -15.754 -15.754 124 2HD1 LEU 19 HD13 LEU 19 2.338 -15.246 -15.246 125 3HD1 LEU 19 HD12 LEU 19 3.268 -16.418 -16.418 126 1HD2 LEU 19 HD21 LEU 19 4.047 -12.526 -12.526 127 2HD2 LEU 19 HD23 LEU 19 3.122 -12.480 -12.480 128 3HD2 LEU 19 HD22 LEU 19 2.443 -13.255 -13.255 129 H MET 20 HN MET 20 5.463 -14.619 -14.619 130 HA MET 20 HA MET 20 5.995 -17.536 -17.536 131 1HB MET 20 HB2 MET 20 4.855 -15.944 -15.944 132 2HB MET 20 HB1 MET 20 4.662 -17.664 -17.664 133 1HG MET 20 HG2 MET 20 3.744 -15.798 -15.798 134 2HG MET 20 HG1 MET 20 2.783 -15.853 -15.853 135 1HE MET 20 HE2 MET 20 0.973 -16.377 -16.377 136 2HE MET 20 HE1 MET 20 0.490 -18.012 -18.012 137 3HE MET 20 HE3 MET 20 0.555 -17.538 -17.538 138 H LYS 21 HN LYS 21 7.741 -18.472 -18.472 139 HA LYS 21 HA LYS 21 9.701 -16.720 -16.720 140 1HB LYS 21 HB2 LYS 21 10.539 -18.148 -18.148 141 2HB LYS 21 HB1 LYS 21 9.671 -19.544 -19.544 142 1HG LYS 21 HG2 LYS 21 12.098 -19.597 -19.597 143 2HG LYS 21 HG1 LYS 21 11.075 -19.538 -19.538 144 1HD LYS 21 HD2 LYS 21 11.973 -17.570 -17.570 145 2HD LYS 21 HD1 LYS 21 11.676 -16.862 -16.862 146 1HE LYS 21 HE2 LYS 21 13.894 -16.981 -16.981 147 2HE LYS 21 HE1 LYS 21 13.827 -18.743 -18.743 148 1HZ LYS 21 HZ2 LYS 21 13.819 -16.938 -16.938 149 2HZ LYS 21 HZ1 LYS 21 15.280 -17.433 -17.433 150 3HZ LYS 21 HZ3 LYS 21 14.220 -18.587 -18.587 151 H SER 22 HN SER 22 7.678 -19.575 -19.575 152 HA SER 22 HA SER 22 7.849 -18.972 -18.972 153 1HB SER 22 HB2 SER 22 10.023 -20.116 -20.116 154 2HB SER 22 HB1 SER 22 9.060 -21.553 -21.553 155 HG SER 22 HG SER 22 10.051 -21.014 -21.014 156 H TYR 23 HN TYR 23 5.840 -19.505 -19.505 157 HA TYR 23 HA TYR 23 4.202 -21.485 -21.485 158 1HB TYR 23 HB2 TYR 23 2.374 -20.412 -20.412 159 2HB TYR 23 HB1 TYR 23 3.497 -19.118 -19.118 160 HD1 TYR 23 HD1 TYR 23 2.247 -21.278 -21.278 161 HD2 TYR 23 HD2 TYR 23 4.713 -17.917 -17.917 162 HE1 TYR 23 HE1 TYR 23 2.444 -20.681 -20.681 163 HE2 TYR 23 HE2 TYR 23 4.910 -17.322 -17.322 164 HH TYR 23 HH TYR 23 4.712 -18.766 -18.766 165 H PHE 24 HN PHE 24 2.840 -23.003 -23.003 166 HA PHE 24 HA PHE 24 4.117 -23.740 -23.740 167 1HB PHE 24 HB2 PHE 24 4.767 -25.896 -25.896 168 2HB PHE 24 HB1 PHE 24 5.235 -24.846 -24.846 169 HD1 PHE 24 HD1 PHE 24 2.468 -27.060 -27.060 170 HD2 PHE 24 HD2 PHE 24 4.373 -25.202 -25.202 171 HE1 PHE 24 HE1 PHE 24 1.034 -28.374 -28.374 172 HE2 PHE 24 HE2 PHE 24 2.935 -26.518 -26.518 173 HZ PHE 24 HZ PHE 24 1.267 -28.105 -28.105 174 H GLU 25 HN GLU 25 2.679 -24.915 -24.915 175 HA GLU 25 HA GLU 25 -0.162 -24.804 -24.804 176 1HB GLU 25 HB2 GLU 25 1.245 -25.528 -25.528 177 2HB GLU 25 HB1 GLU 25 -0.495 -25.299 -25.299 178 1HG GLU 25 HG2 GLU 25 -0.258 -23.069 -23.069 179 2HG GLU 25 HG1 GLU 25 0.885 -23.039 -23.039 180 H THR 26 HN THR 26 -1.441 -26.643 -26.643 181 HA THR 26 HA THR 26 -0.085 -29.153 -29.153 182 HB THR 26 HB THR 26 -2.458 -29.858 -29.858 183 HG1 THR 26 HG1 THR 26 -3.036 -28.074 -28.074 184 1HG2 THR 26 HG23 THR 26 -1.165 -27.421 -27.421 185 2HG2 THR 26 HG22 THR 26 -2.838 -27.727 -27.727 186 3HG2 THR 26 HG21 THR 26 -1.596 -28.934 -28.934 187 H SER 27 HN SER 27 -1.433 -31.200 -31.200 188 HA SER 27 HA SER 27 -1.086 -31.050 -31.050 189 1HB SER 27 HB2 SER 27 -1.625 -33.433 -33.433 190 2HB SER 27 HB1 SER 27 -0.926 -33.451 -33.451 191 HG SER 27 HG SER 27 0.919 -33.242 -33.242 192 H SER 28 HN SER 28 -2.802 -31.487 -31.487 193 HA SER 28 HA SER 28 -5.491 -30.980 -30.980 194 1HB SER 28 HB2 SER 28 -4.682 -30.394 -30.394 195 2HB SER 28 HB1 SER 28 -4.319 -32.085 -32.085 196 HG SER 28 HG SER 28 -6.446 -32.546 -32.546 197 H GLU 29 HN GLU 29 -3.618 -33.753 -33.753 198 HA GLU 29 HA GLU 29 -5.592 -35.790 -35.790 199 1HB GLU 29 HB2 GLU 29 -2.951 -35.776 -35.776 200 2HB GLU 29 HB1 GLU 29 -3.335 -36.154 -36.154 201 1HG GLU 29 HG2 GLU 29 -4.643 -37.689 -37.689 202 2HG GLU 29 HG1 GLU 29 -3.023 -38.124 -38.124 203 H CYS 30 HN CYS 30 -4.924 -33.771 -33.771 204 HA CYS 30 HA CYS 30 -6.208 -35.440 -35.440 205 1HB CYS 30 HB2 CYS 30 -4.839 -32.926 -32.926 206 2HB CYS 30 HB1 CYS 30 -6.332 -32.673 -32.673 207 H SER 31 HN SER 31 -8.330 -35.115 -35.115 208 HA SER 31 HA SER 31 -10.450 -34.649 -34.649 209 1HB SER 31 HB2 SER 31 -11.082 -35.950 -35.950 210 2HB SER 31 HB1 SER 31 -10.086 -35.037 -35.037 211 HG SER 31 HG SER 31 -12.345 -34.686 -34.686 212 H LYS 32 HN LYS 32 -8.476 -32.446 -32.446 213 HA LYS 32 HA LYS 32 -10.148 -30.181 -30.181 214 1HB LYS 32 HB2 LYS 32 -10.190 -31.223 -31.223 215 2HB LYS 32 HB1 LYS 32 -9.354 -29.671 -29.671 216 1HG LYS 32 HG2 LYS 32 -11.210 -28.490 -28.490 217 2HG LYS 32 HG1 LYS 32 -11.884 -29.885 -29.885 218 1HD LYS 32 HD2 LYS 32 -12.765 -30.806 -30.806 219 2HD LYS 32 HD1 LYS 32 -11.633 -29.933 -29.933 220 1HE LYS 32 HE2 LYS 32 -12.882 -27.967 -27.967 221 2HE LYS 32 HE1 LYS 32 -13.584 -28.353 -28.353 222 1HZ LYS 32 HZ1 LYS 32 -14.094 -30.149 -30.149 223 2HZ LYS 32 HZ3 LYS 32 -14.970 -28.701 -28.701 224 3HZ LYS 32 HZ2 LYS 32 -15.064 -29.831 -29.831 225 HA PRO 33 HA PRO 33 -5.841 -29.093 -29.093 226 1HB PRO 33 HB2 PRO 33 -6.373 -26.929 -26.929 227 2HB PRO 33 HB1 PRO 33 -6.387 -28.597 -28.597 228 1HG PRO 33 HG2 PRO 33 -8.662 -26.833 -26.833 229 2HG PRO 33 HG1 PRO 33 -8.538 -27.985 -27.985 230 1HD PRO 33 HD2 PRO 33 -9.868 -28.511 -28.511 231 2HD PRO 33 HD1 PRO 33 -9.120 -29.769 -29.769 232 H GLY 34 HN GLY 34 -4.766 -26.738 -26.738 233 1HA GLY 34 HA2 GLY 34 -5.700 -24.504 -24.504 234 2HA GLY 34 HA1 GLY 34 -5.572 -25.614 -25.614 235 H VAL 35 HN VAL 35 -4.005 -23.186 -23.186 236 HA VAL 35 HA VAL 35 -1.274 -24.334 -24.334 237 HB VAL 35 HB VAL 35 -1.761 -22.533 -22.533 238 1HG1 VAL 35 HG13 VAL 35 -3.126 -21.422 -21.422 239 2HG1 VAL 35 HG12 VAL 35 -2.426 -20.267 -20.267 240 3HG1 VAL 35 HG11 VAL 35 -3.642 -21.420 -21.420 241 1HG2 VAL 35 HG22 VAL 35 0.423 -22.419 -22.419 242 2HG2 VAL 35 HG21 VAL 35 -0.115 -20.902 -20.902 243 3HG2 VAL 35 HG23 VAL 35 -0.354 -21.192 -21.192 244 H ILE 36 HN ILE 36 -0.052 -24.598 -24.598 245 HA ILE 36 HA ILE 36 -0.949 -23.255 -23.255 246 HB ILE 36 HB ILE 36 0.644 -25.709 -25.709 247 1HG1 ILE 36 HG12 ILE 36 -1.813 -25.107 -25.107 248 2HG1 ILE 36 HG11 ILE 36 -1.714 -26.067 -26.067 249 1HG2 ILE 36 HG22 ILE 36 0.530 -24.343 -24.343 250 2HG2 ILE 36 HG21 ILE 36 1.081 -26.000 -26.000 251 3HG2 ILE 36 HG23 ILE 36 1.973 -24.658 -24.658 252 1HD1 ILE 36 HD13 ILE 36 0.101 -27.329 -27.329 253 2HD1 ILE 36 HD12 ILE 36 -1.175 -26.851 -26.851 254 3HD1 ILE 36 HD11 ILE 36 -1.558 -27.859 -27.859 255 H PHE 37 HN PHE 37 0.350 -21.656 -21.656 256 HA PHE 37 HA PHE 37 2.888 -20.986 -20.986 257 1HB PHE 37 HB2 PHE 37 1.227 -19.672 -19.672 258 2HB PHE 37 HB1 PHE 37 2.720 -18.985 -18.985 259 HD1 PHE 37 HD1 PHE 37 -0.513 -20.424 -20.424 260 HD2 PHE 37 HD2 PHE 37 2.560 -17.460 -17.460 261 HE1 PHE 37 HE1 PHE 37 -1.781 -19.442 -19.442 262 HE2 PHE 37 HE2 PHE 37 1.283 -16.483 -16.483 263 HZ PHE 37 HZ PHE 37 -0.889 -17.468 -17.468 264 H LEU 38 HN LEU 38 4.893 -21.416 -21.416 265 HA LEU 38 HA LEU 38 4.877 -22.842 -22.842 266 1HB LEU 38 HB2 LEU 38 6.910 -22.503 -22.503 267 2HB LEU 38 HB1 LEU 38 7.229 -23.403 -23.403 268 HG LEU 38 HG LEU 38 5.115 -24.005 -24.005 269 1HD1 LEU 38 HD11 LEU 38 7.609 -24.711 -24.711 270 2HD1 LEU 38 HD13 LEU 38 7.252 -25.847 -25.847 271 3HD1 LEU 38 HD12 LEU 38 6.369 -25.946 -25.946 272 1HD2 LEU 38 HD21 LEU 38 5.280 -24.671 -24.671 273 2HD2 LEU 38 HD23 LEU 38 3.911 -24.796 -24.796 274 3HD2 LEU 38 HD22 LEU 38 5.114 -26.085 -26.085 275 H THR 39 HN THR 39 5.375 -21.649 -21.649 276 HA THR 39 HA THR 39 6.602 -18.981 -18.981 277 HB THR 39 HB THR 39 5.806 -18.662 -18.662 278 HG1 THR 39 HG1 THR 39 6.108 -20.202 -20.202 279 1HG2 THR 39 HG23 THR 39 4.125 -19.745 -19.745 280 2HG2 THR 39 HG22 THR 39 3.683 -20.574 -20.574 281 3HG2 THR 39 HG21 THR 39 3.632 -18.812 -18.812 282 H LYS 40 HN LYS 40 8.598 -18.405 -18.405 283 HA LYS 40 HA LYS 40 10.650 -20.411 -20.411 284 1HB LYS 40 HB2 LYS 40 10.585 -17.772 -17.772 285 2HB LYS 40 HB1 LYS 40 10.907 -17.750 -17.750 286 1HG LYS 40 HG2 LYS 40 12.700 -19.625 -19.625 287 2HG LYS 40 HG1 LYS 40 12.641 -18.647 -18.647 288 1HD LYS 40 HD2 LYS 40 13.227 -16.651 -16.651 289 2HD LYS 40 HD1 LYS 40 13.042 -17.476 -17.476 290 1HE LYS 40 HE2 LYS 40 14.951 -18.929 -18.929 291 2HE LYS 40 HE1 LYS 40 15.107 -18.196 -18.196 292 1HZ LYS 40 HZ3 LYS 40 15.019 -16.477 -16.477 293 2HZ LYS 40 HZ2 LYS 40 16.477 -17.245 -17.245 294 3HZ LYS 40 HZ1 LYS 40 15.739 -16.178 -16.178 295 H LYS 41 HN LYS 41 8.495 -19.038 -19.038 296 HA LYS 41 HA LYS 41 9.999 -19.792 -19.792 297 1HB LYS 41 HB2 LYS 41 7.613 -18.439 -18.439 298 2HB LYS 41 HB1 LYS 41 7.141 -19.738 -19.738 299 1HG LYS 41 HG2 LYS 41 9.558 -18.488 -18.488 300 2HG LYS 41 HG1 LYS 41 8.323 -17.261 -17.261 301 1HD LYS 41 HD2 LYS 41 6.734 -18.506 -18.506 302 2HD LYS 41 HD1 LYS 41 7.896 -19.817 -19.817 303 1HE LYS 41 HE2 LYS 41 7.743 -18.107 -18.107 304 2HE LYS 41 HE1 LYS 41 9.368 -18.428 -18.428 305 1HZ LYS 41 HZ1 LYS 41 7.633 -16.316 -16.316 306 2HZ LYS 41 HZ3 LYS 41 8.655 -15.999 -15.999 307 3HZ LYS 41 HZ2 LYS 41 9.313 -16.502 -16.502 308 H GLY 42 HN GLY 42 8.382 -21.645 -21.645 309 1HA GLY 42 HA2 GLY 42 8.375 -24.057 -24.057 310 2HA GLY 42 HA1 GLY 42 8.478 -24.008 -24.008 311 H ARG 43 HN ARG 43 6.221 -22.776 -22.776 312 HA ARG 43 HA ARG 43 4.000 -24.196 -24.196 313 1HB ARG 43 HB2 ARG 43 4.630 -21.623 -21.623 314 2HB ARG 43 HB1 ARG 43 3.479 -21.350 -21.350 315 1HG ARG 43 HG2 ARG 43 1.846 -22.815 -22.815 316 2HG ARG 43 HG1 ARG 43 2.997 -23.104 -23.104 317 1HD ARG 43 HD2 ARG 43 2.627 -20.246 -20.246 318 2HD ARG 43 HD1 ARG 43 1.111 -21.051 -21.051 319 HE ARG 43 HE ARG 43 3.103 -22.075 -22.075 320 1HH1 ARG 43 HH11 ARG 43 0.538 -20.465 -20.465 321 2HH1 ARG 43 HH12 ARG 43 1.220 -19.186 -19.186 322 1HH2 ARG 43 HH21 ARG 43 4.476 -19.814 -19.814 323 2HH2 ARG 43 HH22 ARG 43 3.450 -18.816 -18.816 324 H GLN 44 HN GLN 44 1.880 -23.644 -23.644 325 HA GLN 44 HA GLN 44 2.502 -23.169 -23.169 326 1HB GLN 44 HB2 GLN 44 1.103 -25.642 -25.642 327 2HB GLN 44 HB1 GLN 44 1.492 -25.299 -25.299 328 1HG GLN 44 HG2 GLN 44 3.949 -25.098 -25.098 329 2HG GLN 44 HG1 GLN 44 3.356 -25.980 -25.980 330 1HE2 GLN 44 HE21 GLN 44 3.761 -28.176 -28.176 331 2HE2 GLN 44 HE22 GLN 44 3.647 -29.040 -29.040 332 H VAL 45 HN VAL 45 0.853 -22.051 -22.051 333 HA VAL 45 HA VAL 45 -1.704 -21.740 -21.740 334 HB VAL 45 HB VAL 45 -0.128 -20.050 -20.050 335 1HG1 VAL 45 HG13 VAL 45 -3.011 -19.730 -19.730 336 2HG1 VAL 45 HG12 VAL 45 -2.059 -18.422 -18.422 337 3HG1 VAL 45 HG11 VAL 45 -2.406 -19.868 -19.868 338 1HG2 VAL 45 HG22 VAL 45 -0.818 -20.035 -20.035 339 2HG2 VAL 45 HG21 VAL 45 0.592 -19.367 -19.367 340 3HG2 VAL 45 HG23 VAL 45 -0.925 -18.468 -18.468 341 H CYS 46 HN CYS 46 -3.709 -21.893 -21.893 342 HA CYS 46 HA CYS 46 -3.417 -23.512 -23.512 343 1HB CYS 46 HB2 CYS 46 -5.592 -23.201 -23.201 344 2HB CYS 46 HB1 CYS 46 -5.819 -24.123 -24.123 345 H ALA 47 HN ALA 47 -4.051 -22.566 -22.566 346 HA ALA 47 HA ALA 47 -5.948 -20.251 -20.251 347 1HB ALA 47 HB2 ALA 47 -3.246 -20.533 -20.533 348 2HB ALA 47 HB1 ALA 47 -4.420 -19.379 -19.379 349 3HB ALA 47 HB3 ALA 47 -3.843 -19.231 -19.231 350 H LYS 48 HN LYS 48 -7.201 -19.963 -19.963 351 HA LYS 48 HA LYS 48 -7.858 -22.445 -22.445 352 1HB LYS 48 HB2 LYS 48 -8.943 -19.820 -19.820 353 2HB LYS 48 HB1 LYS 48 -9.034 -20.166 -20.166 354 1HG LYS 48 HG2 LYS 48 -10.707 -21.643 -21.643 355 2HG LYS 48 HG1 LYS 48 -9.773 -22.503 -22.503 356 1HD LYS 48 HD2 LYS 48 -11.740 -21.684 -21.684 357 2HD LYS 48 HD1 LYS 48 -10.414 -20.640 -20.640 358 1HE LYS 48 HE2 LYS 48 -11.103 -18.877 -18.877 359 2HE LYS 48 HE1 LYS 48 -12.191 -19.950 -19.950 360 1HZ LYS 48 HZ3 LYS 48 -13.298 -20.354 -20.354 361 2HZ LYS 48 HZ2 LYS 48 -12.447 -18.995 -18.995 362 3HZ LYS 48 HZ1 LYS 48 -13.566 -18.836 -18.836 363 HA PRO 49 HA PRO 49 -5.613 -21.883 -21.883 364 1HB PRO 49 HB2 PRO 49 -7.469 -21.868 -21.868 365 2HB PRO 49 HB1 PRO 49 -7.029 -23.332 -23.332 366 1HG PRO 49 HG2 PRO 49 -9.393 -21.543 -21.543 367 2HG PRO 49 HG1 PRO 49 -9.296 -23.306 -23.306 368 1HD PRO 49 HD2 PRO 49 -9.420 -21.683 -21.683 369 2HD PRO 49 HD1 PRO 49 -8.626 -23.271 -23.271 370 H SER 50 HN SER 50 -8.361 -19.681 -19.681 371 HA SER 50 HA SER 50 -6.671 -17.487 -17.487 372 1HB SER 50 HB2 SER 50 -9.571 -17.916 -17.916 373 2HB SER 50 HB1 SER 50 -8.398 -16.849 -16.849 374 HG SER 50 HG SER 50 -7.632 -18.470 -18.470 375 H GLY 51 HN GLY 51 -7.256 -17.988 -17.988 376 1HA GLY 51 HA2 GLY 51 -9.568 -16.498 -16.498 377 2HA GLY 51 HA1 GLY 51 -8.211 -16.985 -16.985 378 HA PRO 52 HA PRO 52 -8.099 -12.405 -12.405 379 1HB PRO 52 HB2 PRO 52 -9.465 -11.200 -11.200 380 2HB PRO 52 HB1 PRO 52 -10.231 -11.692 -11.692 381 1HG PRO 52 HG2 PRO 52 -10.177 -13.096 -13.096 382 2HG PRO 52 HG1 PRO 52 -11.527 -12.871 -12.871 383 1HD PRO 52 HD2 PRO 52 -10.147 -15.189 -15.189 384 2HD PRO 52 HD1 PRO 52 -10.829 -14.593 -14.593 385 H GLY 53 HN GLY 53 -5.930 -12.304 -12.304 386 1HA GLY 53 HA2 GLY 53 -4.488 -11.118 -11.118 387 2HA GLY 53 HA1 GLY 53 -5.301 -12.080 -12.080 388 H VAL 54 HN VAL 54 -5.312 -14.538 -14.538 389 HA VAL 54 HA VAL 54 -2.761 -15.621 -15.621 390 HB VAL 54 HB VAL 54 -4.957 -16.568 -16.568 391 1HG1 VAL 54 HG11 VAL 54 -2.592 -17.617 -17.617 392 2HG1 VAL 54 HG13 VAL 54 -2.909 -18.326 -18.326 393 3HG1 VAL 54 HG12 VAL 54 -3.963 -18.706 -18.706 394 1HG2 VAL 54 HG21 VAL 54 -5.418 -16.126 -16.126 395 2HG2 VAL 54 HG23 VAL 54 -5.824 -17.730 -17.730 396 3HG2 VAL 54 HG22 VAL 54 -4.343 -17.490 -17.490 397 H GLN 55 HN GLN 55 -4.060 -14.633 -14.633 398 HA GLN 55 HA GLN 55 -1.717 -15.427 -15.427 399 1HB GLN 55 HB2 GLN 55 -4.212 -14.748 -14.748 400 2HB GLN 55 HB1 GLN 55 -3.493 -13.145 -13.145 401 1HG GLN 55 HG2 GLN 55 -2.913 -13.811 -13.811 402 2HG GLN 55 HG1 GLN 55 -1.659 -14.762 -14.762 403 1HE2 GLN 55 HE21 GLN 55 -2.315 -17.063 -17.063 404 2HE2 GLN 55 HE22 GLN 55 -3.447 -17.865 -17.865 405 H ASP 56 HN ASP 56 -2.713 -12.426 -12.426 406 HA ASP 56 HA ASP 56 -0.544 -10.797 -10.797 407 1HB ASP 56 HB2 ASP 56 -2.709 -10.740 -10.740 408 2HB ASP 56 HB1 ASP 56 -1.276 -9.851 -9.851 409 H CYS 57 HN CYS 57 -0.931 -13.056 -13.056 410 HA CYS 57 HA CYS 57 1.515 -12.367 -12.367 411 1HB CYS 57 HB2 CYS 57 -0.423 -13.641 -13.641 412 2HB CYS 57 HB1 CYS 57 -0.019 -14.987 -14.987 413 H MET 58 HN MET 58 0.680 -14.913 -14.913 414 HA MET 58 HA MET 58 3.320 -16.027 -16.027 415 1HB MET 58 HB2 MET 58 1.037 -15.897 -15.897 416 2HB MET 58 HB1 MET 58 2.378 -17.039 -17.039 417 1HG MET 58 HG2 MET 58 1.545 -18.291 -18.291 418 2HG MET 58 HG1 MET 58 0.840 -16.889 -16.889 419 1HE MET 58 HE2 MET 58 0.674 -19.577 -19.577 420 2HE MET 58 HE1 MET 58 -0.874 -19.423 -19.423 421 3HE MET 58 HE3 MET 58 0.438 -18.290 -18.290 422 H LYS 59 HN LYS 59 1.791 -13.194 -13.194 423 HA LYS 59 HA LYS 59 3.572 -12.804 -12.804 424 1HB LYS 59 HB2 LYS 59 1.291 -11.657 -11.657 425 2HB LYS 59 HB1 LYS 59 2.502 -10.430 -10.430 426 1HG LYS 59 HG2 LYS 59 1.878 -9.808 -9.808 427 2HG LYS 59 HG1 LYS 59 3.262 -10.851 -10.851 428 1HD LYS 59 HD2 LYS 59 1.818 -12.725 -12.725 429 2HD LYS 59 HD1 LYS 59 0.396 -11.837 -11.837 430 1HE LYS 59 HE2 LYS 59 1.915 -10.416 -10.416 431 2HE LYS 59 HE1 LYS 59 1.236 -11.963 -11.963 432 1HZ LYS 59 HZ2 LYS 59 -0.884 -11.303 -11.303 433 2HZ LYS 59 HZ1 LYS 59 -0.222 -9.789 -9.789 434 3HZ LYS 59 HZ3 LYS 59 -0.424 -10.231 -10.231 435 H LYS 60 HN LYS 60 3.562 -11.500 -11.500 436 HA LYS 60 HA LYS 60 6.056 -10.071 -10.071 437 1HB LYS 60 HB2 LYS 60 4.355 -9.562 -9.562 438 2HB LYS 60 HB1 LYS 60 4.530 -11.172 -11.172 439 1HG LYS 60 HG2 LYS 60 5.814 -9.613 -9.613 440 2HG LYS 60 HG1 LYS 60 6.941 -10.640 -10.640 441 1HD LYS 60 HD2 LYS 60 7.722 -8.908 -8.908 442 2HD LYS 60 HD1 LYS 60 6.122 -8.188 -8.188 443 1HE LYS 60 HE2 LYS 60 6.301 -6.997 -6.997 444 2HE LYS 60 HE1 LYS 60 7.511 -8.112 -8.112 445 1HZ LYS 60 HZ2 LYS 60 7.961 -6.436 -6.436 446 2HZ LYS 60 HZ1 LYS 60 8.434 -5.959 -5.959 447 3HZ LYS 60 HZ3 LYS 60 9.116 -7.342 -7.342 448 H LEU 61 HN LEU 61 5.231 -13.417 -13.417 449 HA LEU 61 HA LEU 61 7.722 -14.193 -14.193 450 1HB LEU 61 HB2 LEU 61 5.283 -15.291 -15.291 451 2HB LEU 61 HB1 LEU 61 6.098 -16.090 -16.090 452 HG LEU 61 HG LEU 61 6.457 -17.556 -17.556 453 1HD1 LEU 61 HD12 LEU 61 8.846 -15.689 -15.689 454 2HD1 LEU 61 HD11 LEU 61 8.861 -17.338 -17.338 455 3HD1 LEU 61 HD13 LEU 61 8.559 -17.048 -17.048 456 1HD2 LEU 61 HD23 LEU 61 6.859 -15.032 -15.032 457 2HD2 LEU 61 HD22 LEU 61 5.657 -16.301 -16.301 458 3HD2 LEU 61 HD21 LEU 61 7.354 -16.612 -16.612 459 H LYS 62 HN LYS 62 7.012 -13.192 -13.192 460 HA LYS 62 HA LYS 62 9.639 -14.081 -14.081 461 1HB LYS 62 HB2 LYS 62 7.304 -15.641 -15.641 462 2HB LYS 62 HB1 LYS 62 7.655 -14.885 -14.885 463 1HG LYS 62 HG2 LYS 62 9.639 -16.012 -16.012 464 2HG LYS 62 HG1 LYS 62 9.975 -16.018 -16.018 465 1HD LYS 62 HD2 LYS 62 9.294 -18.170 -18.170 466 2HD LYS 62 HD1 LYS 62 7.661 -17.572 -17.572 467 1HE LYS 62 HE2 LYS 62 8.330 -17.550 -17.550 468 2HE LYS 62 HE1 LYS 62 9.684 -18.584 -18.584 469 1HZ LYS 62 HZ2 LYS 62 6.944 -19.141 -19.141 470 2HZ LYS 62 HZ1 LYS 62 7.431 -19.683 -19.683 471 3HZ LYS 62 HZ3 LYS 62 8.257 -20.207 -20.207 472 HA PRO 63 HA PRO 63 8.219 -10.058 -10.058 473 1HB PRO 63 HB2 PRO 63 10.684 -8.876 -8.876 474 2HB PRO 63 HB1 PRO 63 9.551 -8.927 -8.927 475 1HG PRO 63 HG2 PRO 63 11.938 -10.624 -10.624 476 2HG PRO 63 HG1 PRO 63 11.356 -9.967 -9.967 477 1HD PRO 63 HD2 PRO 63 10.970 -12.556 -12.556 478 2HD PRO 63 HD1 PRO 63 9.879 -11.691 -11.691 479 H TYR 64 HN TYR 64 7.931 -10.637 -10.637 480 HA TYR 64 HA TYR 64 10.359 -10.596 -10.596 481 1HB TYR 64 HB2 TYR 64 8.455 -12.866 -12.866 482 2HB TYR 64 HB1 TYR 64 9.158 -12.674 -12.674 483 HD1 TYR 64 HD1 TYR 64 11.651 -12.654 -12.654 484 HD2 TYR 64 HD2 TYR 64 9.764 -13.647 -13.647 485 HE1 TYR 64 HE1 TYR 64 13.763 -13.682 -13.682 486 HE2 TYR 64 HE2 TYR 64 11.876 -14.675 -14.675 487 HH TYR 64 HH TYR 64 14.842 -14.511 -14.511 488 H SER 65 HN SER 65 7.876 -8.891 -8.891 489 HA SER 65 HA SER 65 6.396 -7.611 -7.611 490 1HB SER 65 HB2 SER 65 8.617 -8.562 -8.562 491 2HB SER 65 HB1 SER 65 7.170 -8.132 -8.132 492 HG SER 65 HG SER 65 7.239 -6.104 -6.104 493 H ILE 66 HN ILE 66 4.390 -8.624 -8.624 494 HA ILE 66 HA ILE 66 2.567 -10.041 -10.041 495 HB ILE 66 HB ILE 66 3.932 -10.044 -10.044 496 1HG1 ILE 66 HG12 ILE 66 2.032 -7.955 -7.955 497 2HG1 ILE 66 HG11 ILE 66 3.044 -7.822 -7.822 498 1HG2 ILE 66 HG22 ILE 66 1.292 -10.786 -10.786 499 2HG2 ILE 66 HG21 ILE 66 1.206 -9.645 -9.645 500 3HG2 ILE 66 HG23 ILE 66 2.043 -11.184 -11.184 501 1HD1 ILE 66 HD13 ILE 66 5.054 -8.059 -8.059 502 2HD1 ILE 66 HD12 ILE 66 3.931 -7.842 -7.842 503 3HD1 ILE 66 HD11 ILE 66 4.147 -6.555 -6.555 Start of MODEL 3 1 1H HIS 1 HT3 HIS 1 5.446 -43.958 -43.958 2 2H HIS 1 HT2 HIS 1 4.557 -45.403 -45.403 3 3H HIS 1 HT1 HIS 1 4.820 -44.509 -44.509 4 HA HIS 1 HA HIS 1 2.626 -43.977 -43.977 5 1HB HIS 1 HB2 HIS 1 2.185 -43.407 -43.407 6 2HB HIS 1 HB1 HIS 1 2.612 -45.086 -45.086 7 HD1 HIS 1 HD1 HIS 1 4.838 -45.950 -45.950 8 HD2 HIS 1 HD2 HIS 1 4.300 -41.866 -41.866 9 HE1 HIS 1 HE1 HIS 1 6.684 -45.223 -45.223 10 H PHE 2 HN PHE 2 4.616 -42.376 -42.376 11 HA PHE 2 HA PHE 2 5.193 -39.938 -39.938 12 1HB PHE 2 HB2 PHE 2 5.720 -41.152 -41.152 13 2HB PHE 2 HB1 PHE 2 4.783 -39.726 -39.726 14 HD1 PHE 2 HD1 PHE 2 5.476 -37.477 -37.477 15 HD2 PHE 2 HD2 PHE 2 8.008 -40.939 -40.939 16 HE1 PHE 2 HE1 PHE 2 7.467 -36.049 -36.049 17 HE2 PHE 2 HE2 PHE 2 9.998 -39.511 -39.511 18 HZ PHE 2 HZ PHE 2 9.727 -37.067 -37.067 19 H ALA 3 HN ALA 3 3.503 -38.772 -38.772 20 HA ALA 3 HA ALA 3 0.830 -38.644 -38.644 21 1HB ALA 3 HB3 ALA 3 2.529 -36.954 -36.954 22 2HB ALA 3 HB2 ALA 3 0.842 -36.552 -36.552 23 3HB ALA 3 HB1 ALA 3 1.254 -38.093 -38.093 24 H ALA 4 HN ALA 4 -0.046 -36.220 -36.220 25 HA ALA 4 HA ALA 4 1.733 -34.997 -34.997 26 1HB ALA 4 HB2 ALA 4 -0.372 -36.584 -36.584 27 2HB ALA 4 HB1 ALA 4 -1.225 -35.050 -35.050 28 3HB ALA 4 HB3 ALA 4 0.058 -35.210 -35.210 29 H ASP 5 HN ASP 5 1.122 -32.711 -32.711 30 HA ASP 5 HA ASP 5 0.321 -31.299 -31.299 31 1HB ASP 5 HB2 ASP 5 1.215 -30.197 -30.197 32 2HB ASP 5 HB1 ASP 5 1.296 -29.396 -29.396 33 H CYS 6 HN CYS 6 -1.926 -31.306 -31.306 34 HA CYS 6 HA CYS 6 -3.426 -29.882 -29.882 35 1HB CYS 6 HB2 CYS 6 -4.043 -32.631 -32.631 36 2HB CYS 6 HB1 CYS 6 -5.160 -31.707 -31.707 37 H CYS 7 HN CYS 7 -5.621 -29.212 -29.212 38 HA CYS 7 HA CYS 7 -5.881 -29.259 -29.259 39 1HB CYS 7 HB2 CYS 7 -4.861 -27.108 -27.108 40 2HB CYS 7 HB1 CYS 7 -6.444 -26.630 -26.630 41 H THR 8 HN THR 8 -8.045 -29.027 -29.027 42 HA THR 8 HA THR 8 -10.094 -29.236 -29.236 43 HB THR 8 HB THR 8 -11.404 -30.327 -30.327 44 HG1 THR 8 HG1 THR 8 -9.483 -29.246 -29.246 45 1HG2 THR 8 HG22 THR 8 -9.482 -31.635 -31.635 46 2HG2 THR 8 HG21 THR 8 -8.506 -31.073 -31.073 47 3HG2 THR 8 HG23 THR 8 -9.909 -32.102 -32.102 48 H SER 9 HN SER 9 -8.917 -27.122 -27.122 49 HA SER 9 HA SER 9 -11.153 -25.222 -25.222 50 1HB SER 9 HB2 SER 9 -9.984 -25.641 -25.641 51 2HB SER 9 HB1 SER 9 -11.514 -24.880 -24.880 52 HG SER 9 HG SER 9 -11.339 -27.250 -27.250 53 H TYR 10 HN TYR 10 -10.392 -23.145 -23.145 54 HA TYR 10 HA TYR 10 -7.474 -22.700 -22.700 55 1HB TYR 10 HB2 TYR 10 -9.813 -21.125 -21.125 56 2HB TYR 10 HB1 TYR 10 -8.131 -20.617 -20.617 57 HD1 TYR 10 HD1 TYR 10 -6.913 -23.402 -23.402 58 HD2 TYR 10 HD2 TYR 10 -10.295 -21.513 -21.513 59 HE1 TYR 10 HE1 TYR 10 -6.645 -24.872 -24.872 60 HE2 TYR 10 HE2 TYR 10 -10.026 -22.982 -22.982 61 HH TYR 10 HH TYR 10 -8.930 -24.709 -24.709 62 H ILE 11 HN ILE 11 -7.253 -20.037 -20.037 63 HA ILE 11 HA ILE 11 -7.604 -19.897 -19.897 64 HB ILE 11 HB ILE 11 -6.305 -17.934 -17.934 65 1HG1 ILE 11 HG12 ILE 11 -7.931 -16.810 -16.810 66 2HG1 ILE 11 HG11 ILE 11 -6.232 -16.495 -16.495 67 1HG2 ILE 11 HG22 ILE 11 -5.311 -20.094 -20.094 68 2HG2 ILE 11 HG21 ILE 11 -5.541 -19.291 -19.291 69 3HG2 ILE 11 HG23 ILE 11 -4.495 -18.566 -18.566 70 1HD1 ILE 11 HD12 ILE 11 -6.390 -18.521 -18.521 71 2HD1 ILE 11 HD11 ILE 11 -8.136 -18.320 -18.320 72 3HD1 ILE 11 HD13 ILE 11 -7.148 -17.012 -17.012 73 H SER 12 HN SER 12 -8.814 -18.177 -18.177 74 HA SER 12 HA SER 12 -11.366 -17.536 -17.536 75 1HB SER 12 HB2 SER 12 -11.617 -16.916 -16.916 76 2HB SER 12 HB1 SER 12 -12.080 -18.448 -18.448 77 HG SER 12 HG SER 12 -10.324 -18.142 -18.142 78 H GLN 13 HN GLN 13 -8.448 -16.093 -16.093 79 HA GLN 13 HA GLN 13 -9.674 -13.370 -13.370 80 1HB GLN 13 HB2 GLN 13 -7.989 -12.683 -12.683 81 2HB GLN 13 HB1 GLN 13 -9.089 -13.914 -13.914 82 1HG GLN 13 HG2 GLN 13 -7.340 -15.261 -15.261 83 2HG GLN 13 HG1 GLN 13 -6.904 -15.243 -15.243 84 1HE2 GLN 13 HE21 GLN 13 -5.143 -15.082 -15.082 85 2HE2 GLN 13 HE22 GLN 13 -4.216 -13.679 -13.679 86 H SER 14 HN SER 14 -7.382 -11.880 -11.880 87 HA SER 14 HA SER 14 -6.427 -12.159 -12.159 88 1HB SER 14 HB2 SER 14 -6.481 -10.183 -10.183 89 2HB SER 14 HB1 SER 14 -4.894 -10.789 -10.789 90 HG SER 14 HG SER 14 -4.390 -9.462 -9.462 91 H ILE 15 HN ILE 15 -4.576 -13.118 -13.118 92 HA ILE 15 HA ILE 15 -3.323 -15.287 -15.287 93 HB ILE 15 HB ILE 15 -3.011 -13.905 -13.905 94 1HG1 ILE 15 HG12 ILE 15 -4.890 -15.493 -15.493 95 2HG1 ILE 15 HG11 ILE 15 -3.801 -16.044 -16.044 96 1HG2 ILE 15 HG22 ILE 15 -0.745 -14.723 -14.723 97 2HG2 ILE 15 HG21 ILE 15 -1.411 -16.348 -16.348 98 3HG2 ILE 15 HG23 ILE 15 -1.232 -15.328 -15.328 99 1HD1 ILE 15 HD13 ILE 15 -2.560 -17.247 -17.247 100 2HD1 ILE 15 HD12 ILE 15 -4.123 -17.077 -17.077 101 3HD1 ILE 15 HD11 ILE 15 -4.000 -17.979 -17.979 102 HA PRO 16 HA PRO 16 -0.002 -12.863 -12.863 103 1HB PRO 16 HB2 PRO 16 1.570 -14.941 -14.941 104 2HB PRO 16 HB1 PRO 16 0.075 -14.492 -14.492 105 1HG PRO 16 HG2 PRO 16 0.611 -16.741 -16.741 106 2HG PRO 16 HG1 PRO 16 -0.495 -16.651 -16.651 107 1HD PRO 16 HD2 PRO 16 -1.211 -16.445 -16.445 108 2HD PRO 16 HD1 PRO 16 -2.212 -15.956 -15.956 109 H CYS 17 HN CYS 17 0.246 -12.642 -12.642 110 HA CYS 17 HA CYS 17 2.306 -14.094 -14.094 111 1HB CYS 17 HB2 CYS 17 1.460 -11.225 -11.225 112 2HB CYS 17 HB1 CYS 17 2.033 -12.393 -12.393 113 H SER 18 HN SER 18 2.426 -11.415 -11.415 114 HA SER 18 HA SER 18 5.063 -10.453 -10.453 115 1HB SER 18 HB2 SER 18 2.932 -9.962 -9.962 116 2HB SER 18 HB1 SER 18 4.475 -9.979 -9.979 117 HG SER 18 HG SER 18 4.871 -8.122 -8.122 118 H LEU 19 HN LEU 19 4.258 -13.463 -13.463 119 HA LEU 19 HA LEU 19 6.887 -13.721 -13.721 120 1HB LEU 19 HB2 LEU 19 4.184 -14.019 -14.019 121 2HB LEU 19 HB1 LEU 19 5.027 -15.562 -15.562 122 HG LEU 19 HG LEU 19 6.741 -14.649 -14.649 123 1HD1 LEU 19 HD12 LEU 19 5.699 -12.010 -12.010 124 2HD1 LEU 19 HD11 LEU 19 6.625 -12.087 -12.087 125 3HD1 LEU 19 HD13 LEU 19 7.352 -12.623 -12.623 126 1HD2 LEU 19 HD23 LEU 19 4.277 -14.801 -14.801 127 2HD2 LEU 19 HD22 LEU 19 5.532 -14.047 -14.047 128 3HD2 LEU 19 HD21 LEU 19 4.404 -13.044 -13.044 129 H MET 20 HN MET 20 5.292 -14.582 -14.582 130 HA MET 20 HA MET 20 5.931 -17.485 -17.485 131 1HB MET 20 HB2 MET 20 4.815 -16.011 -16.011 132 2HB MET 20 HB1 MET 20 4.547 -17.679 -17.679 133 1HG MET 20 HG2 MET 20 3.617 -15.388 -15.388 134 2HG MET 20 HG1 MET 20 2.636 -15.956 -15.956 135 1HE MET 20 HE3 MET 20 0.786 -16.281 -16.281 136 2HE MET 20 HE2 MET 20 0.770 -17.542 -17.542 137 3HE MET 20 HE1 MET 20 0.445 -17.957 -17.957 138 H LYS 21 HN LYS 21 7.755 -18.280 -18.280 139 HA LYS 21 HA LYS 21 9.524 -16.456 -16.456 140 1HB LYS 21 HB2 LYS 21 11.244 -18.070 -18.070 141 2HB LYS 21 HB1 LYS 21 10.290 -17.695 -17.695 142 1HG LYS 21 HG2 LYS 21 9.861 -19.894 -19.894 143 2HG LYS 21 HG1 LYS 21 8.962 -19.832 -19.832 144 1HD LYS 21 HD2 LYS 21 10.722 -20.669 -20.669 145 2HD LYS 21 HD1 LYS 21 11.940 -19.979 -19.979 146 1HE LYS 21 HE2 LYS 21 10.426 -21.869 -21.869 147 2HE LYS 21 HE1 LYS 21 10.917 -22.651 -22.651 148 1HZ LYS 21 HZ3 LYS 21 13.151 -21.510 -21.510 149 2HZ LYS 21 HZ2 LYS 21 12.610 -21.310 -21.310 150 3HZ LYS 21 HZ1 LYS 21 12.781 -22.869 -22.869 151 H SER 22 HN SER 22 7.499 -19.298 -19.298 152 HA SER 22 HA SER 22 7.994 -19.252 -19.252 153 1HB SER 22 HB2 SER 22 9.931 -20.483 -20.483 154 2HB SER 22 HB1 SER 22 8.795 -21.661 -21.661 155 HG SER 22 HG SER 22 9.806 -22.114 -22.114 156 H TYR 23 HN TYR 23 5.947 -19.514 -19.514 157 HA TYR 23 HA TYR 23 3.972 -21.156 -21.156 158 1HB TYR 23 HB2 TYR 23 2.372 -19.955 -19.955 159 2HB TYR 23 HB1 TYR 23 3.588 -18.783 -18.783 160 HD1 TYR 23 HD1 TYR 23 2.562 -21.006 -21.006 161 HD2 TYR 23 HD2 TYR 23 4.946 -17.647 -17.647 162 HE1 TYR 23 HE1 TYR 23 3.081 -20.513 -20.513 163 HE2 TYR 23 HE2 TYR 23 5.464 -17.153 -17.153 164 HH TYR 23 HH TYR 23 4.825 -17.598 -17.598 165 H PHE 24 HN PHE 24 2.687 -22.795 -22.795 166 HA PHE 24 HA PHE 24 3.796 -23.651 -23.651 167 1HB PHE 24 HB2 PHE 24 4.462 -25.801 -25.801 168 2HB PHE 24 HB1 PHE 24 5.104 -24.661 -24.661 169 HD1 PHE 24 HD1 PHE 24 2.234 -26.969 -26.969 170 HD2 PHE 24 HD2 PHE 24 4.455 -24.754 -24.754 171 HE1 PHE 24 HE1 PHE 24 0.991 -28.118 -28.118 172 HE2 PHE 24 HE2 PHE 24 3.208 -25.907 -25.907 173 HZ PHE 24 HZ PHE 24 1.477 -27.589 -27.589 174 H GLU 25 HN GLU 25 2.350 -25.055 -25.055 175 HA GLU 25 HA GLU 25 -0.460 -24.878 -24.878 176 1HB GLU 25 HB2 GLU 25 -0.938 -25.464 -25.464 177 2HB GLU 25 HB1 GLU 25 0.358 -24.268 -24.268 178 1HG GLU 25 HG2 GLU 25 1.527 -25.742 -25.742 179 2HG GLU 25 HG1 GLU 25 1.707 -26.691 -26.691 180 H THR 26 HN THR 26 -1.769 -26.775 -26.775 181 HA THR 26 HA THR 26 -0.370 -29.101 -29.101 182 HB THR 26 HB THR 26 -2.695 -29.901 -29.901 183 HG1 THR 26 HG1 THR 26 -3.212 -28.621 -28.621 184 1HG2 THR 26 HG21 THR 26 -1.713 -27.245 -27.245 185 2HG2 THR 26 HG23 THR 26 -3.459 -27.443 -27.443 186 3HG2 THR 26 HG22 THR 26 -2.371 -28.548 -28.548 187 H SER 27 HN SER 27 -1.359 -31.350 -31.350 188 HA SER 27 HA SER 27 -0.584 -31.543 -31.543 189 1HB SER 27 HB2 SER 27 -1.474 -33.674 -33.674 190 2HB SER 27 HB1 SER 27 -0.531 -33.915 -33.915 191 HG SER 27 HG SER 27 0.229 -32.625 -32.625 192 H SER 28 HN SER 28 -2.013 -32.077 -32.077 193 HA SER 28 HA SER 28 -4.816 -31.522 -31.522 194 1HB SER 28 HB2 SER 28 -3.225 -32.902 -32.902 195 2HB SER 28 HB1 SER 28 -4.880 -32.319 -32.319 196 HG SER 28 HG SER 28 -2.511 -30.851 -30.851 197 H GLU 29 HN GLU 29 -2.998 -34.272 -34.272 198 HA GLU 29 HA GLU 29 -4.940 -36.334 -36.334 199 1HB GLU 29 HB2 GLU 29 -2.337 -36.339 -36.339 200 2HB GLU 29 HB1 GLU 29 -2.875 -36.567 -36.567 201 1HG GLU 29 HG2 GLU 29 -3.942 -38.611 -38.611 202 2HG GLU 29 HG1 GLU 29 -3.975 -38.271 -38.271 203 H CYS 30 HN CYS 30 -4.559 -34.062 -34.062 204 HA CYS 30 HA CYS 30 -5.979 -35.543 -35.543 205 1HB CYS 30 HB2 CYS 30 -4.845 -32.865 -32.865 206 2HB CYS 30 HB1 CYS 30 -6.227 -32.872 -32.872 207 H SER 31 HN SER 31 -8.185 -35.288 -35.288 208 HA SER 31 HA SER 31 -10.120 -34.984 -34.984 209 1HB SER 31 HB2 SER 31 -10.213 -36.177 -36.177 210 2HB SER 31 HB1 SER 31 -10.598 -34.594 -34.594 211 HG SER 31 HG SER 31 -12.447 -35.881 -35.881 212 H LYS 32 HN LYS 32 -8.398 -32.618 -32.618 213 HA LYS 32 HA LYS 32 -10.067 -30.479 -30.479 214 1HB LYS 32 HB2 LYS 32 -10.708 -31.333 -31.333 215 2HB LYS 32 HB1 LYS 32 -9.419 -30.210 -30.210 216 1HG LYS 32 HG2 LYS 32 -10.559 -28.426 -28.426 217 2HG LYS 32 HG1 LYS 32 -11.860 -29.552 -29.552 218 1HD LYS 32 HD2 LYS 32 -12.786 -28.582 -28.582 219 2HD LYS 32 HD1 LYS 32 -11.851 -29.851 -29.851 220 1HE LYS 32 HE2 LYS 32 -11.177 -27.938 -27.938 221 2HE LYS 32 HE1 LYS 32 -9.923 -28.031 -28.031 222 1HZ LYS 32 HZ3 LYS 32 -12.481 -26.601 -26.601 223 2HZ LYS 32 HZ2 LYS 32 -11.136 -25.820 -25.820 224 3HZ LYS 32 HZ1 LYS 32 -11.039 -26.467 -26.467 225 HA PRO 33 HA PRO 33 -5.859 -29.051 -29.051 226 1HB PRO 33 HB2 PRO 33 -6.454 -26.745 -26.745 227 2HB PRO 33 HB1 PRO 33 -6.426 -28.342 -28.342 228 1HG PRO 33 HG2 PRO 33 -8.745 -26.732 -26.732 229 2HG PRO 33 HG1 PRO 33 -8.590 -27.727 -27.727 230 1HD PRO 33 HD2 PRO 33 -9.901 -28.534 -28.534 231 2HD PRO 33 HD1 PRO 33 -9.131 -29.656 -29.656 232 H GLY 34 HN GLY 34 -5.045 -26.468 -26.468 233 1HA GLY 34 HA2 GLY 34 -6.119 -24.569 -24.569 234 2HA GLY 34 HA1 GLY 34 -5.700 -25.811 -25.811 235 H VAL 35 HN VAL 35 -4.542 -23.091 -23.091 236 HA VAL 35 HA VAL 35 -1.732 -23.778 -23.778 237 HB VAL 35 HB VAL 35 -3.392 -21.264 -21.264 238 1HG1 VAL 35 HG11 VAL 35 -0.405 -21.561 -21.561 239 2HG1 VAL 35 HG13 VAL 35 -1.103 -20.178 -20.178 240 3HG1 VAL 35 HG12 VAL 35 -1.451 -20.433 -20.433 241 1HG2 VAL 35 HG23 VAL 35 -1.906 -22.764 -22.764 242 2HG2 VAL 35 HG22 VAL 35 -3.561 -22.154 -22.154 243 3HG2 VAL 35 HG21 VAL 35 -2.208 -21.036 -21.036 244 H ILE 36 HN ILE 36 -0.383 -24.204 -24.204 245 HA ILE 36 HA ILE 36 -1.196 -23.095 -23.095 246 HB ILE 36 HB ILE 36 0.332 -25.494 -25.494 247 1HG1 ILE 36 HG12 ILE 36 -2.008 -24.926 -24.926 248 2HG1 ILE 36 HG11 ILE 36 -1.956 -25.939 -25.939 249 1HG2 ILE 36 HG22 ILE 36 0.461 -24.325 -24.325 250 2HG2 ILE 36 HG21 ILE 36 1.055 -25.923 -25.923 251 3HG2 ILE 36 HG23 ILE 36 1.812 -24.477 -24.477 252 1HD1 ILE 36 HD13 ILE 36 -0.050 -27.082 -27.082 253 2HD1 ILE 36 HD12 ILE 36 -1.357 -26.631 -26.631 254 3HD1 ILE 36 HD11 ILE 36 -1.683 -27.691 -27.691 255 H PHE 37 HN PHE 37 0.086 -21.535 -21.535 256 HA PHE 37 HA PHE 37 2.528 -20.699 -20.699 257 1HB PHE 37 HB2 PHE 37 0.903 -19.590 -19.590 258 2HB PHE 37 HB1 PHE 37 2.372 -18.819 -18.819 259 HD1 PHE 37 HD1 PHE 37 -1.083 -19.818 -19.818 260 HD2 PHE 37 HD2 PHE 37 2.396 -17.582 -17.582 261 HE1 PHE 37 HE1 PHE 37 -2.393 -18.706 -18.706 262 HE2 PHE 37 HE2 PHE 37 1.084 -16.470 -16.470 263 HZ PHE 37 HZ PHE 37 -1.311 -17.025 -17.025 264 H LEU 38 HN LEU 38 4.605 -20.954 -20.954 265 HA LEU 38 HA LEU 38 4.833 -22.586 -22.586 266 1HB LEU 38 HB2 LEU 38 5.853 -23.062 -23.062 267 2HB LEU 38 HB1 LEU 38 7.077 -21.899 -21.899 268 HG LEU 38 HG LEU 38 7.940 -24.010 -24.010 269 1HD1 LEU 38 HD12 LEU 38 7.933 -22.234 -22.234 270 2HD1 LEU 38 HD11 LEU 38 6.478 -22.981 -22.981 271 3HD1 LEU 38 HD13 LEU 38 7.994 -23.881 -23.881 272 1HD2 LEU 38 HD21 LEU 38 5.089 -24.605 -24.605 273 2HD2 LEU 38 HD23 LEU 38 6.408 -25.683 -25.683 274 3HD2 LEU 38 HD22 LEU 38 6.148 -25.279 -25.279 275 H THR 39 HN THR 39 5.387 -21.474 -21.474 276 HA THR 39 HA THR 39 6.426 -18.712 -18.712 277 HB THR 39 HB THR 39 5.720 -18.533 -18.533 278 HG1 THR 39 HG1 THR 39 6.225 -20.097 -20.097 279 1HG2 THR 39 HG21 THR 39 3.980 -19.437 -19.437 280 2HG2 THR 39 HG23 THR 39 3.747 -20.632 -20.632 281 3HG2 THR 39 HG22 THR 39 3.499 -18.920 -18.920 282 H LYS 40 HN LYS 40 8.449 -18.075 -18.075 283 HA LYS 40 HA LYS 40 10.592 -19.990 -19.990 284 1HB LYS 40 HB2 LYS 40 10.180 -17.184 -17.184 285 2HB LYS 40 HB1 LYS 40 11.220 -17.569 -17.569 286 1HG LYS 40 HG2 LYS 40 12.778 -18.749 -18.749 287 2HG LYS 40 HG1 LYS 40 11.710 -18.501 -18.501 288 1HD LYS 40 HD2 LYS 40 12.183 -16.221 -16.221 289 2HD LYS 40 HD1 LYS 40 12.649 -16.121 -16.121 290 1HE LYS 40 HE2 LYS 40 14.571 -16.019 -16.019 291 2HE LYS 40 HE1 LYS 40 14.751 -17.218 -17.218 292 1HZ LYS 40 HZ2 LYS 40 13.333 -17.889 -17.889 293 2HZ LYS 40 HZ1 LYS 40 15.026 -17.994 -17.994 294 3HZ LYS 40 HZ3 LYS 40 14.072 -18.936 -18.936 295 H LYS 41 HN LYS 41 8.522 -18.760 -18.760 296 HA LYS 41 HA LYS 41 10.190 -19.513 -19.513 297 1HB LYS 41 HB2 LYS 41 8.052 -17.963 -17.963 298 2HB LYS 41 HB1 LYS 41 7.195 -19.447 -19.447 299 1HG LYS 41 HG2 LYS 41 9.457 -19.070 -19.070 300 2HG LYS 41 HG1 LYS 41 8.428 -17.638 -17.638 301 1HD LYS 41 HD2 LYS 41 7.034 -20.262 -20.262 302 2HD LYS 41 HD1 LYS 41 7.938 -19.807 -19.807 303 1HE LYS 41 HE2 LYS 41 6.155 -18.521 -18.521 304 2HE LYS 41 HE1 LYS 41 6.570 -17.467 -17.467 305 1HZ LYS 41 HZ3 LYS 41 5.162 -19.997 -19.997 306 2HZ LYS 41 HZ2 LYS 41 4.266 -18.681 -18.681 307 3HZ LYS 41 HZ1 LYS 41 5.113 -18.543 -18.543 308 H GLY 42 HN GLY 42 8.596 -21.389 -21.389 309 1HA GLY 42 HA2 GLY 42 8.663 -23.794 -23.794 310 2HA GLY 42 HA1 GLY 42 8.848 -23.781 -23.781 311 H ARG 43 HN ARG 43 6.424 -22.612 -22.612 312 HA ARG 43 HA ARG 43 4.331 -24.152 -24.152 313 1HB ARG 43 HB2 ARG 43 4.848 -21.629 -21.629 314 2HB ARG 43 HB1 ARG 43 3.757 -21.277 -21.277 315 1HG ARG 43 HG2 ARG 43 2.694 -23.468 -23.468 316 2HG ARG 43 HG1 ARG 43 3.063 -22.125 -22.125 317 1HD ARG 43 HD2 ARG 43 1.810 -21.193 -21.193 318 2HD ARG 43 HD1 ARG 43 0.782 -22.345 -22.345 319 HE ARG 43 HE ARG 43 2.091 -20.208 -20.208 320 1HH1 ARG 43 HH11 ARG 43 -0.569 -22.177 -22.177 321 2HH1 ARG 43 HH12 ARG 43 -1.747 -20.957 -20.957 322 1HH2 ARG 43 HH21 ARG 43 0.511 -18.335 -18.335 323 2HH2 ARG 43 HH22 ARG 43 -1.136 -18.783 -18.783 324 H GLN 44 HN GLN 44 2.131 -23.699 -23.699 325 HA GLN 44 HA GLN 44 2.570 -23.101 -23.101 326 1HB GLN 44 HB2 GLN 44 1.523 -25.332 -25.332 327 2HB GLN 44 HB1 GLN 44 3.109 -25.450 -25.450 328 1HG GLN 44 HG2 GLN 44 1.694 -25.520 -25.520 329 2HG GLN 44 HG1 GLN 44 0.406 -26.056 -26.056 330 1HE2 GLN 44 HE21 GLN 44 1.331 -27.846 -27.846 331 2HE2 GLN 44 HE22 GLN 44 2.253 -29.070 -29.070 332 H VAL 45 HN VAL 45 0.760 -22.144 -22.144 333 HA VAL 45 HA VAL 45 -1.768 -22.217 -22.217 334 HB VAL 45 HB VAL 45 -0.420 -20.117 -20.117 335 1HG1 VAL 45 HG12 VAL 45 -3.277 -20.180 -20.180 336 2HG1 VAL 45 HG11 VAL 45 -2.477 -18.731 -18.731 337 3HG1 VAL 45 HG13 VAL 45 -2.760 -20.099 -20.099 338 1HG2 VAL 45 HG23 VAL 45 -1.420 -20.215 -20.215 339 2HG2 VAL 45 HG22 VAL 45 0.263 -20.181 -20.181 340 3HG2 VAL 45 HG21 VAL 45 -0.768 -18.772 -18.772 341 H CYS 46 HN CYS 46 -3.761 -21.877 -21.877 342 HA CYS 46 HA CYS 46 -3.379 -23.141 -23.141 343 1HB CYS 46 HB2 CYS 46 -5.359 -23.760 -23.760 344 2HB CYS 46 HB1 CYS 46 -5.547 -24.358 -24.358 345 H ALA 47 HN ALA 47 -4.211 -21.772 -21.772 346 HA ALA 47 HA ALA 47 -6.588 -20.100 -20.100 347 1HB ALA 47 HB1 ALA 47 -3.976 -19.235 -19.235 348 2HB ALA 47 HB3 ALA 47 -4.683 -18.919 -18.919 349 3HB ALA 47 HB2 ALA 47 -5.407 -18.213 -18.213 350 H LYS 48 HN LYS 48 -7.789 -19.344 -19.344 351 HA LYS 48 HA LYS 48 -8.416 -21.409 -21.409 352 1HB LYS 48 HB2 LYS 48 -9.055 -18.618 -18.618 353 2HB LYS 48 HB1 LYS 48 -9.070 -18.951 -18.951 354 1HG LYS 48 HG2 LYS 48 -10.616 -20.813 -20.813 355 2HG LYS 48 HG1 LYS 48 -10.539 -20.593 -20.593 356 1HD LYS 48 HD2 LYS 48 -11.301 -18.230 -18.230 357 2HD LYS 48 HD1 LYS 48 -12.499 -19.506 -19.506 358 1HE LYS 48 HE2 LYS 48 -12.102 -19.354 -19.354 359 2HE LYS 48 HE1 LYS 48 -11.124 -17.908 -17.908 360 1HZ LYS 48 HZ2 LYS 48 -13.746 -18.122 -18.122 361 2HZ LYS 48 HZ1 LYS 48 -13.721 -17.750 -17.750 362 3HZ LYS 48 HZ3 LYS 48 -12.924 -16.740 -16.740 363 HA PRO 49 HA PRO 49 -5.389 -21.028 -21.028 364 1HB PRO 49 HB2 PRO 49 -6.871 -21.355 -21.355 365 2HB PRO 49 HB1 PRO 49 -6.508 -22.682 -22.682 366 1HG PRO 49 HG2 PRO 49 -8.996 -21.077 -21.077 367 2HG PRO 49 HG1 PRO 49 -8.802 -22.799 -22.799 368 1HD PRO 49 HD2 PRO 49 -9.398 -20.896 -20.896 369 2HD PRO 49 HD1 PRO 49 -8.593 -22.436 -22.436 370 H SER 50 HN SER 50 -8.287 -19.019 -19.019 371 HA SER 50 HA SER 50 -6.570 -16.957 -16.957 372 1HB SER 50 HB2 SER 50 -9.467 -17.760 -17.760 373 2HB SER 50 HB1 SER 50 -8.754 -16.320 -16.320 374 HG SER 50 HG SER 50 -7.534 -17.529 -17.529 375 H GLY 51 HN GLY 51 -7.161 -17.292 -17.292 376 1HA GLY 51 HA2 GLY 51 -9.185 -15.547 -15.547 377 2HA GLY 51 HA1 GLY 51 -7.686 -15.872 -15.872 378 HA PRO 52 HA PRO 52 -7.812 -11.633 -11.633 379 1HB PRO 52 HB2 PRO 52 -9.148 -10.056 -10.056 380 2HB PRO 52 HB1 PRO 52 -9.943 -10.858 -10.858 381 1HG PRO 52 HG2 PRO 52 -9.800 -11.689 -11.689 382 2HG PRO 52 HG1 PRO 52 -11.177 -11.726 -11.726 383 1HD PRO 52 HD2 PRO 52 -9.735 -13.935 -13.935 384 2HD PRO 52 HD1 PRO 52 -10.479 -13.689 -13.689 385 H GLY 53 HN GLY 53 -5.575 -11.969 -11.969 386 1HA GLY 53 HA2 GLY 53 -4.033 -10.324 -10.324 387 2HA GLY 53 HA1 GLY 53 -4.904 -10.829 -10.829 388 H VAL 54 HN VAL 54 -5.133 -13.621 -13.621 389 HA VAL 54 HA VAL 54 -2.772 -14.740 -14.740 390 HB VAL 54 HB VAL 54 -4.934 -15.804 -15.804 391 1HG1 VAL 54 HG13 VAL 54 -2.655 -17.092 -17.092 392 2HG1 VAL 54 HG12 VAL 54 -3.203 -17.541 -17.541 393 3HG1 VAL 54 HG11 VAL 54 -4.161 -17.988 -17.988 394 1HG2 VAL 54 HG21 VAL 54 -5.154 -14.932 -14.932 395 2HG2 VAL 54 HG23 VAL 54 -6.149 -16.223 -16.223 396 3HG2 VAL 54 HG22 VAL 54 -4.719 -16.617 -16.617 397 H GLN 55 HN GLN 55 -3.714 -14.228 -14.228 398 HA GLN 55 HA GLN 55 -1.363 -15.477 -15.477 399 1HB GLN 55 HB2 GLN 55 -3.786 -14.427 -14.427 400 2HB GLN 55 HB1 GLN 55 -2.611 -13.283 -13.283 401 1HG GLN 55 HG2 GLN 55 -2.281 -14.765 -14.765 402 2HG GLN 55 HG1 GLN 55 -1.452 -15.770 -15.770 403 1HE2 GLN 55 HE21 GLN 55 -2.250 -17.774 -17.774 404 2HE2 GLN 55 HE22 GLN 55 -3.880 -18.230 -18.230 405 H ASP 56 HN ASP 56 -2.122 -12.280 -12.280 406 HA ASP 56 HA ASP 56 0.138 -10.881 -10.881 407 1HB ASP 56 HB2 ASP 56 -1.976 -9.916 -9.916 408 2HB ASP 56 HB1 ASP 56 -1.378 -10.391 -10.391 409 H CYS 57 HN CYS 57 -0.399 -12.755 -12.755 410 HA CYS 57 HA CYS 57 2.107 -12.124 -12.124 411 1HB CYS 57 HB2 CYS 57 0.431 -14.649 -14.649 412 2HB CYS 57 HB1 CYS 57 1.518 -14.024 -14.024 413 H MET 58 HN MET 58 1.089 -14.746 -14.746 414 HA MET 58 HA MET 58 3.612 -16.132 -16.132 415 1HB MET 58 HB2 MET 58 1.495 -15.939 -15.939 416 2HB MET 58 HB1 MET 58 2.654 -17.247 -17.247 417 1HG MET 58 HG2 MET 58 1.574 -17.354 -17.354 418 2HG MET 58 HG1 MET 58 0.216 -16.567 -16.567 419 1HE MET 58 HE1 MET 58 -0.445 -17.289 -17.289 420 2HE MET 58 HE3 MET 58 1.064 -17.968 -17.968 421 3HE MET 58 HE2 MET 58 -0.404 -18.942 -18.942 422 H LYS 59 HN LYS 59 2.312 -13.412 -13.412 423 HA LYS 59 HA LYS 59 4.357 -13.344 -13.344 424 1HB LYS 59 HB2 LYS 59 2.156 -12.167 -12.167 425 2HB LYS 59 HB1 LYS 59 2.703 -11.115 -11.115 426 1HG LYS 59 HG2 LYS 59 4.185 -9.972 -9.972 427 2HG LYS 59 HG1 LYS 59 4.438 -11.354 -11.354 428 1HD LYS 59 HD2 LYS 59 2.266 -11.033 -11.033 429 2HD LYS 59 HD1 LYS 59 1.852 -9.776 -9.776 430 1HE LYS 59 HE2 LYS 59 3.583 -8.309 -8.309 431 2HE LYS 59 HE1 LYS 59 4.179 -9.594 -9.594 432 1HZ LYS 59 HZ2 LYS 59 1.323 -8.989 -8.989 433 2HZ LYS 59 HZ1 LYS 59 2.363 -7.834 -7.834 434 3HZ LYS 59 HZ3 LYS 59 2.379 -9.431 -9.431 435 H LYS 60 HN LYS 60 4.108 -12.106 -12.106 436 HA LYS 60 HA LYS 60 6.458 -10.428 -10.428 437 1HB LYS 60 HB2 LYS 60 4.879 -11.836 -11.836 438 2HB LYS 60 HB1 LYS 60 6.191 -10.708 -10.708 439 1HG LYS 60 HG2 LYS 60 3.605 -10.123 -10.123 440 2HG LYS 60 HG1 LYS 60 4.135 -9.451 -9.451 441 1HD LYS 60 HD2 LYS 60 6.234 -8.717 -8.717 442 2HD LYS 60 HD1 LYS 60 5.006 -8.769 -8.769 443 1HE LYS 60 HE2 LYS 60 3.552 -7.371 -7.371 444 2HE LYS 60 HE1 LYS 60 5.087 -7.039 -7.039 445 1HZ LYS 60 HZ3 LYS 60 4.817 -6.787 -6.787 446 2HZ LYS 60 HZ2 LYS 60 4.420 -5.493 -5.493 447 3HZ LYS 60 HZ1 LYS 60 6.002 -6.114 -6.114 448 H LEU 61 HN LEU 61 5.857 -13.855 -13.855 449 HA LEU 61 HA LEU 61 8.577 -14.358 -14.358 450 1HB LEU 61 HB2 LEU 61 6.397 -16.231 -16.231 451 2HB LEU 61 HB1 LEU 61 7.789 -16.685 -16.685 452 HG LEU 61 HG LEU 61 5.444 -14.943 -14.943 453 1HD1 LEU 61 HD12 LEU 61 6.387 -17.656 -17.656 454 2HD1 LEU 61 HD11 LEU 61 6.090 -16.736 -16.736 455 3HD1 LEU 61 HD13 LEU 61 4.801 -16.942 -16.942 456 1HD2 LEU 61 HD23 LEU 61 8.152 -15.225 -15.225 457 2HD2 LEU 61 HD22 LEU 61 7.379 -13.738 -13.738 458 3HD2 LEU 61 HD21 LEU 61 6.723 -14.614 -14.614 459 H LYS 62 HN LYS 62 7.403 -13.658 -13.658 460 HA LYS 62 HA LYS 62 9.763 -14.913 -14.913 461 1HB LYS 62 HB2 LYS 62 7.387 -16.228 -16.228 462 2HB LYS 62 HB1 LYS 62 7.169 -15.232 -15.232 463 1HG LYS 62 HG2 LYS 62 8.340 -16.845 -16.845 464 2HG LYS 62 HG1 LYS 62 9.758 -16.154 -16.154 465 1HD LYS 62 HD2 LYS 62 10.015 -18.255 -18.255 466 2HD LYS 62 HD1 LYS 62 8.774 -17.744 -17.744 467 1HE LYS 62 HE2 LYS 62 7.027 -18.643 -18.643 468 2HE LYS 62 HE1 LYS 62 8.332 -19.271 -19.271 469 1HZ LYS 62 HZ2 LYS 62 8.421 -19.805 -19.805 470 2HZ LYS 62 HZ1 LYS 62 7.338 -20.714 -20.714 471 3HZ LYS 62 HZ3 LYS 62 9.000 -20.750 -20.750 472 HA PRO 63 HA PRO 63 8.657 -10.698 -10.698 473 1HB PRO 63 HB2 PRO 63 11.064 -9.530 -9.530 474 2HB PRO 63 HB1 PRO 63 9.738 -9.616 -9.616 475 1HG PRO 63 HG2 PRO 63 12.224 -11.222 -11.222 476 2HG PRO 63 HG1 PRO 63 11.309 -10.712 -10.712 477 1HD PRO 63 HD2 PRO 63 11.247 -13.247 -13.247 478 2HD PRO 63 HD1 PRO 63 10.035 -12.592 -12.592 479 H TYR 64 HN TYR 64 8.798 -12.035 -12.035 480 HA TYR 64 HA TYR 64 10.814 -11.067 -11.067 481 1HB TYR 64 HB2 TYR 64 11.465 -13.345 -13.345 482 2HB TYR 64 HB1 TYR 64 11.537 -13.789 -13.789 483 HD1 TYR 64 HD1 TYR 64 12.566 -11.692 -11.692 484 HD2 TYR 64 HD2 TYR 64 13.492 -12.645 -12.645 485 HE1 TYR 64 HE1 TYR 64 14.736 -10.511 -10.511 486 HE2 TYR 64 HE2 TYR 64 15.661 -11.463 -11.463 487 HH TYR 64 HH TYR 64 16.421 -9.348 -9.348 488 H SER 65 HN SER 65 8.026 -11.312 -11.312 489 HA SER 65 HA SER 65 6.391 -12.022 -12.022 490 1HB SER 65 HB2 SER 65 7.355 -12.145 -12.145 491 2HB SER 65 HB1 SER 65 8.916 -12.099 -12.099 492 HG SER 65 HG SER 65 8.577 -13.940 -13.940 493 H ILE 66 HN ILE 66 5.004 -13.818 -13.818 494 HA ILE 66 HA ILE 66 5.916 -16.554 -16.554 495 HB ILE 66 HB ILE 66 6.278 -15.482 -15.482 496 1HG1 ILE 66 HG12 ILE 66 5.021 -17.284 -17.284 497 2HG1 ILE 66 HG11 ILE 66 4.243 -17.711 -17.711 498 1HG2 ILE 66 HG21 ILE 66 4.125 -14.064 -14.064 499 2HG2 ILE 66 HG23 ILE 66 3.272 -15.497 -15.497 500 3HG2 ILE 66 HG22 ILE 66 4.458 -14.703 -14.703 501 1HD1 ILE 66 HD13 ILE 66 7.247 -17.542 -17.542 502 2HD1 ILE 66 HD12 ILE 66 6.389 -19.009 -19.009 503 3HD1 ILE 66 HD11 ILE 66 6.271 -18.415 -18.415 Start of MODEL 4 1 1H HIS 1 HT1 HIS 1 6.600 -40.566 -40.566 2 2H HIS 1 HT3 HIS 1 6.763 -40.567 -40.567 3 3H HIS 1 HT2 HIS 1 5.857 -41.783 -41.783 4 HA HIS 1 HA HIS 1 4.151 -40.440 -40.440 5 1HB HIS 1 HB2 HIS 1 4.498 -38.045 -38.045 6 2HB HIS 1 HB1 HIS 1 5.868 -38.916 -38.916 7 HD1 HIS 1 HD1 HIS 1 7.990 -39.165 -39.165 8 HD2 HIS 1 HD2 HIS 1 5.252 -36.119 -36.119 9 HE1 HIS 1 HE1 HIS 1 9.148 -37.543 -37.543 10 H PHE 2 HN PHE 2 2.832 -38.571 -38.571 11 HA PHE 2 HA PHE 2 2.195 -39.409 -39.409 12 1HB PHE 2 HB2 PHE 2 1.215 -37.078 -37.078 13 2HB PHE 2 HB1 PHE 2 0.792 -37.937 -37.937 14 HD1 PHE 2 HD1 PHE 2 3.154 -35.428 -35.428 15 HD2 PHE 2 HD2 PHE 2 1.411 -37.090 -37.090 16 HE1 PHE 2 HE1 PHE 2 4.168 -33.611 -33.611 17 HE2 PHE 2 HE2 PHE 2 2.427 -35.273 -35.273 18 HZ PHE 2 HZ PHE 2 3.805 -33.533 -33.533 19 H ALA 3 HN ALA 3 2.612 -38.287 -38.287 20 HA ALA 3 HA ALA 3 5.420 -37.241 -37.241 21 1HB ALA 3 HB1 ALA 3 4.748 -39.444 -39.444 22 2HB ALA 3 HB3 ALA 3 3.742 -38.496 -38.496 23 3HB ALA 3 HB2 ALA 3 5.491 -38.266 -38.266 24 H ALA 4 HN ALA 4 2.094 -36.764 -36.764 25 HA ALA 4 HA ALA 4 2.904 -34.198 -34.198 26 1HB ALA 4 HB3 ALA 4 1.580 -35.952 -35.952 27 2HB ALA 4 HB2 ALA 4 0.282 -35.727 -35.727 28 3HB ALA 4 HB1 ALA 4 0.742 -34.403 -34.403 29 H ASP 5 HN ASP 5 1.110 -32.432 -32.432 30 HA ASP 5 HA ASP 5 0.177 -32.407 -32.407 31 1HB ASP 5 HB2 ASP 5 1.527 -30.259 -30.259 32 2HB ASP 5 HB1 ASP 5 0.804 -29.961 -29.961 33 H CYS 6 HN CYS 6 -1.867 -31.488 -31.488 34 HA CYS 6 HA CYS 6 -3.243 -30.196 -30.196 35 1HB CYS 6 HB2 CYS 6 -4.299 -32.589 -32.589 36 2HB CYS 6 HB1 CYS 6 -5.108 -31.776 -31.776 37 H CYS 7 HN CYS 7 -4.857 -28.728 -28.728 38 HA CYS 7 HA CYS 7 -4.806 -28.071 -28.071 39 1HB CYS 7 HB2 CYS 7 -5.395 -26.785 -26.785 40 2HB CYS 7 HB1 CYS 7 -6.445 -26.271 -26.271 41 H THR 8 HN THR 8 -6.574 -28.306 -28.306 42 HA THR 8 HA THR 8 -8.925 -29.795 -29.795 43 HB THR 8 HB THR 8 -9.307 -29.894 -29.894 44 HG1 THR 8 HG1 THR 8 -7.506 -29.427 -29.427 45 1HG2 THR 8 HG23 THR 8 -8.039 -31.539 -31.539 46 2HG2 THR 8 HG22 THR 8 -6.753 -31.253 -31.253 47 3HG2 THR 8 HG21 THR 8 -8.293 -31.930 -31.930 48 H SER 9 HN SER 9 -7.905 -26.720 -26.720 49 HA SER 9 HA SER 9 -10.597 -25.575 -25.575 50 1HB SER 9 HB2 SER 9 -9.056 -25.411 -25.411 51 2HB SER 9 HB1 SER 9 -10.538 -24.523 -24.523 52 HG SER 9 HG SER 9 -10.559 -26.731 -26.731 53 H TYR 10 HN TYR 10 -9.782 -23.083 -23.083 54 HA TYR 10 HA TYR 10 -7.293 -22.283 -22.283 55 1HB TYR 10 HB2 TYR 10 -10.036 -21.081 -21.081 56 2HB TYR 10 HB1 TYR 10 -8.522 -20.459 -20.459 57 HD1 TYR 10 HD1 TYR 10 -6.999 -22.420 -22.420 58 HD2 TYR 10 HD2 TYR 10 -11.279 -22.463 -22.463 59 HE1 TYR 10 HE1 TYR 10 -7.148 -24.047 -24.047 60 HE2 TYR 10 HE2 TYR 10 -11.425 -24.092 -24.092 61 HH TYR 10 HH TYR 10 -9.562 -25.947 -25.947 62 H ILE 11 HN ILE 11 -6.887 -19.845 -19.845 63 HA ILE 11 HA ILE 11 -6.984 -19.552 -19.552 64 HB ILE 11 HB ILE 11 -5.734 -17.588 -17.588 65 1HG1 ILE 11 HG12 ILE 11 -7.524 -16.564 -16.564 66 2HG1 ILE 11 HG11 ILE 11 -5.867 -16.246 -16.246 67 1HG2 ILE 11 HG21 ILE 11 -4.809 -19.780 -19.780 68 2HG2 ILE 11 HG23 ILE 11 -5.219 -19.094 -19.094 69 3HG2 ILE 11 HG22 ILE 11 -4.068 -18.269 -18.269 70 1HD1 ILE 11 HD12 ILE 11 -6.089 -18.299 -18.299 71 2HD1 ILE 11 HD11 ILE 11 -7.819 -18.236 -18.236 72 3HD1 ILE 11 HD13 ILE 11 -7.031 -16.884 -16.884 73 H SER 12 HN SER 12 -8.076 -17.742 -17.742 74 HA SER 12 HA SER 12 -10.808 -17.305 -17.305 75 1HB SER 12 HB2 SER 12 -10.721 -16.314 -16.314 76 2HB SER 12 HB1 SER 12 -11.162 -17.966 -17.966 77 HG SER 12 HG SER 12 -8.798 -16.951 -16.951 78 H GLN 13 HN GLN 13 -7.954 -15.719 -15.719 79 HA GLN 13 HA GLN 13 -9.287 -13.110 -13.110 80 1HB GLN 13 HB2 GLN 13 -7.647 -12.033 -12.033 81 2HB GLN 13 HB1 GLN 13 -8.787 -13.118 -13.118 82 1HG GLN 13 HG2 GLN 13 -7.074 -14.934 -14.934 83 2HG GLN 13 HG1 GLN 13 -5.934 -13.769 -13.769 84 1HE2 GLN 13 HE21 GLN 13 -5.557 -11.752 -11.752 85 2HE2 GLN 13 HE22 GLN 13 -5.577 -11.976 -11.976 86 H SER 14 HN SER 14 -7.439 -11.451 -11.451 87 HA SER 14 HA SER 14 -6.254 -12.111 -12.111 88 1HB SER 14 HB2 SER 14 -4.447 -10.368 -10.368 89 2HB SER 14 HB1 SER 14 -6.099 -9.873 -9.873 90 HG SER 14 HG SER 14 -5.463 -10.900 -10.900 91 H ILE 15 HN ILE 15 -4.296 -13.063 -13.063 92 HA ILE 15 HA ILE 15 -3.096 -15.038 -15.038 93 HB ILE 15 HB ILE 15 -2.564 -13.931 -13.931 94 1HG1 ILE 15 HG12 ILE 15 -4.555 -15.438 -15.438 95 2HG1 ILE 15 HG11 ILE 15 -3.490 -16.004 -16.004 96 1HG2 ILE 15 HG21 ILE 15 -1.062 -16.120 -16.120 97 2HG2 ILE 15 HG23 ILE 15 -0.956 -15.832 -15.832 98 3HG2 ILE 15 HG22 ILE 15 -0.391 -14.603 -14.603 99 1HD1 ILE 15 HD11 ILE 15 -2.574 -16.907 -16.907 100 2HD1 ILE 15 HD13 ILE 15 -4.227 -17.432 -17.432 101 3HD1 ILE 15 HD12 ILE 15 -2.935 -17.854 -17.854 102 HA PRO 16 HA PRO 16 -0.079 -12.292 -12.292 103 1HB PRO 16 HB2 PRO 16 1.378 -14.183 -14.183 104 2HB PRO 16 HB1 PRO 16 -0.206 -13.619 -13.619 105 1HG PRO 16 HG2 PRO 16 0.531 -16.131 -16.131 106 2HG PRO 16 HG1 PRO 16 -0.717 -15.840 -15.840 107 1HD PRO 16 HD2 PRO 16 -1.156 -16.085 -16.085 108 2HD PRO 16 HD1 PRO 16 -2.277 -15.342 -15.342 109 H CYS 17 HN CYS 17 0.623 -12.289 -12.289 110 HA CYS 17 HA CYS 17 2.824 -13.901 -13.901 111 1HB CYS 17 HB2 CYS 17 2.183 -11.043 -11.043 112 2HB CYS 17 HB1 CYS 17 2.935 -12.284 -12.284 113 H SER 18 HN SER 18 2.650 -11.383 -11.383 114 HA SER 18 HA SER 18 5.258 -10.210 -10.210 115 1HB SER 18 HB2 SER 18 3.450 -9.154 -9.154 116 2HB SER 18 HB1 SER 18 3.357 -10.524 -10.524 117 HG SER 18 HG SER 18 5.049 -9.824 -9.824 118 H LEU 19 HN LEU 19 4.513 -13.376 -13.376 119 HA LEU 19 HA LEU 19 7.147 -13.731 -13.731 120 1HB LEU 19 HB2 LEU 19 4.396 -14.398 -14.398 121 2HB LEU 19 HB1 LEU 19 5.715 -15.491 -15.491 122 HG LEU 19 HG LEU 19 6.654 -12.828 -12.828 123 1HD1 LEU 19 HD13 LEU 19 4.155 -12.336 -12.336 124 2HD1 LEU 19 HD12 LEU 19 4.091 -13.370 -13.370 125 3HD1 LEU 19 HD11 LEU 19 5.065 -11.900 -11.900 126 1HD2 LEU 19 HD21 LEU 19 6.180 -15.317 -15.317 127 2HD2 LEU 19 HD23 LEU 19 7.624 -14.307 -14.307 128 3HD2 LEU 19 HD22 LEU 19 6.288 -13.838 -13.838 129 H MET 20 HN MET 20 5.357 -14.476 -14.476 130 HA MET 20 HA MET 20 5.901 -17.396 -17.396 131 1HB MET 20 HB2 MET 20 4.725 -15.728 -15.728 132 2HB MET 20 HB1 MET 20 4.527 -17.453 -17.453 133 1HG MET 20 HG2 MET 20 3.636 -15.518 -15.518 134 2HG MET 20 HG1 MET 20 2.623 -15.748 -15.748 135 1HE MET 20 HE2 MET 20 0.842 -17.032 -17.032 136 2HE MET 20 HE1 MET 20 0.431 -18.308 -18.308 137 3HE MET 20 HE3 MET 20 0.671 -16.653 -16.653 138 H LYS 21 HN LYS 21 7.692 -18.218 -18.218 139 HA LYS 21 HA LYS 21 9.481 -16.431 -16.431 140 1HB LYS 21 HB2 LYS 21 11.118 -18.297 -18.297 141 2HB LYS 21 HB1 LYS 21 10.448 -17.485 -17.485 142 1HG LYS 21 HG2 LYS 21 9.457 -19.379 -19.379 143 2HG LYS 21 HG1 LYS 21 8.769 -19.705 -19.705 144 1HD LYS 21 HD2 LYS 21 10.841 -20.718 -20.718 145 2HD LYS 21 HD1 LYS 21 11.659 -20.246 -20.246 146 1HE LYS 21 HE2 LYS 21 10.030 -21.677 -21.677 147 2HE LYS 21 HE1 LYS 21 9.384 -22.243 -22.243 148 1HZ LYS 21 HZ2 LYS 21 12.292 -22.260 -22.260 149 2HZ LYS 21 HZ1 LYS 21 11.328 -23.536 -23.536 150 3HZ LYS 21 HZ3 LYS 21 11.394 -23.206 -23.206 151 H SER 22 HN SER 22 7.566 -19.399 -19.399 152 HA SER 22 HA SER 22 7.967 -19.314 -19.314 153 1HB SER 22 HB2 SER 22 9.964 -20.479 -20.479 154 2HB SER 22 HB1 SER 22 8.836 -21.781 -21.781 155 HG SER 22 HG SER 22 10.130 -21.702 -21.702 156 H TYR 23 HN TYR 23 5.893 -19.629 -19.629 157 HA TYR 23 HA TYR 23 4.071 -21.417 -21.417 158 1HB TYR 23 HB2 TYR 23 2.362 -20.260 -20.260 159 2HB TYR 23 HB1 TYR 23 3.529 -19.045 -19.045 160 HD1 TYR 23 HD1 TYR 23 2.494 -21.179 -21.179 161 HD2 TYR 23 HD2 TYR 23 4.860 -17.836 -17.836 162 HE1 TYR 23 HE1 TYR 23 2.962 -20.596 -20.596 163 HE2 TYR 23 HE2 TYR 23 5.325 -17.250 -17.250 164 HH TYR 23 HH TYR 23 4.132 -17.663 -17.663 165 H PHE 24 HN PHE 24 2.696 -22.954 -22.954 166 HA PHE 24 HA PHE 24 3.876 -23.752 -23.752 167 1HB PHE 24 HB2 PHE 24 4.562 -25.884 -25.884 168 2HB PHE 24 HB1 PHE 24 5.031 -24.849 -24.849 169 HD1 PHE 24 HD1 PHE 24 2.246 -27.047 -27.047 170 HD2 PHE 24 HD2 PHE 24 4.218 -25.261 -25.261 171 HE1 PHE 24 HE1 PHE 24 0.837 -28.389 -28.389 172 HE2 PHE 24 HE2 PHE 24 2.807 -26.605 -26.605 173 HZ PHE 24 HZ PHE 24 1.117 -28.170 -28.170 174 H GLU 25 HN GLU 25 2.402 -24.950 -24.950 175 HA GLU 25 HA GLU 25 -0.423 -24.799 -24.799 176 1HB GLU 25 HB2 GLU 25 -0.855 -25.161 -25.161 177 2HB GLU 25 HB1 GLU 25 0.479 -24.014 -24.014 178 1HG GLU 25 HG2 GLU 25 2.055 -26.000 -26.000 179 2HG GLU 25 HG1 GLU 25 0.645 -26.979 -26.979 180 H THR 26 HN THR 26 -1.721 -26.644 -26.644 181 HA THR 26 HA THR 26 -0.299 -29.169 -29.169 182 HB THR 26 HB THR 26 -2.495 -29.841 -29.841 183 HG1 THR 26 HG1 THR 26 -3.968 -29.018 -29.018 184 1HG2 THR 26 HG23 THR 26 -1.376 -27.147 -27.147 185 2HG2 THR 26 HG22 THR 26 -2.892 -27.640 -27.640 186 3HG2 THR 26 HG21 THR 26 -1.436 -28.609 -28.609 187 H SER 27 HN SER 27 -1.564 -31.225 -31.225 188 HA SER 27 HA SER 27 -1.658 -30.992 -30.992 189 1HB SER 27 HB2 SER 27 -1.984 -33.385 -33.385 190 2HB SER 27 HB1 SER 27 -1.597 -33.426 -33.426 191 HG SER 27 HG SER 27 0.032 -33.052 -33.052 192 H SER 28 HN SER 28 -3.540 -31.203 -31.203 193 HA SER 28 HA SER 28 -6.097 -30.780 -30.780 194 1HB SER 28 HB2 SER 28 -6.895 -30.835 -30.835 195 2HB SER 28 HB1 SER 28 -5.283 -30.119 -30.119 196 HG SER 28 HG SER 28 -4.455 -32.093 -32.093 197 H GLU 29 HN GLU 29 -4.242 -33.568 -33.568 198 HA GLU 29 HA GLU 29 -6.300 -35.541 -35.541 199 1HB GLU 29 HB2 GLU 29 -3.472 -35.355 -35.355 200 2HB GLU 29 HB1 GLU 29 -4.166 -36.611 -36.611 201 1HG GLU 29 HG2 GLU 29 -5.256 -37.603 -37.603 202 2HG GLU 29 HG1 GLU 29 -4.485 -36.379 -36.379 203 H CYS 30 HN CYS 30 -5.244 -33.777 -33.777 204 HA CYS 30 HA CYS 30 -6.289 -35.573 -35.573 205 1HB CYS 30 HB2 CYS 30 -4.956 -33.022 -33.022 206 2HB CYS 30 HB1 CYS 30 -6.282 -32.887 -32.887 207 H SER 31 HN SER 31 -8.265 -35.276 -35.276 208 HA SER 31 HA SER 31 -10.596 -34.682 -34.682 209 1HB SER 31 HB2 SER 31 -9.859 -35.695 -35.695 210 2HB SER 31 HB1 SER 31 -11.066 -34.435 -34.435 211 HG SER 31 HG SER 31 -12.334 -35.501 -35.501 212 H LYS 32 HN LYS 32 -8.396 -32.575 -32.575 213 HA LYS 32 HA LYS 32 -10.199 -30.275 -30.275 214 1HB LYS 32 HB2 LYS 32 -9.315 -31.322 -31.322 215 2HB LYS 32 HB1 LYS 32 -9.326 -29.570 -29.570 216 1HG LYS 32 HG2 LYS 32 -11.724 -30.178 -30.178 217 2HG LYS 32 HG1 LYS 32 -11.597 -31.483 -31.483 218 1HD LYS 32 HD2 LYS 32 -12.063 -30.069 -30.069 219 2HD LYS 32 HD1 LYS 32 -10.751 -28.995 -28.995 220 1HE LYS 32 HE2 LYS 32 -12.224 -27.521 -27.521 221 2HE LYS 32 HE1 LYS 32 -13.010 -28.804 -28.804 222 1HZ LYS 32 HZ2 LYS 32 -13.412 -28.288 -28.288 223 2HZ LYS 32 HZ1 LYS 32 -14.513 -27.875 -27.875 224 3HZ LYS 32 HZ3 LYS 32 -14.174 -29.506 -29.506 225 HA PRO 33 HA PRO 33 -6.014 -29.137 -29.137 226 1HB PRO 33 HB2 PRO 33 -6.808 -27.092 -27.092 227 2HB PRO 33 HB1 PRO 33 -6.812 -28.791 -28.791 228 1HG PRO 33 HG2 PRO 33 -9.065 -27.061 -27.061 229 2HG PRO 33 HG1 PRO 33 -9.035 -28.317 -28.317 230 1HD PRO 33 HD2 PRO 33 -10.073 -28.661 -28.661 231 2HD PRO 33 HD1 PRO 33 -9.462 -29.984 -29.984 232 H GLY 34 HN GLY 34 -5.039 -26.740 -26.740 233 1HA GLY 34 HA2 GLY 34 -5.909 -24.461 -24.461 234 2HA GLY 34 HA1 GLY 34 -5.693 -25.484 -25.484 235 H VAL 35 HN VAL 35 -4.181 -23.108 -23.108 236 HA VAL 35 HA VAL 35 -1.464 -24.221 -24.221 237 HB VAL 35 HB VAL 35 -1.946 -22.441 -22.441 238 1HG1 VAL 35 HG12 VAL 35 -3.277 -21.189 -21.189 239 2HG1 VAL 35 HG11 VAL 35 -2.844 -20.222 -20.222 240 3HG1 VAL 35 HG13 VAL 35 -3.976 -21.564 -21.564 241 1HG2 VAL 35 HG22 VAL 35 -0.005 -22.088 -22.088 242 2HG2 VAL 35 HG21 VAL 35 -0.074 -21.264 -21.264 243 3HG2 VAL 35 HG23 VAL 35 -0.808 -20.523 -20.523 244 H ILE 36 HN ILE 36 -0.200 -24.520 -24.520 245 HA ILE 36 HA ILE 36 -0.994 -23.162 -23.162 246 HB ILE 36 HB ILE 36 0.601 -25.598 -25.598 247 1HG1 ILE 36 HG12 ILE 36 -1.797 -25.007 -25.007 248 2HG1 ILE 36 HG11 ILE 36 -1.736 -25.992 -25.992 249 1HG2 ILE 36 HG23 ILE 36 1.928 -24.365 -24.365 250 2HG2 ILE 36 HG22 ILE 36 0.517 -24.363 -24.363 251 3HG2 ILE 36 HG21 ILE 36 1.289 -25.887 -25.887 252 1HD1 ILE 36 HD11 ILE 36 -0.017 -27.434 -27.434 253 2HD1 ILE 36 HD13 ILE 36 -0.702 -26.634 -26.634 254 3HD1 ILE 36 HD12 ILE 36 -1.734 -27.607 -27.607 255 H PHE 37 HN PHE 37 0.227 -21.449 -21.449 256 HA PHE 37 HA PHE 37 2.779 -20.815 -20.815 257 1HB PHE 37 HB2 PHE 37 1.097 -19.419 -19.419 258 2HB PHE 37 HB1 PHE 37 2.575 -18.746 -18.746 259 HD1 PHE 37 HD1 PHE 37 -0.709 -20.192 -20.192 260 HD2 PHE 37 HD2 PHE 37 2.426 -17.360 -17.360 261 HE1 PHE 37 HE1 PHE 37 -2.022 -19.270 -19.270 262 HE2 PHE 37 HE2 PHE 37 1.109 -16.443 -16.443 263 HZ PHE 37 HZ PHE 37 -1.116 -17.392 -17.392 264 H LEU 38 HN LEU 38 4.772 -21.208 -21.208 265 HA LEU 38 HA LEU 38 4.697 -22.441 -22.441 266 1HB LEU 38 HB2 LEU 38 6.780 -22.320 -22.320 267 2HB LEU 38 HB1 LEU 38 7.029 -23.131 -23.131 268 HG LEU 38 HG LEU 38 4.887 -23.788 -23.788 269 1HD1 LEU 38 HD11 LEU 38 7.500 -24.523 -24.523 270 2HD1 LEU 38 HD13 LEU 38 6.845 -25.798 -25.798 271 3HD1 LEU 38 HD12 LEU 38 6.194 -25.547 -25.547 272 1HD2 LEU 38 HD21 LEU 38 5.073 -24.278 -24.278 273 2HD2 LEU 38 HD23 LEU 38 3.745 -24.633 -24.633 274 3HD2 LEU 38 HD22 LEU 38 5.056 -25.795 -25.795 275 H THR 39 HN THR 39 5.427 -21.275 -21.275 276 HA THR 39 HA THR 39 6.508 -18.566 -18.566 277 HB THR 39 HB THR 39 5.924 -18.242 -18.242 278 HG1 THR 39 HG1 THR 39 6.432 -19.764 -19.764 279 1HG2 THR 39 HG22 THR 39 3.980 -18.615 -18.615 280 2HG2 THR 39 HG21 THR 39 4.003 -20.325 -20.325 281 3HG2 THR 39 HG23 THR 39 3.646 -19.111 -19.111 282 H LYS 40 HN LYS 40 8.558 -17.895 -17.895 283 HA LYS 40 HA LYS 40 10.691 -19.823 -19.823 284 1HB LYS 40 HB2 LYS 40 10.963 -17.501 -17.501 285 2HB LYS 40 HB1 LYS 40 10.497 -16.933 -16.933 286 1HG LYS 40 HG2 LYS 40 12.587 -18.752 -18.752 287 2HG LYS 40 HG1 LYS 40 13.097 -17.811 -17.811 288 1HD LYS 40 HD2 LYS 40 12.525 -15.724 -15.724 289 2HD LYS 40 HD1 LYS 40 12.215 -16.732 -16.732 290 1HE LYS 40 HE2 LYS 40 14.776 -17.431 -17.431 291 2HE LYS 40 HE1 LYS 40 14.712 -15.693 -15.693 292 1HZ LYS 40 HZ3 LYS 40 13.596 -16.439 -16.439 293 2HZ LYS 40 HZ2 LYS 40 14.241 -17.972 -17.972 294 3HZ LYS 40 HZ1 LYS 40 15.275 -16.641 -16.641 295 H LYS 41 HN LYS 41 8.726 -18.440 -18.440 296 HA LYS 41 HA LYS 41 10.461 -19.094 -19.094 297 1HB LYS 41 HB2 LYS 41 8.038 -17.765 -17.765 298 2HB LYS 41 HB1 LYS 41 7.610 -19.094 -19.094 299 1HG LYS 41 HG2 LYS 41 9.523 -18.390 -18.390 300 2HG LYS 41 HG1 LYS 41 9.717 -16.966 -16.966 301 1HD LYS 41 HD2 LYS 41 7.184 -16.577 -16.577 302 2HD LYS 41 HD1 LYS 41 7.393 -17.708 -17.708 303 1HE LYS 41 HE2 LYS 41 9.426 -16.192 -16.192 304 2HE LYS 41 HE1 LYS 41 8.633 -14.985 -14.985 305 1HZ LYS 41 HZ1 LYS 41 6.550 -15.459 -15.459 306 2HZ LYS 41 HZ3 LYS 41 7.422 -16.458 -16.458 307 3HZ LYS 41 HZ2 LYS 41 7.758 -14.794 -14.794 308 H GLY 42 HN GLY 42 8.622 -21.020 -21.020 309 1HA GLY 42 HA2 GLY 42 8.736 -23.442 -23.442 310 2HA GLY 42 HA1 GLY 42 8.951 -23.345 -23.345 311 H ARG 43 HN ARG 43 6.500 -22.317 -22.317 312 HA ARG 43 HA ARG 43 4.423 -23.727 -23.727 313 1HB ARG 43 HB2 ARG 43 5.009 -21.031 -21.031 314 2HB ARG 43 HB1 ARG 43 3.632 -21.003 -21.003 315 1HG ARG 43 HG2 ARG 43 2.881 -21.003 -21.003 316 2HG ARG 43 HG1 ARG 43 2.374 -22.475 -22.475 317 1HD ARG 43 HD2 ARG 43 3.882 -23.811 -23.811 318 2HD ARG 43 HD1 ARG 43 5.009 -22.469 -22.469 319 HE ARG 43 HE ARG 43 3.681 -21.799 -21.799 320 1HH1 ARG 43 HH11 ARG 43 2.792 -24.848 -24.848 321 2HH1 ARG 43 HH12 ARG 43 1.199 -24.812 -24.812 322 1HH2 ARG 43 HH21 ARG 43 1.321 -21.436 -21.436 323 2HH2 ARG 43 HH22 ARG 43 0.365 -22.880 -22.880 324 H GLN 44 HN GLN 44 2.188 -23.250 -23.250 325 HA GLN 44 HA GLN 44 2.649 -23.027 -23.027 326 1HB GLN 44 HB2 GLN 44 1.316 -25.159 -25.159 327 2HB GLN 44 HB1 GLN 44 2.892 -25.385 -25.385 328 1HG GLN 44 HG2 GLN 44 1.861 -25.406 -25.406 329 2HG GLN 44 HG1 GLN 44 0.281 -25.067 -25.067 330 1HE2 GLN 44 HE21 GLN 44 -0.311 -26.782 -26.782 331 2HE2 GLN 44 HE22 GLN 44 0.020 -28.401 -28.401 332 H VAL 45 HN VAL 45 0.827 -22.281 -22.281 333 HA VAL 45 HA VAL 45 -1.607 -21.682 -21.682 334 HB VAL 45 HB VAL 45 -0.081 -20.077 -20.077 335 1HG1 VAL 45 HG11 VAL 45 -2.908 -20.118 -20.118 336 2HG1 VAL 45 HG13 VAL 45 -2.258 -18.593 -18.593 337 3HG1 VAL 45 HG12 VAL 45 -1.997 -19.063 -19.063 338 1HG2 VAL 45 HG23 VAL 45 0.710 -19.970 -19.970 339 2HG2 VAL 45 HG22 VAL 45 0.034 -18.425 -18.425 340 3HG2 VAL 45 HG21 VAL 45 -0.907 -19.499 -19.499 341 H CYS 46 HN CYS 46 -3.609 -22.026 -22.026 342 HA CYS 46 HA CYS 46 -3.372 -23.487 -23.487 343 1HB CYS 46 HB2 CYS 46 -4.955 -23.707 -23.707 344 2HB CYS 46 HB1 CYS 46 -5.974 -23.724 -23.724 345 H ALA 47 HN ALA 47 -4.077 -22.431 -22.431 346 HA ALA 47 HA ALA 47 -6.055 -20.203 -20.203 347 1HB ALA 47 HB2 ALA 47 -3.394 -20.331 -20.331 348 2HB ALA 47 HB1 ALA 47 -4.631 -19.219 -19.219 349 3HB ALA 47 HB3 ALA 47 -4.030 -19.075 -19.075 350 H LYS 48 HN LYS 48 -7.403 -19.842 -19.842 351 HA LYS 48 HA LYS 48 -8.123 -22.256 -22.256 352 1HB LYS 48 HB2 LYS 48 -9.105 -19.587 -19.587 353 2HB LYS 48 HB1 LYS 48 -9.278 -19.961 -19.961 354 1HG LYS 48 HG2 LYS 48 -10.129 -22.298 -22.298 355 2HG LYS 48 HG1 LYS 48 -10.589 -21.217 -21.217 356 1HD LYS 48 HD2 LYS 48 -11.383 -19.828 -19.828 357 2HD LYS 48 HD1 LYS 48 -11.759 -21.504 -21.504 358 1HE LYS 48 HE2 LYS 48 -12.866 -21.650 -21.650 359 2HE LYS 48 HE1 LYS 48 -12.763 -19.880 -19.880 360 1HZ LYS 48 HZ3 LYS 48 -13.777 -21.245 -21.245 361 2HZ LYS 48 HZ2 LYS 48 -14.818 -21.026 -21.026 362 3HZ LYS 48 HZ1 LYS 48 -14.113 -19.680 -19.680 363 HA PRO 49 HA PRO 49 -5.948 -21.758 -21.758 364 1HB PRO 49 HB2 PRO 49 -7.856 -21.754 -21.754 365 2HB PRO 49 HB1 PRO 49 -7.412 -23.207 -23.207 366 1HG PRO 49 HG2 PRO 49 -9.744 -21.381 -21.381 367 2HG PRO 49 HG1 PRO 49 -9.667 -23.143 -23.143 368 1HD PRO 49 HD2 PRO 49 -9.710 -21.473 -21.473 369 2HD PRO 49 HD1 PRO 49 -8.942 -23.075 -23.075 370 H SER 50 HN SER 50 -8.673 -19.500 -19.500 371 HA SER 50 HA SER 50 -6.981 -17.414 -17.414 372 1HB SER 50 HB2 SER 50 -9.883 -18.154 -18.154 373 2HB SER 50 HB1 SER 50 -9.186 -16.639 -16.639 374 HG SER 50 HG SER 50 -8.873 -17.975 -17.975 375 H GLY 51 HN GLY 51 -7.485 -17.933 -17.933 376 1HA GLY 51 HA2 GLY 51 -9.487 -16.326 -16.326 377 2HA GLY 51 HA1 GLY 51 -7.916 -16.610 -16.610 378 HA PRO 52 HA PRO 52 -8.433 -12.244 -12.244 379 1HB PRO 52 HB2 PRO 52 -9.555 -10.863 -10.863 380 2HB PRO 52 HB1 PRO 52 -10.509 -11.598 -11.598 381 1HG PRO 52 HG2 PRO 52 -9.950 -12.618 -12.618 382 2HG PRO 52 HG1 PRO 52 -11.459 -12.648 -12.648 383 1HD PRO 52 HD2 PRO 52 -9.845 -14.815 -14.815 384 2HD PRO 52 HD1 PRO 52 -10.834 -14.517 -14.517 385 H GLY 53 HN GLY 53 -6.100 -12.682 -12.682 386 1HA GLY 53 HA2 GLY 53 -4.463 -11.015 -11.015 387 2HA GLY 53 HA1 GLY 53 -5.140 -11.623 -11.623 388 H VAL 54 HN VAL 54 -5.393 -14.368 -14.368 389 HA VAL 54 HA VAL 54 -2.900 -15.468 -15.468 390 HB VAL 54 HB VAL 54 -5.249 -16.457 -16.457 391 1HG1 VAL 54 HG13 VAL 54 -3.225 -17.703 -17.703 392 2HG1 VAL 54 HG12 VAL 54 -2.881 -18.082 -18.082 393 3HG1 VAL 54 HG11 VAL 54 -4.329 -18.729 -18.729 394 1HG2 VAL 54 HG23 VAL 54 -5.248 -15.928 -15.928 395 2HG2 VAL 54 HG22 VAL 54 -5.953 -17.446 -17.446 396 3HG2 VAL 54 HG21 VAL 54 -4.331 -17.428 -17.428 397 H GLN 55 HN GLN 55 -4.167 -14.871 -14.871 398 HA GLN 55 HA GLN 55 -1.873 -15.941 -15.941 399 1HB GLN 55 HB2 GLN 55 -4.215 -15.458 -15.458 400 2HB GLN 55 HB1 GLN 55 -3.771 -13.751 -13.751 401 1HG GLN 55 HG2 GLN 55 -3.093 -14.250 -14.250 402 2HG GLN 55 HG1 GLN 55 -1.638 -14.805 -14.805 403 1HE2 GLN 55 HE21 GLN 55 -1.046 -16.737 -16.737 404 2HE2 GLN 55 HE22 GLN 55 -2.108 -18.017 -18.017 405 H ASP 56 HN ASP 56 -2.764 -12.656 -12.656 406 HA ASP 56 HA ASP 56 -0.434 -11.347 -11.347 407 1HB ASP 56 HB2 ASP 56 -2.573 -10.268 -10.268 408 2HB ASP 56 HB1 ASP 56 -2.157 -10.664 -10.664 409 H CYS 57 HN CYS 57 -1.083 -13.243 -13.243 410 HA CYS 57 HA CYS 57 1.207 -12.426 -12.426 411 1HB CYS 57 HB2 CYS 57 -0.935 -13.654 -13.654 412 2HB CYS 57 HB1 CYS 57 -0.202 -15.110 -15.110 413 H MET 58 HN MET 58 0.602 -14.990 -14.990 414 HA MET 58 HA MET 58 3.132 -16.329 -16.329 415 1HB MET 58 HB2 MET 58 1.420 -16.029 -16.029 416 2HB MET 58 HB1 MET 58 2.400 -17.415 -17.415 417 1HG MET 58 HG2 MET 58 0.672 -17.027 -17.027 418 2HG MET 58 HG1 MET 58 -0.339 -16.766 -16.766 419 1HE MET 58 HE1 MET 58 -1.269 -18.451 -18.451 420 2HE MET 58 HE3 MET 58 0.304 -18.400 -18.400 421 3HE MET 58 HE2 MET 58 -0.468 -19.948 -19.948 422 H LYS 59 HN LYS 59 2.001 -13.575 -13.575 423 HA LYS 59 HA LYS 59 4.344 -13.323 -13.323 424 1HB LYS 59 HB2 LYS 59 1.837 -12.075 -12.075 425 2HB LYS 59 HB1 LYS 59 3.046 -10.812 -10.812 426 1HG LYS 59 HG2 LYS 59 3.015 -10.659 -10.659 427 2HG LYS 59 HG1 LYS 59 4.020 -12.107 -12.107 428 1HD LYS 59 HD2 LYS 59 2.272 -12.726 -12.726 429 2HD LYS 59 HD1 LYS 59 1.757 -13.393 -13.393 430 1HE LYS 59 HE2 LYS 59 -0.134 -12.213 -12.213 431 2HE LYS 59 HE1 LYS 59 0.422 -11.279 -11.279 432 1HZ LYS 59 HZ2 LYS 59 2.025 -10.503 -10.503 433 2HZ LYS 59 HZ1 LYS 59 0.456 -10.567 -10.567 434 3HZ LYS 59 HZ3 LYS 59 0.771 -9.598 -9.598 435 H LYS 60 HN LYS 60 3.334 -11.630 -11.630 436 HA LYS 60 HA LYS 60 5.823 -10.216 -10.216 437 1HB LYS 60 HB2 LYS 60 3.375 -10.893 -10.893 438 2HB LYS 60 HB1 LYS 60 4.760 -10.165 -10.165 439 1HG LYS 60 HG2 LYS 60 3.582 -8.982 -8.982 440 2HG LYS 60 HG1 LYS 60 2.986 -8.549 -8.549 441 1HD LYS 60 HD2 LYS 60 5.405 -8.009 -8.009 442 2HD LYS 60 HD1 LYS 60 5.772 -8.152 -8.152 443 1HE LYS 60 HE2 LYS 60 3.419 -6.480 -6.480 444 2HE LYS 60 HE1 LYS 60 4.858 -5.844 -5.844 445 1HZ LYS 60 HZ1 LYS 60 5.011 -6.894 -6.894 446 2HZ LYS 60 HZ3 LYS 60 4.534 -5.291 -5.291 447 3HZ LYS 60 HZ2 LYS 60 6.067 -5.820 -5.820 448 H LEU 61 HN LEU 61 4.852 -13.483 -13.483 449 HA LEU 61 HA LEU 61 6.639 -14.129 -14.129 450 1HB LEU 61 HB2 LEU 61 4.655 -15.360 -15.360 451 2HB LEU 61 HB1 LEU 61 6.065 -16.411 -16.411 452 HG LEU 61 HG LEU 61 4.265 -16.704 -16.704 453 1HD1 LEU 61 HD12 LEU 61 6.685 -17.426 -17.426 454 2HD1 LEU 61 HD11 LEU 61 7.005 -15.911 -15.911 455 3HD1 LEU 61 HD13 LEU 61 5.904 -17.097 -17.097 456 1HD2 LEU 61 HD23 LEU 61 4.515 -13.933 -13.933 457 2HD2 LEU 61 HD22 LEU 61 3.679 -14.966 -14.966 458 3HD2 LEU 61 HD21 LEU 61 5.361 -14.515 -14.515 459 H LYS 62 HN LYS 62 7.320 -13.175 -13.175 460 HA LYS 62 HA LYS 62 9.660 -15.003 -15.003 461 1HB LYS 62 HB2 LYS 62 7.953 -13.268 -13.268 462 2HB LYS 62 HB1 LYS 62 9.609 -13.591 -13.591 463 1HG LYS 62 HG2 LYS 62 9.239 -15.885 -15.885 464 2HG LYS 62 HG1 LYS 62 7.878 -15.870 -15.870 465 1HD LYS 62 HD2 LYS 62 6.466 -15.679 -15.679 466 2HD LYS 62 HD1 LYS 62 7.214 -14.138 -14.138 467 1HE LYS 62 HE2 LYS 62 8.706 -16.604 -16.604 468 2HE LYS 62 HE1 LYS 62 7.236 -16.224 -16.224 469 1HZ LYS 62 HZ2 LYS 62 8.068 -13.927 -13.927 470 2HZ LYS 62 HZ1 LYS 62 9.515 -14.389 -14.389 471 3HZ LYS 62 HZ3 LYS 62 9.098 -15.052 -15.052 472 HA PRO 63 HA PRO 63 11.645 -11.271 -11.271 473 1HB PRO 63 HB2 PRO 63 13.781 -12.631 -12.631 474 2HB PRO 63 HB1 PRO 63 12.229 -12.471 -12.471 475 1HG PRO 63 HG2 PRO 63 13.303 -14.759 -14.759 476 2HG PRO 63 HG1 PRO 63 12.390 -14.771 -14.771 477 1HD PRO 63 HD2 PRO 63 11.270 -15.301 -15.301 478 2HD PRO 63 HD1 PRO 63 10.369 -14.588 -14.588 479 H TYR 64 HN TYR 64 12.411 -10.265 -10.265 480 HA TYR 64 HA TYR 64 14.687 -11.578 -11.578 481 1HB TYR 64 HB2 TYR 64 12.257 -10.152 -10.152 482 2HB TYR 64 HB1 TYR 64 13.688 -9.457 -9.457 483 HD1 TYR 64 HD1 TYR 64 15.130 -10.827 -10.827 484 HD2 TYR 64 HD2 TYR 64 11.525 -12.405 -12.405 485 HE1 TYR 64 HE1 TYR 64 15.201 -12.725 -12.725 486 HE2 TYR 64 HE2 TYR 64 11.594 -14.303 -14.303 487 HH TYR 64 HH TYR 64 13.736 -15.471 -15.471 488 H SER 65 HN SER 65 14.376 -9.536 -9.536 489 HA SER 65 HA SER 65 16.783 -7.987 -7.987 490 1HB SER 65 HB2 SER 65 14.235 -6.594 -6.594 491 2HB SER 65 HB1 SER 65 15.709 -5.852 -5.852 492 HG SER 65 HG SER 65 14.564 -5.951 -5.951 493 H ILE 66 HN ILE 66 17.962 -8.637 -8.637 494 HA ILE 66 HA ILE 66 16.923 -7.840 -7.840 495 HB ILE 66 HB ILE 66 16.180 -10.130 -10.130 496 1HG1 ILE 66 HG12 ILE 66 18.711 -10.629 -10.629 497 2HG1 ILE 66 HG11 ILE 66 17.695 -9.307 -9.307 498 1HG2 ILE 66 HG22 ILE 66 18.623 -10.332 -10.332 499 2HG2 ILE 66 HG21 ILE 66 18.567 -11.607 -11.607 500 3HG2 ILE 66 HG23 ILE 66 17.254 -11.444 -11.444 501 1HD1 ILE 66 HD11 ILE 66 15.749 -10.881 -10.881 502 2HD1 ILE 66 HD13 ILE 66 16.847 -12.190 -12.190 503 3HD1 ILE 66 HD12 ILE 66 17.035 -11.359 -11.359 Start of MODEL 5 1 1H HIS 1 HT3 HIS 1 6.674 -28.036 -28.036 2 2H HIS 1 HT2 HIS 1 5.522 -26.970 -26.970 3 3H HIS 1 HT1 HIS 1 5.489 -27.356 -27.356 4 HA HIS 1 HA HIS 1 3.819 -28.724 -28.724 5 1HB HIS 1 HB2 HIS 1 4.998 -27.953 -27.953 6 2HB HIS 1 HB1 HIS 1 5.190 -29.706 -29.706 7 HD1 HIS 1 HD1 HIS 1 3.319 -30.500 -30.500 8 HD2 HIS 1 HD2 HIS 1 2.011 -27.696 -27.696 9 HE1 HIS 1 HE1 HIS 1 0.799 -30.386 -30.386 10 H PHE 2 HN PHE 2 5.202 -29.675 -29.675 11 HA PHE 2 HA PHE 2 5.776 -32.470 -32.470 12 1HB PHE 2 HB2 PHE 2 7.825 -30.504 -30.504 13 2HB PHE 2 HB1 PHE 2 8.145 -31.464 -31.464 14 HD1 PHE 2 HD1 PHE 2 7.326 -34.121 -34.121 15 HD2 PHE 2 HD2 PHE 2 9.078 -31.268 -31.268 16 HE1 PHE 2 HE1 PHE 2 8.160 -35.974 -35.974 17 HE2 PHE 2 HE2 PHE 2 9.914 -33.122 -33.122 18 HZ PHE 2 HZ PHE 2 9.456 -35.475 -35.475 19 H ALA 3 HN ALA 3 3.864 -31.740 -31.740 20 HA ALA 3 HA ALA 3 4.948 -32.524 -32.524 21 1HB ALA 3 HB1 ALA 3 3.685 -29.896 -29.896 22 2HB ALA 3 HB3 ALA 3 3.471 -30.531 -30.531 23 3HB ALA 3 HB2 ALA 3 5.091 -30.199 -30.199 24 H ALA 4 HN ALA 4 3.160 -33.179 -33.179 25 HA ALA 4 HA ALA 4 0.642 -33.858 -33.858 26 1HB ALA 4 HB2 ALA 4 2.658 -35.464 -35.464 27 2HB ALA 4 HB1 ALA 4 1.067 -35.733 -35.733 28 3HB ALA 4 HB3 ALA 4 1.316 -35.992 -35.992 29 H ASP 5 HN ASP 5 2.003 -32.260 -32.260 30 HA ASP 5 HA ASP 5 0.114 -32.658 -32.658 31 1HB ASP 5 HB2 ASP 5 1.693 -30.222 -30.222 32 2HB ASP 5 HB1 ASP 5 0.889 -30.363 -30.363 33 H CYS 6 HN CYS 6 -2.083 -32.614 -32.614 34 HA CYS 6 HA CYS 6 -3.147 -30.474 -30.474 35 1HB CYS 6 HB2 CYS 6 -4.454 -32.805 -32.805 36 2HB CYS 6 HB1 CYS 6 -5.207 -31.818 -31.818 37 H CYS 7 HN CYS 7 -4.944 -29.102 -29.102 38 HA CYS 7 HA CYS 7 -4.574 -28.280 -28.280 39 1HB CYS 7 HB2 CYS 7 -5.517 -27.152 -27.152 40 2HB CYS 7 HB1 CYS 7 -6.427 -26.614 -26.614 41 H THR 8 HN THR 8 -6.160 -28.511 -28.511 42 HA THR 8 HA THR 8 -8.606 -30.056 -30.056 43 HB THR 8 HB THR 8 -8.636 -30.500 -30.500 44 HG1 THR 8 HG1 THR 8 -7.454 -29.259 -29.259 45 1HG2 THR 8 HG22 THR 8 -7.472 -32.015 -32.015 46 2HG2 THR 8 HG21 THR 8 -5.990 -31.085 -31.085 47 3HG2 THR 8 HG23 THR 8 -6.688 -31.981 -31.981 48 H SER 9 HN SER 9 -7.505 -26.956 -26.956 49 HA SER 9 HA SER 9 -10.179 -25.813 -25.813 50 1HB SER 9 HB2 SER 9 -10.127 -25.082 -25.082 51 2HB SER 9 HB1 SER 9 -10.190 -26.837 -26.837 52 HG SER 9 HG SER 9 -7.796 -25.356 -25.356 53 H TYR 10 HN TYR 10 -9.974 -23.604 -23.604 54 HA TYR 10 HA TYR 10 -7.222 -22.571 -22.571 55 1HB TYR 10 HB2 TYR 10 -9.924 -21.371 -21.371 56 2HB TYR 10 HB1 TYR 10 -8.359 -20.853 -20.853 57 HD1 TYR 10 HD1 TYR 10 -6.937 -22.630 -22.630 58 HD2 TYR 10 HD2 TYR 10 -11.145 -23.044 -23.044 59 HE1 TYR 10 HE1 TYR 10 -7.088 -24.339 -24.339 60 HE2 TYR 10 HE2 TYR 10 -11.299 -24.747 -24.747 61 HH TYR 10 HH TYR 10 -10.200 -25.906 -25.906 62 H ILE 11 HN ILE 11 -7.061 -20.084 -20.084 63 HA ILE 11 HA ILE 11 -7.363 -19.796 -19.796 64 HB ILE 11 HB ILE 11 -6.135 -17.806 -17.806 65 1HG1 ILE 11 HG12 ILE 11 -7.846 -16.833 -16.833 66 2HG1 ILE 11 HG11 ILE 11 -6.169 -16.462 -16.462 67 1HG2 ILE 11 HG21 ILE 11 -5.047 -19.942 -19.942 68 2HG2 ILE 11 HG23 ILE 11 -5.406 -19.308 -19.308 69 3HG2 ILE 11 HG22 ILE 11 -4.350 -18.406 -18.406 70 1HD1 ILE 11 HD13 ILE 11 -6.188 -18.457 -18.457 71 2HD1 ILE 11 HD12 ILE 11 -7.929 -18.562 -18.562 72 3HD1 ILE 11 HD11 ILE 11 -7.239 -17.129 -17.129 73 H SER 12 HN SER 12 -8.364 -17.485 -17.485 74 HA SER 12 HA SER 12 -11.162 -17.490 -17.490 75 1HB SER 12 HB2 SER 12 -11.059 -15.984 -15.984 76 2HB SER 12 HB1 SER 12 -11.457 -17.698 -17.698 77 HG SER 12 HG SER 12 -9.783 -17.535 -17.535 78 H GLN 13 HN GLN 13 -8.312 -15.712 -15.712 79 HA GLN 13 HA GLN 13 -9.808 -13.345 -13.345 80 1HB GLN 13 HB2 GLN 13 -8.476 -11.857 -11.857 81 2HB GLN 13 HB1 GLN 13 -9.163 -13.082 -13.082 82 1HG GLN 13 HG2 GLN 13 -7.069 -14.352 -14.352 83 2HG GLN 13 HG1 GLN 13 -6.380 -13.194 -13.194 84 1HE2 GLN 13 HE21 GLN 13 -8.365 -12.516 -12.516 85 2HE2 GLN 13 HE22 GLN 13 -7.172 -11.598 -11.598 86 H SER 14 HN SER 14 -7.744 -11.731 -11.731 87 HA SER 14 HA SER 14 -6.621 -12.920 -12.920 88 1HB SER 14 HB2 SER 14 -6.946 -10.480 -10.480 89 2HB SER 14 HB1 SER 14 -5.562 -10.589 -10.589 90 HG SER 14 HG SER 14 -5.643 -10.924 -10.924 91 H ILE 15 HN ILE 15 -4.547 -13.815 -13.815 92 HA ILE 15 HA ILE 15 -3.267 -15.207 -15.207 93 HB ILE 15 HB ILE 15 -2.562 -14.682 -14.682 94 1HG1 ILE 15 HG12 ILE 15 -4.631 -16.062 -16.062 95 2HG1 ILE 15 HG11 ILE 15 -3.496 -16.814 -16.814 96 1HG2 ILE 15 HG22 ILE 15 -0.568 -15.171 -15.171 97 2HG2 ILE 15 HG21 ILE 15 -1.308 -16.727 -16.727 98 3HG2 ILE 15 HG23 ILE 15 -0.837 -16.347 -16.347 99 1HD1 ILE 15 HD12 ILE 15 -2.706 -17.321 -17.321 100 2HD1 ILE 15 HD11 ILE 15 -4.368 -17.845 -17.845 101 3HD1 ILE 15 HD13 ILE 15 -3.067 -18.476 -18.476 102 HA PRO 16 HA PRO 16 -0.525 -11.904 -11.904 103 1HB PRO 16 HB2 PRO 16 1.102 -13.352 -13.352 104 2HB PRO 16 HB1 PRO 16 -0.531 -12.841 -12.841 105 1HG PRO 16 HG2 PRO 16 0.442 -15.495 -15.495 106 2HG PRO 16 HG1 PRO 16 -0.805 -15.100 -15.100 107 1HD PRO 16 HD2 PRO 16 -1.291 -15.907 -15.907 108 2HD PRO 16 HD1 PRO 16 -2.437 -15.008 -15.008 109 H CYS 17 HN CYS 17 0.360 -11.878 -11.878 110 HA CYS 17 HA CYS 17 2.454 -13.566 -13.566 111 1HB CYS 17 HB2 CYS 17 2.064 -10.605 -10.605 112 2HB CYS 17 HB1 CYS 17 2.818 -11.766 -11.766 113 H SER 18 HN SER 18 2.468 -10.812 -10.812 114 HA SER 18 HA SER 18 5.297 -10.255 -10.255 115 1HB SER 18 HB2 SER 18 3.120 -9.004 -9.004 116 2HB SER 18 HB1 SER 18 3.619 -9.751 -9.751 117 HG SER 18 HG SER 18 4.550 -7.568 -7.568 118 H LEU 19 HN LEU 19 4.019 -13.126 -13.126 119 HA LEU 19 HA LEU 19 6.125 -13.509 -13.509 120 1HB LEU 19 HB2 LEU 19 3.302 -13.460 -13.460 121 2HB LEU 19 HB1 LEU 19 3.799 -15.144 -15.144 122 HG LEU 19 HG LEU 19 5.562 -13.244 -13.244 123 1HD1 LEU 19 HD13 LEU 19 3.098 -12.353 -12.353 124 2HD1 LEU 19 HD12 LEU 19 2.877 -13.728 -13.728 125 3HD1 LEU 19 HD11 LEU 19 4.077 -12.492 -12.492 126 1HD2 LEU 19 HD22 LEU 19 4.118 -15.826 -15.826 127 2HD2 LEU 19 HD21 LEU 19 5.845 -15.586 -15.586 128 3HD2 LEU 19 HD23 LEU 19 5.081 -14.962 -14.962 129 H MET 20 HN MET 20 4.949 -14.454 -14.454 130 HA MET 20 HA MET 20 5.677 -17.323 -17.323 131 1HB MET 20 HB2 MET 20 4.539 -16.028 -16.028 132 2HB MET 20 HB1 MET 20 4.417 -17.712 -17.712 133 1HG MET 20 HG2 MET 20 3.220 -15.523 -15.523 134 2HG MET 20 HG1 MET 20 2.345 -16.174 -16.174 135 1HE MET 20 HE1 MET 20 0.615 -16.703 -16.703 136 2HE MET 20 HE3 MET 20 0.331 -18.426 -18.426 137 3HE MET 20 HE2 MET 20 0.411 -17.308 -17.308 138 H LYS 21 HN LYS 21 7.508 -18.170 -18.170 139 HA LYS 21 HA LYS 21 9.334 -16.294 -16.294 140 1HB LYS 21 HB2 LYS 21 10.996 -17.989 -17.989 141 2HB LYS 21 HB1 LYS 21 10.006 -17.774 -17.774 142 1HG LYS 21 HG2 LYS 21 9.365 -19.930 -19.930 143 2HG LYS 21 HG1 LYS 21 8.807 -19.755 -19.755 144 1HD LYS 21 HD2 LYS 21 10.543 -21.029 -21.029 145 2HD LYS 21 HD1 LYS 21 11.630 -19.749 -19.749 146 1HE LYS 21 HE2 LYS 21 11.135 -20.864 -20.864 147 2HE LYS 21 HE1 LYS 21 10.876 -22.292 -22.292 148 1HZ LYS 21 HZ1 LYS 21 12.994 -21.665 -21.665 149 2HZ LYS 21 HZ3 LYS 21 13.262 -20.522 -20.522 150 3HZ LYS 21 HZ2 LYS 21 13.195 -22.175 -22.175 151 H SER 22 HN SER 22 7.188 -18.965 -18.965 152 HA SER 22 HA SER 22 7.748 -18.709 -18.709 153 1HB SER 22 HB2 SER 22 9.267 -20.459 -20.459 154 2HB SER 22 HB1 SER 22 7.965 -21.501 -21.501 155 HG SER 22 HG SER 22 9.817 -19.985 -19.985 156 H TYR 23 HN TYR 23 6.316 -20.422 -20.422 157 HA TYR 23 HA TYR 23 3.913 -21.239 -21.239 158 1HB TYR 23 HB2 TYR 23 2.433 -19.893 -19.893 159 2HB TYR 23 HB1 TYR 23 3.742 -18.818 -18.818 160 HD1 TYR 23 HD1 TYR 23 2.584 -21.024 -21.024 161 HD2 TYR 23 HD2 TYR 23 5.086 -17.730 -17.730 162 HE1 TYR 23 HE1 TYR 23 3.095 -20.576 -20.576 163 HE2 TYR 23 HE2 TYR 23 5.598 -17.281 -17.281 164 HH TYR 23 HH TYR 23 3.915 -18.943 -18.943 165 H PHE 24 HN PHE 24 2.663 -22.872 -22.872 166 HA PHE 24 HA PHE 24 3.736 -23.692 -23.692 167 1HB PHE 24 HB2 PHE 24 4.507 -25.777 -25.777 168 2HB PHE 24 HB1 PHE 24 4.949 -24.736 -24.736 169 HD1 PHE 24 HD1 PHE 24 2.222 -26.999 -26.999 170 HD2 PHE 24 HD2 PHE 24 4.165 -25.201 -25.201 171 HE1 PHE 24 HE1 PHE 24 0.860 -28.398 -28.398 172 HE2 PHE 24 HE2 PHE 24 2.803 -26.603 -26.603 173 HZ PHE 24 HZ PHE 24 1.152 -28.202 -28.202 174 H GLU 25 HN GLU 25 2.218 -24.823 -24.823 175 HA GLU 25 HA GLU 25 -0.566 -24.771 -24.771 176 1HB GLU 25 HB2 GLU 25 0.859 -25.065 -25.065 177 2HB GLU 25 HB1 GLU 25 -0.825 -25.571 -25.571 178 1HG GLU 25 HG2 GLU 25 -1.154 -23.228 -23.228 179 2HG GLU 25 HG1 GLU 25 0.354 -22.827 -22.827 180 H THR 26 HN THR 26 -1.793 -26.655 -26.655 181 HA THR 26 HA THR 26 -0.287 -29.151 -29.151 182 HB THR 26 HB THR 26 -2.391 -29.890 -29.890 183 HG1 THR 26 HG1 THR 26 -4.093 -28.146 -28.146 184 1HG2 THR 26 HG23 THR 26 -1.451 -27.094 -27.094 185 2HG2 THR 26 HG22 THR 26 -2.790 -27.791 -27.791 186 3HG2 THR 26 HG21 THR 26 -1.205 -28.564 -28.564 187 H SER 27 HN SER 27 -1.435 -31.227 -31.227 188 HA SER 27 HA SER 27 -1.654 -31.036 -31.036 189 1HB SER 27 HB2 SER 27 -2.123 -33.400 -33.400 190 2HB SER 27 HB1 SER 27 -1.620 -33.441 -33.441 191 HG SER 27 HG SER 27 0.180 -33.711 -33.711 192 H SER 28 HN SER 28 -3.547 -31.151 -31.151 193 HA SER 28 HA SER 28 -6.085 -30.654 -30.654 194 1HB SER 28 HB2 SER 28 -5.065 -30.145 -30.145 195 2HB SER 28 HB1 SER 28 -5.809 -31.693 -31.693 196 HG SER 28 HG SER 28 -7.729 -30.849 -30.849 197 H GLU 29 HN GLU 29 -4.337 -33.499 -33.499 198 HA GLU 29 HA GLU 29 -6.453 -35.381 -35.381 199 1HB GLU 29 HB2 GLU 29 -3.852 -35.569 -35.569 200 2HB GLU 29 HB1 GLU 29 -3.981 -35.948 -35.948 201 1HG GLU 29 HG2 GLU 29 -4.758 -38.030 -38.030 202 2HG GLU 29 HG1 GLU 29 -5.914 -37.434 -37.434 203 H CYS 30 HN CYS 30 -5.424 -33.708 -33.708 204 HA CYS 30 HA CYS 30 -6.592 -35.522 -35.522 205 1HB CYS 30 HB2 CYS 30 -5.125 -33.062 -33.062 206 2HB CYS 30 HB1 CYS 30 -6.526 -32.816 -32.816 207 H SER 31 HN SER 31 -8.621 -35.256 -35.256 208 HA SER 31 HA SER 31 -10.860 -34.483 -34.483 209 1HB SER 31 HB2 SER 31 -10.323 -35.162 -35.162 210 2HB SER 31 HB1 SER 31 -11.923 -34.574 -34.574 211 HG SER 31 HG SER 31 -11.788 -36.842 -36.842 212 H LYS 32 HN LYS 32 -8.663 -32.559 -32.559 213 HA LYS 32 HA LYS 32 -10.371 -30.168 -30.168 214 1HB LYS 32 HB2 LYS 32 -10.523 -31.442 -31.442 215 2HB LYS 32 HB1 LYS 32 -9.077 -30.483 -30.483 216 1HG LYS 32 HG2 LYS 32 -10.560 -28.533 -28.533 217 2HG LYS 32 HG1 LYS 32 -11.885 -29.574 -29.574 218 1HD LYS 32 HD2 LYS 32 -9.669 -28.420 -28.420 219 2HD LYS 32 HD1 LYS 32 -11.398 -28.090 -28.090 220 1HE LYS 32 HE2 LYS 32 -10.127 -30.816 -30.816 221 2HE LYS 32 HE1 LYS 32 -10.659 -29.711 -29.711 222 1HZ LYS 32 HZ1 LYS 32 -12.865 -29.669 -29.669 223 2HZ LYS 32 HZ3 LYS 32 -12.326 -30.906 -30.906 224 3HZ LYS 32 HZ2 LYS 32 -12.458 -31.189 -31.189 225 HA PRO 33 HA PRO 33 -6.045 -29.278 -29.278 226 1HB PRO 33 HB2 PRO 33 -6.655 -27.317 -27.317 227 2HB PRO 33 HB1 PRO 33 -6.654 -29.043 -29.043 228 1HG PRO 33 HG2 PRO 33 -8.939 -27.234 -27.234 229 2HG PRO 33 HG1 PRO 33 -8.827 -28.537 -28.537 230 1HD PRO 33 HD2 PRO 33 -10.087 -28.785 -28.785 231 2HD PRO 33 HD1 PRO 33 -9.368 -30.149 -30.149 232 H GLY 34 HN GLY 34 -5.044 -26.887 -26.887 233 1HA GLY 34 HA2 GLY 34 -5.959 -24.547 -24.547 234 2HA GLY 34 HA1 GLY 34 -5.805 -25.490 -25.490 235 H VAL 35 HN VAL 35 -4.249 -23.183 -23.183 236 HA VAL 35 HA VAL 35 -1.532 -24.294 -24.294 237 HB VAL 35 HB VAL 35 -2.010 -22.442 -22.442 238 1HG1 VAL 35 HG13 VAL 35 -3.288 -21.269 -21.269 239 2HG1 VAL 35 HG12 VAL 35 -2.881 -20.266 -20.266 240 3HG1 VAL 35 HG11 VAL 35 -4.029 -21.594 -21.594 241 1HG2 VAL 35 HG22 VAL 35 0.007 -22.265 -22.265 242 2HG2 VAL 35 HG21 VAL 35 -0.192 -21.174 -21.174 243 3HG2 VAL 35 HG23 VAL 35 -0.823 -20.723 -20.723 244 H ILE 36 HN ILE 36 -0.153 -24.545 -24.545 245 HA ILE 36 HA ILE 36 -0.968 -23.340 -23.340 246 HB ILE 36 HB ILE 36 0.575 -25.764 -25.764 247 1HG1 ILE 36 HG12 ILE 36 -1.704 -25.210 -25.210 248 2HG1 ILE 36 HG11 ILE 36 -1.785 -26.069 -26.069 249 1HG2 ILE 36 HG22 ILE 36 0.811 -24.315 -24.315 250 2HG2 ILE 36 HG21 ILE 36 1.084 -26.052 -26.052 251 3HG2 ILE 36 HG23 ILE 36 2.102 -24.940 -24.940 252 1HD1 ILE 36 HD12 ILE 36 -0.224 -27.792 -27.792 253 2HD1 ILE 36 HD11 ILE 36 -0.338 -26.967 -26.967 254 3HD1 ILE 36 HD13 ILE 36 -1.772 -27.706 -27.706 255 H PHE 37 HN PHE 37 0.282 -21.716 -21.716 256 HA PHE 37 HA PHE 37 2.804 -21.017 -21.017 257 1HB PHE 37 HB2 PHE 37 1.016 -19.675 -19.675 258 2HB PHE 37 HB1 PHE 37 2.560 -18.985 -18.985 259 HD1 PHE 37 HD1 PHE 37 -0.801 -20.014 -20.014 260 HD2 PHE 37 HD2 PHE 37 2.825 -17.909 -17.909 261 HE1 PHE 37 HE1 PHE 37 -1.888 -19.047 -19.047 262 HE2 PHE 37 HE2 PHE 37 1.737 -16.950 -16.950 263 HZ PHE 37 HZ PHE 37 -0.617 -17.517 -17.517 264 H LEU 38 HN LEU 38 4.806 -21.348 -21.348 265 HA LEU 38 HA LEU 38 4.812 -22.648 -22.648 266 1HB LEU 38 HB2 LEU 38 6.297 -22.818 -22.818 267 2HB LEU 38 HB1 LEU 38 7.392 -22.576 -22.576 268 HG LEU 38 HG LEU 38 6.925 -24.991 -24.991 269 1HD1 LEU 38 HD13 LEU 38 6.776 -23.570 -23.570 270 2HD1 LEU 38 HD12 LEU 38 5.613 -24.893 -24.893 271 3HD1 LEU 38 HD11 LEU 38 7.311 -25.230 -25.230 272 1HD2 LEU 38 HD22 LEU 38 4.602 -24.700 -24.700 273 2HD2 LEU 38 HD21 LEU 38 4.681 -25.862 -25.862 274 3HD2 LEU 38 HD23 LEU 38 4.105 -24.223 -24.223 275 H THR 39 HN THR 39 5.293 -21.344 -21.344 276 HA THR 39 HA THR 39 6.419 -18.661 -18.661 277 HB THR 39 HB THR 39 5.565 -18.158 -18.158 278 HG1 THR 39 HG1 THR 39 5.739 -19.490 -19.490 279 1HG2 THR 39 HG21 THR 39 3.944 -19.567 -19.567 280 2HG2 THR 39 HG23 THR 39 3.658 -20.363 -20.363 281 3HG2 THR 39 HG22 THR 39 3.389 -18.628 -18.628 282 H LYS 40 HN LYS 40 8.217 -17.874 -17.874 283 HA LYS 40 HA LYS 40 10.521 -19.577 -19.577 284 1HB LYS 40 HB2 LYS 40 9.752 -16.865 -16.865 285 2HB LYS 40 HB1 LYS 40 11.029 -17.497 -17.497 286 1HG LYS 40 HG2 LYS 40 12.556 -17.576 -17.576 287 2HG LYS 40 HG1 LYS 40 11.345 -18.026 -18.026 288 1HD LYS 40 HD2 LYS 40 10.458 -15.658 -15.658 289 2HD LYS 40 HD1 LYS 40 11.867 -15.267 -15.267 290 1HE LYS 40 HE2 LYS 40 13.372 -15.653 -15.653 291 2HE LYS 40 HE1 LYS 40 12.167 -16.571 -16.571 292 1HZ LYS 40 HZ2 LYS 40 10.854 -14.298 -14.298 293 2HZ LYS 40 HZ1 LYS 40 12.438 -13.685 -13.685 294 3HZ LYS 40 HZ3 LYS 40 11.858 -14.560 -14.560 295 H LYS 41 HN LYS 41 8.166 -18.907 -18.907 296 HA LYS 41 HA LYS 41 9.710 -19.967 -19.967 297 1HB LYS 41 HB2 LYS 41 7.557 -18.444 -18.444 298 2HB LYS 41 HB1 LYS 41 6.710 -19.990 -19.990 299 1HG LYS 41 HG2 LYS 41 7.746 -20.563 -20.563 300 2HG LYS 41 HG1 LYS 41 8.793 -19.145 -19.145 301 1HD LYS 41 HD2 LYS 41 5.894 -18.585 -18.585 302 2HD LYS 41 HD1 LYS 41 6.420 -19.200 -19.200 303 1HE LYS 41 HE2 LYS 41 8.382 -17.326 -17.326 304 2HE LYS 41 HE1 LYS 41 6.875 -16.567 -16.567 305 1HZ LYS 41 HZ1 LYS 41 7.106 -17.946 -17.946 306 2HZ LYS 41 HZ3 LYS 41 7.442 -16.293 -16.293 307 3HZ LYS 41 HZ2 LYS 41 5.887 -16.883 -16.883 308 H GLY 42 HN GLY 42 8.477 -21.521 -21.521 309 1HA GLY 42 HA2 GLY 42 8.564 -23.873 -23.873 310 2HA GLY 42 HA1 GLY 42 8.673 -24.142 -24.142 311 H ARG 43 HN ARG 43 6.241 -21.933 -21.933 312 HA ARG 43 HA ARG 43 4.146 -23.870 -23.870 313 1HB ARG 43 HB2 ARG 43 4.643 -21.203 -21.203 314 2HB ARG 43 HB1 ARG 43 3.421 -21.125 -21.125 315 1HG ARG 43 HG2 ARG 43 2.338 -23.052 -23.052 316 2HG ARG 43 HG1 ARG 43 3.192 -22.108 -22.108 317 1HD ARG 43 HD2 ARG 43 2.091 -20.034 -20.034 318 2HD ARG 43 HD1 ARG 43 1.037 -21.167 -21.167 319 HE ARG 43 HE ARG 43 1.136 -21.923 -21.923 320 1HH1 ARG 43 HH11 ARG 43 -1.443 -21.737 -21.737 321 2HH1 ARG 43 HH12 ARG 43 -2.171 -20.329 -20.329 322 1HH2 ARG 43 HH21 ARG 43 0.804 -19.109 -19.109 323 2HH2 ARG 43 HH22 ARG 43 -0.899 -18.842 -18.842 324 H GLN 44 HN GLN 44 2.012 -23.540 -23.540 325 HA GLN 44 HA GLN 44 2.568 -23.212 -23.212 326 1HB GLN 44 HB2 GLN 44 1.337 -25.433 -25.433 327 2HB GLN 44 HB1 GLN 44 2.956 -25.543 -25.543 328 1HG GLN 44 HG2 GLN 44 2.181 -26.168 -26.168 329 2HG GLN 44 HG1 GLN 44 0.727 -25.179 -25.179 330 1HE2 GLN 44 HE21 GLN 44 1.954 -27.757 -27.757 331 2HE2 GLN 44 HE22 GLN 44 0.564 -28.726 -28.726 332 H VAL 45 HN VAL 45 0.846 -22.220 -22.220 333 HA VAL 45 HA VAL 45 -1.703 -21.968 -21.968 334 HB VAL 45 HB VAL 45 -0.297 -20.181 -20.181 335 1HG1 VAL 45 HG11 VAL 45 -3.077 -20.106 -20.106 336 2HG1 VAL 45 HG13 VAL 45 -2.249 -18.601 -18.601 337 3HG1 VAL 45 HG12 VAL 45 -2.554 -19.802 -19.802 338 1HG2 VAL 45 HG22 VAL 45 -0.445 -20.360 -20.360 339 2HG2 VAL 45 HG21 VAL 45 0.696 -19.476 -19.476 340 3HG2 VAL 45 HG23 VAL 45 -0.865 -18.759 -18.759 341 H CYS 46 HN CYS 46 -3.698 -22.015 -22.015 342 HA CYS 46 HA CYS 46 -3.392 -23.509 -23.509 343 1HB CYS 46 HB2 CYS 46 -5.037 -23.814 -23.814 344 2HB CYS 46 HB1 CYS 46 -5.943 -23.973 -23.973 345 H ALA 47 HN ALA 47 -4.067 -22.322 -22.322 346 HA ALA 47 HA ALA 47 -6.212 -20.274 -20.274 347 1HB ALA 47 HB1 ALA 47 -3.602 -19.697 -19.697 348 2HB ALA 47 HB3 ALA 47 -4.122 -19.811 -19.811 349 3HB ALA 47 HB2 ALA 47 -4.903 -18.663 -18.663 350 H LYS 48 HN LYS 48 -7.475 -19.804 -19.804 351 HA LYS 48 HA LYS 48 -8.175 -22.140 -22.140 352 1HB LYS 48 HB2 LYS 48 -9.044 -19.401 -19.401 353 2HB LYS 48 HB1 LYS 48 -9.196 -19.833 -19.833 354 1HG LYS 48 HG2 LYS 48 -10.581 -21.715 -21.715 355 2HG LYS 48 HG1 LYS 48 -10.205 -21.617 -21.617 356 1HD LYS 48 HD2 LYS 48 -12.427 -20.679 -20.679 357 2HD LYS 48 HD1 LYS 48 -11.324 -19.387 -19.387 358 1HE LYS 48 HE2 LYS 48 -11.109 -18.618 -18.618 359 2HE LYS 48 HE1 LYS 48 -11.918 -20.066 -20.066 360 1HZ LYS 48 HZ3 LYS 48 -13.294 -18.486 -18.486 361 2HZ LYS 48 HZ2 LYS 48 -13.253 -17.856 -17.856 362 3HZ LYS 48 HZ1 LYS 48 -13.945 -19.380 -19.380 363 HA PRO 49 HA PRO 49 -5.722 -21.646 -21.646 364 1HB PRO 49 HB2 PRO 49 -7.497 -21.757 -21.757 365 2HB PRO 49 HB1 PRO 49 -7.072 -23.171 -23.171 366 1HG PRO 49 HG2 PRO 49 -9.483 -21.428 -21.428 367 2HG PRO 49 HG1 PRO 49 -9.345 -23.177 -23.177 368 1HD PRO 49 HD2 PRO 49 -9.589 -21.380 -21.380 369 2HD PRO 49 HD1 PRO 49 -8.831 -22.979 -22.979 370 H SER 50 HN SER 50 -8.595 -19.552 -19.552 371 HA SER 50 HA SER 50 -6.933 -17.391 -17.391 372 1HB SER 50 HB2 SER 50 -9.758 -18.340 -18.340 373 2HB SER 50 HB1 SER 50 -9.265 -16.708 -16.708 374 HG SER 50 HG SER 50 -7.982 -17.479 -17.479 375 H GLY 51 HN GLY 51 -7.400 -17.925 -17.925 376 1HA GLY 51 HA2 GLY 51 -9.470 -16.251 -16.251 377 2HA GLY 51 HA1 GLY 51 -8.033 -16.762 -16.762 378 HA PRO 52 HA PRO 52 -7.844 -12.264 -12.264 379 1HB PRO 52 HB2 PRO 52 -9.151 -10.873 -10.873 380 2HB PRO 52 HB1 PRO 52 -9.947 -11.442 -11.442 381 1HG PRO 52 HG2 PRO 52 -9.937 -12.644 -12.644 382 2HG PRO 52 HG1 PRO 52 -11.273 -12.470 -12.470 383 1HD PRO 52 HD2 PRO 52 -9.942 -14.805 -14.805 384 2HD PRO 52 HD1 PRO 52 -10.647 -14.334 -14.334 385 H GLY 53 HN GLY 53 -5.637 -12.708 -12.708 386 1HA GLY 53 HA2 GLY 53 -4.234 -11.215 -11.215 387 2HA GLY 53 HA1 GLY 53 -4.996 -12.245 -12.245 388 H VAL 54 HN VAL 54 -4.950 -14.614 -14.614 389 HA VAL 54 HA VAL 54 -2.448 -15.743 -15.743 390 HB VAL 54 HB VAL 54 -4.526 -16.443 -16.443 391 1HG1 VAL 54 HG11 VAL 54 -2.137 -17.398 -17.398 392 2HG1 VAL 54 HG13 VAL 54 -2.459 -18.359 -18.359 393 3HG1 VAL 54 HG12 VAL 54 -3.486 -18.533 -18.533 394 1HG2 VAL 54 HG22 VAL 54 -3.919 -17.488 -17.488 395 2HG2 VAL 54 HG21 VAL 54 -5.306 -16.502 -16.502 396 3HG2 VAL 54 HG23 VAL 54 -5.152 -18.149 -18.149 397 H GLN 55 HN GLN 55 -3.503 -14.264 -14.264 398 HA GLN 55 HA GLN 55 -1.093 -14.879 -14.879 399 1HB GLN 55 HB2 GLN 55 -3.583 -13.402 -13.402 400 2HB GLN 55 HB1 GLN 55 -2.234 -12.500 -12.500 401 1HG GLN 55 HG2 GLN 55 -2.688 -13.830 -13.830 402 2HG GLN 55 HG1 GLN 55 -1.643 -14.954 -14.954 403 1HE2 GLN 55 HE21 GLN 55 -2.563 -16.949 -16.949 404 2HE2 GLN 55 HE22 GLN 55 -4.224 -17.294 -17.294 405 H ASP 56 HN ASP 56 -1.995 -12.405 -12.405 406 HA ASP 56 HA ASP 56 0.108 -10.524 -10.524 407 1HB ASP 56 HB2 ASP 56 -1.947 -11.054 -11.054 408 2HB ASP 56 HB1 ASP 56 -0.521 -10.210 -10.210 409 H CYS 57 HN CYS 57 -0.196 -13.258 -13.258 410 HA CYS 57 HA CYS 57 2.389 -12.905 -12.905 411 1HB CYS 57 HB2 CYS 57 0.588 -15.313 -15.313 412 2HB CYS 57 HB1 CYS 57 2.004 -15.311 -15.311 413 H MET 58 HN MET 58 1.249 -14.791 -14.791 414 HA MET 58 HA MET 58 3.779 -16.049 -16.049 415 1HB MET 58 HB2 MET 58 1.479 -15.320 -15.320 416 2HB MET 58 HB1 MET 58 2.680 -16.580 -16.580 417 1HG MET 58 HG2 MET 58 1.807 -17.954 -17.954 418 2HG MET 58 HG1 MET 58 0.988 -16.610 -16.610 419 1HE MET 58 HE2 MET 58 0.370 -19.669 -19.669 420 2HE MET 58 HE1 MET 58 -0.714 -19.031 -19.031 421 3HE MET 58 HE3 MET 58 -1.351 -19.528 -19.528 422 H LYS 59 HN LYS 59 2.366 -12.913 -12.913 423 HA LYS 59 HA LYS 59 4.178 -12.197 -12.197 424 1HB LYS 59 HB2 LYS 59 2.178 -10.959 -10.959 425 2HB LYS 59 HB1 LYS 59 3.403 -9.856 -9.856 426 1HG LYS 59 HG2 LYS 59 2.879 -10.997 -10.997 427 2HG LYS 59 HG1 LYS 59 1.372 -11.465 -11.465 428 1HD LYS 59 HD2 LYS 59 0.852 -9.138 -9.138 429 2HD LYS 59 HD1 LYS 59 2.416 -8.622 -8.622 430 1HE LYS 59 HE2 LYS 59 1.237 -10.176 -10.176 431 2HE LYS 59 HE1 LYS 59 -0.039 -9.099 -9.099 432 1HZ LYS 59 HZ2 LYS 59 2.736 -8.243 -8.243 433 2HZ LYS 59 HZ1 LYS 59 1.406 -8.033 -8.033 434 3HZ LYS 59 HZ3 LYS 59 1.448 -7.235 -7.235 435 H LYS 60 HN LYS 60 4.199 -11.742 -11.742 436 HA LYS 60 HA LYS 60 6.655 -10.232 -10.232 437 1HB LYS 60 HB2 LYS 60 4.966 -10.279 -10.279 438 2HB LYS 60 HB1 LYS 60 5.224 -12.010 -12.010 439 1HG LYS 60 HG2 LYS 60 6.497 -10.866 -10.866 440 2HG LYS 60 HG1 LYS 60 7.640 -11.499 -11.499 441 1HD LYS 60 HD2 LYS 60 7.396 -9.176 -9.176 442 2HD LYS 60 HD1 LYS 60 6.725 -8.656 -8.656 443 1HE LYS 60 HE2 LYS 60 8.809 -8.516 -8.516 444 2HE LYS 60 HE1 LYS 60 9.134 -10.204 -10.204 445 1HZ LYS 60 HZ3 LYS 60 9.536 -9.463 -9.463 446 2HZ LYS 60 HZ2 LYS 60 9.302 -7.849 -7.849 447 3HZ LYS 60 HZ1 LYS 60 10.620 -8.734 -8.734 448 H LEU 61 HN LEU 61 5.872 -13.649 -13.649 449 HA LEU 61 HA LEU 61 8.468 -14.642 -14.642 450 1HB LEU 61 HB2 LEU 61 5.894 -15.613 -15.613 451 2HB LEU 61 HB1 LEU 61 7.057 -16.394 -16.394 452 HG LEU 61 HG LEU 61 6.947 -17.809 -17.809 453 1HD1 LEU 61 HD13 LEU 61 9.287 -16.839 -16.839 454 2HD1 LEU 61 HD12 LEU 61 9.259 -16.094 -16.094 455 3HD1 LEU 61 HD11 LEU 61 9.169 -17.848 -17.848 456 1HD2 LEU 61 HD22 LEU 61 6.884 -15.213 -15.213 457 2HD2 LEU 61 HD21 LEU 61 5.768 -16.577 -16.577 458 3HD2 LEU 61 HD23 LEU 61 7.379 -16.703 -16.703 459 H LYS 62 HN LYS 62 7.525 -12.905 -12.905 460 HA LYS 62 HA LYS 62 9.357 -14.268 -14.268 461 1HB LYS 62 HB2 LYS 62 6.949 -13.249 -13.249 462 2HB LYS 62 HB1 LYS 62 7.832 -11.729 -11.729 463 1HG LYS 62 HG2 LYS 62 9.174 -12.611 -12.611 464 2HG LYS 62 HG1 LYS 62 8.499 -14.225 -14.225 465 1HD LYS 62 HD2 LYS 62 6.696 -13.724 -13.724 466 2HD LYS 62 HD1 LYS 62 6.397 -12.246 -12.246 467 1HE LYS 62 HE2 LYS 62 8.647 -11.581 -11.581 468 2HE LYS 62 HE1 LYS 62 7.724 -12.585 -12.585 469 1HZ LYS 62 HZ1 LYS 62 6.318 -10.600 -10.600 470 2HZ LYS 62 HZ3 LYS 62 7.142 -10.069 -10.069 471 3HZ LYS 62 HZ2 LYS 62 5.895 -11.215 -11.215 472 HA PRO 63 HA PRO 63 12.597 -11.445 -11.445 473 1HB PRO 63 HB2 PRO 63 14.210 -11.948 -11.948 474 2HB PRO 63 HB1 PRO 63 14.057 -13.057 -13.057 475 1HG PRO 63 HG2 PRO 63 12.776 -13.177 -13.177 476 2HG PRO 63 HG1 PRO 63 13.433 -14.484 -14.484 477 1HD PRO 63 HD2 PRO 63 10.767 -13.933 -13.933 478 2HD PRO 63 HD1 PRO 63 11.505 -14.693 -14.693 479 H TYR 64 HN TYR 64 12.172 -9.279 -9.279 480 HA TYR 64 HA TYR 64 12.462 -8.077 -8.077 481 1HB TYR 64 HB2 TYR 64 9.960 -9.010 -9.010 482 2HB TYR 64 HB1 TYR 64 9.897 -7.285 -7.285 483 HD1 TYR 64 HD1 TYR 64 11.151 -5.816 -5.816 484 HD2 TYR 64 HD2 TYR 64 9.217 -9.615 -9.615 485 HE1 TYR 64 HE1 TYR 64 10.845 -5.325 -5.325 486 HE2 TYR 64 HE2 TYR 64 8.910 -9.125 -9.125 487 HH TYR 64 HH TYR 64 9.229 -6.079 -6.079 488 H SER 65 HN SER 65 14.143 -7.433 -7.433 489 HA SER 65 HA SER 65 14.959 -5.666 -5.666 490 1HB SER 65 HB2 SER 65 14.368 -4.391 -4.391 491 2HB SER 65 HB1 SER 65 12.673 -4.349 -4.349 492 HG SER 65 HG SER 65 14.873 -2.978 -2.978 493 H ILE 66 HN ILE 66 14.293 -4.196 -4.196 494 HA ILE 66 HA ILE 66 12.334 -5.553 -5.553 495 HB ILE 66 HB ILE 66 14.548 -4.576 -4.576 496 1HG1 ILE 66 HG12 ILE 66 11.995 -3.598 -3.598 497 2HG1 ILE 66 HG11 ILE 66 12.940 -5.026 -5.026 498 1HG2 ILE 66 HG21 ILE 66 14.353 -2.526 -2.526 499 2HG2 ILE 66 HG23 ILE 66 13.081 -1.944 -1.944 500 3HG2 ILE 66 HG22 ILE 66 14.722 -2.158 -2.158 501 1HD1 ILE 66 HD11 ILE 66 13.972 -2.181 -2.181 502 2HD1 ILE 66 HD13 ILE 66 13.317 -3.094 -3.094 503 3HD1 ILE 66 HD12 ILE 66 14.791 -3.639 -3.639 Start of MODEL 6 1 1H HIS 1 HT2 HIS 1 12.198 -32.375 -32.375 2 2H HIS 1 HT1 HIS 1 13.161 -33.484 -33.484 3 3H HIS 1 HT3 HIS 1 13.127 -33.520 -33.520 4 HA HIS 1 HA HIS 1 11.745 -35.296 -35.296 5 1HB HIS 1 HB2 HIS 1 11.046 -33.304 -33.304 6 2HB HIS 1 HB1 HIS 1 9.926 -34.620 -34.620 7 HD1 HIS 1 HD1 HIS 1 11.158 -37.103 -37.103 8 HD2 HIS 1 HD2 HIS 1 13.069 -34.052 -34.052 9 HE1 HIS 1 HE1 HIS 1 12.795 -38.231 -38.231 10 H PHE 2 HN PHE 2 11.276 -34.408 -34.408 11 HA PHE 2 HA PHE 2 8.980 -32.604 -32.604 12 1HB PHE 2 HB2 PHE 2 11.132 -33.087 -33.087 13 2HB PHE 2 HB1 PHE 2 10.083 -34.313 -34.313 14 HD1 PHE 2 HD1 PHE 2 9.333 -30.904 -30.904 15 HD2 PHE 2 HD2 PHE 2 9.336 -33.491 -33.491 16 HE1 PHE 2 HE1 PHE 2 8.187 -29.149 -29.149 17 HE2 PHE 2 HE2 PHE 2 8.189 -31.735 -31.735 18 HZ PHE 2 HZ PHE 2 7.614 -29.564 -29.564 19 H ALA 3 HN ALA 3 6.875 -33.279 -33.279 20 HA ALA 3 HA ALA 3 6.233 -36.045 -36.045 21 1HB ALA 3 HB1 ALA 3 6.538 -35.345 -35.345 22 2HB ALA 3 HB3 ALA 3 4.797 -35.217 -35.217 23 3HB ALA 3 HB2 ALA 3 5.628 -36.735 -36.735 24 H ALA 4 HN ALA 4 3.509 -35.927 -35.927 25 HA ALA 4 HA ALA 4 2.506 -33.790 -33.790 26 1HB ALA 4 HB3 ALA 4 2.162 -36.461 -36.461 27 2HB ALA 4 HB2 ALA 4 0.807 -36.037 -36.037 28 3HB ALA 4 HB1 ALA 4 0.921 -35.344 -35.344 29 H ASP 5 HN ASP 5 1.250 -32.160 -32.160 30 HA ASP 5 HA ASP 5 0.189 -32.527 -32.527 31 1HB ASP 5 HB2 ASP 5 1.324 -30.045 -30.045 32 2HB ASP 5 HB1 ASP 5 0.754 -30.153 -30.153 33 H CYS 6 HN CYS 6 -1.819 -31.400 -31.400 34 HA CYS 6 HA CYS 6 -3.236 -30.191 -30.191 35 1HB CYS 6 HB2 CYS 6 -4.240 -32.559 -32.559 36 2HB CYS 6 HB1 CYS 6 -5.112 -31.762 -31.762 37 H CYS 7 HN CYS 7 -4.951 -28.786 -28.786 38 HA CYS 7 HA CYS 7 -4.786 -27.961 -27.961 39 1HB CYS 7 HB2 CYS 7 -5.573 -26.843 -26.843 40 2HB CYS 7 HB1 CYS 7 -6.506 -26.260 -26.260 41 H THR 8 HN THR 8 -6.463 -28.219 -28.219 42 HA THR 8 HA THR 8 -8.857 -29.753 -29.753 43 HB THR 8 HB THR 8 -8.799 -29.452 -29.452 44 HG1 THR 8 HG1 THR 8 -6.268 -30.311 -30.311 45 1HG2 THR 8 HG21 THR 8 -8.881 -31.479 -31.479 46 2HG2 THR 8 HG23 THR 8 -7.513 -31.880 -31.880 47 3HG2 THR 8 HG22 THR 8 -9.118 -31.665 -31.665 48 H SER 9 HN SER 9 -7.794 -26.687 -26.687 49 HA SER 9 HA SER 9 -10.460 -25.513 -25.513 50 1HB SER 9 HB2 SER 9 -9.422 -24.881 -24.881 51 2HB SER 9 HB1 SER 9 -11.046 -25.376 -25.376 52 HG SER 9 HG SER 9 -10.416 -27.111 -27.111 53 H TYR 10 HN TYR 10 -10.249 -23.269 -23.269 54 HA TYR 10 HA TYR 10 -7.477 -22.279 -22.279 55 1HB TYR 10 HB2 TYR 10 -10.180 -21.093 -21.093 56 2HB TYR 10 HB1 TYR 10 -8.615 -20.493 -20.493 57 HD1 TYR 10 HD1 TYR 10 -7.046 -22.378 -22.378 58 HD2 TYR 10 HD2 TYR 10 -11.332 -22.565 -22.565 59 HE1 TYR 10 HE1 TYR 10 -7.074 -24.016 -24.016 60 HE2 TYR 10 HE2 TYR 10 -11.360 -24.200 -24.200 61 HH TYR 10 HH TYR 10 -10.140 -25.418 -25.418 62 H ILE 11 HN ILE 11 -7.059 -19.959 -19.959 63 HA ILE 11 HA ILE 11 -7.463 -19.671 -19.671 64 HB ILE 11 HB ILE 11 -6.204 -17.679 -17.679 65 1HG1 ILE 11 HG12 ILE 11 -7.836 -16.664 -16.664 66 2HG1 ILE 11 HG11 ILE 11 -6.142 -16.355 -16.355 67 1HG2 ILE 11 HG21 ILE 11 -5.236 -19.919 -19.919 68 2HG2 ILE 11 HG23 ILE 11 -5.359 -19.071 -19.071 69 3HG2 ILE 11 HG22 ILE 11 -4.374 -18.399 -18.399 70 1HD1 ILE 11 HD12 ILE 11 -6.235 -18.406 -18.406 71 2HD1 ILE 11 HD11 ILE 11 -7.987 -18.364 -18.364 72 3HD1 ILE 11 HD13 ILE 11 -7.156 -17.005 -17.005 73 H SER 12 HN SER 12 -8.373 -17.373 -17.373 74 HA SER 12 HA SER 12 -11.170 -17.226 -17.226 75 1HB SER 12 HB2 SER 12 -10.980 -15.719 -15.719 76 2HB SER 12 HB1 SER 12 -11.429 -17.422 -17.422 77 HG SER 12 HG SER 12 -9.557 -16.676 -16.676 78 H GLN 13 HN GLN 13 -8.221 -15.480 -15.480 79 HA GLN 13 HA GLN 13 -9.604 -13.075 -13.075 80 1HB GLN 13 HB2 GLN 13 -7.763 -11.791 -11.791 81 2HB GLN 13 HB1 GLN 13 -9.024 -12.508 -12.508 82 1HG GLN 13 HG2 GLN 13 -7.580 -14.443 -14.443 83 2HG GLN 13 HG1 GLN 13 -6.327 -13.769 -13.769 84 1HE2 GLN 13 HE21 GLN 13 -8.047 -13.276 -13.276 85 2HE2 GLN 13 HE22 GLN 13 -6.903 -12.210 -12.210 86 H SER 14 HN SER 14 -7.355 -11.610 -11.610 87 HA SER 14 HA SER 14 -6.436 -12.798 -12.798 88 1HB SER 14 HB2 SER 14 -4.939 -10.693 -10.693 89 2HB SER 14 HB1 SER 14 -5.197 -10.798 -10.798 90 HG SER 14 HG SER 14 -7.119 -9.940 -9.940 91 H ILE 15 HN ILE 15 -4.298 -13.616 -13.616 92 HA ILE 15 HA ILE 15 -3.148 -15.351 -15.351 93 HB ILE 15 HB ILE 15 -2.619 -14.558 -14.558 94 1HG1 ILE 15 HG12 ILE 15 -4.320 -16.297 -16.297 95 2HG1 ILE 15 HG11 ILE 15 -3.122 -16.869 -16.869 96 1HG2 ILE 15 HG21 ILE 15 -0.799 -16.300 -16.300 97 2HG2 ILE 15 HG23 ILE 15 -0.675 -16.079 -16.079 98 3HG2 ILE 15 HG22 ILE 15 -0.381 -14.719 -14.719 99 1HD1 ILE 15 HD11 ILE 15 -1.766 -17.771 -17.771 100 2HD1 ILE 15 HD13 ILE 15 -3.027 -17.261 -17.261 101 3HD1 ILE 15 HD12 ILE 15 -3.367 -18.507 -18.507 102 HA PRO 16 HA PRO 16 -0.352 -12.328 -12.328 103 1HB PRO 16 HB2 PRO 16 1.005 -14.007 -14.007 104 2HB PRO 16 HB1 PRO 16 -0.637 -13.432 -13.432 105 1HG PRO 16 HG2 PRO 16 0.287 -16.068 -16.068 106 2HG PRO 16 HG1 PRO 16 -1.107 -15.664 -15.664 107 1HD PRO 16 HD2 PRO 16 -1.160 -16.242 -16.242 108 2HD PRO 16 HD1 PRO 16 -2.464 -15.484 -15.484 109 H CYS 17 HN CYS 17 0.766 -12.274 -12.274 110 HA CYS 17 HA CYS 17 2.941 -14.026 -14.026 111 1HB CYS 17 HB2 CYS 17 1.658 -11.670 -11.670 112 2HB CYS 17 HB1 CYS 17 3.392 -11.359 -11.359 113 H SER 18 HN SER 18 2.656 -11.362 -11.362 114 HA SER 18 HA SER 18 5.435 -10.644 -10.644 115 1HB SER 18 HB2 SER 18 2.894 -10.003 -10.003 116 2HB SER 18 HB1 SER 18 4.041 -10.281 -10.281 117 HG SER 18 HG SER 18 4.278 -8.177 -8.177 118 H LEU 19 HN LEU 19 3.959 -13.548 -13.548 119 HA LEU 19 HA LEU 19 6.107 -14.246 -14.246 120 1HB LEU 19 HB2 LEU 19 3.211 -14.202 -14.202 121 2HB LEU 19 HB1 LEU 19 3.846 -15.822 -15.822 122 HG LEU 19 HG LEU 19 5.603 -14.001 -14.001 123 1HD1 LEU 19 HD13 LEU 19 2.660 -13.476 -13.476 124 2HD1 LEU 19 HD12 LEU 19 3.937 -13.002 -13.002 125 3HD1 LEU 19 HD11 LEU 19 3.883 -12.308 -12.308 126 1HD2 LEU 19 HD21 LEU 19 4.841 -16.417 -16.417 127 2HD2 LEU 19 HD23 LEU 19 5.114 -15.331 -15.331 128 3HD2 LEU 19 HD22 LEU 19 3.471 -15.660 -15.660 129 H MET 20 HN MET 20 5.937 -14.654 -14.654 130 HA MET 20 HA MET 20 6.177 -17.624 -17.624 131 1HB MET 20 HB2 MET 20 4.891 -16.427 -16.427 132 2HB MET 20 HB1 MET 20 4.561 -17.957 -17.957 133 1HG MET 20 HG2 MET 20 3.770 -15.325 -15.325 134 2HG MET 20 HG1 MET 20 2.730 -16.152 -16.152 135 1HE MET 20 HE1 MET 20 1.354 -17.502 -17.502 136 2HE MET 20 HE3 MET 20 1.222 -18.904 -18.904 137 3HE MET 20 HE2 MET 20 0.534 -17.355 -17.355 138 H LYS 21 HN LYS 21 7.865 -18.328 -18.328 139 HA LYS 21 HA LYS 21 9.530 -16.247 -16.247 140 1HB LYS 21 HB2 LYS 21 11.254 -17.905 -17.905 141 2HB LYS 21 HB1 LYS 21 10.339 -18.036 -18.036 142 1HG LYS 21 HG2 LYS 21 8.936 -19.822 -19.822 143 2HG LYS 21 HG1 LYS 21 10.256 -19.848 -19.848 144 1HD LYS 21 HD2 LYS 21 11.794 -20.673 -20.673 145 2HD LYS 21 HD1 LYS 21 10.864 -20.084 -20.084 146 1HE LYS 21 HE2 LYS 21 10.025 -22.192 -22.192 147 2HE LYS 21 HE1 LYS 21 9.138 -21.867 -21.867 148 1HZ LYS 21 HZ3 LYS 21 11.994 -22.643 -22.643 149 2HZ LYS 21 HZ2 LYS 21 10.771 -23.821 -23.821 150 3HZ LYS 21 HZ1 LYS 21 10.871 -22.722 -22.722 151 H SER 22 HN SER 22 7.384 -18.895 -18.895 152 HA SER 22 HA SER 22 7.619 -18.189 -18.189 153 1HB SER 22 HB2 SER 22 9.483 -19.834 -19.834 154 2HB SER 22 HB1 SER 22 8.195 -21.024 -21.024 155 HG SER 22 HG SER 22 9.330 -20.772 -20.772 156 H TYR 23 HN TYR 23 6.224 -20.043 -20.043 157 HA TYR 23 HA TYR 23 3.908 -20.928 -20.928 158 1HB TYR 23 HB2 TYR 23 2.349 -19.634 -19.634 159 2HB TYR 23 HB1 TYR 23 3.582 -18.534 -18.534 160 HD1 TYR 23 HD1 TYR 23 2.718 -20.644 -20.644 161 HD2 TYR 23 HD2 TYR 23 4.888 -17.250 -17.250 162 HE1 TYR 23 HE1 TYR 23 3.326 -20.015 -20.015 163 HE2 TYR 23 HE2 TYR 23 5.498 -16.621 -16.621 164 HH TYR 23 HH TYR 23 4.004 -17.595 -17.595 165 H PHE 24 HN PHE 24 2.668 -22.611 -22.611 166 HA PHE 24 HA PHE 24 3.684 -23.382 -23.382 167 1HB PHE 24 HB2 PHE 24 4.554 -25.448 -25.448 168 2HB PHE 24 HB1 PHE 24 5.038 -24.354 -24.354 169 HD1 PHE 24 HD1 PHE 24 2.422 -26.827 -26.827 170 HD2 PHE 24 HD2 PHE 24 4.278 -24.680 -24.680 171 HE1 PHE 24 HE1 PHE 24 1.176 -28.209 -28.209 172 HE2 PHE 24 HE2 PHE 24 3.030 -26.064 -26.064 173 HZ PHE 24 HZ PHE 24 1.479 -27.828 -27.828 174 H GLU 25 HN GLU 25 2.252 -24.799 -24.799 175 HA GLU 25 HA GLU 25 -0.523 -24.810 -24.810 176 1HB GLU 25 HB2 GLU 25 -1.077 -25.305 -25.305 177 2HB GLU 25 HB1 GLU 25 0.116 -24.006 -24.006 178 1HG GLU 25 HG2 GLU 25 1.912 -25.614 -25.614 179 2HG GLU 25 HG1 GLU 25 0.757 -26.946 -26.946 180 H THR 26 HN THR 26 -1.626 -26.745 -26.745 181 HA THR 26 HA THR 26 -0.030 -29.090 -29.090 182 HB THR 26 HB THR 26 -2.172 -29.945 -29.945 183 HG1 THR 26 HG1 THR 26 -3.131 -27.972 -27.972 184 1HG2 THR 26 HG21 THR 26 -1.976 -26.949 -26.949 185 2HG2 THR 26 HG23 THR 26 -2.888 -28.065 -28.065 186 3HG2 THR 26 HG22 THR 26 -1.128 -28.177 -28.177 187 H SER 27 HN SER 27 -1.435 -31.262 -31.262 188 HA SER 27 HA SER 27 -1.012 -31.329 -31.329 189 1HB SER 27 HB2 SER 27 -1.675 -33.503 -33.503 190 2HB SER 27 HB1 SER 27 -1.074 -33.748 -33.748 191 HG SER 27 HG SER 27 0.873 -33.121 -33.121 192 H SER 28 HN SER 28 -2.701 -31.577 -31.577 193 HA SER 28 HA SER 28 -5.403 -31.023 -31.023 194 1HB SER 28 HB2 SER 28 -5.839 -31.146 -31.146 195 2HB SER 28 HB1 SER 28 -4.155 -30.629 -30.629 196 HG SER 28 HG SER 28 -4.936 -32.595 -32.595 197 H GLU 29 HN GLU 29 -3.597 -33.859 -33.859 198 HA GLU 29 HA GLU 29 -5.650 -35.812 -35.812 199 1HB GLU 29 HB2 GLU 29 -3.067 -36.010 -36.010 200 2HB GLU 29 HB1 GLU 29 -3.292 -36.185 -36.185 201 1HG GLU 29 HG2 GLU 29 -5.190 -37.892 -37.892 202 2HG GLU 29 HG1 GLU 29 -3.656 -38.159 -38.159 203 H CYS 30 HN CYS 30 -4.889 -33.869 -33.869 204 HA CYS 30 HA CYS 30 -6.199 -35.531 -35.531 205 1HB CYS 30 HB2 CYS 30 -4.759 -33.037 -33.037 206 2HB CYS 30 HB1 CYS 30 -6.203 -32.800 -32.800 207 H SER 31 HN SER 31 -8.310 -35.212 -35.212 208 HA SER 31 HA SER 31 -10.400 -34.536 -34.536 209 1HB SER 31 HB2 SER 31 -10.518 -34.578 -34.578 210 2HB SER 31 HB1 SER 31 -11.818 -34.969 -34.969 211 HG SER 31 HG SER 31 -9.694 -36.492 -36.492 212 H LYS 32 HN LYS 32 -8.355 -32.508 -32.508 213 HA LYS 32 HA LYS 32 -10.050 -30.159 -30.159 214 1HB LYS 32 HB2 LYS 32 -9.187 -31.055 -31.055 215 2HB LYS 32 HB1 LYS 32 -9.675 -29.394 -29.394 216 1HG LYS 32 HG2 LYS 32 -11.848 -30.241 -30.241 217 2HG LYS 32 HG1 LYS 32 -11.358 -31.880 -31.880 218 1HD LYS 32 HD2 LYS 32 -10.932 -30.197 -30.197 219 2HD LYS 32 HD1 LYS 32 -12.564 -29.900 -29.900 220 1HE LYS 32 HE2 LYS 32 -13.034 -32.328 -32.328 221 2HE LYS 32 HE1 LYS 32 -11.390 -32.635 -32.635 222 1HZ LYS 32 HZ3 LYS 32 -12.910 -30.581 -30.581 223 2HZ LYS 32 HZ2 LYS 32 -13.450 -32.177 -32.177 224 3HZ LYS 32 HZ1 LYS 32 -11.853 -31.754 -31.754 225 HA PRO 33 HA PRO 33 -5.703 -29.178 -29.178 226 1HB PRO 33 HB2 PRO 33 -6.241 -27.267 -27.267 227 2HB PRO 33 HB1 PRO 33 -6.204 -29.002 -29.002 228 1HG PRO 33 HG2 PRO 33 -8.529 -27.198 -27.198 229 2HG PRO 33 HG1 PRO 33 -8.347 -28.556 -28.556 230 1HD PRO 33 HD2 PRO 33 -9.719 -28.675 -28.675 231 2HD PRO 33 HD1 PRO 33 -9.014 -30.082 -30.082 232 H GLY 34 HN GLY 34 -4.847 -26.646 -26.646 233 1HA GLY 34 HA2 GLY 34 -5.967 -24.404 -24.404 234 2HA GLY 34 HA1 GLY 34 -5.591 -25.331 -25.331 235 H VAL 35 HN VAL 35 -4.220 -23.196 -23.196 236 HA VAL 35 HA VAL 35 -1.490 -23.812 -23.812 237 HB VAL 35 HB VAL 35 -3.103 -21.260 -21.260 238 1HG1 VAL 35 HG11 VAL 35 -0.872 -20.874 -20.874 239 2HG1 VAL 35 HG13 VAL 35 -0.101 -21.423 -21.423 240 3HG1 VAL 35 HG12 VAL 35 -1.092 -19.964 -19.964 241 1HG2 VAL 35 HG21 VAL 35 -2.907 -22.894 -22.894 242 2HG2 VAL 35 HG23 VAL 35 -2.671 -21.172 -21.172 243 3HG2 VAL 35 HG22 VAL 35 -1.276 -22.245 -22.245 244 H ILE 36 HN ILE 36 -0.199 -24.247 -24.247 245 HA ILE 36 HA ILE 36 -0.939 -22.979 -22.979 246 HB ILE 36 HB ILE 36 0.586 -25.444 -25.444 247 1HG1 ILE 36 HG12 ILE 36 -1.795 -24.870 -24.870 248 2HG1 ILE 36 HG11 ILE 36 -1.800 -25.725 -25.725 249 1HG2 ILE 36 HG22 ILE 36 0.677 -23.976 -23.976 250 2HG2 ILE 36 HG21 ILE 36 0.937 -25.717 -25.717 251 3HG2 ILE 36 HG23 ILE 36 2.020 -24.624 -24.624 252 1HD1 ILE 36 HD12 ILE 36 -0.298 -26.666 -26.666 253 2HD1 ILE 36 HD11 ILE 36 -1.897 -27.251 -27.251 254 3HD1 ILE 36 HD13 ILE 36 -0.509 -27.550 -27.550 255 H PHE 37 HN PHE 37 0.425 -21.466 -21.466 256 HA PHE 37 HA PHE 37 2.883 -20.747 -20.747 257 1HB PHE 37 HB2 PHE 37 1.403 -19.534 -19.534 258 2HB PHE 37 HB1 PHE 37 2.816 -18.805 -18.805 259 HD1 PHE 37 HD1 PHE 37 -0.625 -20.065 -20.065 260 HD2 PHE 37 HD2 PHE 37 2.559 -17.406 -17.406 261 HE1 PHE 37 HE1 PHE 37 -2.094 -19.019 -19.019 262 HE2 PHE 37 HE2 PHE 37 1.087 -16.362 -16.362 263 HZ PHE 37 HZ PHE 37 -1.242 -17.165 -17.165 264 H LEU 38 HN LEU 38 4.942 -21.200 -21.200 265 HA LEU 38 HA LEU 38 5.078 -22.800 -22.800 266 1HB LEU 38 HB2 LEU 38 6.271 -22.851 -22.851 267 2HB LEU 38 HB1 LEU 38 7.561 -22.554 -22.554 268 HG LEU 38 HG LEU 38 5.518 -24.682 -24.682 269 1HD1 LEU 38 HD13 LEU 38 6.458 -24.985 -24.985 270 2HD1 LEU 38 HD12 LEU 38 8.044 -25.167 -25.167 271 3HD1 LEU 38 HD11 LEU 38 6.759 -26.319 -26.319 272 1HD2 LEU 38 HD21 LEU 38 7.170 -23.976 -23.976 273 2HD2 LEU 38 HD23 LEU 38 7.398 -25.656 -25.656 274 3HD2 LEU 38 HD22 LEU 38 8.475 -24.404 -24.404 275 H THR 39 HN THR 39 5.661 -21.725 -21.725 276 HA THR 39 HA THR 39 6.996 -19.090 -19.090 277 HB THR 39 HB THR 39 6.137 -18.751 -18.751 278 HG1 THR 39 HG1 THR 39 6.403 -20.262 -20.262 279 1HG2 THR 39 HG23 THR 39 4.438 -19.698 -19.698 280 2HG2 THR 39 HG22 THR 39 4.044 -20.734 -20.734 281 3HG2 THR 39 HG21 THR 39 3.921 -18.982 -18.982 282 H LYS 40 HN LYS 40 9.042 -18.687 -18.687 283 HA LYS 40 HA LYS 40 10.922 -20.857 -20.857 284 1HB LYS 40 HB2 LYS 40 11.439 -18.538 -18.538 285 2HB LYS 40 HB1 LYS 40 11.061 -17.967 -17.967 286 1HG LYS 40 HG2 LYS 40 12.953 -20.171 -20.171 287 2HG LYS 40 HG1 LYS 40 13.559 -18.852 -18.852 288 1HD LYS 40 HD2 LYS 40 12.722 -17.346 -17.346 289 2HD LYS 40 HD1 LYS 40 12.850 -18.843 -18.843 290 1HE LYS 40 HE2 LYS 40 15.002 -17.878 -17.878 291 2HE LYS 40 HE1 LYS 40 15.231 -19.010 -19.010 292 1HZ LYS 40 HZ1 LYS 40 14.210 -16.319 -16.319 293 2HZ LYS 40 HZ3 LYS 40 15.865 -16.481 -16.481 294 3HZ LYS 40 HZ2 LYS 40 15.177 -17.336 -17.336 295 H LYS 41 HN LYS 41 8.892 -19.229 -19.229 296 HA LYS 41 HA LYS 41 10.350 -19.960 -19.960 297 1HB LYS 41 HB2 LYS 41 7.934 -18.609 -18.609 298 2HB LYS 41 HB1 LYS 41 7.570 -19.705 -19.705 299 1HG LYS 41 HG2 LYS 41 9.478 -18.725 -18.725 300 2HG LYS 41 HG1 LYS 41 9.732 -17.577 -17.577 301 1HD LYS 41 HD2 LYS 41 7.692 -16.476 -16.476 302 2HD LYS 41 HD1 LYS 41 7.026 -17.840 -17.840 303 1HE LYS 41 HE2 LYS 41 7.628 -16.113 -16.113 304 2HE LYS 41 HE1 LYS 41 8.820 -17.417 -17.417 305 1HZ LYS 41 HZ1 LYS 41 9.141 -15.066 -15.066 306 2HZ LYS 41 HZ3 LYS 41 9.814 -15.155 -15.155 307 3HZ LYS 41 HZ2 LYS 41 10.306 -16.251 -16.251 308 H GLY 42 HN GLY 42 8.631 -21.826 -21.826 309 1HA GLY 42 HA2 GLY 42 8.481 -24.230 -24.230 310 2HA GLY 42 HA1 GLY 42 8.584 -24.100 -24.100 311 H ARG 43 HN ARG 43 6.403 -22.798 -22.798 312 HA ARG 43 HA ARG 43 4.096 -24.067 -24.067 313 1HB ARG 43 HB2 ARG 43 4.918 -21.474 -21.474 314 2HB ARG 43 HB1 ARG 43 3.649 -21.240 -21.240 315 1HG ARG 43 HG2 ARG 43 2.061 -21.711 -21.711 316 2HG ARG 43 HG1 ARG 43 2.827 -23.255 -23.255 317 1HD ARG 43 HD2 ARG 43 4.052 -22.365 -22.365 318 2HD ARG 43 HD1 ARG 43 4.027 -20.724 -20.724 319 HE ARG 43 HE ARG 43 1.637 -20.589 -20.589 320 1HH1 ARG 43 HH11 ARG 43 3.753 -22.332 -22.332 321 2HH1 ARG 43 HH12 ARG 43 2.534 -23.119 -23.119 322 1HH2 ARG 43 HH21 ARG 43 -0.090 -22.009 -22.009 323 2HH2 ARG 43 HH22 ARG 43 0.357 -22.936 -22.936 324 H GLN 44 HN GLN 44 2.029 -23.553 -23.553 325 HA GLN 44 HA GLN 44 2.597 -22.958 -22.958 326 1HB GLN 44 HB2 GLN 44 1.397 -25.552 -25.552 327 2HB GLN 44 HB1 GLN 44 1.582 -25.107 -25.107 328 1HG GLN 44 HG2 GLN 44 4.060 -24.887 -24.887 329 2HG GLN 44 HG1 GLN 44 3.798 -25.546 -25.546 330 1HE2 GLN 44 HE21 GLN 44 5.224 -27.392 -27.392 331 2HE2 GLN 44 HE22 GLN 44 4.506 -28.631 -28.631 332 H VAL 45 HN VAL 45 0.886 -21.859 -21.859 333 HA VAL 45 HA VAL 45 -1.660 -21.751 -21.751 334 HB VAL 45 HB VAL 45 -0.324 -19.870 -19.870 335 1HG1 VAL 45 HG11 VAL 45 -3.001 -19.725 -19.725 336 2HG1 VAL 45 HG13 VAL 45 -2.194 -18.305 -18.305 337 3HG1 VAL 45 HG12 VAL 45 -2.685 -19.618 -19.618 338 1HG2 VAL 45 HG22 VAL 45 -0.722 -19.906 -19.906 339 2HG2 VAL 45 HG21 VAL 45 0.776 -19.692 -19.692 340 3HG2 VAL 45 HG23 VAL 45 -0.421 -18.398 -18.398 341 H CYS 46 HN CYS 46 -3.680 -21.848 -21.848 342 HA CYS 46 HA CYS 46 -3.377 -23.282 -23.282 343 1HB CYS 46 HB2 CYS 46 -5.050 -23.538 -23.538 344 2HB CYS 46 HB1 CYS 46 -5.963 -23.653 -23.653 345 H ALA 47 HN ALA 47 -4.116 -22.204 -22.204 346 HA ALA 47 HA ALA 47 -6.122 -20.007 -20.007 347 1HB ALA 47 HB1 ALA 47 -3.659 -20.052 -20.052 348 2HB ALA 47 HB3 ALA 47 -4.829 -18.734 -18.734 349 3HB ALA 47 HB2 ALA 47 -3.841 -19.122 -19.122 350 H LYS 48 HN LYS 48 -7.443 -19.592 -19.592 351 HA LYS 48 HA LYS 48 -8.184 -22.033 -22.033 352 1HB LYS 48 HB2 LYS 48 -9.194 -19.392 -19.392 353 2HB LYS 48 HB1 LYS 48 -9.315 -19.712 -19.712 354 1HG LYS 48 HG2 LYS 48 -10.265 -22.029 -22.029 355 2HG LYS 48 HG1 LYS 48 -10.557 -21.219 -21.219 356 1HD LYS 48 HD2 LYS 48 -11.462 -19.990 -19.990 357 2HD LYS 48 HD1 LYS 48 -12.457 -21.180 -21.180 358 1HE LYS 48 HE2 LYS 48 -12.552 -19.779 -19.779 359 2HE LYS 48 HE1 LYS 48 -11.402 -18.630 -18.630 360 1HZ LYS 48 HZ3 LYS 48 -13.817 -19.379 -19.379 361 2HZ LYS 48 HZ2 LYS 48 -13.958 -18.239 -18.239 362 3HZ LYS 48 HZ1 LYS 48 -12.921 -17.941 -17.941 363 HA PRO 49 HA PRO 49 -6.012 -21.556 -21.556 364 1HB PRO 49 HB2 PRO 49 -7.910 -21.540 -21.540 365 2HB PRO 49 HB1 PRO 49 -7.491 -22.994 -22.994 366 1HG PRO 49 HG2 PRO 49 -9.800 -21.134 -21.134 367 2HG PRO 49 HG1 PRO 49 -9.748 -22.897 -22.897 368 1HD PRO 49 HD2 PRO 49 -9.781 -21.212 -21.212 369 2HD PRO 49 HD1 PRO 49 -9.044 -22.827 -22.827 370 H SER 50 HN SER 50 -8.731 -19.286 -19.286 371 HA SER 50 HA SER 50 -7.020 -17.204 -17.204 372 1HB SER 50 HB2 SER 50 -9.874 -18.035 -18.035 373 2HB SER 50 HB1 SER 50 -9.300 -16.426 -16.426 374 HG SER 50 HG SER 50 -8.563 -18.932 -18.932 375 H GLY 51 HN GLY 51 -7.642 -17.789 -17.789 376 1HA GLY 51 HA2 GLY 51 -9.622 -16.144 -16.144 377 2HA GLY 51 HA1 GLY 51 -8.086 -16.486 -16.486 378 HA PRO 52 HA PRO 52 -8.408 -12.082 -12.082 379 1HB PRO 52 HB2 PRO 52 -9.658 -10.701 -10.701 380 2HB PRO 52 HB1 PRO 52 -10.527 -11.408 -11.408 381 1HG PRO 52 HG2 PRO 52 -10.180 -12.462 -12.462 382 2HG PRO 52 HG1 PRO 52 -11.622 -12.456 -12.456 383 1HD PRO 52 HD2 PRO 52 -10.070 -14.654 -14.654 384 2HD PRO 52 HD1 PRO 52 -10.948 -14.322 -14.322 385 H GLY 53 HN GLY 53 -6.143 -12.137 -12.137 386 1HA GLY 53 HA2 GLY 53 -4.576 -10.661 -10.661 387 2HA GLY 53 HA1 GLY 53 -5.341 -11.324 -11.324 388 H VAL 54 HN VAL 54 -5.496 -14.033 -14.033 389 HA VAL 54 HA VAL 54 -3.048 -15.141 -15.141 390 HB VAL 54 HB VAL 54 -5.217 -16.137 -16.137 391 1HG1 VAL 54 HG12 VAL 54 -2.898 -17.312 -17.312 392 2HG1 VAL 54 HG11 VAL 54 -3.289 -17.910 -17.910 393 3HG1 VAL 54 HG13 VAL 54 -4.328 -18.313 -18.313 394 1HG2 VAL 54 HG22 VAL 54 -5.735 -15.519 -15.519 395 2HG2 VAL 54 HG21 VAL 54 -6.142 -17.167 -17.167 396 3HG2 VAL 54 HG23 VAL 54 -4.683 -16.856 -16.856 397 H GLN 55 HN GLN 55 -4.132 -14.432 -14.432 398 HA GLN 55 HA GLN 55 -1.726 -15.425 -15.425 399 1HB GLN 55 HB2 GLN 55 -4.196 -14.693 -14.693 400 2HB GLN 55 HB1 GLN 55 -3.323 -13.211 -13.211 401 1HG GLN 55 HG2 GLN 55 -2.109 -15.831 -15.831 402 2HG GLN 55 HG1 GLN 55 -3.459 -15.206 -15.206 403 1HE2 GLN 55 HE21 GLN 55 -0.527 -15.404 -15.404 404 2HE2 GLN 55 HE22 GLN 55 -0.068 -13.824 -13.824 405 H ASP 56 HN ASP 56 -2.731 -12.297 -12.297 406 HA ASP 56 HA ASP 56 -0.512 -10.763 -10.763 407 1HB ASP 56 HB2 ASP 56 -2.720 -10.560 -10.560 408 2HB ASP 56 HB1 ASP 56 -1.307 -9.586 -9.586 409 H CYS 57 HN CYS 57 -1.028 -12.863 -12.863 410 HA CYS 57 HA CYS 57 1.313 -12.105 -12.105 411 1HB CYS 57 HB2 CYS 57 -0.662 -13.389 -13.389 412 2HB CYS 57 HB1 CYS 57 -0.169 -14.753 -14.753 413 H MET 58 HN MET 58 0.696 -14.760 -14.760 414 HA MET 58 HA MET 58 3.389 -15.779 -15.779 415 1HB MET 58 HB2 MET 58 1.406 -15.867 -15.867 416 2HB MET 58 HB1 MET 58 2.609 -17.076 -17.076 417 1HG MET 58 HG2 MET 58 1.282 -17.107 -17.107 418 2HG MET 58 HG1 MET 58 -0.023 -16.458 -16.458 419 1HE MET 58 HE3 MET 58 0.241 -17.227 -17.227 420 2HE MET 58 HE2 MET 58 1.485 -18.433 -18.433 421 3HE MET 58 HE1 MET 58 -0.216 -18.889 -18.889 422 H LYS 59 HN LYS 59 1.823 -13.113 -13.113 423 HA LYS 59 HA LYS 59 3.717 -12.766 -12.766 424 1HB LYS 59 HB2 LYS 59 1.385 -11.749 -11.749 425 2HB LYS 59 HB1 LYS 59 2.166 -10.614 -10.614 426 1HG LYS 59 HG2 LYS 59 2.900 -9.374 -9.374 427 2HG LYS 59 HG1 LYS 59 3.674 -10.784 -10.784 428 1HD LYS 59 HD2 LYS 59 1.674 -11.401 -11.401 429 2HD LYS 59 HD1 LYS 59 0.702 -10.260 -10.260 430 1HE LYS 59 HE2 LYS 59 1.046 -9.110 -9.110 431 2HE LYS 59 HE1 LYS 59 2.341 -8.463 -8.463 432 1HZ LYS 59 HZ2 LYS 59 3.732 -10.362 -10.362 433 2HZ LYS 59 HZ1 LYS 59 2.520 -10.682 -10.682 434 3HZ LYS 59 HZ3 LYS 59 3.353 -9.205 -9.205 435 H LYS 60 HN LYS 60 3.534 -11.515 -11.515 436 HA LYS 60 HA LYS 60 5.899 -9.862 -9.862 437 1HB LYS 60 HB2 LYS 60 3.906 -9.867 -9.867 438 2HB LYS 60 HB1 LYS 60 4.767 -11.169 -11.169 439 1HG LYS 60 HG2 LYS 60 5.362 -9.022 -9.022 440 2HG LYS 60 HG1 LYS 60 6.765 -9.691 -9.691 441 1HD LYS 60 HD2 LYS 60 6.715 -8.089 -8.089 442 2HD LYS 60 HD1 LYS 60 4.961 -7.918 -7.918 443 1HE LYS 60 HE2 LYS 60 5.471 -6.927 -6.927 444 2HE LYS 60 HE1 LYS 60 7.065 -6.609 -6.609 445 1HZ LYS 60 HZ3 LYS 60 4.584 -5.983 -5.983 446 2HZ LYS 60 HZ2 LYS 60 5.209 -4.879 -4.879 447 3HZ LYS 60 HZ1 LYS 60 6.139 -5.338 -5.338 448 H LEU 61 HN LEU 61 5.302 -13.264 -13.264 449 HA LEU 61 HA LEU 61 7.962 -13.744 -13.744 450 1HB LEU 61 HB2 LEU 61 5.758 -15.542 -15.542 451 2HB LEU 61 HB1 LEU 61 7.179 -16.119 -16.119 452 HG LEU 61 HG LEU 61 4.961 -14.337 -14.337 453 1HD1 LEU 61 HD12 LEU 61 5.572 -17.111 -17.111 454 2HD1 LEU 61 HD11 LEU 61 5.836 -16.418 -16.418 455 3HD1 LEU 61 HD13 LEU 61 4.269 -16.239 -16.239 456 1HD2 LEU 61 HD21 LEU 61 7.803 -14.567 -14.567 457 2HD2 LEU 61 HD23 LEU 61 6.691 -13.205 -13.205 458 3HD2 LEU 61 HD22 LEU 61 6.579 -14.557 -14.557 459 H LYS 62 HN LYS 62 7.119 -12.976 -12.976 460 HA LYS 62 HA LYS 62 8.525 -15.008 -15.008 461 1HB LYS 62 HB2 LYS 62 6.953 -12.661 -12.661 462 2HB LYS 62 HB1 LYS 62 8.452 -12.465 -12.465 463 1HG LYS 62 HG2 LYS 62 7.861 -14.047 -14.047 464 2HG LYS 62 HG1 LYS 62 7.357 -15.166 -15.166 465 1HD LYS 62 HD2 LYS 62 5.195 -14.118 -14.118 466 2HD LYS 62 HD1 LYS 62 5.698 -12.785 -12.785 467 1HE LYS 62 HE2 LYS 62 4.664 -14.052 -14.052 468 2HE LYS 62 HE1 LYS 62 6.214 -14.913 -14.913 469 1HZ LYS 62 HZ3 LYS 62 3.916 -15.559 -15.559 470 2HZ LYS 62 HZ2 LYS 62 4.302 -16.411 -16.411 471 3HZ LYS 62 HZ1 LYS 62 5.378 -16.414 -16.414 472 HA PRO 63 HA PRO 63 12.564 -13.475 -13.475 473 1HB PRO 63 HB2 PRO 63 13.983 -15.265 -15.265 474 2HB PRO 63 HB1 PRO 63 13.254 -15.679 -15.679 475 1HG PRO 63 HG2 PRO 63 12.276 -16.236 -16.236 476 2HG PRO 63 HG1 PRO 63 12.231 -17.265 -17.265 477 1HD PRO 63 HD2 PRO 63 10.074 -15.873 -15.873 478 2HD PRO 63 HD1 PRO 63 10.308 -16.293 -16.293 479 H TYR 64 HN TYR 64 14.685 -13.230 -13.230 480 HA TYR 64 HA TYR 64 15.547 -11.781 -11.781 481 1HB TYR 64 HB2 TYR 64 13.356 -13.361 -13.361 482 2HB TYR 64 HB1 TYR 64 14.507 -12.357 -12.357 483 HD1 TYR 64 HD1 TYR 64 16.910 -12.920 -12.920 484 HD2 TYR 64 HD2 TYR 64 14.040 -15.431 -15.431 485 HE1 TYR 64 HE1 TYR 64 18.579 -14.753 -14.753 486 HE2 TYR 64 HE2 TYR 64 15.708 -17.263 -17.263 487 HH TYR 64 HH TYR 64 18.943 -16.879 -16.879 488 H SER 65 HN SER 65 13.633 -10.506 -10.506 489 HA SER 65 HA SER 65 11.764 -9.004 -9.004 490 1HB SER 65 HB2 SER 65 11.770 -9.858 -9.858 491 2HB SER 65 HB1 SER 65 12.295 -8.187 -8.187 492 HG SER 65 HG SER 65 9.870 -8.966 -8.966 493 H ILE 66 HN ILE 66 13.318 -7.861 -7.861 494 HA ILE 66 HA ILE 66 14.932 -5.783 -5.783 495 HB ILE 66 HB ILE 66 16.279 -5.808 -5.808 496 1HG1 ILE 66 HG12 ILE 66 14.618 -8.224 -8.224 497 2HG1 ILE 66 HG11 ILE 66 14.285 -6.613 -6.613 498 1HG2 ILE 66 HG23 ILE 66 15.827 -8.368 -8.368 499 2HG2 ILE 66 HG22 ILE 66 17.082 -8.240 -8.240 500 3HG2 ILE 66 HG21 ILE 66 17.130 -7.195 -7.195 501 1HD1 ILE 66 HD12 ILE 66 16.797 -6.585 -6.585 502 2HD1 ILE 66 HD11 ILE 66 16.730 -8.332 -8.332 503 3HD1 ILE 66 HD13 ILE 66 15.704 -7.568 -7.568 Start of MODEL 7 1 1H HIS 1 HT2 HIS 1 5.142 -40.563 -40.563 2 2H HIS 1 HT1 HIS 1 4.445 -40.257 -40.257 3 3H HIS 1 HT3 HIS 1 6.115 -40.518 -40.518 4 HA HIS 1 HA HIS 1 6.146 -38.249 -38.249 5 1HB HIS 1 HB2 HIS 1 3.451 -38.690 -38.690 6 2HB HIS 1 HB1 HIS 1 3.714 -37.828 -37.828 7 HD1 HIS 1 HD1 HIS 1 4.155 -35.337 -35.337 8 HD2 HIS 1 HD2 HIS 1 4.326 -37.183 -37.183 9 HE1 HIS 1 HE1 HIS 1 4.339 -33.477 -33.477 10 H PHE 2 HN PHE 2 6.290 -36.437 -36.437 11 HA PHE 2 HA PHE 2 6.738 -37.583 -37.583 12 1HB PHE 2 HB2 PHE 2 9.019 -36.729 -36.729 13 2HB PHE 2 HB1 PHE 2 8.820 -37.745 -37.745 14 HD1 PHE 2 HD1 PHE 2 7.949 -36.467 -36.467 15 HD2 PHE 2 HD2 PHE 2 9.935 -34.600 -34.600 16 HE1 PHE 2 HE1 PHE 2 8.568 -34.553 -34.553 17 HE2 PHE 2 HE2 PHE 2 10.556 -32.685 -32.685 18 HZ PHE 2 HZ PHE 2 9.873 -32.661 -32.661 19 H ALA 3 HN ALA 3 7.128 -35.777 -35.777 20 HA ALA 3 HA ALA 3 6.381 -33.752 -33.752 21 1HB ALA 3 HB2 ALA 3 8.181 -33.083 -33.083 22 2HB ALA 3 HB1 ALA 3 6.902 -32.756 -32.756 23 3HB ALA 3 HB3 ALA 3 6.995 -31.817 -31.817 24 H ALA 4 HN ALA 4 5.104 -31.664 -31.664 25 HA ALA 4 HA ALA 4 2.938 -31.115 -31.115 26 1HB ALA 4 HB2 ALA 4 3.546 -33.620 -33.620 27 2HB ALA 4 HB1 ALA 4 2.045 -33.927 -33.927 28 3HB ALA 4 HB3 ALA 4 2.086 -32.724 -32.724 29 H ASP 5 HN ASP 5 0.793 -30.929 -30.929 30 HA ASP 5 HA ASP 5 -0.163 -32.548 -32.548 31 1HB ASP 5 HB2 ASP 5 1.739 -30.382 -30.382 32 2HB ASP 5 HB1 ASP 5 0.241 -30.175 -30.175 33 H CYS 6 HN CYS 6 -2.307 -32.352 -32.352 34 HA CYS 6 HA CYS 6 -3.349 -29.765 -29.765 35 1HB CYS 6 HB2 CYS 6 -4.710 -32.445 -32.445 36 2HB CYS 6 HB1 CYS 6 -5.260 -31.118 -31.118 37 H CYS 7 HN CYS 7 -4.632 -28.423 -28.423 38 HA CYS 7 HA CYS 7 -5.156 -29.193 -29.193 39 1HB CYS 7 HB2 CYS 7 -4.445 -26.841 -26.841 40 2HB CYS 7 HB1 CYS 7 -6.009 -26.544 -26.544 41 H THR 8 HN THR 8 -7.303 -28.965 -28.965 42 HA THR 8 HA THR 8 -9.468 -29.411 -29.411 43 HB THR 8 HB THR 8 -10.618 -30.434 -30.434 44 HG1 THR 8 HG1 THR 8 -10.033 -30.075 -30.075 45 1HG2 THR 8 HG22 THR 8 -8.186 -31.313 -31.313 46 2HG2 THR 8 HG21 THR 8 -7.981 -31.454 -31.454 47 3HG2 THR 8 HG23 THR 8 -9.319 -32.278 -32.278 48 H SER 9 HN SER 9 -8.256 -27.064 -27.064 49 HA SER 9 HA SER 9 -10.617 -25.324 -25.324 50 1HB SER 9 HB2 SER 9 -9.535 -26.277 -26.277 51 2HB SER 9 HB1 SER 9 -10.359 -24.722 -24.722 52 HG SER 9 HG SER 9 -11.346 -27.305 -27.305 53 H TYR 10 HN TYR 10 -9.952 -23.212 -23.212 54 HA TYR 10 HA TYR 10 -7.051 -22.663 -22.663 55 1HB TYR 10 HB2 TYR 10 -9.426 -21.102 -21.102 56 2HB TYR 10 HB1 TYR 10 -7.732 -20.694 -20.694 57 HD1 TYR 10 HD1 TYR 10 -6.657 -23.519 -23.519 58 HD2 TYR 10 HD2 TYR 10 -10.112 -21.608 -21.608 59 HE1 TYR 10 HE1 TYR 10 -6.598 -25.101 -25.101 60 HE2 TYR 10 HE2 TYR 10 -10.054 -23.190 -23.190 61 HH TYR 10 HH TYR 10 -9.196 -25.334 -25.334 62 H ILE 11 HN ILE 11 -6.759 -20.085 -20.085 63 HA ILE 11 HA ILE 11 -7.080 -19.803 -19.803 64 HB ILE 11 HB ILE 11 -5.882 -17.785 -17.785 65 1HG1 ILE 11 HG12 ILE 11 -7.573 -16.807 -16.807 66 2HG1 ILE 11 HG11 ILE 11 -5.902 -16.489 -16.489 67 1HG2 ILE 11 HG22 ILE 11 -4.809 -19.948 -19.948 68 2HG2 ILE 11 HG21 ILE 11 -5.124 -19.247 -19.247 69 3HG2 ILE 11 HG23 ILE 11 -4.083 -18.401 -18.401 70 1HD1 ILE 11 HD11 ILE 11 -6.019 -18.487 -18.487 71 2HD1 ILE 11 HD13 ILE 11 -7.741 -18.594 -18.594 72 3HD1 ILE 11 HD12 ILE 11 -7.101 -17.171 -17.171 73 H SER 12 HN SER 12 -8.128 -17.670 -17.670 74 HA SER 12 HA SER 12 -10.931 -17.624 -17.624 75 1HB SER 12 HB2 SER 12 -11.251 -17.530 -17.530 76 2HB SER 12 HB1 SER 12 -9.506 -17.519 -17.519 77 HG SER 12 HG SER 12 -11.167 -15.265 -15.265 78 H GLN 13 HN GLN 13 -8.126 -15.762 -15.762 79 HA GLN 13 HA GLN 13 -9.754 -13.509 -13.509 80 1HB GLN 13 HB2 GLN 13 -8.294 -11.914 -11.914 81 2HB GLN 13 HB1 GLN 13 -9.227 -12.949 -12.949 82 1HG GLN 13 HG2 GLN 13 -7.329 -14.363 -14.363 83 2HG GLN 13 HG1 GLN 13 -6.399 -13.596 -13.596 84 1HE2 GLN 13 HE21 GLN 13 -7.388 -13.316 -13.316 85 2HE2 GLN 13 HE22 GLN 13 -6.535 -11.888 -11.888 86 H SER 14 HN SER 14 -8.096 -11.887 -11.887 87 HA SER 14 HA SER 14 -6.821 -13.033 -13.033 88 1HB SER 14 HB2 SER 14 -5.213 -10.913 -10.913 89 2HB SER 14 HB1 SER 14 -6.881 -10.731 -10.731 90 HG SER 14 HG SER 14 -6.206 -10.890 -10.890 91 H ILE 15 HN ILE 15 -4.703 -13.849 -13.849 92 HA ILE 15 HA ILE 15 -3.378 -15.212 -15.212 93 HB ILE 15 HB ILE 15 -2.791 -14.694 -14.694 94 1HG1 ILE 15 HG12 ILE 15 -4.649 -16.241 -16.241 95 2HG1 ILE 15 HG11 ILE 15 -3.350 -17.057 -17.057 96 1HG2 ILE 15 HG21 ILE 15 -0.686 -14.968 -14.968 97 2HG2 ILE 15 HG23 ILE 15 -1.243 -16.622 -16.622 98 3HG2 ILE 15 HG22 ILE 15 -0.855 -16.061 -16.061 99 1HD1 ILE 15 HD12 ILE 15 -2.683 -17.079 -17.079 100 2HD1 ILE 15 HD11 ILE 15 -4.351 -17.632 -17.632 101 3HD1 ILE 15 HD13 ILE 15 -3.062 -18.454 -18.454 102 HA PRO 16 HA PRO 16 -0.712 -11.867 -11.867 103 1HB PRO 16 HB2 PRO 16 0.940 -13.296 -13.296 104 2HB PRO 16 HB1 PRO 16 -0.707 -12.835 -12.835 105 1HG PRO 16 HG2 PRO 16 0.341 -15.447 -15.447 106 2HG PRO 16 HG1 PRO 16 -0.919 -15.106 -15.106 107 1HD PRO 16 HD2 PRO 16 -1.374 -15.884 -15.884 108 2HD PRO 16 HD1 PRO 16 -2.550 -15.041 -15.041 109 H CYS 17 HN CYS 17 0.257 -11.671 -11.671 110 HA CYS 17 HA CYS 17 2.324 -13.358 -13.358 111 1HB CYS 17 HB2 CYS 17 2.044 -10.356 -10.356 112 2HB CYS 17 HB1 CYS 17 2.746 -11.485 -11.485 113 H SER 18 HN SER 18 2.327 -10.710 -10.710 114 HA SER 18 HA SER 18 5.182 -10.275 -10.275 115 1HB SER 18 HB2 SER 18 3.145 -8.848 -8.848 116 2HB SER 18 HB1 SER 18 3.237 -9.792 -9.792 117 HG SER 18 HG SER 18 5.595 -8.706 -8.706 118 H LEU 19 HN LEU 19 3.650 -13.072 -13.072 119 HA LEU 19 HA LEU 19 5.636 -13.732 -13.732 120 1HB LEU 19 HB2 LEU 19 2.688 -13.720 -13.720 121 2HB LEU 19 HB1 LEU 19 3.401 -15.226 -15.226 122 HG LEU 19 HG LEU 19 4.634 -12.700 -12.700 123 1HD1 LEU 19 HD13 LEU 19 1.929 -12.729 -12.729 124 2HD1 LEU 19 HD12 LEU 19 2.253 -13.641 -13.641 125 3HD1 LEU 19 HD11 LEU 19 2.895 -12.009 -12.009 126 1HD2 LEU 19 HD23 LEU 19 4.297 -15.525 -15.525 127 2HD2 LEU 19 HD22 LEU 19 5.625 -14.414 -14.414 128 3HD2 LEU 19 HD21 LEU 19 4.172 -14.374 -14.374 129 H MET 20 HN MET 20 5.439 -14.257 -14.257 130 HA MET 20 HA MET 20 5.662 -17.239 -17.239 131 1HB MET 20 HB2 MET 20 4.353 -15.829 -15.829 132 2HB MET 20 HB1 MET 20 4.247 -17.530 -17.530 133 1HG MET 20 HG2 MET 20 3.177 -15.345 -15.345 134 2HG MET 20 HG1 MET 20 2.202 -16.065 -16.065 135 1HE MET 20 HE3 MET 20 0.578 -16.708 -16.708 136 2HE MET 20 HE2 MET 20 0.447 -18.442 -18.442 137 3HE MET 20 HE1 MET 20 0.446 -17.337 -17.337 138 H LYS 21 HN LYS 21 7.433 -18.001 -18.001 139 HA LYS 21 HA LYS 21 9.158 -16.052 -16.052 140 1HB LYS 21 HB2 LYS 21 10.283 -17.357 -17.357 141 2HB LYS 21 HB1 LYS 21 9.426 -18.826 -18.826 142 1HG LYS 21 HG2 LYS 21 10.614 -18.824 -18.824 143 2HG LYS 21 HG1 LYS 21 11.484 -17.370 -17.370 144 1HD LYS 21 HD2 LYS 21 11.950 -18.997 -18.997 145 2HD LYS 21 HD1 LYS 21 11.889 -20.175 -20.175 146 1HE LYS 21 HE2 LYS 21 14.113 -19.577 -19.577 147 2HE LYS 21 HE1 LYS 21 13.423 -18.255 -18.255 148 1HZ LYS 21 HZ3 LYS 21 13.880 -18.189 -18.189 149 2HZ LYS 21 HZ2 LYS 21 14.870 -17.428 -17.428 150 3HZ LYS 21 HZ1 LYS 21 13.263 -16.919 -16.919 151 H SER 22 HN SER 22 7.324 -19.036 -19.036 152 HA SER 22 HA SER 22 7.551 -18.515 -18.515 153 1HB SER 22 HB2 SER 22 9.162 -20.340 -20.340 154 2HB SER 22 HB1 SER 22 7.909 -21.334 -21.334 155 HG SER 22 HG SER 22 9.845 -20.818 -20.818 156 H TYR 23 HN TYR 23 6.132 -20.345 -20.345 157 HA TYR 23 HA TYR 23 3.844 -21.204 -21.204 158 1HB TYR 23 HB2 TYR 23 2.264 -19.963 -19.963 159 2HB TYR 23 HB1 TYR 23 3.472 -18.847 -18.847 160 HD1 TYR 23 HD1 TYR 23 2.711 -20.979 -20.979 161 HD2 TYR 23 HD2 TYR 23 4.758 -17.524 -17.524 162 HE1 TYR 23 HE1 TYR 23 3.337 -20.328 -20.328 163 HE2 TYR 23 HE2 TYR 23 5.383 -16.873 -16.873 164 HH TYR 23 HH TYR 23 4.298 -17.375 -17.375 165 H PHE 24 HN PHE 24 2.524 -22.857 -22.857 166 HA PHE 24 HA PHE 24 3.515 -23.716 -23.716 167 1HB PHE 24 HB2 PHE 24 4.368 -25.762 -25.762 168 2HB PHE 24 HB1 PHE 24 4.816 -24.702 -24.702 169 HD1 PHE 24 HD1 PHE 24 2.096 -27.032 -27.032 170 HD2 PHE 24 HD2 PHE 24 4.117 -25.188 -25.188 171 HE1 PHE 24 HE1 PHE 24 0.817 -28.456 -28.456 172 HE2 PHE 24 HE2 PHE 24 2.832 -26.614 -26.614 173 HZ PHE 24 HZ PHE 24 1.183 -28.246 -28.246 174 H GLU 25 HN GLU 25 1.926 -24.750 -24.750 175 HA GLU 25 HA GLU 25 -0.787 -24.861 -24.861 176 1HB GLU 25 HB2 GLU 25 -1.448 -25.092 -25.092 177 2HB GLU 25 HB1 GLU 25 -0.289 -23.772 -23.772 178 1HG GLU 25 HG2 GLU 25 1.383 -25.903 -25.903 179 2HG GLU 25 HG1 GLU 25 -0.006 -26.376 -26.376 180 H THR 26 HN THR 26 -1.981 -26.833 -26.833 181 HA THR 26 HA THR 26 -0.406 -29.245 -29.245 182 HB THR 26 HB THR 26 -2.604 -30.209 -30.209 183 HG1 THR 26 HG1 THR 26 -3.454 -28.557 -28.557 184 1HG2 THR 26 HG23 THR 26 -1.743 -27.573 -27.573 185 2HG2 THR 26 HG22 THR 26 -3.404 -28.025 -28.025 186 3HG2 THR 26 HG21 THR 26 -2.070 -29.069 -29.069 187 H SER 27 HN SER 27 -1.483 -31.338 -31.338 188 HA SER 27 HA SER 27 -1.139 -30.880 -30.880 189 1HB SER 27 HB2 SER 27 -1.451 -33.421 -33.421 190 2HB SER 27 HB1 SER 27 -0.883 -33.315 -33.315 191 HG SER 27 HG SER 27 0.846 -32.002 -32.002 192 H SER 28 HN SER 28 -2.720 -31.623 -31.623 193 HA SER 28 HA SER 28 -5.470 -31.201 -31.201 194 1HB SER 28 HB2 SER 28 -4.147 -30.976 -30.976 195 2HB SER 28 HB1 SER 28 -4.545 -32.683 -32.683 196 HG SER 28 HG SER 28 -6.778 -31.855 -31.855 197 H GLU 29 HN GLU 29 -3.448 -33.872 -33.872 198 HA GLU 29 HA GLU 29 -5.368 -36.012 -36.012 199 1HB GLU 29 HB2 GLU 29 -2.887 -36.222 -36.222 200 2HB GLU 29 HB1 GLU 29 -2.814 -35.875 -35.875 201 1HG GLU 29 HG2 GLU 29 -3.328 -38.008 -38.008 202 2HG GLU 29 HG1 GLU 29 -4.733 -37.983 -37.983 203 H CYS 30 HN CYS 30 -4.733 -33.779 -33.779 204 HA CYS 30 HA CYS 30 -5.771 -35.381 -35.381 205 1HB CYS 30 HB2 CYS 30 -4.620 -32.799 -32.799 206 2HB CYS 30 HB1 CYS 30 -6.078 -32.589 -32.589 207 H SER 31 HN SER 31 -7.867 -35.283 -35.283 208 HA SER 31 HA SER 31 -10.098 -35.015 -35.015 209 1HB SER 31 HB2 SER 31 -9.702 -35.145 -35.145 210 2HB SER 31 HB1 SER 31 -11.317 -35.028 -35.028 211 HG SER 31 HG SER 31 -10.992 -37.151 -37.151 212 H LYS 32 HN LYS 32 -8.278 -32.651 -32.651 213 HA LYS 32 HA LYS 32 -10.162 -30.537 -30.537 214 1HB LYS 32 HB2 LYS 32 -10.535 -31.521 -31.521 215 2HB LYS 32 HB1 LYS 32 -9.188 -30.450 -30.450 216 1HG LYS 32 HG2 LYS 32 -10.530 -28.643 -28.643 217 2HG LYS 32 HG1 LYS 32 -11.902 -29.734 -29.734 218 1HD LYS 32 HD2 LYS 32 -11.442 -29.764 -29.764 219 2HD LYS 32 HD1 LYS 32 -10.229 -28.511 -28.511 220 1HE LYS 32 HE2 LYS 32 -12.369 -27.470 -27.470 221 2HE LYS 32 HE1 LYS 32 -12.015 -27.081 -27.081 222 1HZ LYS 32 HZ1 LYS 32 -13.513 -29.526 -29.526 223 2HZ LYS 32 HZ3 LYS 32 -14.320 -28.043 -28.043 224 3HZ LYS 32 HZ2 LYS 32 -13.486 -28.699 -28.699 225 HA PRO 33 HA PRO 33 -6.125 -28.846 -28.846 226 1HB PRO 33 HB2 PRO 33 -6.978 -26.443 -26.443 227 2HB PRO 33 HB1 PRO 33 -7.006 -27.947 -27.947 228 1HG PRO 33 HG2 PRO 33 -9.219 -26.552 -26.552 229 2HG PRO 33 HG1 PRO 33 -9.239 -27.396 -27.396 230 1HD PRO 33 HD2 PRO 33 -10.189 -28.473 -28.473 231 2HD PRO 33 HD1 PRO 33 -9.563 -29.444 -29.444 232 H GLY 34 HN GLY 34 -5.255 -26.380 -26.380 233 1HA GLY 34 HA2 GLY 34 -6.033 -24.561 -24.561 234 2HA GLY 34 HA1 GLY 34 -5.726 -25.925 -25.925 235 H VAL 35 HN VAL 35 -4.301 -23.254 -23.254 236 HA VAL 35 HA VAL 35 -1.579 -24.327 -24.327 237 HB VAL 35 HB VAL 35 -2.014 -22.516 -22.516 238 1HG1 VAL 35 HG13 VAL 35 -3.565 -21.422 -21.422 239 2HG1 VAL 35 HG12 VAL 35 -3.032 -20.343 -20.343 240 3HG1 VAL 35 HG11 VAL 35 -4.099 -21.699 -21.699 241 1HG2 VAL 35 HG22 VAL 35 -0.013 -22.192 -22.192 242 2HG2 VAL 35 HG21 VAL 35 -0.477 -20.875 -20.875 243 3HG2 VAL 35 HG23 VAL 35 -1.006 -20.863 -20.863 244 H ILE 36 HN ILE 36 -0.246 -24.644 -24.644 245 HA ILE 36 HA ILE 36 -0.996 -23.374 -23.374 246 HB ILE 36 HB ILE 36 0.559 -25.789 -25.789 247 1HG1 ILE 36 HG12 ILE 36 -1.683 -25.255 -25.255 248 2HG1 ILE 36 HG11 ILE 36 -1.788 -26.121 -26.121 249 1HG2 ILE 36 HG22 ILE 36 0.749 -24.435 -24.435 250 2HG2 ILE 36 HG21 ILE 36 1.225 -26.109 -26.109 251 3HG2 ILE 36 HG23 ILE 36 2.075 -24.798 -24.798 252 1HD1 ILE 36 HD13 ILE 36 -0.028 -27.021 -27.021 253 2HD1 ILE 36 HD12 ILE 36 -1.674 -27.607 -27.607 254 3HD1 ILE 36 HD11 ILE 36 -0.434 -27.927 -27.927 255 H PHE 37 HN PHE 37 0.321 -21.821 -21.821 256 HA PHE 37 HA PHE 37 2.726 -20.987 -20.987 257 1HB PHE 37 HB2 PHE 37 1.068 -19.799 -19.799 258 2HB PHE 37 HB1 PHE 37 2.531 -19.032 -19.032 259 HD1 PHE 37 HD1 PHE 37 -0.857 -20.226 -20.226 260 HD2 PHE 37 HD2 PHE 37 2.513 -17.769 -17.769 261 HE1 PHE 37 HE1 PHE 37 -2.165 -19.190 -19.190 262 HE2 PHE 37 HE2 PHE 37 1.202 -16.736 -16.736 263 HZ PHE 37 HZ PHE 37 -1.136 -17.445 -17.445 264 H LEU 38 HN LEU 38 4.804 -21.245 -21.245 265 HA LEU 38 HA LEU 38 5.072 -22.688 -22.688 266 1HB LEU 38 HB2 LEU 38 6.410 -22.586 -22.586 267 2HB LEU 38 HB1 LEU 38 7.562 -22.400 -22.400 268 HG LEU 38 HG LEU 38 7.234 -24.784 -24.784 269 1HD1 LEU 38 HD11 LEU 38 7.399 -23.738 -23.738 270 2HD1 LEU 38 HD13 LEU 38 5.810 -24.487 -24.487 271 3HD1 LEU 38 HD12 LEU 38 7.215 -25.472 -25.472 272 1HD2 LEU 38 HD22 LEU 38 4.355 -24.237 -24.237 273 2HD2 LEU 38 HD21 LEU 38 4.921 -24.605 -24.605 274 3HD2 LEU 38 HD23 LEU 38 5.030 -25.826 -25.826 275 H THR 39 HN THR 39 5.552 -21.436 -21.436 276 HA THR 39 HA THR 39 6.483 -18.661 -18.661 277 HB THR 39 HB THR 39 5.796 -18.395 -18.395 278 HG1 THR 39 HG1 THR 39 6.433 -19.892 -19.892 279 1HG2 THR 39 HG21 THR 39 4.128 -19.692 -19.692 280 2HG2 THR 39 HG23 THR 39 3.819 -20.472 -20.472 281 3HG2 THR 39 HG22 THR 39 3.626 -18.726 -18.726 282 H LYS 40 HN LYS 40 8.424 -17.846 -17.846 283 HA LYS 40 HA LYS 40 10.716 -19.575 -19.575 284 1HB LYS 40 HB2 LYS 40 10.716 -17.157 -17.157 285 2HB LYS 40 HB1 LYS 40 10.290 -16.804 -16.804 286 1HG LYS 40 HG2 LYS 40 12.700 -18.502 -18.502 287 2HG LYS 40 HG1 LYS 40 12.830 -16.773 -16.773 288 1HD LYS 40 HD2 LYS 40 11.751 -16.479 -16.479 289 2HD LYS 40 HD1 LYS 40 12.221 -18.159 -18.159 290 1HE LYS 40 HE2 LYS 40 14.209 -17.231 -17.231 291 2HE LYS 40 HE1 LYS 40 14.535 -17.097 -17.097 292 1HZ LYS 40 HZ2 LYS 40 12.993 -14.979 -14.979 293 2HZ LYS 40 HZ1 LYS 40 13.657 -15.049 -15.049 294 3HZ LYS 40 HZ3 LYS 40 14.678 -14.904 -14.904 295 H LYS 41 HN LYS 41 8.573 -18.512 -18.512 296 HA LYS 41 HA LYS 41 10.290 -19.201 -19.201 297 1HB LYS 41 HB2 LYS 41 7.626 -18.216 -18.216 298 2HB LYS 41 HB1 LYS 41 7.567 -19.444 -19.444 299 1HG LYS 41 HG2 LYS 41 9.579 -17.188 -17.188 300 2HG LYS 41 HG1 LYS 41 7.981 -17.032 -17.032 301 1HD LYS 41 HD2 LYS 41 8.441 -19.035 -19.035 302 2HD LYS 41 HD1 LYS 41 10.055 -19.138 -19.138 303 1HE LYS 41 HE2 LYS 41 10.179 -16.591 -16.591 304 2HE LYS 41 HE1 LYS 41 8.968 -17.157 -17.157 305 1HZ LYS 41 HZ2 LYS 41 10.503 -19.138 -19.138 306 2HZ LYS 41 HZ1 LYS 41 11.691 -18.225 -18.225 307 3HZ LYS 41 HZ3 LYS 41 11.035 -17.667 -17.667 308 H GLY 42 HN GLY 42 8.718 -21.127 -21.127 309 1HA GLY 42 HA2 GLY 42 8.936 -23.525 -23.525 310 2HA GLY 42 HA1 GLY 42 9.175 -23.530 -23.530 311 H ARG 43 HN ARG 43 6.612 -22.464 -22.464 312 HA ARG 43 HA ARG 43 4.665 -24.151 -24.151 313 1HB ARG 43 HB2 ARG 43 5.080 -21.405 -21.405 314 2HB ARG 43 HB1 ARG 43 3.598 -21.492 -21.492 315 1HG ARG 43 HG2 ARG 43 3.900 -23.493 -23.493 316 2HG ARG 43 HG1 ARG 43 3.626 -21.823 -21.823 317 1HD ARG 43 HD2 ARG 43 1.728 -21.948 -21.948 318 2HD ARG 43 HD1 ARG 43 1.810 -23.678 -23.678 319 HE ARG 43 HE ARG 43 1.805 -22.063 -22.063 320 1HH1 ARG 43 HH11 ARG 43 -0.532 -21.104 -21.104 321 2HH1 ARG 43 HH12 ARG 43 -1.814 -22.105 -22.105 322 1HH2 ARG 43 HH21 ARG 43 0.312 -24.332 -24.332 323 2HH2 ARG 43 HH22 ARG 43 -1.336 -23.931 -23.931 324 H GLN 44 HN GLN 44 2.396 -23.779 -23.779 325 HA GLN 44 HA GLN 44 2.812 -23.230 -23.230 326 1HB GLN 44 HB2 GLN 44 1.710 -25.455 -25.455 327 2HB GLN 44 HB1 GLN 44 3.304 -25.581 -25.581 328 1HG GLN 44 HG2 GLN 44 2.339 -25.980 -25.980 329 2HG GLN 44 HG1 GLN 44 0.719 -25.625 -25.625 330 1HE2 GLN 44 HE21 GLN 44 -0.170 -27.188 -27.188 331 2HE2 GLN 44 HE22 GLN 44 0.363 -28.799 -28.799 332 H VAL 45 HN VAL 45 1.045 -22.235 -22.235 333 HA VAL 45 HA VAL 45 -1.483 -22.182 -22.182 334 HB VAL 45 HB VAL 45 -0.347 -20.216 -20.216 335 1HG1 VAL 45 HG13 VAL 45 -2.815 -20.260 -20.260 336 2HG1 VAL 45 HG12 VAL 45 -2.115 -18.735 -18.735 337 3HG1 VAL 45 HG11 VAL 45 -2.691 -19.912 -19.912 338 1HG2 VAL 45 HG22 VAL 45 0.185 -20.660 -20.660 339 2HG2 VAL 45 HG21 VAL 45 0.969 -19.543 -19.543 340 3HG2 VAL 45 HG23 VAL 45 -0.498 -19.056 -19.056 341 H CYS 46 HN CYS 46 -3.443 -21.725 -21.725 342 HA CYS 46 HA CYS 46 -3.075 -23.164 -23.164 343 1HB CYS 46 HB2 CYS 46 -5.199 -23.726 -23.726 344 2HB CYS 46 HB1 CYS 46 -5.015 -24.568 -24.568 345 H ALA 47 HN ALA 47 -3.930 -21.875 -21.875 346 HA ALA 47 HA ALA 47 -6.304 -20.174 -20.174 347 1HB ALA 47 HB3 ALA 47 -4.121 -18.961 -18.961 348 2HB ALA 47 HB2 ALA 47 -3.979 -19.543 -19.543 349 3HB ALA 47 HB1 ALA 47 -5.288 -18.446 -18.446 350 H LYS 48 HN LYS 48 -7.642 -19.622 -19.622 351 HA LYS 48 HA LYS 48 -8.305 -21.898 -21.898 352 1HB LYS 48 HB2 LYS 48 -9.173 -19.195 -19.195 353 2HB LYS 48 HB1 LYS 48 -9.191 -19.496 -19.496 354 1HG LYS 48 HG2 LYS 48 -10.297 -21.802 -21.802 355 2HG LYS 48 HG1 LYS 48 -10.796 -20.771 -20.771 356 1HD LYS 48 HD2 LYS 48 -11.266 -19.228 -19.228 357 2HD LYS 48 HD1 LYS 48 -11.800 -20.851 -20.851 358 1HE LYS 48 HE2 LYS 48 -12.600 -19.664 -19.664 359 2HE LYS 48 HE1 LYS 48 -13.516 -19.281 -19.281 360 1HZ LYS 48 HZ1 LYS 48 -12.798 -22.068 -22.068 361 2HZ LYS 48 HZ3 LYS 48 -13.849 -21.522 -21.522 362 3HZ LYS 48 HZ2 LYS 48 -14.289 -21.371 -21.371 363 HA PRO 49 HA PRO 49 -5.812 -21.508 -21.508 364 1HB PRO 49 HB2 PRO 49 -7.568 -21.404 -21.404 365 2HB PRO 49 HB1 PRO 49 -7.267 -22.880 -22.880 366 1HG PRO 49 HG2 PRO 49 -9.523 -20.939 -20.939 367 2HG PRO 49 HG1 PRO 49 -9.545 -22.704 -22.704 368 1HD PRO 49 HD2 PRO 49 -9.664 -21.039 -21.039 369 2HD PRO 49 HD1 PRO 49 -8.984 -22.678 -22.678 370 H SER 50 HN SER 50 -8.452 -19.146 -19.146 371 HA SER 50 HA SER 50 -6.584 -17.090 -17.090 372 1HB SER 50 HB2 SER 50 -9.476 -16.993 -16.993 373 2HB SER 50 HB1 SER 50 -8.067 -16.547 -16.547 374 HG SER 50 HG SER 50 -9.420 -18.866 -18.866 375 H GLY 51 HN GLY 51 -7.295 -17.569 -17.569 376 1HA GLY 51 HA2 GLY 51 -9.449 -15.965 -15.965 377 2HA GLY 51 HA1 GLY 51 -8.008 -16.349 -16.349 378 HA PRO 52 HA PRO 52 -8.070 -11.887 -11.887 379 1HB PRO 52 HB2 PRO 52 -9.313 -10.564 -10.564 380 2HB PRO 52 HB1 PRO 52 -10.176 -11.171 -11.171 381 1HG PRO 52 HG2 PRO 52 -9.945 -12.354 -12.354 382 2HG PRO 52 HG1 PRO 52 -11.348 -12.271 -12.271 383 1HD PRO 52 HD2 PRO 52 -9.838 -14.515 -14.515 384 2HD PRO 52 HD1 PRO 52 -10.699 -14.126 -14.126 385 H GLY 53 HN GLY 53 -5.810 -12.167 -12.167 386 1HA GLY 53 HA2 GLY 53 -4.292 -10.696 -10.696 387 2HA GLY 53 HA1 GLY 53 -5.032 -11.573 -11.573 388 H VAL 54 HN VAL 54 -5.132 -14.069 -14.069 389 HA VAL 54 HA VAL 54 -2.691 -15.278 -15.278 390 HB VAL 54 HB VAL 54 -4.701 -16.008 -16.008 391 1HG1 VAL 54 HG12 VAL 54 -2.364 -17.155 -17.155 392 2HG1 VAL 54 HG11 VAL 54 -2.932 -17.942 -17.942 393 3HG1 VAL 54 HG13 VAL 54 -3.799 -18.180 -18.180 394 1HG2 VAL 54 HG22 VAL 54 -5.644 -15.717 -15.717 395 2HG2 VAL 54 HG21 VAL 54 -5.698 -17.404 -17.404 396 3HG2 VAL 54 HG23 VAL 54 -4.462 -16.867 -16.867 397 H GLN 55 HN GLN 55 -3.694 -14.018 -14.018 398 HA GLN 55 HA GLN 55 -1.274 -14.754 -14.754 399 1HB GLN 55 HB2 GLN 55 -3.758 -13.379 -13.379 400 2HB GLN 55 HB1 GLN 55 -2.439 -12.402 -12.402 401 1HG GLN 55 HG2 GLN 55 -2.810 -13.805 -13.805 402 2HG GLN 55 HG1 GLN 55 -1.617 -14.759 -14.759 403 1HE2 GLN 55 HE21 GLN 55 -2.256 -16.842 -16.842 404 2HE2 GLN 55 HE22 GLN 55 -3.856 -17.410 -17.410 405 H ASP 56 HN ASP 56 -2.153 -12.108 -12.108 406 HA ASP 56 HA ASP 56 -0.016 -10.305 -10.305 407 1HB ASP 56 HB2 ASP 56 -2.106 -9.726 -9.726 408 2HB ASP 56 HB1 ASP 56 -1.520 -10.676 -10.676 409 H CYS 57 HN CYS 57 -0.380 -12.900 -12.900 410 HA CYS 57 HA CYS 57 2.179 -12.550 -12.550 411 1HB CYS 57 HB2 CYS 57 0.322 -14.915 -14.915 412 2HB CYS 57 HB1 CYS 57 1.737 -14.967 -14.967 413 H MET 58 HN MET 58 1.074 -14.668 -14.668 414 HA MET 58 HA MET 58 3.676 -15.827 -15.827 415 1HB MET 58 HB2 MET 58 1.492 -15.538 -15.538 416 2HB MET 58 HB1 MET 58 2.582 -16.894 -16.894 417 1HG MET 58 HG2 MET 58 1.248 -16.700 -16.700 418 2HG MET 58 HG1 MET 58 -0.009 -16.294 -16.294 419 1HE MET 58 HE3 MET 58 -0.255 -17.286 -17.286 420 2HE MET 58 HE2 MET 58 0.100 -18.940 -18.940 421 3HE MET 58 HE1 MET 58 -1.288 -18.618 -18.618 422 H LYS 59 HN LYS 59 2.165 -12.819 -12.819 423 HA LYS 59 HA LYS 59 3.658 -12.285 -12.285 424 1HB LYS 59 HB2 LYS 59 1.644 -11.111 -11.111 425 2HB LYS 59 HB1 LYS 59 2.994 -9.999 -9.999 426 1HG LYS 59 HG2 LYS 59 2.757 -9.207 -9.207 427 2HG LYS 59 HG1 LYS 59 2.839 -10.836 -10.836 428 1HD LYS 59 HD2 LYS 59 0.539 -11.097 -11.097 429 2HD LYS 59 HD1 LYS 59 0.307 -10.003 -10.003 430 1HE LYS 59 HE2 LYS 59 -0.490 -8.732 -8.732 431 2HE LYS 59 HE1 LYS 59 1.185 -8.169 -8.169 432 1HZ LYS 59 HZ1 LYS 59 0.316 -10.443 -10.443 433 2HZ LYS 59 HZ3 LYS 59 0.596 -8.875 -8.875 434 3HZ LYS 59 HZ2 LYS 59 1.876 -9.775 -9.775 435 H LYS 60 HN LYS 60 4.115 -11.137 -11.137 436 HA LYS 60 HA LYS 60 6.756 -10.059 -10.059 437 1HB LYS 60 HB2 LYS 60 5.351 -10.917 -10.917 438 2HB LYS 60 HB1 LYS 60 6.758 -9.857 -9.857 439 1HG LYS 60 HG2 LYS 60 4.060 -9.294 -9.294 440 2HG LYS 60 HG1 LYS 60 4.657 -8.558 -8.558 441 1HD LYS 60 HD2 LYS 60 6.740 -8.135 -8.135 442 2HD LYS 60 HD1 LYS 60 5.311 -7.926 -7.926 443 1HE LYS 60 HE2 LYS 60 5.139 -5.833 -5.833 444 2HE LYS 60 HE1 LYS 60 4.702 -6.596 -6.596 445 1HZ LYS 60 HZ2 LYS 60 7.527 -6.529 -6.529 446 2HZ LYS 60 HZ1 LYS 60 6.836 -5.106 -5.106 447 3HZ LYS 60 HZ3 LYS 60 6.852 -6.518 -6.518 448 H LEU 61 HN LEU 61 5.503 -13.231 -13.231 449 HA LEU 61 HA LEU 61 8.008 -14.332 -14.332 450 1HB LEU 61 HB2 LEU 61 5.229 -15.120 -15.120 451 2HB LEU 61 HB1 LEU 61 6.384 -16.413 -16.413 452 HG LEU 61 HG LEU 61 7.276 -16.270 -16.270 453 1HD1 LEU 61 HD12 LEU 61 7.024 -13.704 -13.704 454 2HD1 LEU 61 HD11 LEU 61 5.376 -13.997 -13.997 455 3HD1 LEU 61 HD13 LEU 61 6.742 -14.556 -14.556 456 1HD2 LEU 61 HD23 LEU 61 4.262 -16.196 -16.196 457 2HD2 LEU 61 HD22 LEU 61 5.316 -17.602 -17.602 458 3HD2 LEU 61 HD21 LEU 61 5.108 -16.505 -16.505 459 H LYS 62 HN LYS 62 7.337 -13.183 -13.183 460 HA LYS 62 HA LYS 62 8.014 -15.309 -15.309 461 1HB LYS 62 HB2 LYS 62 7.039 -12.881 -12.881 462 2HB LYS 62 HB1 LYS 62 8.736 -12.428 -12.428 463 1HG LYS 62 HG2 LYS 62 9.034 -13.742 -13.742 464 2HG LYS 62 HG1 LYS 62 7.617 -14.735 -14.735 465 1HD LYS 62 HD2 LYS 62 7.293 -13.057 -13.057 466 2HD LYS 62 HD1 LYS 62 6.124 -12.924 -12.924 467 1HE LYS 62 HE2 LYS 62 6.771 -10.785 -10.785 468 2HE LYS 62 HE1 LYS 62 8.448 -11.315 -11.315 469 1HZ LYS 62 HZ1 LYS 62 7.292 -11.245 -11.245 470 2HZ LYS 62 HZ3 LYS 62 7.851 -9.802 -9.802 471 3HZ LYS 62 HZ2 LYS 62 8.918 -11.108 -11.108 472 HA PRO 63 HA PRO 63 12.324 -15.403 -15.403 473 1HB PRO 63 HB2 PRO 63 12.902 -17.766 -17.766 474 2HB PRO 63 HB1 PRO 63 12.083 -17.682 -17.682 475 1HG PRO 63 HG2 PRO 63 10.956 -18.169 -18.169 476 2HG PRO 63 HG1 PRO 63 10.487 -18.860 -18.860 477 1HD PRO 63 HD2 PRO 63 9.135 -16.832 -16.832 478 2HD PRO 63 HD1 PRO 63 9.063 -17.139 -17.139 479 H TYR 64 HN TYR 64 13.349 -13.812 -13.812 480 HA TYR 64 HA TYR 64 14.577 -14.567 -14.567 481 1HB TYR 64 HB2 TYR 64 11.930 -13.285 -13.285 482 2HB TYR 64 HB1 TYR 64 13.097 -12.434 -12.434 483 HD1 TYR 64 HD1 TYR 64 14.758 -14.382 -14.382 484 HD2 TYR 64 HD2 TYR 64 10.584 -14.709 -14.709 485 HE1 TYR 64 HE1 TYR 64 14.489 -16.112 -16.112 486 HE2 TYR 64 HE2 TYR 64 10.316 -16.439 -16.439 487 HH TYR 64 HH TYR 64 12.153 -18.201 -18.201 488 H SER 65 HN SER 65 15.980 -13.657 -13.657 489 HA SER 65 HA SER 65 16.184 -10.693 -10.693 490 1HB SER 65 HB2 SER 65 17.571 -11.009 -11.009 491 2HB SER 65 HB1 SER 65 16.166 -12.062 -12.062 492 HG SER 65 HG SER 65 17.399 -13.791 -13.791 493 H ILE 66 HN ILE 66 17.543 -9.841 -9.841 494 HA ILE 66 HA ILE 66 19.517 -11.452 -11.452 495 HB ILE 66 HB ILE 66 18.231 -9.591 -9.591 496 1HG1 ILE 66 HG12 ILE 66 20.262 -8.299 -8.299 497 2HG1 ILE 66 HG11 ILE 66 21.238 -9.314 -9.314 498 1HG2 ILE 66 HG21 ILE 66 18.840 -8.294 -8.294 499 2HG2 ILE 66 HG23 ILE 66 19.826 -7.453 -7.453 500 3HG2 ILE 66 HG22 ILE 66 18.079 -7.558 -7.558 501 1HD1 ILE 66 HD12 ILE 66 19.632 -11.176 -11.176 502 2HD1 ILE 66 HD11 ILE 66 19.858 -10.002 -10.002 503 3HD1 ILE 66 HD13 ILE 66 21.258 -10.760 -10.760 Start of MODEL 8 1 1H HIS 1 HT1 HIS 1 11.259 -36.577 -36.577 2 2H HIS 1 HT3 HIS 1 11.232 -38.214 -38.214 3 3H HIS 1 HT2 HIS 1 10.138 -37.125 -37.125 4 HA HIS 1 HA HIS 1 8.879 -38.293 -38.293 5 1HB HIS 1 HB2 HIS 1 9.867 -38.440 -38.440 6 2HB HIS 1 HB1 HIS 1 10.743 -39.344 -39.344 7 HD1 HIS 1 HD1 HIS 1 13.099 -38.540 -38.540 8 HD2 HIS 1 HD2 HIS 1 11.197 -36.042 -36.042 9 HE1 HIS 1 HE1 HIS 1 14.864 -36.934 -36.934 10 H PHE 2 HN PHE 2 7.627 -36.351 -36.351 11 HA PHE 2 HA PHE 2 7.658 -34.404 -34.404 12 1HB PHE 2 HB2 PHE 2 8.778 -33.938 -33.938 13 2HB PHE 2 HB1 PHE 2 7.226 -33.099 -33.099 14 HD1 PHE 2 HD1 PHE 2 6.957 -32.433 -32.433 15 HD2 PHE 2 HD2 PHE 2 10.328 -32.153 -32.153 16 HE1 PHE 2 HE1 PHE 2 7.911 -30.629 -30.629 17 HE2 PHE 2 HE2 PHE 2 11.283 -30.349 -30.349 18 HZ PHE 2 HZ PHE 2 10.075 -29.586 -29.586 19 H ALA 3 HN ALA 3 5.634 -35.442 -35.442 20 HA ALA 3 HA ALA 3 3.402 -35.413 -35.413 21 1HB ALA 3 HB1 ALA 3 3.861 -37.278 -37.278 22 2HB ALA 3 HB3 ALA 3 3.536 -36.168 -36.168 23 3HB ALA 3 HB2 ALA 3 2.248 -36.593 -36.593 24 H ALA 4 HN ALA 4 4.813 -33.154 -33.154 25 HA ALA 4 HA ALA 4 4.057 -31.091 -31.091 26 1HB ALA 4 HB2 ALA 4 3.122 -31.399 -31.399 27 2HB ALA 4 HB1 ALA 4 1.578 -31.361 -31.361 28 3HB ALA 4 HB3 ALA 4 2.691 -29.999 -29.999 29 H ASP 5 HN ASP 5 1.394 -30.222 -30.222 30 HA ASP 5 HA ASP 5 0.219 -32.334 -32.334 31 1HB ASP 5 HB2 ASP 5 1.575 -29.806 -29.806 32 2HB ASP 5 HB1 ASP 5 0.029 -30.061 -30.061 33 H CYS 6 HN CYS 6 -2.035 -32.140 -32.140 34 HA CYS 6 HA CYS 6 -3.366 -30.261 -30.261 35 1HB CYS 6 HB2 CYS 6 -4.444 -32.539 -32.539 36 2HB CYS 6 HB1 CYS 6 -5.257 -31.770 -31.770 37 H CYS 7 HN CYS 7 -5.079 -28.852 -28.852 38 HA CYS 7 HA CYS 7 -4.798 -27.961 -27.961 39 1HB CYS 7 HB2 CYS 7 -5.773 -26.911 -26.911 40 2HB CYS 7 HB1 CYS 7 -6.526 -26.257 -26.257 41 H THR 8 HN THR 8 -6.413 -28.255 -28.255 42 HA THR 8 HA THR 8 -8.841 -29.779 -29.779 43 HB THR 8 HB THR 8 -8.941 -30.323 -30.323 44 HG1 THR 8 HG1 THR 8 -6.879 -29.590 -29.590 45 1HG2 THR 8 HG22 THR 8 -6.772 -30.970 -30.970 46 2HG2 THR 8 HG21 THR 8 -6.224 -31.027 -31.027 47 3HG2 THR 8 HG23 THR 8 -7.598 -32.007 -32.007 48 H SER 9 HN SER 9 -7.751 -26.722 -26.722 49 HA SER 9 HA SER 9 -10.462 -25.599 -25.599 50 1HB SER 9 HB2 SER 9 -9.785 -24.717 -24.717 51 2HB SER 9 HB1 SER 9 -10.827 -26.108 -26.108 52 HG SER 9 HG SER 9 -9.268 -26.900 -26.900 53 H TYR 10 HN TYR 10 -10.314 -23.378 -23.378 54 HA TYR 10 HA TYR 10 -7.588 -22.317 -22.317 55 1HB TYR 10 HB2 TYR 10 -10.363 -21.261 -21.261 56 2HB TYR 10 HB1 TYR 10 -8.851 -20.565 -20.565 57 HD1 TYR 10 HD1 TYR 10 -7.196 -22.324 -22.324 58 HD2 TYR 10 HD2 TYR 10 -11.445 -22.835 -22.835 59 HE1 TYR 10 HE1 TYR 10 -7.159 -23.977 -23.977 60 HE2 TYR 10 HE2 TYR 10 -11.409 -24.485 -24.485 61 HH TYR 10 HH TYR 10 -8.430 -25.736 -25.736 62 H ILE 11 HN ILE 11 -7.112 -20.065 -20.065 63 HA ILE 11 HA ILE 11 -7.444 -19.702 -19.702 64 HB ILE 11 HB ILE 11 -6.226 -17.687 -17.687 65 1HG1 ILE 11 HG12 ILE 11 -7.905 -16.801 -16.801 66 2HG1 ILE 11 HG11 ILE 11 -6.218 -16.440 -16.440 67 1HG2 ILE 11 HG23 ILE 11 -5.161 -19.897 -19.897 68 2HG2 ILE 11 HG22 ILE 11 -5.448 -19.311 -19.311 69 3HG2 ILE 11 HG21 ILE 11 -4.414 -18.394 -18.394 70 1HD1 ILE 11 HD13 ILE 11 -6.184 -18.499 -18.499 71 2HD1 ILE 11 HD12 ILE 11 -7.931 -18.603 -18.603 72 3HD1 ILE 11 HD11 ILE 11 -7.228 -17.199 -17.199 73 H SER 12 HN SER 12 -8.517 -17.755 -17.755 74 HA SER 12 HA SER 12 -11.269 -17.476 -17.476 75 1HB SER 12 HB2 SER 12 -11.663 -17.553 -17.553 76 2HB SER 12 HB1 SER 12 -9.929 -17.622 -17.622 77 HG SER 12 HG SER 12 -11.149 -15.799 -15.799 78 H GLN 13 HN GLN 13 -8.441 -15.834 -15.834 79 HA GLN 13 HA GLN 13 -9.896 -13.372 -13.372 80 1HB GLN 13 HB2 GLN 13 -8.183 -12.027 -12.027 81 2HB GLN 13 HB1 GLN 13 -9.379 -12.904 -12.904 82 1HG GLN 13 HG2 GLN 13 -7.799 -14.225 -14.225 83 2HG GLN 13 HG1 GLN 13 -7.033 -14.536 -14.536 84 1HE2 GLN 13 HE21 GLN 13 -6.506 -13.052 -13.052 85 2HE2 GLN 13 HE22 GLN 13 -5.281 -11.971 -11.971 86 H SER 14 HN SER 14 -7.834 -11.733 -11.733 87 HA SER 14 HA SER 14 -6.745 -12.811 -12.811 88 1HB SER 14 HB2 SER 14 -6.513 -10.412 -10.412 89 2HB SER 14 HB1 SER 14 -5.066 -10.746 -10.746 90 HG SER 14 HG SER 14 -6.132 -9.921 -9.921 91 H ILE 15 HN ILE 15 -4.693 -13.716 -13.716 92 HA ILE 15 HA ILE 15 -3.369 -15.171 -15.171 93 HB ILE 15 HB ILE 15 -2.758 -14.587 -14.587 94 1HG1 ILE 15 HG12 ILE 15 -4.745 -16.042 -16.042 95 2HG1 ILE 15 HG11 ILE 15 -3.589 -16.786 -16.786 96 1HG2 ILE 15 HG22 ILE 15 -0.693 -15.028 -15.028 97 2HG2 ILE 15 HG21 ILE 15 -1.364 -16.619 -16.619 98 3HG2 ILE 15 HG23 ILE 15 -0.956 -16.172 -16.172 99 1HD1 ILE 15 HD13 ILE 15 -2.804 -17.175 -17.175 100 2HD1 ILE 15 HD12 ILE 15 -4.422 -17.806 -17.806 101 3HD1 ILE 15 HD11 ILE 15 -3.056 -18.376 -18.376 102 HA PRO 16 HA PRO 16 -0.562 -11.899 -11.899 103 1HB PRO 16 HB2 PRO 16 0.993 -13.366 -13.366 104 2HB PRO 16 HB1 PRO 16 -0.629 -12.802 -12.802 105 1HG PRO 16 HG2 PRO 16 0.285 -15.494 -15.494 106 2HG PRO 16 HG1 PRO 16 -0.974 -15.046 -15.046 107 1HD PRO 16 HD2 PRO 16 -1.414 -15.884 -15.884 108 2HD PRO 16 HD1 PRO 16 -2.573 -14.972 -14.972 109 H CYS 17 HN CYS 17 0.435 -11.800 -11.800 110 HA CYS 17 HA CYS 17 2.370 -13.649 -13.649 111 1HB CYS 17 HB2 CYS 17 2.284 -10.642 -10.642 112 2HB CYS 17 HB1 CYS 17 2.920 -11.834 -11.834 113 H SER 18 HN SER 18 2.595 -10.987 -10.987 114 HA SER 18 HA SER 18 5.462 -10.724 -10.724 115 1HB SER 18 HB2 SER 18 3.278 -9.437 -9.437 116 2HB SER 18 HB1 SER 18 4.004 -10.171 -10.171 117 HG SER 18 HG SER 18 5.539 -8.761 -8.761 118 H LEU 19 HN LEU 19 3.353 -13.074 -13.074 119 HA LEU 19 HA LEU 19 5.423 -14.040 -14.040 120 1HB LEU 19 HB2 LEU 19 2.639 -13.743 -13.743 121 2HB LEU 19 HB1 LEU 19 2.898 -15.482 -15.482 122 HG LEU 19 HG LEU 19 4.520 -13.883 -13.883 123 1HD1 LEU 19 HD13 LEU 19 1.907 -13.532 -13.532 124 2HD1 LEU 19 HD12 LEU 19 1.935 -15.163 -15.163 125 3HD1 LEU 19 HD11 LEU 19 2.842 -13.869 -13.869 126 1HD2 LEU 19 HD21 LEU 19 4.632 -16.473 -16.473 127 2HD2 LEU 19 HD23 LEU 19 5.008 -15.940 -15.940 128 3HD2 LEU 19 HD22 LEU 19 3.413 -16.595 -16.595 129 H MET 20 HN MET 20 5.471 -14.436 -14.436 130 HA MET 20 HA MET 20 5.907 -17.378 -17.378 131 1HB MET 20 HB2 MET 20 4.639 -16.601 -16.601 132 2HB MET 20 HB1 MET 20 4.221 -17.908 -17.908 133 1HG MET 20 HG2 MET 20 3.483 -15.054 -15.054 134 2HG MET 20 HG1 MET 20 2.474 -16.030 -16.030 135 1HE MET 20 HE3 MET 20 0.956 -17.589 -17.589 136 2HE MET 20 HE2 MET 20 0.289 -17.889 -17.889 137 3HE MET 20 HE1 MET 20 0.277 -16.256 -16.256 138 H LYS 21 HN LYS 21 7.547 -18.095 -18.095 139 HA LYS 21 HA LYS 21 9.165 -16.012 -16.012 140 1HB LYS 21 HB2 LYS 21 10.393 -17.352 -17.352 141 2HB LYS 21 HB1 LYS 21 9.592 -18.831 -18.831 142 1HG LYS 21 HG2 LYS 21 10.799 -18.895 -18.895 143 2HG LYS 21 HG1 LYS 21 11.291 -17.207 -17.207 144 1HD LYS 21 HD2 LYS 21 12.988 -17.684 -17.684 145 2HD LYS 21 HD1 LYS 21 12.121 -19.041 -19.041 146 1HE LYS 21 HE2 LYS 21 12.490 -20.163 -20.163 147 2HE LYS 21 HE1 LYS 21 13.800 -18.977 -18.977 148 1HZ LYS 21 HZ1 LYS 21 13.824 -20.023 -20.023 149 2HZ LYS 21 HZ3 LYS 21 13.746 -21.336 -21.336 150 3HZ LYS 21 HZ2 LYS 21 15.003 -20.204 -20.204 151 H SER 22 HN SER 22 7.373 -19.012 -19.012 152 HA SER 22 HA SER 22 7.532 -18.390 -18.390 153 1HB SER 22 HB2 SER 22 9.398 -19.964 -19.964 154 2HB SER 22 HB1 SER 22 8.111 -21.163 -21.163 155 HG SER 22 HG SER 22 8.031 -21.299 -21.299 156 H TYR 23 HN TYR 23 6.176 -20.292 -20.292 157 HA TYR 23 HA TYR 23 3.875 -21.174 -21.174 158 1HB TYR 23 HB2 TYR 23 2.287 -19.979 -19.979 159 2HB TYR 23 HB1 TYR 23 3.485 -18.820 -18.820 160 HD1 TYR 23 HD1 TYR 23 2.514 -20.950 -20.950 161 HD2 TYR 23 HD2 TYR 23 4.918 -17.666 -17.666 162 HE1 TYR 23 HE1 TYR 23 3.091 -20.386 -20.386 163 HE2 TYR 23 HE2 TYR 23 5.494 -17.104 -17.104 164 HH TYR 23 HH TYR 23 5.131 -17.565 -17.565 165 H PHE 24 HN PHE 24 2.619 -22.866 -22.866 166 HA PHE 24 HA PHE 24 3.668 -23.747 -23.747 167 1HB PHE 24 HB2 PHE 24 4.498 -25.803 -25.803 168 2HB PHE 24 HB1 PHE 24 5.003 -24.667 -24.667 169 HD1 PHE 24 HD1 PHE 24 2.330 -27.129 -27.129 170 HD2 PHE 24 HD2 PHE 24 4.272 -24.910 -24.910 171 HE1 PHE 24 HE1 PHE 24 1.088 -28.436 -28.436 172 HE2 PHE 24 HE2 PHE 24 3.027 -26.220 -26.220 173 HZ PHE 24 HZ PHE 24 1.436 -27.983 -27.983 174 H GLU 25 HN GLU 25 2.200 -25.083 -25.083 175 HA GLU 25 HA GLU 25 -0.575 -25.056 -25.056 176 1HB GLU 25 HB2 GLU 25 0.677 -25.823 -25.823 177 2HB GLU 25 HB1 GLU 25 -1.058 -25.726 -25.726 178 1HG GLU 25 HG2 GLU 25 -0.907 -23.552 -23.552 179 2HG GLU 25 HG1 GLU 25 -0.087 -23.290 -23.290 180 H THR 26 HN THR 26 -1.696 -26.953 -26.953 181 HA THR 26 HA THR 26 -0.216 -29.307 -29.307 182 HB THR 26 HB THR 26 -2.395 -30.140 -30.140 183 HG1 THR 26 HG1 THR 26 -3.612 -28.074 -28.074 184 1HG2 THR 26 HG22 THR 26 -1.444 -27.771 -27.771 185 2HG2 THR 26 HG21 THR 26 -3.011 -27.253 -27.253 186 3HG2 THR 26 HG23 THR 26 -2.924 -28.511 -28.511 187 H SER 27 HN SER 27 -1.516 -31.496 -31.496 188 HA SER 27 HA SER 27 -0.792 -31.513 -31.513 189 1HB SER 27 HB2 SER 27 -1.465 -33.764 -33.764 190 2HB SER 27 HB1 SER 27 -0.694 -33.927 -33.927 191 HG SER 27 HG SER 27 0.424 -33.407 -33.407 192 H SER 28 HN SER 28 -2.296 -32.156 -32.156 193 HA SER 28 HA SER 28 -5.081 -31.601 -31.601 194 1HB SER 28 HB2 SER 28 -4.064 -31.225 -31.225 195 2HB SER 28 HB1 SER 28 -3.531 -32.903 -32.903 196 HG SER 28 HG SER 28 -6.022 -31.792 -31.792 197 H GLU 29 HN GLU 29 -3.244 -34.309 -34.309 198 HA GLU 29 HA GLU 29 -5.127 -36.424 -36.424 199 1HB GLU 29 HB2 GLU 29 -2.503 -36.050 -36.050 200 2HB GLU 29 HB1 GLU 29 -3.420 -37.057 -37.057 201 1HG GLU 29 HG2 GLU 29 -3.426 -37.594 -37.594 202 2HG GLU 29 HG1 GLU 29 -2.177 -38.257 -38.257 203 H CYS 30 HN CYS 30 -4.704 -34.192 -34.192 204 HA CYS 30 HA CYS 30 -6.311 -35.668 -35.668 205 1HB CYS 30 HB2 CYS 30 -4.818 -33.191 -33.191 206 2HB CYS 30 HB1 CYS 30 -6.344 -32.925 -32.925 207 H SER 31 HN SER 31 -8.489 -35.245 -35.245 208 HA SER 31 HA SER 31 -10.340 -34.689 -34.689 209 1HB SER 31 HB2 SER 31 -11.050 -36.071 -36.071 210 2HB SER 31 HB1 SER 31 -10.445 -34.957 -34.957 211 HG SER 31 HG SER 31 -12.180 -33.745 -33.745 212 H LYS 32 HN LYS 32 -8.480 -32.517 -32.517 213 HA LYS 32 HA LYS 32 -10.138 -30.251 -30.251 214 1HB LYS 32 HB2 LYS 32 -11.045 -30.812 -30.812 215 2HB LYS 32 HB1 LYS 32 -9.427 -30.797 -30.797 216 1HG LYS 32 HG2 LYS 32 -9.342 -28.349 -28.349 217 2HG LYS 32 HG1 LYS 32 -11.100 -28.490 -28.490 218 1HD LYS 32 HD2 LYS 32 -10.131 -29.514 -29.514 219 2HD LYS 32 HD1 LYS 32 -9.369 -27.948 -27.948 220 1HE LYS 32 HE2 LYS 32 -11.306 -26.949 -26.949 221 2HE LYS 32 HE1 LYS 32 -12.109 -27.701 -27.701 222 1HZ LYS 32 HZ1 LYS 32 -12.063 -29.801 -29.801 223 2HZ LYS 32 HZ3 LYS 32 -11.816 -28.736 -28.736 224 3HZ LYS 32 HZ2 LYS 32 -13.224 -28.612 -28.612 225 HA PRO 33 HA PRO 33 -5.865 -29.021 -29.021 226 1HB PRO 33 HB2 PRO 33 -6.431 -26.815 -26.815 227 2HB PRO 33 HB1 PRO 33 -6.426 -28.463 -28.463 228 1HG PRO 33 HG2 PRO 33 -8.717 -26.746 -26.746 229 2HG PRO 33 HG1 PRO 33 -8.583 -27.876 -27.876 230 1HD PRO 33 HD2 PRO 33 -9.895 -28.432 -28.432 231 2HD PRO 33 HD1 PRO 33 -9.194 -29.669 -29.669 232 H GLY 34 HN GLY 34 -4.936 -26.526 -26.526 233 1HA GLY 34 HA2 GLY 34 -6.010 -24.457 -24.457 234 2HA GLY 34 HA1 GLY 34 -5.598 -25.606 -25.606 235 H VAL 35 HN VAL 35 -4.290 -23.228 -23.228 236 HA VAL 35 HA VAL 35 -1.550 -23.891 -23.891 237 HB VAL 35 HB VAL 35 -3.105 -21.303 -21.303 238 1HG1 VAL 35 HG13 VAL 35 -0.123 -21.743 -21.743 239 2HG1 VAL 35 HG12 VAL 35 -0.881 -20.281 -20.281 240 3HG1 VAL 35 HG11 VAL 35 -1.003 -20.669 -20.669 241 1HG2 VAL 35 HG21 VAL 35 -2.292 -23.145 -23.145 242 2HG2 VAL 35 HG23 VAL 35 -3.395 -21.772 -21.772 243 3HG2 VAL 35 HG22 VAL 35 -1.661 -21.527 -21.527 244 H ILE 36 HN ILE 36 -0.291 -24.420 -24.420 245 HA ILE 36 HA ILE 36 -0.960 -23.205 -23.205 246 HB ILE 36 HB ILE 36 0.577 -25.613 -25.613 247 1HG1 ILE 36 HG12 ILE 36 -1.843 -25.094 -25.094 248 2HG1 ILE 36 HG11 ILE 36 -1.735 -26.063 -26.063 249 1HG2 ILE 36 HG21 ILE 36 1.890 -24.442 -24.442 250 2HG2 ILE 36 HG23 ILE 36 0.490 -24.607 -24.607 251 3HG2 ILE 36 HG22 ILE 36 1.324 -26.045 -26.045 252 1HD1 ILE 36 HD13 ILE 36 -0.126 -27.579 -27.579 253 2HD1 ILE 36 HD12 ILE 36 -0.639 -26.718 -26.718 254 3HD1 ILE 36 HD11 ILE 36 -1.815 -27.633 -27.633 255 H PHE 37 HN PHE 37 0.381 -21.677 -21.677 256 HA PHE 37 HA PHE 37 2.836 -20.940 -20.940 257 1HB PHE 37 HB2 PHE 37 1.160 -19.684 -19.684 258 2HB PHE 37 HB1 PHE 37 2.685 -18.978 -18.978 259 HD1 PHE 37 HD1 PHE 37 -0.731 -19.949 -19.949 260 HD2 PHE 37 HD2 PHE 37 2.859 -17.817 -17.817 261 HE1 PHE 37 HE1 PHE 37 -1.896 -18.892 -18.892 262 HE2 PHE 37 HE2 PHE 37 1.694 -16.764 -16.764 263 HZ PHE 37 HZ PHE 37 -0.682 -17.299 -17.299 264 H LEU 38 HN LEU 38 4.893 -21.238 -21.238 265 HA LEU 38 HA LEU 38 5.086 -22.747 -22.747 266 1HB LEU 38 HB2 LEU 38 6.786 -22.299 -22.299 267 2HB LEU 38 HB1 LEU 38 7.532 -22.892 -22.892 268 HG LEU 38 HG LEU 38 5.085 -24.181 -24.181 269 1HD1 LEU 38 HD13 LEU 38 7.590 -24.115 -24.115 270 2HD1 LEU 38 HD12 LEU 38 7.637 -25.609 -25.609 271 3HD1 LEU 38 HD11 LEU 38 6.371 -25.360 -25.360 272 1HD2 LEU 38 HD23 LEU 38 6.617 -24.519 -24.519 273 2HD2 LEU 38 HD22 LEU 38 5.136 -25.341 -25.341 274 3HD2 LEU 38 HD21 LEU 38 6.707 -25.986 -25.986 275 H THR 39 HN THR 39 5.563 -21.569 -21.569 276 HA THR 39 HA THR 39 6.691 -18.847 -18.847 277 HB THR 39 HB THR 39 5.868 -18.568 -18.568 278 HG1 THR 39 HG1 THR 39 6.449 -20.132 -20.132 279 1HG2 THR 39 HG21 THR 39 4.169 -19.253 -19.253 280 2HG2 THR 39 HG23 THR 39 3.953 -20.689 -20.689 281 3HG2 THR 39 HG22 THR 39 3.616 -19.090 -19.090 282 H LYS 40 HN LYS 40 8.637 -18.215 -18.215 283 HA LYS 40 HA LYS 40 10.775 -20.129 -20.129 284 1HB LYS 40 HB2 LYS 40 10.267 -17.268 -17.268 285 2HB LYS 40 HB1 LYS 40 11.656 -17.948 -17.948 286 1HG LYS 40 HG2 LYS 40 12.720 -18.573 -18.573 287 2HG LYS 40 HG1 LYS 40 11.228 -18.406 -18.406 288 1HD LYS 40 HD2 LYS 40 12.648 -16.099 -16.099 289 2HD LYS 40 HD1 LYS 40 12.835 -16.505 -16.505 290 1HE LYS 40 HE2 LYS 40 10.976 -15.284 -15.284 291 2HE LYS 40 HE1 LYS 40 10.033 -16.424 -16.424 292 1HZ LYS 40 HZ3 LYS 40 11.661 -14.204 -14.204 293 2HZ LYS 40 HZ2 LYS 40 9.988 -14.098 -14.098 294 3HZ LYS 40 HZ1 LYS 40 10.597 -15.217 -15.217 295 H LYS 41 HN LYS 41 8.575 -18.918 -18.918 296 HA LYS 41 HA LYS 41 10.099 -19.753 -19.753 297 1HB LYS 41 HB2 LYS 41 7.742 -18.363 -18.363 298 2HB LYS 41 HB1 LYS 41 7.208 -19.762 -19.762 299 1HG LYS 41 HG2 LYS 41 8.639 -19.198 -19.198 300 2HG LYS 41 HG1 LYS 41 9.497 -17.989 -17.989 301 1HD LYS 41 HD2 LYS 41 7.699 -16.483 -16.483 302 2HD LYS 41 HD1 LYS 41 6.528 -17.748 -17.748 303 1HE LYS 41 HE2 LYS 41 6.938 -17.616 -17.616 304 2HE LYS 41 HE1 LYS 41 8.683 -17.411 -17.411 305 1HZ LYS 41 HZ2 LYS 41 8.147 -15.156 -15.156 306 2HZ LYS 41 HZ1 LYS 41 6.552 -15.371 -15.371 307 3HZ LYS 41 HZ3 LYS 41 7.827 -15.332 -15.332 308 H GLY 42 HN GLY 42 8.641 -21.577 -21.577 309 1HA GLY 42 HA2 GLY 42 8.610 -23.973 -23.973 310 2HA GLY 42 HA1 GLY 42 8.759 -23.996 -23.996 311 H ARG 43 HN ARG 43 6.418 -22.716 -22.716 312 HA ARG 43 HA ARG 43 4.256 -24.227 -24.227 313 1HB ARG 43 HB2 ARG 43 4.716 -21.878 -21.878 314 2HB ARG 43 HB1 ARG 43 4.015 -21.254 -21.254 315 1HG ARG 43 HG2 ARG 43 2.339 -23.358 -23.358 316 2HG ARG 43 HG1 ARG 43 2.641 -22.193 -22.193 317 1HD ARG 43 HD2 ARG 43 1.991 -20.352 -20.352 318 2HD ARG 43 HD1 ARG 43 1.533 -21.600 -21.600 319 HE ARG 43 HE ARG 43 0.375 -21.780 -21.780 320 1HH1 ARG 43 HH11 ARG 43 -0.666 -19.528 -19.528 321 2HH1 ARG 43 HH12 ARG 43 -2.069 -20.300 -20.300 322 1HH2 ARG 43 HH21 ARG 43 -1.129 -23.476 -23.476 323 2HH2 ARG 43 HH22 ARG 43 -2.331 -22.535 -22.535 324 H GLN 44 HN GLN 44 2.106 -23.732 -23.732 325 HA GLN 44 HA GLN 44 2.617 -23.048 -23.048 326 1HB GLN 44 HB2 GLN 44 1.660 -25.210 -25.210 327 2HB GLN 44 HB1 GLN 44 3.107 -25.454 -25.454 328 1HG GLN 44 HG2 GLN 44 1.669 -25.820 -25.820 329 2HG GLN 44 HG1 GLN 44 0.239 -25.627 -25.627 330 1HE2 GLN 44 HE21 GLN 44 1.835 -27.043 -27.043 331 2HE2 GLN 44 HE22 GLN 44 1.712 -28.688 -28.688 332 H VAL 45 HN VAL 45 0.875 -21.967 -21.967 333 HA VAL 45 HA VAL 45 -1.666 -21.997 -21.997 334 HB VAL 45 HB VAL 45 -0.467 -19.999 -19.999 335 1HG1 VAL 45 HG11 VAL 45 -3.118 -20.209 -20.209 336 2HG1 VAL 45 HG13 VAL 45 -2.382 -18.611 -18.611 337 3HG1 VAL 45 HG12 VAL 45 -2.716 -19.525 -19.525 338 1HG2 VAL 45 HG23 VAL 45 -0.265 -20.431 -20.431 339 2HG2 VAL 45 HG22 VAL 45 0.734 -19.434 -19.434 340 3HG2 VAL 45 HG21 VAL 45 -0.783 -18.798 -18.798 341 H CYS 46 HN CYS 46 -3.687 -21.805 -21.805 342 HA CYS 46 HA CYS 46 -3.321 -23.217 -23.217 343 1HB CYS 46 HB2 CYS 46 -4.905 -23.780 -23.780 344 2HB CYS 46 HB1 CYS 46 -5.833 -23.888 -23.888 345 H ALA 47 HN ALA 47 -3.946 -21.853 -21.853 346 HA ALA 47 HA ALA 47 -6.181 -19.931 -19.931 347 1HB ALA 47 HB2 ALA 47 -3.559 -19.465 -19.465 348 2HB ALA 47 HB1 ALA 47 -4.399 -19.408 -19.408 349 3HB ALA 47 HB3 ALA 47 -4.890 -18.332 -18.332 350 H LYS 48 HN LYS 48 -7.554 -19.458 -19.458 351 HA LYS 48 HA LYS 48 -8.234 -21.908 -21.908 352 1HB LYS 48 HB2 LYS 48 -9.408 -19.359 -19.359 353 2HB LYS 48 HB1 LYS 48 -9.752 -19.733 -19.733 354 1HG LYS 48 HG2 LYS 48 -10.211 -22.160 -22.160 355 2HG LYS 48 HG1 LYS 48 -10.634 -21.132 -21.132 356 1HD LYS 48 HD2 LYS 48 -11.707 -20.120 -20.120 357 2HD LYS 48 HD1 LYS 48 -12.293 -21.740 -21.740 358 1HE LYS 48 HE2 LYS 48 -13.040 -20.982 -20.982 359 2HE LYS 48 HE1 LYS 48 -12.385 -19.364 -19.364 360 1HZ LYS 48 HZ3 LYS 48 -13.802 -19.257 -19.257 361 2HZ LYS 48 HZ2 LYS 48 -14.472 -20.768 -20.768 362 3HZ LYS 48 HZ1 LYS 48 -14.727 -19.434 -19.434 363 HA PRO 49 HA PRO 49 -6.491 -20.938 -20.938 364 1HB PRO 49 HB2 PRO 49 -8.574 -21.088 -21.088 365 2HB PRO 49 HB1 PRO 49 -7.857 -22.514 -22.514 366 1HG PRO 49 HG2 PRO 49 -10.356 -21.034 -21.034 367 2HG PRO 49 HG1 PRO 49 -10.043 -22.774 -22.774 368 1HD PRO 49 HD2 PRO 49 -10.080 -21.243 -21.243 369 2HD PRO 49 HD1 PRO 49 -9.114 -22.725 -22.725 370 H SER 50 HN SER 50 -9.426 -19.095 -19.095 371 HA SER 50 HA SER 50 -8.276 -16.781 -16.781 372 1HB SER 50 HB2 SER 50 -11.160 -16.766 -16.766 373 2HB SER 50 HB1 SER 50 -10.315 -16.526 -16.526 374 HG SER 50 HG SER 50 -11.637 -18.465 -18.465 375 H GLY 51 HN GLY 51 -7.714 -17.421 -17.421 376 1HA GLY 51 HA2 GLY 51 -9.398 -15.880 -15.880 377 2HA GLY 51 HA1 GLY 51 -7.756 -16.413 -16.413 378 HA PRO 52 HA PRO 52 -8.041 -11.867 -11.867 379 1HB PRO 52 HB2 PRO 52 -9.009 -10.500 -10.500 380 2HB PRO 52 HB1 PRO 52 -10.045 -11.096 -11.096 381 1HG PRO 52 HG2 PRO 52 -9.538 -12.254 -12.254 382 2HG PRO 52 HG1 PRO 52 -11.048 -12.155 -12.155 383 1HD PRO 52 HD2 PRO 52 -9.542 -14.423 -14.423 384 2HD PRO 52 HD1 PRO 52 -10.583 -14.049 -14.049 385 H GLY 53 HN GLY 53 -5.737 -12.255 -12.255 386 1HA GLY 53 HA2 GLY 53 -4.033 -10.797 -10.797 387 2HA GLY 53 HA1 GLY 53 -4.655 -11.625 -11.625 388 H VAL 54 HN VAL 54 -4.966 -14.110 -14.110 389 HA VAL 54 HA VAL 54 -2.559 -15.441 -15.441 390 HB VAL 54 HB VAL 54 -4.802 -15.935 -15.935 391 1HG1 VAL 54 HG11 VAL 54 -2.247 -17.473 -17.473 392 2HG1 VAL 54 HG13 VAL 54 -3.741 -18.348 -18.348 393 3HG1 VAL 54 HG12 VAL 54 -3.152 -17.137 -17.137 394 1HG2 VAL 54 HG22 VAL 54 -3.911 -17.182 -17.182 395 2HG2 VAL 54 HG21 VAL 54 -5.356 -16.209 -16.209 396 3HG2 VAL 54 HG23 VAL 54 -5.225 -17.816 -17.816 397 H GLN 55 HN GLN 55 -3.514 -13.883 -13.883 398 HA GLN 55 HA GLN 55 -1.129 -14.658 -14.658 399 1HB GLN 55 HB2 GLN 55 -3.561 -13.148 -13.148 400 2HB GLN 55 HB1 GLN 55 -2.200 -12.205 -12.205 401 1HG GLN 55 HG2 GLN 55 -2.666 -13.488 -13.488 402 2HG GLN 55 HG1 GLN 55 -1.501 -14.537 -14.537 403 1HE2 GLN 55 HE21 GLN 55 -2.280 -16.531 -16.531 404 2HE2 GLN 55 HE22 GLN 55 -3.877 -17.068 -17.068 405 H ASP 56 HN ASP 56 -1.948 -12.081 -12.081 406 HA ASP 56 HA ASP 56 0.274 -10.335 -10.335 407 1HB ASP 56 HB2 ASP 56 -1.789 -9.697 -9.697 408 2HB ASP 56 HB1 ASP 56 -1.339 -10.792 -10.792 409 H CYS 57 HN CYS 57 -0.241 -13.000 -13.000 410 HA CYS 57 HA CYS 57 2.315 -12.801 -12.801 411 1HB CYS 57 HB2 CYS 57 0.357 -15.065 -15.065 412 2HB CYS 57 HB1 CYS 57 1.767 -15.221 -15.221 413 H MET 58 HN MET 58 1.168 -14.747 -14.747 414 HA MET 58 HA MET 58 3.725 -16.012 -16.012 415 1HB MET 58 HB2 MET 58 1.399 -15.500 -15.500 416 2HB MET 58 HB1 MET 58 2.625 -16.758 -16.758 417 1HG MET 58 HG2 MET 58 1.756 -18.006 -18.006 418 2HG MET 58 HG1 MET 58 0.992 -16.603 -16.603 419 1HE MET 58 HE1 MET 58 1.335 -17.834 -17.834 420 2HE MET 58 HE3 MET 58 0.537 -19.348 -19.348 421 3HE MET 58 HE2 MET 58 -0.276 -18.196 -18.196 422 H LYS 59 HN LYS 59 2.383 -12.893 -12.893 423 HA LYS 59 HA LYS 59 3.967 -12.336 -12.336 424 1HB LYS 59 HB2 LYS 59 2.177 -10.993 -10.993 425 2HB LYS 59 HB1 LYS 59 3.493 -9.938 -9.938 426 1HG LYS 59 HG2 LYS 59 2.973 -10.478 -10.478 427 2HG LYS 59 HG1 LYS 59 1.624 -11.477 -11.477 428 1HD LYS 59 HD2 LYS 59 0.525 -9.548 -9.548 429 2HD LYS 59 HD1 LYS 59 1.918 -8.526 -8.526 430 1HE LYS 59 HE2 LYS 59 0.656 -9.994 -9.994 431 2HE LYS 59 HE1 LYS 59 -0.187 -8.572 -8.572 432 1HZ LYS 59 HZ3 LYS 59 2.683 -8.680 -8.680 433 2HZ LYS 59 HZ2 LYS 59 1.447 -7.943 -7.943 434 3HZ LYS 59 HZ1 LYS 59 1.878 -7.322 -7.322 435 H LYS 60 HN LYS 60 4.393 -11.398 -11.398 436 HA LYS 60 HA LYS 60 7.071 -10.363 -10.363 437 1HB LYS 60 HB2 LYS 60 5.287 -9.968 -9.968 438 2HB LYS 60 HB1 LYS 60 5.926 -11.448 -11.448 439 1HG LYS 60 HG2 LYS 60 7.932 -9.429 -9.429 440 2HG LYS 60 HG1 LYS 60 6.946 -9.004 -9.004 441 1HD LYS 60 HD2 LYS 60 7.991 -11.771 -11.771 442 2HD LYS 60 HD1 LYS 60 9.219 -10.513 -10.513 443 1HE LYS 60 HE2 LYS 60 6.730 -10.425 -10.425 444 2HE LYS 60 HE1 LYS 60 8.152 -11.361 -11.361 445 1HZ LYS 60 HZ2 LYS 60 8.466 -8.604 -8.604 446 2HZ LYS 60 HZ1 LYS 60 8.009 -8.858 -8.858 447 3HZ LYS 60 HZ3 LYS 60 9.478 -9.484 -9.484 448 H LEU 61 HN LEU 61 5.712 -13.542 -13.542 449 HA LEU 61 HA LEU 61 8.211 -14.769 -14.769 450 1HB LEU 61 HB2 LEU 61 5.397 -15.519 -15.519 451 2HB LEU 61 HB1 LEU 61 6.590 -16.812 -16.812 452 HG LEU 61 HG LEU 61 7.204 -16.590 -16.590 453 1HD1 LEU 61 HD11 LEU 61 6.014 -13.844 -13.844 454 2HD1 LEU 61 HD13 LEU 61 6.142 -14.583 -14.583 455 3HD1 LEU 61 HD12 LEU 61 7.592 -14.314 -14.314 456 1HD2 LEU 61 HD23 LEU 61 4.241 -16.096 -16.096 457 2HD2 LEU 61 HD22 LEU 61 5.061 -17.633 -17.633 458 3HD2 LEU 61 HD21 LEU 61 4.969 -16.442 -16.442 459 H LYS 62 HN LYS 62 7.590 -13.451 -13.451 460 HA LYS 62 HA LYS 62 9.028 -15.619 -15.619 461 1HB LYS 62 HB2 LYS 62 6.699 -15.594 -15.594 462 2HB LYS 62 HB1 LYS 62 6.714 -13.839 -13.839 463 1HG LYS 62 HG2 LYS 62 8.006 -13.905 -13.905 464 2HG LYS 62 HG1 LYS 62 8.604 -15.529 -15.529 465 1HD LYS 62 HD2 LYS 62 6.189 -16.322 -16.322 466 2HD LYS 62 HD1 LYS 62 5.832 -14.722 -14.722 467 1HE LYS 62 HE2 LYS 62 7.444 -15.050 -15.050 468 2HE LYS 62 HE1 LYS 62 7.947 -16.603 -16.603 469 1HZ LYS 62 HZ2 LYS 62 5.534 -17.245 -17.245 470 2HZ LYS 62 HZ1 LYS 62 5.271 -15.859 -15.859 471 3HZ LYS 62 HZ3 LYS 62 6.296 -17.087 -17.087 472 HA PRO 63 HA PRO 63 11.619 -11.940 -11.940 473 1HB PRO 63 HB2 PRO 63 13.884 -13.330 -13.330 474 2HB PRO 63 HB1 PRO 63 13.332 -13.110 -13.110 475 1HG PRO 63 HG2 PRO 63 13.076 -15.471 -15.471 476 2HG PRO 63 HG1 PRO 63 13.373 -15.404 -15.404 477 1HD PRO 63 HD2 PRO 63 10.934 -15.965 -15.965 478 2HD PRO 63 HD1 PRO 63 11.147 -15.300 -15.300 479 H TYR 64 HN TYR 64 10.436 -11.338 -11.338 480 HA TYR 64 HA TYR 64 11.845 -12.224 -12.224 481 1HB TYR 64 HB2 TYR 64 9.444 -13.202 -13.202 482 2HB TYR 64 HB1 TYR 64 8.906 -11.697 -11.697 483 HD1 TYR 64 HD1 TYR 64 9.495 -11.188 -11.188 484 HD2 TYR 64 HD2 TYR 64 10.378 -14.986 -14.986 485 HE1 TYR 64 HE1 TYR 64 9.841 -12.176 -12.176 486 HE2 TYR 64 HE2 TYR 64 10.725 -15.973 -15.973 487 HH TYR 64 HH TYR 64 11.253 -14.251 -14.251 488 H SER 65 HN SER 65 11.364 -9.696 -9.696 489 HA SER 65 HA SER 65 11.664 -7.738 -7.738 490 1HB SER 65 HB2 SER 65 9.332 -7.346 -7.346 491 2HB SER 65 HB1 SER 65 9.594 -6.664 -6.664 492 HG SER 65 HG SER 65 8.040 -8.390 -8.390 493 H ILE 66 HN ILE 66 11.504 -5.407 -5.407 494 HA ILE 66 HA ILE 66 13.645 -5.203 -5.203 495 HB ILE 66 HB ILE 66 12.777 -3.338 -3.338 496 1HG1 ILE 66 HG12 ILE 66 11.945 -2.098 -2.098 497 2HG1 ILE 66 HG11 ILE 66 13.231 -3.243 -3.243 498 1HG2 ILE 66 HG21 ILE 66 10.249 -3.987 -3.987 499 2HG2 ILE 66 HG23 ILE 66 10.513 -2.363 -2.363 500 3HG2 ILE 66 HG22 ILE 66 10.478 -3.743 -3.743 501 1HD1 ILE 66 HD13 ILE 66 14.420 -2.198 -2.198 502 2HD1 ILE 66 HD12 ILE 66 13.303 -0.857 -0.857 503 3HD1 ILE 66 HD11 ILE 66 14.438 -1.314 -1.314 Start of MODEL 9 1 1H HIS 1 HT1 HIS 1 6.989 -39.497 -39.497 2 2H HIS 1 HT3 HIS 1 6.197 -39.950 -39.950 3 3H HIS 1 HT2 HIS 1 7.319 -41.005 -41.005 4 HA HIS 1 HA HIS 1 5.895 -41.486 -41.486 5 1HB HIS 1 HB2 HIS 1 4.835 -41.442 -41.442 6 2HB HIS 1 HB1 HIS 1 3.715 -41.905 -41.905 7 HD1 HIS 1 HD1 HIS 1 4.389 -44.127 -44.127 8 HD2 HIS 1 HD2 HIS 1 6.792 -43.250 -43.250 9 HE1 HIS 1 HE1 HIS 1 5.709 -46.231 -46.231 10 H PHE 2 HN PHE 2 5.952 -39.047 -39.047 11 HA PHE 2 HA PHE 2 3.156 -38.284 -38.284 12 1HB PHE 2 HB2 PHE 2 3.459 -36.023 -36.023 13 2HB PHE 2 HB1 PHE 2 3.667 -37.281 -37.281 14 HD1 PHE 2 HD1 PHE 2 5.405 -34.810 -34.810 15 HD2 PHE 2 HD2 PHE 2 5.837 -37.754 -37.754 16 HE1 PHE 2 HE1 PHE 2 7.693 -33.976 -33.976 17 HE2 PHE 2 HE2 PHE 2 8.122 -36.921 -36.921 18 HZ PHE 2 HZ PHE 2 9.052 -35.032 -35.032 19 H ALA 3 HN ALA 3 3.023 -36.552 -36.552 20 HA ALA 3 HA ALA 3 5.469 -35.604 -35.604 21 1HB ALA 3 HB2 ALA 3 4.333 -38.149 -38.149 22 2HB ALA 3 HB1 ALA 3 4.078 -37.070 -37.070 23 3HB ALA 3 HB3 ALA 3 5.709 -37.348 -37.348 24 H ALA 4 HN ALA 4 1.961 -36.144 -36.144 25 HA ALA 4 HA ALA 4 1.693 -33.668 -33.668 26 1HB ALA 4 HB3 ALA 4 -0.083 -36.044 -36.044 27 2HB ALA 4 HB2 ALA 4 -0.658 -34.633 -34.633 28 3HB ALA 4 HB1 ALA 4 0.646 -35.619 -35.619 29 H ASP 5 HN ASP 5 0.849 -31.842 -31.842 30 HA ASP 5 HA ASP 5 -0.382 -32.125 -32.125 31 1HB ASP 5 HB2 ASP 5 1.640 -30.352 -30.352 32 2HB ASP 5 HB1 ASP 5 0.463 -29.528 -29.528 33 H CYS 6 HN CYS 6 -2.503 -32.405 -32.405 34 HA CYS 6 HA CYS 6 -3.502 -30.030 -30.030 35 1HB CYS 6 HB2 CYS 6 -4.901 -32.620 -32.620 36 2HB CYS 6 HB1 CYS 6 -5.328 -31.494 -31.494 37 H CYS 7 HN CYS 7 -4.876 -28.542 -28.542 38 HA CYS 7 HA CYS 7 -5.498 -28.810 -28.810 39 1HB CYS 7 HB2 CYS 7 -5.944 -26.586 -26.586 40 2HB CYS 7 HB1 CYS 7 -5.990 -26.439 -26.439 41 H THR 8 HN THR 8 -7.639 -28.817 -28.817 42 HA THR 8 HA THR 8 -9.753 -29.536 -29.536 43 HB THR 8 HB THR 8 -10.919 -30.227 -30.227 44 HG1 THR 8 HG1 THR 8 -9.460 -30.348 -30.348 45 1HG2 THR 8 HG23 THR 8 -9.614 -31.810 -31.810 46 2HG2 THR 8 HG22 THR 8 -8.165 -31.397 -31.397 47 3HG2 THR 8 HG21 THR 8 -9.512 -32.205 -32.205 48 H SER 9 HN SER 9 -8.686 -26.984 -26.984 49 HA SER 9 HA SER 9 -11.160 -25.426 -25.426 50 1HB SER 9 HB2 SER 9 -9.745 -25.239 -25.239 51 2HB SER 9 HB1 SER 9 -11.410 -24.806 -24.806 52 HG SER 9 HG SER 9 -11.827 -27.034 -27.034 53 H TYR 10 HN TYR 10 -10.226 -23.097 -23.097 54 HA TYR 10 HA TYR 10 -7.548 -22.511 -22.511 55 1HB TYR 10 HB2 TYR 10 -10.103 -21.051 -21.051 56 2HB TYR 10 HB1 TYR 10 -8.480 -20.592 -20.592 57 HD1 TYR 10 HD1 TYR 10 -7.072 -22.418 -22.418 58 HD2 TYR 10 HD2 TYR 10 -11.338 -22.607 -22.607 59 HE1 TYR 10 HE1 TYR 10 -7.203 -24.060 -24.060 60 HE2 TYR 10 HE2 TYR 10 -11.471 -24.244 -24.244 61 HH TYR 10 HH TYR 10 -9.696 -24.702 -24.702 62 H ILE 11 HN ILE 11 -6.755 -20.365 -20.365 63 HA ILE 11 HA ILE 11 -6.926 -19.929 -19.929 64 HB ILE 11 HB ILE 11 -5.881 -17.810 -17.810 65 1HG1 ILE 11 HG12 ILE 11 -7.680 -17.047 -17.047 66 2HG1 ILE 11 HG11 ILE 11 -6.041 -16.685 -16.685 67 1HG2 ILE 11 HG22 ILE 11 -4.769 -20.015 -20.015 68 2HG2 ILE 11 HG21 ILE 11 -5.155 -19.456 -19.456 69 3HG2 ILE 11 HG23 ILE 11 -4.108 -18.488 -18.488 70 1HD1 ILE 11 HD13 ILE 11 -6.177 -18.954 -18.954 71 2HD1 ILE 11 HD12 ILE 11 -7.918 -18.821 -18.821 72 3HD1 ILE 11 HD11 ILE 11 -7.064 -17.586 -17.586 73 H SER 12 HN SER 12 -7.819 -17.724 -17.724 74 HA SER 12 HA SER 12 -10.735 -17.679 -17.679 75 1HB SER 12 HB2 SER 12 -10.207 -16.141 -16.141 76 2HB SER 12 HB1 SER 12 -10.698 -17.833 -17.833 77 HG SER 12 HG SER 12 -8.667 -17.234 -17.234 78 H GLN 13 HN GLN 13 -8.071 -15.964 -15.964 79 HA GLN 13 HA GLN 13 -9.695 -13.659 -13.659 80 1HB GLN 13 HB2 GLN 13 -8.275 -12.045 -12.045 81 2HB GLN 13 HB1 GLN 13 -9.161 -13.130 -13.130 82 1HG GLN 13 HG2 GLN 13 -7.233 -14.439 -14.439 83 2HG GLN 13 HG1 GLN 13 -6.355 -13.759 -13.759 84 1HE2 GLN 13 HE21 GLN 13 -6.739 -13.504 -13.504 85 2HE2 GLN 13 HE22 GLN 13 -6.063 -11.961 -11.961 86 H SER 14 HN SER 14 -7.964 -11.932 -11.932 87 HA SER 14 HA SER 14 -6.753 -12.974 -12.974 88 1HB SER 14 HB2 SER 14 -7.055 -10.539 -10.539 89 2HB SER 14 HB1 SER 14 -5.348 -10.779 -10.779 90 HG SER 14 HG SER 14 -6.212 -11.426 -11.426 91 H ILE 15 HN ILE 15 -4.699 -13.856 -13.856 92 HA ILE 15 HA ILE 15 -3.316 -15.255 -15.255 93 HB ILE 15 HB ILE 15 -2.816 -14.744 -14.744 94 1HG1 ILE 15 HG12 ILE 15 -4.707 -16.234 -16.234 95 2HG1 ILE 15 HG11 ILE 15 -3.464 -17.081 -17.081 96 1HG2 ILE 15 HG23 ILE 15 -0.676 -15.064 -15.064 97 2HG2 ILE 15 HG22 ILE 15 -1.283 -16.668 -16.668 98 3HG2 ILE 15 HG21 ILE 15 -0.954 -16.255 -16.255 99 1HD1 ILE 15 HD11 ILE 15 -2.615 -17.229 -17.229 100 2HD1 ILE 15 HD13 ILE 15 -4.351 -17.532 -17.532 101 3HD1 ILE 15 HD12 ILE 15 -3.313 -18.537 -18.537 102 HA PRO 16 HA PRO 16 -0.543 -11.928 -11.928 103 1HB PRO 16 HB2 PRO 16 1.099 -13.354 -13.354 104 2HB PRO 16 HB1 PRO 16 -0.523 -12.830 -12.830 105 1HG PRO 16 HG2 PRO 16 0.428 -15.500 -15.500 106 2HG PRO 16 HG1 PRO 16 -0.803 -15.081 -15.081 107 1HD PRO 16 HD2 PRO 16 -1.313 -15.933 -15.933 108 2HD PRO 16 HD1 PRO 16 -2.456 -15.040 -15.040 109 H CYS 17 HN CYS 17 0.380 -11.817 -11.817 110 HA CYS 17 HA CYS 17 2.319 -13.627 -13.627 111 1HB CYS 17 HB2 CYS 17 2.141 -10.619 -10.619 112 2HB CYS 17 HB1 CYS 17 2.827 -11.778 -11.778 113 H SER 18 HN SER 18 2.581 -10.913 -10.913 114 HA SER 18 HA SER 18 5.463 -10.714 -10.714 115 1HB SER 18 HB2 SER 18 3.766 -9.009 -9.009 116 2HB SER 18 HB1 SER 18 3.512 -10.014 -10.014 117 HG SER 18 HG SER 18 5.062 -8.402 -8.402 118 H LEU 19 HN LEU 19 3.266 -12.894 -12.894 119 HA LEU 19 HA LEU 19 5.246 -13.861 -13.861 120 1HB LEU 19 HB2 LEU 19 2.743 -13.380 -13.380 121 2HB LEU 19 HB1 LEU 19 2.440 -14.852 -14.852 122 HG LEU 19 HG LEU 19 3.727 -16.170 -16.170 123 1HD1 LEU 19 HD12 LEU 19 4.708 -13.514 -13.514 124 2HD1 LEU 19 HD11 LEU 19 4.284 -14.512 -14.512 125 3HD1 LEU 19 HD13 LEU 19 5.465 -15.092 -15.092 126 1HD2 LEU 19 HD21 LEU 19 1.396 -14.627 -14.627 127 2HD2 LEU 19 HD23 LEU 19 1.817 -16.270 -16.270 128 3HD2 LEU 19 HD22 LEU 19 2.378 -14.898 -14.898 129 H MET 20 HN MET 20 5.389 -14.333 -14.333 130 HA MET 20 HA MET 20 5.747 -17.296 -17.296 131 1HB MET 20 HB2 MET 20 4.513 -16.044 -16.044 132 2HB MET 20 HB1 MET 20 4.424 -17.717 -17.717 133 1HG MET 20 HG2 MET 20 3.197 -15.498 -15.498 134 2HG MET 20 HG1 MET 20 2.323 -16.232 -16.232 135 1HE MET 20 HE1 MET 20 0.625 -16.601 -16.601 136 2HE MET 20 HE3 MET 20 0.443 -18.347 -18.347 137 3HE MET 20 HE2 MET 20 0.403 -17.654 -17.654 138 H LYS 21 HN LYS 21 7.576 -18.007 -18.007 139 HA LYS 21 HA LYS 21 9.303 -16.022 -16.022 140 1HB LYS 21 HB2 LYS 21 10.429 -17.314 -17.314 141 2HB LYS 21 HB1 LYS 21 9.569 -18.787 -18.787 142 1HG LYS 21 HG2 LYS 21 10.790 -18.890 -18.890 143 2HG LYS 21 HG1 LYS 21 11.607 -17.371 -17.371 144 1HD LYS 21 HD2 LYS 21 12.474 -18.514 -18.514 145 2HD LYS 21 HD1 LYS 21 11.887 -20.028 -20.028 146 1HE LYS 21 HE2 LYS 21 14.133 -19.958 -19.958 147 2HE LYS 21 HE1 LYS 21 13.260 -19.275 -19.275 148 1HZ LYS 21 HZ2 LYS 21 13.520 -17.101 -17.101 149 2HZ LYS 21 HZ1 LYS 21 14.887 -17.926 -17.926 150 3HZ LYS 21 HZ3 LYS 21 14.738 -17.593 -17.593 151 H SER 22 HN SER 22 7.393 -18.916 -18.916 152 HA SER 22 HA SER 22 7.799 -18.420 -18.420 153 1HB SER 22 HB2 SER 22 9.284 -20.295 -20.295 154 2HB SER 22 HB1 SER 22 8.036 -21.249 -21.249 155 HG SER 22 HG SER 22 8.910 -20.838 -20.838 156 H TYR 23 HN TYR 23 6.410 -20.243 -20.243 157 HA TYR 23 HA TYR 23 3.981 -21.015 -21.015 158 1HB TYR 23 HB2 TYR 23 2.536 -19.762 -19.762 159 2HB TYR 23 HB1 TYR 23 3.750 -18.651 -18.651 160 HD1 TYR 23 HD1 TYR 23 2.976 -20.863 -20.863 161 HD2 TYR 23 HD2 TYR 23 5.212 -17.497 -17.497 162 HE1 TYR 23 HE1 TYR 23 3.730 -20.369 -20.369 163 HE2 TYR 23 HE2 TYR 23 5.967 -17.002 -17.002 164 HH TYR 23 HH TYR 23 6.267 -18.517 -18.517 165 H PHE 24 HN PHE 24 2.765 -22.711 -22.711 166 HA PHE 24 HA PHE 24 3.876 -23.574 -23.574 167 1HB PHE 24 HB2 PHE 24 4.730 -25.602 -25.602 168 2HB PHE 24 HB1 PHE 24 5.103 -24.541 -24.541 169 HD1 PHE 24 HD1 PHE 24 2.411 -26.853 -26.853 170 HD2 PHE 24 HD2 PHE 24 4.394 -25.118 -25.118 171 HE1 PHE 24 HE1 PHE 24 1.101 -28.313 -28.313 172 HE2 PHE 24 HE2 PHE 24 3.087 -26.588 -26.588 173 HZ PHE 24 HZ PHE 24 1.438 -28.182 -28.182 174 H GLU 25 HN GLU 25 2.419 -24.789 -24.789 175 HA GLU 25 HA GLU 25 -0.380 -24.809 -24.809 176 1HB GLU 25 HB2 GLU 25 -0.865 -25.186 -25.186 177 2HB GLU 25 HB1 GLU 25 0.330 -23.896 -23.896 178 1HG GLU 25 HG2 GLU 25 2.136 -25.544 -25.544 179 2HG GLU 25 HG1 GLU 25 0.925 -26.814 -26.814 180 H THR 26 HN THR 26 -1.529 -26.736 -26.736 181 HA THR 26 HA THR 26 0.006 -29.156 -29.156 182 HB THR 26 HB THR 26 -2.205 -30.016 -30.016 183 HG1 THR 26 HG1 THR 26 -3.324 -29.008 -29.008 184 1HG2 THR 26 HG23 THR 26 -1.541 -27.175 -27.175 185 2HG2 THR 26 HG22 THR 26 -2.856 -28.066 -28.066 186 3HG2 THR 26 HG21 THR 26 -1.199 -28.655 -28.655 187 H SER 27 HN SER 27 -1.534 -31.219 -31.219 188 HA SER 27 HA SER 27 -1.089 -31.092 -31.092 189 1HB SER 27 HB2 SER 27 -1.616 -33.388 -33.388 190 2HB SER 27 HB1 SER 27 -1.157 -33.554 -33.554 191 HG SER 27 HG SER 27 0.742 -33.643 -33.643 192 H SER 28 HN SER 28 -2.783 -31.353 -31.353 193 HA SER 28 HA SER 28 -5.484 -30.865 -30.865 194 1HB SER 28 HB2 SER 28 -5.936 -31.359 -31.359 195 2HB SER 28 HB1 SER 28 -4.658 -30.173 -30.173 196 HG SER 28 HG SER 28 -4.362 -32.931 -32.931 197 H GLU 29 HN GLU 29 -3.632 -33.681 -33.681 198 HA GLU 29 HA GLU 29 -5.679 -35.636 -35.636 199 1HB GLU 29 HB2 GLU 29 -2.975 -35.628 -35.628 200 2HB GLU 29 HB1 GLU 29 -3.452 -36.315 -36.315 201 1HG GLU 29 HG2 GLU 29 -3.369 -38.246 -38.246 202 2HG GLU 29 HG1 GLU 29 -5.053 -37.785 -37.785 203 H CYS 30 HN CYS 30 -4.889 -33.749 -33.749 204 HA CYS 30 HA CYS 30 -6.100 -35.468 -35.468 205 1HB CYS 30 HB2 CYS 30 -4.781 -32.897 -32.897 206 2HB CYS 30 HB1 CYS 30 -6.186 -32.766 -32.766 207 H SER 31 HN SER 31 -8.208 -35.245 -35.245 208 HA SER 31 HA SER 31 -10.356 -34.627 -34.627 209 1HB SER 31 HB2 SER 31 -10.932 -36.079 -36.079 210 2HB SER 31 HB1 SER 31 -9.955 -35.222 -35.222 211 HG SER 31 HG SER 31 -12.502 -35.050 -35.050 212 H LYS 32 HN LYS 32 -8.353 -32.555 -32.555 213 HA LYS 32 HA LYS 32 -10.061 -30.235 -30.235 214 1HB LYS 32 HB2 LYS 32 -9.653 -31.397 -31.397 215 2HB LYS 32 HB1 LYS 32 -9.432 -29.649 -29.649 216 1HG LYS 32 HG2 LYS 32 -11.721 -30.169 -30.169 217 2HG LYS 32 HG1 LYS 32 -11.889 -31.196 -31.196 218 1HD LYS 32 HD2 LYS 32 -11.209 -29.082 -29.082 219 2HD LYS 32 HD1 LYS 32 -11.595 -28.196 -28.196 220 1HE LYS 32 HE2 LYS 32 -13.568 -30.184 -30.184 221 2HE LYS 32 HE1 LYS 32 -13.496 -28.530 -28.530 222 1HZ LYS 32 HZ3 LYS 32 -13.408 -27.927 -27.927 223 2HZ LYS 32 HZ2 LYS 32 -14.121 -29.455 -29.455 224 3HZ LYS 32 HZ1 LYS 32 -14.903 -28.270 -28.270 225 HA PRO 33 HA PRO 33 -5.761 -29.088 -29.088 226 1HB PRO 33 HB2 PRO 33 -6.329 -26.925 -26.925 227 2HB PRO 33 HB1 PRO 33 -6.308 -28.589 -28.589 228 1HG PRO 33 HG2 PRO 33 -8.618 -26.867 -26.867 229 2HG PRO 33 HG1 PRO 33 -8.465 -28.032 -28.032 230 1HD PRO 33 HD2 PRO 33 -9.790 -28.535 -28.535 231 2HD PRO 33 HD1 PRO 33 -9.069 -29.795 -29.795 232 H GLY 34 HN GLY 34 -4.815 -26.627 -26.627 233 1HA GLY 34 HA2 GLY 34 -5.846 -24.485 -24.485 234 2HA GLY 34 HA1 GLY 34 -5.537 -25.608 -25.608 235 H VAL 35 HN VAL 35 -4.180 -23.079 -23.079 236 HA VAL 35 HA VAL 35 -1.423 -23.965 -23.965 237 HB VAL 35 HB VAL 35 -2.914 -21.343 -21.343 238 1HG1 VAL 35 HG11 VAL 35 0.059 -21.810 -21.810 239 2HG1 VAL 35 HG13 VAL 35 -0.588 -20.381 -20.381 240 3HG1 VAL 35 HG12 VAL 35 -0.913 -20.652 -20.652 241 1HG2 VAL 35 HG22 VAL 35 -2.728 -22.978 -22.978 242 2HG2 VAL 35 HG21 VAL 35 -2.460 -21.255 -21.255 243 3HG2 VAL 35 HG23 VAL 35 -1.085 -22.353 -22.353 244 H ILE 36 HN ILE 36 -0.102 -24.421 -24.421 245 HA ILE 36 HA ILE 36 -0.872 -23.300 -23.300 246 HB ILE 36 HB ILE 36 0.869 -25.584 -25.584 247 1HG1 ILE 36 HG12 ILE 36 -1.655 -25.325 -25.325 248 2HG1 ILE 36 HG11 ILE 36 -1.462 -26.138 -26.138 249 1HG2 ILE 36 HG23 ILE 36 1.218 -23.995 -23.995 250 2HG2 ILE 36 HG22 ILE 36 0.627 -25.585 -25.585 251 3HG2 ILE 36 HG21 ILE 36 2.099 -25.443 -25.443 252 1HD1 ILE 36 HD12 ILE 36 0.215 -27.672 -27.672 253 2HD1 ILE 36 HD11 ILE 36 -0.370 -26.986 -26.986 254 3HD1 ILE 36 HD13 ILE 36 -1.474 -27.876 -27.876 255 H PHE 37 HN PHE 37 0.399 -21.778 -21.778 256 HA PHE 37 HA PHE 37 2.816 -20.864 -20.864 257 1HB PHE 37 HB2 PHE 37 1.060 -19.744 -19.744 258 2HB PHE 37 HB1 PHE 37 2.548 -18.948 -18.948 259 HD1 PHE 37 HD1 PHE 37 -0.854 -19.961 -19.961 260 HD2 PHE 37 HD2 PHE 37 2.718 -17.868 -17.868 261 HE1 PHE 37 HE1 PHE 37 -2.062 -18.944 -18.944 262 HE2 PHE 37 HE2 PHE 37 1.511 -16.853 -16.853 263 HZ PHE 37 HZ PHE 37 -0.879 -17.391 -17.391 264 H LEU 38 HN LEU 38 4.869 -21.107 -21.107 265 HA LEU 38 HA LEU 38 5.108 -22.677 -22.677 266 1HB LEU 38 HB2 LEU 38 6.586 -22.266 -22.266 267 2HB LEU 38 HB1 LEU 38 7.624 -22.339 -22.339 268 HG LEU 38 HG LEU 38 7.269 -24.589 -24.589 269 1HD1 LEU 38 HD11 LEU 38 7.112 -23.866 -23.866 270 2HD1 LEU 38 HD13 LEU 38 5.623 -24.791 -24.791 271 3HD1 LEU 38 HD12 LEU 38 7.179 -25.535 -25.535 272 1HD2 LEU 38 HD22 LEU 38 5.035 -24.149 -24.149 273 2HD2 LEU 38 HD21 LEU 38 5.019 -25.586 -25.586 274 3HD2 LEU 38 HD23 LEU 38 4.350 -24.069 -24.069 275 H THR 39 HN THR 39 5.476 -21.522 -21.522 276 HA THR 39 HA THR 39 6.384 -18.715 -18.715 277 HB THR 39 HB THR 39 5.592 -18.612 -18.612 278 HG1 THR 39 HG1 THR 39 6.040 -20.183 -20.183 279 1HG2 THR 39 HG23 THR 39 4.013 -19.773 -19.773 280 2HG2 THR 39 HG22 THR 39 3.700 -20.735 -20.735 281 3HG2 THR 39 HG21 THR 39 3.438 -18.991 -18.991 282 H LYS 40 HN LYS 40 8.301 -17.957 -17.957 283 HA LYS 40 HA LYS 40 10.583 -19.709 -19.709 284 1HB LYS 40 HB2 LYS 40 10.168 -17.058 -17.058 285 2HB LYS 40 HB1 LYS 40 10.558 -17.149 -17.149 286 1HG LYS 40 HG2 LYS 40 12.682 -18.203 -18.203 287 2HG LYS 40 HG1 LYS 40 12.275 -18.371 -18.371 288 1HD LYS 40 HD2 LYS 40 12.376 -16.011 -16.011 289 2HD LYS 40 HD1 LYS 40 12.397 -15.682 -15.682 290 1HE LYS 40 HE2 LYS 40 14.590 -17.303 -17.303 291 2HE LYS 40 HE1 LYS 40 14.666 -15.533 -15.533 292 1HZ LYS 40 HZ2 LYS 40 13.931 -16.018 -16.018 293 2HZ LYS 40 HZ1 LYS 40 14.684 -17.512 -17.512 294 3HZ LYS 40 HZ3 LYS 40 15.571 -16.074 -16.074 295 H LYS 41 HN LYS 41 8.269 -18.772 -18.772 296 HA LYS 41 HA LYS 41 9.833 -19.472 -19.472 297 1HB LYS 41 HB2 LYS 41 7.850 -18.008 -18.008 298 2HB LYS 41 HB1 LYS 41 6.843 -19.356 -19.356 299 1HG LYS 41 HG2 LYS 41 7.113 -20.507 -20.507 300 2HG LYS 41 HG1 LYS 41 8.495 -19.516 -19.516 301 1HD LYS 41 HD2 LYS 41 6.906 -17.523 -17.523 302 2HD LYS 41 HD1 LYS 41 5.588 -18.684 -18.684 303 1HE LYS 41 HE2 LYS 41 7.194 -19.680 -19.680 304 2HE LYS 41 HE1 LYS 41 7.085 -17.931 -17.931 305 1HZ LYS 41 HZ2 LYS 41 4.621 -18.316 -18.316 306 2HZ LYS 41 HZ1 LYS 41 4.924 -19.922 -19.922 307 3HZ LYS 41 HZ3 LYS 41 5.108 -18.667 -18.667 308 H GLY 42 HN GLY 42 8.571 -21.380 -21.380 309 1HA GLY 42 HA2 GLY 42 8.820 -23.759 -23.759 310 2HA GLY 42 HA1 GLY 42 8.977 -23.819 -23.819 311 H ARG 43 HN ARG 43 6.479 -22.685 -22.685 312 HA ARG 43 HA ARG 43 4.522 -24.513 -24.513 313 1HB ARG 43 HB2 ARG 43 4.806 -22.010 -22.010 314 2HB ARG 43 HB1 ARG 43 3.700 -21.669 -21.669 315 1HG ARG 43 HG2 ARG 43 1.970 -22.543 -22.543 316 2HG ARG 43 HG1 ARG 43 2.854 -24.046 -24.046 317 1HD ARG 43 HD2 ARG 43 2.420 -23.145 -23.145 318 2HD ARG 43 HD1 ARG 43 4.122 -22.769 -22.769 319 HE ARG 43 HE ARG 43 3.313 -20.498 -20.498 320 1HH1 ARG 43 HH11 ARG 43 0.482 -22.017 -22.017 321 2HH1 ARG 43 HH12 ARG 43 -0.100 -20.932 -20.932 322 1HH2 ARG 43 HH21 ARG 43 2.934 -19.291 -19.291 323 2HH2 ARG 43 HH22 ARG 43 1.288 -19.389 -19.389 324 H GLN 44 HN GLN 44 2.266 -24.013 -24.013 325 HA GLN 44 HA GLN 44 2.775 -23.356 -23.356 326 1HB GLN 44 HB2 GLN 44 1.484 -25.934 -25.934 327 2HB GLN 44 HB1 GLN 44 1.958 -25.501 -25.501 328 1HG GLN 44 HG2 GLN 44 4.349 -25.297 -25.297 329 2HG GLN 44 HG1 GLN 44 3.747 -26.122 -26.122 330 1HE2 GLN 44 HE21 GLN 44 5.649 -27.067 -27.067 331 2HE2 GLN 44 HE22 GLN 44 4.970 -28.528 -28.528 332 H VAL 45 HN VAL 45 1.040 -22.299 -22.299 333 HA VAL 45 HA VAL 45 -1.513 -22.267 -22.267 334 HB VAL 45 HB VAL 45 -0.327 -20.286 -20.286 335 1HG1 VAL 45 HG11 VAL 45 -2.857 -20.359 -20.359 336 2HG1 VAL 45 HG13 VAL 45 -2.128 -18.817 -18.817 337 3HG1 VAL 45 HG12 VAL 45 -2.655 -19.943 -19.943 338 1HG2 VAL 45 HG21 VAL 45 0.219 -20.787 -20.787 339 2HG2 VAL 45 HG23 VAL 45 0.889 -19.530 -19.530 340 3HG2 VAL 45 HG22 VAL 45 -0.601 -19.232 -19.232 341 H CYS 46 HN CYS 46 -3.486 -21.884 -21.884 342 HA CYS 46 HA CYS 46 -3.110 -23.270 -23.270 343 1HB CYS 46 HB2 CYS 46 -4.989 -23.876 -23.876 344 2HB CYS 46 HB1 CYS 46 -5.344 -24.411 -24.411 345 H ALA 47 HN ALA 47 -3.798 -21.797 -21.797 346 HA ALA 47 HA ALA 47 -6.200 -20.126 -20.126 347 1HB ALA 47 HB2 ALA 47 -3.748 -19.182 -19.182 348 2HB ALA 47 HB1 ALA 47 -4.123 -19.361 -19.361 349 3HB ALA 47 HB3 ALA 47 -5.120 -18.321 -18.321 350 H LYS 48 HN LYS 48 -7.557 -19.589 -19.589 351 HA LYS 48 HA LYS 48 -8.224 -21.826 -21.826 352 1HB LYS 48 HB2 LYS 48 -8.965 -19.019 -19.019 353 2HB LYS 48 HB1 LYS 48 -9.188 -19.551 -19.551 354 1HG LYS 48 HG2 LYS 48 -11.102 -20.553 -20.553 355 2HG LYS 48 HG1 LYS 48 -10.131 -21.667 -21.667 356 1HD LYS 48 HD2 LYS 48 -10.368 -20.372 -20.372 357 2HD LYS 48 HD1 LYS 48 -10.852 -18.936 -18.936 358 1HE LYS 48 HE2 LYS 48 -12.855 -20.552 -20.552 359 2HE LYS 48 HE1 LYS 48 -12.485 -21.308 -21.308 360 1HZ LYS 48 HZ3 LYS 48 -12.409 -18.937 -18.937 361 2HZ LYS 48 HZ2 LYS 48 -13.186 -18.481 -18.481 362 3HZ LYS 48 HZ1 LYS 48 -13.944 -19.558 -19.558 363 HA PRO 49 HA PRO 49 -5.672 -21.456 -21.456 364 1HB PRO 49 HB2 PRO 49 -7.408 -21.511 -21.511 365 2HB PRO 49 HB1 PRO 49 -7.055 -22.934 -22.934 366 1HG PRO 49 HG2 PRO 49 -9.398 -21.096 -21.096 367 2HG PRO 49 HG1 PRO 49 -9.335 -22.849 -22.849 368 1HD PRO 49 HD2 PRO 49 -9.551 -21.055 -21.055 369 2HD PRO 49 HD1 PRO 49 -8.836 -22.672 -22.672 370 H SER 50 HN SER 50 -8.423 -19.204 -19.204 371 HA SER 50 HA SER 50 -6.615 -17.157 -17.157 372 1HB SER 50 HB2 SER 50 -9.529 -17.787 -17.787 373 2HB SER 50 HB1 SER 50 -8.682 -16.381 -16.381 374 HG SER 50 HG SER 50 -8.148 -19.119 -19.119 375 H GLY 51 HN GLY 51 -7.388 -17.686 -17.686 376 1HA GLY 51 HA2 GLY 51 -9.385 -15.947 -15.947 377 2HA GLY 51 HA1 GLY 51 -7.930 -16.365 -16.365 378 HA PRO 52 HA PRO 52 -7.889 -11.947 -11.947 379 1HB PRO 52 HB2 PRO 52 -9.081 -10.517 -10.517 380 2HB PRO 52 HB1 PRO 52 -9.969 -11.148 -11.148 381 1HG PRO 52 HG2 PRO 52 -9.749 -12.250 -12.250 382 2HG PRO 52 HG1 PRO 52 -11.162 -12.152 -12.152 383 1HD PRO 52 HD2 PRO 52 -9.735 -14.437 -14.437 384 2HD PRO 52 HD1 PRO 52 -10.579 -14.054 -14.054 385 H GLY 53 HN GLY 53 -5.642 -12.580 -12.580 386 1HA GLY 53 HA2 GLY 53 -4.074 -10.979 -10.979 387 2HA GLY 53 HA1 GLY 53 -4.828 -11.811 -11.811 388 H VAL 54 HN VAL 54 -4.990 -14.344 -14.344 389 HA VAL 54 HA VAL 54 -2.568 -15.576 -15.576 390 HB VAL 54 HB VAL 54 -4.689 -16.290 -16.290 391 1HG1 VAL 54 HG13 VAL 54 -2.401 -17.403 -17.403 392 2HG1 VAL 54 HG12 VAL 54 -2.669 -18.204 -18.204 393 3HG1 VAL 54 HG11 VAL 54 -3.779 -18.484 -18.484 394 1HG2 VAL 54 HG22 VAL 54 -4.137 -17.089 -17.089 395 2HG2 VAL 54 HG21 VAL 54 -5.539 -16.216 -16.216 396 3HG2 VAL 54 HG23 VAL 54 -5.309 -17.916 -17.916 397 H GLN 55 HN GLN 55 -3.548 -14.324 -14.324 398 HA GLN 55 HA GLN 55 -1.118 -15.127 -15.127 399 1HB GLN 55 HB2 GLN 55 -3.590 -13.696 -13.696 400 2HB GLN 55 HB1 GLN 55 -2.232 -12.830 -12.830 401 1HG GLN 55 HG2 GLN 55 -1.762 -15.552 -15.552 402 2HG GLN 55 HG1 GLN 55 -3.479 -15.297 -15.297 403 1HE2 GLN 55 HE21 GLN 55 -0.521 -15.163 -15.163 404 2HE2 GLN 55 HE22 GLN 55 -0.867 -14.006 -14.006 405 H ASP 56 HN ASP 56 -2.049 -12.430 -12.430 406 HA ASP 56 HA ASP 56 0.083 -10.623 -10.623 407 1HB ASP 56 HB2 ASP 56 -2.123 -10.247 -10.247 408 2HB ASP 56 HB1 ASP 56 -1.256 -10.884 -10.884 409 H CYS 57 HN CYS 57 -0.287 -13.180 -13.180 410 HA CYS 57 HA CYS 57 2.237 -12.777 -12.777 411 1HB CYS 57 HB2 CYS 57 0.420 -15.167 -15.167 412 2HB CYS 57 HB1 CYS 57 1.834 -15.221 -15.221 413 H MET 58 HN MET 58 1.250 -14.965 -14.965 414 HA MET 58 HA MET 58 3.920 -16.001 -16.001 415 1HB MET 58 HB2 MET 58 1.593 -15.883 -15.883 416 2HB MET 58 HB1 MET 58 2.888 -17.079 -17.079 417 1HG MET 58 HG2 MET 58 2.031 -17.506 -17.506 418 2HG MET 58 HG1 MET 58 0.556 -16.725 -16.725 419 1HE MET 58 HE1 MET 58 0.220 -17.014 -17.014 420 2HE MET 58 HE3 MET 58 0.938 -18.332 -18.332 421 3HE MET 58 HE2 MET 58 -0.705 -18.481 -18.481 422 H LYS 59 HN LYS 59 2.304 -13.078 -13.078 423 HA LYS 59 HA LYS 59 3.753 -12.514 -12.514 424 1HB LYS 59 HB2 LYS 59 1.653 -11.423 -11.423 425 2HB LYS 59 HB1 LYS 59 2.876 -10.395 -10.395 426 1HG LYS 59 HG2 LYS 59 2.696 -10.840 -10.840 427 2HG LYS 59 HG1 LYS 59 1.885 -9.506 -9.506 428 1HD LYS 59 HD2 LYS 59 4.237 -9.023 -9.023 429 2HD LYS 59 HD1 LYS 59 4.837 -10.022 -10.022 430 1HE LYS 59 HE2 LYS 59 4.289 -8.453 -8.453 431 2HE LYS 59 HE1 LYS 59 2.856 -7.903 -7.903 432 1HZ LYS 59 HZ2 LYS 59 4.393 -6.978 -6.978 433 2HZ LYS 59 HZ1 LYS 59 5.703 -7.367 -7.367 434 3HZ LYS 59 HZ3 LYS 59 4.554 -6.228 -6.228 435 H LYS 60 HN LYS 60 4.263 -11.542 -11.542 436 HA LYS 60 HA LYS 60 6.791 -10.224 -10.224 437 1HB LYS 60 HB2 LYS 60 5.537 -9.665 -9.665 438 2HB LYS 60 HB1 LYS 60 5.322 -11.359 -11.359 439 1HG LYS 60 HG2 LYS 60 7.003 -10.516 -10.516 440 2HG LYS 60 HG1 LYS 60 7.867 -11.465 -11.465 441 1HD LYS 60 HD2 LYS 60 8.811 -9.607 -9.607 442 2HD LYS 60 HD1 LYS 60 7.431 -8.576 -8.576 443 1HE LYS 60 HE2 LYS 60 8.793 -9.541 -9.541 444 2HE LYS 60 HE1 LYS 60 9.850 -8.571 -8.571 445 1HZ LYS 60 HZ3 LYS 60 7.088 -7.824 -7.824 446 2HZ LYS 60 HZ2 LYS 60 8.510 -7.177 -7.177 447 3HZ LYS 60 HZ1 LYS 60 8.128 -6.890 -6.890 448 H LEU 61 HN LEU 61 5.824 -13.547 -13.547 449 HA LEU 61 HA LEU 61 8.540 -14.476 -14.476 450 1HB LEU 61 HB2 LEU 61 5.893 -15.837 -15.837 451 2HB LEU 61 HB1 LEU 61 7.349 -16.695 -16.695 452 HG LEU 61 HG LEU 61 5.806 -14.601 -14.601 453 1HD1 LEU 61 HD11 LEU 61 6.212 -17.545 -17.545 454 2HD1 LEU 61 HD13 LEU 61 6.197 -16.683 -16.683 455 3HD1 LEU 61 HD12 LEU 61 4.808 -16.581 -16.581 456 1HD2 LEU 61 HD21 LEU 61 8.613 -15.628 -15.628 457 2HD2 LEU 61 HD23 LEU 61 7.999 -13.990 -13.990 458 3HD2 LEU 61 HD22 LEU 61 7.684 -15.218 -15.218 459 H LYS 62 HN LYS 62 7.132 -13.465 -13.465 460 HA LYS 62 HA LYS 62 8.691 -15.438 -15.438 461 1HB LYS 62 HB2 LYS 62 6.318 -15.698 -15.698 462 2HB LYS 62 HB1 LYS 62 6.093 -13.956 -13.956 463 1HG LYS 62 HG2 LYS 62 6.851 -13.915 -13.915 464 2HG LYS 62 HG1 LYS 62 8.036 -15.190 -15.190 465 1HD LYS 62 HD2 LYS 62 5.926 -16.727 -16.727 466 2HD LYS 62 HD1 LYS 62 5.105 -15.438 -15.438 467 1HE LYS 62 HE2 LYS 62 6.782 -15.620 -15.620 468 2HE LYS 62 HE1 LYS 62 7.579 -16.939 -16.939 469 1HZ LYS 62 HZ1 LYS 62 5.366 -18.060 -18.060 470 2HZ LYS 62 HZ3 LYS 62 4.776 -16.867 -16.867 471 3HZ LYS 62 HZ2 LYS 62 6.015 -17.910 -17.910 472 HA PRO 63 HA PRO 63 10.650 -11.368 -11.368 473 1HB PRO 63 HB2 PRO 63 13.147 -12.399 -12.399 474 2HB PRO 63 HB1 PRO 63 12.508 -12.064 -12.064 475 1HG PRO 63 HG2 PRO 63 12.710 -14.649 -14.649 476 2HG PRO 63 HG1 PRO 63 12.973 -14.304 -14.304 477 1HD PRO 63 HD2 PRO 63 10.689 -15.435 -15.435 478 2HD PRO 63 HD1 PRO 63 10.746 -14.480 -14.480 479 H TYR 64 HN TYR 64 10.594 -10.487 -10.487 480 HA TYR 64 HA TYR 64 11.770 -11.732 -11.732 481 1HB TYR 64 HB2 TYR 64 9.224 -12.669 -12.669 482 2HB TYR 64 HB1 TYR 64 8.947 -11.670 -11.670 483 HD1 TYR 64 HD1 TYR 64 10.739 -12.033 -12.033 484 HD2 TYR 64 HD2 TYR 64 9.798 -14.905 -14.905 485 HE1 TYR 64 HE1 TYR 64 11.613 -13.851 -13.851 486 HE2 TYR 64 HE2 TYR 64 10.672 -16.724 -16.724 487 HH TYR 64 HH TYR 64 11.645 -16.117 -16.117 488 H SER 65 HN SER 65 12.113 -9.188 -9.188 489 HA SER 65 HA SER 65 10.949 -7.573 -7.573 490 1HB SER 65 HB2 SER 65 9.741 -6.109 -6.109 491 2HB SER 65 HB1 SER 65 9.408 -7.694 -7.694 492 HG SER 65 HG SER 65 10.050 -6.536 -6.536 493 H ILE 66 HN ILE 66 11.769 -5.117 -5.117 494 HA ILE 66 HA ILE 66 14.531 -5.249 -5.249 495 HB ILE 66 HB ILE 66 15.214 -3.949 -3.949 496 1HG1 ILE 66 HG12 ILE 66 12.892 -5.223 -5.223 497 2HG1 ILE 66 HG11 ILE 66 12.573 -3.742 -3.742 498 1HG2 ILE 66 HG22 ILE 66 15.252 -6.604 -6.604 499 2HG2 ILE 66 HG21 ILE 66 14.290 -6.616 -6.616 500 3HG2 ILE 66 HG23 ILE 66 15.912 -5.923 -5.923 501 1HD1 ILE 66 HD12 ILE 66 15.014 -3.502 -3.502 502 2HD1 ILE 66 HD11 ILE 66 13.651 -3.932 -3.932 503 3HD1 ILE 66 HD13 ILE 66 13.574 -2.484 -2.484 Start of MODEL 10 1 1H HIS 1 HT2 HIS 1 11.922 -33.948 -33.948 2 2H HIS 1 HT1 HIS 1 12.532 -33.184 -33.184 3 3H HIS 1 HT3 HIS 1 13.513 -34.251 -34.251 4 HA HIS 1 HA HIS 1 12.647 -36.079 -36.079 5 1HB HIS 1 HB2 HIS 1 11.945 -33.704 -33.704 6 2HB HIS 1 HB1 HIS 1 11.653 -35.351 -35.351 7 HD1 HIS 1 HD1 HIS 1 13.854 -36.967 -36.967 8 HD2 HIS 1 HD2 HIS 1 14.566 -32.863 -32.863 9 HE1 HIS 1 HE1 HIS 1 16.294 -36.642 -36.642 10 H PHE 2 HN PHE 2 10.812 -37.426 -37.426 11 HA PHE 2 HA PHE 2 8.409 -36.548 -36.548 12 1HB PHE 2 HB2 PHE 2 9.712 -38.946 -38.946 13 2HB PHE 2 HB1 PHE 2 8.099 -38.992 -38.992 14 HD1 PHE 2 HD1 PHE 2 6.107 -38.409 -38.409 15 HD2 PHE 2 HD2 PHE 2 10.024 -39.429 -39.429 16 HE1 PHE 2 HE1 PHE 2 5.149 -38.956 -38.956 17 HE2 PHE 2 HE2 PHE 2 9.065 -39.974 -39.974 18 HZ PHE 2 HZ PHE 2 6.627 -39.738 -39.738 19 H ALA 3 HN ALA 3 6.383 -36.059 -36.059 20 HA ALA 3 HA ALA 3 5.655 -36.517 -36.517 21 1HB ALA 3 HB2 ALA 3 7.188 -34.069 -34.069 22 2HB ALA 3 HB1 ALA 3 5.838 -33.849 -33.849 23 3HB ALA 3 HB3 ALA 3 7.152 -34.950 -34.950 24 H ALA 4 HN ALA 4 3.620 -35.270 -35.270 25 HA ALA 4 HA ALA 4 2.236 -34.105 -34.105 26 1HB ALA 4 HB3 ALA 4 1.900 -36.636 -36.636 27 2HB ALA 4 HB2 ALA 4 1.008 -36.227 -36.227 28 3HB ALA 4 HB1 ALA 4 0.433 -35.660 -35.660 29 H ASP 5 HN ASP 5 0.922 -32.392 -32.392 30 HA ASP 5 HA ASP 5 -0.021 -32.161 -32.161 31 1HB ASP 5 HB2 ASP 5 1.714 -30.103 -30.103 32 2HB ASP 5 HB1 ASP 5 1.044 -29.950 -29.950 33 H CYS 6 HN CYS 6 -2.135 -32.365 -32.365 34 HA CYS 6 HA CYS 6 -2.914 -30.252 -30.252 35 1HB CYS 6 HB2 CYS 6 -4.633 -32.397 -32.397 36 2HB CYS 6 HB1 CYS 6 -4.871 -31.601 -31.601 37 H CYS 7 HN CYS 7 -4.826 -28.874 -28.874 38 HA CYS 7 HA CYS 7 -4.811 -27.991 -27.991 39 1HB CYS 7 HB2 CYS 7 -5.458 -26.924 -26.924 40 2HB CYS 7 HB1 CYS 7 -6.537 -26.376 -26.376 41 H THR 8 HN THR 8 -6.529 -28.246 -28.246 42 HA THR 8 HA THR 8 -8.971 -29.636 -29.636 43 HB THR 8 HB THR 8 -9.064 -30.704 -30.704 44 HG1 THR 8 HG1 THR 8 -6.793 -29.122 -29.122 45 1HG2 THR 8 HG22 THR 8 -7.299 -31.363 -31.363 46 2HG2 THR 8 HG21 THR 8 -6.139 -30.813 -30.813 47 3HG2 THR 8 HG23 THR 8 -7.248 -32.129 -32.129 48 H SER 9 HN SER 9 -7.849 -26.708 -26.708 49 HA SER 9 HA SER 9 -10.460 -25.552 -25.552 50 1HB SER 9 HB2 SER 9 -10.291 -25.133 -25.133 51 2HB SER 9 HB1 SER 9 -10.177 -26.866 -26.866 52 HG SER 9 HG SER 9 -8.524 -25.590 -25.590 53 H TYR 10 HN TYR 10 -10.203 -23.371 -23.371 54 HA TYR 10 HA TYR 10 -7.444 -22.352 -22.352 55 1HB TYR 10 HB2 TYR 10 -10.156 -21.162 -21.162 56 2HB TYR 10 HB1 TYR 10 -8.596 -20.548 -20.548 57 HD1 TYR 10 HD1 TYR 10 -7.032 -22.428 -22.428 58 HD2 TYR 10 HD2 TYR 10 -11.318 -22.591 -22.591 59 HE1 TYR 10 HE1 TYR 10 -7.072 -24.044 -24.044 60 HE2 TYR 10 HE2 TYR 10 -11.360 -24.201 -24.201 61 HH TYR 10 HH TYR 10 -10.123 -25.110 -25.110 62 H ILE 11 HN ILE 11 -6.852 -20.242 -20.242 63 HA ILE 11 HA ILE 11 -7.198 -19.933 -19.933 64 HB ILE 11 HB ILE 11 -6.130 -17.815 -17.815 65 1HG1 ILE 11 HG12 ILE 11 -7.873 -16.964 -16.964 66 2HG1 ILE 11 HG11 ILE 11 -6.220 -16.562 -16.562 67 1HG2 ILE 11 HG23 ILE 11 -4.992 -19.978 -19.978 68 2HG2 ILE 11 HG22 ILE 11 -5.268 -19.236 -19.236 69 3HG2 ILE 11 HG21 ILE 11 -4.288 -18.404 -18.404 70 1HD1 ILE 11 HD13 ILE 11 -6.281 -18.725 -18.725 71 2HD1 ILE 11 HD12 ILE 11 -8.028 -18.688 -18.688 72 3HD1 ILE 11 HD11 ILE 11 -7.226 -17.360 -17.360 73 H SER 12 HN SER 12 -8.225 -17.820 -17.820 74 HA SER 12 HA SER 12 -11.055 -17.710 -17.710 75 1HB SER 12 HB2 SER 12 -10.882 -16.504 -16.504 76 2HB SER 12 HB1 SER 12 -11.268 -18.201 -18.201 77 HG SER 12 HG SER 12 -8.719 -17.064 -17.064 78 H GLN 13 HN GLN 13 -8.300 -15.980 -15.980 79 HA GLN 13 HA GLN 13 -9.788 -13.504 -13.504 80 1HB GLN 13 HB2 GLN 13 -8.378 -12.157 -12.157 81 2HB GLN 13 HB1 GLN 13 -9.262 -13.388 -13.388 82 1HG GLN 13 HG2 GLN 13 -7.296 -14.834 -14.834 83 2HG GLN 13 HG1 GLN 13 -6.408 -13.691 -13.691 84 1HE2 GLN 13 HE21 GLN 13 -4.916 -13.823 -13.823 85 2HE2 GLN 13 HE22 GLN 13 -5.245 -12.715 -12.715 86 H SER 14 HN SER 14 -7.927 -11.766 -11.766 87 HA SER 14 HA SER 14 -6.699 -12.592 -12.592 88 1HB SER 14 HB2 SER 14 -5.372 -10.535 -10.535 89 2HB SER 14 HB1 SER 14 -7.029 -10.265 -10.265 90 HG SER 14 HG SER 14 -5.411 -9.485 -9.485 91 H ILE 15 HN ILE 15 -4.741 -13.582 -13.582 92 HA ILE 15 HA ILE 15 -3.371 -15.128 -15.128 93 HB ILE 15 HB ILE 15 -2.896 -14.491 -14.491 94 1HG1 ILE 15 HG12 ILE 15 -4.865 -15.934 -15.934 95 2HG1 ILE 15 HG11 ILE 15 -3.809 -16.646 -16.646 96 1HG2 ILE 15 HG21 ILE 15 -0.761 -14.995 -14.995 97 2HG2 ILE 15 HG23 ILE 15 -1.438 -16.582 -16.582 98 3HG2 ILE 15 HG22 ILE 15 -1.121 -16.110 -16.110 99 1HD1 ILE 15 HD11 ILE 15 -2.552 -17.811 -17.811 100 2HD1 ILE 15 HD13 ILE 15 -3.665 -17.139 -17.139 101 3HD1 ILE 15 HD12 ILE 15 -4.254 -18.277 -18.277 102 HA PRO 16 HA PRO 16 -0.402 -11.984 -11.984 103 1HB PRO 16 HB2 PRO 16 1.176 -13.550 -13.550 104 2HB PRO 16 HB1 PRO 16 -0.407 -12.951 -12.951 105 1HG PRO 16 HG2 PRO 16 0.381 -15.642 -15.642 106 2HG PRO 16 HG1 PRO 16 -0.815 -15.191 -15.191 107 1HD PRO 16 HD2 PRO 16 -1.383 -15.934 -15.934 108 2HD PRO 16 HD1 PRO 16 -2.476 -15.028 -15.028 109 H CYS 17 HN CYS 17 0.514 -11.856 -11.856 110 HA CYS 17 HA CYS 17 2.347 -13.751 -13.751 111 1HB CYS 17 HB2 CYS 17 2.278 -10.729 -10.729 112 2HB CYS 17 HB1 CYS 17 2.961 -11.879 -11.879 113 H SER 18 HN SER 18 2.751 -11.097 -11.097 114 HA SER 18 HA SER 18 5.644 -11.051 -11.051 115 1HB SER 18 HB2 SER 18 3.488 -9.657 -9.657 116 2HB SER 18 HB1 SER 18 4.445 -10.263 -10.263 117 HG SER 18 HG SER 18 5.798 -9.138 -9.138 118 H LEU 19 HN LEU 19 3.323 -13.122 -13.122 119 HA LEU 19 HA LEU 19 5.212 -14.221 -14.221 120 1HB LEU 19 HB2 LEU 19 2.746 -13.664 -13.664 121 2HB LEU 19 HB1 LEU 19 2.372 -15.047 -15.047 122 HG LEU 19 HG LEU 19 3.961 -16.365 -16.365 123 1HD1 LEU 19 HD11 LEU 19 3.772 -13.721 -13.721 124 2HD1 LEU 19 HD13 LEU 19 3.446 -15.076 -15.076 125 3HD1 LEU 19 HD12 LEU 19 4.977 -14.991 -14.991 126 1HD2 LEU 19 HD21 LEU 19 1.174 -15.404 -15.404 127 2HD2 LEU 19 HD23 LEU 19 1.747 -17.032 -17.032 128 3HD2 LEU 19 HD22 LEU 19 1.974 -16.357 -16.357 129 H MET 20 HN MET 20 5.367 -14.615 -14.615 130 HA MET 20 HA MET 20 5.704 -17.581 -17.581 131 1HB MET 20 HB2 MET 20 4.527 -16.309 -16.309 132 2HB MET 20 HB1 MET 20 4.382 -17.971 -17.971 133 1HG MET 20 HG2 MET 20 3.177 -15.728 -15.728 134 2HG MET 20 HG1 MET 20 2.327 -16.379 -16.379 135 1HE MET 20 HE3 MET 20 0.559 -16.695 -16.695 136 2HE MET 20 HE2 MET 20 0.283 -18.416 -18.416 137 3HE MET 20 HE1 MET 20 0.245 -17.765 -17.765 138 H LYS 21 HN LYS 21 7.570 -18.245 -18.245 139 HA LYS 21 HA LYS 21 9.248 -16.206 -16.206 140 1HB LYS 21 HB2 LYS 21 10.965 -18.060 -18.060 141 2HB LYS 21 HB1 LYS 21 10.266 -17.484 -17.484 142 1HG LYS 21 HG2 LYS 21 9.232 -19.466 -19.466 143 2HG LYS 21 HG1 LYS 21 8.757 -19.675 -19.675 144 1HD LYS 21 HD2 LYS 21 11.642 -19.871 -19.871 145 2HD LYS 21 HD1 LYS 21 10.809 -21.041 -21.041 146 1HE LYS 21 HE2 LYS 21 10.588 -22.324 -22.324 147 2HE LYS 21 HE1 LYS 21 9.423 -21.118 -21.118 148 1HZ LYS 21 HZ1 LYS 21 12.374 -20.862 -20.862 149 2HZ LYS 21 HZ3 LYS 21 11.363 -21.451 -21.451 150 3HZ LYS 21 HZ2 LYS 21 11.191 -19.851 -19.851 151 H SER 22 HN SER 22 7.331 -19.049 -19.049 152 HA SER 22 HA SER 22 7.913 -18.693 -18.693 153 1HB SER 22 HB2 SER 22 9.558 -20.311 -20.311 154 2HB SER 22 HB1 SER 22 8.185 -21.416 -21.416 155 HG SER 22 HG SER 22 8.299 -21.704 -21.704 156 H TYR 23 HN TYR 23 6.525 -20.499 -20.499 157 HA TYR 23 HA TYR 23 4.032 -21.184 -21.184 158 1HB TYR 23 HB2 TYR 23 2.648 -19.862 -19.862 159 2HB TYR 23 HB1 TYR 23 3.985 -18.802 -18.802 160 HD1 TYR 23 HD1 TYR 23 2.799 -21.149 -21.149 161 HD2 TYR 23 HD2 TYR 23 5.390 -17.872 -17.872 162 HE1 TYR 23 HE1 TYR 23 3.366 -20.873 -20.873 163 HE2 TYR 23 HE2 TYR 23 5.959 -17.595 -17.595 164 HH TYR 23 HH TYR 23 4.314 -18.553 -18.553 165 H PHE 24 HN PHE 24 2.837 -22.884 -22.884 166 HA PHE 24 HA PHE 24 3.945 -23.853 -23.853 167 1HB PHE 24 HB2 PHE 24 4.650 -25.933 -25.933 168 2HB PHE 24 HB1 PHE 24 5.175 -24.787 -24.787 169 HD1 PHE 24 HD1 PHE 24 2.334 -27.061 -27.061 170 HD2 PHE 24 HD2 PHE 24 4.466 -25.024 -25.024 171 HE1 PHE 24 HE1 PHE 24 0.999 -28.273 -28.273 172 HE2 PHE 24 HE2 PHE 24 3.130 -26.241 -26.241 173 HZ PHE 24 HZ PHE 24 1.396 -27.864 -27.864 174 H GLU 25 HN GLU 25 2.414 -25.008 -25.008 175 HA GLU 25 HA GLU 25 -0.365 -24.898 -24.898 176 1HB GLU 25 HB2 GLU 25 0.878 -25.661 -25.661 177 2HB GLU 25 HB1 GLU 25 -0.851 -25.455 -25.455 178 1HG GLU 25 HG2 GLU 25 -0.629 -23.134 -23.134 179 2HG GLU 25 HG1 GLU 25 1.109 -23.257 -23.257 180 H THR 26 HN THR 26 -1.572 -26.724 -26.724 181 HA THR 26 HA THR 26 -0.203 -29.211 -29.211 182 HB THR 26 HB THR 26 -2.426 -29.901 -29.901 183 HG1 THR 26 HG1 THR 26 -3.188 -27.775 -27.775 184 1HG2 THR 26 HG23 THR 26 -1.148 -27.486 -27.486 185 2HG2 THR 26 HG22 THR 26 -2.887 -27.198 -27.198 186 3HG2 THR 26 HG21 THR 26 -2.193 -28.524 -28.524 187 H SER 27 HN SER 27 -1.163 -31.338 -31.338 188 HA SER 27 HA SER 27 -0.954 -31.278 -31.278 189 1HB SER 27 HB2 SER 27 -1.618 -33.482 -33.482 190 2HB SER 27 HB1 SER 27 -1.152 -33.728 -33.728 191 HG SER 27 HG SER 27 0.698 -33.918 -33.918 192 H SER 28 HN SER 28 -2.634 -31.715 -31.715 193 HA SER 28 HA SER 28 -5.311 -30.952 -30.952 194 1HB SER 28 HB2 SER 28 -4.484 -32.521 -32.521 195 2HB SER 28 HB1 SER 28 -5.747 -31.298 -31.298 196 HG SER 28 HG SER 28 -4.278 -29.939 -29.939 197 H GLU 29 HN GLU 29 -3.624 -33.833 -33.833 198 HA GLU 29 HA GLU 29 -5.755 -35.756 -35.756 199 1HB GLU 29 HB2 GLU 29 -3.008 -35.724 -35.724 200 2HB GLU 29 HB1 GLU 29 -3.707 -36.469 -36.469 201 1HG GLU 29 HG2 GLU 29 -4.769 -38.177 -38.177 202 2HG GLU 29 HG1 GLU 29 -4.472 -37.321 -37.321 203 H CYS 30 HN CYS 30 -4.932 -33.570 -33.570 204 HA CYS 30 HA CYS 30 -6.176 -34.989 -34.989 205 1HB CYS 30 HB2 CYS 30 -5.780 -32.012 -32.012 206 2HB CYS 30 HB1 CYS 30 -5.839 -32.886 -32.886 207 H SER 31 HN SER 31 -8.312 -34.807 -34.807 208 HA SER 31 HA SER 31 -10.422 -34.270 -34.270 209 1HB SER 31 HB2 SER 31 -10.064 -34.799 -34.799 210 2HB SER 31 HB1 SER 31 -11.608 -34.091 -34.091 211 HG SER 31 HG SER 31 -10.660 -36.605 -36.605 212 H LYS 32 HN LYS 32 -8.472 -32.141 -32.141 213 HA LYS 32 HA LYS 32 -10.127 -29.833 -29.833 214 1HB LYS 32 HB2 LYS 32 -10.265 -30.972 -30.972 215 2HB LYS 32 HB1 LYS 32 -9.284 -29.518 -29.518 216 1HG LYS 32 HG2 LYS 32 -11.017 -28.166 -28.166 217 2HG LYS 32 HG1 LYS 32 -11.979 -29.608 -29.608 218 1HD LYS 32 HD2 LYS 32 -11.184 -28.690 -28.690 219 2HD LYS 32 HD1 LYS 32 -12.742 -28.340 -28.340 220 1HE LYS 32 HE2 LYS 32 -13.049 -30.847 -30.847 221 2HE LYS 32 HE1 LYS 32 -11.612 -31.065 -31.065 222 1HZ LYS 32 HZ2 LYS 32 -13.978 -29.423 -29.423 223 2HZ LYS 32 HZ1 LYS 32 -13.724 -31.018 -31.018 224 3HZ LYS 32 HZ3 LYS 32 -12.643 -29.793 -29.793 225 HA PRO 33 HA PRO 33 -5.711 -28.972 -28.972 226 1HB PRO 33 HB2 PRO 33 -6.089 -27.173 -27.173 227 2HB PRO 33 HB1 PRO 33 -6.054 -28.927 -28.927 228 1HG PRO 33 HG2 PRO 33 -8.382 -27.077 -27.077 229 2HG PRO 33 HG1 PRO 33 -8.139 -28.477 -28.477 230 1HD PRO 33 HD2 PRO 33 -9.676 -28.517 -28.517 231 2HD PRO 33 HD1 PRO 33 -8.880 -29.951 -29.951 232 H GLY 34 HN GLY 34 -4.741 -26.534 -26.534 233 1HA GLY 34 HA2 GLY 34 -5.797 -24.164 -24.164 234 2HA GLY 34 HA1 GLY 34 -5.691 -24.989 -24.989 235 H VAL 35 HN VAL 35 -4.191 -22.674 -22.674 236 HA VAL 35 HA VAL 35 -1.421 -23.620 -23.620 237 HB VAL 35 HB VAL 35 -2.795 -20.935 -20.935 238 1HG1 VAL 35 HG11 VAL 35 -0.515 -20.888 -20.888 239 2HG1 VAL 35 HG13 VAL 35 0.159 -21.424 -21.424 240 3HG1 VAL 35 HG12 VAL 35 -0.650 -19.861 -19.861 241 1HG2 VAL 35 HG23 VAL 35 -2.579 -22.631 -22.631 242 2HG2 VAL 35 HG22 VAL 35 -2.670 -20.877 -20.877 243 3HG2 VAL 35 HG21 VAL 35 -1.102 -21.686 -21.686 244 H ILE 36 HN ILE 36 -0.230 -24.217 -24.217 245 HA ILE 36 HA ILE 36 -0.998 -23.134 -23.134 246 HB ILE 36 HB ILE 36 0.509 -25.532 -25.532 247 1HG1 ILE 36 HG12 ILE 36 -1.916 -25.043 -25.043 248 2HG1 ILE 36 HG11 ILE 36 -1.832 -25.904 -25.904 249 1HG2 ILE 36 HG22 ILE 36 1.830 -24.509 -24.509 250 2HG2 ILE 36 HG21 ILE 36 0.403 -24.628 -24.628 251 3HG2 ILE 36 HG23 ILE 36 1.173 -26.091 -26.091 252 1HD1 ILE 36 HD11 ILE 36 -0.489 -26.810 -26.810 253 2HD1 ILE 36 HD13 ILE 36 -2.011 -27.453 -27.453 254 3HD1 ILE 36 HD12 ILE 36 -0.518 -27.689 -27.689 255 H PHE 37 HN PHE 37 0.287 -21.567 -21.567 256 HA PHE 37 HA PHE 37 2.845 -20.891 -20.891 257 1HB PHE 37 HB2 PHE 37 1.100 -19.624 -19.624 258 2HB PHE 37 HB1 PHE 37 2.654 -18.943 -18.943 259 HD1 PHE 37 HD1 PHE 37 -0.788 -19.690 -19.690 260 HD2 PHE 37 HD2 PHE 37 2.971 -17.920 -17.920 261 HE1 PHE 37 HE1 PHE 37 -1.865 -18.602 -18.602 262 HE2 PHE 37 HE2 PHE 37 1.897 -16.835 -16.835 263 HZ PHE 37 HZ PHE 37 -0.520 -17.176 -17.176 264 H LEU 38 HN LEU 38 4.838 -21.267 -21.267 265 HA LEU 38 HA LEU 38 4.854 -22.797 -22.797 266 1HB LEU 38 HB2 LEU 38 6.031 -23.330 -23.330 267 2HB LEU 38 HB1 LEU 38 7.253 -22.210 -22.210 268 HG LEU 38 HG LEU 38 7.398 -23.565 -23.565 269 1HD1 LEU 38 HD13 LEU 38 5.431 -25.282 -25.282 270 2HD1 LEU 38 HD12 LEU 38 6.398 -25.911 -25.911 271 3HD1 LEU 38 HD11 LEU 38 5.248 -24.604 -24.604 272 1HD2 LEU 38 HD21 LEU 38 8.643 -23.995 -23.995 273 2HD2 LEU 38 HD23 LEU 38 8.945 -24.988 -24.988 274 3HD2 LEU 38 HD22 LEU 38 7.832 -25.552 -25.552 275 H THR 39 HN THR 39 5.317 -21.683 -21.683 276 HA THR 39 HA THR 39 6.368 -18.928 -18.928 277 HB THR 39 HB THR 39 5.577 -18.764 -18.764 278 HG1 THR 39 HG1 THR 39 6.013 -20.336 -20.336 279 1HG2 THR 39 HG22 THR 39 3.920 -19.624 -19.624 280 2HG2 THR 39 HG21 THR 39 3.651 -20.874 -20.874 281 3HG2 THR 39 HG23 THR 39 3.368 -19.180 -19.180 282 H LYS 40 HN LYS 40 8.305 -18.255 -18.255 283 HA LYS 40 HA LYS 40 10.517 -20.084 -20.084 284 1HB LYS 40 HB2 LYS 40 10.736 -17.699 -17.699 285 2HB LYS 40 HB1 LYS 40 10.096 -17.312 -17.312 286 1HG LYS 40 HG2 LYS 40 12.389 -17.136 -17.136 287 2HG LYS 40 HG1 LYS 40 12.096 -18.814 -18.814 288 1HD LYS 40 HD2 LYS 40 12.995 -19.647 -19.647 289 2HD LYS 40 HD1 LYS 40 12.811 -18.102 -18.102 290 1HE LYS 40 HE2 LYS 40 14.712 -18.550 -18.550 291 2HE LYS 40 HE1 LYS 40 15.197 -18.590 -18.590 292 1HZ LYS 40 HZ1 LYS 40 13.872 -16.363 -16.363 293 2HZ LYS 40 HZ3 LYS 40 14.187 -16.332 -16.332 294 3HZ LYS 40 HZ2 LYS 40 15.477 -16.372 -16.372 295 H LYS 41 HN LYS 41 8.340 -18.962 -18.962 296 HA LYS 41 HA LYS 41 9.926 -19.839 -19.839 297 1HB LYS 41 HB2 LYS 41 7.550 -18.450 -18.450 298 2HB LYS 41 HB1 LYS 41 7.037 -19.885 -19.885 299 1HG LYS 41 HG2 LYS 41 7.723 -18.882 -18.882 300 2HG LYS 41 HG1 LYS 41 9.376 -18.967 -18.967 301 1HD LYS 41 HD2 LYS 41 9.428 -16.751 -16.751 302 2HD LYS 41 HD1 LYS 41 7.841 -16.796 -16.796 303 1HE LYS 41 HE2 LYS 41 6.712 -16.376 -16.376 304 2HE LYS 41 HE1 LYS 41 8.037 -17.017 -17.017 305 1HZ LYS 41 HZ2 LYS 41 9.298 -15.082 -15.082 306 2HZ LYS 41 HZ1 LYS 41 7.744 -14.396 -14.396 307 3HZ LYS 41 HZ3 LYS 41 8.542 -14.827 -14.827 308 H GLY 42 HN GLY 42 8.352 -21.589 -21.589 309 1HA GLY 42 HA2 GLY 42 8.384 -23.993 -23.993 310 2HA GLY 42 HA1 GLY 42 8.536 -24.061 -24.061 311 H ARG 43 HN ARG 43 6.201 -22.838 -22.838 312 HA ARG 43 HA ARG 43 4.032 -24.307 -24.307 313 1HB ARG 43 HB2 ARG 43 4.650 -21.632 -21.632 314 2HB ARG 43 HB1 ARG 43 3.293 -21.546 -21.546 315 1HG ARG 43 HG2 ARG 43 1.849 -22.651 -22.651 316 2HG ARG 43 HG1 ARG 43 3.161 -23.480 -23.480 317 1HD ARG 43 HD2 ARG 43 2.942 -20.475 -20.475 318 2HD ARG 43 HD1 ARG 43 1.974 -21.501 -21.501 319 HE ARG 43 HE ARG 43 4.964 -21.697 -21.697 320 1HH1 ARG 43 HH11 ARG 43 3.486 -20.142 -20.142 321 2HH1 ARG 43 HH12 ARG 43 3.539 -21.300 -21.300 322 1HH2 ARG 43 HH21 ARG 43 4.392 -23.952 -23.952 323 2HH2 ARG 43 HH22 ARG 43 4.052 -23.457 -23.457 324 H GLN 44 HN GLN 44 1.883 -23.828 -23.828 325 HA GLN 44 HA GLN 44 2.445 -23.310 -23.310 326 1HB GLN 44 HB2 GLN 44 1.279 -25.468 -25.468 327 2HB GLN 44 HB1 GLN 44 2.809 -25.694 -25.694 328 1HG GLN 44 HG2 GLN 44 1.307 -25.626 -25.626 329 2HG GLN 44 HG1 GLN 44 0.005 -26.027 -26.027 330 1HE2 GLN 44 HE21 GLN 44 0.528 -27.995 -27.995 331 2HE2 GLN 44 HE22 GLN 44 1.390 -29.277 -29.277 332 H VAL 45 HN VAL 45 0.769 -22.196 -22.196 333 HA VAL 45 HA VAL 45 -1.818 -22.062 -22.062 334 HB VAL 45 HB VAL 45 -0.283 -20.144 -20.144 335 1HG1 VAL 45 HG11 VAL 45 -3.178 -20.317 -20.317 336 2HG1 VAL 45 HG13 VAL 45 -2.470 -18.740 -18.740 337 3HG1 VAL 45 HG12 VAL 45 -2.317 -19.444 -19.444 338 1HG2 VAL 45 HG22 VAL 45 -0.690 -20.531 -20.531 339 2HG2 VAL 45 HG21 VAL 45 0.442 -19.461 -19.461 340 3HG2 VAL 45 HG23 VAL 45 -1.205 -18.920 -18.920 341 H CYS 46 HN CYS 46 -3.785 -22.092 -22.092 342 HA CYS 46 HA CYS 46 -3.354 -23.446 -23.446 343 1HB CYS 46 HB2 CYS 46 -5.108 -23.816 -23.816 344 2HB CYS 46 HB1 CYS 46 -6.010 -23.758 -23.758 345 H ALA 47 HN ALA 47 -4.151 -22.421 -22.421 346 HA ALA 47 HA ALA 47 -6.006 -20.109 -20.109 347 1HB ALA 47 HB1 ALA 47 -3.321 -20.287 -20.287 348 2HB ALA 47 HB3 ALA 47 -4.507 -19.270 -19.270 349 3HB ALA 47 HB2 ALA 47 -4.073 -18.943 -18.943 350 H LYS 48 HN LYS 48 -7.341 -19.612 -19.612 351 HA LYS 48 HA LYS 48 -8.270 -21.940 -21.940 352 1HB LYS 48 HB2 LYS 48 -8.996 -19.180 -19.180 353 2HB LYS 48 HB1 LYS 48 -9.266 -19.569 -19.569 354 1HG LYS 48 HG2 LYS 48 -10.968 -21.005 -21.005 355 2HG LYS 48 HG1 LYS 48 -10.136 -21.666 -21.666 356 1HD LYS 48 HD2 LYS 48 -11.295 -20.323 -20.323 357 2HD LYS 48 HD1 LYS 48 -10.877 -18.895 -18.895 358 1HE LYS 48 HE2 LYS 48 -12.994 -18.820 -18.820 359 2HE LYS 48 HE1 LYS 48 -12.791 -20.443 -20.443 360 1HZ LYS 48 HZ3 LYS 48 -13.082 -21.229 -21.229 361 2HZ LYS 48 HZ2 LYS 48 -13.711 -19.683 -19.683 362 3HZ LYS 48 HZ1 LYS 48 -14.474 -20.702 -20.702 363 HA PRO 49 HA PRO 49 -6.110 -21.573 -21.573 364 1HB PRO 49 HB2 PRO 49 -8.036 -21.342 -21.342 365 2HB PRO 49 HB1 PRO 49 -7.710 -22.855 -22.855 366 1HG PRO 49 HG2 PRO 49 -9.861 -20.834 -20.834 367 2HG PRO 49 HG1 PRO 49 -9.947 -22.600 -22.600 368 1HD PRO 49 HD2 PRO 49 -9.814 -21.033 -21.033 369 2HD PRO 49 HD1 PRO 49 -9.167 -22.686 -22.686 370 H SER 50 HN SER 50 -8.611 -19.107 -19.107 371 HA SER 50 HA SER 50 -6.753 -17.097 -17.097 372 1HB SER 50 HB2 SER 50 -9.696 -16.873 -16.873 373 2HB SER 50 HB1 SER 50 -8.360 -16.400 -16.400 374 HG SER 50 HG SER 50 -9.689 -18.384 -18.384 375 H GLY 51 HN GLY 51 -7.208 -17.633 -17.633 376 1HA GLY 51 HA2 GLY 51 -9.206 -16.050 -16.050 377 2HA GLY 51 HA1 GLY 51 -7.654 -16.436 -16.436 378 HA PRO 52 HA PRO 52 -7.969 -11.952 -11.952 379 1HB PRO 52 HB2 PRO 52 -9.112 -10.662 -10.662 380 2HB PRO 52 HB1 PRO 52 -10.048 -11.289 -11.289 381 1HG PRO 52 HG2 PRO 52 -9.619 -12.466 -12.466 382 2HG PRO 52 HG1 PRO 52 -11.087 -12.420 -12.420 383 1HD PRO 52 HD2 PRO 52 -9.501 -14.622 -14.622 384 2HD PRO 52 HD1 PRO 52 -10.470 -14.261 -14.261 385 H GLY 53 HN GLY 53 -5.661 -12.511 -12.511 386 1HA GLY 53 HA2 GLY 53 -4.053 -10.916 -10.916 387 2HA GLY 53 HA1 GLY 53 -4.747 -11.716 -11.716 388 H VAL 54 HN VAL 54 -4.960 -14.265 -14.265 389 HA VAL 54 HA VAL 54 -2.556 -15.533 -15.533 390 HB VAL 54 HB VAL 54 -4.703 -16.153 -16.153 391 1HG1 VAL 54 HG11 VAL 54 -2.096 -17.370 -17.370 392 2HG1 VAL 54 HG13 VAL 54 -3.343 -18.532 -18.532 393 3HG1 VAL 54 HG12 VAL 54 -3.396 -17.756 -17.756 394 1HG2 VAL 54 HG21 VAL 54 -5.221 -16.152 -16.152 395 2HG2 VAL 54 HG23 VAL 54 -5.467 -17.716 -17.716 396 3HG2 VAL 54 HG22 VAL 54 -4.026 -17.434 -17.434 397 H GLN 55 HN GLN 55 -3.490 -14.186 -14.186 398 HA GLN 55 HA GLN 55 -1.062 -14.974 -14.974 399 1HB GLN 55 HB2 GLN 55 -3.530 -13.670 -13.670 400 2HB GLN 55 HB1 GLN 55 -2.258 -12.549 -12.549 401 1HG GLN 55 HG2 GLN 55 -2.638 -13.902 -13.902 402 2HG GLN 55 HG1 GLN 55 -1.173 -14.558 -14.558 403 1HE2 GLN 55 HE21 GLN 55 -1.475 -16.760 -16.760 404 2HE2 GLN 55 HE22 GLN 55 -2.766 -17.718 -17.718 405 H ASP 56 HN ASP 56 -1.932 -12.412 -12.412 406 HA ASP 56 HA ASP 56 0.196 -10.566 -10.566 407 1HB ASP 56 HB2 ASP 56 -2.017 -10.284 -10.284 408 2HB ASP 56 HB1 ASP 56 -1.089 -10.927 -10.927 409 H CYS 57 HN CYS 57 -0.177 -13.204 -13.204 410 HA CYS 57 HA CYS 57 2.387 -12.874 -12.874 411 1HB CYS 57 HB2 CYS 57 0.544 -15.249 -15.249 412 2HB CYS 57 HB1 CYS 57 1.937 -15.272 -15.272 413 H MET 58 HN MET 58 1.269 -14.891 -14.891 414 HA MET 58 HA MET 58 3.853 -16.100 -16.100 415 1HB MET 58 HB2 MET 58 1.517 -15.669 -15.669 416 2HB MET 58 HB1 MET 58 2.753 -16.921 -16.921 417 1HG MET 58 HG2 MET 58 1.840 -18.159 -18.159 418 2HG MET 58 HG1 MET 58 1.162 -16.742 -16.742 419 1HE MET 58 HE3 MET 58 1.130 -19.434 -19.434 420 2HE MET 58 HE2 MET 58 -0.569 -19.811 -19.811 421 3HE MET 58 HE1 MET 58 0.315 -18.862 -18.862 422 H LYS 59 HN LYS 59 2.358 -13.066 -13.066 423 HA LYS 59 HA LYS 59 3.935 -12.449 -12.449 424 1HB LYS 59 HB2 LYS 59 1.910 -11.303 -11.303 425 2HB LYS 59 HB1 LYS 59 3.239 -10.144 -10.144 426 1HG LYS 59 HG2 LYS 59 2.994 -9.698 -9.698 427 2HG LYS 59 HG1 LYS 59 2.597 -11.372 -11.372 428 1HD LYS 59 HD2 LYS 59 0.330 -11.091 -11.091 429 2HD LYS 59 HD1 LYS 59 0.697 -9.502 -9.502 430 1HE LYS 59 HE2 LYS 59 0.086 -8.607 -8.607 431 2HE LYS 59 HE1 LYS 59 1.485 -9.414 -9.414 432 1HZ LYS 59 HZ1 LYS 59 -0.150 -11.477 -11.477 433 2HZ LYS 59 HZ3 LYS 59 -1.311 -10.255 -10.255 434 3HZ LYS 59 HZ2 LYS 59 -0.143 -10.511 -10.511 435 H LYS 60 HN LYS 60 4.315 -11.619 -11.619 436 HA LYS 60 HA LYS 60 6.861 -10.296 -10.296 437 1HB LYS 60 HB2 LYS 60 4.929 -10.840 -10.840 438 2HB LYS 60 HB1 LYS 60 6.447 -11.518 -11.518 439 1HG LYS 60 HG2 LYS 60 6.156 -9.129 -9.129 440 2HG LYS 60 HG1 LYS 60 7.579 -9.382 -9.382 441 1HD LYS 60 HD2 LYS 60 6.701 -8.212 -8.212 442 2HD LYS 60 HD1 LYS 60 5.068 -8.812 -8.812 443 1HE LYS 60 HE2 LYS 60 5.151 -7.294 -7.294 444 2HE LYS 60 HE1 LYS 60 6.473 -6.474 -6.474 445 1HZ LYS 60 HZ3 LYS 60 3.940 -7.143 -7.143 446 2HZ LYS 60 HZ2 LYS 60 4.084 -5.707 -5.707 447 3HZ LYS 60 HZ1 LYS 60 5.103 -5.988 -5.988 448 H LEU 61 HN LEU 61 5.841 -13.640 -13.640 449 HA LEU 61 HA LEU 61 8.501 -14.645 -14.645 450 1HB LEU 61 HB2 LEU 61 5.741 -15.627 -15.627 451 2HB LEU 61 HB1 LEU 61 7.018 -16.787 -16.787 452 HG LEU 61 HG LEU 61 7.813 -16.789 -16.789 453 1HD1 LEU 61 HD11 LEU 61 6.451 -14.105 -14.105 454 2HD1 LEU 61 HD13 LEU 61 6.888 -15.004 -15.004 455 3HD1 LEU 61 HD12 LEU 61 8.139 -14.510 -14.510 456 1HD2 LEU 61 HD21 LEU 61 4.816 -16.364 -16.364 457 2HD2 LEU 61 HD23 LEU 61 5.681 -17.899 -17.899 458 3HD2 LEU 61 HD22 LEU 61 5.736 -16.924 -16.924 459 H LYS 62 HN LYS 62 7.299 -13.371 -13.371 460 HA LYS 62 HA LYS 62 9.237 -14.933 -14.933 461 1HB LYS 62 HB2 LYS 62 7.059 -15.976 -15.976 462 2HB LYS 62 HB1 LYS 62 6.308 -14.406 -14.406 463 1HG LYS 62 HG2 LYS 62 8.131 -14.236 -14.236 464 2HG LYS 62 HG1 LYS 62 8.116 -15.996 -15.996 465 1HD LYS 62 HD2 LYS 62 5.537 -14.452 -14.452 466 2HD LYS 62 HD1 LYS 62 6.459 -14.860 -14.860 467 1HE LYS 62 HE2 LYS 62 6.472 -17.283 -17.283 468 2HE LYS 62 HE1 LYS 62 4.963 -16.655 -16.655 469 1HZ LYS 62 HZ3 LYS 62 4.643 -15.809 -15.809 470 2HZ LYS 62 HZ2 LYS 62 5.690 -17.095 -17.095 471 3HZ LYS 62 HZ1 LYS 62 4.216 -17.395 -17.395 472 HA PRO 63 HA PRO 63 10.147 -10.823 -10.823 473 1HB PRO 63 HB2 PRO 63 11.743 -11.462 -11.462 474 2HB PRO 63 HB1 PRO 63 12.277 -11.598 -11.598 475 1HG PRO 63 HG2 PRO 63 11.360 -13.712 -13.712 476 2HG PRO 63 HG1 PRO 63 12.620 -13.774 -13.774 477 1HD PRO 63 HD2 PRO 63 10.092 -14.829 -14.829 478 2HD PRO 63 HD1 PRO 63 11.138 -14.345 -14.345 479 H TYR 64 HN TYR 64 7.776 -10.683 -10.683 480 HA TYR 64 HA TYR 64 7.646 -10.461 -10.461 481 1HB TYR 64 HB2 TYR 64 6.481 -12.491 -12.491 482 2HB TYR 64 HB1 TYR 64 5.167 -11.323 -11.323 483 HD1 TYR 64 HD1 TYR 64 4.369 -10.580 -10.580 484 HD2 TYR 64 HD2 TYR 64 7.329 -13.662 -13.662 485 HE1 TYR 64 HE1 TYR 64 4.003 -11.268 -11.268 486 HE2 TYR 64 HE2 TYR 64 6.962 -14.350 -14.350 487 HH TYR 64 HH TYR 64 4.309 -13.255 -13.255 488 H SER 65 HN SER 65 8.060 -8.414 -8.414 489 HA SER 65 HA SER 65 5.453 -6.936 -6.936 490 1HB SER 65 HB2 SER 65 6.276 -7.602 -7.602 491 2HB SER 65 HB1 SER 65 7.748 -6.676 -6.676 492 HG SER 65 HG SER 65 6.612 -5.111 -5.111 493 H ILE 66 HN ILE 66 5.545 -4.770 -4.770 494 HA ILE 66 HA ILE 66 7.770 -4.063 -4.063 495 HB ILE 66 HB ILE 66 5.401 -3.530 -3.530 496 1HG1 ILE 66 HG12 ILE 66 5.703 -1.127 -1.127 497 2HG1 ILE 66 HG11 ILE 66 7.135 -1.085 -1.085 498 1HG2 ILE 66 HG23 ILE 66 5.693 -1.858 -1.858 499 2HG2 ILE 66 HG22 ILE 66 4.365 -1.665 -1.665 500 3HG2 ILE 66 HG21 ILE 66 4.565 -3.185 -3.185 501 1HD1 ILE 66 HD11 ILE 66 7.472 -3.306 -3.306 502 2HD1 ILE 66 HD13 ILE 66 6.894 -1.988 -1.988 503 3HD1 ILE 66 HD12 ILE 66 8.352 -1.778 -1.778 Start of MODEL 11 1 1H HIS 1 HT3 HIS 1 11.385 -34.403 -34.403 2 2H HIS 1 HT2 HIS 1 12.642 -33.287 -33.287 3 3H HIS 1 HT1 HIS 1 11.035 -32.852 -32.852 4 HA HIS 1 HA HIS 1 11.696 -31.847 -31.847 5 1HB HIS 1 HB2 HIS 1 13.400 -33.861 -33.861 6 2HB HIS 1 HB1 HIS 1 12.103 -34.623 -34.623 7 HD1 HIS 1 HD1 HIS 1 13.267 -30.988 -30.988 8 HD2 HIS 1 HD2 HIS 1 12.831 -34.195 -34.195 9 HE1 HIS 1 HE1 HIS 1 13.836 -30.108 -30.108 10 H PHE 2 HN PHE 2 9.368 -33.374 -33.374 11 HA PHE 2 HA PHE 2 7.481 -33.093 -33.093 12 1HB PHE 2 HB2 PHE 2 8.758 -35.452 -35.452 13 2HB PHE 2 HB1 PHE 2 7.481 -35.787 -35.787 14 HD1 PHE 2 HD1 PHE 2 5.078 -35.571 -35.571 15 HD2 PHE 2 HD2 PHE 2 8.292 -35.276 -35.276 16 HE1 PHE 2 HE1 PHE 2 3.474 -35.937 -35.937 17 HE2 PHE 2 HE2 PHE 2 6.687 -35.643 -35.643 18 HZ PHE 2 HZ PHE 2 4.279 -35.972 -35.972 19 H ALA 3 HN ALA 3 6.556 -31.556 -31.556 20 HA ALA 3 HA ALA 3 5.797 -32.203 -32.203 21 1HB ALA 3 HB2 ALA 3 4.626 -30.266 -30.266 22 2HB ALA 3 HB1 ALA 3 4.360 -30.195 -30.195 23 3HB ALA 3 HB3 ALA 3 5.975 -29.931 -29.931 24 H ALA 4 HN ALA 4 3.623 -31.875 -31.875 25 HA ALA 4 HA ALA 4 1.686 -33.115 -33.115 26 1HB ALA 4 HB3 ALA 4 3.431 -34.935 -34.935 27 2HB ALA 4 HB2 ALA 4 2.481 -35.053 -35.053 28 3HB ALA 4 HB1 ALA 4 1.730 -35.393 -35.393 29 H ASP 5 HN ASP 5 2.177 -31.494 -31.494 30 HA ASP 5 HA ASP 5 0.005 -32.403 -32.403 31 1HB ASP 5 HB2 ASP 5 1.638 -29.861 -29.861 32 2HB ASP 5 HB1 ASP 5 0.452 -30.121 -30.121 33 H CYS 6 HN CYS 6 -2.114 -32.226 -32.226 34 HA CYS 6 HA CYS 6 -2.929 -30.098 -30.098 35 1HB CYS 6 HB2 CYS 6 -4.544 -32.324 -32.324 36 2HB CYS 6 HB1 CYS 6 -4.927 -31.441 -31.441 37 H CYS 7 HN CYS 7 -4.809 -28.719 -28.719 38 HA CYS 7 HA CYS 7 -4.789 -27.874 -27.874 39 1HB CYS 7 HB2 CYS 7 -5.550 -26.813 -26.813 40 2HB CYS 7 HB1 CYS 7 -6.509 -26.231 -26.231 41 H THR 8 HN THR 8 -6.533 -28.183 -28.183 42 HA THR 8 HA THR 8 -8.796 -29.840 -29.840 43 HB THR 8 HB THR 8 -7.439 -30.533 -30.533 44 HG1 THR 8 HG1 THR 8 -9.939 -29.794 -29.794 45 1HG2 THR 8 HG21 THR 8 -8.439 -27.876 -27.876 46 2HG2 THR 8 HG23 THR 8 -7.922 -29.159 -29.159 47 3HG2 THR 8 HG22 THR 8 -6.780 -28.471 -28.471 48 H SER 9 HN SER 9 -7.975 -26.657 -26.657 49 HA SER 9 HA SER 9 -10.711 -25.695 -25.695 50 1HB SER 9 HB2 SER 9 -9.390 -25.194 -25.194 51 2HB SER 9 HB1 SER 9 -11.059 -24.854 -24.854 52 HG SER 9 HG SER 9 -11.424 -27.070 -27.070 53 H TYR 10 HN TYR 10 -10.151 -23.158 -23.158 54 HA TYR 10 HA TYR 10 -7.648 -22.197 -22.197 55 1HB TYR 10 HB2 TYR 10 -10.430 -21.146 -21.146 56 2HB TYR 10 HB1 TYR 10 -8.926 -20.449 -20.449 57 HD1 TYR 10 HD1 TYR 10 -7.263 -22.341 -22.341 58 HD2 TYR 10 HD2 TYR 10 -11.549 -22.584 -22.584 59 HE1 TYR 10 HE1 TYR 10 -7.259 -23.984 -23.984 60 HE2 TYR 10 HE2 TYR 10 -11.545 -24.225 -24.225 61 HH TYR 10 HH TYR 10 -9.228 -25.992 -25.992 62 H ILE 11 HN ILE 11 -7.090 -19.999 -19.999 63 HA ILE 11 HA ILE 11 -7.487 -19.611 -19.611 64 HB ILE 11 HB ILE 11 -6.219 -17.622 -17.622 65 1HG1 ILE 11 HG12 ILE 11 -7.851 -16.700 -16.700 66 2HG1 ILE 11 HG11 ILE 11 -6.150 -16.371 -16.371 67 1HG2 ILE 11 HG23 ILE 11 -5.176 -19.845 -19.845 68 2HG2 ILE 11 HG22 ILE 11 -5.425 -19.250 -19.250 69 3HG2 ILE 11 HG21 ILE 11 -4.394 -18.353 -18.353 70 1HD1 ILE 11 HD11 ILE 11 -6.132 -18.446 -18.446 71 2HD1 ILE 11 HD13 ILE 11 -7.888 -18.490 -18.490 72 3HD1 ILE 11 HD12 ILE 11 -7.114 -17.114 -17.114 73 H SER 12 HN SER 12 -8.578 -17.643 -17.643 74 HA SER 12 HA SER 12 -11.262 -17.293 -17.293 75 1HB SER 12 HB2 SER 12 -11.195 -16.035 -16.035 76 2HB SER 12 HB1 SER 12 -11.753 -17.678 -17.678 77 HG SER 12 HG SER 12 -9.948 -18.464 -18.464 78 H GLN 13 HN GLN 13 -8.336 -15.703 -15.703 79 HA GLN 13 HA GLN 13 -9.663 -13.125 -13.125 80 1HB GLN 13 HB2 GLN 13 -8.017 -11.943 -11.943 81 2HB GLN 13 HB1 GLN 13 -8.997 -13.056 -13.056 82 1HG GLN 13 HG2 GLN 13 -7.246 -14.529 -14.529 83 2HG GLN 13 HG1 GLN 13 -6.450 -14.089 -14.089 84 1HE2 GLN 13 HE21 GLN 13 -5.509 -14.082 -14.082 85 2HE2 GLN 13 HE22 GLN 13 -4.838 -12.535 -12.535 86 H SER 14 HN SER 14 -7.640 -11.594 -11.594 87 HA SER 14 HA SER 14 -6.604 -12.685 -12.685 88 1HB SER 14 HB2 SER 14 -6.253 -10.304 -10.304 89 2HB SER 14 HB1 SER 14 -4.874 -10.661 -10.661 90 HG SER 14 HG SER 14 -6.328 -9.379 -9.379 91 H ILE 15 HN ILE 15 -4.603 -13.663 -13.663 92 HA ILE 15 HA ILE 15 -3.262 -15.128 -15.128 93 HB ILE 15 HB ILE 15 -2.731 -14.572 -14.572 94 1HG1 ILE 15 HG12 ILE 15 -4.694 -16.007 -16.007 95 2HG1 ILE 15 HG11 ILE 15 -3.546 -16.805 -16.805 96 1HG2 ILE 15 HG21 ILE 15 -0.619 -15.016 -15.016 97 2HG2 ILE 15 HG23 ILE 15 -1.285 -16.617 -16.617 98 3HG2 ILE 15 HG22 ILE 15 -0.921 -16.129 -16.129 99 1HD1 ILE 15 HD11 ILE 15 -3.460 -17.011 -17.011 100 2HD1 ILE 15 HD13 ILE 15 -4.222 -18.208 -18.208 101 3HD1 ILE 15 HD12 ILE 15 -2.484 -17.924 -17.924 102 HA PRO 16 HA PRO 16 -0.412 -11.905 -11.905 103 1HB PRO 16 HB2 PRO 16 1.254 -13.417 -13.417 104 2HB PRO 16 HB1 PRO 16 -0.348 -12.889 -12.889 105 1HG PRO 16 HG2 PRO 16 0.536 -15.535 -15.535 106 2HG PRO 16 HG1 PRO 16 -0.642 -15.151 -15.151 107 1HD PRO 16 HD2 PRO 16 -1.280 -15.887 -15.887 108 2HD PRO 16 HD1 PRO 16 -2.352 -14.978 -14.978 109 H CYS 17 HN CYS 17 0.430 -11.758 -11.758 110 HA CYS 17 HA CYS 17 2.396 -13.503 -13.503 111 1HB CYS 17 HB2 CYS 17 2.211 -10.496 -10.496 112 2HB CYS 17 HB1 CYS 17 2.799 -11.653 -11.653 113 H SER 18 HN SER 18 2.595 -10.829 -10.829 114 HA SER 18 HA SER 18 5.457 -10.470 -10.470 115 1HB SER 18 HB2 SER 18 3.245 -9.214 -9.214 116 2HB SER 18 HB1 SER 18 3.984 -9.880 -9.880 117 HG SER 18 HG SER 18 5.637 -8.637 -8.637 118 H LEU 19 HN LEU 19 3.907 -13.232 -13.232 119 HA LEU 19 HA LEU 19 5.975 -13.885 -13.885 120 1HB LEU 19 HB2 LEU 19 3.028 -13.883 -13.883 121 2HB LEU 19 HB1 LEU 19 3.769 -15.375 -15.375 122 HG LEU 19 HG LEU 19 5.372 -13.397 -13.397 123 1HD1 LEU 19 HD12 LEU 19 2.820 -12.247 -12.247 124 2HD1 LEU 19 HD11 LEU 19 2.970 -12.342 -12.342 125 3HD1 LEU 19 HD13 LEU 19 4.189 -11.487 -11.487 126 1HD2 LEU 19 HD23 LEU 19 4.085 -15.577 -15.577 127 2HD2 LEU 19 HD22 LEU 19 4.710 -14.361 -14.361 128 3HD2 LEU 19 HD21 LEU 19 3.003 -14.356 -14.356 129 H MET 20 HN MET 20 5.694 -14.447 -14.447 130 HA MET 20 HA MET 20 5.894 -17.429 -17.429 131 1HB MET 20 HB2 MET 20 4.614 -16.107 -16.107 132 2HB MET 20 HB1 MET 20 4.418 -17.756 -17.756 133 1HG MET 20 HG2 MET 20 3.486 -15.454 -15.454 134 2HG MET 20 HG1 MET 20 2.490 -16.015 -16.015 135 1HE MET 20 HE2 MET 20 0.761 -16.261 -16.261 136 2HE MET 20 HE1 MET 20 0.501 -17.856 -17.856 137 3HE MET 20 HE3 MET 20 0.399 -17.630 -17.630 138 H LYS 21 HN LYS 21 7.655 -18.218 -18.218 139 HA LYS 21 HA LYS 21 9.352 -16.334 -16.334 140 1HB LYS 21 HB2 LYS 21 10.492 -17.501 -17.501 141 2HB LYS 21 HB1 LYS 21 9.690 -19.023 -19.023 142 1HG LYS 21 HG2 LYS 21 11.325 -19.562 -19.562 143 2HG LYS 21 HG1 LYS 21 11.101 -18.046 -18.046 144 1HD LYS 21 HD2 LYS 21 12.472 -16.922 -16.922 145 2HD LYS 21 HD1 LYS 21 12.850 -18.532 -18.532 146 1HE LYS 21 HE2 LYS 21 13.382 -18.761 -18.761 147 2HE LYS 21 HE1 LYS 21 13.956 -17.129 -17.129 148 1HZ LYS 21 HZ3 LYS 21 14.550 -19.554 -19.554 149 2HZ LYS 21 HZ2 LYS 21 15.616 -18.898 -18.898 150 3HZ LYS 21 HZ1 LYS 21 15.189 -18.000 -18.000 151 H SER 22 HN SER 22 7.630 -19.446 -19.446 152 HA SER 22 HA SER 22 7.704 -19.047 -19.047 153 1HB SER 22 HB2 SER 22 9.745 -20.414 -20.414 154 2HB SER 22 HB1 SER 22 8.664 -21.713 -21.713 155 HG SER 22 HG SER 22 8.711 -20.818 -20.818 156 H TYR 23 HN TYR 23 5.665 -19.569 -19.569 157 HA TYR 23 HA TYR 23 4.021 -21.449 -21.449 158 1HB TYR 23 HB2 TYR 23 2.195 -20.444 -20.444 159 2HB TYR 23 HB1 TYR 23 3.301 -19.134 -19.134 160 HD1 TYR 23 HD1 TYR 23 2.145 -21.382 -21.382 161 HD2 TYR 23 HD2 TYR 23 4.551 -17.970 -17.970 162 HE1 TYR 23 HE1 TYR 23 2.405 -20.856 -20.856 163 HE2 TYR 23 HE2 TYR 23 4.811 -17.442 -17.442 164 HH TYR 23 HH TYR 23 4.263 -18.002 -18.002 165 H PHE 24 HN PHE 24 2.628 -23.019 -23.019 166 HA PHE 24 HA PHE 24 3.941 -23.882 -23.882 167 1HB PHE 24 HB2 PHE 24 4.604 -25.987 -25.987 168 2HB PHE 24 HB1 PHE 24 5.011 -24.895 -24.895 169 HD1 PHE 24 HD1 PHE 24 2.268 -27.139 -27.139 170 HD2 PHE 24 HD2 PHE 24 4.141 -25.263 -25.263 171 HE1 PHE 24 HE1 PHE 24 0.820 -28.445 -28.445 172 HE2 PHE 24 HE2 PHE 24 2.690 -26.575 -26.575 173 HZ PHE 24 HZ PHE 24 1.031 -28.166 -28.166 174 H GLU 25 HN GLU 25 2.569 -25.215 -25.215 175 HA GLU 25 HA GLU 25 -0.305 -25.009 -25.009 176 1HB GLU 25 HB2 GLU 25 -0.494 -25.800 -25.800 177 2HB GLU 25 HB1 GLU 25 0.455 -24.325 -24.325 178 1HG GLU 25 HG2 GLU 25 2.273 -25.332 -25.332 179 2HG GLU 25 HG1 GLU 25 2.164 -26.631 -26.631 180 H THR 26 HN THR 26 -1.609 -26.816 -26.816 181 HA THR 26 HA THR 26 -0.312 -29.260 -29.260 182 HB THR 26 HB THR 26 -2.650 -29.929 -29.929 183 HG1 THR 26 HG1 THR 26 -3.347 -28.851 -28.851 184 1HG2 THR 26 HG21 THR 26 -1.675 -27.188 -27.188 185 2HG2 THR 26 HG23 THR 26 -3.316 -27.641 -27.641 186 3HG2 THR 26 HG22 THR 26 -1.942 -28.582 -28.582 187 H SER 27 HN SER 27 -1.802 -31.338 -31.338 188 HA SER 27 HA SER 27 -1.131 -31.450 -31.450 189 1HB SER 27 HB2 SER 27 -1.765 -33.676 -33.676 190 2HB SER 27 HB1 SER 27 -0.980 -33.835 -33.835 191 HG SER 27 HG SER 27 0.761 -33.663 -33.663 192 H SER 28 HN SER 28 -2.730 -31.990 -31.990 193 HA SER 28 HA SER 28 -5.484 -31.476 -31.476 194 1HB SER 28 HB2 SER 28 -4.474 -31.051 -31.051 195 2HB SER 28 HB1 SER 28 -4.149 -32.772 -32.772 196 HG SER 28 HG SER 28 -6.755 -31.867 -31.867 197 H GLU 29 HN GLU 29 -3.571 -34.219 -34.219 198 HA GLU 29 HA GLU 29 -5.536 -36.294 -36.294 199 1HB GLU 29 HB2 GLU 29 -2.830 -36.106 -36.106 200 2HB GLU 29 HB1 GLU 29 -3.449 -36.793 -36.793 201 1HG GLU 29 HG2 GLU 29 -3.250 -38.758 -38.758 202 2HG GLU 29 HG1 GLU 29 -4.830 -38.285 -38.285 203 H CYS 30 HN CYS 30 -4.848 -34.154 -34.154 204 HA CYS 30 HA CYS 30 -6.197 -35.696 -35.696 205 1HB CYS 30 HB2 CYS 30 -4.867 -33.115 -33.115 206 2HB CYS 30 HB1 CYS 30 -6.236 -33.007 -33.007 207 H SER 31 HN SER 31 -8.340 -35.416 -35.416 208 HA SER 31 HA SER 31 -10.382 -34.792 -34.792 209 1HB SER 31 HB2 SER 31 -10.691 -36.284 -36.284 210 2HB SER 31 HB1 SER 31 -10.366 -34.963 -34.963 211 HG SER 31 HG SER 31 -12.560 -35.150 -35.150 212 H LYS 32 HN LYS 32 -8.414 -32.731 -32.731 213 HA LYS 32 HA LYS 32 -10.045 -30.387 -30.387 214 1HB LYS 32 HB2 LYS 32 -10.544 -31.465 -31.465 215 2HB LYS 32 HB1 LYS 32 -9.121 -30.525 -30.525 216 1HG LYS 32 HG2 LYS 32 -10.147 -28.478 -28.478 217 2HG LYS 32 HG1 LYS 32 -11.508 -29.369 -29.369 218 1HD LYS 32 HD2 LYS 32 -11.352 -30.168 -30.168 219 2HD LYS 32 HD1 LYS 32 -11.131 -28.417 -28.417 220 1HE LYS 32 HE2 LYS 32 -13.556 -29.135 -29.135 221 2HE LYS 32 HE1 LYS 32 -13.195 -28.114 -28.114 222 1HZ LYS 32 HZ1 LYS 32 -12.734 -30.977 -30.977 223 2HZ LYS 32 HZ3 LYS 32 -14.358 -30.498 -30.498 224 3HZ LYS 32 HZ2 LYS 32 -13.351 -29.855 -29.855 225 HA PRO 33 HA PRO 33 -5.680 -29.402 -29.402 226 1HB PRO 33 HB2 PRO 33 -6.134 -27.341 -27.341 227 2HB PRO 33 HB1 PRO 33 -6.133 -29.043 -29.043 228 1HG PRO 33 HG2 PRO 33 -8.427 -27.226 -27.226 229 2HG PRO 33 HG1 PRO 33 -8.249 -28.469 -28.469 230 1HD PRO 33 HD2 PRO 33 -9.680 -28.813 -28.813 231 2HD PRO 33 HD1 PRO 33 -8.933 -30.144 -30.144 232 H GLY 34 HN GLY 34 -4.927 -26.727 -26.727 233 1HA GLY 34 HA2 GLY 34 -5.966 -24.608 -24.608 234 2HA GLY 34 HA1 GLY 34 -5.646 -25.648 -25.648 235 H VAL 35 HN VAL 35 -4.369 -23.138 -23.138 236 HA VAL 35 HA VAL 35 -1.574 -23.900 -23.900 237 HB VAL 35 HB VAL 35 -3.096 -21.290 -21.290 238 1HG1 VAL 35 HG13 VAL 35 -0.133 -21.804 -21.804 239 2HG1 VAL 35 HG12 VAL 35 -0.879 -20.306 -20.306 240 3HG1 VAL 35 HG11 VAL 35 -0.946 -20.740 -20.740 241 1HG2 VAL 35 HG21 VAL 35 -3.401 -22.613 -22.613 242 2HG2 VAL 35 HG23 VAL 35 -2.537 -21.110 -21.110 243 3HG2 VAL 35 HG22 VAL 35 -1.653 -22.634 -22.634 244 H ILE 36 HN ILE 36 -0.366 -24.462 -24.462 245 HA ILE 36 HA ILE 36 -1.101 -23.267 -23.267 246 HB ILE 36 HB ILE 36 0.509 -25.639 -25.639 247 1HG1 ILE 36 HG12 ILE 36 -1.921 -25.191 -25.191 248 2HG1 ILE 36 HG11 ILE 36 -1.813 -26.109 -26.109 249 1HG2 ILE 36 HG23 ILE 36 1.781 -24.453 -24.453 250 2HG2 ILE 36 HG22 ILE 36 0.369 -24.619 -24.619 251 3HG2 ILE 36 HG21 ILE 36 1.223 -26.055 -26.055 252 1HD1 ILE 36 HD12 ILE 36 -0.221 -27.680 -27.680 253 2HD1 ILE 36 HD11 ILE 36 -0.603 -26.832 -26.832 254 3HD1 ILE 36 HD13 ILE 36 -1.868 -27.701 -27.701 255 H PHE 37 HN PHE 37 0.172 -21.665 -21.665 256 HA PHE 37 HA PHE 37 2.619 -20.882 -20.882 257 1HB PHE 37 HB2 PHE 37 0.955 -19.701 -19.701 258 2HB PHE 37 HB1 PHE 37 2.466 -18.964 -18.964 259 HD1 PHE 37 HD1 PHE 37 -0.968 -19.892 -19.892 260 HD2 PHE 37 HD2 PHE 37 2.626 -17.795 -17.795 261 HE1 PHE 37 HE1 PHE 37 -2.167 -18.797 -18.797 262 HE2 PHE 37 HE2 PHE 37 1.425 -16.701 -16.701 263 HZ PHE 37 HZ PHE 37 -0.971 -17.200 -17.200 264 H LEU 38 HN LEU 38 4.703 -21.117 -21.117 265 HA LEU 38 HA LEU 38 4.912 -22.694 -22.694 266 1HB LEU 38 HB2 LEU 38 5.979 -23.032 -23.032 267 2HB LEU 38 HB1 LEU 38 7.283 -22.153 -22.153 268 HG LEU 38 HG LEU 38 7.543 -24.600 -24.600 269 1HD1 LEU 38 HD11 LEU 38 6.959 -22.852 -22.852 270 2HD1 LEU 38 HD13 LEU 38 7.393 -24.544 -24.544 271 3HD1 LEU 38 HD12 LEU 38 8.512 -23.456 -23.456 272 1HD2 LEU 38 HD21 LEU 38 4.780 -24.573 -24.573 273 2HD2 LEU 38 HD23 LEU 38 5.824 -25.953 -25.953 274 3HD2 LEU 38 HD22 LEU 38 5.322 -24.886 -24.886 275 H THR 39 HN THR 39 5.452 -21.544 -21.544 276 HA THR 39 HA THR 39 6.528 -18.804 -18.804 277 HB THR 39 HB THR 39 5.852 -18.596 -18.596 278 HG1 THR 39 HG1 THR 39 6.397 -20.152 -20.152 279 1HG2 THR 39 HG22 THR 39 4.051 -19.312 -19.312 280 2HG2 THR 39 HG21 THR 39 3.912 -20.734 -20.734 281 3HG2 THR 39 HG23 THR 39 3.605 -19.128 -19.128 282 H LYS 40 HN LYS 40 8.567 -18.177 -18.177 283 HA LYS 40 HA LYS 40 10.693 -20.106 -20.106 284 1HB LYS 40 HB2 LYS 40 10.830 -17.661 -17.661 285 2HB LYS 40 HB1 LYS 40 10.611 -17.318 -17.318 286 1HG LYS 40 HG2 LYS 40 12.895 -17.374 -17.374 287 2HG LYS 40 HG1 LYS 40 12.647 -19.118 -19.118 288 1HD LYS 40 HD2 LYS 40 12.676 -19.133 -19.133 289 2HD LYS 40 HD1 LYS 40 13.208 -17.453 -17.453 290 1HE LYS 40 HE2 LYS 40 14.734 -19.302 -19.302 291 2HE LYS 40 HE1 LYS 40 14.933 -19.572 -19.572 292 1HZ LYS 40 HZ3 LYS 40 15.124 -17.047 -17.047 293 2HZ LYS 40 HZ2 LYS 40 15.376 -17.083 -17.083 294 3HZ LYS 40 HZ1 LYS 40 16.455 -17.881 -17.881 295 H LYS 41 HN LYS 41 8.693 -18.850 -18.850 296 HA LYS 41 HA LYS 41 10.394 -19.651 -19.651 297 1HB LYS 41 HB2 LYS 41 8.027 -18.232 -18.232 298 2HB LYS 41 HB1 LYS 41 7.521 -19.626 -19.626 299 1HG LYS 41 HG2 LYS 41 8.215 -18.400 -18.400 300 2HG LYS 41 HG1 LYS 41 9.835 -18.882 -18.882 301 1HD LYS 41 HD2 LYS 41 10.214 -16.636 -16.636 302 2HD LYS 41 HD1 LYS 41 9.384 -16.753 -16.753 303 1HE LYS 41 HE2 LYS 41 7.442 -15.797 -15.797 304 2HE LYS 41 HE1 LYS 41 7.689 -16.449 -16.449 305 1HZ LYS 41 HZ1 LYS 41 9.675 -14.957 -14.957 306 2HZ LYS 41 HZ3 LYS 41 9.164 -14.221 -14.221 307 3HZ LYS 41 HZ2 LYS 41 8.189 -14.135 -14.135 308 H GLY 42 HN GLY 42 8.767 -21.503 -21.503 309 1HA GLY 42 HA2 GLY 42 8.726 -23.901 -23.901 310 2HA GLY 42 HA1 GLY 42 8.948 -23.888 -23.888 311 H ARG 43 HN ARG 43 6.532 -22.692 -22.692 312 HA ARG 43 HA ARG 43 4.398 -24.070 -24.070 313 1HB ARG 43 HB2 ARG 43 5.088 -21.418 -21.418 314 2HB ARG 43 HB1 ARG 43 3.740 -21.291 -21.291 315 1HG ARG 43 HG2 ARG 43 2.247 -21.936 -21.936 316 2HG ARG 43 HG1 ARG 43 3.256 -23.293 -23.293 317 1HD ARG 43 HD2 ARG 43 4.632 -21.019 -21.019 318 2HD ARG 43 HD1 ARG 43 2.926 -20.697 -20.697 319 HE ARG 43 HE ARG 43 4.475 -23.063 -23.063 320 1HH1 ARG 43 HH11 ARG 43 1.338 -22.882 -22.882 321 2HH1 ARG 43 HH12 ARG 43 0.711 -22.905 -22.905 322 1HH2 ARG 43 HH21 ARG 43 3.794 -22.353 -22.353 323 2HH2 ARG 43 HH22 ARG 43 2.102 -22.606 -22.606 324 H GLN 44 HN GLN 44 2.199 -23.607 -23.607 325 HA GLN 44 HA GLN 44 2.635 -23.207 -23.207 326 1HB GLN 44 HB2 GLN 44 1.204 -25.650 -25.650 327 2HB GLN 44 HB1 GLN 44 1.872 -25.374 -25.374 328 1HG GLN 44 HG2 GLN 44 4.161 -25.369 -25.369 329 2HG GLN 44 HG1 GLN 44 3.462 -25.733 -25.733 330 1HE2 GLN 44 HE21 GLN 44 1.489 -27.626 -27.626 331 2HE2 GLN 44 HE22 GLN 44 2.240 -29.003 -29.003 332 H VAL 45 HN VAL 45 0.867 -22.253 -22.253 333 HA VAL 45 HA VAL 45 -1.632 -22.014 -22.014 334 HB VAL 45 HB VAL 45 -0.348 -20.191 -20.191 335 1HG1 VAL 45 HG13 VAL 45 -2.995 -20.101 -20.101 336 2HG1 VAL 45 HG12 VAL 45 -2.205 -18.615 -18.615 337 3HG1 VAL 45 HG11 VAL 45 -2.666 -19.837 -19.837 338 1HG2 VAL 45 HG23 VAL 45 -0.128 -20.472 -20.472 339 2HG2 VAL 45 HG22 VAL 45 0.789 -19.430 -19.430 340 3HG2 VAL 45 HG21 VAL 45 -0.752 -18.879 -18.879 341 H CYS 46 HN CYS 46 -3.633 -21.727 -21.727 342 HA CYS 46 HA CYS 46 -3.348 -23.263 -23.263 343 1HB CYS 46 HB2 CYS 46 -4.735 -23.904 -23.904 344 2HB CYS 46 HB1 CYS 46 -5.841 -23.896 -23.896 345 H ALA 47 HN ALA 47 -4.053 -21.889 -21.889 346 HA ALA 47 HA ALA 47 -6.367 -20.087 -20.087 347 1HB ALA 47 HB2 ALA 47 -4.014 -19.094 -19.094 348 2HB ALA 47 HB1 ALA 47 -4.121 -19.530 -19.530 349 3HB ALA 47 HB3 ALA 47 -5.267 -18.382 -18.382 350 H LYS 48 HN LYS 48 -7.633 -19.474 -19.474 351 HA LYS 48 HA LYS 48 -8.283 -21.797 -21.797 352 1HB LYS 48 HB2 LYS 48 -9.285 -19.137 -19.137 353 2HB LYS 48 HB1 LYS 48 -9.479 -19.497 -19.497 354 1HG LYS 48 HG2 LYS 48 -10.887 -21.304 -21.304 355 2HG LYS 48 HG1 LYS 48 -10.224 -21.595 -21.595 356 1HD LYS 48 HD2 LYS 48 -11.467 -19.857 -19.857 357 2HD LYS 48 HD1 LYS 48 -11.698 -19.036 -19.036 358 1HE LYS 48 HE2 LYS 48 -13.009 -21.241 -21.241 359 2HE LYS 48 HE1 LYS 48 -13.162 -21.412 -21.412 360 1HZ LYS 48 HZ1 LYS 48 -13.577 -18.736 -18.736 361 2HZ LYS 48 HZ3 LYS 48 -14.770 -19.866 -19.866 362 3HZ LYS 48 HZ2 LYS 48 -14.427 -19.564 -19.564 363 HA PRO 49 HA PRO 49 -6.005 -20.981 -20.981 364 1HB PRO 49 HB2 PRO 49 -7.862 -20.944 -20.944 365 2HB PRO 49 HB1 PRO 49 -7.379 -22.428 -22.428 366 1HG PRO 49 HG2 PRO 49 -9.793 -20.720 -20.720 367 2HG PRO 49 HG1 PRO 49 -9.648 -22.483 -22.483 368 1HD PRO 49 HD2 PRO 49 -9.815 -20.965 -20.965 369 2HD PRO 49 HD1 PRO 49 -8.976 -22.529 -22.529 370 H SER 50 HN SER 50 -8.906 -18.921 -18.921 371 HA SER 50 HA SER 50 -7.322 -16.687 -16.687 372 1HB SER 50 HB2 SER 50 -10.152 -17.648 -17.648 373 2HB SER 50 HB1 SER 50 -9.820 -15.930 -15.930 374 HG SER 50 HG SER 50 -9.615 -16.934 -16.934 375 H GLY 51 HN GLY 51 -7.706 -17.549 -17.549 376 1HA GLY 51 HA2 GLY 51 -9.475 -15.939 -15.939 377 2HA GLY 51 HA1 GLY 51 -7.867 -16.356 -16.356 378 HA PRO 52 HA PRO 52 -8.284 -11.830 -11.830 379 1HB PRO 52 HB2 PRO 52 -9.346 -10.568 -10.568 380 2HB PRO 52 HB1 PRO 52 -10.333 -11.182 -11.182 381 1HG PRO 52 HG2 PRO 52 -9.799 -12.387 -12.387 382 2HG PRO 52 HG1 PRO 52 -11.303 -12.337 -12.337 383 1HD PRO 52 HD2 PRO 52 -9.697 -14.535 -14.535 384 2HD PRO 52 HD1 PRO 52 -10.727 -14.165 -14.165 385 H GLY 53 HN GLY 53 -5.965 -12.166 -12.166 386 1HA GLY 53 HA2 GLY 53 -4.297 -10.678 -10.678 387 2HA GLY 53 HA1 GLY 53 -4.948 -11.442 -11.442 388 H VAL 54 HN VAL 54 -5.210 -14.014 -14.014 389 HA VAL 54 HA VAL 54 -2.801 -15.290 -15.290 390 HB VAL 54 HB VAL 54 -4.881 -15.972 -15.972 391 1HG1 VAL 54 HG11 VAL 54 -2.689 -17.204 -17.204 392 2HG1 VAL 54 HG13 VAL 54 -2.932 -17.843 -17.843 393 3HG1 VAL 54 HG12 VAL 54 -4.072 -18.244 -18.244 394 1HG2 VAL 54 HG21 VAL 54 -4.539 -16.759 -16.759 395 2HG2 VAL 54 HG23 VAL 54 -5.803 -15.722 -15.722 396 3HG2 VAL 54 HG22 VAL 54 -5.756 -17.435 -17.435 397 H GLN 55 HN GLN 55 -3.760 -13.960 -13.960 398 HA GLN 55 HA GLN 55 -1.385 -14.831 -14.831 399 1HB GLN 55 HB2 GLN 55 -3.819 -13.587 -13.587 400 2HB GLN 55 HB1 GLN 55 -2.620 -12.345 -12.345 401 1HG GLN 55 HG2 GLN 55 -2.436 -15.193 -15.193 402 2HG GLN 55 HG1 GLN 55 -3.161 -13.877 -13.877 403 1HE2 GLN 55 HE21 GLN 55 -0.509 -15.513 -15.513 404 2HE2 GLN 55 HE22 GLN 55 0.664 -14.308 -14.308 405 H ASP 56 HN ASP 56 -2.164 -12.104 -12.104 406 HA ASP 56 HA ASP 56 0.064 -10.422 -10.422 407 1HB ASP 56 HB2 ASP 56 -2.018 -10.680 -10.680 408 2HB ASP 56 HB1 ASP 56 -0.559 -9.831 -9.831 409 H CYS 57 HN CYS 57 -0.445 -12.960 -12.960 410 HA CYS 57 HA CYS 57 2.121 -12.702 -12.702 411 1HB CYS 57 HB2 CYS 57 0.127 -14.956 -14.956 412 2HB CYS 57 HB1 CYS 57 1.565 -15.113 -15.113 413 H MET 58 HN MET 58 0.944 -14.728 -14.728 414 HA MET 58 HA MET 58 3.436 -16.109 -16.109 415 1HB MET 58 HB2 MET 58 1.157 -15.510 -15.510 416 2HB MET 58 HB1 MET 58 2.325 -16.823 -16.823 417 1HG MET 58 HG2 MET 58 1.383 -18.018 -18.018 418 2HG MET 58 HG1 MET 58 0.701 -16.572 -16.572 419 1HE MET 58 HE1 MET 58 0.675 -19.266 -19.266 420 2HE MET 58 HE3 MET 58 -0.928 -19.355 -19.355 421 3HE MET 58 HE2 MET 58 0.292 -18.265 -18.265 422 H LYS 59 HN LYS 59 2.204 -12.972 -12.972 423 HA LYS 59 HA LYS 59 3.910 -12.563 -12.563 424 1HB LYS 59 HB2 LYS 59 1.806 -11.297 -11.297 425 2HB LYS 59 HB1 LYS 59 3.086 -10.327 -10.327 426 1HG LYS 59 HG2 LYS 59 3.258 -9.187 -9.187 427 2HG LYS 59 HG1 LYS 59 3.809 -10.669 -10.669 428 1HD LYS 59 HD2 LYS 59 1.386 -11.306 -11.306 429 2HD LYS 59 HD1 LYS 59 0.950 -9.700 -9.700 430 1HE LYS 59 HE2 LYS 59 1.004 -9.496 -9.496 431 2HE LYS 59 HE1 LYS 59 2.547 -8.809 -8.809 432 1HZ LYS 59 HZ3 LYS 59 2.142 -11.663 -11.663 433 2HZ LYS 59 HZ2 LYS 59 2.794 -10.496 -10.496 434 3HZ LYS 59 HZ1 LYS 59 3.616 -10.912 -10.912 435 H LYS 60 HN LYS 60 4.152 -11.291 -11.291 436 HA LYS 60 HA LYS 60 6.912 -10.447 -10.447 437 1HB LYS 60 HB2 LYS 60 5.473 -9.340 -9.340 438 2HB LYS 60 HB1 LYS 60 5.028 -10.867 -10.867 439 1HG LYS 60 HG2 LYS 60 6.647 -9.812 -9.812 440 2HG LYS 60 HG1 LYS 60 7.468 -11.147 -11.147 441 1HD LYS 60 HD2 LYS 60 8.973 -9.332 -9.332 442 2HD LYS 60 HD1 LYS 60 8.151 -9.394 -9.394 443 1HE LYS 60 HE2 LYS 60 6.909 -7.464 -7.464 444 2HE LYS 60 HE1 LYS 60 6.989 -7.687 -7.687 445 1HZ LYS 60 HZ1 LYS 60 9.540 -7.437 -7.437 446 2HZ LYS 60 HZ3 LYS 60 8.596 -6.027 -6.027 447 3HZ LYS 60 HZ2 LYS 60 9.039 -6.777 -6.777 448 H LEU 61 HN LEU 61 5.410 -13.489 -13.489 449 HA LEU 61 HA LEU 61 7.540 -14.667 -14.667 450 1HB LEU 61 HB2 LEU 61 4.992 -15.400 -15.400 451 2HB LEU 61 HB1 LEU 61 6.142 -16.725 -16.725 452 HG LEU 61 HG LEU 61 4.479 -16.280 -16.280 453 1HD1 LEU 61 HD13 LEU 61 7.463 -16.554 -16.554 454 2HD1 LEU 61 HD12 LEU 61 6.209 -16.982 -16.982 455 3HD1 LEU 61 HD11 LEU 61 6.340 -17.868 -17.868 456 1HD2 LEU 61 HD23 LEU 61 5.505 -13.759 -13.759 457 2HD2 LEU 61 HD22 LEU 61 4.791 -14.465 -14.465 458 3HD2 LEU 61 HD21 LEU 61 6.541 -14.479 -14.479 459 H LYS 62 HN LYS 62 7.551 -13.648 -13.648 460 HA LYS 62 HA LYS 62 9.831 -15.411 -15.411 461 1HB LYS 62 HB2 LYS 62 7.200 -16.051 -16.051 462 2HB LYS 62 HB1 LYS 62 7.936 -15.384 -15.384 463 1HG LYS 62 HG2 LYS 62 9.601 -17.029 -17.029 464 2HG LYS 62 HG1 LYS 62 9.442 -17.399 -17.399 465 1HD LYS 62 HD2 LYS 62 7.126 -17.881 -17.881 466 2HD LYS 62 HD1 LYS 62 8.435 -19.059 -19.059 467 1HE LYS 62 HE2 LYS 62 7.974 -18.609 -18.609 468 2HE LYS 62 HE1 LYS 62 6.341 -18.414 -18.414 469 1HZ LYS 62 HZ3 LYS 62 6.932 -20.486 -20.486 470 2HZ LYS 62 HZ2 LYS 62 8.173 -20.727 -20.727 471 3HZ LYS 62 HZ1 LYS 62 6.551 -20.710 -20.710 472 HA PRO 63 HA PRO 63 10.299 -11.178 -11.178 473 1HB PRO 63 HB2 PRO 63 12.987 -11.044 -11.044 474 2HB PRO 63 HB1 PRO 63 11.761 -10.650 -10.650 475 1HG PRO 63 HG2 PRO 63 13.371 -13.133 -13.133 476 2HG PRO 63 HG1 PRO 63 12.883 -12.306 -12.306 477 1HD PRO 63 HD2 PRO 63 11.656 -14.552 -14.552 478 2HD PRO 63 HD1 PRO 63 10.850 -13.353 -13.353 479 H TYR 64 HN TYR 64 9.965 -11.926 -11.926 480 HA TYR 64 HA TYR 64 12.484 -12.619 -12.619 481 1HB TYR 64 HB2 TYR 64 10.406 -14.424 -14.424 482 2HB TYR 64 HB1 TYR 64 10.254 -14.127 -14.127 483 HD1 TYR 64 HD1 TYR 64 12.999 -13.663 -13.663 484 HD2 TYR 64 HD2 TYR 64 11.477 -16.498 -16.498 485 HE1 TYR 64 HE1 TYR 64 14.952 -15.134 -15.134 486 HE2 TYR 64 HE2 TYR 64 13.428 -17.969 -17.969 487 HH TYR 64 HH TYR 64 16.007 -16.998 -16.998 488 H SER 65 HN SER 65 10.740 -10.190 -10.190 489 HA SER 65 HA SER 65 10.164 -9.948 -9.948 490 1HB SER 65 HB2 SER 65 8.360 -9.647 -9.647 491 2HB SER 65 HB1 SER 65 8.139 -8.515 -8.515 492 HG SER 65 HG SER 65 6.893 -10.399 -10.399 493 H ILE 66 HN ILE 66 11.702 -8.412 -8.412 494 HA ILE 66 HA ILE 66 11.615 -5.828 -5.828 495 HB ILE 66 HB ILE 66 13.467 -7.364 -7.364 496 1HG1 ILE 66 HG12 ILE 66 15.166 -5.349 -5.349 497 2HG1 ILE 66 HG11 ILE 66 13.588 -4.610 -4.610 498 1HG2 ILE 66 HG22 ILE 66 13.740 -7.866 -7.866 499 2HG2 ILE 66 HG21 ILE 66 15.112 -6.815 -6.815 500 3HG2 ILE 66 HG23 ILE 66 14.902 -8.320 -8.320 501 1HD1 ILE 66 HD12 ILE 66 13.670 -5.808 -5.808 502 2HD1 ILE 66 HD11 ILE 66 15.399 -5.961 -5.961 503 3HD1 ILE 66 HD13 ILE 66 14.657 -4.363 -4.363 Start of MODEL 12 1 1H HIS 1 HT2 HIS 1 13.256 -32.953 -32.953 2 2H HIS 1 HT1 HIS 1 12.595 -34.374 -34.374 3 3H HIS 1 HT3 HIS 1 14.132 -34.408 -34.408 4 HA HIS 1 HA HIS 1 13.218 -34.025 -34.025 5 1HB HIS 1 HB2 HIS 1 12.186 -36.155 -36.155 6 2HB HIS 1 HB1 HIS 1 11.522 -36.083 -36.083 7 HD1 HIS 1 HD1 HIS 1 12.822 -37.415 -37.415 8 HD2 HIS 1 HD2 HIS 1 15.253 -36.030 -36.030 9 HE1 HIS 1 HE1 HIS 1 15.146 -38.311 -38.311 10 H PHE 2 HN PHE 2 11.991 -32.194 -32.194 11 HA PHE 2 HA PHE 2 9.596 -31.314 -31.314 12 1HB PHE 2 HB2 PHE 2 9.421 -29.945 -29.945 13 2HB PHE 2 HB1 PHE 2 11.146 -30.211 -30.211 14 HD1 PHE 2 HD1 PHE 2 12.343 -31.956 -31.956 15 HD2 PHE 2 HD2 PHE 2 8.291 -30.784 -30.784 16 HE1 PHE 2 HE1 PHE 2 12.499 -32.976 -32.976 17 HE2 PHE 2 HE2 PHE 2 8.447 -31.804 -31.804 18 HZ PHE 2 HZ PHE 2 10.552 -32.900 -32.900 19 H ALA 3 HN ALA 3 7.636 -32.325 -32.325 20 HA ALA 3 HA ALA 3 6.951 -34.364 -34.364 21 1HB ALA 3 HB3 ALA 3 7.043 -34.481 -34.481 22 2HB ALA 3 HB2 ALA 3 5.333 -34.169 -34.169 23 3HB ALA 3 HB1 ALA 3 6.111 -35.579 -35.579 24 H ALA 4 HN ALA 4 4.119 -34.219 -34.219 25 HA ALA 4 HA ALA 4 3.315 -31.663 -31.663 26 1HB ALA 4 HB1 ALA 4 2.625 -34.508 -34.508 27 2HB ALA 4 HB3 ALA 4 1.231 -33.429 -33.429 28 3HB ALA 4 HB2 ALA 4 2.517 -33.170 -33.170 29 H ASP 5 HN ASP 5 0.659 -31.621 -31.621 30 HA ASP 5 HA ASP 5 -0.046 -32.343 -32.343 31 1HB ASP 5 HB2 ASP 5 1.743 -30.265 -30.265 32 2HB ASP 5 HB1 ASP 5 0.203 -29.407 -29.407 33 H CYS 6 HN CYS 6 -2.180 -31.375 -31.375 34 HA CYS 6 HA CYS 6 -3.643 -30.031 -30.031 35 1HB CYS 6 HB2 CYS 6 -4.288 -32.730 -32.730 36 2HB CYS 6 HB1 CYS 6 -5.417 -31.825 -31.825 37 H CYS 7 HN CYS 7 -5.712 -29.127 -29.127 38 HA CYS 7 HA CYS 7 -6.085 -29.109 -29.109 39 1HB CYS 7 HB2 CYS 7 -4.966 -27.052 -27.052 40 2HB CYS 7 HB1 CYS 7 -6.466 -26.483 -26.483 41 H THR 8 HN THR 8 -8.261 -28.790 -28.790 42 HA THR 8 HA THR 8 -10.242 -28.860 -28.860 43 HB THR 8 HB THR 8 -11.670 -29.409 -29.409 44 HG1 THR 8 HG1 THR 8 -9.874 -30.739 -30.739 45 1HG2 THR 8 HG23 THR 8 -9.933 -31.040 -31.040 46 2HG2 THR 8 HG22 THR 8 -10.491 -31.834 -31.834 47 3HG2 THR 8 HG21 THR 8 -11.660 -31.182 -31.182 48 H SER 9 HN SER 9 -9.091 -26.898 -26.898 49 HA SER 9 HA SER 9 -11.174 -24.843 -24.843 50 1HB SER 9 HB2 SER 9 -10.125 -25.763 -25.763 51 2HB SER 9 HB1 SER 9 -11.148 -24.345 -24.345 52 HG SER 9 HG SER 9 -12.716 -25.722 -25.722 53 H TYR 10 HN TYR 10 -10.266 -22.835 -22.835 54 HA TYR 10 HA TYR 10 -7.329 -22.587 -22.587 55 1HB TYR 10 HB2 TYR 10 -9.503 -20.799 -20.799 56 2HB TYR 10 HB1 TYR 10 -7.771 -20.539 -20.539 57 HD1 TYR 10 HD1 TYR 10 -6.816 -23.334 -23.334 58 HD2 TYR 10 HD2 TYR 10 -10.252 -21.333 -21.333 59 HE1 TYR 10 HE1 TYR 10 -6.810 -24.893 -24.893 60 HE2 TYR 10 HE2 TYR 10 -10.246 -22.892 -22.892 61 HH TYR 10 HH TYR 10 -9.407 -25.235 -25.235 62 H ILE 11 HN ILE 11 -6.683 -20.171 -20.171 63 HA ILE 11 HA ILE 11 -6.989 -19.832 -19.832 64 HB ILE 11 HB ILE 11 -5.886 -17.742 -17.742 65 1HG1 ILE 11 HG12 ILE 11 -7.604 -16.840 -16.840 66 2HG1 ILE 11 HG11 ILE 11 -5.951 -16.541 -16.541 67 1HG2 ILE 11 HG21 ILE 11 -4.801 -19.938 -19.938 68 2HG2 ILE 11 HG23 ILE 11 -5.092 -19.220 -19.220 69 3HG2 ILE 11 HG22 ILE 11 -4.072 -18.386 -18.386 70 1HD1 ILE 11 HD12 ILE 11 -6.167 -18.709 -18.709 71 2HD1 ILE 11 HD11 ILE 11 -7.898 -18.610 -18.610 72 3HD1 ILE 11 HD13 ILE 11 -7.098 -17.325 -17.325 73 H SER 12 HN SER 12 -7.927 -17.483 -17.483 74 HA SER 12 HA SER 12 -10.819 -17.592 -17.592 75 1HB SER 12 HB2 SER 12 -10.434 -15.898 -15.898 76 2HB SER 12 HB1 SER 12 -10.861 -17.606 -17.606 77 HG SER 12 HG SER 12 -8.825 -18.128 -18.128 78 H GLN 13 HN GLN 13 -8.074 -15.719 -15.719 79 HA GLN 13 HA GLN 13 -9.756 -13.589 -13.589 80 1HB GLN 13 HB2 GLN 13 -8.506 -11.840 -11.840 81 2HB GLN 13 HB1 GLN 13 -9.362 -12.912 -12.912 82 1HG GLN 13 HG2 GLN 13 -7.184 -14.263 -14.263 83 2HG GLN 13 HG1 GLN 13 -6.412 -12.887 -12.887 84 1HE2 GLN 13 HE21 GLN 13 -5.511 -11.459 -11.459 85 2HE2 GLN 13 HE22 GLN 13 -6.111 -11.160 -11.160 86 H SER 14 HN SER 14 -8.015 -11.860 -11.860 87 HA SER 14 HA SER 14 -6.670 -12.941 -12.941 88 1HB SER 14 HB2 SER 14 -7.041 -10.497 -10.497 89 2HB SER 14 HB1 SER 14 -5.460 -10.698 -10.698 90 HG SER 14 HG SER 14 -4.654 -11.270 -11.270 91 H ILE 15 HN ILE 15 -4.607 -13.847 -13.847 92 HA ILE 15 HA ILE 15 -3.338 -15.226 -15.226 93 HB ILE 15 HB ILE 15 -2.737 -14.771 -14.771 94 1HG1 ILE 15 HG12 ILE 15 -4.626 -16.270 -16.270 95 2HG1 ILE 15 HG11 ILE 15 -3.361 -17.110 -17.110 96 1HG2 ILE 15 HG22 ILE 15 -0.628 -15.049 -15.049 97 2HG2 ILE 15 HG21 ILE 15 -1.216 -16.675 -16.675 98 3HG2 ILE 15 HG23 ILE 15 -0.839 -16.204 -16.204 99 1HD1 ILE 15 HD13 ILE 15 -2.380 -17.512 -17.512 100 2HD1 ILE 15 HD12 ILE 15 -4.064 -17.279 -17.279 101 3HD1 ILE 15 HD11 ILE 15 -3.629 -18.567 -18.567 102 HA PRO 16 HA PRO 16 -0.582 -11.946 -11.946 103 1HB PRO 16 HB2 PRO 16 1.047 -13.414 -13.414 104 2HB PRO 16 HB1 PRO 16 -0.586 -12.914 -12.914 105 1HG PRO 16 HG2 PRO 16 0.392 -15.548 -15.548 106 2HG PRO 16 HG1 PRO 16 -0.846 -15.179 -15.179 107 1HD PRO 16 HD2 PRO 16 -1.357 -15.948 -15.948 108 2HD PRO 16 HD1 PRO 16 -2.495 -15.061 -15.061 109 H CYS 17 HN CYS 17 0.344 -11.793 -11.793 110 HA CYS 17 HA CYS 17 2.361 -13.525 -13.525 111 1HB CYS 17 HB2 CYS 17 2.185 -10.522 -10.522 112 2HB CYS 17 HB1 CYS 17 2.783 -11.699 -11.699 113 H SER 18 HN SER 18 2.465 -10.806 -10.806 114 HA SER 18 HA SER 18 5.342 -10.495 -10.495 115 1HB SER 18 HB2 SER 18 2.930 -9.438 -9.438 116 2HB SER 18 HB1 SER 18 4.221 -9.611 -9.611 117 HG SER 18 HG SER 18 4.125 -8.063 -8.063 118 H LEU 19 HN LEU 19 3.778 -13.225 -13.225 119 HA LEU 19 HA LEU 19 5.667 -13.817 -13.817 120 1HB LEU 19 HB2 LEU 19 2.861 -13.476 -13.476 121 2HB LEU 19 HB1 LEU 19 3.143 -15.214 -15.214 122 HG LEU 19 HG LEU 19 5.051 -13.689 -13.689 123 1HD1 LEU 19 HD13 LEU 19 2.104 -13.213 -13.213 124 2HD1 LEU 19 HD12 LEU 19 3.126 -13.285 -13.285 125 3HD1 LEU 19 HD11 LEU 19 3.441 -12.079 -12.079 126 1HD2 LEU 19 HD23 LEU 19 3.499 -16.148 -16.148 127 2HD2 LEU 19 HD22 LEU 19 5.002 -15.762 -15.762 128 3HD2 LEU 19 HD21 LEU 19 3.454 -15.332 -15.332 129 H MET 20 HN MET 20 5.566 -14.446 -14.446 130 HA MET 20 HA MET 20 5.811 -17.414 -17.414 131 1HB MET 20 HB2 MET 20 4.530 -16.164 -16.164 132 2HB MET 20 HB1 MET 20 4.388 -17.818 -17.818 133 1HG MET 20 HG2 MET 20 3.323 -15.477 -15.477 134 2HG MET 20 HG1 MET 20 2.360 -16.277 -16.277 135 1HE MET 20 HE2 MET 20 0.702 -16.888 -16.888 136 2HE MET 20 HE1 MET 20 0.568 -18.587 -18.587 137 3HE MET 20 HE3 MET 20 0.503 -17.331 -17.331 138 H LYS 21 HN LYS 21 7.558 -18.248 -18.248 139 HA LYS 21 HA LYS 21 9.324 -16.327 -16.327 140 1HB LYS 21 HB2 LYS 21 10.960 -18.141 -18.141 141 2HB LYS 21 HB1 LYS 21 10.126 -17.860 -17.860 142 1HG LYS 21 HG2 LYS 21 8.823 -19.806 -19.806 143 2HG LYS 21 HG1 LYS 21 9.081 -19.902 -19.902 144 1HD LYS 21 HD2 LYS 21 11.493 -20.394 -20.394 145 2HD LYS 21 HD1 LYS 21 11.155 -20.402 -20.402 146 1HE LYS 21 HE2 LYS 21 9.525 -22.152 -22.152 147 2HE LYS 21 HE1 LYS 21 11.128 -22.687 -22.687 148 1HZ LYS 21 HZ2 LYS 21 10.309 -21.903 -21.903 149 2HZ LYS 21 HZ1 LYS 21 8.752 -22.013 -22.013 150 3HZ LYS 21 HZ3 LYS 21 9.736 -23.391 -23.391 151 H SER 22 HN SER 22 7.160 -18.997 -18.997 152 HA SER 22 HA SER 22 7.571 -18.559 -18.559 153 1HB SER 22 HB2 SER 22 9.382 -20.126 -20.126 154 2HB SER 22 HB1 SER 22 8.094 -21.281 -21.281 155 HG SER 22 HG SER 22 9.149 -21.464 -21.464 156 H TYR 23 HN TYR 23 6.163 -20.364 -20.364 157 HA TYR 23 HA TYR 23 3.790 -21.183 -21.183 158 1HB TYR 23 HB2 TYR 23 2.280 -19.894 -19.894 159 2HB TYR 23 HB1 TYR 23 3.541 -18.792 -18.792 160 HD1 TYR 23 HD1 TYR 23 2.648 -21.048 -21.048 161 HD2 TYR 23 HD2 TYR 23 4.799 -17.563 -17.563 162 HE1 TYR 23 HE1 TYR 23 3.226 -20.525 -20.525 163 HE2 TYR 23 HE2 TYR 23 5.378 -17.044 -17.044 164 HH TYR 23 HH TYR 23 4.087 -18.972 -18.972 165 H PHE 24 HN PHE 24 2.607 -22.908 -22.908 166 HA PHE 24 HA PHE 24 3.553 -23.715 -23.715 167 1HB PHE 24 HB2 PHE 24 4.365 -25.835 -25.835 168 2HB PHE 24 HB1 PHE 24 5.042 -24.661 -24.661 169 HD1 PHE 24 HD1 PHE 24 2.406 -27.235 -27.235 170 HD2 PHE 24 HD2 PHE 24 4.380 -24.613 -24.613 171 HE1 PHE 24 HE1 PHE 24 1.325 -28.418 -28.418 172 HE2 PHE 24 HE2 PHE 24 3.298 -25.800 -25.800 173 HZ PHE 24 HZ PHE 24 1.769 -27.701 -27.701 174 H GLU 25 HN GLU 25 2.079 -25.155 -25.155 175 HA GLU 25 HA GLU 25 -0.652 -25.131 -25.131 176 1HB GLU 25 HB2 GLU 25 0.397 -26.121 -26.121 177 2HB GLU 25 HB1 GLU 25 -1.277 -25.737 -25.737 178 1HG GLU 25 HG2 GLU 25 -0.279 -23.380 -23.380 179 2HG GLU 25 HG1 GLU 25 1.042 -23.879 -23.879 180 H THR 26 HN THR 26 -1.787 -27.075 -27.075 181 HA THR 26 HA THR 26 -0.211 -29.331 -29.331 182 HB THR 26 HB THR 26 -2.422 -30.276 -30.276 183 HG1 THR 26 HG1 THR 26 -4.178 -29.595 -29.595 184 1HG2 THR 26 HG23 THR 26 -1.528 -27.658 -27.658 185 2HG2 THR 26 HG22 THR 26 -3.292 -27.676 -27.676 186 3HG2 THR 26 HG21 THR 26 -2.429 -28.841 -28.841 187 H SER 27 HN SER 27 -1.069 -31.633 -31.633 188 HA SER 27 HA SER 27 -0.383 -31.785 -31.785 189 1HB SER 27 HB2 SER 27 -1.242 -33.880 -33.880 190 2HB SER 27 HB1 SER 27 -0.475 -34.205 -34.205 191 HG SER 27 HG SER 27 0.609 -33.260 -33.260 192 H SER 28 HN SER 28 -1.817 -32.370 -32.370 193 HA SER 28 HA SER 28 -4.604 -31.727 -31.727 194 1HB SER 28 HB2 SER 28 -3.456 -31.426 -31.426 195 2HB SER 28 HB1 SER 28 -2.978 -33.122 -33.122 196 HG SER 28 HG SER 28 -4.765 -33.435 -33.435 197 H GLU 29 HN GLU 29 -2.877 -34.485 -34.485 198 HA GLU 29 HA GLU 29 -4.818 -36.539 -36.539 199 1HB GLU 29 HB2 GLU 29 -2.228 -36.496 -36.496 200 2HB GLU 29 HB1 GLU 29 -2.933 -36.776 -36.776 201 1HG GLU 29 HG2 GLU 29 -3.353 -38.929 -38.929 202 2HG GLU 29 HG1 GLU 29 -4.230 -38.452 -38.452 203 H CYS 30 HN CYS 30 -4.486 -34.198 -34.198 204 HA CYS 30 HA CYS 30 -6.094 -35.570 -35.570 205 1HB CYS 30 HB2 CYS 30 -4.696 -33.056 -33.056 206 2HB CYS 30 HB1 CYS 30 -6.247 -32.792 -32.792 207 H SER 31 HN SER 31 -8.317 -35.275 -35.275 208 HA SER 31 HA SER 31 -10.097 -34.873 -34.873 209 1HB SER 31 HB2 SER 31 -10.187 -35.917 -35.917 210 2HB SER 31 HB1 SER 31 -11.109 -34.429 -34.429 211 HG SER 31 HG SER 31 -11.638 -35.963 -35.963 212 H LYS 32 HN LYS 32 -8.417 -32.574 -32.574 213 HA LYS 32 HA LYS 32 -10.090 -30.398 -30.398 214 1HB LYS 32 HB2 LYS 32 -10.246 -31.356 -31.356 215 2HB LYS 32 HB1 LYS 32 -9.473 -29.772 -29.772 216 1HG LYS 32 HG2 LYS 32 -11.609 -29.590 -29.590 217 2HG LYS 32 HG1 LYS 32 -12.245 -30.397 -30.397 218 1HD LYS 32 HD2 LYS 32 -12.247 -28.455 -28.455 219 2HD LYS 32 HD1 LYS 32 -10.532 -28.221 -28.221 220 1HE LYS 32 HE2 LYS 32 -11.555 -26.340 -26.340 221 2HE LYS 32 HE1 LYS 32 -11.363 -27.474 -27.474 222 1HZ LYS 32 HZ2 LYS 32 -13.776 -27.258 -27.258 223 2HZ LYS 32 HZ1 LYS 32 -13.648 -26.611 -26.611 224 3HZ LYS 32 HZ3 LYS 32 -13.591 -28.291 -28.291 225 HA PRO 33 HA PRO 33 -5.917 -28.923 -28.923 226 1HB PRO 33 HB2 PRO 33 -6.576 -26.539 -26.539 227 2HB PRO 33 HB1 PRO 33 -6.597 -28.082 -28.082 228 1HG PRO 33 HG2 PRO 33 -8.854 -26.536 -26.536 229 2HG PRO 33 HG1 PRO 33 -8.784 -27.435 -27.435 230 1HD PRO 33 HD2 PRO 33 -9.974 -28.386 -28.386 231 2HD PRO 33 HD1 PRO 33 -9.270 -29.432 -29.432 232 H GLY 34 HN GLY 34 -5.009 -26.445 -26.445 233 1HA GLY 34 HA2 GLY 34 -6.005 -24.592 -24.592 234 2HA GLY 34 HA1 GLY 34 -5.587 -25.905 -25.905 235 H VAL 35 HN VAL 35 -4.385 -23.125 -23.125 236 HA VAL 35 HA VAL 35 -1.604 -23.932 -23.932 237 HB VAL 35 HB VAL 35 -3.161 -21.348 -21.348 238 1HG1 VAL 35 HG13 VAL 35 -0.244 -21.781 -21.781 239 2HG1 VAL 35 HG12 VAL 35 -0.714 -20.552 -20.552 240 3HG1 VAL 35 HG11 VAL 35 -1.231 -20.409 -20.409 241 1HG2 VAL 35 HG22 VAL 35 -2.544 -23.153 -23.153 242 2HG2 VAL 35 HG21 VAL 35 -3.234 -21.540 -21.540 243 3HG2 VAL 35 HG23 VAL 35 -1.487 -21.765 -21.765 244 H ILE 36 HN ILE 36 -0.354 -24.489 -24.489 245 HA ILE 36 HA ILE 36 -1.065 -23.260 -23.260 246 HB ILE 36 HB ILE 36 0.344 -25.739 -25.739 247 1HG1 ILE 36 HG12 ILE 36 -1.928 -24.986 -24.986 248 2HG1 ILE 36 HG11 ILE 36 -1.926 -26.106 -26.106 249 1HG2 ILE 36 HG23 ILE 36 1.912 -24.689 -24.689 250 2HG2 ILE 36 HG22 ILE 36 0.606 -24.561 -24.561 251 3HG2 ILE 36 HG21 ILE 36 1.185 -26.148 -26.148 252 1HD1 ILE 36 HD12 ILE 36 -0.501 -26.566 -26.566 253 2HD1 ILE 36 HD11 ILE 36 -2.033 -27.303 -27.303 254 3HD1 ILE 36 HD13 ILE 36 -0.557 -27.694 -27.694 255 H PHE 37 HN PHE 37 0.265 -21.777 -21.777 256 HA PHE 37 HA PHE 37 2.726 -21.003 -21.003 257 1HB PHE 37 HB2 PHE 37 1.116 -19.780 -19.780 258 2HB PHE 37 HB1 PHE 37 2.568 -19.041 -19.041 259 HD1 PHE 37 HD1 PHE 37 -0.854 -20.237 -20.237 260 HD2 PHE 37 HD2 PHE 37 2.484 -17.780 -17.780 261 HE1 PHE 37 HE1 PHE 37 -2.213 -19.224 -19.224 262 HE2 PHE 37 HE2 PHE 37 1.126 -16.773 -16.773 263 HZ PHE 37 HZ PHE 37 -1.223 -17.492 -17.492 264 H LEU 38 HN LEU 38 4.772 -21.351 -21.351 265 HA LEU 38 HA LEU 38 4.944 -22.817 -22.817 266 1HB LEU 38 HB2 LEU 38 6.185 -22.954 -22.954 267 2HB LEU 38 HB1 LEU 38 7.436 -22.561 -22.561 268 HG LEU 38 HG LEU 38 5.443 -24.748 -24.748 269 1HD1 LEU 38 HD13 LEU 38 7.251 -24.747 -24.747 270 2HD1 LEU 38 HD12 LEU 38 7.950 -25.794 -25.794 271 3HD1 LEU 38 HD11 LEU 38 6.325 -26.110 -26.110 272 1HD2 LEU 38 HD22 LEU 38 7.515 -23.566 -23.566 273 2HD2 LEU 38 HD21 LEU 38 6.773 -25.125 -25.125 274 3HD2 LEU 38 HD23 LEU 38 8.237 -25.051 -25.051 275 H THR 39 HN THR 39 5.509 -21.595 -21.595 276 HA THR 39 HA THR 39 6.610 -18.887 -18.887 277 HB THR 39 HB THR 39 5.908 -18.523 -18.523 278 HG1 THR 39 HG1 THR 39 6.333 -19.949 -19.949 279 1HG2 THR 39 HG21 THR 39 4.151 -19.678 -19.678 280 2HG2 THR 39 HG23 THR 39 3.956 -20.695 -20.695 281 3HG2 THR 39 HG22 THR 39 3.695 -18.954 -18.954 282 H LYS 40 HN LYS 40 8.498 -18.182 -18.182 283 HA LYS 40 HA LYS 40 10.774 -19.898 -19.898 284 1HB LYS 40 HB2 LYS 40 10.658 -17.368 -17.368 285 2HB LYS 40 HB1 LYS 40 10.460 -17.502 -17.502 286 1HG LYS 40 HG2 LYS 40 12.615 -18.999 -18.999 287 2HG LYS 40 HG1 LYS 40 12.853 -18.173 -18.173 288 1HD LYS 40 HD2 LYS 40 12.606 -15.984 -15.984 289 2HD LYS 40 HD1 LYS 40 12.562 -16.882 -16.882 290 1HE LYS 40 HE2 LYS 40 14.831 -17.478 -17.478 291 2HE LYS 40 HE1 LYS 40 14.868 -15.928 -15.928 292 1HZ LYS 40 HZ3 LYS 40 14.085 -17.441 -17.441 293 2HZ LYS 40 HZ2 LYS 40 14.847 -18.664 -18.664 294 3HZ LYS 40 HZ1 LYS 40 15.733 -17.311 -17.311 295 H LYS 41 HN LYS 41 8.564 -19.395 -19.395 296 HA LYS 41 HA LYS 41 10.224 -20.574 -20.574 297 1HB LYS 41 HB2 LYS 41 7.615 -19.411 -19.411 298 2HB LYS 41 HB1 LYS 41 7.461 -20.911 -20.911 299 1HG LYS 41 HG2 LYS 41 9.280 -20.119 -20.119 300 2HG LYS 41 HG1 LYS 41 9.302 -18.587 -18.587 301 1HD LYS 41 HD2 LYS 41 7.784 -17.968 -17.968 302 2HD LYS 41 HD1 LYS 41 6.647 -18.797 -18.797 303 1HE LYS 41 HE2 LYS 41 7.146 -20.925 -20.925 304 2HE LYS 41 HE1 LYS 41 7.994 -19.895 -19.895 305 1HZ LYS 41 HZ2 LYS 41 5.826 -18.466 -18.466 306 2HZ LYS 41 HZ1 LYS 41 5.142 -19.961 -19.961 307 3HZ LYS 41 HZ3 LYS 41 5.867 -19.768 -19.768 308 H GLY 42 HN GLY 42 8.619 -21.911 -21.911 309 1HA GLY 42 HA2 GLY 42 8.838 -24.242 -24.242 310 2HA GLY 42 HA1 GLY 42 9.011 -24.641 -24.641 311 H ARG 43 HN ARG 43 6.503 -22.405 -22.405 312 HA ARG 43 HA ARG 43 4.482 -24.478 -24.478 313 1HB ARG 43 HB2 ARG 43 4.940 -21.849 -21.849 314 2HB ARG 43 HB1 ARG 43 3.621 -21.701 -21.701 315 1HG ARG 43 HG2 ARG 43 2.568 -22.046 -22.046 316 2HG ARG 43 HG1 ARG 43 2.476 -23.600 -23.600 317 1HD ARG 43 HD2 ARG 43 3.646 -24.577 -24.577 318 2HD ARG 43 HD1 ARG 43 4.976 -23.428 -23.428 319 HE ARG 43 HE ARG 43 3.922 -21.947 -21.947 320 1HH1 ARG 43 HH11 ARG 43 1.293 -23.631 -23.631 321 2HH1 ARG 43 HH12 ARG 43 0.692 -24.048 -24.048 322 1HH2 ARG 43 HH21 ARG 43 3.559 -23.026 -23.026 323 2HH2 ARG 43 HH22 ARG 43 1.976 -23.709 -23.709 324 H GLN 44 HN GLN 44 2.250 -23.899 -23.899 325 HA GLN 44 HA GLN 44 2.727 -23.292 -23.292 326 1HB GLN 44 HB2 GLN 44 1.419 -25.848 -25.848 327 2HB GLN 44 HB1 GLN 44 1.803 -25.425 -25.425 328 1HG GLN 44 HG2 GLN 44 4.251 -25.240 -25.240 329 2HG GLN 44 HG1 GLN 44 3.701 -26.122 -26.122 330 1HE2 GLN 44 HE21 GLN 44 5.064 -26.621 -26.621 331 2HE2 GLN 44 HE22 GLN 44 4.519 -28.200 -28.200 332 H VAL 45 HN VAL 45 0.894 -22.408 -22.408 333 HA VAL 45 HA VAL 45 -1.583 -22.243 -22.243 334 HB VAL 45 HB VAL 45 -0.252 -20.289 -20.289 335 1HG1 VAL 45 HG13 VAL 45 -2.969 -20.240 -20.240 336 2HG1 VAL 45 HG12 VAL 45 -2.166 -18.771 -18.771 337 3HG1 VAL 45 HG11 VAL 45 -2.593 -20.034 -20.034 338 1HG2 VAL 45 HG21 VAL 45 -0.737 -20.393 -20.393 339 2HG2 VAL 45 HG23 VAL 45 0.794 -20.184 -20.184 340 3HG2 VAL 45 HG22 VAL 45 -0.388 -18.875 -18.875 341 H CYS 46 HN CYS 46 -3.576 -21.771 -21.771 342 HA CYS 46 HA CYS 46 -3.269 -23.216 -23.216 343 1HB CYS 46 HB2 CYS 46 -5.267 -23.693 -23.693 344 2HB CYS 46 HB1 CYS 46 -5.418 -24.396 -24.396 345 H ALA 47 HN ALA 47 -3.969 -21.747 -21.747 346 HA ALA 47 HA ALA 47 -6.391 -20.103 -20.103 347 1HB ALA 47 HB3 ALA 47 -3.915 -19.117 -19.117 348 2HB ALA 47 HB2 ALA 47 -4.293 -19.146 -19.146 349 3HB ALA 47 HB1 ALA 47 -5.304 -18.218 -18.218 350 H LYS 48 HN LYS 48 -7.661 -19.487 -19.487 351 HA LYS 48 HA LYS 48 -8.201 -21.646 -21.646 352 1HB LYS 48 HB2 LYS 48 -9.082 -18.945 -18.945 353 2HB LYS 48 HB1 LYS 48 -9.057 -19.219 -19.219 354 1HG LYS 48 HG2 LYS 48 -10.222 -21.495 -21.495 355 2HG LYS 48 HG1 LYS 48 -10.648 -20.632 -20.632 356 1HD LYS 48 HD2 LYS 48 -11.300 -18.743 -18.743 357 2HD LYS 48 HD1 LYS 48 -11.578 -20.187 -20.187 358 1HE LYS 48 HE2 LYS 48 -13.593 -20.358 -20.358 359 2HE LYS 48 HE1 LYS 48 -12.707 -20.772 -20.772 360 1HZ LYS 48 HZ2 LYS 48 -12.348 -18.293 -18.293 361 2HZ LYS 48 HZ1 LYS 48 -13.540 -18.087 -18.087 362 3HZ LYS 48 HZ3 LYS 48 -13.934 -18.841 -18.841 363 HA PRO 49 HA PRO 49 -5.464 -21.034 -21.034 364 1HB PRO 49 HB2 PRO 49 -7.076 -20.958 -20.958 365 2HB PRO 49 HB1 PRO 49 -6.771 -22.441 -22.441 366 1HG PRO 49 HG2 PRO 49 -9.126 -20.618 -20.618 367 2HG PRO 49 HG1 PRO 49 -9.065 -22.382 -22.382 368 1HD PRO 49 HD2 PRO 49 -9.412 -20.739 -20.739 369 2HD PRO 49 HD1 PRO 49 -8.691 -22.359 -22.359 370 H SER 50 HN SER 50 -8.218 -18.797 -18.797 371 HA SER 50 HA SER 50 -6.375 -16.640 -16.640 372 1HB SER 50 HB2 SER 50 -9.265 -16.914 -16.914 373 2HB SER 50 HB1 SER 50 -7.999 -15.945 -15.945 374 HG SER 50 HG SER 50 -8.470 -17.927 -17.927 375 H GLY 51 HN GLY 51 -7.151 -17.198 -17.198 376 1HA GLY 51 HA2 GLY 51 -9.402 -15.642 -15.642 377 2HA GLY 51 HA1 GLY 51 -8.047 -16.106 -16.106 378 HA PRO 52 HA PRO 52 -7.945 -11.540 -11.540 379 1HB PRO 52 HB2 PRO 52 -9.047 -10.386 -10.386 380 2HB PRO 52 HB1 PRO 52 -9.997 -10.836 -10.836 381 1HG PRO 52 HG2 PRO 52 -9.660 -12.278 -12.278 382 2HG PRO 52 HG1 PRO 52 -11.114 -12.057 -12.057 383 1HD PRO 52 HD2 PRO 52 -9.666 -14.359 -14.359 384 2HD PRO 52 HD1 PRO 52 -10.582 -13.801 -13.801 385 H GLY 53 HN GLY 53 -5.677 -11.827 -11.827 386 1HA GLY 53 HA2 GLY 53 -3.992 -10.622 -10.622 387 2HA GLY 53 HA1 GLY 53 -4.756 -11.442 -11.442 388 H VAL 54 HN VAL 54 -5.104 -13.909 -13.909 389 HA VAL 54 HA VAL 54 -2.736 -15.303 -15.303 390 HB VAL 54 HB VAL 54 -4.960 -15.849 -15.849 391 1HG1 VAL 54 HG12 VAL 54 -2.760 -17.090 -17.090 392 2HG1 VAL 54 HG11 VAL 54 -3.018 -17.900 -17.900 393 3HG1 VAL 54 HG13 VAL 54 -4.191 -18.092 -18.092 394 1HG2 VAL 54 HG22 VAL 54 -4.429 -16.413 -16.413 395 2HG2 VAL 54 HG21 VAL 54 -5.934 -15.945 -15.945 396 3HG2 VAL 54 HG23 VAL 54 -5.345 -17.603 -17.603 397 H GLN 55 HN GLN 55 -3.739 -13.982 -13.982 398 HA GLN 55 HA GLN 55 -1.374 -14.885 -14.885 399 1HB GLN 55 HB2 GLN 55 -3.817 -13.471 -13.471 400 2HB GLN 55 HB1 GLN 55 -2.491 -12.500 -12.500 401 1HG GLN 55 HG2 GLN 55 -3.095 -13.975 -13.975 402 2HG GLN 55 HG1 GLN 55 -1.631 -14.667 -14.667 403 1HE2 GLN 55 HE21 GLN 55 -2.757 -16.673 -16.673 404 2HE2 GLN 55 HE22 GLN 55 -3.800 -17.583 -17.583 405 H ASP 56 HN ASP 56 -2.172 -12.092 -12.092 406 HA ASP 56 HA ASP 56 0.060 -10.434 -10.434 407 1HB ASP 56 HB2 ASP 56 -2.071 -10.576 -10.576 408 2HB ASP 56 HB1 ASP 56 -0.593 -9.813 -9.813 409 H CYS 57 HN CYS 57 -0.434 -12.972 -12.972 410 HA CYS 57 HA CYS 57 2.085 -12.643 -12.643 411 1HB CYS 57 HB2 CYS 57 0.144 -14.929 -14.929 412 2HB CYS 57 HB1 CYS 57 1.585 -15.101 -15.101 413 H MET 58 HN MET 58 1.056 -14.751 -14.751 414 HA MET 58 HA MET 58 3.634 -15.984 -15.984 415 1HB MET 58 HB2 MET 58 1.520 -15.547 -15.547 416 2HB MET 58 HB1 MET 58 2.612 -16.918 -16.918 417 1HG MET 58 HG2 MET 58 1.304 -16.925 -16.925 418 2HG MET 58 HG1 MET 58 0.034 -16.367 -16.367 419 1HE MET 58 HE3 MET 58 0.305 -17.275 -17.275 420 2HE MET 58 HE2 MET 58 0.006 -18.986 -18.986 421 3HE MET 58 HE1 MET 58 -1.170 -18.035 -18.035 422 H LYS 59 HN LYS 59 2.228 -12.950 -12.950 423 HA LYS 59 HA LYS 59 4.004 -12.446 -12.446 424 1HB LYS 59 HB2 LYS 59 1.861 -11.255 -11.255 425 2HB LYS 59 HB1 LYS 59 2.691 -10.499 -10.499 426 1HG LYS 59 HG2 LYS 59 4.284 -9.436 -9.436 427 2HG LYS 59 HG1 LYS 59 3.582 -10.275 -10.275 428 1HD LYS 59 HD2 LYS 59 1.483 -9.092 -9.092 429 2HD LYS 59 HD1 LYS 59 2.045 -8.366 -8.366 430 1HE LYS 59 HE2 LYS 59 3.856 -7.205 -7.205 431 2HE LYS 59 HE1 LYS 59 3.204 -7.882 -7.882 432 1HZ LYS 59 HZ2 LYS 59 0.992 -6.947 -6.947 433 2HZ LYS 59 HZ1 LYS 59 1.898 -6.025 -6.025 434 3HZ LYS 59 HZ3 LYS 59 2.133 -5.822 -5.822 435 H LYS 60 HN LYS 60 4.147 -11.587 -11.587 436 HA LYS 60 HA LYS 60 6.690 -10.234 -10.234 437 1HB LYS 60 HB2 LYS 60 5.168 -9.860 -9.860 438 2HB LYS 60 HB1 LYS 60 5.077 -11.585 -11.585 439 1HG LYS 60 HG2 LYS 60 6.555 -10.473 -10.473 440 2HG LYS 60 HG1 LYS 60 7.489 -11.568 -11.568 441 1HD LYS 60 HD2 LYS 60 8.384 -9.787 -9.787 442 2HD LYS 60 HD1 LYS 60 7.169 -8.649 -8.649 443 1HE LYS 60 HE2 LYS 60 9.232 -8.162 -8.162 444 2HE LYS 60 HE1 LYS 60 8.158 -8.976 -8.976 445 1HZ LYS 60 HZ3 LYS 60 9.177 -11.099 -11.099 446 2HZ LYS 60 HZ2 LYS 60 10.265 -10.256 -10.256 447 3HZ LYS 60 HZ1 LYS 60 10.314 -10.043 -10.043 448 H LEU 61 HN LEU 61 5.711 -13.612 -13.612 449 HA LEU 61 HA LEU 61 8.357 -14.557 -14.557 450 1HB LEU 61 HB2 LEU 61 5.836 -15.889 -15.889 451 2HB LEU 61 HB1 LEU 61 7.235 -16.774 -16.774 452 HG LEU 61 HG LEU 61 5.479 -14.833 -14.833 453 1HD1 LEU 61 HD12 LEU 61 5.820 -17.771 -17.771 454 2HD1 LEU 61 HD11 LEU 61 5.704 -17.103 -17.103 455 3HD1 LEU 61 HD13 LEU 61 4.408 -16.823 -16.823 456 1HD2 LEU 61 HD22 LEU 61 8.255 -15.799 -15.799 457 2HD2 LEU 61 HD21 LEU 61 7.492 -14.286 -14.286 458 3HD2 LEU 61 HD23 LEU 61 7.169 -15.766 -15.766 459 H LYS 62 HN LYS 62 7.382 -13.242 -13.242 460 HA LYS 62 HA LYS 62 9.374 -14.843 -14.843 461 1HB LYS 62 HB2 LYS 62 6.820 -15.474 -15.474 462 2HB LYS 62 HB1 LYS 62 6.757 -14.034 -14.034 463 1HG LYS 62 HG2 LYS 62 7.247 -15.752 -15.752 464 2HG LYS 62 HG1 LYS 62 8.830 -15.056 -15.056 465 1HD LYS 62 HD2 LYS 62 9.322 -16.818 -16.818 466 2HD LYS 62 HD1 LYS 62 7.684 -17.458 -17.458 467 1HE LYS 62 HE2 LYS 62 8.061 -18.220 -18.220 468 2HE LYS 62 HE1 LYS 62 9.533 -17.243 -17.243 469 1HZ LYS 62 HZ3 LYS 62 9.263 -19.250 -19.250 470 2HZ LYS 62 HZ2 LYS 62 9.787 -19.716 -19.716 471 3HZ LYS 62 HZ1 LYS 62 10.678 -18.580 -18.580 472 HA PRO 63 HA PRO 63 9.898 -10.340 -10.340 473 1HB PRO 63 HB2 PRO 63 12.627 -10.370 -10.370 474 2HB PRO 63 HB1 PRO 63 11.581 -10.238 -10.238 475 1HG PRO 63 HG2 PRO 63 13.065 -12.581 -12.581 476 2HG PRO 63 HG1 PRO 63 12.713 -12.129 -12.129 477 1HD PRO 63 HD2 PRO 63 11.365 -14.069 -14.069 478 2HD PRO 63 HD1 PRO 63 10.739 -13.256 -13.256 479 H TYR 64 HN TYR 64 10.452 -9.384 -9.384 480 HA TYR 64 HA TYR 64 12.203 -10.672 -10.672 481 1HB TYR 64 HB2 TYR 64 9.692 -11.777 -11.777 482 2HB TYR 64 HB1 TYR 64 9.450 -10.628 -10.628 483 HD1 TYR 64 HD1 TYR 64 11.717 -13.366 -13.366 484 HD2 TYR 64 HD2 TYR 64 10.193 -11.135 -11.135 485 HE1 TYR 64 HE1 TYR 64 12.865 -14.916 -14.916 486 HE2 TYR 64 HE2 TYR 64 11.339 -12.686 -12.686 487 HH TYR 64 HH TYR 64 13.523 -15.196 -15.196 488 H SER 65 HN SER 65 12.045 -8.035 -8.035 489 HA SER 65 HA SER 65 11.272 -6.522 -6.522 490 1HB SER 65 HB2 SER 65 10.651 -4.708 -4.708 491 2HB SER 65 HB1 SER 65 9.530 -6.043 -6.043 492 HG SER 65 HG SER 65 10.263 -5.461 -5.461 493 H ILE 66 HN ILE 66 13.794 -7.079 -7.079 494 HA ILE 66 HA ILE 66 15.222 -4.728 -4.728 495 HB ILE 66 HB ILE 66 17.160 -6.410 -6.410 496 1HG1 ILE 66 HG12 ILE 66 15.092 -8.549 -8.549 497 2HG1 ILE 66 HG11 ILE 66 15.610 -8.036 -8.036 498 1HG2 ILE 66 HG22 ILE 66 15.199 -5.649 -5.649 499 2HG2 ILE 66 HG21 ILE 66 15.013 -7.402 -7.402 500 3HG2 ILE 66 HG23 ILE 66 16.566 -6.673 -6.673 501 1HD1 ILE 66 HD11 ILE 66 17.786 -8.453 -8.453 502 2HD1 ILE 66 HD13 ILE 66 16.924 -9.909 -9.909 503 3HD1 ILE 66 HD12 ILE 66 17.712 -8.894 -8.894 Start of MODEL 13 1 1H HIS 1 HT3 HIS 1 10.758 -35.631 -35.631 2 2H HIS 1 HT2 HIS 1 10.518 -37.215 -37.215 3 3H HIS 1 HT1 HIS 1 9.954 -36.763 -36.763 4 HA HIS 1 HA HIS 1 8.196 -35.524 -35.524 5 1HB HIS 1 HB2 HIS 1 8.865 -38.133 -38.133 6 2HB HIS 1 HB1 HIS 1 7.711 -37.227 -37.227 7 HD1 HIS 1 HD1 HIS 1 6.896 -39.771 -39.771 8 HD2 HIS 1 HD2 HIS 1 6.415 -35.836 -35.836 9 HE1 HIS 1 HE1 HIS 1 5.062 -39.808 -39.808 10 H PHE 2 HN PHE 2 7.192 -35.412 -35.412 11 HA PHE 2 HA PHE 2 9.145 -34.338 -34.338 12 1HB PHE 2 HB2 PHE 2 8.414 -31.985 -31.985 13 2HB PHE 2 HB1 PHE 2 9.086 -32.586 -32.586 14 HD1 PHE 2 HD1 PHE 2 7.365 -33.677 -33.677 15 HD2 PHE 2 HD2 PHE 2 6.298 -30.986 -30.986 16 HE1 PHE 2 HE1 PHE 2 5.231 -33.166 -33.166 17 HE2 PHE 2 HE2 PHE 2 4.162 -30.474 -30.474 18 HZ PHE 2 HZ PHE 2 3.628 -31.565 -31.565 19 H ALA 3 HN ALA 3 8.094 -33.672 -33.672 20 HA ALA 3 HA ALA 3 5.725 -35.151 -35.151 21 1HB ALA 3 HB2 ALA 3 7.722 -33.460 -33.460 22 2HB ALA 3 HB1 ALA 3 6.122 -33.067 -33.067 23 3HB ALA 3 HB3 ALA 3 6.732 -34.719 -34.719 24 H ALA 4 HN ALA 4 3.583 -34.402 -34.402 25 HA ALA 4 HA ALA 4 2.977 -31.605 -31.605 26 1HB ALA 4 HB3 ALA 4 2.109 -34.246 -34.246 27 2HB ALA 4 HB2 ALA 4 0.889 -32.973 -32.973 28 3HB ALA 4 HB1 ALA 4 2.379 -32.723 -32.723 29 H ASP 5 HN ASP 5 1.026 -30.750 -30.750 30 HA ASP 5 HA ASP 5 -0.127 -32.409 -32.409 31 1HB ASP 5 HB2 ASP 5 1.574 -30.215 -30.215 32 2HB ASP 5 HB1 ASP 5 -0.027 -29.519 -29.519 33 H CYS 6 HN CYS 6 -2.271 -31.409 -31.409 34 HA CYS 6 HA CYS 6 -3.708 -29.868 -29.868 35 1HB CYS 6 HB2 CYS 6 -4.446 -32.637 -32.637 36 2HB CYS 6 HB1 CYS 6 -5.480 -31.642 -31.642 37 H CYS 7 HN CYS 7 -5.903 -29.181 -29.181 38 HA CYS 7 HA CYS 7 -6.161 -29.341 -29.341 39 1HB CYS 7 HB2 CYS 7 -5.131 -27.152 -27.152 40 2HB CYS 7 HB1 CYS 7 -6.707 -26.675 -26.675 41 H THR 8 HN THR 8 -8.308 -28.967 -28.967 42 HA THR 8 HA THR 8 -10.406 -29.235 -29.235 43 HB THR 8 HB THR 8 -11.687 -29.588 -29.588 44 HG1 THR 8 HG1 THR 8 -10.343 -29.645 -29.645 45 1HG2 THR 8 HG22 THR 8 -10.793 -31.211 -31.211 46 2HG2 THR 8 HG21 THR 8 -9.916 -31.868 -31.868 47 3HG2 THR 8 HG23 THR 8 -11.677 -31.785 -31.785 48 H SER 9 HN SER 9 -9.218 -27.090 -27.090 49 HA SER 9 HA SER 9 -11.347 -25.102 -25.102 50 1HB SER 9 HB2 SER 9 -10.195 -26.022 -26.022 51 2HB SER 9 HB1 SER 9 -10.807 -24.374 -24.374 52 HG SER 9 HG SER 9 -12.800 -25.151 -25.151 53 H TYR 10 HN TYR 10 -10.239 -22.918 -22.918 54 HA TYR 10 HA TYR 10 -7.407 -22.700 -22.700 55 1HB TYR 10 HB2 TYR 10 -9.717 -21.021 -21.021 56 2HB TYR 10 HB1 TYR 10 -8.016 -20.658 -20.658 57 HD1 TYR 10 HD1 TYR 10 -6.660 -22.965 -22.965 58 HD2 TYR 10 HD2 TYR 10 -10.788 -22.083 -22.083 59 HE1 TYR 10 HE1 TYR 10 -6.649 -24.588 -24.588 60 HE2 TYR 10 HE2 TYR 10 -10.781 -23.701 -23.701 61 HH TYR 10 HH TYR 10 -9.618 -25.288 -25.288 62 H ILE 11 HN ILE 11 -6.954 -20.058 -20.058 63 HA ILE 11 HA ILE 11 -7.081 -19.753 -19.753 64 HB ILE 11 HB ILE 11 -5.774 -17.825 -17.825 65 1HG1 ILE 11 HG12 ILE 11 -7.516 -16.751 -16.751 66 2HG1 ILE 11 HG11 ILE 11 -5.849 -16.487 -16.487 67 1HG2 ILE 11 HG23 ILE 11 -4.874 -20.027 -20.027 68 2HG2 ILE 11 HG22 ILE 11 -5.273 -19.339 -19.339 69 3HG2 ILE 11 HG21 ILE 11 -4.111 -18.526 -18.526 70 1HD1 ILE 11 HD11 ILE 11 -6.082 -18.444 -18.444 71 2HD1 ILE 11 HD13 ILE 11 -7.794 -18.514 -18.514 72 3HD1 ILE 11 HD12 ILE 11 -7.146 -17.093 -17.093 73 H SER 12 HN SER 12 -8.171 -17.953 -17.953 74 HA SER 12 HA SER 12 -10.884 -17.481 -17.481 75 1HB SER 12 HB2 SER 12 -11.344 -17.771 -17.771 76 2HB SER 12 HB1 SER 12 -9.622 -17.925 -17.925 77 HG SER 12 HG SER 12 -10.620 -16.197 -16.197 78 H GLN 13 HN GLN 13 -7.959 -15.909 -15.909 79 HA GLN 13 HA GLN 13 -9.306 -13.305 -13.305 80 1HB GLN 13 HB2 GLN 13 -7.592 -12.181 -12.181 81 2HB GLN 13 HB1 GLN 13 -8.616 -13.279 -13.279 82 1HG GLN 13 HG2 GLN 13 -6.913 -14.991 -14.991 83 2HG GLN 13 HG1 GLN 13 -5.923 -14.063 -14.063 84 1HE2 GLN 13 HE21 GLN 13 -5.025 -11.955 -11.955 85 2HE2 GLN 13 HE22 GLN 13 -4.751 -11.788 -11.788 86 H SER 14 HN SER 14 -7.520 -11.731 -11.731 87 HA SER 14 HA SER 14 -6.468 -12.656 -12.656 88 1HB SER 14 HB2 SER 14 -6.587 -10.305 -10.305 89 2HB SER 14 HB1 SER 14 -4.905 -10.680 -10.680 90 HG SER 14 HG SER 14 -6.088 -10.032 -10.032 91 H ILE 15 HN ILE 15 -4.403 -13.484 -13.484 92 HA ILE 15 HA ILE 15 -3.105 -15.267 -15.267 93 HB ILE 15 HB ILE 15 -2.686 -14.321 -14.321 94 1HG1 ILE 15 HG12 ILE 15 -4.450 -15.967 -15.967 95 2HG1 ILE 15 HG11 ILE 15 -3.134 -16.726 -16.726 96 1HG2 ILE 15 HG23 ILE 15 -0.438 -14.652 -14.652 97 2HG2 ILE 15 HG22 ILE 15 -0.919 -16.277 -16.277 98 3HG2 ILE 15 HG21 ILE 15 -0.801 -15.871 -15.871 99 1HD1 ILE 15 HD11 ILE 15 -2.272 -17.163 -17.163 100 2HD1 ILE 15 HD13 ILE 15 -4.014 -17.160 -17.160 101 3HD1 ILE 15 HD12 ILE 15 -3.306 -18.298 -18.298 102 HA PRO 16 HA PRO 16 -0.307 -12.220 -12.220 103 1HB PRO 16 HB2 PRO 16 1.174 -13.913 -13.913 104 2HB PRO 16 HB1 PRO 16 -0.456 -13.376 -13.376 105 1HG PRO 16 HG2 PRO 16 0.455 -15.972 -15.972 106 2HG PRO 16 HG1 PRO 16 -0.891 -15.614 -15.614 107 1HD PRO 16 HD2 PRO 16 -1.082 -16.131 -16.131 108 2HD PRO 16 HD1 PRO 16 -2.344 -15.409 -15.409 109 H CYS 17 HN CYS 17 0.530 -12.345 -12.345 110 HA CYS 17 HA CYS 17 2.807 -13.926 -13.926 111 1HB CYS 17 HB2 CYS 17 2.125 -11.107 -11.107 112 2HB CYS 17 HB1 CYS 17 3.022 -12.315 -12.315 113 H SER 18 HN SER 18 2.482 -11.254 -11.254 114 HA SER 18 HA SER 18 5.130 -10.146 -10.146 115 1HB SER 18 HB2 SER 18 2.829 -9.424 -9.424 116 2HB SER 18 HB1 SER 18 3.588 -10.168 -10.168 117 HG SER 18 HG SER 18 3.984 -7.792 -7.792 118 H LEU 19 HN LEU 19 4.293 -13.236 -13.236 119 HA LEU 19 HA LEU 19 6.752 -13.473 -13.473 120 1HB LEU 19 HB2 LEU 19 3.916 -14.320 -14.320 121 2HB LEU 19 HB1 LEU 19 5.256 -15.203 -15.203 122 HG LEU 19 HG LEU 19 5.345 -12.230 -12.230 123 1HD1 LEU 19 HD12 LEU 19 2.941 -13.246 -13.246 124 2HD1 LEU 19 HD11 LEU 19 3.739 -13.673 -13.673 125 3HD1 LEU 19 HD13 LEU 19 3.655 -11.985 -11.985 126 1HD2 LEU 19 HD23 LEU 19 6.073 -14.594 -14.594 127 2HD2 LEU 19 HD22 LEU 19 7.150 -13.398 -13.398 128 3HD2 LEU 19 HD21 LEU 19 6.097 -12.944 -12.944 129 H MET 20 HN MET 20 5.217 -14.417 -14.417 130 HA MET 20 HA MET 20 6.031 -17.274 -17.274 131 1HB MET 20 HB2 MET 20 4.852 -15.883 -15.883 132 2HB MET 20 HB1 MET 20 4.678 -17.563 -17.563 133 1HG MET 20 HG2 MET 20 3.595 -15.338 -15.338 134 2HG MET 20 HG1 MET 20 2.668 -15.947 -15.947 135 1HE MET 20 HE3 MET 20 0.936 -16.343 -16.343 136 2HE MET 20 HE2 MET 20 0.705 -18.065 -18.065 137 3HE MET 20 HE1 MET 20 0.634 -17.437 -17.437 138 H LYS 21 HN LYS 21 7.872 -18.015 -18.015 139 HA LYS 21 HA LYS 21 9.610 -16.049 -16.049 140 1HB LYS 21 HB2 LYS 21 11.357 -17.563 -17.563 141 2HB LYS 21 HB1 LYS 21 10.265 -17.624 -17.624 142 1HG LYS 21 HG2 LYS 21 10.260 -19.868 -19.868 143 2HG LYS 21 HG1 LYS 21 9.219 -19.546 -19.546 144 1HD LYS 21 HD2 LYS 21 11.083 -19.536 -19.536 145 2HD LYS 21 HD1 LYS 21 12.241 -19.503 -19.503 146 1HE LYS 21 HE2 LYS 21 11.379 -21.764 -21.764 147 2HE LYS 21 HE1 LYS 21 10.405 -21.799 -21.799 148 1HZ LYS 21 HZ1 LYS 21 13.199 -21.017 -21.017 149 2HZ LYS 21 HZ3 LYS 21 12.924 -22.648 -22.648 150 3HZ LYS 21 HZ2 LYS 21 12.232 -21.973 -21.973 151 H SER 22 HN SER 22 7.595 -18.825 -18.825 152 HA SER 22 HA SER 22 8.159 -18.546 -18.546 153 1HB SER 22 HB2 SER 22 9.574 -20.349 -20.349 154 2HB SER 22 HB1 SER 22 8.243 -21.337 -21.337 155 HG SER 22 HG SER 22 8.834 -20.226 -20.226 156 H TYR 23 HN TYR 23 6.670 -20.256 -20.256 157 HA TYR 23 HA TYR 23 4.211 -20.907 -20.907 158 1HB TYR 23 HB2 TYR 23 2.814 -19.556 -19.556 159 2HB TYR 23 HB1 TYR 23 4.139 -18.520 -18.520 160 HD1 TYR 23 HD1 TYR 23 2.994 -20.700 -20.700 161 HD2 TYR 23 HD2 TYR 23 5.625 -17.538 -17.538 162 HE1 TYR 23 HE1 TYR 23 3.626 -20.304 -20.304 163 HE2 TYR 23 HE2 TYR 23 6.259 -17.143 -17.143 164 HH TYR 23 HH TYR 23 4.850 -17.713 -17.713 165 H PHE 24 HN PHE 24 2.948 -22.571 -22.571 166 HA PHE 24 HA PHE 24 3.962 -23.500 -23.500 167 1HB PHE 24 HB2 PHE 24 4.666 -25.600 -25.600 168 2HB PHE 24 HB1 PHE 24 5.215 -24.497 -24.497 169 HD1 PHE 24 HD1 PHE 24 2.480 -26.875 -26.875 170 HD2 PHE 24 HD2 PHE 24 4.374 -24.639 -24.639 171 HE1 PHE 24 HE1 PHE 24 1.148 -28.110 -28.110 172 HE2 PHE 24 HE2 PHE 24 3.038 -25.881 -25.881 173 HZ PHE 24 HZ PHE 24 1.426 -27.616 -27.616 174 H GLU 25 HN GLU 25 2.394 -24.614 -24.614 175 HA GLU 25 HA GLU 25 -0.360 -24.524 -24.524 176 1HB GLU 25 HB2 GLU 25 0.867 -25.169 -25.169 177 2HB GLU 25 HB1 GLU 25 -0.870 -25.141 -25.141 178 1HG GLU 25 HG2 GLU 25 -0.356 -22.743 -22.743 179 2HG GLU 25 HG1 GLU 25 1.090 -22.864 -22.864 180 H THR 26 HN THR 26 -1.717 -26.490 -26.490 181 HA THR 26 HA THR 26 -0.251 -28.864 -28.864 182 HB THR 26 HB THR 26 -2.566 -29.755 -29.755 183 HG1 THR 26 HG1 THR 26 -3.526 -27.275 -27.275 184 1HG2 THR 26 HG22 THR 26 -2.003 -26.949 -26.949 185 2HG2 THR 26 HG21 THR 26 -3.424 -27.857 -27.857 186 3HG2 THR 26 HG23 THR 26 -1.806 -28.461 -28.461 187 H SER 27 HN SER 27 -1.535 -30.993 -30.993 188 HA SER 27 HA SER 27 -0.673 -30.920 -30.920 189 1HB SER 27 HB2 SER 27 -1.468 -33.223 -33.223 190 2HB SER 27 HB1 SER 27 -0.633 -33.349 -33.349 191 HG SER 27 HG SER 27 1.022 -31.992 -31.992 192 H SER 28 HN SER 28 -2.126 -31.392 -31.392 193 HA SER 28 HA SER 28 -4.921 -30.850 -30.850 194 1HB SER 28 HB2 SER 28 -4.140 -30.310 -30.310 195 2HB SER 28 HB1 SER 28 -3.122 -31.747 -31.747 196 HG SER 28 HG SER 28 -5.659 -31.383 -31.383 197 H GLU 29 HN GLU 29 -3.135 -33.634 -33.634 198 HA GLU 29 HA GLU 29 -5.052 -35.661 -35.661 199 1HB GLU 29 HB2 GLU 29 -2.429 -35.554 -35.554 200 2HB GLU 29 HB1 GLU 29 -3.209 -36.198 -36.198 201 1HG GLU 29 HG2 GLU 29 -3.192 -38.215 -38.215 202 2HG GLU 29 HG1 GLU 29 -4.404 -37.580 -37.580 203 H CYS 30 HN CYS 30 -4.682 -33.577 -33.577 204 HA CYS 30 HA CYS 30 -6.272 -35.139 -35.139 205 1HB CYS 30 HB2 CYS 30 -4.921 -32.542 -32.542 206 2HB CYS 30 HB1 CYS 30 -6.399 -32.474 -32.474 207 H SER 31 HN SER 31 -8.490 -34.891 -34.891 208 HA SER 31 HA SER 31 -10.281 -34.175 -34.175 209 1HB SER 31 HB2 SER 31 -10.618 -34.596 -34.596 210 2HB SER 31 HB1 SER 31 -11.973 -34.439 -34.439 211 HG SER 31 HG SER 31 -9.914 -36.285 -36.285 212 H LYS 32 HN LYS 32 -8.540 -32.178 -32.178 213 HA LYS 32 HA LYS 32 -10.250 -29.854 -29.854 214 1HB LYS 32 HB2 LYS 32 -9.939 -31.119 -31.119 215 2HB LYS 32 HB1 LYS 32 -9.582 -29.392 -29.392 216 1HG LYS 32 HG2 LYS 32 -11.881 -29.648 -29.648 217 2HG LYS 32 HG1 LYS 32 -12.149 -30.721 -30.721 218 1HD LYS 32 HD2 LYS 32 -11.408 -28.787 -28.787 219 2HD LYS 32 HD1 LYS 32 -11.518 -27.761 -27.761 220 1HE LYS 32 HE2 LYS 32 -13.624 -27.745 -27.745 221 2HE LYS 32 HE1 LYS 32 -13.895 -28.356 -28.356 222 1HZ LYS 32 HZ3 LYS 32 -13.068 -30.221 -30.221 223 2HZ LYS 32 HZ2 LYS 32 -14.695 -29.737 -29.737 224 3HZ LYS 32 HZ1 LYS 32 -13.982 -30.524 -30.524 225 HA PRO 33 HA PRO 33 -6.057 -28.439 -28.439 226 1HB PRO 33 HB2 PRO 33 -6.714 -26.000 -26.000 227 2HB PRO 33 HB1 PRO 33 -6.766 -27.500 -27.500 228 1HG PRO 33 HG2 PRO 33 -8.981 -25.963 -25.963 229 2HG PRO 33 HG1 PRO 33 -8.954 -26.856 -26.856 230 1HD PRO 33 HD2 PRO 33 -10.087 -27.784 -27.784 231 2HD PRO 33 HD1 PRO 33 -9.519 -28.824 -28.824 232 H GLY 34 HN GLY 34 -5.029 -26.099 -26.099 233 1HA GLY 34 HA2 GLY 34 -5.956 -24.253 -24.253 234 2HA GLY 34 HA1 GLY 34 -5.571 -25.619 -25.619 235 H VAL 35 HN VAL 35 -4.208 -23.088 -23.088 236 HA VAL 35 HA VAL 35 -1.480 -23.945 -23.945 237 HB VAL 35 HB VAL 35 -1.993 -22.146 -22.146 238 1HG1 VAL 35 HG12 VAL 35 -4.212 -21.718 -21.718 239 2HG1 VAL 35 HG11 VAL 35 -3.420 -20.803 -20.803 240 3HG1 VAL 35 HG13 VAL 35 -3.356 -20.224 -20.224 241 1HG2 VAL 35 HG21 VAL 35 -0.852 -20.932 -20.932 242 2HG2 VAL 35 HG23 VAL 35 0.039 -21.513 -21.513 243 3HG2 VAL 35 HG22 VAL 35 -0.961 -20.066 -20.066 244 H ILE 36 HN ILE 36 -0.014 -24.064 -24.064 245 HA ILE 36 HA ILE 36 -0.827 -22.790 -22.790 246 HB ILE 36 HB ILE 36 0.593 -25.335 -25.335 247 1HG1 ILE 36 HG12 ILE 36 -1.697 -24.614 -24.614 248 2HG1 ILE 36 HG11 ILE 36 -1.813 -25.459 -25.459 249 1HG2 ILE 36 HG22 ILE 36 0.635 -23.996 -23.996 250 2HG2 ILE 36 HG21 ILE 36 1.209 -25.628 -25.628 251 3HG2 ILE 36 HG23 ILE 36 2.032 -24.237 -24.237 252 1HD1 ILE 36 HD12 ILE 36 -0.279 -27.233 -27.233 253 2HD1 ILE 36 HD11 ILE 36 -0.551 -26.448 -26.448 254 3HD1 ILE 36 HD13 ILE 36 -1.906 -27.156 -27.156 255 H PHE 37 HN PHE 37 0.565 -21.298 -21.298 256 HA PHE 37 HA PHE 37 3.074 -20.711 -20.711 257 1HB PHE 37 HB2 PHE 37 1.552 -19.300 -19.300 258 2HB PHE 37 HB1 PHE 37 2.986 -18.651 -18.651 259 HD1 PHE 37 HD1 PHE 37 -0.446 -19.957 -19.957 260 HD2 PHE 37 HD2 PHE 37 2.765 -17.375 -17.375 261 HE1 PHE 37 HE1 PHE 37 -1.869 -19.047 -19.047 262 HE2 PHE 37 HE2 PHE 37 1.338 -16.468 -16.468 263 HZ PHE 37 HZ PHE 37 -0.978 -17.303 -17.303 264 H LEU 38 HN LEU 38 5.099 -21.071 -21.071 265 HA LEU 38 HA LEU 38 5.131 -22.526 -22.526 266 1HB LEU 38 HB2 LEU 38 6.629 -22.483 -22.483 267 2HB LEU 38 HB1 LEU 38 7.702 -22.404 -22.404 268 HG LEU 38 HG LEU 38 7.157 -24.753 -24.753 269 1HD1 LEU 38 HD11 LEU 38 6.611 -23.623 -23.623 270 2HD1 LEU 38 HD13 LEU 38 6.173 -25.310 -25.310 271 3HD1 LEU 38 HD12 LEU 38 7.841 -24.783 -24.783 272 1HD2 LEU 38 HD21 LEU 38 4.700 -23.955 -23.955 273 2HD2 LEU 38 HD23 LEU 38 4.979 -25.592 -25.592 274 3HD2 LEU 38 HD22 LEU 38 4.431 -24.331 -24.331 275 H THR 39 HN THR 39 5.655 -21.388 -21.388 276 HA THR 39 HA THR 39 6.730 -18.648 -18.648 277 HB THR 39 HB THR 39 5.939 -18.396 -18.396 278 HG1 THR 39 HG1 THR 39 6.610 -19.837 -19.837 279 1HG2 THR 39 HG23 THR 39 4.204 -19.306 -19.306 280 2HG2 THR 39 HG22 THR 39 4.170 -20.708 -20.708 281 3HG2 THR 39 HG21 THR 39 3.734 -19.115 -19.115 282 H LYS 40 HN LYS 40 8.752 -18.016 -18.016 283 HA LYS 40 HA LYS 40 10.877 -19.947 -19.947 284 1HB LYS 40 HB2 LYS 40 10.492 -17.143 -17.143 285 2HB LYS 40 HB1 LYS 40 11.500 -17.473 -17.473 286 1HG LYS 40 HG2 LYS 40 12.031 -18.271 -18.271 287 2HG LYS 40 HG1 LYS 40 12.989 -17.185 -17.185 288 1HD LYS 40 HD2 LYS 40 12.860 -19.529 -19.529 289 2HD LYS 40 HD1 LYS 40 13.052 -20.101 -20.101 290 1HE LYS 40 HE2 LYS 40 15.134 -19.069 -19.069 291 2HE LYS 40 HE1 LYS 40 14.786 -17.844 -17.844 292 1HZ LYS 40 HZ2 LYS 40 14.771 -19.608 -19.608 293 2HZ LYS 40 HZ1 LYS 40 15.155 -20.759 -20.759 294 3HZ LYS 40 HZ3 LYS 40 16.272 -19.546 -19.546 295 H LYS 41 HN LYS 41 8.851 -18.548 -18.548 296 HA LYS 41 HA LYS 41 10.491 -19.303 -19.303 297 1HB LYS 41 HB2 LYS 41 8.651 -17.574 -17.574 298 2HB LYS 41 HB1 LYS 41 7.491 -18.901 -18.901 299 1HG LYS 41 HG2 LYS 41 7.817 -19.456 -19.456 300 2HG LYS 41 HG1 LYS 41 9.524 -19.016 -19.016 301 1HD LYS 41 HD2 LYS 41 8.752 -17.246 -17.246 302 2HD LYS 41 HD1 LYS 41 8.459 -16.571 -16.571 303 1HE LYS 41 HE2 LYS 41 6.238 -18.262 -18.262 304 2HE LYS 41 HE1 LYS 41 6.531 -16.976 -16.976 305 1HZ LYS 41 HZ1 LYS 41 6.449 -16.542 -16.542 306 2HZ LYS 41 HZ3 LYS 41 5.119 -16.285 -16.285 307 3HZ LYS 41 HZ2 LYS 41 6.526 -15.351 -15.351 308 H GLY 42 HN GLY 42 8.819 -21.190 -21.190 309 1HA GLY 42 HA2 GLY 42 8.751 -23.592 -23.592 310 2HA GLY 42 HA1 GLY 42 8.939 -23.520 -23.520 311 H ARG 43 HN ARG 43 6.585 -22.403 -22.403 312 HA ARG 43 HA ARG 43 4.409 -23.693 -23.693 313 1HB ARG 43 HB2 ARG 43 5.133 -20.955 -20.955 314 2HB ARG 43 HB1 ARG 43 3.641 -21.016 -21.016 315 1HG ARG 43 HG2 ARG 43 4.109 -22.275 -22.275 316 2HG ARG 43 HG1 ARG 43 3.114 -20.859 -20.859 317 1HD ARG 43 HD2 ARG 43 1.575 -22.205 -22.205 318 2HD ARG 43 HD1 ARG 43 2.609 -23.632 -23.632 319 HE ARG 43 HE ARG 43 1.947 -22.468 -22.468 320 1HH1 ARG 43 HH11 ARG 43 1.510 -25.093 -25.093 321 2HH1 ARG 43 HH12 ARG 43 0.040 -25.644 -25.644 322 1HH2 ARG 43 HH21 ARG 43 -0.298 -22.861 -22.861 323 2HH2 ARG 43 HH22 ARG 43 -0.984 -24.380 -24.380 324 H GLN 44 HN GLN 44 2.250 -23.288 -23.288 325 HA GLN 44 HA GLN 44 2.748 -22.981 -22.981 326 1HB GLN 44 HB2 GLN 44 1.466 -25.167 -25.167 327 2HB GLN 44 HB1 GLN 44 3.085 -25.323 -25.323 328 1HG GLN 44 HG2 GLN 44 2.052 -25.289 -25.289 329 2HG GLN 44 HG1 GLN 44 0.464 -25.326 -25.326 330 1HE2 GLN 44 HE21 GLN 44 3.552 -27.113 -27.113 331 2HE2 GLN 44 HE22 GLN 44 2.832 -28.650 -28.650 332 H VAL 45 HN VAL 45 1.037 -21.949 -21.949 333 HA VAL 45 HA VAL 45 -1.504 -21.664 -21.664 334 HB VAL 45 HB VAL 45 0.096 -19.879 -19.879 335 1HG1 VAL 45 HG11 VAL 45 -2.841 -20.036 -20.036 336 2HG1 VAL 45 HG13 VAL 45 -2.186 -18.428 -18.428 337 3HG1 VAL 45 HG12 VAL 45 -1.841 -19.239 -19.239 338 1HG2 VAL 45 HG22 VAL 45 -0.970 -19.843 -19.843 339 2HG2 VAL 45 HG21 VAL 45 0.624 -19.382 -19.382 340 3HG2 VAL 45 HG23 VAL 45 -0.751 -18.302 -18.302 341 H CYS 46 HN CYS 46 -3.447 -22.162 -22.162 342 HA CYS 46 HA CYS 46 -3.118 -23.342 -23.342 343 1HB CYS 46 HB2 CYS 46 -4.502 -24.081 -24.081 344 2HB CYS 46 HB1 CYS 46 -5.558 -24.161 -24.161 345 H ALA 47 HN ALA 47 -3.867 -21.977 -21.977 346 HA ALA 47 HA ALA 47 -6.262 -20.285 -20.285 347 1HB ALA 47 HB1 ALA 47 -3.642 -19.774 -19.774 348 2HB ALA 47 HB3 ALA 47 -5.056 -18.921 -18.921 349 3HB ALA 47 HB2 ALA 47 -4.580 -18.726 -18.726 350 H LYS 48 HN LYS 48 -7.742 -19.958 -19.958 351 HA LYS 48 HA LYS 48 -8.372 -22.204 -22.204 352 1HB LYS 48 HB2 LYS 48 -9.301 -19.558 -19.558 353 2HB LYS 48 HB1 LYS 48 -9.287 -19.768 -19.768 354 1HG LYS 48 HG2 LYS 48 -10.345 -22.148 -22.148 355 2HG LYS 48 HG1 LYS 48 -10.932 -21.135 -21.135 356 1HD LYS 48 HD2 LYS 48 -11.473 -19.497 -19.497 357 2HD LYS 48 HD1 LYS 48 -11.599 -21.049 -21.049 358 1HE LYS 48 HE2 LYS 48 -13.013 -20.504 -20.504 359 2HE LYS 48 HE1 LYS 48 -13.772 -20.203 -20.203 360 1HZ LYS 48 HZ3 LYS 48 -12.733 -22.603 -22.603 361 2HZ LYS 48 HZ2 LYS 48 -13.004 -22.730 -22.730 362 3HZ LYS 48 HZ1 LYS 48 -14.296 -22.390 -22.390 363 HA PRO 49 HA PRO 49 -5.853 -21.878 -21.878 364 1HB PRO 49 HB2 PRO 49 -7.623 -22.269 -22.269 365 2HB PRO 49 HB1 PRO 49 -7.098 -23.571 -23.571 366 1HG PRO 49 HG2 PRO 49 -9.613 -21.965 -21.965 367 2HG PRO 49 HG1 PRO 49 -9.377 -23.693 -23.693 368 1HD PRO 49 HD2 PRO 49 -9.718 -21.863 -21.863 369 2HD PRO 49 HD1 PRO 49 -8.782 -23.359 -23.359 370 H SER 50 HN SER 50 -8.824 -19.944 -19.944 371 HA SER 50 HA SER 50 -7.352 -17.863 -17.863 372 1HB SER 50 HB2 SER 50 -10.222 -18.813 -18.813 373 2HB SER 50 HB1 SER 50 -9.773 -17.258 -17.258 374 HG SER 50 HG SER 50 -9.530 -19.707 -19.707 375 H GLY 51 HN GLY 51 -7.781 -18.378 -18.378 376 1HA GLY 51 HA2 GLY 51 -9.540 -16.598 -16.598 377 2HA GLY 51 HA1 GLY 51 -7.929 -16.921 -16.921 378 HA PRO 52 HA PRO 52 -8.416 -12.637 -12.637 379 1HB PRO 52 HB2 PRO 52 -9.450 -11.116 -11.116 380 2HB PRO 52 HB1 PRO 52 -10.454 -11.894 -11.894 381 1HG PRO 52 HG2 PRO 52 -9.850 -12.777 -12.777 382 2HG PRO 52 HG1 PRO 52 -11.383 -12.817 -12.817 383 1HD PRO 52 HD2 PRO 52 -9.820 -15.009 -15.009 384 2HD PRO 52 HD1 PRO 52 -10.836 -14.764 -14.764 385 H GLY 53 HN GLY 53 -6.142 -12.565 -12.565 386 1HA GLY 53 HA2 GLY 53 -4.440 -11.069 -11.069 387 2HA GLY 53 HA1 GLY 53 -5.073 -11.584 -11.584 388 H VAL 54 HN VAL 54 -5.344 -14.409 -14.409 389 HA VAL 54 HA VAL 54 -2.834 -15.433 -15.433 390 HB VAL 54 HB VAL 54 -5.064 -16.623 -16.623 391 1HG1 VAL 54 HG11 VAL 54 -2.739 -17.792 -17.792 392 2HG1 VAL 54 HG13 VAL 54 -3.117 -18.188 -18.188 393 3HG1 VAL 54 HG12 VAL 54 -4.162 -18.763 -18.763 394 1HG2 VAL 54 HG21 VAL 54 -5.606 -15.722 -15.722 395 2HG2 VAL 54 HG23 VAL 54 -5.942 -17.438 -17.438 396 3HG2 VAL 54 HG22 VAL 54 -4.497 -16.931 -16.931 397 H GLN 55 HN GLN 55 -4.132 -15.034 -15.034 398 HA GLN 55 HA GLN 55 -1.803 -16.129 -16.129 399 1HB GLN 55 HB2 GLN 55 -4.159 -15.811 -15.811 400 2HB GLN 55 HB1 GLN 55 -3.801 -14.088 -14.088 401 1HG GLN 55 HG2 GLN 55 -2.804 -14.457 -14.457 402 2HG GLN 55 HG1 GLN 55 -1.619 -15.488 -15.488 403 1HE2 GLN 55 HE21 GLN 55 -2.453 -17.837 -17.837 404 2HE2 GLN 55 HE22 GLN 55 -3.412 -18.530 -18.530 405 H ASP 56 HN ASP 56 -2.797 -12.840 -12.840 406 HA ASP 56 HA ASP 56 -0.571 -11.483 -11.483 407 1HB ASP 56 HB2 ASP 56 -2.827 -10.621 -10.621 408 2HB ASP 56 HB1 ASP 56 -1.991 -10.649 -10.649 409 H CYS 57 HN CYS 57 -1.008 -13.339 -13.339 410 HA CYS 57 HA CYS 57 1.289 -12.383 -12.383 411 1HB CYS 57 HB2 CYS 57 -0.729 -13.746 -13.746 412 2HB CYS 57 HB1 CYS 57 0.049 -15.150 -15.150 413 H MET 58 HN MET 58 0.794 -15.287 -15.287 414 HA MET 58 HA MET 58 3.564 -16.099 -16.099 415 1HB MET 58 HB2 MET 58 1.501 -16.639 -16.639 416 2HB MET 58 HB1 MET 58 2.859 -17.660 -17.660 417 1HG MET 58 HG2 MET 58 1.764 -17.735 -17.735 418 2HG MET 58 HG1 MET 58 0.326 -17.090 -17.090 419 1HE MET 58 HE3 MET 58 -0.297 -17.745 -17.745 420 2HE MET 58 HE2 MET 58 0.388 -19.086 -19.086 421 3HE MET 58 HE1 MET 58 -1.108 -19.319 -19.319 422 H LYS 59 HN LYS 59 1.770 -13.783 -13.783 423 HA LYS 59 HA LYS 59 3.548 -13.600 -13.600 424 1HB LYS 59 HB2 LYS 59 1.160 -12.468 -12.468 425 2HB LYS 59 HB1 LYS 59 2.276 -11.106 -11.106 426 1HG LYS 59 HG2 LYS 59 2.071 -13.072 -13.072 427 2HG LYS 59 HG1 LYS 59 0.926 -11.738 -11.738 428 1HD LYS 59 HD2 LYS 59 3.064 -10.262 -10.262 429 2HD LYS 59 HD1 LYS 59 3.902 -11.634 -11.634 430 1HE LYS 59 HE2 LYS 59 2.185 -11.529 -11.529 431 2HE LYS 59 HE1 LYS 59 1.677 -9.968 -9.968 432 1HZ LYS 59 HZ2 LYS 59 4.117 -9.381 -9.381 433 2HZ LYS 59 HZ1 LYS 59 4.371 -10.752 -10.752 434 3HZ LYS 59 HZ3 LYS 59 3.395 -9.484 -9.484 435 H LYS 60 HN LYS 60 3.354 -11.777 -11.777 436 HA LYS 60 HA LYS 60 5.665 -10.125 -10.125 437 1HB LYS 60 HB2 LYS 60 3.589 -10.376 -10.376 438 2HB LYS 60 HB1 LYS 60 5.059 -10.666 -10.666 439 1HG LYS 60 HG2 LYS 60 4.517 -8.272 -8.272 440 2HG LYS 60 HG1 LYS 60 4.547 -8.269 -8.269 441 1HD LYS 60 HD2 LYS 60 6.923 -9.003 -9.003 442 2HD LYS 60 HD1 LYS 60 6.881 -8.917 -8.917 443 1HE LYS 60 HE2 LYS 60 7.551 -6.751 -6.751 444 2HE LYS 60 HE1 LYS 60 5.882 -6.437 -6.437 445 1HZ LYS 60 HZ2 LYS 60 6.580 -7.210 -7.210 446 2HZ LYS 60 HZ1 LYS 60 8.189 -7.201 -7.201 447 3HZ LYS 60 HZ3 LYS 60 7.307 -5.754 -5.754 448 H LEU 61 HN LEU 61 5.206 -13.363 -13.363 449 HA LEU 61 HA LEU 61 7.838 -13.534 -13.534 450 1HB LEU 61 HB2 LEU 61 5.412 -14.988 -14.988 451 2HB LEU 61 HB1 LEU 61 6.668 -16.072 -16.072 452 HG LEU 61 HG LEU 61 7.978 -15.783 -15.783 453 1HD1 LEU 61 HD11 LEU 61 6.248 -13.409 -13.409 454 2HD1 LEU 61 HD13 LEU 61 6.561 -14.277 -14.277 455 3HD1 LEU 61 HD12 LEU 61 7.906 -13.665 -13.665 456 1HD2 LEU 61 HD21 LEU 61 5.071 -16.391 -16.391 457 2HD2 LEU 61 HD23 LEU 61 6.468 -17.430 -17.430 458 3HD2 LEU 61 HD22 LEU 61 6.016 -16.222 -16.222 459 H LYS 62 HN LYS 62 7.063 -13.263 -13.263 460 HA LYS 62 HA LYS 62 8.408 -15.351 -15.351 461 1HB LYS 62 HB2 LYS 62 7.453 -12.646 -12.646 462 2HB LYS 62 HB1 LYS 62 8.935 -12.964 -12.964 463 1HG LYS 62 HG2 LYS 62 7.089 -15.228 -15.228 464 2HG LYS 62 HG1 LYS 62 6.369 -13.759 -13.759 465 1HD LYS 62 HD2 LYS 62 8.506 -13.471 -13.471 466 2HD LYS 62 HD1 LYS 62 8.938 -15.107 -15.107 467 1HE LYS 62 HE2 LYS 62 7.025 -16.047 -16.047 468 2HE LYS 62 HE1 LYS 62 6.302 -14.445 -14.445 469 1HZ LYS 62 HZ3 LYS 62 8.367 -13.860 -13.860 470 2HZ LYS 62 HZ2 LYS 62 8.817 -15.496 -15.496 471 3HZ LYS 62 HZ1 LYS 62 7.407 -15.035 -15.035 472 HA PRO 63 HA PRO 63 12.545 -14.608 -14.608 473 1HB PRO 63 HB2 PRO 63 13.773 -16.462 -16.462 474 2HB PRO 63 HB1 PRO 63 12.862 -16.893 -16.893 475 1HG PRO 63 HG2 PRO 63 12.044 -17.025 -17.025 476 2HG PRO 63 HG1 PRO 63 11.702 -18.149 -18.149 477 1HD PRO 63 HD2 PRO 63 9.905 -16.315 -16.315 478 2HD PRO 63 HD1 PRO 63 9.895 -16.941 -16.941 479 H TYR 64 HN TYR 64 14.640 -13.895 -13.895 480 HA TYR 64 HA TYR 64 14.440 -12.970 -12.970 481 1HB TYR 64 HB2 TYR 64 14.357 -11.350 -11.350 482 2HB TYR 64 HB1 TYR 64 15.418 -10.739 -10.739 483 HD1 TYR 64 HD1 TYR 64 11.931 -11.803 -11.803 484 HD2 TYR 64 HD2 TYR 64 14.537 -9.767 -9.767 485 HE1 TYR 64 HE1 TYR 64 9.961 -10.944 -10.944 486 HE2 TYR 64 HE2 TYR 64 12.566 -8.906 -8.906 487 HH TYR 64 HH TYR 64 9.991 -8.442 -8.442 488 H SER 65 HN SER 65 16.153 -14.703 -14.703 489 HA SER 65 HA SER 65 18.749 -13.978 -13.978 490 1HB SER 65 HB2 SER 65 19.360 -12.939 -12.939 491 2HB SER 65 HB1 SER 65 17.915 -13.509 -13.509 492 HG SER 65 HG SER 65 19.909 -14.320 -14.320 493 H ILE 66 HN ILE 66 20.378 -15.752 -15.752 494 HA ILE 66 HA ILE 66 20.949 -18.045 -18.045 495 HB ILE 66 HB ILE 66 18.707 -17.976 -17.976 496 1HG1 ILE 66 HG12 ILE 66 20.777 -16.640 -16.640 497 2HG1 ILE 66 HG11 ILE 66 20.525 -17.951 -17.951 498 1HG2 ILE 66 HG21 ILE 66 20.438 -20.201 -20.201 499 2HG2 ILE 66 HG23 ILE 66 20.081 -20.140 -20.140 500 3HG2 ILE 66 HG22 ILE 66 18.765 -20.246 -20.246 501 1HD1 ILE 66 HD13 ILE 66 21.992 -19.071 -19.071 502 2HD1 ILE 66 HD12 ILE 66 22.751 -17.517 -17.517 503 3HD1 ILE 66 HD11 ILE 66 22.581 -18.719 -18.719 Start of MODEL 14 1 1H HIS 1 HT3 HIS 1 10.670 -38.566 -38.566 2 2H HIS 1 HT2 HIS 1 11.940 -37.734 -37.734 3 3H HIS 1 HT1 HIS 1 11.827 -39.424 -39.424 4 HA HIS 1 HA HIS 1 9.836 -39.263 -39.263 5 1HB HIS 1 HB2 HIS 1 12.456 -38.287 -38.287 6 2HB HIS 1 HB1 HIS 1 11.296 -37.309 -37.309 7 HD1 HIS 1 HD1 HIS 1 11.997 -38.485 -38.485 8 HD2 HIS 1 HD2 HIS 1 10.374 -41.059 -41.059 9 HE1 HIS 1 HE1 HIS 1 11.466 -40.648 -40.648 10 H PHE 2 HN PHE 2 8.250 -38.058 -38.058 11 HA PHE 2 HA PHE 2 7.437 -35.560 -35.560 12 1HB PHE 2 HB2 PHE 2 9.401 -35.060 -35.060 13 2HB PHE 2 HB1 PHE 2 8.259 -35.403 -35.403 14 HD1 PHE 2 HD1 PHE 2 8.207 -33.541 -33.541 15 HD2 PHE 2 HD2 PHE 2 7.244 -33.526 -33.526 16 HE1 PHE 2 HE1 PHE 2 7.267 -31.258 -31.258 17 HE2 PHE 2 HE2 PHE 2 6.303 -31.243 -31.243 18 HZ PHE 2 HZ PHE 2 6.315 -30.109 -30.109 19 H ALA 3 HN ALA 3 5.227 -35.613 -35.613 20 HA ALA 3 HA ALA 3 3.951 -37.121 -37.121 21 1HB ALA 3 HB2 ALA 3 3.133 -36.588 -36.588 22 2HB ALA 3 HB1 ALA 3 2.096 -37.393 -37.393 23 3HB ALA 3 HB3 ALA 3 3.621 -38.135 -38.135 24 H ALA 4 HN ALA 4 1.556 -36.266 -36.266 25 HA ALA 4 HA ALA 4 1.684 -33.528 -33.528 26 1HB ALA 4 HB2 ALA 4 -0.068 -35.821 -35.821 27 2HB ALA 4 HB1 ALA 4 -1.007 -34.377 -34.377 28 3HB ALA 4 HB3 ALA 4 -0.022 -34.433 -34.433 29 H ASP 5 HN ASP 5 0.223 -31.778 -31.778 30 HA ASP 5 HA ASP 5 -0.237 -31.989 -31.989 31 1HB ASP 5 HB2 ASP 5 0.718 -29.655 -29.655 32 2HB ASP 5 HB1 ASP 5 0.427 -29.590 -29.590 33 H CYS 6 HN CYS 6 -2.481 -32.277 -32.277 34 HA CYS 6 HA CYS 6 -4.179 -30.572 -30.572 35 1HB CYS 6 HB2 CYS 6 -4.973 -32.677 -32.677 36 2HB CYS 6 HB1 CYS 6 -5.908 -32.113 -32.113 37 H CYS 7 HN CYS 7 -5.620 -29.012 -29.012 38 HA CYS 7 HA CYS 7 -4.965 -28.011 -28.011 39 1HB CYS 7 HB2 CYS 7 -6.109 -27.036 -27.036 40 2HB CYS 7 HB1 CYS 7 -6.876 -26.369 -26.369 41 H THR 8 HN THR 8 -6.404 -28.103 -28.103 42 HA THR 8 HA THR 8 -8.974 -29.571 -29.571 43 HB THR 8 HB THR 8 -7.133 -30.397 -30.397 44 HG1 THR 8 HG1 THR 8 -9.492 -29.821 -29.821 45 1HG2 THR 8 HG21 THR 8 -6.530 -28.177 -28.177 46 2HG2 THR 8 HG23 THR 8 -8.130 -28.041 -28.041 47 3HG2 THR 8 HG22 THR 8 -7.007 -29.280 -29.280 48 H SER 9 HN SER 9 -7.607 -26.527 -26.527 49 HA SER 9 HA SER 9 -10.244 -25.268 -25.268 50 1HB SER 9 HB2 SER 9 -8.662 -26.078 -26.078 51 2HB SER 9 HB1 SER 9 -9.162 -24.386 -24.386 52 HG SER 9 HG SER 9 -11.213 -24.962 -24.962 53 H TYR 10 HN TYR 10 -10.024 -23.110 -23.110 54 HA TYR 10 HA TYR 10 -7.297 -22.194 -22.194 55 1HB TYR 10 HB2 TYR 10 -10.056 -21.010 -21.010 56 2HB TYR 10 HB1 TYR 10 -8.565 -20.451 -20.451 57 HD1 TYR 10 HD1 TYR 10 -7.157 -22.338 -22.338 58 HD2 TYR 10 HD2 TYR 10 -11.356 -22.595 -22.595 59 HE1 TYR 10 HE1 TYR 10 -7.417 -24.062 -24.062 60 HE2 TYR 10 HE2 TYR 10 -11.616 -24.317 -24.317 61 HH TYR 10 HH TYR 10 -10.588 -25.566 -25.566 62 H ILE 11 HN ILE 11 -7.032 -19.670 -19.670 63 HA ILE 11 HA ILE 11 -7.026 -19.269 -19.269 64 HB ILE 11 HB ILE 11 -5.749 -17.356 -17.356 65 1HG1 ILE 11 HG12 ILE 11 -7.565 -16.400 -16.400 66 2HG1 ILE 11 HG11 ILE 11 -5.903 -16.079 -16.079 67 1HG2 ILE 11 HG22 ILE 11 -4.843 -19.581 -19.581 68 2HG2 ILE 11 HG21 ILE 11 -5.310 -19.024 -19.024 69 3HG2 ILE 11 HG23 ILE 11 -4.125 -18.115 -18.115 70 1HD1 ILE 11 HD12 ILE 11 -6.056 -18.138 -18.138 71 2HD1 ILE 11 HD11 ILE 11 -7.787 -18.157 -18.157 72 3HD1 ILE 11 HD13 ILE 11 -7.068 -16.781 -16.781 73 H SER 12 HN SER 12 -7.893 -16.980 -16.980 74 HA SER 12 HA SER 12 -10.749 -16.847 -16.847 75 1HB SER 12 HB2 SER 12 -10.415 -15.360 -15.360 76 2HB SER 12 HB1 SER 12 -10.904 -17.052 -17.052 77 HG SER 12 HG SER 12 -8.314 -15.979 -15.979 78 H GLN 13 HN GLN 13 -7.900 -15.220 -15.220 79 HA GLN 13 HA GLN 13 -9.368 -12.818 -12.818 80 1HB GLN 13 HB2 GLN 13 -8.057 -11.310 -11.310 81 2HB GLN 13 HB1 GLN 13 -8.750 -12.532 -12.532 82 1HG GLN 13 HG2 GLN 13 -6.607 -13.827 -13.827 83 2HG GLN 13 HG1 GLN 13 -5.927 -12.481 -12.481 84 1HE2 GLN 13 HE21 GLN 13 -6.038 -13.722 -13.722 85 2HE2 GLN 13 HE22 GLN 13 -5.813 -12.290 -12.290 86 H SER 14 HN SER 14 -7.345 -11.188 -11.188 87 HA SER 14 HA SER 14 -6.221 -12.221 -12.221 88 1HB SER 14 HB2 SER 14 -4.860 -10.253 -10.253 89 2HB SER 14 HB1 SER 14 -6.324 -9.832 -9.832 90 HG SER 14 HG SER 14 -4.140 -9.378 -9.378 91 H ILE 15 HN ILE 15 -4.174 -13.187 -13.187 92 HA ILE 15 HA ILE 15 -3.093 -14.958 -14.958 93 HB ILE 15 HB ILE 15 -2.453 -14.190 -14.190 94 1HG1 ILE 15 HG12 ILE 15 -4.355 -15.735 -15.735 95 2HG1 ILE 15 HG11 ILE 15 -3.126 -16.478 -16.478 96 1HG2 ILE 15 HG23 ILE 15 -0.294 -14.601 -14.601 97 2HG2 ILE 15 HG22 ILE 15 -0.907 -16.158 -16.158 98 3HG2 ILE 15 HG21 ILE 15 -0.663 -15.870 -15.870 99 1HD1 ILE 15 HD13 ILE 15 -2.305 -16.855 -16.855 100 2HD1 ILE 15 HD12 ILE 15 -4.009 -17.303 -17.303 101 3HD1 ILE 15 HD11 ILE 15 -2.832 -18.084 -18.084 102 HA PRO 16 HA PRO 16 -0.146 -12.033 -12.033 103 1HB PRO 16 HB2 PRO 16 1.079 -13.736 -13.736 104 2HB PRO 16 HB1 PRO 16 -0.525 -13.041 -13.041 105 1HG PRO 16 HG2 PRO 16 0.229 -15.765 -15.765 106 2HG PRO 16 HG1 PRO 16 -1.143 -15.235 -15.235 107 1HD PRO 16 HD2 PRO 16 -1.211 -15.908 -15.908 108 2HD PRO 16 HD1 PRO 16 -2.470 -15.032 -15.032 109 H CYS 17 HN CYS 17 1.006 -12.044 -12.044 110 HA CYS 17 HA CYS 17 2.968 -14.009 -14.009 111 1HB CYS 17 HB2 CYS 17 1.921 -11.519 -11.519 112 2HB CYS 17 HB1 CYS 17 3.680 -11.386 -11.386 113 H SER 18 HN SER 18 3.032 -11.270 -11.270 114 HA SER 18 HA SER 18 5.901 -11.006 -11.006 115 1HB SER 18 HB2 SER 18 3.498 -9.867 -9.867 116 2HB SER 18 HB1 SER 18 4.569 -10.257 -10.257 117 HG SER 18 HG SER 18 4.814 -8.356 -8.356 118 H LEU 19 HN LEU 19 3.909 -13.538 -13.538 119 HA LEU 19 HA LEU 19 5.803 -14.416 -14.416 120 1HB LEU 19 HB2 LEU 19 2.815 -14.557 -14.557 121 2HB LEU 19 HB1 LEU 19 3.638 -15.765 -15.765 122 HG LEU 19 HG LEU 19 2.906 -13.878 -13.878 123 1HD1 LEU 19 HD13 LEU 19 5.205 -15.089 -15.089 124 2HD1 LEU 19 HD12 LEU 19 5.886 -13.565 -13.565 125 3HD1 LEU 19 HD11 LEU 19 4.925 -13.603 -13.603 126 1HD2 LEU 19 HD23 LEU 19 3.369 -12.326 -12.326 127 2HD2 LEU 19 HD22 LEU 19 3.255 -11.682 -11.682 128 3HD2 LEU 19 HD21 LEU 19 4.836 -12.003 -12.003 129 H MET 20 HN MET 20 5.793 -14.879 -14.879 130 HA MET 20 HA MET 20 6.002 -17.845 -17.845 131 1HB MET 20 HB2 MET 20 4.829 -16.929 -16.929 132 2HB MET 20 HB1 MET 20 4.317 -18.236 -18.236 133 1HG MET 20 HG2 MET 20 3.753 -15.350 -15.350 134 2HG MET 20 HG1 MET 20 2.683 -16.264 -16.264 135 1HE MET 20 HE1 MET 20 0.738 -16.441 -16.441 136 2HE MET 20 HE3 MET 20 0.958 -18.195 -18.195 137 3HE MET 20 HE2 MET 20 0.259 -17.413 -17.413 138 H LYS 21 HN LYS 21 7.641 -18.647 -18.647 139 HA LYS 21 HA LYS 21 9.425 -16.641 -16.641 140 1HB LYS 21 HB2 LYS 21 11.012 -18.549 -18.549 141 2HB LYS 21 HB1 LYS 21 10.290 -18.281 -18.281 142 1HG LYS 21 HG2 LYS 21 9.332 -20.325 -20.325 143 2HG LYS 21 HG1 LYS 21 8.662 -20.070 -20.070 144 1HD LYS 21 HD2 LYS 21 10.195 -21.951 -21.951 145 2HD LYS 21 HD1 LYS 21 10.926 -20.593 -20.593 146 1HE LYS 21 HE2 LYS 21 12.013 -20.053 -20.053 147 2HE LYS 21 HE1 LYS 21 11.657 -21.756 -21.756 148 1HZ LYS 21 HZ2 LYS 21 13.030 -20.789 -20.789 149 2HZ LYS 21 HZ1 LYS 21 13.843 -21.410 -21.410 150 3HZ LYS 21 HZ3 LYS 21 12.798 -22.407 -22.407 151 H SER 22 HN SER 22 7.232 -19.240 -19.240 152 HA SER 22 HA SER 22 7.641 -18.569 -18.569 153 1HB SER 22 HB2 SER 22 9.348 -20.308 -20.308 154 2HB SER 22 HB1 SER 22 7.985 -21.406 -21.406 155 HG SER 22 HG SER 22 8.186 -21.781 -21.781 156 H TYR 23 HN TYR 23 6.172 -20.245 -20.245 157 HA TYR 23 HA TYR 23 3.712 -20.997 -20.997 158 1HB TYR 23 HB2 TYR 23 2.339 -19.580 -19.580 159 2HB TYR 23 HB1 TYR 23 3.581 -18.582 -18.582 160 HD1 TYR 23 HD1 TYR 23 2.811 -20.517 -20.517 161 HD2 TYR 23 HD2 TYR 23 5.115 -17.361 -17.361 162 HE1 TYR 23 HE1 TYR 23 3.646 -19.858 -19.858 163 HE2 TYR 23 HE2 TYR 23 5.951 -16.704 -16.704 164 HH TYR 23 HH TYR 23 4.679 -18.168 -18.168 165 H PHE 24 HN PHE 24 2.452 -22.577 -22.577 166 HA PHE 24 HA PHE 24 3.416 -23.329 -23.329 167 1HB PHE 24 HB2 PHE 24 4.143 -25.479 -25.479 168 2HB PHE 24 HB1 PHE 24 4.738 -24.444 -24.444 169 HD1 PHE 24 HD1 PHE 24 1.892 -26.675 -26.675 170 HD2 PHE 24 HD2 PHE 24 4.059 -24.793 -24.793 171 HE1 PHE 24 HE1 PHE 24 0.601 -27.995 -27.995 172 HE2 PHE 24 HE2 PHE 24 2.765 -26.116 -26.116 173 HZ PHE 24 HZ PHE 24 1.036 -27.717 -27.717 174 H GLU 25 HN GLU 25 1.845 -24.473 -24.473 175 HA GLU 25 HA GLU 25 -0.891 -24.450 -24.450 176 1HB GLU 25 HB2 GLU 25 0.186 -24.984 -24.984 177 2HB GLU 25 HB1 GLU 25 -1.516 -24.774 -24.774 178 1HG GLU 25 HG2 GLU 25 -0.424 -22.532 -22.532 179 2HG GLU 25 HG1 GLU 25 0.619 -22.750 -22.750 180 H THR 26 HN THR 26 -2.038 -26.365 -26.365 181 HA THR 26 HA THR 26 -0.666 -28.819 -28.819 182 HB THR 26 HB THR 26 -2.895 -29.684 -29.684 183 HG1 THR 26 HG1 THR 26 -4.246 -29.173 -29.173 184 1HG2 THR 26 HG23 THR 26 -2.064 -27.087 -27.087 185 2HG2 THR 26 HG22 THR 26 -3.824 -27.163 -27.163 186 3HG2 THR 26 HG21 THR 26 -2.942 -28.353 -28.353 187 H SER 27 HN SER 27 -2.046 -30.837 -30.837 188 HA SER 27 HA SER 27 -1.497 -30.386 -30.386 189 1HB SER 27 HB2 SER 27 0.224 -31.783 -31.783 190 2HB SER 27 HB1 SER 27 -0.747 -32.542 -32.542 191 HG SER 27 HG SER 27 -0.938 -34.059 -34.059 192 H SER 28 HN SER 28 -2.540 -32.289 -32.289 193 HA SER 28 HA SER 28 -5.401 -32.195 -32.195 194 1HB SER 28 HB2 SER 28 -5.454 -33.301 -33.301 195 2HB SER 28 HB1 SER 28 -3.882 -32.503 -32.503 196 HG SER 28 HG SER 28 -4.344 -35.046 -35.046 197 H GLU 29 HN GLU 29 -2.885 -34.247 -34.247 198 HA GLU 29 HA GLU 29 -4.480 -36.624 -36.624 199 1HB GLU 29 HB2 GLU 29 -1.796 -35.873 -35.873 200 2HB GLU 29 HB1 GLU 29 -2.108 -36.224 -36.224 201 1HG GLU 29 HG2 GLU 29 -1.514 -38.327 -38.327 202 2HG GLU 29 HG1 GLU 29 -3.277 -38.370 -38.370 203 H CYS 30 HN CYS 30 -3.899 -33.626 -33.626 204 HA CYS 30 HA CYS 30 -4.563 -34.575 -34.575 205 1HB CYS 30 HB2 CYS 30 -3.936 -32.108 -32.108 206 2HB CYS 30 HB1 CYS 30 -5.235 -31.864 -31.864 207 H SER 31 HN SER 31 -6.547 -34.733 -34.733 208 HA SER 31 HA SER 31 -8.943 -34.975 -34.975 209 1HB SER 31 HB2 SER 31 -8.004 -35.264 -35.264 210 2HB SER 31 HB1 SER 31 -9.633 -34.591 -34.591 211 HG SER 31 HG SER 31 -9.511 -36.927 -36.927 212 H LYS 32 HN LYS 32 -7.330 -32.248 -32.248 213 HA LYS 32 HA LYS 32 -9.612 -30.501 -30.501 214 1HB LYS 32 HB2 LYS 32 -8.574 -31.047 -31.047 215 2HB LYS 32 HB1 LYS 32 -8.879 -29.352 -29.352 216 1HG LYS 32 HG2 LYS 32 -11.167 -30.114 -30.114 217 2HG LYS 32 HG1 LYS 32 -10.833 -31.659 -31.659 218 1HD LYS 32 HD2 LYS 32 -11.778 -30.676 -30.676 219 2HD LYS 32 HD1 LYS 32 -10.202 -29.904 -29.904 220 1HE LYS 32 HE2 LYS 32 -11.059 -28.014 -28.014 221 2HE LYS 32 HE1 LYS 32 -12.667 -28.758 -28.758 222 1HZ LYS 32 HZ1 LYS 32 -11.929 -28.845 -28.845 223 2HZ LYS 32 HZ3 LYS 32 -11.084 -27.453 -27.453 224 3HZ LYS 32 HZ2 LYS 32 -12.771 -27.526 -27.526 225 HA PRO 33 HA PRO 33 -5.923 -28.481 -28.481 226 1HB PRO 33 HB2 PRO 33 -7.225 -26.500 -26.500 227 2HB PRO 33 HB1 PRO 33 -7.033 -28.147 -28.147 228 1HG PRO 33 HG2 PRO 33 -9.387 -26.865 -26.865 229 2HG PRO 33 HG1 PRO 33 -9.331 -28.008 -28.008 230 1HD PRO 33 HD2 PRO 33 -9.967 -28.706 -28.706 231 2HD PRO 33 HD1 PRO 33 -9.259 -29.828 -29.828 232 H GLY 34 HN GLY 34 -5.335 -25.973 -25.973 233 1HA GLY 34 HA2 GLY 34 -6.215 -23.852 -23.852 234 2HA GLY 34 HA1 GLY 34 -5.980 -24.912 -24.912 235 H VAL 35 HN VAL 35 -4.550 -22.459 -22.459 236 HA VAL 35 HA VAL 35 -1.804 -23.375 -23.375 237 HB VAL 35 HB VAL 35 -3.220 -20.720 -20.720 238 1HG1 VAL 35 HG12 VAL 35 -0.925 -20.632 -20.632 239 2HG1 VAL 35 HG11 VAL 35 -0.254 -21.086 -21.086 240 3HG1 VAL 35 HG13 VAL 35 -1.128 -19.565 -19.565 241 1HG2 VAL 35 HG22 VAL 35 -2.465 -22.498 -22.498 242 2HG2 VAL 35 HG21 VAL 35 -3.417 -21.016 -21.016 243 3HG2 VAL 35 HG23 VAL 35 -1.659 -20.943 -20.943 244 H ILE 36 HN ILE 36 -0.536 -23.983 -23.983 245 HA ILE 36 HA ILE 36 -1.196 -22.885 -22.885 246 HB ILE 36 HB ILE 36 0.161 -25.359 -25.359 247 1HG1 ILE 36 HG12 ILE 36 -2.144 -24.755 -24.755 248 2HG1 ILE 36 HG11 ILE 36 -2.205 -25.566 -25.566 249 1HG2 ILE 36 HG21 ILE 36 0.333 -24.223 -24.223 250 2HG2 ILE 36 HG23 ILE 36 0.692 -25.905 -25.905 251 3HG2 ILE 36 HG22 ILE 36 1.674 -24.610 -24.610 252 1HD1 ILE 36 HD13 ILE 36 -0.752 -26.639 -26.639 253 2HD1 ILE 36 HD12 ILE 36 -2.356 -27.160 -27.160 254 3HD1 ILE 36 HD11 ILE 36 -0.955 -27.463 -27.463 255 H PHE 37 HN PHE 37 0.222 -21.473 -21.473 256 HA PHE 37 HA PHE 37 2.757 -20.863 -20.863 257 1HB PHE 37 HB2 PHE 37 1.288 -19.552 -19.552 258 2HB PHE 37 HB1 PHE 37 2.729 -18.896 -18.896 259 HD1 PHE 37 HD1 PHE 37 -0.769 -20.012 -20.012 260 HD2 PHE 37 HD2 PHE 37 2.539 -17.556 -17.556 261 HE1 PHE 37 HE1 PHE 37 -2.191 -18.963 -18.963 262 HE2 PHE 37 HE2 PHE 37 1.114 -16.510 -16.510 263 HZ PHE 37 HZ PHE 37 -1.251 -17.211 -17.211 264 H LEU 38 HN LEU 38 4.747 -21.429 -21.429 265 HA LEU 38 HA LEU 38 4.711 -23.013 -23.013 266 1HB LEU 38 HB2 LEU 38 6.000 -23.142 -23.142 267 2HB LEU 38 HB1 LEU 38 7.257 -22.909 -22.909 268 HG LEU 38 HG LEU 38 6.829 -25.302 -25.302 269 1HD1 LEU 38 HD12 LEU 38 6.226 -23.873 -23.873 270 2HD1 LEU 38 HD11 LEU 38 5.695 -25.554 -25.554 271 3HD1 LEU 38 HD13 LEU 38 7.393 -25.158 -25.158 272 1HD2 LEU 38 HD22 LEU 38 4.179 -24.463 -24.463 273 2HD2 LEU 38 HD21 LEU 38 4.753 -26.130 -26.130 274 3HD2 LEU 38 HD23 LEU 38 4.160 -25.362 -25.362 275 H THR 39 HN THR 39 5.399 -22.043 -22.043 276 HA THR 39 HA THR 39 6.731 -19.408 -19.408 277 HB THR 39 HB THR 39 6.014 -19.218 -19.218 278 HG1 THR 39 HG1 THR 39 6.383 -20.890 -20.890 279 1HG2 THR 39 HG22 THR 39 4.223 -19.817 -19.817 280 2HG2 THR 39 HG21 THR 39 3.834 -21.061 -21.061 281 3HG2 THR 39 HG23 THR 39 3.763 -19.357 -19.357 282 H LYS 40 HN LYS 40 8.767 -18.999 -18.999 283 HA LYS 40 HA LYS 40 10.724 -21.100 -21.100 284 1HB LYS 40 HB2 LYS 40 11.272 -18.783 -18.783 285 2HB LYS 40 HB1 LYS 40 10.694 -18.302 -18.302 286 1HG LYS 40 HG2 LYS 40 12.759 -20.416 -20.416 287 2HG LYS 40 HG1 LYS 40 13.311 -18.854 -18.854 288 1HD LYS 40 HD2 LYS 40 12.096 -17.880 -17.880 289 2HD LYS 40 HD1 LYS 40 12.166 -19.533 -19.533 290 1HE LYS 40 HE2 LYS 40 14.431 -19.437 -19.437 291 2HE LYS 40 HE1 LYS 40 14.707 -18.494 -18.494 292 1HZ LYS 40 HZ1 LYS 40 13.271 -17.360 -17.360 293 2HZ LYS 40 HZ3 LYS 40 14.962 -17.284 -17.284 294 3HZ LYS 40 HZ2 LYS 40 14.002 -16.535 -16.535 295 H LYS 41 HN LYS 41 8.788 -19.775 -19.775 296 HA LYS 41 HA LYS 41 10.361 -20.888 -20.888 297 1HB LYS 41 HB2 LYS 41 8.680 -19.004 -19.004 298 2HB LYS 41 HB1 LYS 41 7.407 -20.211 -20.211 299 1HG LYS 41 HG2 LYS 41 7.985 -21.263 -21.263 300 2HG LYS 41 HG1 LYS 41 9.506 -20.376 -20.376 301 1HD LYS 41 HD2 LYS 41 8.498 -18.632 -18.632 302 2HD LYS 41 HD1 LYS 41 7.259 -18.553 -18.553 303 1HE LYS 41 HE2 LYS 41 6.450 -20.791 -20.791 304 2HE LYS 41 HE1 LYS 41 7.167 -19.866 -19.866 305 1HZ LYS 41 HZ2 LYS 41 5.372 -18.623 -18.623 306 2HZ LYS 41 HZ1 LYS 41 4.767 -19.333 -19.333 307 3HZ LYS 41 HZ3 LYS 41 5.828 -18.014 -18.014 308 H GLY 42 HN GLY 42 8.583 -22.424 -22.424 309 1HA GLY 42 HA2 GLY 42 8.299 -24.803 -24.803 310 2HA GLY 42 HA1 GLY 42 8.481 -24.903 -24.903 311 H ARG 43 HN ARG 43 6.252 -23.376 -23.376 312 HA ARG 43 HA ARG 43 3.957 -24.604 -24.604 313 1HB ARG 43 HB2 ARG 43 4.810 -22.201 -22.201 314 2HB ARG 43 HB1 ARG 43 3.863 -21.670 -21.670 315 1HG ARG 43 HG2 ARG 43 2.439 -21.668 -21.668 316 2HG ARG 43 HG1 ARG 43 1.918 -22.966 -22.966 317 1HD ARG 43 HD2 ARG 43 2.718 -24.635 -24.635 318 2HD ARG 43 HD1 ARG 43 3.958 -23.579 -23.579 319 HE ARG 43 HE ARG 43 1.535 -22.369 -22.369 320 1HH1 ARG 43 HH11 ARG 43 3.566 -24.900 -24.900 321 2HH1 ARG 43 HH12 ARG 43 2.507 -25.495 -25.495 322 1HH2 ARG 43 HH21 ARG 43 -0.101 -23.370 -23.370 323 2HH2 ARG 43 HH22 ARG 43 0.431 -24.627 -24.627 324 H GLN 44 HN GLN 44 1.861 -23.931 -23.931 325 HA GLN 44 HA GLN 44 2.418 -23.339 -23.339 326 1HB GLN 44 HB2 GLN 44 0.825 -25.780 -25.780 327 2HB GLN 44 HB1 GLN 44 1.556 -25.398 -25.398 328 1HG GLN 44 HG2 GLN 44 3.817 -25.550 -25.550 329 2HG GLN 44 HG1 GLN 44 2.993 -26.155 -26.155 330 1HE2 GLN 44 HE21 GLN 44 0.972 -27.714 -27.714 331 2HE2 GLN 44 HE22 GLN 44 1.781 -29.036 -29.036 332 H VAL 45 HN VAL 45 0.787 -22.135 -22.135 333 HA VAL 45 HA VAL 45 -1.733 -21.851 -21.851 334 HB VAL 45 HB VAL 45 -0.237 -20.072 -20.072 335 1HG1 VAL 45 HG13 VAL 45 -2.991 -19.789 -19.789 336 2HG1 VAL 45 HG12 VAL 45 -2.071 -18.397 -18.397 337 3HG1 VAL 45 HG11 VAL 45 -2.540 -19.665 -19.665 338 1HG2 VAL 45 HG22 VAL 45 -0.156 -20.442 -20.442 339 2HG2 VAL 45 HG21 VAL 45 0.664 -19.201 -19.201 340 3HG2 VAL 45 HG23 VAL 45 -0.943 -18.891 -18.891 341 H CYS 46 HN CYS 46 -3.762 -21.875 -21.875 342 HA CYS 46 HA CYS 46 -3.521 -23.257 -23.257 343 1HB CYS 46 HB2 CYS 46 -5.106 -23.647 -23.647 344 2HB CYS 46 HB1 CYS 46 -6.061 -23.732 -23.732 345 H ALA 47 HN ALA 47 -4.364 -22.163 -22.163 346 HA ALA 47 HA ALA 47 -6.382 -20.010 -20.010 347 1HB ALA 47 HB2 ALA 47 -3.900 -20.015 -20.015 348 2HB ALA 47 HB1 ALA 47 -5.157 -18.786 -18.786 349 3HB ALA 47 HB3 ALA 47 -4.249 -18.960 -18.960 350 H LYS 48 HN LYS 48 -7.846 -19.634 -19.634 351 HA LYS 48 HA LYS 48 -8.705 -21.998 -21.998 352 1HB LYS 48 HB2 LYS 48 -9.407 -19.179 -19.179 353 2HB LYS 48 HB1 LYS 48 -9.712 -19.761 -19.761 354 1HG LYS 48 HG2 LYS 48 -10.679 -21.845 -21.845 355 2HG LYS 48 HG1 LYS 48 -11.036 -20.494 -20.494 356 1HD LYS 48 HD2 LYS 48 -12.765 -19.882 -19.882 357 2HD LYS 48 HD1 LYS 48 -11.686 -19.733 -19.733 358 1HE LYS 48 HE2 LYS 48 -13.383 -21.385 -21.385 359 2HE LYS 48 HE1 LYS 48 -11.867 -22.262 -22.262 360 1HZ LYS 48 HZ3 LYS 48 -13.804 -21.687 -21.687 361 2HZ LYS 48 HZ2 LYS 48 -13.908 -23.099 -23.099 362 3HZ LYS 48 HZ1 LYS 48 -12.527 -22.803 -22.803 363 HA PRO 49 HA PRO 49 -6.448 -21.903 -21.903 364 1HB PRO 49 HB2 PRO 49 -8.344 -21.991 -21.991 365 2HB PRO 49 HB1 PRO 49 -7.957 -23.379 -23.379 366 1HG PRO 49 HG2 PRO 49 -10.229 -21.459 -21.459 367 2HG PRO 49 HG1 PRO 49 -10.206 -23.205 -23.205 368 1HD PRO 49 HD2 PRO 49 -10.209 -21.337 -21.337 369 2HD PRO 49 HD1 PRO 49 -9.514 -22.963 -22.963 370 H SER 50 HN SER 50 -9.086 -19.547 -19.547 371 HA SER 50 HA SER 50 -7.354 -17.619 -17.619 372 1HB SER 50 HB2 SER 50 -10.371 -17.820 -17.820 373 2HB SER 50 HB1 SER 50 -9.284 -16.922 -16.922 374 HG SER 50 HG SER 50 -9.838 -18.840 -18.840 375 H GLY 51 HN GLY 51 -7.625 -17.913 -17.913 376 1HA GLY 51 HA2 GLY 51 -9.513 -16.211 -16.211 377 2HA GLY 51 HA1 GLY 51 -7.897 -16.497 -16.497 378 HA PRO 52 HA PRO 52 -8.442 -12.257 -12.257 379 1HB PRO 52 HB2 PRO 52 -9.617 -10.727 -10.727 380 2HB PRO 52 HB1 PRO 52 -10.538 -11.563 -11.563 381 1HG PRO 52 HG2 PRO 52 -10.041 -12.364 -12.364 382 2HG PRO 52 HG1 PRO 52 -11.527 -12.475 -12.475 383 1HD PRO 52 HD2 PRO 52 -9.909 -14.605 -14.605 384 2HD PRO 52 HD1 PRO 52 -10.870 -14.429 -14.429 385 H GLY 53 HN GLY 53 -6.124 -12.494 -12.494 386 1HA GLY 53 HA2 GLY 53 -4.515 -10.808 -10.808 387 2HA GLY 53 HA1 GLY 53 -5.234 -11.284 -11.284 388 H VAL 54 HN VAL 54 -5.429 -14.135 -14.135 389 HA VAL 54 HA VAL 54 -3.009 -15.155 -15.155 390 HB VAL 54 HB VAL 54 -5.145 -16.296 -16.296 391 1HG1 VAL 54 HG13 VAL 54 -2.917 -17.503 -17.503 392 2HG1 VAL 54 HG12 VAL 54 -3.069 -17.862 -17.862 393 3HG1 VAL 54 HG11 VAL 54 -4.258 -18.492 -18.492 394 1HG2 VAL 54 HG23 VAL 54 -5.581 -15.520 -15.520 395 2HG2 VAL 54 HG22 VAL 54 -6.121 -17.134 -17.134 396 3HG2 VAL 54 HG21 VAL 54 -4.633 -16.934 -16.934 397 H GLN 55 HN GLN 55 -4.000 -14.689 -14.689 398 HA GLN 55 HA GLN 55 -1.581 -15.793 -15.793 399 1HB GLN 55 HB2 GLN 55 -3.681 -15.542 -15.542 400 2HB GLN 55 HB1 GLN 55 -3.633 -13.793 -13.793 401 1HG GLN 55 HG2 GLN 55 -2.446 -13.636 -13.636 402 2HG GLN 55 HG1 GLN 55 -1.131 -14.494 -14.494 403 1HE2 GLN 55 HE21 GLN 55 -0.527 -16.387 -16.387 404 2HE2 GLN 55 HE22 GLN 55 -1.544 -17.329 -17.329 405 H ASP 56 HN ASP 56 -2.567 -12.571 -12.571 406 HA ASP 56 HA ASP 56 -0.294 -11.142 -11.142 407 1HB ASP 56 HB2 ASP 56 -2.513 -10.228 -10.228 408 2HB ASP 56 HB1 ASP 56 -1.956 -10.563 -10.563 409 H CYS 57 HN CYS 57 -0.900 -13.026 -13.026 410 HA CYS 57 HA CYS 57 1.420 -12.175 -12.175 411 1HB CYS 57 HB2 CYS 57 -0.591 -13.385 -13.385 412 2HB CYS 57 HB1 CYS 57 -0.060 -14.828 -14.828 413 H MET 58 HN MET 58 0.824 -14.922 -14.922 414 HA MET 58 HA MET 58 3.484 -16.008 -16.008 415 1HB MET 58 HB2 MET 58 1.498 -16.141 -16.141 416 2HB MET 58 HB1 MET 58 2.780 -17.298 -17.298 417 1HG MET 58 HG2 MET 58 1.630 -17.588 -17.588 418 2HG MET 58 HG1 MET 58 0.250 -16.770 -16.770 419 1HE MET 58 HE1 MET 58 -0.204 -17.201 -17.201 420 2HE MET 58 HE3 MET 58 0.949 -18.254 -18.254 421 3HE MET 58 HE2 MET 58 -0.702 -18.800 -18.800 422 H LYS 59 HN LYS 59 2.006 -13.509 -13.509 423 HA LYS 59 HA LYS 59 4.113 -13.274 -13.274 424 1HB LYS 59 HB2 LYS 59 1.705 -11.867 -11.867 425 2HB LYS 59 HB1 LYS 59 2.952 -10.763 -10.763 426 1HG LYS 59 HG2 LYS 59 2.411 -13.200 -13.200 427 2HG LYS 59 HG1 LYS 59 1.206 -11.911 -11.911 428 1HD LYS 59 HD2 LYS 59 3.503 -10.464 -10.464 429 2HD LYS 59 HD1 LYS 59 3.962 -11.955 -11.955 430 1HE LYS 59 HE2 LYS 59 2.239 -11.734 -11.734 431 2HE LYS 59 HE1 LYS 59 1.331 -10.588 -10.588 432 1HZ LYS 59 HZ1 LYS 59 4.034 -10.111 -10.111 433 2HZ LYS 59 HZ3 LYS 59 2.591 -9.447 -9.447 434 3HZ LYS 59 HZ2 LYS 59 3.152 -9.014 -9.014 435 H LYS 60 HN LYS 60 3.510 -11.716 -11.716 436 HA LYS 60 HA LYS 60 5.816 -9.975 -9.975 437 1HB LYS 60 HB2 LYS 60 3.627 -10.735 -10.735 438 2HB LYS 60 HB1 LYS 60 5.128 -10.547 -10.547 439 1HG LYS 60 HG2 LYS 60 3.997 -8.501 -8.501 440 2HG LYS 60 HG1 LYS 60 3.876 -8.407 -8.407 441 1HD LYS 60 HD2 LYS 60 6.417 -8.545 -8.545 442 2HD LYS 60 HD1 LYS 60 6.390 -8.316 -8.316 443 1HE LYS 60 HE2 LYS 60 6.238 -6.079 -6.079 444 2HE LYS 60 HE1 LYS 60 4.675 -6.334 -6.334 445 1HZ LYS 60 HZ2 LYS 60 5.924 -6.956 -6.956 446 2HZ LYS 60 HZ1 LYS 60 7.372 -6.529 -6.529 447 3HZ LYS 60 HZ3 LYS 60 6.199 -5.345 -5.345 448 H LEU 61 HN LEU 61 5.303 -13.343 -13.343 449 HA LEU 61 HA LEU 61 7.765 -13.643 -13.643 450 1HB LEU 61 HB2 LEU 61 5.760 -15.499 -15.499 451 2HB LEU 61 HB1 LEU 61 7.167 -16.112 -16.112 452 HG LEU 61 HG LEU 61 4.913 -14.415 -14.415 453 1HD1 LEU 61 HD12 LEU 61 5.839 -17.240 -17.240 454 2HD1 LEU 61 HD11 LEU 61 5.186 -16.466 -16.466 455 3HD1 LEU 61 HD13 LEU 61 4.198 -16.594 -16.594 456 1HD2 LEU 61 HD21 LEU 61 7.642 -15.055 -15.055 457 2HD2 LEU 61 HD23 LEU 61 6.856 -13.482 -13.482 458 3HD2 LEU 61 HD22 LEU 61 6.275 -14.667 -14.667 459 H LYS 62 HN LYS 62 7.328 -12.982 -12.982 460 HA LYS 62 HA LYS 62 9.688 -14.634 -14.634 461 1HB LYS 62 HB2 LYS 62 7.579 -15.107 -15.107 462 2HB LYS 62 HB1 LYS 62 7.401 -13.399 -13.399 463 1HG LYS 62 HG2 LYS 62 9.112 -13.450 -13.450 464 2HG LYS 62 HG1 LYS 62 9.926 -14.807 -14.807 465 1HD LYS 62 HD2 LYS 62 8.846 -16.269 -16.269 466 2HD LYS 62 HD1 LYS 62 7.286 -15.612 -15.612 467 1HE LYS 62 HE2 LYS 62 7.078 -14.394 -14.394 468 2HE LYS 62 HE1 LYS 62 8.773 -13.874 -13.874 469 1HZ LYS 62 HZ2 LYS 62 7.854 -16.613 -16.613 470 2HZ LYS 62 HZ1 LYS 62 8.311 -15.430 -15.430 471 3HZ LYS 62 HZ3 LYS 62 9.454 -16.044 -16.044 472 HA PRO 63 HA PRO 63 10.972 -10.193 -10.193 473 1HB PRO 63 HB2 PRO 63 13.297 -10.562 -10.562 474 2HB PRO 63 HB1 PRO 63 11.735 -10.279 -10.279 475 1HG PRO 63 HG2 PRO 63 13.252 -12.804 -12.804 476 2HG PRO 63 HG1 PRO 63 12.223 -12.287 -12.287 477 1HD PRO 63 HD2 PRO 63 11.480 -14.064 -14.064 478 2HD PRO 63 HD1 PRO 63 10.354 -13.160 -13.160 479 H TYR 64 HN TYR 64 11.234 -10.963 -10.963 480 HA TYR 64 HA TYR 64 14.135 -11.069 -11.069 481 1HB TYR 64 HB2 TYR 64 12.143 -13.219 -13.219 482 2HB TYR 64 HB1 TYR 64 13.041 -12.896 -12.896 483 HD1 TYR 64 HD1 TYR 64 15.644 -12.608 -12.608 484 HD2 TYR 64 HD2 TYR 64 13.099 -14.589 -14.589 485 HE1 TYR 64 HE1 TYR 64 17.610 -13.800 -13.800 486 HE2 TYR 64 HE2 TYR 64 15.065 -15.780 -15.780 487 HH TYR 64 HH TYR 64 17.496 -15.501 -15.501 488 H SER 65 HN SER 65 12.359 -8.885 -8.885 489 HA SER 65 HA SER 65 12.056 -8.779 -8.779 490 1HB SER 65 HB2 SER 65 9.923 -7.955 -7.955 491 2HB SER 65 HB1 SER 65 10.023 -8.848 -8.848 492 HG SER 65 HG SER 65 10.072 -6.127 -6.127 493 H ILE 66 HN ILE 66 13.304 -7.179 -7.179 494 HA ILE 66 HA ILE 66 14.600 -5.197 -5.197 495 HB ILE 66 HB ILE 66 15.850 -4.708 -4.708 496 1HG1 ILE 66 HG12 ILE 66 14.226 -6.913 -6.913 497 2HG1 ILE 66 HG11 ILE 66 13.764 -5.220 -5.220 498 1HG2 ILE 66 HG23 ILE 66 15.946 -6.995 -6.995 499 2HG2 ILE 66 HG22 ILE 66 15.858 -7.643 -7.643 500 3HG2 ILE 66 HG21 ILE 66 17.153 -6.529 -6.529 501 1HD1 ILE 66 HD11 ILE 66 16.166 -4.799 -4.799 502 2HD1 ILE 66 HD13 ILE 66 16.309 -6.550 -6.550 503 3HD1 ILE 66 HD12 ILE 66 15.116 -5.678 -5.678 Start of MODEL 15 1 1H HIS 1 HT1 HIS 1 7.677 -37.854 -37.854 2 2H HIS 1 HT3 HIS 1 8.938 -37.844 -37.844 3 3H HIS 1 HT2 HIS 1 9.292 -37.820 -37.820 4 HA HIS 1 HA HIS 1 9.590 -35.609 -35.609 5 1HB HIS 1 HB2 HIS 1 6.682 -36.047 -36.047 6 2HB HIS 1 HB1 HIS 1 7.588 -34.558 -34.558 7 HD1 HIS 1 HD1 HIS 1 6.733 -37.668 -37.668 8 HD2 HIS 1 HD2 HIS 1 10.027 -35.115 -35.115 9 HE1 HIS 1 HE1 HIS 1 8.030 -38.243 -38.243 10 H PHE 2 HN PHE 2 8.077 -33.594 -33.594 11 HA PHE 2 HA PHE 2 7.166 -34.391 -34.391 12 1HB PHE 2 HB2 PHE 2 9.399 -32.958 -32.958 13 2HB PHE 2 HB1 PHE 2 8.224 -31.665 -31.665 14 HD1 PHE 2 HD1 PHE 2 9.383 -34.847 -34.847 15 HD2 PHE 2 HD2 PHE 2 7.840 -30.875 -30.875 16 HE1 PHE 2 HE1 PHE 2 9.596 -35.101 -35.101 17 HE2 PHE 2 HE2 PHE 2 8.055 -31.129 -31.129 18 HZ PHE 2 HZ PHE 2 8.933 -33.242 -33.242 19 H ALA 3 HN ALA 3 4.961 -34.450 -34.450 20 HA ALA 3 HA ALA 3 3.668 -31.808 -31.808 21 1HB ALA 3 HB1 ALA 3 4.561 -32.892 -32.892 22 2HB ALA 3 HB3 ALA 3 2.803 -33.040 -33.040 23 3HB ALA 3 HB2 ALA 3 3.556 -31.462 -31.462 24 H ALA 4 HN ALA 4 1.776 -32.181 -32.181 25 HA ALA 4 HA ALA 4 -0.209 -34.080 -34.080 26 1HB ALA 4 HB1 ALA 4 2.050 -35.032 -35.032 27 2HB ALA 4 HB3 ALA 4 0.431 -35.587 -35.587 28 3HB ALA 4 HB2 ALA 4 1.084 -35.923 -35.923 29 H ASP 5 HN ASP 5 1.431 -32.373 -32.373 30 HA ASP 5 HA ASP 5 -0.472 -32.375 -32.375 31 1HB ASP 5 HB2 ASP 5 1.449 -30.346 -30.346 32 2HB ASP 5 HB1 ASP 5 0.403 -29.902 -29.902 33 H CYS 6 HN CYS 6 -2.628 -32.446 -32.446 34 HA CYS 6 HA CYS 6 -3.554 -30.127 -30.127 35 1HB CYS 6 HB2 CYS 6 -4.810 -32.717 -32.717 36 2HB CYS 6 HB1 CYS 6 -5.656 -31.533 -31.533 37 H CYS 7 HN CYS 7 -4.890 -28.512 -28.512 38 HA CYS 7 HA CYS 7 -5.214 -28.457 -28.457 39 1HB CYS 7 HB2 CYS 7 -5.364 -26.588 -26.588 40 2HB CYS 7 HB1 CYS 7 -6.246 -26.154 -26.154 41 H THR 8 HN THR 8 -7.186 -28.726 -28.726 42 HA THR 8 HA THR 8 -9.543 -29.367 -29.367 43 HB THR 8 HB THR 8 -8.760 -31.034 -31.034 44 HG1 THR 8 HG1 THR 8 -10.762 -31.153 -31.153 45 1HG2 THR 8 HG23 THR 8 -8.840 -28.639 -28.639 46 2HG2 THR 8 HG22 THR 8 -9.335 -30.169 -30.169 47 3HG2 THR 8 HG21 THR 8 -7.728 -30.008 -30.008 48 H SER 9 HN SER 9 -8.233 -26.876 -26.876 49 HA SER 9 HA SER 9 -10.750 -25.340 -25.340 50 1HB SER 9 HB2 SER 9 -9.333 -25.755 -25.755 51 2HB SER 9 HB1 SER 9 -10.930 -25.058 -25.058 52 HG SER 9 HG SER 9 -10.313 -27.582 -27.582 53 H TYR 10 HN TYR 10 -10.264 -23.150 -23.150 54 HA TYR 10 HA TYR 10 -7.403 -22.421 -22.421 55 1HB TYR 10 HB2 TYR 10 -9.948 -20.889 -20.889 56 2HB TYR 10 HB1 TYR 10 -8.314 -20.439 -20.439 57 HD1 TYR 10 HD1 TYR 10 -6.976 -22.544 -22.544 58 HD2 TYR 10 HD2 TYR 10 -11.232 -21.971 -21.971 59 HE1 TYR 10 HE1 TYR 10 -7.159 -24.043 -24.043 60 HE2 TYR 10 HE2 TYR 10 -11.419 -23.466 -23.466 61 HH TYR 10 HH TYR 10 -10.143 -25.281 -25.281 62 H ILE 11 HN ILE 11 -6.856 -20.152 -20.152 63 HA ILE 11 HA ILE 11 -7.178 -20.162 -20.162 64 HB ILE 11 HB ILE 11 -5.956 -18.132 -18.132 65 1HG1 ILE 11 HG12 ILE 11 -7.668 -16.963 -16.963 66 2HG1 ILE 11 HG11 ILE 11 -5.992 -16.569 -16.569 67 1HG2 ILE 11 HG22 ILE 11 -4.906 -20.163 -20.163 68 2HG2 ILE 11 HG21 ILE 11 -5.239 -19.294 -19.294 69 3HG2 ILE 11 HG23 ILE 11 -4.185 -18.578 -18.578 70 1HD1 ILE 11 HD11 ILE 11 -6.050 -18.363 -18.363 71 2HD1 ILE 11 HD13 ILE 11 -7.782 -18.523 -18.523 72 3HD1 ILE 11 HD12 ILE 11 -7.131 -17.005 -17.005 73 H SER 12 HN SER 12 -8.338 -18.536 -18.536 74 HA SER 12 HA SER 12 -11.028 -17.975 -17.975 75 1HB SER 12 HB2 SER 12 -11.571 -18.602 -18.602 76 2HB SER 12 HB1 SER 12 -9.861 -18.780 -18.780 77 HG SER 12 HG SER 12 -10.651 -17.268 -17.268 78 H GLN 13 HN GLN 13 -8.096 -16.377 -16.377 79 HA GLN 13 HA GLN 13 -9.463 -13.715 -13.715 80 1HB GLN 13 HB2 GLN 13 -7.415 -12.947 -12.947 81 2HB GLN 13 HB1 GLN 13 -8.620 -13.906 -13.906 82 1HG GLN 13 HG2 GLN 13 -7.240 -15.737 -15.737 83 2HG GLN 13 HG1 GLN 13 -6.444 -15.406 -15.406 84 1HE2 GLN 13 HE21 GLN 13 -5.496 -15.747 -15.747 85 2HE2 GLN 13 HE22 GLN 13 -4.396 -14.467 -14.467 86 H SER 14 HN SER 14 -7.478 -12.057 -12.057 87 HA SER 14 HA SER 14 -6.759 -12.537 -12.537 88 1HB SER 14 HB2 SER 14 -6.574 -10.515 -10.515 89 2HB SER 14 HB1 SER 14 -4.898 -10.833 -10.833 90 HG SER 14 HG SER 14 -5.294 -10.246 -10.246 91 H ILE 15 HN ILE 15 -4.824 -13.292 -13.292 92 HA ILE 15 HA ILE 15 -3.316 -15.295 -15.295 93 HB ILE 15 HB ILE 15 -3.201 -13.973 -13.973 94 1HG1 ILE 15 HG12 ILE 15 -4.995 -15.631 -15.631 95 2HG1 ILE 15 HG11 ILE 15 -3.932 -16.163 -16.163 96 1HG2 ILE 15 HG21 ILE 15 -0.878 -14.669 -14.669 97 2HG2 ILE 15 HG23 ILE 15 -1.477 -16.323 -16.323 98 3HG2 ILE 15 HG22 ILE 15 -1.376 -15.332 -15.332 99 1HD1 ILE 15 HD13 ILE 15 -2.599 -17.153 -17.153 100 2HD1 ILE 15 HD12 ILE 15 -4.265 -17.256 -17.256 101 3HD1 ILE 15 HD11 ILE 15 -3.791 -18.075 -18.075 102 HA PRO 16 HA PRO 16 -0.195 -12.516 -12.516 103 1HB PRO 16 HB2 PRO 16 1.516 -14.417 -14.417 104 2HB PRO 16 HB1 PRO 16 0.000 -14.002 -14.002 105 1HG PRO 16 HG2 PRO 16 0.673 -16.347 -16.347 106 2HG PRO 16 HG1 PRO 16 -0.433 -16.222 -16.222 107 1HD PRO 16 HD2 PRO 16 -1.166 -16.270 -16.270 108 2HD PRO 16 HD1 PRO 16 -2.195 -15.748 -15.748 109 H CYS 17 HN CYS 17 0.043 -12.462 -12.462 110 HA CYS 17 HA CYS 17 2.201 -13.877 -13.877 111 1HB CYS 17 HB2 CYS 17 1.162 -11.114 -11.114 112 2HB CYS 17 HB1 CYS 17 1.842 -12.308 -12.308 113 H SER 18 HN SER 18 2.132 -11.090 -11.090 114 HA SER 18 HA SER 18 4.669 -9.943 -9.943 115 1HB SER 18 HB2 SER 18 2.521 -9.317 -9.317 116 2HB SER 18 HB1 SER 18 3.759 -9.693 -9.693 117 HG SER 18 HG SER 18 4.751 -7.927 -7.927 118 H LEU 19 HN LEU 19 4.155 -12.987 -12.987 119 HA LEU 19 HA LEU 19 6.852 -12.984 -12.984 120 1HB LEU 19 HB2 LEU 19 4.240 -13.361 -13.361 121 2HB LEU 19 HB1 LEU 19 5.219 -14.814 -14.814 122 HG LEU 19 HG LEU 19 6.956 -12.648 -12.648 123 1HD1 LEU 19 HD12 LEU 19 4.163 -12.124 -12.124 124 2HD1 LEU 19 HD11 LEU 19 5.378 -11.902 -11.902 125 3HD1 LEU 19 HD13 LEU 19 5.495 -10.994 -10.994 126 1HD2 LEU 19 HD23 LEU 19 6.916 -14.919 -14.919 127 2HD2 LEU 19 HD22 LEU 19 7.041 -13.619 -13.619 128 3HD2 LEU 19 HD21 LEU 19 5.497 -14.428 -14.428 129 H MET 20 HN MET 20 5.188 -14.137 -14.137 130 HA MET 20 HA MET 20 5.896 -17.003 -17.003 131 1HB MET 20 HB2 MET 20 4.770 -15.712 -15.712 132 2HB MET 20 HB1 MET 20 4.547 -17.359 -17.359 133 1HG MET 20 HG2 MET 20 3.535 -15.010 -15.010 134 2HG MET 20 HG1 MET 20 2.586 -15.678 -15.678 135 1HE MET 20 HE1 MET 20 0.752 -15.941 -15.941 136 2HE MET 20 HE3 MET 20 0.736 -17.358 -17.358 137 3HE MET 20 HE2 MET 20 0.430 -17.539 -17.539 138 H LYS 21 HN LYS 21 7.715 -17.873 -17.873 139 HA LYS 21 HA LYS 21 9.512 -16.122 -16.122 140 1HB LYS 21 HB2 LYS 21 11.152 -17.940 -17.940 141 2HB LYS 21 HB1 LYS 21 10.407 -17.192 -17.192 142 1HG LYS 21 HG2 LYS 21 8.970 -19.040 -19.040 143 2HG LYS 21 HG1 LYS 21 9.246 -19.678 -19.678 144 1HD LYS 21 HD2 LYS 21 11.763 -19.416 -19.416 145 2HD LYS 21 HD1 LYS 21 10.636 -20.360 -20.360 146 1HE LYS 21 HE2 LYS 21 10.756 -22.130 -22.130 147 2HE LYS 21 HE1 LYS 21 10.557 -21.086 -21.086 148 1HZ LYS 21 HZ3 LYS 21 13.047 -20.819 -20.819 149 2HZ LYS 21 HZ2 LYS 21 12.864 -22.254 -22.254 150 3HZ LYS 21 HZ1 LYS 21 12.781 -20.748 -20.748 151 H SER 22 HN SER 22 7.508 -19.009 -19.009 152 HA SER 22 HA SER 22 7.985 -18.986 -18.986 153 1HB SER 22 HB2 SER 22 9.910 -20.208 -20.208 154 2HB SER 22 HB1 SER 22 8.728 -21.500 -21.500 155 HG SER 22 HG SER 22 10.210 -21.126 -21.126 156 H TYR 23 HN TYR 23 5.960 -19.342 -19.342 157 HA TYR 23 HA TYR 23 4.015 -20.986 -20.986 158 1HB TYR 23 HB2 TYR 23 2.404 -19.901 -19.901 159 2HB TYR 23 HB1 TYR 23 3.535 -18.672 -18.672 160 HD1 TYR 23 HD1 TYR 23 2.550 -20.778 -20.778 161 HD2 TYR 23 HD2 TYR 23 5.150 -17.649 -17.649 162 HE1 TYR 23 HE1 TYR 23 3.180 -20.271 -20.271 163 HE2 TYR 23 HE2 TYR 23 5.779 -17.139 -17.139 164 HH TYR 23 HH TYR 23 5.532 -19.026 -19.026 165 H PHE 24 HN PHE 24 2.771 -22.682 -22.682 166 HA PHE 24 HA PHE 24 3.937 -23.577 -23.577 167 1HB PHE 24 HB2 PHE 24 4.751 -25.622 -25.622 168 2HB PHE 24 HB1 PHE 24 5.185 -24.496 -24.496 169 HD1 PHE 24 HD1 PHE 24 2.498 -26.894 -26.894 170 HD2 PHE 24 HD2 PHE 24 4.441 -24.851 -24.851 171 HE1 PHE 24 HE1 PHE 24 1.198 -28.236 -28.236 172 HE2 PHE 24 HE2 PHE 24 3.139 -26.198 -26.198 173 HZ PHE 24 HZ PHE 24 1.520 -27.890 -27.890 174 H GLU 25 HN GLU 25 2.476 -24.819 -24.819 175 HA GLU 25 HA GLU 25 -0.316 -24.838 -24.838 176 1HB GLU 25 HB2 GLU 25 1.041 -25.429 -25.429 177 2HB GLU 25 HB1 GLU 25 -0.704 -25.522 -25.522 178 1HG GLU 25 HG2 GLU 25 0.408 -23.028 -23.028 179 2HG GLU 25 HG1 GLU 25 0.735 -23.236 -23.236 180 H THR 26 HN THR 26 -1.514 -26.780 -26.780 181 HA THR 26 HA THR 26 0.027 -29.149 -29.149 182 HB THR 26 HB THR 26 -2.117 -29.980 -29.980 183 HG1 THR 26 HG1 THR 26 -3.362 -27.900 -27.900 184 1HG2 THR 26 HG22 THR 26 -1.177 -27.472 -27.472 185 2HG2 THR 26 HG21 THR 26 -2.892 -27.204 -27.204 186 3HG2 THR 26 HG23 THR 26 -2.388 -28.426 -28.426 187 H SER 27 HN SER 27 -0.902 -31.339 -31.339 188 HA SER 27 HA SER 27 -0.301 -31.397 -31.397 189 1HB SER 27 HB2 SER 27 -1.539 -33.506 -33.506 190 2HB SER 27 HB1 SER 27 -0.624 -33.784 -33.784 191 HG SER 27 HG SER 27 0.443 -33.898 -33.898 192 H SER 28 HN SER 28 -1.734 -31.462 -31.462 193 HA SER 28 HA SER 28 -4.485 -30.674 -30.674 194 1HB SER 28 HB2 SER 28 -4.551 -30.918 -30.918 195 2HB SER 28 HB1 SER 28 -3.030 -30.165 -30.165 196 HG SER 28 HG SER 28 -3.493 -32.871 -32.871 197 H GLU 29 HN GLU 29 -2.993 -33.647 -33.647 198 HA GLU 29 HA GLU 29 -4.972 -35.438 -35.438 199 1HB GLU 29 HB2 GLU 29 -2.574 -35.484 -35.484 200 2HB GLU 29 HB1 GLU 29 -3.715 -36.796 -36.796 201 1HG GLU 29 HG2 GLU 29 -3.599 -37.503 -37.503 202 2HG GLU 29 HG1 GLU 29 -2.729 -36.043 -36.043 203 H CYS 30 HN CYS 30 -4.759 -33.548 -33.548 204 HA CYS 30 HA CYS 30 -6.560 -35.101 -35.101 205 1HB CYS 30 HB2 CYS 30 -5.121 -32.562 -32.562 206 2HB CYS 30 HB1 CYS 30 -6.714 -32.406 -32.406 207 H SER 31 HN SER 31 -8.821 -34.808 -34.808 208 HA SER 31 HA SER 31 -10.401 -34.067 -34.067 209 1HB SER 31 HB2 SER 31 -11.037 -35.617 -35.617 210 2HB SER 31 HB1 SER 31 -11.139 -34.239 -34.239 211 HG SER 31 HG SER 31 -12.602 -33.442 -33.442 212 H LYS 32 HN LYS 32 -8.831 -32.132 -32.132 213 HA LYS 32 HA LYS 32 -10.239 -29.715 -29.715 214 1HB LYS 32 HB2 LYS 32 -11.507 -30.291 -30.291 215 2HB LYS 32 HB1 LYS 32 -10.047 -30.669 -30.669 216 1HG LYS 32 HG2 LYS 32 -9.387 -28.205 -28.205 217 2HG LYS 32 HG1 LYS 32 -11.063 -27.958 -27.958 218 1HD LYS 32 HD2 LYS 32 -10.981 -29.488 -29.488 219 2HD LYS 32 HD1 LYS 32 -10.038 -28.010 -28.010 220 1HE LYS 32 HE2 LYS 32 -11.904 -26.625 -26.625 221 2HE LYS 32 HE1 LYS 32 -12.827 -28.003 -28.003 222 1HZ LYS 32 HZ1 LYS 32 -11.834 -27.915 -27.915 223 2HZ LYS 32 HZ3 LYS 32 -13.342 -27.262 -27.262 224 3HZ LYS 32 HZ2 LYS 32 -13.038 -28.918 -28.918 225 HA PRO 33 HA PRO 33 -5.865 -28.753 -28.753 226 1HB PRO 33 HB2 PRO 33 -6.118 -26.325 -26.325 227 2HB PRO 33 HB1 PRO 33 -6.130 -27.870 -27.870 228 1HG PRO 33 HG2 PRO 33 -8.414 -26.139 -26.139 229 2HG PRO 33 HG1 PRO 33 -8.171 -27.026 -27.026 230 1HD PRO 33 HD2 PRO 33 -9.790 -27.914 -27.914 231 2HD PRO 33 HD1 PRO 33 -8.922 -29.008 -29.008 232 H GLY 34 HN GLY 34 -4.777 -26.402 -26.402 233 1HA GLY 34 HA2 GLY 34 -5.980 -24.531 -24.531 234 2HA GLY 34 HA1 GLY 34 -5.513 -25.852 -25.852 235 H VAL 35 HN VAL 35 -4.335 -23.319 -23.319 236 HA VAL 35 HA VAL 35 -1.554 -23.850 -23.850 237 HB VAL 35 HB VAL 35 -3.273 -21.382 -21.382 238 1HG1 VAL 35 HG11 VAL 35 -1.128 -20.928 -20.928 239 2HG1 VAL 35 HG13 VAL 35 -0.249 -21.330 -21.330 240 3HG1 VAL 35 HG12 VAL 35 -1.342 -19.945 -19.945 241 1HG2 VAL 35 HG23 VAL 35 -1.730 -22.925 -22.925 242 2HG2 VAL 35 HG22 VAL 35 -3.284 -22.105 -22.105 243 3HG2 VAL 35 HG21 VAL 35 -1.786 -21.175 -21.175 244 H ILE 36 HN ILE 36 -0.180 -24.212 -24.212 245 HA ILE 36 HA ILE 36 -0.992 -23.209 -23.209 246 HB ILE 36 HB ILE 36 0.648 -25.490 -25.490 247 1HG1 ILE 36 HG12 ILE 36 -1.613 -25.112 -25.112 248 2HG1 ILE 36 HG11 ILE 36 -1.626 -26.020 -26.020 249 1HG2 ILE 36 HG21 ILE 36 0.831 -24.340 -24.340 250 2HG2 ILE 36 HG23 ILE 36 1.447 -25.925 -25.925 251 3HG2 ILE 36 HG22 ILE 36 2.146 -24.465 -24.465 252 1HD1 ILE 36 HD12 ILE 36 0.062 -27.587 -27.587 253 2HD1 ILE 36 HD11 ILE 36 -0.129 -26.732 -26.732 254 3HD1 ILE 36 HD13 ILE 36 -1.494 -27.601 -27.601 255 H PHE 37 HN PHE 37 0.164 -21.481 -21.481 256 HA PHE 37 HA PHE 37 2.571 -20.570 -20.570 257 1HB PHE 37 HB2 PHE 37 0.804 -19.490 -19.490 258 2HB PHE 37 HB1 PHE 37 2.291 -18.672 -18.672 259 HD1 PHE 37 HD1 PHE 37 2.502 -17.598 -17.598 260 HD2 PHE 37 HD2 PHE 37 -1.122 -19.588 -19.588 261 HE1 PHE 37 HE1 PHE 37 1.294 -16.502 -16.502 262 HE2 PHE 37 HE2 PHE 37 -2.326 -18.491 -18.491 263 HZ PHE 37 HZ PHE 37 -1.121 -16.945 -16.945 264 H LEU 38 HN LEU 38 4.652 -20.752 -20.752 265 HA LEU 38 HA LEU 38 4.917 -22.258 -22.258 266 1HB LEU 38 HB2 LEU 38 5.983 -22.674 -22.674 267 2HB LEU 38 HB1 LEU 38 7.225 -21.615 -21.615 268 HG LEU 38 HG LEU 38 7.878 -23.856 -23.856 269 1HD1 LEU 38 HD13 LEU 38 7.993 -22.118 -22.118 270 2HD1 LEU 38 HD12 LEU 38 6.465 -22.749 -22.749 271 3HD1 LEU 38 HD11 LEU 38 7.898 -23.778 -23.778 272 1HD2 LEU 38 HD21 LEU 38 4.962 -24.140 -24.140 273 2HD2 LEU 38 HD23 LEU 38 6.001 -25.208 -25.208 274 3HD2 LEU 38 HD22 LEU 38 6.133 -25.177 -25.177 275 H THR 39 HN THR 39 5.379 -21.023 -21.023 276 HA THR 39 HA THR 39 6.378 -18.260 -18.260 277 HB THR 39 HB THR 39 5.667 -17.972 -17.972 278 HG1 THR 39 HG1 THR 39 6.037 -19.500 -19.500 279 1HG2 THR 39 HG22 THR 39 3.949 -19.486 -19.486 280 2HG2 THR 39 HG21 THR 39 3.494 -19.676 -19.676 281 3HG2 THR 39 HG23 THR 39 3.578 -18.067 -18.067 282 H LYS 40 HN LYS 40 8.306 -17.505 -17.505 283 HA LYS 40 HA LYS 40 10.553 -19.294 -19.294 284 1HB LYS 40 HB2 LYS 40 10.051 -16.573 -16.573 285 2HB LYS 40 HB1 LYS 40 10.782 -16.819 -16.819 286 1HG LYS 40 HG2 LYS 40 12.663 -18.037 -18.037 287 2HG LYS 40 HG1 LYS 40 11.949 -17.666 -17.666 288 1HD LYS 40 HD2 LYS 40 12.752 -15.555 -15.555 289 2HD LYS 40 HD1 LYS 40 12.178 -15.292 -15.292 290 1HE LYS 40 HE2 LYS 40 14.502 -15.165 -15.165 291 2HE LYS 40 HE1 LYS 40 14.218 -16.888 -16.888 292 1HZ LYS 40 HZ1 LYS 40 14.757 -15.785 -15.785 293 2HZ LYS 40 HZ3 LYS 40 15.984 -16.388 -16.388 294 3HZ LYS 40 HZ2 LYS 40 14.745 -17.418 -17.418 295 H LYS 41 HN LYS 41 8.353 -18.209 -18.209 296 HA LYS 41 HA LYS 41 9.957 -19.027 -19.027 297 1HB LYS 41 HB2 LYS 41 7.524 -17.720 -17.720 298 2HB LYS 41 HB1 LYS 41 7.089 -19.133 -19.133 299 1HG LYS 41 HG2 LYS 41 9.332 -17.257 -17.257 300 2HG LYS 41 HG1 LYS 41 7.672 -17.038 -17.038 301 1HD LYS 41 HD2 LYS 41 7.914 -18.649 -18.649 302 2HD LYS 41 HD1 LYS 41 8.513 -19.791 -19.791 303 1HE LYS 41 HE2 LYS 41 10.780 -18.877 -18.877 304 2HE LYS 41 HE1 LYS 41 10.198 -17.646 -17.646 305 1HZ LYS 41 HZ1 LYS 41 9.210 -19.686 -19.686 306 2HZ LYS 41 HZ3 LYS 41 10.364 -20.572 -20.572 307 3HZ LYS 41 HZ2 LYS 41 10.861 -19.340 -19.340 308 H GLY 42 HN GLY 42 8.550 -20.877 -20.877 309 1HA GLY 42 HA2 GLY 42 8.496 -23.254 -23.254 310 2HA GLY 42 HA1 GLY 42 8.806 -23.315 -23.315 311 H ARG 43 HN ARG 43 6.225 -21.971 -21.971 312 HA ARG 43 HA ARG 43 4.226 -23.610 -23.610 313 1HB ARG 43 HB2 ARG 43 4.856 -21.160 -21.160 314 2HB ARG 43 HB1 ARG 43 3.654 -20.694 -20.694 315 1HG ARG 43 HG2 ARG 43 2.287 -22.693 -22.693 316 2HG ARG 43 HG1 ARG 43 3.325 -22.342 -22.342 317 1HD ARG 43 HD2 ARG 43 1.829 -20.137 -20.137 318 2HD ARG 43 HD1 ARG 43 1.087 -21.056 -21.056 319 HE ARG 43 HE ARG 43 3.580 -19.417 -19.417 320 1HH1 ARG 43 HH11 ARG 43 3.190 -21.848 -21.848 321 2HH1 ARG 43 HH12 ARG 43 2.517 -21.080 -21.080 322 1HH2 ARG 43 HH21 ARG 43 1.737 -18.138 -18.138 323 2HH2 ARG 43 HH22 ARG 43 1.696 -18.980 -18.980 324 H GLN 44 HN GLN 44 2.881 -24.413 -24.413 325 HA GLN 44 HA GLN 44 2.810 -23.098 -23.098 326 1HB GLN 44 HB2 GLN 44 1.790 -25.215 -25.215 327 2HB GLN 44 HB1 GLN 44 3.210 -25.545 -25.545 328 1HG GLN 44 HG2 GLN 44 1.722 -25.804 -25.804 329 2HG GLN 44 HG1 GLN 44 0.324 -25.561 -25.561 330 1HE2 GLN 44 HE21 GLN 44 1.793 -27.065 -27.065 331 2HE2 GLN 44 HE22 GLN 44 1.638 -28.701 -28.701 332 H VAL 45 HN VAL 45 0.838 -22.455 -22.455 333 HA VAL 45 HA VAL 45 -1.530 -22.205 -22.205 334 HB VAL 45 HB VAL 45 -0.501 -20.198 -20.198 335 1HG1 VAL 45 HG11 VAL 45 -2.831 -20.376 -20.376 336 2HG1 VAL 45 HG13 VAL 45 -2.028 -18.808 -18.808 337 3HG1 VAL 45 HG12 VAL 45 -2.684 -19.552 -19.552 338 1HG2 VAL 45 HG21 VAL 45 -0.135 -20.351 -20.351 339 2HG2 VAL 45 HG23 VAL 45 1.132 -20.367 -20.367 340 3HG2 VAL 45 HG22 VAL 45 0.188 -18.903 -18.903 341 H CYS 46 HN CYS 46 -3.596 -22.309 -22.309 342 HA CYS 46 HA CYS 46 -3.412 -23.615 -23.615 343 1HB CYS 46 HB2 CYS 46 -5.310 -23.616 -23.616 344 2HB CYS 46 HB1 CYS 46 -5.946 -24.004 -24.004 345 H ALA 47 HN ALA 47 -4.147 -22.487 -22.487 346 HA ALA 47 HA ALA 47 -5.936 -20.132 -20.132 347 1HB ALA 47 HB3 ALA 47 -3.311 -20.360 -20.360 348 2HB ALA 47 HB2 ALA 47 -4.481 -19.133 -19.133 349 3HB ALA 47 HB1 ALA 47 -3.837 -19.136 -19.136 350 H LYS 48 HN LYS 48 -7.291 -19.598 -19.598 351 HA LYS 48 HA LYS 48 -8.332 -21.815 -21.815 352 1HB LYS 48 HB2 LYS 48 -8.797 -18.987 -18.987 353 2HB LYS 48 HB1 LYS 48 -9.028 -19.389 -19.389 354 1HG LYS 48 HG2 LYS 48 -10.315 -21.480 -21.480 355 2HG LYS 48 HG1 LYS 48 -10.574 -20.268 -20.268 356 1HD LYS 48 HD2 LYS 48 -11.025 -18.945 -18.945 357 2HD LYS 48 HD1 LYS 48 -11.845 -20.500 -20.500 358 1HE LYS 48 HE2 LYS 48 -13.378 -18.864 -18.864 359 2HE LYS 48 HE1 LYS 48 -12.922 -20.052 -20.052 360 1HZ LYS 48 HZ3 LYS 48 -11.382 -17.559 -17.559 361 2HZ LYS 48 HZ2 LYS 48 -12.683 -17.621 -17.621 362 3HZ LYS 48 HZ1 LYS 48 -11.316 -18.598 -18.598 363 HA PRO 49 HA PRO 49 -6.021 -21.826 -21.826 364 1HB PRO 49 HB2 PRO 49 -7.889 -21.617 -21.617 365 2HB PRO 49 HB1 PRO 49 -7.681 -23.082 -23.082 366 1HG PRO 49 HG2 PRO 49 -9.705 -20.903 -20.903 367 2HG PRO 49 HG1 PRO 49 -9.907 -22.652 -22.652 368 1HD PRO 49 HD2 PRO 49 -9.717 -20.935 -20.935 369 2HD PRO 49 HD1 PRO 49 -9.189 -22.630 -22.630 370 H SER 50 HN SER 50 -8.493 -19.263 -19.263 371 HA SER 50 HA SER 50 -6.460 -17.393 -17.393 372 1HB SER 50 HB2 SER 50 -9.338 -17.143 -17.143 373 2HB SER 50 HB1 SER 50 -7.895 -16.794 -16.794 374 HG SER 50 HG SER 50 -8.032 -18.713 -18.713 375 H GLY 51 HN GLY 51 -7.350 -17.780 -17.780 376 1HA GLY 51 HA2 GLY 51 -9.333 -16.127 -16.127 377 2HA GLY 51 HA1 GLY 51 -7.776 -16.301 -16.301 378 HA PRO 52 HA PRO 52 -8.447 -12.037 -12.037 379 1HB PRO 52 HB2 PRO 52 -9.362 -10.628 -10.628 380 2HB PRO 52 HB1 PRO 52 -10.437 -11.401 -11.401 381 1HG PRO 52 HG2 PRO 52 -9.571 -12.358 -12.358 382 2HG PRO 52 HG1 PRO 52 -11.171 -12.424 -12.424 383 1HD PRO 52 HD2 PRO 52 -9.517 -14.567 -14.567 384 2HD PRO 52 HD1 PRO 52 -10.651 -14.304 -14.304 385 H GLY 53 HN GLY 53 -6.117 -12.133 -12.133 386 1HA GLY 53 HA2 GLY 53 -4.307 -10.651 -10.651 387 2HA GLY 53 HA1 GLY 53 -4.918 -10.937 -10.937 388 H VAL 54 HN VAL 54 -5.353 -13.862 -13.862 389 HA VAL 54 HA VAL 54 -2.966 -14.966 -14.966 390 HB VAL 54 HB VAL 54 -5.307 -15.965 -15.965 391 1HG1 VAL 54 HG12 VAL 54 -2.737 -17.282 -17.282 392 2HG1 VAL 54 HG11 VAL 54 -4.023 -18.213 -18.213 393 3HG1 VAL 54 HG13 VAL 54 -4.138 -17.786 -17.786 394 1HG2 VAL 54 HG22 VAL 54 -5.038 -15.354 -15.354 395 2HG2 VAL 54 HG21 VAL 54 -6.169 -16.562 -16.562 396 3HG2 VAL 54 HG23 VAL 54 -4.600 -17.062 -17.062 397 H GLN 55 HN GLN 55 -4.029 -14.666 -14.666 398 HA GLN 55 HA GLN 55 -1.653 -15.889 -15.889 399 1HB GLN 55 HB2 GLN 55 -3.996 -15.444 -15.444 400 2HB GLN 55 HB1 GLN 55 -3.406 -13.809 -13.809 401 1HG GLN 55 HG2 GLN 55 -2.886 -14.960 -14.960 402 2HG GLN 55 HG1 GLN 55 -1.367 -14.979 -14.979 403 1HE2 GLN 55 HE21 GLN 55 -0.567 -17.002 -17.002 404 2HE2 GLN 55 HE22 GLN 55 -1.340 -18.483 -18.483 405 H ASP 56 HN ASP 56 -2.515 -12.647 -12.647 406 HA ASP 56 HA ASP 56 -0.339 -11.239 -11.239 407 1HB ASP 56 HB2 ASP 56 -2.515 -10.379 -10.379 408 2HB ASP 56 HB1 ASP 56 -1.694 -10.581 -10.581 409 H CYS 57 HN CYS 57 -0.724 -12.985 -12.985 410 HA CYS 57 HA CYS 57 1.768 -12.180 -12.180 411 1HB CYS 57 HB2 CYS 57 0.133 -14.724 -14.724 412 2HB CYS 57 HB1 CYS 57 1.289 -14.099 -14.099 413 H MET 58 HN MET 58 0.844 -15.047 -15.047 414 HA MET 58 HA MET 58 3.498 -16.184 -16.184 415 1HB MET 58 HB2 MET 58 1.293 -16.477 -16.477 416 2HB MET 58 HB1 MET 58 2.526 -17.657 -17.657 417 1HG MET 58 HG2 MET 58 1.494 -17.495 -17.495 418 2HG MET 58 HG1 MET 58 0.101 -16.795 -16.795 419 1HE MET 58 HE2 MET 58 -0.072 -17.676 -17.676 420 2HE MET 58 HE1 MET 58 0.932 -19.044 -19.044 421 3HE MET 58 HE3 MET 58 -0.800 -19.269 -19.269 422 H LYS 59 HN LYS 59 1.905 -13.649 -13.649 423 HA LYS 59 HA LYS 59 3.553 -13.676 -13.676 424 1HB LYS 59 HB2 LYS 59 1.398 -12.234 -12.234 425 2HB LYS 59 HB1 LYS 59 2.673 -11.040 -11.040 426 1HG LYS 59 HG2 LYS 59 2.564 -11.211 -11.211 427 2HG LYS 59 HG1 LYS 59 2.305 -12.955 -12.955 428 1HD LYS 59 HD2 LYS 59 -0.045 -12.551 -12.551 429 2HD LYS 59 HD1 LYS 59 0.230 -10.817 -10.817 430 1HE LYS 59 HE2 LYS 59 1.084 -12.194 -12.194 431 2HE LYS 59 HE1 LYS 59 -0.608 -12.577 -12.577 432 1HZ LYS 59 HZ2 LYS 59 0.423 -9.817 -9.817 433 2HZ LYS 59 HZ1 LYS 59 -0.107 -10.402 -10.402 434 3HZ LYS 59 HZ3 LYS 59 -1.183 -10.337 -10.337 435 H LYS 60 HN LYS 60 3.746 -11.773 -11.773 436 HA LYS 60 HA LYS 60 6.261 -10.509 -10.509 437 1HB LYS 60 HB2 LYS 60 4.280 -10.592 -10.592 438 2HB LYS 60 HB1 LYS 60 5.899 -10.656 -10.656 439 1HG LYS 60 HG2 LYS 60 5.314 -8.680 -8.680 440 2HG LYS 60 HG1 LYS 60 4.796 -8.323 -8.323 441 1HD LYS 60 HD2 LYS 60 7.412 -9.267 -9.267 442 2HD LYS 60 HD1 LYS 60 7.474 -8.248 -8.248 443 1HE LYS 60 HE2 LYS 60 5.868 -6.992 -6.992 444 2HE LYS 60 HE1 LYS 60 7.506 -7.350 -7.350 445 1HZ LYS 60 HZ3 LYS 60 8.391 -6.367 -6.367 446 2HZ LYS 60 HZ2 LYS 60 6.819 -6.008 -6.008 447 3HZ LYS 60 HZ1 LYS 60 7.450 -5.235 -5.235 448 H LEU 61 HN LEU 61 5.359 -13.601 -13.601 449 HA LEU 61 HA LEU 61 7.952 -14.156 -14.156 450 1HB LEU 61 HB2 LEU 61 5.307 -15.326 -15.326 451 2HB LEU 61 HB1 LEU 61 6.558 -16.546 -16.546 452 HG LEU 61 HG LEU 61 7.545 -16.082 -16.082 453 1HD1 LEU 61 HD12 LEU 61 6.109 -13.531 -13.531 454 2HD1 LEU 61 HD11 LEU 61 6.051 -14.174 -14.174 455 3HD1 LEU 61 HD13 LEU 61 7.607 -13.871 -13.871 456 1HD2 LEU 61 HD23 LEU 61 4.621 -16.479 -16.479 457 2HD2 LEU 61 HD22 LEU 61 5.839 -17.428 -17.428 458 3HD2 LEU 61 HD21 LEU 61 5.203 -15.952 -15.952 459 H LYS 62 HN LYS 62 7.153 -13.792 -13.792 460 HA LYS 62 HA LYS 62 8.284 -16.145 -16.145 461 1HB LYS 62 HB2 LYS 62 6.733 -14.367 -14.367 462 2HB LYS 62 HB1 LYS 62 8.155 -13.332 -13.332 463 1HG LYS 62 HG2 LYS 62 8.482 -14.318 -14.318 464 2HG LYS 62 HG1 LYS 62 9.016 -15.728 -15.728 465 1HD LYS 62 HD2 LYS 62 6.258 -15.955 -15.955 466 2HD LYS 62 HD1 LYS 62 6.552 -15.326 -15.326 467 1HE LYS 62 HE2 LYS 62 8.075 -17.692 -17.692 468 2HE LYS 62 HE1 LYS 62 6.606 -17.864 -17.864 469 1HZ LYS 62 HZ2 LYS 62 7.923 -16.109 -16.109 470 2HZ LYS 62 HZ1 LYS 62 9.257 -16.898 -16.898 471 3HZ LYS 62 HZ3 LYS 62 8.128 -17.784 -17.784 472 HA PRO 63 HA PRO 63 12.498 -14.994 -14.994 473 1HB PRO 63 HB2 PRO 63 13.633 -17.274 -17.274 474 2HB PRO 63 HB1 PRO 63 12.834 -17.204 -17.204 475 1HG PRO 63 HG2 PRO 63 11.831 -18.265 -18.265 476 2HG PRO 63 HG1 PRO 63 11.580 -18.876 -18.876 477 1HD PRO 63 HD2 PRO 63 9.725 -17.421 -17.421 478 2HD PRO 63 HD1 PRO 63 9.790 -17.505 -17.505 479 H TYR 64 HN TYR 64 14.630 -15.475 -15.475 480 HA TYR 64 HA TYR 64 15.720 -14.622 -14.622 481 1HB TYR 64 HB2 TYR 64 13.316 -15.944 -15.944 482 2HB TYR 64 HB1 TYR 64 14.917 -15.737 -15.737 483 HD1 TYR 64 HD1 TYR 64 16.556 -16.357 -16.357 484 HD2 TYR 64 HD2 TYR 64 13.169 -18.334 -18.334 485 HE1 TYR 64 HE1 TYR 64 17.281 -18.500 -18.500 486 HE2 TYR 64 HE2 TYR 64 13.895 -20.477 -20.477 487 HH TYR 64 HH TYR 64 15.850 -20.783 -20.783 488 H SER 65 HN SER 65 13.721 -12.785 -12.785 489 HA SER 65 HA SER 65 11.990 -11.503 -11.503 490 1HB SER 65 HB2 SER 65 12.816 -9.426 -9.426 491 2HB SER 65 HB1 SER 65 11.974 -10.746 -10.746 492 HG SER 65 HG SER 65 14.731 -10.961 -10.961 493 H ILE 66 HN ILE 66 12.415 -9.372 -9.372 494 HA ILE 66 HA ILE 66 15.146 -9.379 -9.379 495 HB ILE 66 HB ILE 66 12.614 -8.388 -8.388 496 1HG1 ILE 66 HG12 ILE 66 12.899 -10.878 -10.878 497 2HG1 ILE 66 HG11 ILE 66 13.397 -11.182 -11.182 498 1HG2 ILE 66 HG21 ILE 66 15.392 -8.818 -8.818 499 2HG2 ILE 66 HG23 ILE 66 14.313 -9.720 -9.720 500 3HG2 ILE 66 HG22 ILE 66 14.125 -7.975 -7.975 501 1HD1 ILE 66 HD13 ILE 66 11.150 -9.548 -9.548 502 2HD1 ILE 66 HD12 ILE 66 10.733 -10.643 -10.643 503 3HD1 ILE 66 HD11 ILE 66 11.198 -11.292 -11.292 Start of MODEL 16 1 1H HIS 1 HT3 HIS 1 -0.418 -42.252 -42.252 2 2H HIS 1 HT2 HIS 1 -1.924 -41.561 -41.561 3 3H HIS 1 HT1 HIS 1 -1.279 -41.407 -41.407 4 HA HIS 1 HA HIS 1 0.476 -39.985 -39.985 5 1HB HIS 1 HB2 HIS 1 -2.351 -39.536 -39.536 6 2HB HIS 1 HB1 HIS 1 -1.595 -38.590 -38.590 7 HD1 HIS 1 HD1 HIS 1 -1.516 -39.073 -39.073 8 HD2 HIS 1 HD2 HIS 1 -0.051 -36.414 -36.414 9 HE1 HIS 1 HE1 HIS 1 -0.552 -37.108 -37.108 10 H PHE 2 HN PHE 2 0.798 -38.418 -38.418 11 HA PHE 2 HA PHE 2 0.512 -39.933 -39.933 12 1HB PHE 2 HB2 PHE 2 2.617 -40.634 -40.634 13 2HB PHE 2 HB1 PHE 2 3.158 -38.957 -38.957 14 HD1 PHE 2 HD1 PHE 2 3.258 -37.806 -37.806 15 HD2 PHE 2 HD2 PHE 2 2.995 -42.061 -42.061 16 HE1 PHE 2 HE1 PHE 2 4.104 -38.147 -38.147 17 HE2 PHE 2 HE2 PHE 2 3.840 -42.401 -42.401 18 HZ PHE 2 HZ PHE 2 4.394 -40.445 -40.445 19 H ALA 3 HN ALA 3 -0.165 -38.452 -38.452 20 HA ALA 3 HA ALA 3 0.338 -35.561 -35.561 21 1HB ALA 3 HB3 ALA 3 -1.666 -37.268 -37.268 22 2HB ALA 3 HB2 ALA 3 -1.306 -35.755 -35.755 23 3HB ALA 3 HB1 ALA 3 -1.883 -35.729 -35.729 24 H ALA 4 HN ALA 4 0.604 -34.317 -34.317 25 HA ALA 4 HA ALA 4 2.403 -35.803 -35.803 26 1HB ALA 4 HB2 ALA 4 3.539 -34.559 -34.559 27 2HB ALA 4 HB1 ALA 4 3.146 -33.096 -33.096 28 3HB ALA 4 HB3 ALA 4 4.195 -34.319 -34.319 29 H ASP 5 HN ASP 5 1.461 -32.393 -32.393 30 HA ASP 5 HA ASP 5 0.475 -32.299 -32.299 31 1HB ASP 5 HB2 ASP 5 1.441 -30.007 -30.007 32 2HB ASP 5 HB1 ASP 5 1.255 -30.028 -30.028 33 H CYS 6 HN CYS 6 -1.571 -31.348 -31.348 34 HA CYS 6 HA CYS 6 -3.032 -30.223 -30.223 35 1HB CYS 6 HB2 CYS 6 -3.644 -32.739 -32.739 36 2HB CYS 6 HB1 CYS 6 -4.948 -31.829 -31.829 37 H CYS 7 HN CYS 7 -4.794 -28.863 -28.863 38 HA CYS 7 HA CYS 7 -4.615 -27.892 -27.892 39 1HB CYS 7 HB2 CYS 7 -5.574 -26.978 -26.978 40 2HB CYS 7 HB1 CYS 7 -6.484 -26.378 -26.378 41 H THR 8 HN THR 8 -6.229 -28.220 -28.220 42 HA THR 8 HA THR 8 -8.521 -29.961 -29.961 43 HB THR 8 HB THR 8 -6.960 -30.572 -30.572 44 HG1 THR 8 HG1 THR 8 -9.693 -30.131 -30.131 45 1HG2 THR 8 HG21 THR 8 -7.306 -27.845 -27.845 46 2HG2 THR 8 HG23 THR 8 -8.061 -28.760 -28.760 47 3HG2 THR 8 HG22 THR 8 -6.371 -29.046 -29.046 48 H SER 9 HN SER 9 -7.704 -26.735 -26.735 49 HA SER 9 HA SER 9 -10.496 -25.859 -25.859 50 1HB SER 9 HB2 SER 9 -10.869 -25.370 -25.370 51 2HB SER 9 HB1 SER 9 -9.650 -26.616 -26.616 52 HG SER 9 HG SER 9 -9.055 -24.768 -24.768 53 H TYR 10 HN TYR 10 -9.936 -23.278 -23.278 54 HA TYR 10 HA TYR 10 -7.549 -22.259 -22.259 55 1HB TYR 10 HB2 TYR 10 -10.400 -21.368 -21.368 56 2HB TYR 10 HB1 TYR 10 -8.956 -20.626 -20.626 57 HD1 TYR 10 HD1 TYR 10 -7.261 -22.387 -22.387 58 HD2 TYR 10 HD2 TYR 10 -11.476 -23.012 -23.012 59 HE1 TYR 10 HE1 TYR 10 -7.233 -24.115 -24.115 60 HE2 TYR 10 HE2 TYR 10 -11.448 -24.739 -24.739 61 HH TYR 10 HH TYR 10 -10.229 -25.660 -25.660 62 H ILE 11 HN ILE 11 -6.908 -20.165 -20.165 63 HA ILE 11 HA ILE 11 -7.242 -19.594 -19.594 64 HB ILE 11 HB ILE 11 -6.110 -17.545 -17.545 65 1HG1 ILE 11 HG12 ILE 11 -7.820 -16.842 -16.842 66 2HG1 ILE 11 HG11 ILE 11 -6.147 -16.492 -16.492 67 1HG2 ILE 11 HG23 ILE 11 -4.990 -19.790 -19.790 68 2HG2 ILE 11 HG22 ILE 11 -5.286 -19.312 -19.312 69 3HG2 ILE 11 HG21 ILE 11 -4.278 -18.306 -18.306 70 1HD1 ILE 11 HD11 ILE 11 -6.133 -18.707 -18.707 71 2HD1 ILE 11 HD13 ILE 11 -7.879 -18.760 -18.760 72 3HD1 ILE 11 HD12 ILE 11 -7.161 -17.453 -17.453 73 H SER 12 HN SER 12 -8.219 -17.338 -17.338 74 HA SER 12 HA SER 12 -11.059 -17.330 -17.330 75 1HB SER 12 HB2 SER 12 -10.774 -15.689 -15.689 76 2HB SER 12 HB1 SER 12 -11.248 -17.386 -17.386 77 HG SER 12 HG SER 12 -9.327 -16.658 -16.658 78 H GLN 13 HN GLN 13 -8.286 -15.668 -15.668 79 HA GLN 13 HA GLN 13 -9.817 -13.359 -13.359 80 1HB GLN 13 HB2 GLN 13 -8.287 -11.774 -11.774 81 2HB GLN 13 HB1 GLN 13 -9.299 -12.717 -12.717 82 1HG GLN 13 HG2 GLN 13 -7.526 -13.960 -13.960 83 2HG GLN 13 HG1 GLN 13 -6.655 -13.877 -13.877 84 1HE2 GLN 13 HE21 GLN 13 -4.745 -12.726 -12.726 85 2HE2 GLN 13 HE22 GLN 13 -4.597 -11.320 -11.320 86 H SER 14 HN SER 14 -7.865 -11.743 -11.743 87 HA SER 14 HA SER 14 -6.689 -13.047 -13.047 88 1HB SER 14 HB2 SER 14 -5.868 -10.567 -10.567 89 2HB SER 14 HB1 SER 14 -5.271 -10.970 -10.970 90 HG SER 14 HG SER 14 -8.030 -10.887 -10.887 91 H ILE 15 HN ILE 15 -4.560 -13.896 -13.896 92 HA ILE 15 HA ILE 15 -3.326 -15.189 -15.189 93 HB ILE 15 HB ILE 15 -2.563 -14.736 -14.736 94 1HG1 ILE 15 HG12 ILE 15 -4.506 -16.225 -16.225 95 2HG1 ILE 15 HG11 ILE 15 -3.168 -17.083 -17.083 96 1HG2 ILE 15 HG23 ILE 15 -0.564 -15.015 -15.015 97 2HG2 ILE 15 HG22 ILE 15 -1.196 -16.621 -16.621 98 3HG2 ILE 15 HG21 ILE 15 -0.704 -16.220 -16.220 99 1HD1 ILE 15 HD11 ILE 15 -2.505 -17.286 -17.286 100 2HD1 ILE 15 HD13 ILE 15 -4.264 -17.369 -17.369 101 3HD1 ILE 15 HD12 ILE 15 -3.360 -18.525 -18.525 102 HA PRO 16 HA PRO 16 -0.728 -11.776 -11.776 103 1HB PRO 16 HB2 PRO 16 0.788 -13.112 -13.112 104 2HB PRO 16 HB1 PRO 16 -0.883 -12.610 -12.610 105 1HG PRO 16 HG2 PRO 16 0.197 -15.284 -15.284 106 2HG PRO 16 HG1 PRO 16 -1.143 -14.858 -14.858 107 1HD PRO 16 HD2 PRO 16 -1.408 -15.799 -15.799 108 2HD PRO 16 HD1 PRO 16 -2.652 -14.893 -14.893 109 H CYS 17 HN CYS 17 0.388 -11.739 -11.739 110 HA CYS 17 HA CYS 17 2.471 -13.534 -13.534 111 1HB CYS 17 HB2 CYS 17 2.363 -10.561 -10.561 112 2HB CYS 17 HB1 CYS 17 3.021 -11.825 -11.825 113 H SER 18 HN SER 18 2.397 -10.803 -10.803 114 HA SER 18 HA SER 18 5.249 -10.389 -10.389 115 1HB SER 18 HB2 SER 18 3.689 -8.670 -8.670 116 2HB SER 18 HB1 SER 18 2.839 -9.746 -9.746 117 HG SER 18 HG SER 18 4.133 -8.751 -8.751 118 H LEU 19 HN LEU 19 3.660 -13.150 -13.150 119 HA LEU 19 HA LEU 19 5.520 -13.763 -13.763 120 1HB LEU 19 HB2 LEU 19 2.549 -13.855 -13.855 121 2HB LEU 19 HB1 LEU 19 3.325 -15.211 -15.211 122 HG LEU 19 HG LEU 19 4.639 -12.898 -12.898 123 1HD1 LEU 19 HD12 LEU 19 1.623 -12.585 -12.585 124 2HD1 LEU 19 HD11 LEU 19 2.721 -11.595 -11.595 125 3HD1 LEU 19 HD13 LEU 19 2.792 -11.535 -11.535 126 1HD2 LEU 19 HD22 LEU 19 2.992 -15.104 -15.104 127 2HD2 LEU 19 HD21 LEU 19 4.414 -14.352 -14.352 128 3HD2 LEU 19 HD23 LEU 19 2.819 -13.641 -13.641 129 H MET 20 HN MET 20 5.440 -14.350 -14.350 130 HA MET 20 HA MET 20 5.703 -17.312 -17.312 131 1HB MET 20 HB2 MET 20 4.494 -16.182 -16.182 132 2HB MET 20 HB1 MET 20 4.222 -17.748 -17.748 133 1HG MET 20 HG2 MET 20 3.249 -15.167 -15.167 134 2HG MET 20 HG1 MET 20 2.281 -16.095 -16.095 135 1HE MET 20 HE1 MET 20 0.544 -16.260 -16.260 136 2HE MET 20 HE3 MET 20 0.447 -18.026 -18.026 137 3HE MET 20 HE2 MET 20 0.235 -17.135 -17.135 138 H LYS 21 HN LYS 21 7.448 -18.108 -18.108 139 HA LYS 21 HA LYS 21 9.215 -16.140 -16.140 140 1HB LYS 21 HB2 LYS 21 10.256 -17.544 -17.544 141 2HB LYS 21 HB1 LYS 21 9.430 -18.981 -18.981 142 1HG LYS 21 HG2 LYS 21 10.832 -19.174 -19.174 143 2HG LYS 21 HG1 LYS 21 11.240 -17.457 -17.457 144 1HD LYS 21 HD2 LYS 21 12.082 -18.559 -18.559 145 2HD LYS 21 HD1 LYS 21 12.672 -19.616 -19.616 146 1HE LYS 21 HE2 LYS 21 12.970 -16.628 -16.628 147 2HE LYS 21 HE1 LYS 21 14.140 -17.558 -17.558 148 1HZ LYS 21 HZ3 LYS 21 13.337 -18.701 -18.701 149 2HZ LYS 21 HZ2 LYS 21 14.304 -17.306 -17.306 150 3HZ LYS 21 HZ1 LYS 21 14.863 -18.680 -18.680 151 H SER 22 HN SER 22 7.367 -19.088 -19.088 152 HA SER 22 HA SER 22 7.682 -18.442 -18.442 153 1HB SER 22 HB2 SER 22 9.195 -20.366 -20.366 154 2HB SER 22 HB1 SER 22 7.950 -21.292 -21.292 155 HG SER 22 HG SER 22 9.773 -19.428 -19.428 156 H TYR 23 HN TYR 23 6.302 -20.302 -20.302 157 HA TYR 23 HA TYR 23 3.892 -21.083 -21.083 158 1HB TYR 23 HB2 TYR 23 2.415 -19.816 -19.816 159 2HB TYR 23 HB1 TYR 23 3.679 -18.705 -18.705 160 HD1 TYR 23 HD1 TYR 23 2.640 -20.937 -20.937 161 HD2 TYR 23 HD2 TYR 23 5.126 -17.661 -17.661 162 HE1 TYR 23 HE1 TYR 23 3.263 -20.511 -20.511 163 HE2 TYR 23 HE2 TYR 23 5.749 -17.237 -17.237 164 HH TYR 23 HH TYR 23 5.539 -19.269 -19.269 165 H PHE 24 HN PHE 24 2.707 -22.800 -22.800 166 HA PHE 24 HA PHE 24 3.788 -23.695 -23.695 167 1HB PHE 24 HB2 PHE 24 4.573 -25.757 -25.757 168 2HB PHE 24 HB1 PHE 24 5.066 -24.616 -24.616 169 HD1 PHE 24 HD1 PHE 24 2.360 -27.032 -27.032 170 HD2 PHE 24 HD2 PHE 24 4.310 -24.853 -24.853 171 HE1 PHE 24 HE1 PHE 24 1.073 -28.313 -28.313 172 HE2 PHE 24 HE2 PHE 24 3.022 -26.140 -26.140 173 HZ PHE 24 HZ PHE 24 1.403 -27.870 -27.870 174 H GLU 25 HN GLU 25 2.326 -24.996 -24.996 175 HA GLU 25 HA GLU 25 -0.466 -24.947 -24.947 176 1HB GLU 25 HB2 GLU 25 0.757 -25.772 -25.772 177 2HB GLU 25 HB1 GLU 25 -0.956 -25.485 -25.485 178 1HG GLU 25 HG2 GLU 25 -0.550 -23.145 -23.145 179 2HG GLU 25 HG1 GLU 25 1.196 -23.389 -23.389 180 H THR 26 HN THR 26 -1.643 -26.840 -26.840 181 HA THR 26 HA THR 26 -0.163 -29.231 -29.231 182 HB THR 26 HB THR 26 -2.430 -30.054 -30.054 183 HG1 THR 26 HG1 THR 26 -3.293 -28.915 -28.915 184 1HG2 THR 26 HG22 THR 26 -1.558 -27.295 -27.295 185 2HG2 THR 26 HG21 THR 26 -3.149 -27.841 -27.841 186 3HG2 THR 26 HG23 THR 26 -1.705 -28.737 -28.737 187 H SER 27 HN SER 27 -1.116 -31.425 -31.425 188 HA SER 27 HA SER 27 -0.655 -31.460 -31.460 189 1HB SER 27 HB2 SER 27 -1.560 -33.660 -33.660 190 2HB SER 27 HB1 SER 27 -0.720 -33.858 -33.858 191 HG SER 27 HG SER 27 1.037 -32.686 -32.686 192 H SER 28 HN SER 28 -2.217 -31.767 -31.767 193 HA SER 28 HA SER 28 -4.960 -31.102 -31.102 194 1HB SER 28 HB2 SER 28 -3.419 -32.184 -32.184 195 2HB SER 28 HB1 SER 28 -5.157 -31.902 -31.902 196 HG SER 28 HG SER 28 -4.774 -29.861 -29.861 197 H GLU 29 HN GLU 29 -3.262 -33.972 -33.972 198 HA GLU 29 HA GLU 29 -5.280 -35.911 -35.911 199 1HB GLU 29 HB2 GLU 29 -2.967 -36.545 -36.545 200 2HB GLU 29 HB1 GLU 29 -2.864 -35.909 -35.909 201 1HG GLU 29 HG2 GLU 29 -4.406 -37.621 -37.621 202 2HG GLU 29 HG1 GLU 29 -4.648 -38.213 -38.213 203 H CYS 30 HN CYS 30 -4.830 -33.810 -33.810 204 HA CYS 30 HA CYS 30 -6.317 -35.344 -35.344 205 1HB CYS 30 HB2 CYS 30 -4.932 -32.825 -32.825 206 2HB CYS 30 HB1 CYS 30 -6.482 -32.561 -32.561 207 H SER 31 HN SER 31 -8.522 -34.960 -34.960 208 HA SER 31 HA SER 31 -10.438 -34.608 -34.608 209 1HB SER 31 HB2 SER 31 -11.016 -35.796 -35.796 210 2HB SER 31 HB1 SER 31 -10.503 -34.462 -34.462 211 HG SER 31 HG SER 31 -12.470 -33.797 -33.797 212 H LYS 32 HN LYS 32 -8.660 -32.309 -32.309 213 HA LYS 32 HA LYS 32 -10.047 -30.091 -30.091 214 1HB LYS 32 HB2 LYS 32 -10.560 -28.957 -28.957 215 2HB LYS 32 HB1 LYS 32 -11.290 -30.561 -30.561 216 1HG LYS 32 HG2 LYS 32 -9.281 -31.403 -31.403 217 2HG LYS 32 HG1 LYS 32 -8.698 -29.741 -29.741 218 1HD LYS 32 HD2 LYS 32 -9.968 -29.446 -29.446 219 2HD LYS 32 HD1 LYS 32 -11.405 -29.698 -29.698 220 1HE LYS 32 HE2 LYS 32 -10.313 -32.274 -32.274 221 2HE LYS 32 HE1 LYS 32 -10.291 -31.441 -31.441 222 1HZ LYS 32 HZ3 LYS 32 -12.591 -30.724 -30.724 223 2HZ LYS 32 HZ2 LYS 32 -12.599 -31.641 -31.641 224 3HZ LYS 32 HZ1 LYS 32 -12.461 -32.413 -32.413 225 HA PRO 33 HA PRO 33 -5.740 -28.962 -28.962 226 1HB PRO 33 HB2 PRO 33 -6.022 -26.641 -26.641 227 2HB PRO 33 HB1 PRO 33 -6.038 -28.246 -28.246 228 1HG PRO 33 HG2 PRO 33 -8.314 -26.453 -26.453 229 2HG PRO 33 HG1 PRO 33 -8.089 -27.486 -27.486 230 1HD PRO 33 HD2 PRO 33 -9.675 -28.149 -28.149 231 2HD PRO 33 HD1 PRO 33 -8.890 -29.344 -29.344 232 H GLY 34 HN GLY 34 -4.738 -26.475 -26.475 233 1HA GLY 34 HA2 GLY 34 -5.892 -24.504 -24.504 234 2HA GLY 34 HA1 GLY 34 -5.513 -25.745 -25.745 235 H VAL 35 HN VAL 35 -4.318 -23.011 -23.011 236 HA VAL 35 HA VAL 35 -1.505 -23.759 -23.759 237 HB VAL 35 HB VAL 35 -3.073 -21.178 -21.178 238 1HG1 VAL 35 HG13 VAL 35 -0.775 -20.914 -20.914 239 2HG1 VAL 35 HG12 VAL 35 -0.111 -21.472 -21.472 240 3HG1 VAL 35 HG11 VAL 35 -1.027 -19.967 -19.967 241 1HG2 VAL 35 HG23 VAL 35 -1.646 -22.639 -22.639 242 2HG2 VAL 35 HG22 VAL 35 -3.376 -22.323 -22.323 243 3HG2 VAL 35 HG21 VAL 35 -2.257 -20.992 -20.992 244 H ILE 36 HN ILE 36 -0.276 -24.296 -24.296 245 HA ILE 36 HA ILE 36 -1.034 -23.123 -23.123 246 HB ILE 36 HB ILE 36 0.558 -25.506 -25.506 247 1HG1 ILE 36 HG12 ILE 36 -1.884 -25.062 -25.062 248 2HG1 ILE 36 HG11 ILE 36 -1.786 -25.925 -25.925 249 1HG2 ILE 36 HG21 ILE 36 1.811 -24.359 -24.359 250 2HG2 ILE 36 HG23 ILE 36 0.376 -24.506 -24.506 251 3HG2 ILE 36 HG22 ILE 36 1.216 -25.953 -25.953 252 1HD1 ILE 36 HD13 ILE 36 -0.446 -26.770 -26.770 253 2HD1 ILE 36 HD12 ILE 36 -1.893 -27.504 -27.504 254 3HD1 ILE 36 HD11 ILE 36 -0.349 -27.636 -27.636 255 H PHE 37 HN PHE 37 0.270 -21.600 -21.600 256 HA PHE 37 HA PHE 37 2.752 -20.825 -20.825 257 1HB PHE 37 HB2 PHE 37 1.027 -19.606 -19.606 258 2HB PHE 37 HB1 PHE 37 2.562 -18.891 -18.891 259 HD1 PHE 37 HD1 PHE 37 -0.838 -19.815 -19.815 260 HD2 PHE 37 HD2 PHE 37 2.794 -17.714 -17.714 261 HE1 PHE 37 HE1 PHE 37 -1.958 -18.720 -18.720 262 HE2 PHE 37 HE2 PHE 37 1.676 -16.623 -16.623 263 HZ PHE 37 HZ PHE 37 -0.701 -17.123 -17.123 264 H LEU 38 HN LEU 38 4.783 -21.216 -21.216 265 HA LEU 38 HA LEU 38 4.891 -22.654 -22.654 266 1HB LEU 38 HB2 LEU 38 6.099 -22.946 -22.946 267 2HB LEU 38 HB1 LEU 38 7.385 -22.371 -22.371 268 HG LEU 38 HG LEU 38 5.697 -24.419 -24.419 269 1HD1 LEU 38 HD11 LEU 38 6.137 -24.874 -24.874 270 2HD1 LEU 38 HD13 LEU 38 7.529 -25.665 -25.665 271 3HD1 LEU 38 HD12 LEU 38 5.895 -26.136 -26.136 272 1HD2 LEU 38 HD22 LEU 38 7.944 -23.485 -23.485 273 2HD2 LEU 38 HD21 LEU 38 7.820 -25.244 -25.244 274 3HD2 LEU 38 HD23 LEU 38 8.672 -24.405 -24.405 275 H THR 39 HN THR 39 5.408 -21.407 -21.407 276 HA THR 39 HA THR 39 6.582 -18.736 -18.736 277 HB THR 39 HB THR 39 5.767 -18.287 -18.287 278 HG1 THR 39 HG1 THR 39 6.009 -19.660 -19.660 279 1HG2 THR 39 HG23 THR 39 4.044 -19.300 -19.300 280 2HG2 THR 39 HG22 THR 39 3.893 -20.551 -20.551 281 3HG2 THR 39 HG21 THR 39 3.539 -18.870 -18.870 282 H LYS 40 HN LYS 40 8.372 -18.026 -18.026 283 HA LYS 40 HA LYS 40 10.681 -19.702 -19.702 284 1HB LYS 40 HB2 LYS 40 9.925 -17.056 -17.056 285 2HB LYS 40 HB1 LYS 40 11.065 -17.732 -17.732 286 1HG LYS 40 HG2 LYS 40 12.640 -18.249 -18.249 287 2HG LYS 40 HG1 LYS 40 11.487 -17.669 -17.669 288 1HD LYS 40 HD2 LYS 40 11.762 -15.436 -15.436 289 2HD LYS 40 HD1 LYS 40 12.305 -15.849 -15.849 290 1HE LYS 40 HE2 LYS 40 14.088 -16.935 -16.935 291 2HE LYS 40 HE1 LYS 40 13.970 -15.166 -15.166 292 1HZ LYS 40 HZ1 LYS 40 14.114 -16.420 -16.420 293 2HZ LYS 40 HZ3 LYS 40 15.543 -16.384 -16.384 294 3HZ LYS 40 HZ2 LYS 40 14.746 -14.934 -14.934 295 H LYS 41 HN LYS 41 8.420 -19.155 -19.155 296 HA LYS 41 HA LYS 41 10.014 -20.449 -20.449 297 1HB LYS 41 HB2 LYS 41 7.439 -19.178 -19.178 298 2HB LYS 41 HB1 LYS 41 7.266 -20.645 -20.645 299 1HG LYS 41 HG2 LYS 41 9.242 -19.833 -19.833 300 2HG LYS 41 HG1 LYS 41 9.101 -18.293 -18.293 301 1HD LYS 41 HD2 LYS 41 6.626 -19.443 -19.443 302 2HD LYS 41 HD1 LYS 41 7.823 -18.735 -18.735 303 1HE LYS 41 HE2 LYS 41 6.509 -16.861 -16.861 304 2HE LYS 41 HE1 LYS 41 7.775 -16.748 -16.748 305 1HZ LYS 41 HZ2 LYS 41 5.653 -18.562 -18.562 306 2HZ LYS 41 HZ1 LYS 41 5.102 -16.969 -16.969 307 3HZ LYS 41 HZ3 LYS 41 6.336 -17.298 -17.298 308 H GLY 42 HN GLY 42 8.544 -21.729 -21.729 309 1HA GLY 42 HA2 GLY 42 8.580 -24.055 -24.055 310 2HA GLY 42 HA1 GLY 42 8.725 -24.457 -24.457 311 H ARG 43 HN ARG 43 6.329 -22.118 -22.118 312 HA ARG 43 HA ARG 43 4.201 -24.052 -24.052 313 1HB ARG 43 HB2 ARG 43 4.793 -21.294 -21.294 314 2HB ARG 43 HB1 ARG 43 3.300 -21.372 -21.372 315 1HG ARG 43 HG2 ARG 43 2.618 -23.209 -23.209 316 2HG ARG 43 HG1 ARG 43 3.875 -22.475 -22.475 317 1HD ARG 43 HD2 ARG 43 1.455 -21.064 -21.064 318 2HD ARG 43 HD1 ARG 43 1.774 -21.372 -21.372 319 HE ARG 43 HE ARG 43 3.935 -19.936 -19.936 320 1HH1 ARG 43 HH11 ARG 43 1.202 -18.461 -18.461 321 2HH1 ARG 43 HH12 ARG 43 1.349 -17.400 -17.400 322 1HH2 ARG 43 HH21 ARG 43 4.029 -19.112 -19.112 323 2HH2 ARG 43 HH22 ARG 43 2.947 -17.770 -17.770 324 H GLN 44 HN GLN 44 2.064 -23.714 -23.714 325 HA GLN 44 HA GLN 44 2.610 -23.154 -23.154 326 1HB GLN 44 HB2 GLN 44 1.209 -25.650 -25.650 327 2HB GLN 44 HB1 GLN 44 1.753 -25.301 -25.301 328 1HG GLN 44 HG2 GLN 44 4.098 -25.040 -25.040 329 2HG GLN 44 HG1 GLN 44 3.304 -26.252 -26.252 330 1HE2 GLN 44 HE21 GLN 44 3.651 -25.584 -25.584 331 2HE2 GLN 44 HE22 GLN 44 3.975 -27.196 -27.196 332 H VAL 45 HN VAL 45 0.905 -22.099 -22.099 333 HA VAL 45 HA VAL 45 -1.636 -21.866 -21.866 334 HB VAL 45 HB VAL 45 -0.236 -20.106 -20.106 335 1HG1 VAL 45 HG11 VAL 45 -2.995 -19.968 -19.968 336 2HG1 VAL 45 HG13 VAL 45 -2.155 -18.499 -18.499 337 3HG1 VAL 45 HG12 VAL 45 -2.516 -19.750 -19.750 338 1HG2 VAL 45 HG23 VAL 45 -0.299 -20.278 -20.278 339 2HG2 VAL 45 HG22 VAL 45 0.761 -19.326 -19.326 340 3HG2 VAL 45 HG21 VAL 45 -0.816 -18.691 -18.691 341 H CYS 46 HN CYS 46 -3.630 -21.656 -21.656 342 HA CYS 46 HA CYS 46 -3.314 -23.212 -23.212 343 1HB CYS 46 HB2 CYS 46 -4.722 -23.817 -23.817 344 2HB CYS 46 HB1 CYS 46 -5.800 -23.871 -23.871 345 H ALA 47 HN ALA 47 -4.048 -21.880 -21.880 346 HA ALA 47 HA ALA 47 -6.354 -20.064 -20.064 347 1HB ALA 47 HB3 ALA 47 -3.698 -19.670 -19.670 348 2HB ALA 47 HB2 ALA 47 -4.990 -18.999 -18.999 349 3HB ALA 47 HB1 ALA 47 -4.808 -18.480 -18.480 350 H LYS 48 HN LYS 48 -7.770 -19.610 -19.610 351 HA LYS 48 HA LYS 48 -8.464 -21.968 -21.968 352 1HB LYS 48 HB2 LYS 48 -9.441 -19.282 -19.282 353 2HB LYS 48 HB1 LYS 48 -9.712 -19.712 -19.712 354 1HG LYS 48 HG2 LYS 48 -11.296 -21.240 -21.240 355 2HG LYS 48 HG1 LYS 48 -10.319 -21.905 -21.905 356 1HD LYS 48 HD2 LYS 48 -11.010 -20.120 -20.120 357 2HD LYS 48 HD1 LYS 48 -11.856 -19.298 -19.298 358 1HE LYS 48 HE2 LYS 48 -13.329 -21.340 -21.340 359 2HE LYS 48 HE1 LYS 48 -12.565 -21.981 -21.981 360 1HZ LYS 48 HZ3 LYS 48 -13.473 -19.204 -19.204 361 2HZ LYS 48 HZ2 LYS 48 -14.683 -20.397 -20.397 362 3HZ LYS 48 HZ1 LYS 48 -13.486 -20.373 -20.373 363 HA PRO 49 HA PRO 49 -6.356 -21.330 -21.330 364 1HB PRO 49 HB2 PRO 49 -8.301 -21.283 -21.283 365 2HB PRO 49 HB1 PRO 49 -7.816 -22.760 -22.760 366 1HG PRO 49 HG2 PRO 49 -10.164 -20.980 -20.980 367 2HG PRO 49 HG1 PRO 49 -10.068 -22.746 -22.746 368 1HD PRO 49 HD2 PRO 49 -10.090 -21.216 -21.216 369 2HD PRO 49 HD1 PRO 49 -9.263 -22.786 -22.786 370 H SER 50 HN SER 50 -9.118 -19.137 -19.137 371 HA SER 50 HA SER 50 -7.509 -16.990 -16.990 372 1HB SER 50 HB2 SER 50 -10.303 -17.957 -17.957 373 2HB SER 50 HB1 SER 50 -10.071 -16.210 -16.210 374 HG SER 50 HG SER 50 -9.007 -18.208 -18.208 375 H GLY 51 HN GLY 51 -7.542 -17.585 -17.585 376 1HA GLY 51 HA2 GLY 51 -9.387 -15.975 -15.975 377 2HA GLY 51 HA1 GLY 51 -7.789 -16.442 -16.442 378 HA PRO 52 HA PRO 52 -8.045 -11.943 -11.943 379 1HB PRO 52 HB2 PRO 52 -9.114 -10.575 -10.575 380 2HB PRO 52 HB1 PRO 52 -10.090 -11.196 -11.196 381 1HG PRO 52 HG2 PRO 52 -9.665 -12.333 -12.333 382 2HG PRO 52 HG1 PRO 52 -11.142 -12.259 -12.259 383 1HD PRO 52 HD2 PRO 52 -9.621 -14.506 -14.506 384 2HD PRO 52 HD1 PRO 52 -10.603 -14.148 -14.148 385 H GLY 53 HN GLY 53 -5.764 -12.120 -12.120 386 1HA GLY 53 HA2 GLY 53 -4.096 -10.719 -10.719 387 2HA GLY 53 HA1 GLY 53 -4.778 -11.479 -11.479 388 H VAL 54 HN VAL 54 -5.058 -14.069 -14.069 389 HA VAL 54 HA VAL 54 -2.634 -15.331 -15.331 390 HB VAL 54 HB VAL 54 -4.736 -16.065 -16.065 391 1HG1 VAL 54 HG13 VAL 54 -2.502 -17.664 -17.664 392 2HG1 VAL 54 HG12 VAL 54 -3.914 -18.427 -18.427 393 3HG1 VAL 54 HG11 VAL 54 -2.835 -17.438 -17.438 394 1HG2 VAL 54 HG22 VAL 54 -5.477 -15.683 -15.683 395 2HG2 VAL 54 HG21 VAL 54 -5.773 -17.314 -17.314 396 3HG2 VAL 54 HG23 VAL 54 -4.412 -17.006 -17.006 397 H GLN 55 HN GLN 55 -3.665 -14.084 -14.084 398 HA GLN 55 HA GLN 55 -1.305 -14.970 -14.970 399 1HB GLN 55 HB2 GLN 55 -3.751 -13.927 -13.927 400 2HB GLN 55 HB1 GLN 55 -2.722 -12.516 -12.516 401 1HG GLN 55 HG2 GLN 55 -2.765 -13.684 -13.684 402 2HG GLN 55 HG1 GLN 55 -1.193 -14.026 -14.026 403 1HE2 GLN 55 HE21 GLN 55 -0.823 -16.157 -16.157 404 2HE2 GLN 55 HE22 GLN 55 -1.866 -17.461 -17.461 405 H ASP 56 HN ASP 56 -2.049 -12.256 -12.256 406 HA ASP 56 HA ASP 56 0.105 -10.516 -10.516 407 1HB ASP 56 HB2 ASP 56 -1.896 -9.824 -9.824 408 2HB ASP 56 HB1 ASP 56 -1.360 -10.830 -10.830 409 H CYS 57 HN CYS 57 -0.244 -13.048 -13.048 410 HA CYS 57 HA CYS 57 2.359 -12.749 -12.749 411 1HB CYS 57 HB2 CYS 57 0.455 -15.089 -15.089 412 2HB CYS 57 HB1 CYS 57 1.896 -15.154 -15.154 413 H MET 58 HN MET 58 1.145 -14.862 -14.862 414 HA MET 58 HA MET 58 3.707 -16.078 -16.078 415 1HB MET 58 HB2 MET 58 1.301 -15.714 -15.714 416 2HB MET 58 HB1 MET 58 2.544 -16.958 -16.958 417 1HG MET 58 HG2 MET 58 1.813 -18.021 -18.021 418 2HG MET 58 HG1 MET 58 0.810 -16.646 -16.646 419 1HE MET 58 HE3 MET 58 1.269 -17.792 -17.792 420 2HE MET 58 HE2 MET 58 1.393 -19.365 -19.365 421 3HE MET 58 HE1 MET 58 0.024 -19.020 -19.020 422 H LYS 59 HN LYS 59 2.230 -13.047 -13.047 423 HA LYS 59 HA LYS 59 3.684 -12.539 -12.539 424 1HB LYS 59 HB2 LYS 59 1.649 -11.355 -11.355 425 2HB LYS 59 HB1 LYS 59 2.874 -10.446 -10.446 426 1HG LYS 59 HG2 LYS 59 3.395 -9.197 -9.197 427 2HG LYS 59 HG1 LYS 59 3.446 -10.612 -10.612 428 1HD LYS 59 HD2 LYS 59 1.341 -10.252 -10.252 429 2HD LYS 59 HD1 LYS 59 0.730 -9.953 -9.953 430 1HE LYS 59 HE2 LYS 59 0.458 -7.860 -7.860 431 2HE LYS 59 HE1 LYS 59 1.988 -7.662 -7.662 432 1HZ LYS 59 HZ3 LYS 59 2.035 -8.889 -8.889 433 2HZ LYS 59 HZ2 LYS 59 1.845 -7.204 -7.204 434 3HZ LYS 59 HZ1 LYS 59 3.216 -7.946 -7.946 435 H LYS 60 HN LYS 60 4.309 -11.628 -11.628 436 HA LYS 60 HA LYS 60 6.876 -10.409 -10.409 437 1HB LYS 60 HB2 LYS 60 5.064 -10.685 -10.685 438 2HB LYS 60 HB1 LYS 60 6.503 -11.542 -11.542 439 1HG LYS 60 HG2 LYS 60 6.645 -8.781 -8.781 440 2HG LYS 60 HG1 LYS 60 6.414 -9.028 -9.028 441 1HD LYS 60 HD2 LYS 60 8.519 -10.089 -10.089 442 2HD LYS 60 HD1 LYS 60 8.671 -10.367 -10.367 443 1HE LYS 60 HE2 LYS 60 9.311 -8.170 -8.170 444 2HE LYS 60 HE1 LYS 60 8.448 -7.536 -7.536 445 1HZ LYS 60 HZ3 LYS 60 10.576 -9.492 -9.492 446 2HZ LYS 60 HZ2 LYS 60 11.055 -7.923 -7.923 447 3HZ LYS 60 HZ1 LYS 60 10.105 -8.168 -8.168 448 H LEU 61 HN LEU 61 5.812 -13.709 -13.709 449 HA LEU 61 HA LEU 61 8.505 -14.711 -14.711 450 1HB LEU 61 HB2 LEU 61 5.836 -16.024 -16.024 451 2HB LEU 61 HB1 LEU 61 7.273 -16.896 -16.896 452 HG LEU 61 HG LEU 61 5.739 -14.762 -14.762 453 1HD1 LEU 61 HD11 LEU 61 6.073 -17.708 -17.708 454 2HD1 LEU 61 HD13 LEU 61 6.097 -16.837 -16.837 455 3HD1 LEU 61 HD12 LEU 61 4.701 -16.701 -16.701 456 1HD2 LEU 61 HD21 LEU 61 8.495 -15.907 -15.907 457 2HD2 LEU 61 HD23 LEU 61 8.000 -14.214 -14.214 458 3HD2 LEU 61 HD22 LEU 61 7.542 -15.259 -15.259 459 H LYS 62 HN LYS 62 7.172 -13.593 -13.593 460 HA LYS 62 HA LYS 62 8.365 -15.712 -15.712 461 1HB LYS 62 HB2 LYS 62 5.966 -14.386 -14.386 462 2HB LYS 62 HB1 LYS 62 6.922 -13.421 -13.421 463 1HG LYS 62 HG2 LYS 62 7.053 -15.109 -15.109 464 2HG LYS 62 HG1 LYS 62 7.190 -16.358 -16.358 465 1HD LYS 62 HD2 LYS 62 5.058 -16.653 -16.653 466 2HD LYS 62 HD1 LYS 62 4.740 -16.002 -16.002 467 1HE LYS 62 HE2 LYS 62 3.391 -14.774 -14.774 468 2HE LYS 62 HE1 LYS 62 4.657 -13.695 -13.695 469 1HZ LYS 62 HZ1 LYS 62 5.066 -15.423 -15.423 470 2HZ LYS 62 HZ3 LYS 62 4.429 -13.858 -13.858 471 3HZ LYS 62 HZ2 LYS 62 5.989 -14.085 -14.085 472 HA PRO 63 HA PRO 63 11.745 -12.770 -12.770 473 1HB PRO 63 HB2 PRO 63 13.378 -14.435 -14.435 474 2HB PRO 63 HB1 PRO 63 13.193 -14.542 -14.542 475 1HG PRO 63 HG2 PRO 63 11.932 -16.183 -16.183 476 2HG PRO 63 HG1 PRO 63 12.576 -16.687 -16.687 477 1HD PRO 63 HD2 PRO 63 9.917 -16.355 -16.355 478 2HD PRO 63 HD1 PRO 63 10.647 -16.123 -16.123 479 H TYR 64 HN TYR 64 11.790 -11.197 -11.197 480 HA TYR 64 HA TYR 64 10.955 -11.946 -11.946 481 1HB TYR 64 HB2 TYR 64 10.187 -9.905 -9.905 482 2HB TYR 64 HB1 TYR 64 10.807 -9.152 -9.152 483 HD1 TYR 64 HD1 TYR 64 9.076 -12.438 -12.438 484 HD2 TYR 64 HD2 TYR 64 8.832 -8.388 -8.388 485 HE1 TYR 64 HE1 TYR 64 6.954 -12.972 -12.972 486 HE2 TYR 64 HE2 TYR 64 6.710 -8.922 -8.922 487 HH TYR 64 HH TYR 64 5.225 -12.144 -12.144 488 H SER 65 HN SER 65 13.734 -11.947 -11.947 489 HA SER 65 HA SER 65 15.147 -10.727 -10.727 490 1HB SER 65 HB2 SER 65 16.202 -8.930 -8.930 491 2HB SER 65 HB1 SER 65 14.450 -8.768 -8.768 492 HG SER 65 HG SER 65 15.817 -8.671 -8.671 493 H ILE 66 HN ILE 66 17.484 -11.137 -11.137 494 HA ILE 66 HA ILE 66 18.107 -13.600 -13.600 495 HB ILE 66 HB ILE 66 19.823 -11.644 -11.644 496 1HG1 ILE 66 HG12 ILE 66 19.302 -13.970 -13.970 497 2HG1 ILE 66 HG11 ILE 66 17.751 -13.523 -13.523 498 1HG2 ILE 66 HG21 ILE 66 20.343 -14.225 -14.225 499 2HG2 ILE 66 HG23 ILE 66 20.880 -14.151 -14.151 500 3HG2 ILE 66 HG22 ILE 66 21.476 -12.973 -12.973 501 1HD1 ILE 66 HD12 ILE 66 19.527 -11.500 -11.500 502 2HD1 ILE 66 HD11 ILE 66 18.327 -12.445 -12.445 503 3HD1 ILE 66 HD13 ILE 66 17.817 -11.350 -11.350 Start of MODEL 17 1 1H HIS 1 HT2 HIS 1 -2.446 -37.004 -37.004 2 2H HIS 1 HT1 HIS 1 -2.657 -35.481 -35.481 3 3H HIS 1 HT3 HIS 1 -3.987 -36.513 -36.513 4 HA HIS 1 HA HIS 1 -3.226 -38.014 -38.014 5 1HB HIS 1 HB2 HIS 1 -4.191 -35.654 -35.654 6 2HB HIS 1 HB1 HIS 1 -2.550 -35.262 -35.262 7 HD1 HIS 1 HD1 HIS 1 -4.108 -38.662 -38.662 8 HD2 HIS 1 HD2 HIS 1 -3.092 -35.313 -35.313 9 HE1 HIS 1 HE1 HIS 1 -4.380 -39.330 -39.330 10 H PHE 2 HN PHE 2 -1.495 -38.653 -38.653 11 HA PHE 2 HA PHE 2 1.226 -37.759 -37.759 12 1HB PHE 2 HB2 PHE 2 -0.100 -40.359 -40.359 13 2HB PHE 2 HB1 PHE 2 1.451 -40.311 -40.311 14 HD1 PHE 2 HD1 PHE 2 3.425 -39.178 -39.178 15 HD2 PHE 2 HD2 PHE 2 -0.131 -40.791 -40.791 16 HE1 PHE 2 HE1 PHE 2 4.607 -39.373 -39.373 17 HE2 PHE 2 HE2 PHE 2 1.051 -40.986 -40.986 18 HZ PHE 2 HZ PHE 2 3.420 -40.278 -40.278 19 H ALA 3 HN ALA 3 2.876 -37.763 -37.763 20 HA ALA 3 HA ALA 3 3.667 -37.400 -37.400 21 1HB ALA 3 HB2 ALA 3 1.575 -39.408 -39.408 22 2HB ALA 3 HB1 ALA 3 1.578 -38.467 -38.467 23 3HB ALA 3 HB3 ALA 3 3.041 -39.304 -39.304 24 H ALA 4 HN ALA 4 3.573 -35.463 -35.463 25 HA ALA 4 HA ALA 4 2.697 -33.457 -33.457 26 1HB ALA 4 HB2 ALA 4 1.166 -35.663 -35.663 27 2HB ALA 4 HB1 ALA 4 -0.013 -34.441 -34.441 28 3HB ALA 4 HB3 ALA 4 1.201 -34.067 -34.067 29 H ASP 5 HN ASP 5 0.890 -31.799 -31.799 30 HA ASP 5 HA ASP 5 -0.164 -32.050 -32.050 31 1HB ASP 5 HB2 ASP 5 1.317 -29.907 -29.907 32 2HB ASP 5 HB1 ASP 5 0.156 -29.417 -29.417 33 H CYS 6 HN CYS 6 -2.316 -31.406 -31.406 34 HA CYS 6 HA CYS 6 -3.729 -30.070 -30.070 35 1HB CYS 6 HB2 CYS 6 -4.892 -32.516 -32.516 36 2HB CYS 6 HB1 CYS 6 -5.292 -31.827 -31.827 37 H CYS 7 HN CYS 7 -5.919 -29.276 -29.276 38 HA CYS 7 HA CYS 7 -6.286 -29.195 -29.195 39 1HB CYS 7 HB2 CYS 7 -5.123 -27.135 -27.135 40 2HB CYS 7 HB1 CYS 7 -6.706 -26.582 -26.582 41 H THR 8 HN THR 8 -8.445 -28.890 -28.890 42 HA THR 8 HA THR 8 -10.434 -28.912 -28.912 43 HB THR 8 HB THR 8 -11.892 -29.886 -29.886 44 HG1 THR 8 HG1 THR 8 -10.389 -28.898 -28.898 45 1HG2 THR 8 HG22 THR 8 -9.598 -31.060 -31.060 46 2HG2 THR 8 HG21 THR 8 -9.913 -31.865 -31.865 47 3HG2 THR 8 HG23 THR 8 -11.183 -31.767 -31.767 48 H SER 9 HN SER 9 -9.227 -27.085 -27.085 49 HA SER 9 HA SER 9 -11.385 -25.055 -25.055 50 1HB SER 9 HB2 SER 9 -11.662 -24.866 -24.866 51 2HB SER 9 HB1 SER 9 -11.737 -26.587 -26.587 52 HG SER 9 HG SER 9 -9.748 -26.876 -26.876 53 H TYR 10 HN TYR 10 -10.523 -23.003 -23.003 54 HA TYR 10 HA TYR 10 -7.595 -22.700 -22.700 55 1HB TYR 10 HB2 TYR 10 -9.811 -20.875 -20.875 56 2HB TYR 10 HB1 TYR 10 -8.085 -20.564 -20.564 57 HD1 TYR 10 HD1 TYR 10 -7.190 -23.421 -23.421 58 HD2 TYR 10 HD2 TYR 10 -10.441 -21.139 -21.139 59 HE1 TYR 10 HE1 TYR 10 -7.152 -24.836 -24.836 60 HE2 TYR 10 HE2 TYR 10 -10.408 -22.554 -22.554 61 HH TYR 10 HH TYR 10 -7.882 -24.948 -24.948 62 H ILE 11 HN ILE 11 -7.238 -20.115 -20.115 63 HA ILE 11 HA ILE 11 -7.546 -20.164 -20.164 64 HB ILE 11 HB ILE 11 -6.311 -18.147 -18.147 65 1HG1 ILE 11 HG12 ILE 11 -7.998 -16.944 -16.944 66 2HG1 ILE 11 HG11 ILE 11 -6.325 -16.591 -16.591 67 1HG2 ILE 11 HG23 ILE 11 -5.301 -20.203 -20.203 68 2HG2 ILE 11 HG22 ILE 11 -5.589 -19.275 -19.275 69 3HG2 ILE 11 HG21 ILE 11 -4.527 -18.633 -18.633 70 1HD1 ILE 11 HD13 ILE 11 -6.453 -18.324 -18.324 71 2HD1 ILE 11 HD12 ILE 11 -8.160 -18.552 -18.552 72 3HD1 ILE 11 HD11 ILE 11 -7.598 -17.005 -17.005 73 H SER 12 HN SER 12 -8.685 -18.458 -18.458 74 HA SER 12 HA SER 12 -11.365 -17.894 -17.894 75 1HB SER 12 HB2 SER 12 -11.404 -17.211 -17.211 76 2HB SER 12 HB1 SER 12 -11.833 -18.798 -18.798 77 HG SER 12 HG SER 12 -9.932 -19.578 -19.578 78 H GLN 13 HN GLN 13 -8.470 -16.357 -16.357 79 HA GLN 13 HA GLN 13 -9.758 -13.670 -13.670 80 1HB GLN 13 HB2 GLN 13 -7.811 -12.923 -12.923 81 2HB GLN 13 HB1 GLN 13 -9.011 -13.945 -13.945 82 1HG GLN 13 HG2 GLN 13 -7.600 -15.791 -15.791 83 2HG GLN 13 HG1 GLN 13 -6.666 -15.247 -15.247 84 1HE2 GLN 13 HE21 GLN 13 -4.943 -13.698 -13.698 85 2HE2 GLN 13 HE22 GLN 13 -4.408 -13.310 -13.310 86 H SER 14 HN SER 14 -7.491 -12.144 -12.144 87 HA SER 14 HA SER 14 -6.751 -12.559 -12.559 88 1HB SER 14 HB2 SER 14 -5.692 -10.859 -10.859 89 2HB SER 14 HB1 SER 14 -5.077 -10.728 -10.728 90 HG SER 14 HG SER 14 -7.833 -10.693 -10.693 91 H ILE 15 HN ILE 15 -4.788 -13.311 -13.311 92 HA ILE 15 HA ILE 15 -3.387 -15.402 -15.402 93 HB ILE 15 HB ILE 15 -3.136 -13.977 -13.977 94 1HG1 ILE 15 HG12 ILE 15 -4.969 -15.638 -15.638 95 2HG1 ILE 15 HG11 ILE 15 -3.870 -16.107 -16.107 96 1HG2 ILE 15 HG23 ILE 15 -0.857 -14.704 -14.704 97 2HG2 ILE 15 HG22 ILE 15 -1.457 -16.358 -16.358 98 3HG2 ILE 15 HG21 ILE 15 -1.316 -15.375 -15.375 99 1HD1 ILE 15 HD12 ILE 15 -2.598 -17.272 -17.272 100 2HD1 ILE 15 HD11 ILE 15 -4.247 -17.314 -17.314 101 3HD1 ILE 15 HD13 ILE 15 -3.866 -18.093 -18.093 102 HA PRO 16 HA PRO 16 -0.235 -12.766 -12.766 103 1HB PRO 16 HB2 PRO 16 1.439 -14.741 -14.741 104 2HB PRO 16 HB1 PRO 16 -0.086 -14.356 -14.356 105 1HG PRO 16 HG2 PRO 16 0.590 -16.614 -16.614 106 2HG PRO 16 HG1 PRO 16 -0.548 -16.545 -16.545 107 1HD PRO 16 HD2 PRO 16 -1.206 -16.425 -16.425 108 2HD PRO 16 HD1 PRO 16 -2.269 -15.990 -15.990 109 H CYS 17 HN CYS 17 0.032 -12.579 -12.579 110 HA CYS 17 HA CYS 17 2.178 -13.938 -13.938 111 1HB CYS 17 HB2 CYS 17 1.172 -11.121 -11.121 112 2HB CYS 17 HB1 CYS 17 1.868 -12.229 -12.229 113 H SER 18 HN SER 18 2.163 -11.306 -11.306 114 HA SER 18 HA SER 18 4.717 -10.153 -10.153 115 1HB SER 18 HB2 SER 18 3.572 -8.734 -8.734 116 2HB SER 18 HB1 SER 18 2.678 -10.047 -10.047 117 HG SER 18 HG SER 18 3.998 -9.357 -9.357 118 H LEU 19 HN LEU 19 4.135 -13.262 -13.262 119 HA LEU 19 HA LEU 19 6.852 -13.432 -13.432 120 1HB LEU 19 HB2 LEU 19 4.207 -13.937 -13.937 121 2HB LEU 19 HB1 LEU 19 5.342 -15.267 -15.267 122 HG LEU 19 HG LEU 19 6.954 -13.146 -13.146 123 1HD1 LEU 19 HD12 LEU 19 4.125 -12.314 -12.314 124 2HD1 LEU 19 HD11 LEU 19 5.264 -11.921 -11.921 125 3HD1 LEU 19 HD13 LEU 19 5.546 -11.330 -11.330 126 1HD2 LEU 19 HD23 LEU 19 6.379 -15.280 -15.280 127 2HD2 LEU 19 HD22 LEU 19 6.805 -13.851 -13.851 128 3HD2 LEU 19 HD21 LEU 19 5.114 -14.321 -14.321 129 H MET 20 HN MET 20 5.131 -14.343 -14.343 130 HA MET 20 HA MET 20 5.703 -17.260 -17.260 131 1HB MET 20 HB2 MET 20 4.582 -15.775 -15.775 132 2HB MET 20 HB1 MET 20 4.278 -17.433 -17.433 133 1HG MET 20 HG2 MET 20 3.421 -15.039 -15.039 134 2HG MET 20 HG1 MET 20 2.385 -15.784 -15.784 135 1HE MET 20 HE2 MET 20 0.737 -17.353 -17.353 136 2HE MET 20 HE1 MET 20 0.426 -17.909 -17.909 137 3HE MET 20 HE3 MET 20 0.551 -16.178 -16.178 138 H LYS 21 HN LYS 21 7.432 -18.168 -18.168 139 HA LYS 21 HA LYS 21 9.341 -16.420 -16.420 140 1HB LYS 21 HB2 LYS 21 10.262 -17.745 -17.745 141 2HB LYS 21 HB1 LYS 21 9.393 -19.185 -19.185 142 1HG LYS 21 HG2 LYS 21 11.803 -19.243 -19.243 143 2HG LYS 21 HG1 LYS 21 10.736 -19.276 -19.276 144 1HD LYS 21 HD2 LYS 21 12.386 -17.660 -17.660 145 2HD LYS 21 HD1 LYS 21 10.994 -16.709 -16.709 146 1HE LYS 21 HE2 LYS 21 12.356 -15.728 -15.728 147 2HE LYS 21 HE1 LYS 21 12.453 -17.295 -17.295 148 1HZ LYS 21 HZ2 LYS 21 14.088 -17.787 -17.787 149 2HZ LYS 21 HZ1 LYS 21 14.285 -16.100 -16.100 150 3HZ LYS 21 HZ3 LYS 21 14.638 -17.014 -17.014 151 H SER 22 HN SER 22 7.494 -19.458 -19.458 152 HA SER 22 HA SER 22 7.604 -18.974 -18.974 153 1HB SER 22 HB2 SER 22 9.710 -20.128 -20.128 154 2HB SER 22 HB1 SER 22 8.798 -21.415 -21.415 155 HG SER 22 HG SER 22 9.497 -21.599 -21.599 156 H TYR 23 HN TYR 23 5.567 -19.415 -19.415 157 HA TYR 23 HA TYR 23 3.803 -21.227 -21.227 158 1HB TYR 23 HB2 TYR 23 2.062 -20.144 -20.144 159 2HB TYR 23 HB1 TYR 23 3.194 -18.893 -18.893 160 HD1 TYR 23 HD1 TYR 23 1.974 -20.897 -20.897 161 HD2 TYR 23 HD2 TYR 23 4.725 -17.842 -17.842 162 HE1 TYR 23 HE1 TYR 23 2.398 -20.311 -20.311 163 HE2 TYR 23 HE2 TYR 23 5.150 -17.257 -17.257 164 HH TYR 23 HH TYR 23 4.829 -18.884 -18.884 165 H PHE 24 HN PHE 24 2.438 -22.800 -22.800 166 HA PHE 24 HA PHE 24 3.598 -23.662 -23.662 167 1HB PHE 24 HB2 PHE 24 4.260 -25.796 -25.796 168 2HB PHE 24 HB1 PHE 24 4.802 -24.695 -24.695 169 HD1 PHE 24 HD1 PHE 24 2.068 -27.042 -27.042 170 HD2 PHE 24 HD2 PHE 24 3.945 -24.835 -24.835 171 HE1 PHE 24 HE1 PHE 24 0.701 -28.271 -28.271 172 HE2 PHE 24 HE2 PHE 24 2.578 -26.066 -26.066 173 HZ PHE 24 HZ PHE 24 0.957 -27.784 -27.784 174 H GLU 25 HN GLU 25 2.089 -24.804 -24.804 175 HA GLU 25 HA GLU 25 -0.711 -24.734 -24.734 176 1HB GLU 25 HB2 GLU 25 0.692 -25.209 -25.209 177 2HB GLU 25 HB1 GLU 25 -1.051 -25.407 -25.407 178 1HG GLU 25 HG2 GLU 25 -1.417 -23.150 -23.150 179 2HG GLU 25 HG1 GLU 25 0.157 -22.887 -22.887 180 H THR 26 HN THR 26 -1.889 -26.605 -26.605 181 HA THR 26 HA THR 26 -0.594 -29.035 -29.035 182 HB THR 26 HB THR 26 -2.933 -29.910 -29.910 183 HG1 THR 26 HG1 THR 26 -3.679 -28.867 -28.867 184 1HG2 THR 26 HG21 THR 26 -2.295 -27.188 -27.188 185 2HG2 THR 26 HG23 THR 26 -3.864 -27.933 -27.933 186 3HG2 THR 26 HG22 THR 26 -2.388 -28.733 -28.733 187 H SER 27 HN SER 27 -1.722 -31.165 -31.165 188 HA SER 27 HA SER 27 -1.002 -30.896 -30.896 189 1HB SER 27 HB2 SER 27 -0.758 -33.370 -33.370 190 2HB SER 27 HB1 SER 27 0.043 -33.034 -33.034 191 HG SER 27 HG SER 27 1.591 -32.248 -32.248 192 H SER 28 HN SER 28 -2.035 -32.798 -32.798 193 HA SER 28 HA SER 28 -4.893 -32.677 -32.677 194 1HB SER 28 HB2 SER 28 -2.940 -34.329 -34.329 195 2HB SER 28 HB1 SER 28 -4.682 -34.544 -34.544 196 HG SER 28 HG SER 28 -4.442 -32.024 -32.024 197 H GLU 29 HN GLU 29 -2.510 -34.635 -34.635 198 HA GLU 29 HA GLU 29 -4.141 -36.996 -36.996 199 1HB GLU 29 HB2 GLU 29 -1.571 -36.679 -36.679 200 2HB GLU 29 HB1 GLU 29 -1.762 -36.041 -36.041 201 1HG GLU 29 HG2 GLU 29 -3.277 -38.481 -38.481 202 2HG GLU 29 HG1 GLU 29 -1.612 -38.760 -38.760 203 H CYS 30 HN CYS 30 -3.912 -33.850 -33.850 204 HA CYS 30 HA CYS 30 -4.749 -34.498 -34.498 205 1HB CYS 30 HB2 CYS 30 -4.578 -32.087 -32.087 206 2HB CYS 30 HB1 CYS 30 -5.361 -31.956 -31.956 207 H SER 31 HN SER 31 -6.848 -34.743 -34.743 208 HA SER 31 HA SER 31 -9.026 -35.306 -35.306 209 1HB SER 31 HB2 SER 31 -8.596 -35.887 -35.887 210 2HB SER 31 HB1 SER 31 -9.261 -34.291 -34.291 211 HG SER 31 HG SER 31 -10.705 -35.878 -35.878 212 H LYS 32 HN LYS 32 -7.719 -32.353 -32.353 213 HA LYS 32 HA LYS 32 -9.729 -30.808 -30.808 214 1HB LYS 32 HB2 LYS 32 -9.550 -31.030 -31.030 215 2HB LYS 32 HB1 LYS 32 -9.658 -29.378 -29.378 216 1HG LYS 32 HG2 LYS 32 -11.510 -30.988 -30.988 217 2HG LYS 32 HG1 LYS 32 -11.755 -31.304 -31.304 218 1HD LYS 32 HD2 LYS 32 -11.732 -28.766 -28.766 219 2HD LYS 32 HD1 LYS 32 -11.849 -28.640 -28.640 220 1HE LYS 32 HE2 LYS 32 -13.795 -30.385 -30.385 221 2HE LYS 32 HE1 LYS 32 -14.068 -28.636 -28.636 222 1HZ LYS 32 HZ3 LYS 32 -13.276 -29.349 -29.349 223 2HZ LYS 32 HZ2 LYS 32 -14.258 -30.654 -30.654 224 3HZ LYS 32 HZ1 LYS 32 -14.878 -29.073 -29.073 225 HA PRO 33 HA PRO 33 -5.959 -28.643 -28.643 226 1HB PRO 33 HB2 PRO 33 -7.040 -26.447 -26.447 227 2HB PRO 33 HB1 PRO 33 -6.858 -28.021 -28.021 228 1HG PRO 33 HG2 PRO 33 -9.270 -26.786 -26.786 229 2HG PRO 33 HG1 PRO 33 -9.138 -27.739 -27.739 230 1HD PRO 33 HD2 PRO 33 -10.046 -28.759 -28.759 231 2HD PRO 33 HD1 PRO 33 -9.216 -29.739 -29.739 232 H GLY 34 HN GLY 34 -5.202 -26.228 -26.228 233 1HA GLY 34 HA2 GLY 34 -6.263 -24.279 -24.279 234 2HA GLY 34 HA1 GLY 34 -5.834 -25.501 -25.501 235 H VAL 35 HN VAL 35 -4.660 -22.791 -22.791 236 HA VAL 35 HA VAL 35 -1.878 -23.533 -23.533 237 HB VAL 35 HB VAL 35 -3.506 -21.000 -21.000 238 1HG1 VAL 35 HG13 VAL 35 -0.523 -21.298 -21.298 239 2HG1 VAL 35 HG12 VAL 35 -1.206 -19.931 -19.931 240 3HG1 VAL 35 HG11 VAL 35 -1.573 -20.150 -20.150 241 1HG2 VAL 35 HG22 VAL 35 -3.399 -22.440 -22.440 242 2HG2 VAL 35 HG21 VAL 35 -2.887 -20.769 -20.769 243 3HG2 VAL 35 HG23 VAL 35 -1.681 -22.050 -22.050 244 H ILE 36 HN ILE 36 -0.614 -24.101 -24.101 245 HA ILE 36 HA ILE 36 -1.277 -22.938 -22.938 246 HB ILE 36 HB ILE 36 0.274 -25.333 -25.333 247 1HG1 ILE 36 HG12 ILE 36 -2.224 -24.844 -24.844 248 2HG1 ILE 36 HG11 ILE 36 -2.040 -25.800 -25.800 249 1HG2 ILE 36 HG21 ILE 36 0.144 -24.212 -24.212 250 2HG2 ILE 36 HG23 ILE 36 0.761 -25.812 -25.812 251 3HG2 ILE 36 HG22 ILE 36 1.590 -24.370 -24.370 252 1HD1 ILE 36 HD11 ILE 36 -0.794 -26.497 -26.497 253 2HD1 ILE 36 HD13 ILE 36 -2.272 -27.219 -27.219 254 3HD1 ILE 36 HD12 ILE 36 -0.738 -27.477 -27.477 255 H PHE 37 HN PHE 37 0.026 -21.354 -21.354 256 HA PHE 37 HA PHE 37 2.509 -20.656 -20.656 257 1HB PHE 37 HB2 PHE 37 0.952 -19.425 -19.425 258 2HB PHE 37 HB1 PHE 37 2.421 -18.715 -18.715 259 HD1 PHE 37 HD1 PHE 37 -1.086 -19.655 -19.655 260 HD2 PHE 37 HD2 PHE 37 2.403 -17.532 -17.532 261 HE1 PHE 37 HE1 PHE 37 -2.431 -18.558 -18.558 262 HE2 PHE 37 HE2 PHE 37 1.057 -16.433 -16.433 263 HZ PHE 37 HZ PHE 37 -1.358 -16.941 -16.941 264 H LEU 38 HN LEU 38 4.561 -21.076 -21.076 265 HA LEU 38 HA LEU 38 4.679 -22.569 -22.569 266 1HB LEU 38 HB2 LEU 38 5.820 -22.924 -22.924 267 2HB LEU 38 HB1 LEU 38 7.138 -22.216 -22.216 268 HG LEU 38 HG LEU 38 5.623 -24.294 -24.294 269 1HD1 LEU 38 HD13 LEU 38 6.376 -24.786 -24.786 270 2HD1 LEU 38 HD12 LEU 38 7.433 -25.727 -25.727 271 3HD1 LEU 38 HD11 LEU 38 5.683 -25.915 -25.915 272 1HD2 LEU 38 HD22 LEU 38 8.554 -23.788 -23.788 273 2HD2 LEU 38 HD21 LEU 38 7.688 -23.335 -23.335 274 3HD2 LEU 38 HD23 LEU 38 7.955 -25.037 -25.037 275 H THR 39 HN THR 39 5.281 -21.401 -21.401 276 HA THR 39 HA THR 39 6.342 -18.673 -18.673 277 HB THR 39 HB THR 39 5.706 -18.454 -18.454 278 HG1 THR 39 HG1 THR 39 6.218 -20.024 -20.024 279 1HG2 THR 39 HG21 THR 39 3.880 -19.102 -19.102 280 2HG2 THR 39 HG23 THR 39 3.764 -20.582 -20.582 281 3HG2 THR 39 HG22 THR 39 3.448 -19.019 -19.019 282 H LYS 40 HN LYS 40 8.336 -17.982 -17.982 283 HA LYS 40 HA LYS 40 10.534 -19.829 -19.829 284 1HB LYS 40 HB2 LYS 40 10.412 -17.276 -17.276 285 2HB LYS 40 HB1 LYS 40 10.484 -17.146 -17.146 286 1HG LYS 40 HG2 LYS 40 12.514 -18.951 -18.951 287 2HG LYS 40 HG1 LYS 40 12.616 -17.755 -17.755 288 1HD LYS 40 HD2 LYS 40 12.697 -15.946 -15.946 289 2HD LYS 40 HD1 LYS 40 12.556 -17.126 -17.126 290 1HE LYS 40 HE2 LYS 40 14.708 -17.904 -17.904 291 2HE LYS 40 HE1 LYS 40 14.947 -16.230 -16.230 292 1HZ LYS 40 HZ2 LYS 40 14.289 -17.069 -17.069 293 2HZ LYS 40 HZ1 LYS 40 14.489 -18.643 -18.643 294 3HZ LYS 40 HZ3 LYS 40 15.809 -17.579 -17.579 295 H LYS 41 HN LYS 41 8.454 -18.712 -18.712 296 HA LYS 41 HA LYS 41 10.147 -19.494 -19.494 297 1HB LYS 41 HB2 LYS 41 7.481 -18.454 -18.454 298 2HB LYS 41 HB1 LYS 41 7.457 -19.636 -19.636 299 1HG LYS 41 HG2 LYS 41 9.634 -18.277 -18.277 300 2HG LYS 41 HG1 LYS 41 8.831 -16.988 -16.988 301 1HD LYS 41 HD2 LYS 41 6.849 -17.179 -17.179 302 2HD LYS 41 HD1 LYS 41 7.461 -18.640 -18.640 303 1HE LYS 41 HE2 LYS 41 9.101 -16.123 -16.123 304 2HE LYS 41 HE1 LYS 41 7.709 -16.321 -16.321 305 1HZ LYS 41 HZ3 LYS 41 9.549 -18.581 -18.581 306 2HZ LYS 41 HZ2 LYS 41 10.030 -17.319 -17.319 307 3HZ LYS 41 HZ1 LYS 41 8.606 -18.188 -18.188 308 H GLY 42 HN GLY 42 8.553 -21.340 -21.340 309 1HA GLY 42 HA2 GLY 42 8.687 -23.739 -23.739 310 2HA GLY 42 HA1 GLY 42 8.912 -23.775 -23.775 311 H ARG 43 HN ARG 43 6.387 -22.572 -22.572 312 HA ARG 43 HA ARG 43 4.391 -24.271 -24.271 313 1HB ARG 43 HB2 ARG 43 4.855 -21.732 -21.732 314 2HB ARG 43 HB1 ARG 43 3.628 -21.424 -21.424 315 1HG ARG 43 HG2 ARG 43 1.997 -22.321 -22.321 316 2HG ARG 43 HG1 ARG 43 2.970 -23.747 -23.747 317 1HD ARG 43 HD2 ARG 43 4.258 -22.321 -22.321 318 2HD ARG 43 HD1 ARG 43 3.020 -21.072 -21.072 319 HE ARG 43 HE ARG 43 2.655 -23.476 -23.476 320 1HH1 ARG 43 HH11 ARG 43 1.091 -20.794 -20.794 321 2HH1 ARG 43 HH12 ARG 43 -0.491 -21.498 -21.498 322 1HH2 ARG 43 HH21 ARG 43 0.629 -24.700 -24.700 323 2HH2 ARG 43 HH22 ARG 43 -0.753 -23.709 -23.709 324 H GLN 44 HN GLN 44 2.135 -23.796 -23.796 325 HA GLN 44 HA GLN 44 2.535 -23.064 -23.064 326 1HB GLN 44 HB2 GLN 44 1.371 -25.700 -25.700 327 2HB GLN 44 HB1 GLN 44 1.613 -25.205 -25.205 328 1HG GLN 44 HG2 GLN 44 4.118 -24.878 -24.878 329 2HG GLN 44 HG1 GLN 44 3.639 -26.044 -26.044 330 1HE2 GLN 44 HE21 GLN 44 3.133 -28.226 -28.226 331 2HE2 GLN 44 HE22 GLN 44 3.470 -28.764 -28.764 332 H VAL 45 HN VAL 45 0.758 -21.998 -21.998 333 HA VAL 45 HA VAL 45 -1.738 -22.043 -22.043 334 HB VAL 45 HB VAL 45 -0.428 -19.993 -19.993 335 1HG1 VAL 45 HG11 VAL 45 -3.204 -20.018 -20.018 336 2HG1 VAL 45 HG13 VAL 45 -2.417 -18.551 -18.551 337 3HG1 VAL 45 HG12 VAL 45 -2.783 -19.861 -19.861 338 1HG2 VAL 45 HG22 VAL 45 -0.661 -20.466 -20.466 339 2HG2 VAL 45 HG21 VAL 45 0.476 -19.445 -19.445 340 3HG2 VAL 45 HG23 VAL 45 -1.127 -18.832 -18.832 341 H CYS 46 HN CYS 46 -3.783 -21.892 -21.892 342 HA CYS 46 HA CYS 46 -3.474 -23.121 -23.121 343 1HB CYS 46 HB2 CYS 46 -5.163 -23.762 -23.762 344 2HB CYS 46 HB1 CYS 46 -5.819 -24.100 -24.100 345 H ALA 47 HN ALA 47 -4.284 -21.750 -21.750 346 HA ALA 47 HA ALA 47 -6.668 -20.076 -20.076 347 1HB ALA 47 HB3 ALA 47 -4.069 -19.180 -19.180 348 2HB ALA 47 HB2 ALA 47 -4.746 -18.903 -18.903 349 3HB ALA 47 HB1 ALA 47 -5.509 -18.179 -18.179 350 H LYS 48 HN LYS 48 -7.861 -19.356 -19.356 351 HA LYS 48 HA LYS 48 -8.431 -21.473 -21.473 352 1HB LYS 48 HB2 LYS 48 -9.177 -18.733 -18.733 353 2HB LYS 48 HB1 LYS 48 -9.016 -18.980 -18.980 354 1HG LYS 48 HG2 LYS 48 -10.362 -21.207 -21.207 355 2HG LYS 48 HG1 LYS 48 -10.895 -20.279 -20.279 356 1HD LYS 48 HD2 LYS 48 -11.965 -18.666 -18.666 357 2HD LYS 48 HD1 LYS 48 -10.981 -19.023 -19.023 358 1HE LYS 48 HE2 LYS 48 -12.701 -20.320 -20.320 359 2HE LYS 48 HE1 LYS 48 -12.323 -21.435 -21.435 360 1HZ LYS 48 HZ2 LYS 48 -13.628 -19.903 -19.903 361 2HZ LYS 48 HZ1 LYS 48 -14.148 -19.089 -19.089 362 3HZ LYS 48 HZ3 LYS 48 -14.561 -20.717 -20.717 363 HA PRO 49 HA PRO 49 -5.486 -21.153 -21.153 364 1HB PRO 49 HB2 PRO 49 -6.953 -20.883 -20.883 365 2HB PRO 49 HB1 PRO 49 -6.865 -22.400 -22.400 366 1HG PRO 49 HG2 PRO 49 -8.995 -20.309 -20.309 367 2HG PRO 49 HG1 PRO 49 -9.150 -22.072 -22.072 368 1HD PRO 49 HD2 PRO 49 -9.440 -20.510 -20.510 369 2HD PRO 49 HD1 PRO 49 -8.843 -22.182 -22.182 370 H SER 50 HN SER 50 -7.979 -18.640 -18.640 371 HA SER 50 HA SER 50 -5.872 -16.672 -16.672 372 1HB SER 50 HB2 SER 50 -8.675 -16.418 -16.418 373 2HB SER 50 HB1 SER 50 -7.162 -15.935 -15.935 374 HG SER 50 HG SER 50 -6.726 -18.095 -18.095 375 H GLY 51 HN GLY 51 -6.859 -17.179 -17.179 376 1HA GLY 51 HA2 GLY 51 -9.011 -15.701 -15.701 377 2HA GLY 51 HA1 GLY 51 -7.499 -15.841 -15.841 378 HA PRO 52 HA PRO 52 -8.292 -11.489 -11.489 379 1HB PRO 52 HB2 PRO 52 -9.209 -10.271 -10.271 380 2HB PRO 52 HB1 PRO 52 -10.283 -10.995 -10.995 381 1HG PRO 52 HG2 PRO 52 -9.323 -12.117 -12.117 382 2HG PRO 52 HG1 PRO 52 -10.939 -12.178 -12.178 383 1HD PRO 52 HD2 PRO 52 -9.225 -14.271 -14.271 384 2HD PRO 52 HD1 PRO 52 -10.390 -13.939 -13.939 385 H GLY 53 HN GLY 53 -5.917 -11.784 -11.784 386 1HA GLY 53 HA2 GLY 53 -4.128 -10.231 -10.231 387 2HA GLY 53 HA1 GLY 53 -4.704 -10.633 -10.633 388 H VAL 54 HN VAL 54 -5.154 -13.483 -13.483 389 HA VAL 54 HA VAL 54 -2.749 -14.671 -14.671 390 HB VAL 54 HB VAL 54 -5.065 -15.589 -15.589 391 1HG1 VAL 54 HG13 VAL 54 -2.843 -16.908 -16.908 392 2HG1 VAL 54 HG12 VAL 54 -3.123 -17.475 -17.475 393 3HG1 VAL 54 HG11 VAL 54 -4.303 -17.816 -17.816 394 1HG2 VAL 54 HG23 VAL 54 -5.196 -14.946 -14.946 395 2HG2 VAL 54 HG22 VAL 54 -5.955 -16.444 -16.444 396 3HG2 VAL 54 HG21 VAL 54 -4.382 -16.490 -16.490 397 H GLN 55 HN GLN 55 -3.811 -13.878 -13.878 398 HA GLN 55 HA GLN 55 -1.600 -15.171 -15.171 399 1HB GLN 55 HB2 GLN 55 -3.975 -13.779 -13.779 400 2HB GLN 55 HB1 GLN 55 -2.675 -12.843 -12.843 401 1HG GLN 55 HG2 GLN 55 -3.105 -15.827 -15.827 402 2HG GLN 55 HG1 GLN 55 -3.504 -14.594 -14.594 403 1HE2 GLN 55 HE21 GLN 55 -1.541 -16.745 -16.745 404 2HE2 GLN 55 HE22 GLN 55 -0.034 -16.000 -16.000 405 H ASP 56 HN ASP 56 -2.129 -11.935 -11.935 406 HA ASP 56 HA ASP 56 0.241 -10.712 -10.712 407 1HB ASP 56 HB2 ASP 56 -1.830 -9.655 -9.655 408 2HB ASP 56 HB1 ASP 56 -1.136 -10.109 -10.109 409 H CYS 57 HN CYS 57 -0.426 -12.646 -12.646 410 HA CYS 57 HA CYS 57 2.111 -12.214 -12.214 411 1HB CYS 57 HB2 CYS 57 0.316 -14.657 -14.657 412 2HB CYS 57 HB1 CYS 57 1.390 -14.075 -14.075 413 H MET 58 HN MET 58 0.940 -14.582 -14.582 414 HA MET 58 HA MET 58 3.312 -16.222 -16.222 415 1HB MET 58 HB2 MET 58 1.141 -15.663 -15.663 416 2HB MET 58 HB1 MET 58 2.291 -16.994 -16.994 417 1HG MET 58 HG2 MET 58 1.422 -17.531 -17.531 418 2HG MET 58 HG1 MET 58 0.026 -16.576 -16.576 419 1HE MET 58 HE2 MET 58 -0.313 -16.623 -16.623 420 2HE MET 58 HE1 MET 58 0.030 -17.988 -17.988 421 3HE MET 58 HE3 MET 58 -1.531 -17.874 -17.874 422 H LYS 59 HN LYS 59 2.315 -13.292 -13.292 423 HA LYS 59 HA LYS 59 4.359 -13.298 -13.298 424 1HB LYS 59 HB2 LYS 59 2.159 -11.774 -11.774 425 2HB LYS 59 HB1 LYS 59 3.518 -10.681 -10.681 426 1HG LYS 59 HG2 LYS 59 3.114 -10.275 -10.275 427 2HG LYS 59 HG1 LYS 59 4.258 -11.611 -11.611 428 1HD LYS 59 HD2 LYS 59 2.476 -13.203 -13.203 429 2HD LYS 59 HD1 LYS 59 1.255 -11.998 -11.998 430 1HE LYS 59 HE2 LYS 59 2.221 -10.662 -10.662 431 2HE LYS 59 HE1 LYS 59 2.915 -12.221 -12.221 432 1HZ LYS 59 HZ2 LYS 59 0.616 -13.152 -13.152 433 2HZ LYS 59 HZ1 LYS 59 0.066 -11.545 -11.545 434 3HZ LYS 59 HZ3 LYS 59 0.766 -12.190 -12.190 435 H LYS 60 HN LYS 60 4.191 -11.809 -11.809 436 HA LYS 60 HA LYS 60 6.835 -10.654 -10.654 437 1HB LYS 60 HB2 LYS 60 4.815 -11.385 -11.385 438 2HB LYS 60 HB1 LYS 60 6.393 -10.741 -10.741 439 1HG LYS 60 HG2 LYS 60 4.529 -9.381 -9.381 440 2HG LYS 60 HG1 LYS 60 4.587 -8.990 -8.990 441 1HD LYS 60 HD2 LYS 60 7.182 -9.033 -9.033 442 2HD LYS 60 HD1 LYS 60 6.090 -7.692 -7.692 443 1HE LYS 60 HE2 LYS 60 6.349 -8.307 -8.307 444 2HE LYS 60 HE1 LYS 60 7.843 -7.731 -7.731 445 1HZ LYS 60 HZ2 LYS 60 5.350 -6.412 -6.412 446 2HZ LYS 60 HZ1 LYS 60 5.937 -6.078 -6.078 447 3HZ LYS 60 HZ3 LYS 60 6.904 -5.754 -5.754 448 H LEU 61 HN LEU 61 5.565 -13.841 -13.841 449 HA LEU 61 HA LEU 61 7.960 -14.813 -14.813 450 1HB LEU 61 HB2 LEU 61 5.288 -15.705 -15.705 451 2HB LEU 61 HB1 LEU 61 6.497 -16.974 -16.974 452 HG LEU 61 HG LEU 61 7.124 -16.871 -16.871 453 1HD1 LEU 61 HD13 LEU 61 6.061 -14.144 -14.144 454 2HD1 LEU 61 HD12 LEU 61 5.601 -14.942 -14.942 455 3HD1 LEU 61 HD11 LEU 61 7.306 -14.774 -14.774 456 1HD2 LEU 61 HD22 LEU 61 4.207 -16.814 -16.814 457 2HD2 LEU 61 HD21 LEU 61 5.181 -18.089 -18.089 458 3HD2 LEU 61 HD23 LEU 61 4.673 -16.705 -16.705 459 H LYS 62 HN LYS 62 7.507 -13.882 -13.882 460 HA LYS 62 HA LYS 62 9.433 -15.942 -15.942 461 1HB LYS 62 HB2 LYS 62 6.867 -15.731 -15.731 462 2HB LYS 62 HB1 LYS 62 7.538 -14.490 -14.490 463 1HG LYS 62 HG2 LYS 62 8.425 -16.049 -16.049 464 2HG LYS 62 HG1 LYS 62 9.216 -16.855 -16.855 465 1HD LYS 62 HD2 LYS 62 6.795 -17.741 -17.741 466 2HD LYS 62 HD1 LYS 62 6.495 -17.354 -17.354 467 1HE LYS 62 HE2 LYS 62 8.442 -18.766 -18.766 468 2HE LYS 62 HE1 LYS 62 8.673 -19.195 -19.195 469 1HZ LYS 62 HZ3 LYS 62 5.990 -19.439 -19.439 470 2HZ LYS 62 HZ2 LYS 62 7.135 -20.637 -20.637 471 3HZ LYS 62 HZ1 LYS 62 6.706 -20.342 -20.342 472 HA PRO 63 HA PRO 63 11.444 -11.866 -11.866 473 1HB PRO 63 HB2 PRO 63 13.980 -12.817 -12.817 474 2HB PRO 63 HB1 PRO 63 12.900 -12.405 -12.405 475 1HG PRO 63 HG2 PRO 63 13.591 -15.066 -15.066 476 2HG PRO 63 HG1 PRO 63 13.308 -14.599 -14.599 477 1HD PRO 63 HD2 PRO 63 11.472 -15.896 -15.896 478 2HD PRO 63 HD1 PRO 63 11.052 -14.903 -14.903 479 H TYR 64 HN TYR 64 10.794 -12.069 -12.069 480 HA TYR 64 HA TYR 64 12.805 -13.456 -13.456 481 1HB TYR 64 HB2 TYR 64 9.923 -12.894 -12.894 482 2HB TYR 64 HB1 TYR 64 10.724 -12.555 -12.555 483 HD1 TYR 64 HD1 TYR 64 11.119 -15.143 -15.143 484 HD2 TYR 64 HD2 TYR 64 10.604 -14.339 -14.339 485 HE1 TYR 64 HE1 TYR 64 11.227 -17.573 -17.573 486 HE2 TYR 64 HE2 TYR 64 10.714 -16.771 -16.771 487 HH TYR 64 HH TYR 64 10.163 -19.051 -19.051 488 H SER 65 HN SER 65 13.902 -11.204 -11.204 489 HA SER 65 HA SER 65 13.522 -9.089 -9.089 490 1HB SER 65 HB2 SER 65 14.513 -7.613 -7.613 491 2HB SER 65 HB1 SER 65 13.017 -8.394 -8.394 492 HG SER 65 HG SER 65 15.602 -9.432 -9.432 493 H ILE 66 HN ILE 66 15.296 -8.573 -8.573 494 HA ILE 66 HA ILE 66 17.854 -10.021 -10.021 495 HB ILE 66 HB ILE 66 16.505 -9.056 -9.056 496 1HG1 ILE 66 HG12 ILE 66 17.337 -11.785 -11.785 497 2HG1 ILE 66 HG11 ILE 66 15.685 -11.182 -11.182 498 1HG2 ILE 66 HG22 ILE 66 18.988 -8.655 -8.655 499 2HG2 ILE 66 HG21 ILE 66 19.220 -10.380 -10.380 500 3HG2 ILE 66 HG23 ILE 66 18.443 -9.828 -9.828 501 1HD1 ILE 66 HD11 ILE 66 17.446 -11.191 -11.191 502 2HD1 ILE 66 HD13 ILE 66 16.701 -12.700 -12.700 503 3HD1 ILE 66 HD12 ILE 66 15.690 -11.318 -11.318 Start of MODEL 18 1 1H HIS 1 HT2 HIS 1 3.148 -43.970 -43.970 2 2H HIS 1 HT1 HIS 1 4.583 -44.171 -44.171 3 3H HIS 1 HT3 HIS 1 4.245 -42.682 -42.682 4 HA HIS 1 HA HIS 1 3.791 -42.462 -42.462 5 1HB HIS 1 HB2 HIS 1 2.598 -45.125 -45.125 6 2HB HIS 1 HB1 HIS 1 1.809 -44.170 -44.170 7 HD1 HIS 1 HD1 HIS 1 3.168 -43.662 -43.662 8 HD2 HIS 1 HD2 HIS 1 5.222 -46.019 -46.019 9 HE1 HIS 1 HE1 HIS 1 5.193 -44.581 -44.581 10 H PHE 2 HN PHE 2 2.298 -42.332 -42.332 11 HA PHE 2 HA PHE 2 -0.201 -41.078 -41.078 12 1HB PHE 2 HB2 PHE 2 -0.463 -43.004 -43.004 13 2HB PHE 2 HB1 PHE 2 0.513 -42.183 -42.183 14 HD1 PHE 2 HD1 PHE 2 -1.710 -40.184 -40.184 15 HD2 PHE 2 HD2 PHE 2 -1.387 -42.330 -42.330 16 HE1 PHE 2 HE1 PHE 2 -3.733 -39.026 -39.026 17 HE2 PHE 2 HE2 PHE 2 -3.410 -41.172 -41.172 18 HZ PHE 2 HZ PHE 2 -4.583 -39.520 -39.520 19 H ALA 3 HN ALA 3 1.869 -39.388 -39.388 20 HA ALA 3 HA ALA 3 1.594 -37.486 -37.486 21 1HB ALA 3 HB1 ALA 3 4.053 -38.338 -38.338 22 2HB ALA 3 HB3 ALA 3 4.030 -36.942 -36.942 23 3HB ALA 3 HB2 ALA 3 3.752 -38.559 -38.559 24 H ALA 4 HN ALA 4 1.094 -35.413 -35.413 25 HA ALA 4 HA ALA 4 1.873 -34.349 -34.349 26 1HB ALA 4 HB2 ALA 4 -0.612 -35.823 -35.823 27 2HB ALA 4 HB1 ALA 4 -0.921 -34.175 -34.175 28 3HB ALA 4 HB3 ALA 4 0.121 -35.236 -35.236 29 H ASP 5 HN ASP 5 -0.124 -32.383 -32.383 30 HA ASP 5 HA ASP 5 -0.149 -31.009 -31.009 31 1HB ASP 5 HB2 ASP 5 1.168 -30.273 -30.273 32 2HB ASP 5 HB1 ASP 5 0.378 -28.963 -28.963 33 H CYS 6 HN CYS 6 -2.446 -32.150 -32.150 34 HA CYS 6 HA CYS 6 -4.020 -30.276 -30.276 35 1HB CYS 6 HB2 CYS 6 -4.910 -32.771 -32.771 36 2HB CYS 6 HB1 CYS 6 -5.652 -32.038 -32.038 37 H CYS 7 HN CYS 7 -6.115 -29.444 -29.444 38 HA CYS 7 HA CYS 7 -6.240 -29.290 -29.290 39 1HB CYS 7 HB2 CYS 7 -5.208 -27.294 -27.294 40 2HB CYS 7 HB1 CYS 7 -6.726 -26.703 -26.703 41 H THR 8 HN THR 8 -8.361 -28.930 -28.930 42 HA THR 8 HA THR 8 -10.511 -29.147 -29.147 43 HB THR 8 HB THR 8 -11.839 -29.927 -29.927 44 HG1 THR 8 HG1 THR 8 -11.164 -28.809 -28.809 45 1HG2 THR 8 HG21 THR 8 -9.972 -31.357 -31.357 46 2HG2 THR 8 HG23 THR 8 -9.177 -31.253 -31.253 47 3HG2 THR 8 HG22 THR 8 -10.778 -31.981 -31.981 48 H SER 9 HN SER 9 -9.163 -27.019 -27.019 49 HA SER 9 HA SER 9 -11.325 -25.022 -25.022 50 1HB SER 9 HB2 SER 9 -10.791 -26.330 -26.330 51 2HB SER 9 HB1 SER 9 -9.965 -24.785 -24.785 52 HG SER 9 HG SER 9 -11.814 -23.811 -23.811 53 H TYR 10 HN TYR 10 -10.233 -22.803 -22.803 54 HA TYR 10 HA TYR 10 -7.395 -22.591 -22.591 55 1HB TYR 10 HB2 TYR 10 -9.700 -21.008 -21.008 56 2HB TYR 10 HB1 TYR 10 -7.994 -20.713 -20.713 57 HD1 TYR 10 HD1 TYR 10 -6.617 -22.839 -22.839 58 HD2 TYR 10 HD2 TYR 10 -10.884 -22.469 -22.469 59 HE1 TYR 10 HE1 TYR 10 -6.652 -24.627 -24.627 60 HE2 TYR 10 HE2 TYR 10 -10.922 -24.250 -24.250 61 HH TYR 10 HH TYR 10 -7.910 -25.844 -25.844 62 H ILE 11 HN ILE 11 -6.864 -20.021 -20.021 63 HA ILE 11 HA ILE 11 -7.151 -19.440 -19.440 64 HB ILE 11 HB ILE 11 -5.831 -17.537 -17.537 65 1HG1 ILE 11 HG12 ILE 11 -7.480 -16.641 -16.641 66 2HG1 ILE 11 HG11 ILE 11 -5.786 -16.428 -16.428 67 1HG2 ILE 11 HG21 ILE 11 -4.883 -19.831 -19.831 68 2HG2 ILE 11 HG23 ILE 11 -5.175 -19.314 -19.314 69 3HG2 ILE 11 HG22 ILE 11 -4.079 -18.392 -18.392 70 1HD1 ILE 11 HD13 ILE 11 -5.941 -18.556 -18.556 71 2HD1 ILE 11 HD12 ILE 11 -7.677 -18.556 -18.556 72 3HD1 ILE 11 HD11 ILE 11 -6.946 -17.244 -17.244 73 H SER 12 HN SER 12 -8.256 -17.479 -17.479 74 HA SER 12 HA SER 12 -10.916 -17.122 -17.122 75 1HB SER 12 HB2 SER 12 -10.857 -15.789 -15.789 76 2HB SER 12 HB1 SER 12 -11.445 -17.428 -17.428 77 HG SER 12 HG SER 12 -9.247 -16.594 -16.594 78 H GLN 13 HN GLN 13 -8.045 -15.643 -15.643 79 HA GLN 13 HA GLN 13 -9.286 -13.067 -13.067 80 1HB GLN 13 HB2 GLN 13 -7.789 -11.793 -11.793 81 2HB GLN 13 HB1 GLN 13 -8.765 -12.915 -12.915 82 1HG GLN 13 HG2 GLN 13 -6.318 -14.180 -14.180 83 2HG GLN 13 HG1 GLN 13 -5.968 -12.724 -12.724 84 1HE2 GLN 13 HE21 GLN 13 -5.118 -14.554 -14.554 85 2HE2 GLN 13 HE22 GLN 13 -6.240 -15.177 -15.177 86 H SER 14 HN SER 14 -7.512 -11.621 -11.621 87 HA SER 14 HA SER 14 -6.231 -12.782 -12.782 88 1HB SER 14 HB2 SER 14 -6.466 -10.316 -10.316 89 2HB SER 14 HB1 SER 14 -4.882 -10.601 -10.601 90 HG SER 14 HG SER 14 -4.585 -9.789 -9.789 91 H ILE 15 HN ILE 15 -4.102 -13.621 -13.621 92 HA ILE 15 HA ILE 15 -2.972 -15.220 -15.220 93 HB ILE 15 HB ILE 15 -2.344 -14.535 -14.535 94 1HG1 ILE 15 HG12 ILE 15 -4.060 -16.222 -16.222 95 2HG1 ILE 15 HG11 ILE 15 -2.656 -16.984 -16.984 96 1HG2 ILE 15 HG23 ILE 15 -0.158 -14.646 -14.646 97 2HG2 ILE 15 HG22 ILE 15 -0.600 -16.220 -16.220 98 3HG2 ILE 15 HG21 ILE 15 -0.386 -16.021 -16.021 99 1HD1 ILE 15 HD12 ILE 15 -1.932 -17.133 -17.133 100 2HD1 ILE 15 HD11 ILE 15 -3.687 -17.222 -17.222 101 3HD1 ILE 15 HD13 ILE 15 -2.832 -18.408 -18.408 102 HA PRO 16 HA PRO 16 -0.284 -12.054 -12.054 103 1HB PRO 16 HB2 PRO 16 1.050 -13.617 -13.617 104 2HB PRO 16 HB1 PRO 16 -0.610 -13.053 -13.053 105 1HG PRO 16 HG2 PRO 16 0.383 -15.721 -15.721 106 2HG PRO 16 HG1 PRO 16 -1.049 -15.287 -15.287 107 1HD PRO 16 HD2 PRO 16 -1.002 -16.012 -16.012 108 2HD PRO 16 HD1 PRO 16 -2.349 -15.233 -15.233 109 H CYS 17 HN CYS 17 0.871 -12.094 -12.094 110 HA CYS 17 HA CYS 17 3.050 -13.842 -13.842 111 1HB CYS 17 HB2 CYS 17 1.792 -11.479 -11.479 112 2HB CYS 17 HB1 CYS 17 3.529 -11.184 -11.184 113 H SER 18 HN SER 18 2.749 -11.186 -11.186 114 HA SER 18 HA SER 18 5.503 -10.423 -10.423 115 1HB SER 18 HB2 SER 18 3.959 -8.937 -8.937 116 2HB SER 18 HB1 SER 18 2.994 -10.227 -10.227 117 HG SER 18 HG SER 18 4.864 -8.782 -8.782 118 H LEU 19 HN LEU 19 4.153 -13.406 -13.406 119 HA LEU 19 HA LEU 19 6.375 -14.045 -14.045 120 1HB LEU 19 HB2 LEU 19 3.435 -14.750 -14.750 121 2HB LEU 19 HB1 LEU 19 4.708 -15.390 -15.390 122 HG LEU 19 HG LEU 19 5.159 -12.647 -12.647 123 1HD1 LEU 19 HD13 LEU 19 2.870 -12.480 -12.480 124 2HD1 LEU 19 HD12 LEU 19 2.192 -13.103 -13.103 125 3HD1 LEU 19 HD11 LEU 19 3.057 -11.567 -11.567 126 1HD2 LEU 19 HD22 LEU 19 5.246 -14.304 -14.304 127 2HD2 LEU 19 HD21 LEU 19 4.425 -12.804 -12.804 128 3HD2 LEU 19 HD23 LEU 19 3.485 -14.252 -14.252 129 H MET 20 HN MET 20 6.095 -14.546 -14.546 130 HA MET 20 HA MET 20 6.238 -17.529 -17.529 131 1HB MET 20 HB2 MET 20 4.970 -16.318 -16.318 132 2HB MET 20 HB1 MET 20 4.600 -17.831 -17.831 133 1HG MET 20 HG2 MET 20 3.903 -15.146 -15.146 134 2HG MET 20 HG1 MET 20 2.815 -16.003 -16.003 135 1HE MET 20 HE1 MET 20 1.010 -16.172 -16.172 136 2HE MET 20 HE3 MET 20 1.111 -17.888 -17.888 137 3HE MET 20 HE2 MET 20 0.709 -17.400 -17.400 138 H LYS 21 HN LYS 21 7.862 -18.345 -18.345 139 HA LYS 21 HA LYS 21 9.654 -16.394 -16.394 140 1HB LYS 21 HB2 LYS 21 10.693 -17.917 -17.917 141 2HB LYS 21 HB1 LYS 21 9.802 -19.291 -19.291 142 1HG LYS 21 HG2 LYS 21 11.100 -19.356 -19.356 143 2HG LYS 21 HG1 LYS 21 11.657 -17.694 -17.694 144 1HD LYS 21 HD2 LYS 21 13.050 -18.322 -18.322 145 2HD LYS 21 HD1 LYS 21 12.373 -19.951 -19.951 146 1HE LYS 21 HE2 LYS 21 13.310 -20.324 -20.324 147 2HE LYS 21 HE1 LYS 21 14.077 -18.726 -18.726 148 1HZ LYS 21 HZ2 LYS 21 14.397 -20.754 -20.754 149 2HZ LYS 21 HZ1 LYS 21 15.447 -20.700 -20.700 150 3HZ LYS 21 HZ3 LYS 21 15.341 -19.372 -19.372 151 H SER 22 HN SER 22 7.674 -19.254 -19.254 152 HA SER 22 HA SER 22 7.877 -18.499 -18.499 153 1HB SER 22 HB2 SER 22 9.623 -20.217 -20.217 154 2HB SER 22 HB1 SER 22 8.281 -21.320 -21.320 155 HG SER 22 HG SER 22 8.412 -19.984 -19.984 156 H TYR 23 HN TYR 23 6.335 -20.135 -20.135 157 HA TYR 23 HA TYR 23 3.969 -20.929 -20.929 158 1HB TYR 23 HB2 TYR 23 2.507 -19.471 -19.471 159 2HB TYR 23 HB1 TYR 23 3.824 -18.489 -18.489 160 HD1 TYR 23 HD1 TYR 23 2.772 -20.412 -20.412 161 HD2 TYR 23 HD2 TYR 23 5.229 -17.264 -17.264 162 HE1 TYR 23 HE1 TYR 23 3.413 -19.755 -19.755 163 HE2 TYR 23 HE2 TYR 23 5.873 -16.607 -16.607 164 HH TYR 23 HH TYR 23 5.686 -18.410 -18.410 165 H PHE 24 HN PHE 24 2.688 -22.534 -22.534 166 HA PHE 24 HA PHE 24 3.471 -23.200 -23.200 167 1HB PHE 24 HB2 PHE 24 4.157 -25.429 -25.429 168 2HB PHE 24 HB1 PHE 24 5.002 -24.345 -24.345 169 HD1 PHE 24 HD1 PHE 24 1.922 -26.473 -26.473 170 HD2 PHE 24 HD2 PHE 24 4.766 -24.581 -24.581 171 HE1 PHE 24 HE1 PHE 24 0.925 -27.645 -27.645 172 HE2 PHE 24 HE2 PHE 24 3.765 -25.757 -25.757 173 HZ PHE 24 HZ PHE 24 1.845 -27.289 -27.289 174 H GLU 25 HN GLU 25 1.933 -24.684 -24.684 175 HA GLU 25 HA GLU 25 -0.772 -24.472 -24.472 176 1HB GLU 25 HB2 GLU 25 -1.448 -25.231 -25.231 177 2HB GLU 25 HB1 GLU 25 -0.308 -23.889 -23.889 178 1HG GLU 25 HG2 GLU 25 1.444 -25.268 -25.268 179 2HG GLU 25 HG1 GLU 25 0.718 -26.714 -26.714 180 H THR 26 HN THR 26 -2.005 -26.322 -26.322 181 HA THR 26 HA THR 26 -0.692 -28.559 -28.559 182 HB THR 26 HB THR 26 -2.952 -29.471 -29.471 183 HG1 THR 26 HG1 THR 26 -4.286 -29.148 -29.148 184 1HG2 THR 26 HG22 THR 26 -2.231 -26.811 -26.811 185 2HG2 THR 26 HG21 THR 26 -3.918 -26.783 -26.783 186 3HG2 THR 26 HG23 THR 26 -3.408 -27.866 -27.866 187 H SER 27 HN SER 27 -0.823 -30.847 -30.847 188 HA SER 27 HA SER 27 0.147 -31.141 -31.141 189 1HB SER 27 HB2 SER 27 -0.825 -33.307 -33.307 190 2HB SER 27 HB1 SER 27 0.467 -33.407 -33.407 191 HG SER 27 HG SER 27 1.666 -32.965 -32.965 192 H SER 28 HN SER 28 -0.899 -32.492 -32.492 193 HA SER 28 HA SER 28 -3.686 -31.888 -31.888 194 1HB SER 28 HB2 SER 28 -3.375 -33.286 -33.286 195 2HB SER 28 HB1 SER 28 -1.975 -32.237 -32.237 196 HG SER 28 HG SER 28 -2.179 -34.929 -34.929 197 H GLU 29 HN GLU 29 -2.152 -34.253 -34.253 198 HA GLU 29 HA GLU 29 -4.049 -36.429 -36.429 199 1HB GLU 29 HB2 GLU 29 -1.570 -35.975 -35.975 200 2HB GLU 29 HB1 GLU 29 -2.643 -36.231 -36.231 201 1HG GLU 29 HG2 GLU 29 -2.940 -38.428 -38.428 202 2HG GLU 29 HG1 GLU 29 -3.095 -38.106 -38.106 203 H CYS 30 HN CYS 30 -4.068 -33.429 -33.429 204 HA CYS 30 HA CYS 30 -5.857 -34.145 -34.145 205 1HB CYS 30 HB2 CYS 30 -5.388 -31.485 -31.485 206 2HB CYS 30 HB1 CYS 30 -5.912 -31.743 -31.743 207 H SER 31 HN SER 31 -8.135 -33.955 -33.955 208 HA SER 31 HA SER 31 -9.629 -34.397 -34.397 209 1HB SER 31 HB2 SER 31 -10.111 -33.768 -33.768 210 2HB SER 31 HB1 SER 31 -11.455 -33.432 -33.432 211 HG SER 31 HG SER 31 -10.403 -35.822 -35.822 212 H LYS 32 HN LYS 32 -8.324 -31.522 -31.522 213 HA LYS 32 HA LYS 32 -9.628 -29.927 -29.927 214 1HB LYS 32 HB2 LYS 32 -10.537 -28.328 -28.328 215 2HB LYS 32 HB1 LYS 32 -11.110 -29.936 -29.936 216 1HG LYS 32 HG2 LYS 32 -9.588 -30.106 -30.106 217 2HG LYS 32 HG1 LYS 32 -8.600 -28.773 -28.773 218 1HD LYS 32 HD2 LYS 32 -10.103 -28.191 -28.191 219 2HD LYS 32 HD1 LYS 32 -10.306 -27.165 -27.165 220 1HE LYS 32 HE2 LYS 32 -12.305 -28.355 -28.355 221 2HE LYS 32 HE1 LYS 32 -12.038 -29.595 -29.595 222 1HZ LYS 32 HZ1 LYS 32 -12.033 -27.690 -27.690 223 2HZ LYS 32 HZ3 LYS 32 -12.649 -26.715 -26.715 224 3HZ LYS 32 HZ2 LYS 32 -13.541 -28.053 -28.053 225 HA PRO 33 HA PRO 33 -5.758 -27.863 -27.863 226 1HB PRO 33 HB2 PRO 33 -6.475 -25.329 -25.329 227 2HB PRO 33 HB1 PRO 33 -6.460 -26.700 -26.700 228 1HG PRO 33 HG2 PRO 33 -8.753 -25.431 -25.431 229 2HG PRO 33 HG1 PRO 33 -8.661 -26.064 -26.064 230 1HD PRO 33 HD2 PRO 33 -9.823 -27.405 -27.405 231 2HD PRO 33 HD1 PRO 33 -9.105 -28.209 -28.209 232 H GLY 34 HN GLY 34 -4.917 -25.443 -25.443 233 1HA GLY 34 HA2 GLY 34 -5.978 -24.003 -24.003 234 2HA GLY 34 HA1 GLY 34 -5.364 -25.446 -25.446 235 H VAL 35 HN VAL 35 -4.181 -23.126 -23.126 236 HA VAL 35 HA VAL 35 -1.483 -23.327 -23.327 237 HB VAL 35 HB VAL 35 -3.201 -20.889 -20.889 238 1HG1 VAL 35 HG12 VAL 35 -0.904 -20.543 -20.543 239 2HG1 VAL 35 HG11 VAL 35 -0.238 -20.935 -20.935 240 3HG1 VAL 35 HG13 VAL 35 -1.245 -19.502 -19.502 241 1HG2 VAL 35 HG23 VAL 35 -2.151 -22.374 -22.374 242 2HG2 VAL 35 HG22 VAL 35 -3.575 -21.340 -21.340 243 3HG2 VAL 35 HG21 VAL 35 -1.981 -20.623 -20.623 244 H ILE 36 HN ILE 36 -0.260 -24.082 -24.082 245 HA ILE 36 HA ILE 36 -0.865 -23.048 -23.048 246 HB ILE 36 HB ILE 36 0.365 -25.475 -25.475 247 1HG1 ILE 36 HG12 ILE 36 -1.448 -24.856 -24.856 248 2HG1 ILE 36 HG11 ILE 36 -1.875 -25.653 -25.653 249 1HG2 ILE 36 HG22 ILE 36 2.190 -24.538 -24.538 250 2HG2 ILE 36 HG21 ILE 36 1.074 -24.573 -24.573 251 3HG2 ILE 36 HG23 ILE 36 1.566 -26.078 -26.078 252 1HD1 ILE 36 HD11 ILE 36 0.073 -26.763 -26.763 253 2HD1 ILE 36 HD13 ILE 36 -1.612 -27.262 -27.262 254 3HD1 ILE 36 HD12 ILE 36 -0.478 -27.572 -27.572 255 H PHE 37 HN PHE 37 0.507 -21.588 -21.588 256 HA PHE 37 HA PHE 37 2.954 -20.807 -20.807 257 1HB PHE 37 HB2 PHE 37 1.448 -19.607 -19.607 258 2HB PHE 37 HB1 PHE 37 2.863 -18.871 -18.871 259 HD1 PHE 37 HD1 PHE 37 -0.567 -20.145 -20.145 260 HD2 PHE 37 HD2 PHE 37 2.614 -17.463 -17.463 261 HE1 PHE 37 HE1 PHE 37 -2.024 -19.105 -19.105 262 HE2 PHE 37 HE2 PHE 37 1.153 -16.428 -16.428 263 HZ PHE 37 HZ PHE 37 -1.166 -17.246 -17.246 264 H LEU 38 HN LEU 38 5.005 -21.262 -21.262 265 HA LEU 38 HA LEU 38 5.136 -22.817 -22.817 266 1HB LEU 38 HB2 LEU 38 6.231 -23.085 -23.085 267 2HB LEU 38 HB1 LEU 38 7.583 -22.544 -22.544 268 HG LEU 38 HG LEU 38 5.830 -24.657 -24.657 269 1HD1 LEU 38 HD11 LEU 38 7.364 -24.941 -24.941 270 2HD1 LEU 38 HD13 LEU 38 7.607 -26.214 -26.214 271 3HD1 LEU 38 HD12 LEU 38 5.986 -25.871 -25.871 272 1HD2 LEU 38 HD22 LEU 38 8.299 -23.463 -23.463 273 2HD2 LEU 38 HD21 LEU 38 7.618 -24.891 -24.891 274 3HD2 LEU 38 HD23 LEU 38 8.709 -25.073 -25.073 275 H THR 39 HN THR 39 5.718 -21.677 -21.677 276 HA THR 39 HA THR 39 7.025 -19.045 -19.045 277 HB THR 39 HB THR 39 6.308 -18.763 -18.763 278 HG1 THR 39 HG1 THR 39 6.584 -20.331 -20.331 279 1HG2 THR 39 HG22 THR 39 4.505 -19.501 -19.501 280 2HG2 THR 39 HG21 THR 39 4.214 -20.756 -20.756 281 3HG2 THR 39 HG23 THR 39 4.050 -19.056 -19.056 282 H LYS 40 HN LYS 40 9.067 -18.563 -18.563 283 HA LYS 40 HA LYS 40 11.048 -20.655 -20.655 284 1HB LYS 40 HB2 LYS 40 11.470 -18.277 -18.277 285 2HB LYS 40 HB1 LYS 40 11.083 -17.836 -17.836 286 1HG LYS 40 HG2 LYS 40 12.936 -19.580 -19.580 287 2HG LYS 40 HG1 LYS 40 13.461 -19.355 -19.355 288 1HD LYS 40 HD2 LYS 40 13.626 -16.918 -16.918 289 2HD LYS 40 HD1 LYS 40 13.109 -17.147 -17.147 290 1HE LYS 40 HE2 LYS 40 15.440 -17.138 -17.138 291 2HE LYS 40 HE1 LYS 40 15.144 -18.873 -18.873 292 1HZ LYS 40 HZ3 LYS 40 15.411 -17.181 -17.181 293 2HZ LYS 40 HZ2 LYS 40 16.829 -17.580 -17.580 294 3HZ LYS 40 HZ1 LYS 40 15.838 -18.809 -18.809 295 H LYS 41 HN LYS 41 8.950 -19.370 -19.370 296 HA LYS 41 HA LYS 41 10.490 -20.144 -20.144 297 1HB LYS 41 HB2 LYS 41 8.326 -18.610 -18.610 298 2HB LYS 41 HB1 LYS 41 7.512 -20.083 -20.083 299 1HG LYS 41 HG2 LYS 41 9.833 -19.166 -19.166 300 2HG LYS 41 HG1 LYS 41 8.352 -18.215 -18.215 301 1HD LYS 41 HD2 LYS 41 7.089 -20.310 -20.310 302 2HD LYS 41 HD1 LYS 41 8.610 -21.201 -21.201 303 1HE LYS 41 HE2 LYS 41 9.452 -19.841 -19.841 304 2HE LYS 41 HE1 LYS 41 7.956 -18.887 -18.887 305 1HZ LYS 41 HZ1 LYS 41 6.777 -21.105 -21.105 306 2HZ LYS 41 HZ3 LYS 41 8.284 -21.780 -21.780 307 3HZ LYS 41 HZ2 LYS 41 7.603 -20.588 -20.588 308 H GLY 42 HN GLY 42 8.856 -21.967 -21.967 309 1HA GLY 42 HA2 GLY 42 8.921 -24.380 -24.380 310 2HA GLY 42 HA1 GLY 42 9.065 -24.378 -24.378 311 H ARG 43 HN ARG 43 6.692 -22.918 -22.918 312 HA ARG 43 HA ARG 43 4.553 -24.579 -24.579 313 1HB ARG 43 HB2 ARG 43 5.179 -21.961 -21.961 314 2HB ARG 43 HB1 ARG 43 3.778 -21.781 -21.781 315 1HG ARG 43 HG2 ARG 43 2.750 -22.194 -22.194 316 2HG ARG 43 HG1 ARG 43 2.849 -23.825 -23.825 317 1HD ARG 43 HD2 ARG 43 5.264 -23.697 -23.697 318 2HD ARG 43 HD1 ARG 43 4.333 -22.619 -22.619 319 HE ARG 43 HE ARG 43 2.602 -24.540 -24.540 320 1HH1 ARG 43 HH11 ARG 43 4.744 -25.130 -25.130 321 2HH1 ARG 43 HH12 ARG 43 5.303 -26.692 -26.692 322 1HH2 ARG 43 HH21 ARG 43 3.845 -26.509 -26.509 323 2HH2 ARG 43 HH22 ARG 43 4.795 -27.473 -27.473 324 H GLN 44 HN GLN 44 2.377 -23.934 -23.934 325 HA GLN 44 HA GLN 44 2.909 -23.082 -23.082 326 1HB GLN 44 HB2 GLN 44 1.585 -25.722 -25.722 327 2HB GLN 44 HB1 GLN 44 2.152 -25.157 -25.157 328 1HG GLN 44 HG2 GLN 44 4.490 -25.103 -25.103 329 2HG GLN 44 HG1 GLN 44 3.838 -25.924 -25.924 330 1HE2 GLN 44 HE21 GLN 44 1.880 -27.495 -27.495 331 2HE2 GLN 44 HE22 GLN 44 2.803 -28.682 -28.682 332 H VAL 45 HN VAL 45 1.156 -21.999 -21.999 333 HA VAL 45 HA VAL 45 -1.364 -21.996 -21.996 334 HB VAL 45 HB VAL 45 -0.028 -20.078 -20.078 335 1HG1 VAL 45 HG12 VAL 45 -2.850 -19.996 -19.996 336 2HG1 VAL 45 HG11 VAL 45 -2.045 -18.619 -18.619 337 3HG1 VAL 45 HG13 VAL 45 -2.386 -20.066 -20.066 338 1HG2 VAL 45 HG22 VAL 45 -0.366 -20.339 -20.339 339 2HG2 VAL 45 HG21 VAL 45 0.758 -19.330 -19.330 340 3HG2 VAL 45 HG23 VAL 45 -0.882 -18.762 -18.762 341 H CYS 46 HN CYS 46 -3.401 -21.791 -21.791 342 HA CYS 46 HA CYS 46 -3.074 -23.232 -23.232 343 1HB CYS 46 HB2 CYS 46 -4.314 -24.063 -24.063 344 2HB CYS 46 HB1 CYS 46 -5.487 -24.068 -24.068 345 H ALA 47 HN ALA 47 -3.937 -21.904 -21.904 346 HA ALA 47 HA ALA 47 -6.350 -20.280 -20.280 347 1HB ALA 47 HB3 ALA 47 -3.761 -19.655 -19.655 348 2HB ALA 47 HB2 ALA 47 -5.173 -18.952 -18.952 349 3HB ALA 47 HB1 ALA 47 -4.852 -18.604 -18.604 350 H LYS 48 HN LYS 48 -7.900 -19.990 -19.990 351 HA LYS 48 HA LYS 48 -8.571 -22.226 -22.226 352 1HB LYS 48 HB2 LYS 48 -9.406 -19.497 -19.497 353 2HB LYS 48 HB1 LYS 48 -9.530 -19.879 -19.879 354 1HG LYS 48 HG2 LYS 48 -10.612 -22.123 -22.123 355 2HG LYS 48 HG1 LYS 48 -10.968 -21.095 -21.095 356 1HD LYS 48 HD2 LYS 48 -11.591 -20.160 -20.160 357 2HD LYS 48 HD1 LYS 48 -12.714 -21.210 -21.210 358 1HE LYS 48 HE2 LYS 48 -11.637 -18.686 -18.686 359 2HE LYS 48 HE1 LYS 48 -13.090 -18.668 -18.668 360 1HZ LYS 48 HZ3 LYS 48 -13.628 -20.781 -20.781 361 2HZ LYS 48 HZ2 LYS 48 -12.630 -19.983 -19.983 362 3HZ LYS 48 HZ1 LYS 48 -14.031 -19.222 -19.222 363 HA PRO 49 HA PRO 49 -6.200 -21.950 -21.950 364 1HB PRO 49 HB2 PRO 49 -8.050 -22.142 -22.142 365 2HB PRO 49 HB1 PRO 49 -7.596 -23.513 -23.513 366 1HG PRO 49 HG2 PRO 49 -9.984 -21.732 -21.732 367 2HG PRO 49 HG1 PRO 49 -9.865 -23.480 -23.480 368 1HD PRO 49 HD2 PRO 49 -10.015 -21.669 -21.669 369 2HD PRO 49 HD1 PRO 49 -9.207 -23.243 -23.243 370 H SER 50 HN SER 50 -9.006 -19.792 -19.792 371 HA SER 50 HA SER 50 -7.408 -17.740 -17.740 372 1HB SER 50 HB2 SER 50 -10.397 -18.275 -18.275 373 2HB SER 50 HB1 SER 50 -9.548 -17.048 -17.048 374 HG SER 50 HG SER 50 -8.607 -18.583 -18.583 375 H GLY 51 HN GLY 51 -7.530 -18.093 -18.093 376 1HA GLY 51 HA2 GLY 51 -9.460 -16.442 -16.442 377 2HA GLY 51 HA1 GLY 51 -7.859 -16.790 -16.790 378 HA PRO 52 HA PRO 52 -8.284 -12.454 -12.454 379 1HB PRO 52 HB2 PRO 52 -9.487 -10.980 -10.980 380 2HB PRO 52 HB1 PRO 52 -10.387 -11.750 -11.750 381 1HG PRO 52 HG2 PRO 52 -9.976 -12.671 -12.671 382 2HG PRO 52 HG1 PRO 52 -11.440 -12.716 -12.716 383 1HD PRO 52 HD2 PRO 52 -9.874 -14.891 -14.891 384 2HD PRO 52 HD1 PRO 52 -10.789 -14.638 -14.638 385 H GLY 53 HN GLY 53 -6.056 -12.238 -12.238 386 1HA GLY 53 HA2 GLY 53 -4.455 -10.787 -10.787 387 2HA GLY 53 HA1 GLY 53 -5.187 -11.371 -11.371 388 H VAL 54 HN VAL 54 -5.345 -14.152 -14.152 389 HA VAL 54 HA VAL 54 -2.874 -15.174 -15.174 390 HB VAL 54 HB VAL 54 -4.975 -16.361 -16.361 391 1HG1 VAL 54 HG12 VAL 54 -2.790 -17.594 -17.594 392 2HG1 VAL 54 HG11 VAL 54 -2.956 -17.773 -17.773 393 3HG1 VAL 54 HG13 VAL 54 -4.127 -18.531 -18.531 394 1HG2 VAL 54 HG21 VAL 54 -5.402 -15.431 -15.431 395 2HG2 VAL 54 HG23 VAL 54 -6.196 -16.884 -16.884 396 3HG2 VAL 54 HG22 VAL 54 -4.764 -17.021 -17.021 397 H GLN 55 HN GLN 55 -4.018 -14.709 -14.709 398 HA GLN 55 HA GLN 55 -1.610 -15.723 -15.723 399 1HB GLN 55 HB2 GLN 55 -4.042 -15.238 -15.238 400 2HB GLN 55 HB1 GLN 55 -3.407 -13.622 -13.622 401 1HG GLN 55 HG2 GLN 55 -2.242 -14.334 -14.334 402 2HG GLN 55 HG1 GLN 55 -1.560 -15.688 -15.688 403 1HE2 GLN 55 HE21 GLN 55 -2.377 -17.750 -17.750 404 2HE2 GLN 55 HE22 GLN 55 -3.762 -18.034 -18.034 405 H ASP 56 HN ASP 56 -2.669 -12.533 -12.533 406 HA ASP 56 HA ASP 56 -0.482 -11.029 -11.029 407 1HB ASP 56 HB2 ASP 56 -2.729 -10.237 -10.237 408 2HB ASP 56 HB1 ASP 56 -2.022 -10.471 -10.471 409 H CYS 57 HN CYS 57 -0.918 -12.967 -12.967 410 HA CYS 57 HA CYS 57 1.413 -12.053 -12.053 411 1HB CYS 57 HB2 CYS 57 -0.512 -13.308 -13.308 412 2HB CYS 57 HB1 CYS 57 -0.044 -14.720 -14.720 413 H MET 58 HN MET 58 0.828 -14.849 -14.849 414 HA MET 58 HA MET 58 3.534 -15.825 -15.825 415 1HB MET 58 HB2 MET 58 1.468 -16.070 -16.070 416 2HB MET 58 HB1 MET 58 2.762 -17.202 -17.202 417 1HG MET 58 HG2 MET 58 1.661 -17.426 -17.426 418 2HG MET 58 HG1 MET 58 0.270 -16.608 -16.608 419 1HE MET 58 HE1 MET 58 -0.698 -17.345 -17.345 420 2HE MET 58 HE3 MET 58 0.889 -17.709 -17.709 421 3HE MET 58 HE2 MET 58 -0.402 -18.906 -18.906 422 H LYS 59 HN LYS 59 1.883 -13.339 -13.339 423 HA LYS 59 HA LYS 59 3.818 -13.076 -13.076 424 1HB LYS 59 HB2 LYS 59 1.356 -12.049 -12.049 425 2HB LYS 59 HB1 LYS 59 2.400 -10.663 -10.663 426 1HG LYS 59 HG2 LYS 59 2.803 -10.335 -10.335 427 2HG LYS 59 HG1 LYS 59 3.069 -12.055 -12.055 428 1HD LYS 59 HD2 LYS 59 0.650 -12.445 -12.445 429 2HD LYS 59 HD1 LYS 59 0.348 -10.748 -10.748 430 1HE LYS 59 HE2 LYS 59 1.470 -10.086 -10.086 431 2HE LYS 59 HE1 LYS 59 1.754 -11.797 -11.797 432 1HZ LYS 59 HZ1 LYS 59 -0.759 -12.014 -12.014 433 2HZ LYS 59 HZ3 LYS 59 -0.808 -10.340 -10.340 434 3HZ LYS 59 HZ2 LYS 59 -0.272 -11.380 -11.380 435 H LYS 60 HN LYS 60 3.362 -11.303 -11.303 436 HA LYS 60 HA LYS 60 5.758 -9.715 -9.715 437 1HB LYS 60 HB2 LYS 60 3.531 -10.100 -10.100 438 2HB LYS 60 HB1 LYS 60 5.013 -10.130 -10.130 439 1HG LYS 60 HG2 LYS 60 4.980 -8.030 -8.030 440 2HG LYS 60 HG1 LYS 60 3.722 -7.842 -7.842 441 1HD LYS 60 HD2 LYS 60 5.325 -7.841 -7.841 442 2HD LYS 60 HD1 LYS 60 6.617 -8.375 -8.375 443 1HE LYS 60 HE2 LYS 60 6.194 -6.190 -6.190 444 2HE LYS 60 HE1 LYS 60 5.276 -5.665 -5.665 445 1HZ LYS 60 HZ3 LYS 60 8.007 -6.819 -6.819 446 2HZ LYS 60 HZ2 LYS 60 7.734 -5.148 -5.148 447 3HZ LYS 60 HZ1 LYS 60 7.149 -5.995 -5.995 448 H LEU 61 HN LEU 61 5.168 -13.008 -13.008 449 HA LEU 61 HA LEU 61 7.541 -13.363 -13.363 450 1HB LEU 61 HB2 LEU 61 5.159 -14.729 -14.729 451 2HB LEU 61 HB1 LEU 61 6.483 -15.773 -15.773 452 HG LEU 61 HG LEU 61 7.462 -15.740 -15.740 453 1HD1 LEU 61 HD11 LEU 61 5.850 -13.325 -13.325 454 2HD1 LEU 61 HD13 LEU 61 5.631 -14.387 -14.387 455 3HD1 LEU 61 HD12 LEU 61 7.247 -13.831 -13.831 456 1HD2 LEU 61 HD23 LEU 61 4.605 -16.414 -16.414 457 2HD2 LEU 61 HD22 LEU 61 5.931 -17.408 -17.408 458 3HD2 LEU 61 HD21 LEU 61 5.129 -16.261 -16.261 459 H LYS 62 HN LYS 62 8.170 -12.180 -12.180 460 HA LYS 62 HA LYS 62 9.624 -12.495 -12.495 461 1HB LYS 62 HB2 LYS 62 10.850 -13.004 -13.004 462 2HB LYS 62 HB1 LYS 62 10.831 -14.672 -14.672 463 1HG LYS 62 HG2 LYS 62 12.622 -14.212 -14.212 464 2HG LYS 62 HG1 LYS 62 11.637 -13.067 -13.067 465 1HD LYS 62 HD2 LYS 62 12.799 -11.348 -11.348 466 2HD LYS 62 HD1 LYS 62 12.365 -11.864 -11.864 467 1HE LYS 62 HE2 LYS 62 14.784 -11.885 -11.885 468 2HE LYS 62 HE1 LYS 62 14.260 -13.579 -13.579 469 1HZ LYS 62 HZ2 LYS 62 14.649 -11.902 -11.902 470 2HZ LYS 62 HZ1 LYS 62 15.863 -12.912 -12.912 471 3HZ LYS 62 HZ3 LYS 62 14.410 -13.583 -13.583 472 HA PRO 63 HA PRO 63 7.467 -16.160 -16.160 473 1HB PRO 63 HB2 PRO 63 7.116 -15.092 -15.092 474 2HB PRO 63 HB1 PRO 63 6.012 -14.774 -14.774 475 1HG PRO 63 HG2 PRO 63 8.194 -13.078 -13.078 476 2HG PRO 63 HG1 PRO 63 6.604 -12.607 -12.607 477 1HD PRO 63 HD2 PRO 63 8.930 -12.346 -12.346 478 2HD PRO 63 HD1 PRO 63 7.328 -12.528 -12.528 479 H TYR 64 HN TYR 64 9.543 -17.311 -17.311 480 HA TYR 64 HA TYR 64 10.873 -17.503 -17.503 481 1HB TYR 64 HB2 TYR 64 11.861 -15.965 -15.965 482 2HB TYR 64 HB1 TYR 64 12.919 -17.361 -17.361 483 HD1 TYR 64 HD1 TYR 64 12.761 -17.854 -17.854 484 HD2 TYR 64 HD2 TYR 64 13.015 -14.146 -14.146 485 HE1 TYR 64 HE1 TYR 64 13.797 -16.777 -16.777 486 HE2 TYR 64 HE2 TYR 64 14.051 -13.069 -13.069 487 HH TYR 64 HH TYR 64 14.246 -14.701 -14.701 488 H SER 65 HN SER 65 9.314 -19.145 -19.145 489 HA SER 65 HA SER 65 9.401 -21.347 -21.347 490 1HB SER 65 HB2 SER 65 11.377 -21.710 -21.710 491 2HB SER 65 HB1 SER 65 10.252 -22.904 -22.904 492 HG SER 65 HG SER 65 9.284 -22.116 -22.116 493 H ILE 66 HN ILE 66 10.595 -20.577 -20.577 494 HA ILE 66 HA ILE 66 13.518 -21.239 -21.239 495 HB ILE 66 HB ILE 66 11.779 -19.437 -19.437 496 1HG1 ILE 66 HG12 ILE 66 14.086 -18.142 -18.142 497 2HG1 ILE 66 HG11 ILE 66 13.476 -19.105 -19.105 498 1HG2 ILE 66 HG22 ILE 66 13.469 -20.658 -20.658 499 2HG2 ILE 66 HG21 ILE 66 14.736 -20.020 -20.020 500 3HG2 ILE 66 HG23 ILE 66 13.761 -18.920 -18.920 501 1HD1 ILE 66 HD13 ILE 66 11.179 -18.001 -18.001 502 2HD1 ILE 66 HD12 ILE 66 12.360 -16.692 -16.692 503 3HD1 ILE 66 HD11 ILE 66 11.966 -17.461 -17.461 Start of MODEL 19 1 1H HIS 1 HT2 HIS 1 10.999 -40.258 -40.258 2 2H HIS 1 HT1 HIS 1 11.905 -40.887 -40.887 3 3H HIS 1 HT3 HIS 1 10.556 -41.736 -41.736 4 HA HIS 1 HA HIS 1 9.984 -40.622 -40.622 5 1HB HIS 1 HB2 HIS 1 11.805 -38.937 -38.937 6 2HB HIS 1 HB1 HIS 1 10.817 -38.156 -38.156 7 HD1 HIS 1 HD1 HIS 1 8.358 -37.348 -37.348 8 HD2 HIS 1 HD2 HIS 1 11.245 -38.074 -38.074 9 HE1 HIS 1 HE1 HIS 1 7.548 -36.204 -36.204 10 H PHE 2 HN PHE 2 7.800 -39.951 -39.951 11 HA PHE 2 HA PHE 2 6.328 -38.840 -38.840 12 1HB PHE 2 HB2 PHE 2 6.695 -41.573 -41.573 13 2HB PHE 2 HB1 PHE 2 5.137 -41.360 -41.360 14 HD1 PHE 2 HD1 PHE 2 3.307 -40.068 -40.068 15 HD2 PHE 2 HD2 PHE 2 6.904 -41.374 -41.374 16 HE1 PHE 2 HE1 PHE 2 2.215 -39.777 -39.777 17 HE2 PHE 2 HE2 PHE 2 5.812 -41.084 -41.084 18 HZ PHE 2 HZ PHE 2 3.467 -40.285 -40.285 19 H ALA 3 HN ALA 3 5.238 -37.263 -37.263 20 HA ALA 3 HA ALA 3 3.473 -38.143 -38.143 21 1HB ALA 3 HB3 ALA 3 5.712 -37.521 -37.521 22 2HB ALA 3 HB2 ALA 3 5.514 -35.910 -35.910 23 3HB ALA 3 HB1 ALA 3 4.421 -36.466 -36.466 24 H ALA 4 HN ALA 4 1.990 -36.290 -36.290 25 HA ALA 4 HA ALA 4 1.713 -34.115 -34.115 26 1HB ALA 4 HB2 ALA 4 0.504 -36.505 -36.505 27 2HB ALA 4 HB1 ALA 4 -0.743 -35.711 -35.711 28 3HB ALA 4 HB3 ALA 4 -0.171 -34.963 -34.963 29 H ASP 5 HN ASP 5 0.682 -32.319 -32.319 30 HA ASP 5 HA ASP 5 -0.384 -32.658 -32.658 31 1HB ASP 5 HB2 ASP 5 1.067 -30.316 -30.316 32 2HB ASP 5 HB1 ASP 5 0.563 -30.423 -30.423 33 H CYS 6 HN CYS 6 -2.469 -31.919 -31.919 34 HA CYS 6 HA CYS 6 -3.576 -29.874 -29.874 35 1HB CYS 6 HB2 CYS 6 -4.779 -32.621 -32.621 36 2HB CYS 6 HB1 CYS 6 -5.479 -31.344 -31.344 37 H CYS 7 HN CYS 7 -4.898 -28.496 -28.496 38 HA CYS 7 HA CYS 7 -5.558 -29.161 -29.161 39 1HB CYS 7 HB2 CYS 7 -4.810 -26.846 -26.846 40 2HB CYS 7 HB1 CYS 7 -6.336 -26.531 -26.531 41 H THR 8 HN THR 8 -7.728 -29.059 -29.059 42 HA THR 8 HA THR 8 -9.814 -29.379 -29.379 43 HB THR 8 HB THR 8 -9.513 -31.104 -31.104 44 HG1 THR 8 HG1 THR 8 -11.585 -30.888 -30.888 45 1HG2 THR 8 HG23 THR 8 -9.107 -28.877 -28.877 46 2HG2 THR 8 HG22 THR 8 -10.637 -29.565 -29.565 47 3HG2 THR 8 HG21 THR 8 -9.183 -30.562 -30.562 48 H SER 9 HN SER 9 -8.644 -27.164 -27.164 49 HA SER 9 HA SER 9 -10.979 -25.361 -25.361 50 1HB SER 9 HB2 SER 9 -10.775 -24.750 -24.750 51 2HB SER 9 HB1 SER 9 -11.315 -26.404 -26.404 52 HG SER 9 HG SER 9 -9.644 -27.011 -27.011 53 H TYR 10 HN TYR 10 -10.292 -23.280 -23.280 54 HA TYR 10 HA TYR 10 -7.379 -22.772 -22.772 55 1HB TYR 10 HB2 TYR 10 -9.821 -21.292 -21.292 56 2HB TYR 10 HB1 TYR 10 -8.164 -20.754 -20.754 57 HD1 TYR 10 HD1 TYR 10 -6.897 -23.524 -23.524 58 HD2 TYR 10 HD2 TYR 10 -10.449 -21.779 -21.779 59 HE1 TYR 10 HE1 TYR 10 -6.733 -25.053 -25.053 60 HE2 TYR 10 HE2 TYR 10 -10.282 -23.309 -23.309 61 HH TYR 10 HH TYR 10 -9.093 -24.892 -24.892 62 H ILE 11 HN ILE 11 -7.282 -20.053 -20.053 63 HA ILE 11 HA ILE 11 -7.291 -19.719 -19.719 64 HB ILE 11 HB ILE 11 -6.245 -17.617 -17.617 65 1HG1 ILE 11 HG12 ILE 11 -7.765 -18.044 -18.044 66 2HG1 ILE 11 HG11 ILE 11 -7.626 -16.594 -16.594 67 1HG2 ILE 11 HG23 ILE 11 -5.069 -19.834 -19.834 68 2HG2 ILE 11 HG22 ILE 11 -5.489 -19.498 -19.498 69 3HG2 ILE 11 HG21 ILE 11 -4.445 -18.386 -18.386 70 1HD1 ILE 11 HD12 ILE 11 -5.055 -16.820 -16.820 71 2HD1 ILE 11 HD11 ILE 11 -5.788 -17.653 -17.653 72 3HD1 ILE 11 HD13 ILE 11 -6.233 -15.984 -15.984 73 H SER 12 HN SER 12 -8.191 -17.382 -17.382 74 HA SER 12 HA SER 12 -11.081 -17.337 -17.337 75 1HB SER 12 HB2 SER 12 -10.701 -15.799 -15.799 76 2HB SER 12 HB1 SER 12 -11.167 -17.498 -17.498 77 HG SER 12 HG SER 12 -9.088 -16.597 -16.597 78 H GLN 13 HN GLN 13 -8.234 -15.732 -15.732 79 HA GLN 13 HA GLN 13 -9.658 -13.369 -13.369 80 1HB GLN 13 HB2 GLN 13 -8.034 -11.888 -11.888 81 2HB GLN 13 HB1 GLN 13 -9.359 -12.636 -12.636 82 1HG GLN 13 HG2 GLN 13 -7.957 -14.226 -14.226 83 2HG GLN 13 HG1 GLN 13 -6.716 -14.056 -14.056 84 1HE2 GLN 13 HE21 GLN 13 -6.416 -13.729 -13.729 85 2HE2 GLN 13 HE22 GLN 13 -5.824 -12.154 -12.154 86 H SER 14 HN SER 14 -7.975 -11.869 -11.869 87 HA SER 14 HA SER 14 -6.541 -13.039 -13.039 88 1HB SER 14 HB2 SER 14 -5.398 -10.718 -10.718 89 2HB SER 14 HB1 SER 14 -5.440 -10.951 -10.951 90 HG SER 14 HG SER 14 -7.101 -9.641 -9.641 91 H ILE 15 HN ILE 15 -4.430 -13.893 -13.893 92 HA ILE 15 HA ILE 15 -3.250 -15.261 -15.261 93 HB ILE 15 HB ILE 15 -2.461 -14.757 -14.757 94 1HG1 ILE 15 HG12 ILE 15 -4.441 -16.244 -16.244 95 2HG1 ILE 15 HG11 ILE 15 -3.192 -17.005 -17.005 96 1HG2 ILE 15 HG23 ILE 15 -0.470 -15.091 -15.091 97 2HG2 ILE 15 HG22 ILE 15 -1.112 -16.697 -16.697 98 3HG2 ILE 15 HG21 ILE 15 -0.621 -16.268 -16.268 99 1HD1 ILE 15 HD11 ILE 15 -3.093 -17.166 -17.166 100 2HD1 ILE 15 HD13 ILE 15 -4.069 -18.300 -18.300 101 3HD1 ILE 15 HD12 ILE 15 -2.327 -18.222 -18.222 102 HA PRO 16 HA PRO 16 -0.540 -11.993 -11.993 103 1HB PRO 16 HB2 PRO 16 1.021 -13.464 -13.464 104 2HB PRO 16 HB1 PRO 16 -0.635 -12.980 -12.980 105 1HG PRO 16 HG2 PRO 16 0.408 -15.601 -15.601 106 2HG PRO 16 HG1 PRO 16 -0.909 -15.243 -15.243 107 1HD PRO 16 HD2 PRO 16 -1.214 -15.996 -15.996 108 2HD PRO 16 HD1 PRO 16 -2.449 -15.182 -15.182 109 H CYS 17 HN CYS 17 0.507 -11.841 -11.841 110 HA CYS 17 HA CYS 17 2.580 -13.584 -13.584 111 1HB CYS 17 HB2 CYS 17 2.415 -10.591 -10.591 112 2HB CYS 17 HB1 CYS 17 3.068 -11.788 -11.788 113 H SER 18 HN SER 18 2.535 -10.988 -10.988 114 HA SER 18 HA SER 18 5.343 -10.431 -10.431 115 1HB SER 18 HB2 SER 18 3.077 -9.360 -9.360 116 2HB SER 18 HB1 SER 18 3.606 -10.242 -10.242 117 HG SER 18 HG SER 18 4.598 -7.976 -7.976 118 H LEU 19 HN LEU 19 3.865 -13.341 -13.341 119 HA LEU 19 HA LEU 19 6.051 -14.075 -14.075 120 1HB LEU 19 HB2 LEU 19 3.103 -14.158 -14.158 121 2HB LEU 19 HB1 LEU 19 3.960 -15.603 -15.603 122 HG LEU 19 HG LEU 19 5.426 -13.315 -13.315 123 1HD1 LEU 19 HD13 LEU 19 2.936 -12.425 -12.425 124 2HD1 LEU 19 HD12 LEU 19 2.688 -13.247 -13.247 125 3HD1 LEU 19 HD11 LEU 19 3.887 -11.961 -11.961 126 1HD2 LEU 19 HD23 LEU 19 4.890 -15.794 -15.794 127 2HD2 LEU 19 HD22 LEU 19 5.442 -14.501 -14.501 128 3HD2 LEU 19 HD21 LEU 19 3.725 -14.889 -14.889 129 H MET 20 HN MET 20 5.767 -14.518 -14.518 130 HA MET 20 HA MET 20 5.802 -17.515 -17.515 131 1HB MET 20 HB2 MET 20 4.622 -15.956 -15.956 132 2HB MET 20 HB1 MET 20 4.377 -17.648 -17.648 133 1HG MET 20 HG2 MET 20 3.484 -15.460 -15.460 134 2HG MET 20 HG1 MET 20 2.473 -15.952 -15.952 135 1HE MET 20 HE1 MET 20 0.718 -16.361 -16.361 136 2HE MET 20 HE3 MET 20 0.575 -17.943 -17.943 137 3HE MET 20 HE2 MET 20 0.360 -17.789 -17.789 138 H LYS 21 HN LYS 21 7.564 -18.325 -18.325 139 HA LYS 21 HA LYS 21 9.348 -16.486 -16.486 140 1HB LYS 21 HB2 LYS 21 10.397 -17.629 -17.629 141 2HB LYS 21 HB1 LYS 21 9.622 -19.157 -19.157 142 1HG LYS 21 HG2 LYS 21 12.027 -19.074 -19.074 143 2HG LYS 21 HG1 LYS 21 10.940 -19.317 -19.317 144 1HD LYS 21 HD2 LYS 21 11.243 -17.143 -17.143 145 2HD LYS 21 HD1 LYS 21 11.721 -16.525 -16.525 146 1HE LYS 21 HE2 LYS 21 13.913 -17.293 -17.293 147 2HE LYS 21 HE1 LYS 21 13.450 -18.598 -18.598 148 1HZ LYS 21 HZ3 LYS 21 12.624 -16.336 -16.336 149 2HZ LYS 21 HZ2 LYS 21 14.097 -15.855 -15.855 150 3HZ LYS 21 HZ1 LYS 21 14.046 -17.194 -17.194 151 H SER 22 HN SER 22 7.567 -19.564 -19.564 152 HA SER 22 HA SER 22 7.806 -19.280 -19.280 153 1HB SER 22 HB2 SER 22 9.857 -20.447 -20.447 154 2HB SER 22 HB1 SER 22 8.843 -21.685 -21.685 155 HG SER 22 HG SER 22 8.780 -20.998 -20.998 156 H TYR 23 HN TYR 23 5.747 -19.641 -19.641 157 HA TYR 23 HA TYR 23 3.925 -21.396 -21.396 158 1HB TYR 23 HB2 TYR 23 2.222 -20.301 -20.301 159 2HB TYR 23 HB1 TYR 23 3.359 -19.064 -19.064 160 HD1 TYR 23 HD1 TYR 23 2.526 -21.313 -21.313 161 HD2 TYR 23 HD2 TYR 23 4.594 -17.776 -17.776 162 HE1 TYR 23 HE1 TYR 23 3.012 -20.735 -20.735 163 HE2 TYR 23 HE2 TYR 23 5.080 -17.198 -17.198 164 HH TYR 23 HH TYR 23 5.162 -18.099 -18.099 165 H PHE 24 HN PHE 24 2.575 -22.989 -22.989 166 HA PHE 24 HA PHE 24 3.766 -23.867 -23.867 167 1HB PHE 24 HB2 PHE 24 4.418 -25.993 -25.993 168 2HB PHE 24 HB1 PHE 24 4.951 -24.879 -24.879 169 HD1 PHE 24 HD1 PHE 24 2.236 -27.246 -27.246 170 HD2 PHE 24 HD2 PHE 24 4.062 -24.985 -24.985 171 HE1 PHE 24 HE1 PHE 24 0.855 -28.460 -28.460 172 HE2 PHE 24 HE2 PHE 24 2.681 -26.199 -26.199 173 HZ PHE 24 HZ PHE 24 1.078 -27.937 -27.937 174 H GLU 25 HN GLU 25 2.287 -25.074 -25.074 175 HA GLU 25 HA GLU 25 -0.527 -24.957 -24.957 176 1HB GLU 25 HB2 GLU 25 0.801 -25.681 -25.681 177 2HB GLU 25 HB1 GLU 25 -0.940 -25.516 -25.516 178 1HG GLU 25 HG2 GLU 25 0.018 -23.161 -23.161 179 2HG GLU 25 HG1 GLU 25 1.119 -23.433 -23.433 180 H THR 26 HN THR 26 -1.740 -26.802 -26.802 181 HA THR 26 HA THR 26 -0.406 -29.256 -29.256 182 HB THR 26 HB THR 26 -2.712 -30.030 -30.030 183 HG1 THR 26 HG1 THR 26 -3.888 -29.317 -29.317 184 1HG2 THR 26 HG22 THR 26 -1.747 -27.377 -27.377 185 2HG2 THR 26 HG21 THR 26 -3.471 -27.664 -27.664 186 3HG2 THR 26 HG23 THR 26 -2.285 -28.753 -28.753 187 H SER 27 HN SER 27 -0.859 -31.387 -31.387 188 HA SER 27 HA SER 27 -0.424 -31.332 -31.332 189 1HB SER 27 HB2 SER 27 -1.307 -33.669 -33.669 190 2HB SER 27 HB1 SER 27 -0.280 -33.704 -33.704 191 HG SER 27 HG SER 27 1.285 -32.549 -32.549 192 H SER 28 HN SER 28 -1.899 -31.828 -31.828 193 HA SER 28 HA SER 28 -4.678 -31.216 -31.216 194 1HB SER 28 HB2 SER 28 -3.305 -30.895 -30.895 195 2HB SER 28 HB1 SER 28 -3.331 -32.644 -32.644 196 HG SER 28 HG SER 28 -5.009 -31.761 -31.761 197 H GLU 29 HN GLU 29 -2.918 -34.026 -34.026 198 HA GLU 29 HA GLU 29 -4.901 -36.029 -36.029 199 1HB GLU 29 HB2 GLU 29 -2.311 -36.129 -36.129 200 2HB GLU 29 HB1 GLU 29 -2.814 -36.332 -36.332 201 1HG GLU 29 HG2 GLU 29 -2.741 -38.549 -38.549 202 2HG GLU 29 HG1 GLU 29 -4.433 -38.148 -38.148 203 H CYS 30 HN CYS 30 -4.519 -33.818 -33.818 204 HA CYS 30 HA CYS 30 -5.946 -35.337 -35.337 205 1HB CYS 30 HB2 CYS 30 -4.685 -32.740 -32.740 206 2HB CYS 30 HB1 CYS 30 -6.185 -32.595 -32.595 207 H SER 31 HN SER 31 -8.150 -35.222 -35.222 208 HA SER 31 HA SER 31 -10.063 -34.708 -34.708 209 1HB SER 31 HB2 SER 31 -10.640 -34.642 -34.642 210 2HB SER 31 HB1 SER 31 -11.614 -35.345 -35.345 211 HG SER 31 HG SER 31 -9.996 -36.634 -36.634 212 H LYS 32 HN LYS 32 -8.381 -32.559 -32.559 213 HA LYS 32 HA LYS 32 -10.104 -30.307 -30.307 214 1HB LYS 32 HB2 LYS 32 -10.590 -31.461 -31.461 215 2HB LYS 32 HB1 LYS 32 -9.297 -30.363 -30.363 216 1HG LYS 32 HG2 LYS 32 -10.523 -28.456 -28.456 217 2HG LYS 32 HG1 LYS 32 -11.780 -29.523 -29.523 218 1HD LYS 32 HD2 LYS 32 -11.140 -29.728 -29.728 219 2HD LYS 32 HD1 LYS 32 -12.013 -28.291 -28.291 220 1HE LYS 32 HE2 LYS 32 -13.723 -29.735 -29.735 221 2HE LYS 32 HE1 LYS 32 -12.852 -31.171 -31.171 222 1HZ LYS 32 HZ1 LYS 32 -13.811 -28.968 -28.968 223 2HZ LYS 32 HZ3 LYS 32 -14.629 -30.439 -30.439 224 3HZ LYS 32 HZ2 LYS 32 -13.088 -30.422 -30.422 225 HA PRO 33 HA PRO 33 -5.880 -28.902 -28.902 226 1HB PRO 33 HB2 PRO 33 -6.491 -26.568 -26.568 227 2HB PRO 33 HB1 PRO 33 -6.455 -28.143 -28.143 228 1HG PRO 33 HG2 PRO 33 -8.780 -26.566 -26.566 229 2HG PRO 33 HG1 PRO 33 -8.623 -27.542 -27.542 230 1HD PRO 33 HD2 PRO 33 -9.920 -28.375 -28.375 231 2HD PRO 33 HD1 PRO 33 -9.179 -29.479 -29.479 232 H GLY 34 HN GLY 34 -5.011 -26.399 -26.399 233 1HA GLY 34 HA2 GLY 34 -6.078 -24.498 -24.498 234 2HA GLY 34 HA1 GLY 34 -5.697 -25.773 -25.773 235 H VAL 35 HN VAL 35 -4.476 -23.035 -23.035 236 HA VAL 35 HA VAL 35 -1.677 -23.833 -23.833 237 HB VAL 35 HB VAL 35 -3.300 -21.300 -21.300 238 1HG1 VAL 35 HG11 VAL 35 -0.356 -21.555 -21.555 239 2HG1 VAL 35 HG13 VAL 35 -0.918 -20.252 -20.252 240 3HG1 VAL 35 HG12 VAL 35 -1.492 -20.355 -20.355 241 1HG2 VAL 35 HG22 VAL 35 -2.400 -23.077 -23.077 242 2HG2 VAL 35 HG21 VAL 35 -3.041 -21.460 -21.460 243 3HG2 VAL 35 HG23 VAL 35 -1.301 -21.705 -21.705 244 H ILE 36 HN ILE 36 -0.465 -24.374 -24.374 245 HA ILE 36 HA ILE 36 -1.209 -23.155 -23.155 246 HB ILE 36 HB ILE 36 0.228 -25.627 -25.627 247 1HG1 ILE 36 HG12 ILE 36 -2.059 -24.985 -24.985 248 2HG1 ILE 36 HG11 ILE 36 -2.115 -25.904 -25.904 249 1HG2 ILE 36 HG21 ILE 36 1.690 -24.545 -24.545 250 2HG2 ILE 36 HG23 ILE 36 0.324 -24.534 -24.534 251 3HG2 ILE 36 HG22 ILE 36 1.002 -26.067 -26.067 252 1HD1 ILE 36 HD12 ILE 36 -0.664 -27.640 -27.640 253 2HD1 ILE 36 HD11 ILE 36 -0.706 -26.734 -26.734 254 3HD1 ILE 36 HD13 ILE 36 -2.187 -27.439 -27.439 255 H PHE 37 HN PHE 37 0.137 -21.644 -21.644 256 HA PHE 37 HA PHE 37 2.617 -20.936 -20.936 257 1HB PHE 37 HB2 PHE 37 1.013 -19.697 -19.697 258 2HB PHE 37 HB1 PHE 37 2.500 -18.988 -18.988 259 HD1 PHE 37 HD1 PHE 37 -0.962 -20.002 -20.002 260 HD2 PHE 37 HD2 PHE 37 2.536 -17.802 -17.802 261 HE1 PHE 37 HE1 PHE 37 -2.241 -18.952 -18.952 262 HE2 PHE 37 HE2 PHE 37 1.258 -16.752 -16.752 263 HZ PHE 37 HZ PHE 37 -1.130 -17.327 -17.327 264 H LEU 38 HN LEU 38 4.671 -21.279 -21.279 265 HA LEU 38 HA LEU 38 4.818 -22.763 -22.763 266 1HB LEU 38 HB2 LEU 38 5.971 -23.067 -23.067 267 2HB LEU 38 HB1 LEU 38 7.282 -22.460 -22.460 268 HG LEU 38 HG LEU 38 5.631 -24.537 -24.537 269 1HD1 LEU 38 HD12 LEU 38 6.028 -25.033 -25.033 270 2HD1 LEU 38 HD11 LEU 38 7.557 -25.628 -25.628 271 3HD1 LEU 38 HD13 LEU 38 6.034 -26.304 -26.304 272 1HD2 LEU 38 HD22 LEU 38 8.333 -23.489 -23.489 273 2HD2 LEU 38 HD21 LEU 38 7.522 -24.469 -24.469 274 3HD2 LEU 38 HD23 LEU 38 8.350 -25.249 -25.249 275 H THR 39 HN THR 39 5.416 -21.562 -21.562 276 HA THR 39 HA THR 39 6.474 -18.838 -18.838 277 HB THR 39 HB THR 39 5.847 -18.565 -18.565 278 HG1 THR 39 HG1 THR 39 6.326 -20.110 -20.110 279 1HG2 THR 39 HG21 THR 39 4.027 -19.251 -19.251 280 2HG2 THR 39 HG23 THR 39 3.872 -20.680 -20.680 281 3HG2 THR 39 HG22 THR 39 3.586 -19.077 -19.077 282 H LYS 40 HN LYS 40 8.460 -18.121 -18.121 283 HA LYS 40 HA LYS 40 10.675 -19.945 -19.945 284 1HB LYS 40 HB2 LYS 40 10.191 -17.198 -17.198 285 2HB LYS 40 HB1 LYS 40 11.084 -17.450 -17.450 286 1HG LYS 40 HG2 LYS 40 12.620 -18.952 -18.952 287 2HG LYS 40 HG1 LYS 40 11.943 -17.941 -17.941 288 1HD LYS 40 HD2 LYS 40 12.801 -15.951 -15.951 289 2HD LYS 40 HD1 LYS 40 13.119 -16.748 -16.748 290 1HE LYS 40 HE2 LYS 40 14.952 -18.002 -18.002 291 2HE LYS 40 HE1 LYS 40 14.521 -17.518 -17.518 292 1HZ LYS 40 HZ1 LYS 40 14.927 -15.417 -15.417 293 2HZ LYS 40 HZ3 LYS 40 16.307 -16.186 -16.186 294 3HZ LYS 40 HZ2 LYS 40 15.240 -15.390 -15.390 295 H LYS 41 HN LYS 41 8.639 -18.733 -18.733 296 HA LYS 41 HA LYS 41 10.346 -19.524 -19.524 297 1HB LYS 41 HB2 LYS 41 8.100 -18.025 -18.025 298 2HB LYS 41 HB1 LYS 41 7.401 -19.493 -19.493 299 1HG LYS 41 HG2 LYS 41 9.803 -18.138 -18.138 300 2HG LYS 41 HG1 LYS 41 8.154 -17.686 -17.686 301 1HD LYS 41 HD2 LYS 41 8.029 -20.418 -20.418 302 2HD LYS 41 HD1 LYS 41 9.685 -20.111 -20.111 303 1HE LYS 41 HE2 LYS 41 9.012 -19.037 -19.037 304 2HE LYS 41 HE1 LYS 41 7.595 -18.314 -18.314 305 1HZ LYS 41 HZ1 LYS 41 6.793 -20.731 -20.731 306 2HZ LYS 41 HZ3 LYS 41 7.946 -21.073 -21.073 307 3HZ LYS 41 HZ2 LYS 41 6.686 -19.979 -19.979 308 H GLY 42 HN GLY 42 8.544 -21.345 -21.345 309 1HA GLY 42 HA2 GLY 42 8.638 -23.765 -23.765 310 2HA GLY 42 HA1 GLY 42 8.858 -23.756 -23.756 311 H ARG 43 HN ARG 43 6.412 -22.622 -22.622 312 HA ARG 43 HA ARG 43 4.319 -24.081 -24.081 313 1HB ARG 43 HB2 ARG 43 4.876 -21.504 -21.504 314 2HB ARG 43 HB1 ARG 43 3.724 -21.245 -21.245 315 1HG ARG 43 HG2 ARG 43 1.971 -22.159 -22.159 316 2HG ARG 43 HG1 ARG 43 3.007 -23.304 -23.304 317 1HD ARG 43 HD2 ARG 43 2.145 -21.567 -21.567 318 2HD ARG 43 HD1 ARG 43 3.905 -21.424 -21.424 319 HE ARG 43 HE ARG 43 2.614 -19.869 -19.869 320 1HH1 ARG 43 HH11 ARG 43 3.343 -19.971 -19.971 321 2HH1 ARG 43 HH12 ARG 43 3.235 -18.256 -18.256 322 1HH2 ARG 43 HH21 ARG 43 2.420 -17.633 -17.633 323 2HH2 ARG 43 HH22 ARG 43 2.715 -16.933 -16.933 324 H GLN 44 HN GLN 44 2.104 -23.624 -23.624 325 HA GLN 44 HA GLN 44 2.546 -23.166 -23.166 326 1HB GLN 44 HB2 GLN 44 1.214 -25.683 -25.683 327 2HB GLN 44 HB1 GLN 44 1.788 -25.332 -25.332 328 1HG GLN 44 HG2 GLN 44 4.129 -25.171 -25.171 329 2HG GLN 44 HG1 GLN 44 3.449 -25.853 -25.853 330 1HE2 GLN 44 HE21 GLN 44 1.502 -27.396 -27.396 331 2HE2 GLN 44 HE22 GLN 44 2.445 -28.723 -28.723 332 H VAL 45 HN VAL 45 0.798 -22.153 -22.153 333 HA VAL 45 HA VAL 45 -1.740 -22.074 -22.074 334 HB VAL 45 HB VAL 45 -0.689 -20.117 -20.117 335 1HG1 VAL 45 HG12 VAL 45 -2.830 -19.926 -19.926 336 2HG1 VAL 45 HG11 VAL 45 -2.306 -18.588 -18.588 337 3HG1 VAL 45 HG13 VAL 45 -3.102 -19.987 -19.987 338 1HG2 VAL 45 HG23 VAL 45 0.130 -20.592 -20.592 339 2HG2 VAL 45 HG22 VAL 45 0.832 -19.507 -19.507 340 3HG2 VAL 45 HG21 VAL 45 -0.520 -18.965 -18.965 341 H CYS 46 HN CYS 46 -3.718 -21.748 -21.748 342 HA CYS 46 HA CYS 46 -3.337 -23.137 -23.137 343 1HB CYS 46 HB2 CYS 46 -5.421 -23.736 -23.736 344 2HB CYS 46 HB1 CYS 46 -5.280 -24.552 -24.552 345 H ALA 47 HN ALA 47 -4.198 -21.800 -21.800 346 HA ALA 47 HA ALA 47 -6.666 -20.248 -20.248 347 1HB ALA 47 HB2 ALA 47 -4.162 -19.208 -19.208 348 2HB ALA 47 HB1 ALA 47 -4.738 -19.078 -19.078 349 3HB ALA 47 HB3 ALA 47 -5.632 -18.303 -18.303 350 H LYS 48 HN LYS 48 -7.967 -19.657 -19.657 351 HA LYS 48 HA LYS 48 -8.533 -21.744 -21.744 352 1HB LYS 48 HB2 LYS 48 -9.235 -18.973 -18.973 353 2HB LYS 48 HB1 LYS 48 -9.174 -19.297 -19.297 354 1HG LYS 48 HG2 LYS 48 -11.210 -20.244 -20.244 355 2HG LYS 48 HG1 LYS 48 -10.451 -21.536 -21.536 356 1HD LYS 48 HD2 LYS 48 -12.252 -20.609 -20.609 357 2HD LYS 48 HD1 LYS 48 -10.724 -20.112 -20.112 358 1HE LYS 48 HE2 LYS 48 -11.069 -18.028 -18.028 359 2HE LYS 48 HE1 LYS 48 -12.770 -18.465 -18.465 360 1HZ LYS 48 HZ3 LYS 48 -11.801 -18.739 -18.739 361 2HZ LYS 48 HZ2 LYS 48 -10.805 -17.482 -17.482 362 3HZ LYS 48 HZ1 LYS 48 -12.493 -17.297 -17.297 363 HA PRO 49 HA PRO 49 -5.694 -21.392 -21.392 364 1HB PRO 49 HB2 PRO 49 -7.249 -21.204 -21.204 365 2HB PRO 49 HB1 PRO 49 -7.093 -22.697 -22.697 366 1HG PRO 49 HG2 PRO 49 -9.284 -20.682 -20.682 367 2HG PRO 49 HG1 PRO 49 -9.374 -22.443 -22.443 368 1HD PRO 49 HD2 PRO 49 -9.616 -20.715 -20.715 369 2HD PRO 49 HD1 PRO 49 -9.068 -22.397 -22.397 370 H SER 50 HN SER 50 -8.330 -19.009 -19.009 371 HA SER 50 HA SER 50 -6.271 -16.991 -16.991 372 1HB SER 50 HB2 SER 50 -9.029 -17.657 -17.657 373 2HB SER 50 HB1 SER 50 -8.349 -16.049 -16.049 374 HG SER 50 HG SER 50 -6.746 -18.248 -18.248 375 H GLY 51 HN GLY 51 -7.190 -17.500 -17.500 376 1HA GLY 51 HA2 GLY 51 -9.292 -15.795 -15.795 377 2HA GLY 51 HA1 GLY 51 -7.929 -16.271 -16.271 378 HA PRO 52 HA PRO 52 -7.699 -11.773 -11.773 379 1HB PRO 52 HB2 PRO 52 -8.945 -10.445 -10.445 380 2HB PRO 52 HB1 PRO 52 -9.787 -10.970 -10.970 381 1HG PRO 52 HG2 PRO 52 -9.686 -12.258 -12.258 382 2HG PRO 52 HG1 PRO 52 -11.062 -12.048 -12.048 383 1HD PRO 52 HD2 PRO 52 -9.724 -14.391 -14.391 384 2HD PRO 52 HD1 PRO 52 -10.474 -13.866 -13.866 385 H GLY 53 HN GLY 53 -5.529 -11.597 -11.597 386 1HA GLY 53 HA2 GLY 53 -3.959 -10.491 -10.491 387 2HA GLY 53 HA1 GLY 53 -4.795 -11.330 -11.330 388 H VAL 54 HN VAL 54 -5.005 -13.837 -13.837 389 HA VAL 54 HA VAL 54 -2.611 -15.142 -15.142 390 HB VAL 54 HB VAL 54 -4.737 -15.835 -15.835 391 1HG1 VAL 54 HG12 VAL 54 -2.459 -17.079 -17.079 392 2HG1 VAL 54 HG11 VAL 54 -2.947 -17.812 -17.812 393 3HG1 VAL 54 HG13 VAL 54 -3.928 -18.049 -18.049 394 1HG2 VAL 54 HG23 VAL 54 -5.079 -15.468 -15.468 395 2HG2 VAL 54 HG22 VAL 54 -5.965 -16.695 -16.695 396 3HG2 VAL 54 HG21 VAL 54 -4.533 -17.144 -17.144 397 H GLN 55 HN GLN 55 -3.602 -13.876 -13.876 398 HA GLN 55 HA GLN 55 -1.275 -14.813 -14.813 399 1HB GLN 55 HB2 GLN 55 -3.698 -13.419 -13.419 400 2HB GLN 55 HB1 GLN 55 -2.406 -12.350 -12.350 401 1HG GLN 55 HG2 GLN 55 -2.157 -15.219 -15.219 402 2HG GLN 55 HG1 GLN 55 -3.434 -14.305 -14.305 403 1HE2 GLN 55 HE21 GLN 55 -0.328 -15.218 -15.218 404 2HE2 GLN 55 HE22 GLN 55 0.245 -13.880 -13.880 405 H ASP 56 HN ASP 56 -1.928 -12.100 -12.100 406 HA ASP 56 HA ASP 56 0.295 -10.435 -10.435 407 1HB ASP 56 HB2 ASP 56 -1.822 -9.871 -9.871 408 2HB ASP 56 HB1 ASP 56 -1.002 -10.613 -10.613 409 H CYS 57 HN CYS 57 -0.167 -13.000 -13.000 410 HA CYS 57 HA CYS 57 2.411 -12.769 -12.769 411 1HB CYS 57 HB2 CYS 57 0.444 -15.044 -15.044 412 2HB CYS 57 HB1 CYS 57 1.881 -15.186 -15.186 413 H MET 58 HN MET 58 1.219 -14.826 -14.826 414 HA MET 58 HA MET 58 3.775 -16.084 -16.084 415 1HB MET 58 HB2 MET 58 1.497 -15.652 -15.652 416 2HB MET 58 HB1 MET 58 2.645 -16.990 -16.990 417 1HG MET 58 HG2 MET 58 1.627 -17.200 -17.200 418 2HG MET 58 HG1 MET 58 0.231 -16.501 -16.501 419 1HE MET 58 HE1 MET 58 0.518 -17.137 -17.137 420 2HE MET 58 HE3 MET 58 0.240 -18.805 -18.805 421 3HE MET 58 HE2 MET 58 -1.005 -17.937 -17.937 422 H LYS 59 HN LYS 59 2.311 -13.059 -13.059 423 HA LYS 59 HA LYS 59 3.963 -12.548 -12.548 424 1HB LYS 59 HB2 LYS 59 1.843 -11.374 -11.374 425 2HB LYS 59 HB1 LYS 59 2.688 -10.644 -10.644 426 1HG LYS 59 HG2 LYS 59 4.230 -10.247 -10.247 427 2HG LYS 59 HG1 LYS 59 2.578 -9.691 -9.691 428 1HD LYS 59 HD2 LYS 59 2.715 -8.380 -8.380 429 2HD LYS 59 HD1 LYS 59 4.402 -8.872 -8.872 430 1HE LYS 59 HE2 LYS 59 4.212 -6.625 -6.625 431 2HE LYS 59 HE1 LYS 59 4.913 -7.801 -7.801 432 1HZ LYS 59 HZ3 LYS 59 1.990 -7.350 -7.350 433 2HZ LYS 59 HZ2 LYS 59 2.968 -6.415 -6.415 434 3HZ LYS 59 HZ1 LYS 59 2.862 -8.096 -8.096 435 H LYS 60 HN LYS 60 4.302 -11.961 -11.961 436 HA LYS 60 HA LYS 60 6.758 -10.446 -10.446 437 1HB LYS 60 HB2 LYS 60 4.861 -11.317 -11.317 438 2HB LYS 60 HB1 LYS 60 6.410 -11.979 -11.979 439 1HG LYS 60 HG2 LYS 60 5.959 -9.680 -9.680 440 2HG LYS 60 HG1 LYS 60 7.431 -9.775 -9.775 441 1HD LYS 60 HD2 LYS 60 6.628 -8.267 -8.267 442 2HD LYS 60 HD1 LYS 60 5.163 -9.220 -9.220 443 1HE LYS 60 HE2 LYS 60 5.501 -7.529 -7.529 444 2HE LYS 60 HE1 LYS 60 4.885 -6.823 -6.823 445 1HZ LYS 60 HZ2 LYS 60 3.834 -9.323 -9.323 446 2HZ LYS 60 HZ1 LYS 60 3.126 -7.796 -7.796 447 3HZ LYS 60 HZ3 LYS 60 3.182 -8.479 -8.479 448 H LEU 61 HN LEU 61 5.978 -13.908 -13.908 449 HA LEU 61 HA LEU 61 8.769 -14.696 -14.696 450 1HB LEU 61 HB2 LEU 61 6.288 -16.290 -16.290 451 2HB LEU 61 HB1 LEU 61 7.790 -16.946 -16.946 452 HG LEU 61 HG LEU 61 5.750 -15.199 -15.199 453 1HD1 LEU 61 HD12 LEU 61 6.519 -17.959 -17.959 454 2HD1 LEU 61 HD11 LEU 61 6.888 -17.251 -17.251 455 3HD1 LEU 61 HD13 LEU 61 5.249 -17.164 -17.164 456 1HD2 LEU 61 HD21 LEU 61 8.679 -15.560 -15.560 457 2HD2 LEU 61 HD23 LEU 61 7.756 -14.060 -14.060 458 3HD2 LEU 61 HD22 LEU 61 7.495 -15.174 -15.174 459 H LYS 62 HN LYS 62 7.233 -13.497 -13.497 460 HA LYS 62 HA LYS 62 9.095 -14.936 -14.936 461 1HB LYS 62 HB2 LYS 62 6.467 -15.670 -15.670 462 2HB LYS 62 HB1 LYS 62 6.364 -14.504 -14.504 463 1HG LYS 62 HG2 LYS 62 8.582 -15.954 -15.954 464 2HG LYS 62 HG1 LYS 62 7.584 -17.190 -17.190 465 1HD LYS 62 HD2 LYS 62 5.678 -16.517 -16.517 466 2HD LYS 62 HD1 LYS 62 6.719 -15.335 -15.335 467 1HE LYS 62 HE2 LYS 62 7.585 -16.942 -16.942 468 2HE LYS 62 HE1 LYS 62 7.997 -17.948 -17.948 469 1HZ LYS 62 HZ3 LYS 62 5.560 -18.478 -18.478 470 2HZ LYS 62 HZ2 LYS 62 5.378 -17.745 -17.745 471 3HZ LYS 62 HZ1 LYS 62 6.353 -19.125 -19.125 472 HA PRO 63 HA PRO 63 9.100 -10.463 -10.463 473 1HB PRO 63 HB2 PRO 63 11.739 -10.378 -10.378 474 2HB PRO 63 HB1 PRO 63 11.193 -10.288 -10.288 475 1HG PRO 63 HG2 PRO 63 12.320 -12.589 -12.589 476 2HG PRO 63 HG1 PRO 63 12.555 -12.128 -12.128 477 1HD PRO 63 HD2 PRO 63 10.873 -14.131 -14.131 478 2HD PRO 63 HD1 PRO 63 10.690 -13.250 -13.250 479 H TYR 64 HN TYR 64 7.729 -11.062 -11.062 480 HA TYR 64 HA TYR 64 9.132 -10.690 -10.690 481 1HB TYR 64 HB2 TYR 64 8.649 -13.339 -13.339 482 2HB TYR 64 HB1 TYR 64 7.763 -13.121 -13.121 483 HD1 TYR 64 HD1 TYR 64 9.444 -11.310 -11.310 484 HD2 TYR 64 HD2 TYR 64 10.581 -14.579 -14.579 485 HE1 TYR 64 HE1 TYR 64 11.552 -11.572 -11.572 486 HE2 TYR 64 HE2 TYR 64 12.690 -14.840 -14.840 487 HH TYR 64 HH TYR 64 13.225 -13.286 -13.286 488 H SER 65 HN SER 65 6.928 -9.428 -9.428 489 HA SER 65 HA SER 65 4.513 -10.154 -10.154 490 1HB SER 65 HB2 SER 65 4.700 -7.944 -7.944 491 2HB SER 65 HB1 SER 65 3.356 -9.037 -9.037 492 HG SER 65 HG SER 65 4.562 -9.480 -9.480 493 H ILE 66 HN ILE 66 5.239 -9.320 -9.320 494 HA ILE 66 HA ILE 66 5.614 -6.351 -6.351 495 HB ILE 66 HB ILE 66 6.223 -8.533 -8.533 496 1HG1 ILE 66 HG12 ILE 66 7.521 -8.640 -8.640 497 2HG1 ILE 66 HG11 ILE 66 8.511 -8.402 -8.402 498 1HG2 ILE 66 HG21 ILE 66 7.028 -5.612 -5.612 499 2HG2 ILE 66 HG23 ILE 66 7.624 -6.761 -6.761 500 3HG2 ILE 66 HG22 ILE 66 5.916 -6.319 -6.319 501 1HD1 ILE 66 HD11 ILE 66 7.623 -5.850 -5.850 502 2HD1 ILE 66 HD13 ILE 66 8.442 -6.769 -6.769 503 3HD1 ILE 66 HD12 ILE 66 9.268 -6.429 -6.429 Start of MODEL 20 1 1H HIS 1 HT2 HIS 1 11.332 -34.305 -34.305 2 2H HIS 1 HT1 HIS 1 12.701 -33.358 -33.358 3 3H HIS 1 HT3 HIS 1 11.174 -32.628 -32.628 4 HA HIS 1 HA HIS 1 12.445 -32.202 -32.202 5 1HB HIS 1 HB2 HIS 1 13.280 -34.826 -34.826 6 2HB HIS 1 HB1 HIS 1 12.438 -34.948 -34.948 7 HD1 HIS 1 HD1 HIS 1 14.402 -31.919 -31.919 8 HD2 HIS 1 HD2 HIS 1 14.707 -34.993 -34.993 9 HE1 HIS 1 HE1 HIS 1 16.366 -31.339 -31.339 10 H PHE 2 HN PHE 2 9.623 -33.198 -33.198 11 HA PHE 2 HA PHE 2 8.350 -33.350 -33.350 12 1HB PHE 2 HB2 PHE 2 6.647 -34.813 -34.813 13 2HB PHE 2 HB1 PHE 2 8.252 -35.524 -35.524 14 HD1 PHE 2 HD1 PHE 2 9.850 -35.488 -35.488 15 HD2 PHE 2 HD2 PHE 2 5.747 -34.277 -34.277 16 HE1 PHE 2 HE1 PHE 2 10.024 -35.705 -35.705 17 HE2 PHE 2 HE2 PHE 2 5.922 -34.496 -34.496 18 HZ PHE 2 HZ PHE 2 8.060 -35.209 -35.209 19 H ALA 3 HN ALA 3 7.589 -31.222 -31.222 20 HA ALA 3 HA ALA 3 6.376 -29.896 -29.896 21 1HB ALA 3 HB1 ALA 3 6.869 -29.205 -29.205 22 2HB ALA 3 HB3 ALA 3 6.026 -28.108 -28.108 23 3HB ALA 3 HB2 ALA 3 7.698 -28.566 -28.566 24 H ALA 4 HN ALA 4 5.285 -32.161 -32.161 25 HA ALA 4 HA ALA 4 2.727 -31.201 -31.201 26 1HB ALA 4 HB3 ALA 4 4.263 -33.650 -33.650 27 2HB ALA 4 HB2 ALA 4 2.585 -33.984 -33.984 28 3HB ALA 4 HB1 ALA 4 2.964 -33.203 -33.203 29 H ASP 5 HN ASP 5 0.712 -31.233 -31.233 30 HA ASP 5 HA ASP 5 0.192 -32.631 -32.631 31 1HB ASP 5 HB2 ASP 5 1.707 -30.221 -30.221 32 2HB ASP 5 HB1 ASP 5 0.109 -29.867 -29.867 33 H CYS 6 HN CYS 6 -1.837 -31.371 -31.371 34 HA CYS 6 HA CYS 6 -3.569 -30.188 -30.188 35 1HB CYS 6 HB2 CYS 6 -4.571 -32.394 -32.394 36 2HB CYS 6 HB1 CYS 6 -5.220 -31.858 -31.858 37 H CYS 7 HN CYS 7 -5.194 -28.804 -28.804 38 HA CYS 7 HA CYS 7 -4.724 -27.983 -27.983 39 1HB CYS 7 HB2 CYS 7 -5.738 -26.854 -26.854 40 2HB CYS 7 HB1 CYS 7 -6.686 -26.377 -26.377 41 H THR 8 HN THR 8 -6.224 -28.251 -28.251 42 HA THR 8 HA THR 8 -8.670 -29.846 -29.846 43 HB THR 8 HB THR 8 -6.909 -30.622 -30.622 44 HG1 THR 8 HG1 THR 8 -8.574 -31.618 -31.618 45 1HG2 THR 8 HG21 THR 8 -6.705 -28.130 -28.130 46 2HG2 THR 8 HG23 THR 8 -8.028 -28.589 -28.589 47 3HG2 THR 8 HG22 THR 8 -6.494 -29.457 -29.457 48 H SER 9 HN SER 9 -7.891 -26.706 -26.706 49 HA SER 9 HA SER 9 -10.542 -25.734 -25.734 50 1HB SER 9 HB2 SER 9 -9.143 -26.498 -26.498 51 2HB SER 9 HB1 SER 9 -9.005 -24.741 -24.741 52 HG SER 9 HG SER 9 -11.369 -26.296 -26.296 53 H TYR 10 HN TYR 10 -9.861 -23.192 -23.192 54 HA TYR 10 HA TYR 10 -7.582 -22.174 -22.174 55 1HB TYR 10 HB2 TYR 10 -10.493 -21.401 -21.401 56 2HB TYR 10 HB1 TYR 10 -9.134 -20.518 -20.518 57 HD1 TYR 10 HD1 TYR 10 -7.293 -22.253 -22.253 58 HD2 TYR 10 HD2 TYR 10 -11.524 -22.915 -22.915 59 HE1 TYR 10 HE1 TYR 10 -7.183 -23.888 -23.888 60 HE2 TYR 10 HE2 TYR 10 -11.415 -24.550 -24.550 61 HH TYR 10 HH TYR 10 -9.617 -26.059 -26.059 62 H ILE 11 HN ILE 11 -6.986 -19.989 -19.989 63 HA ILE 11 HA ILE 11 -7.211 -19.484 -19.484 64 HB ILE 11 HB ILE 11 -5.983 -17.508 -17.508 65 1HG1 ILE 11 HG12 ILE 11 -7.707 -16.639 -16.639 66 2HG1 ILE 11 HG11 ILE 11 -6.034 -16.357 -16.357 67 1HG2 ILE 11 HG23 ILE 11 -4.992 -19.767 -19.767 68 2HG2 ILE 11 HG22 ILE 11 -5.321 -19.197 -19.197 69 3HG2 ILE 11 HG21 ILE 11 -4.238 -18.284 -18.284 70 1HD1 ILE 11 HD12 ILE 11 -6.146 -18.464 -18.464 71 2HD1 ILE 11 HD11 ILE 11 -7.871 -18.546 -18.546 72 3HD1 ILE 11 HD13 ILE 11 -7.229 -17.189 -17.189 73 H SER 12 HN SER 12 -8.208 -17.481 -17.481 74 HA SER 12 HA SER 12 -10.944 -17.059 -17.059 75 1HB SER 12 HB2 SER 12 -10.801 -15.924 -15.924 76 2HB SER 12 HB1 SER 12 -11.344 -17.565 -17.565 77 HG SER 12 HG SER 12 -9.316 -16.894 -16.894 78 H GLN 13 HN GLN 13 -7.980 -15.596 -15.596 79 HA GLN 13 HA GLN 13 -9.208 -12.934 -12.934 80 1HB GLN 13 HB2 GLN 13 -7.285 -11.960 -11.960 81 2HB GLN 13 HB1 GLN 13 -8.544 -12.786 -12.786 82 1HG GLN 13 HG2 GLN 13 -7.146 -14.861 -14.861 83 2HG GLN 13 HG1 GLN 13 -5.869 -13.945 -13.945 84 1HE2 GLN 13 HE21 GLN 13 -4.311 -13.308 -13.308 85 2HE2 GLN 13 HE22 GLN 13 -4.621 -12.826 -12.826 86 H SER 14 HN SER 14 -7.077 -11.460 -11.460 87 HA SER 14 HA SER 14 -6.168 -12.450 -12.450 88 1HB SER 14 HB2 SER 14 -4.884 -10.389 -10.389 89 2HB SER 14 HB1 SER 14 -4.732 -10.478 -10.478 90 HG SER 14 HG SER 14 -6.306 -8.984 -8.984 91 H ILE 15 HN ILE 15 -4.160 -13.383 -13.383 92 HA ILE 15 HA ILE 15 -2.900 -15.152 -15.152 93 HB ILE 15 HB ILE 15 -2.273 -14.212 -14.212 94 1HG1 ILE 15 HG12 ILE 15 -4.358 -15.554 -15.554 95 2HG1 ILE 15 HG11 ILE 15 -3.205 -16.358 -16.358 96 1HG2 ILE 15 HG22 ILE 15 -0.210 -14.966 -14.966 97 2HG2 ILE 15 HG21 ILE 15 -1.010 -16.487 -16.487 98 3HG2 ILE 15 HG23 ILE 15 -0.687 -16.074 -16.074 99 1HD1 ILE 15 HD11 ILE 15 -2.333 -17.639 -17.639 100 2HD1 ILE 15 HD13 ILE 15 -3.534 -16.861 -16.861 101 3HD1 ILE 15 HD12 ILE 15 -4.052 -17.940 -17.940 102 HA PRO 16 HA PRO 16 -0.024 -12.141 -12.141 103 1HB PRO 16 HB2 PRO 16 1.351 -13.828 -13.828 104 2HB PRO 16 HB1 PRO 16 -0.260 -13.198 -13.198 105 1HG PRO 16 HG2 PRO 16 0.549 -15.880 -15.880 106 2HG PRO 16 HG1 PRO 16 -0.799 -15.409 -15.409 107 1HD PRO 16 HD2 PRO 16 -0.968 -16.043 -16.043 108 2HD PRO 16 HD1 PRO 16 -2.209 -15.215 -15.215 109 H CYS 17 HN CYS 17 0.903 -12.309 -12.309 110 HA CYS 17 HA CYS 17 3.106 -14.030 -14.030 111 1HB CYS 17 HB2 CYS 17 1.661 -11.825 -11.825 112 2HB CYS 17 HB1 CYS 17 3.380 -11.448 -11.448 113 H SER 18 HN SER 18 2.851 -11.198 -11.198 114 HA SER 18 HA SER 18 5.581 -10.318 -10.318 115 1HB SER 18 HB2 SER 18 3.929 -8.851 -8.851 116 2HB SER 18 HB1 SER 18 3.264 -10.081 -10.081 117 HG SER 18 HG SER 18 4.483 -8.861 -8.861 118 H LEU 19 HN LEU 19 4.402 -13.252 -13.252 119 HA LEU 19 HA LEU 19 6.762 -13.584 -13.584 120 1HB LEU 19 HB2 LEU 19 3.846 -14.257 -14.257 121 2HB LEU 19 HB1 LEU 19 5.100 -15.115 -15.115 122 HG LEU 19 HG LEU 19 5.143 -12.112 -12.112 123 1HD1 LEU 19 HD13 LEU 19 2.816 -13.181 -13.181 124 2HD1 LEU 19 HD12 LEU 19 3.664 -13.536 -13.536 125 3HD1 LEU 19 HD11 LEU 19 3.507 -11.868 -11.868 126 1HD2 LEU 19 HD22 LEU 19 5.920 -14.206 -14.206 127 2HD2 LEU 19 HD21 LEU 19 7.029 -13.345 -13.345 128 3HD2 LEU 19 HD23 LEU 19 6.150 -12.467 -12.467 129 H MET 20 HN MET 20 5.221 -14.586 -14.586 130 HA MET 20 HA MET 20 5.915 -17.465 -17.465 131 1HB MET 20 HB2 MET 20 4.757 -16.033 -16.033 132 2HB MET 20 HB1 MET 20 4.619 -17.740 -17.740 133 1HG MET 20 HG2 MET 20 3.564 -15.837 -15.837 134 2HG MET 20 HG1 MET 20 2.671 -15.935 -15.935 135 1HE MET 20 HE1 MET 20 0.834 -16.693 -16.693 136 2HE MET 20 HE3 MET 20 0.316 -18.353 -18.353 137 3HE MET 20 HE2 MET 20 0.476 -17.208 -17.208 138 H LYS 21 HN LYS 21 7.646 -18.387 -18.387 139 HA LYS 21 HA LYS 21 9.574 -16.549 -16.549 140 1HB LYS 21 HB2 LYS 21 10.518 -18.004 -18.004 141 2HB LYS 21 HB1 LYS 21 9.578 -19.382 -19.382 142 1HG LYS 21 HG2 LYS 21 10.879 -19.538 -19.538 143 2HG LYS 21 HG1 LYS 21 11.671 -17.995 -17.995 144 1HD LYS 21 HD2 LYS 21 13.280 -19.073 -19.073 145 2HD LYS 21 HD1 LYS 21 12.065 -19.653 -19.653 146 1HE LYS 21 HE2 LYS 21 12.209 -21.071 -21.071 147 2HE LYS 21 HE1 LYS 21 13.540 -21.352 -21.352 148 1HZ LYS 21 HZ2 LYS 21 11.814 -21.680 -21.680 149 2HZ LYS 21 HZ1 LYS 21 10.627 -21.632 -21.632 150 3HZ LYS 21 HZ3 LYS 21 11.785 -22.871 -22.871 151 H SER 22 HN SER 22 7.445 -19.272 -19.272 152 HA SER 22 HA SER 22 7.827 -18.697 -18.697 153 1HB SER 22 HB2 SER 22 9.445 -20.508 -20.508 154 2HB SER 22 HB1 SER 22 8.045 -21.548 -21.548 155 HG SER 22 HG SER 22 8.291 -21.391 -21.391 156 H TYR 23 HN TYR 23 6.341 -20.421 -20.421 157 HA TYR 23 HA TYR 23 3.915 -21.142 -21.142 158 1HB TYR 23 HB2 TYR 23 2.494 -19.751 -19.751 159 2HB TYR 23 HB1 TYR 23 3.798 -18.733 -18.733 160 HD1 TYR 23 HD1 TYR 23 2.744 -20.779 -20.779 161 HD2 TYR 23 HD2 TYR 23 5.300 -17.653 -17.653 162 HE1 TYR 23 HE1 TYR 23 3.443 -20.263 -20.263 163 HE2 TYR 23 HE2 TYR 23 6.000 -17.137 -17.137 164 HH TYR 23 HH TYR 23 4.801 -19.063 -19.063 165 H PHE 24 HN PHE 24 2.602 -22.740 -22.740 166 HA PHE 24 HA PHE 24 3.631 -23.601 -23.601 167 1HB PHE 24 HB2 PHE 24 4.293 -25.727 -25.727 168 2HB PHE 24 HB1 PHE 24 4.800 -24.706 -24.706 169 HD1 PHE 24 HD1 PHE 24 1.954 -26.847 -26.847 170 HD2 PHE 24 HD2 PHE 24 3.996 -25.103 -25.103 171 HE1 PHE 24 HE1 PHE 24 0.537 -28.163 -28.163 172 HE2 PHE 24 HE2 PHE 24 2.574 -26.424 -26.424 173 HZ PHE 24 HZ PHE 24 0.845 -27.952 -27.952 174 H GLU 25 HN GLU 25 2.042 -24.557 -24.557 175 HA GLU 25 HA GLU 25 -0.721 -24.490 -24.490 176 1HB GLU 25 HB2 GLU 25 -1.311 -24.608 -24.608 177 2HB GLU 25 HB1 GLU 25 -0.002 -23.442 -23.442 178 1HG GLU 25 HG2 GLU 25 1.433 -25.719 -25.719 179 2HG GLU 25 HG1 GLU 25 -0.002 -26.100 -26.100 180 H THR 26 HN THR 26 -2.028 -26.368 -26.368 181 HA THR 26 HA THR 26 -0.647 -28.898 -28.898 182 HB THR 26 HB THR 26 -2.948 -29.691 -29.691 183 HG1 THR 26 HG1 THR 26 -4.181 -28.672 -28.672 184 1HG2 THR 26 HG22 THR 26 -1.904 -27.141 -27.141 185 2HG2 THR 26 HG21 THR 26 -3.540 -27.625 -27.625 186 3HG2 THR 26 HG23 THR 26 -2.181 -28.694 -28.694 187 H SER 27 HN SER 27 -2.199 -30.807 -30.807 188 HA SER 27 HA SER 27 -1.922 -30.241 -30.241 189 1HB SER 27 HB2 SER 27 -1.658 -32.865 -32.865 190 2HB SER 27 HB1 SER 27 -1.251 -32.572 -32.572 191 HG SER 27 HG SER 27 0.112 -30.795 -30.795 192 H SER 28 HN SER 28 -3.430 -31.582 -31.582 193 HA SER 28 HA SER 28 -6.153 -31.351 -31.351 194 1HB SER 28 HB2 SER 28 -6.197 -31.335 -31.335 195 2HB SER 28 HB1 SER 28 -4.620 -32.120 -32.120 196 HG SER 28 HG SER 28 -5.560 -33.972 -33.972 197 H GLU 29 HN GLU 29 -3.777 -33.736 -33.736 198 HA GLU 29 HA GLU 29 -5.503 -36.065 -36.065 199 1HB GLU 29 HB2 GLU 29 -2.843 -35.618 -35.618 200 2HB GLU 29 HB1 GLU 29 -2.958 -35.861 -35.861 201 1HG GLU 29 HG2 GLU 29 -3.562 -38.068 -38.068 202 2HG GLU 29 HG1 GLU 29 -4.429 -37.794 -37.794 203 H CYS 30 HN CYS 30 -4.756 -33.379 -33.379 204 HA CYS 30 HA CYS 30 -5.311 -34.611 -34.611 205 1HB CYS 30 HB2 CYS 30 -5.124 -31.832 -31.832 206 2HB CYS 30 HB1 CYS 30 -5.574 -32.080 -32.080 207 H SER 31 HN SER 31 -7.297 -34.701 -34.701 208 HA SER 31 HA SER 31 -9.738 -34.738 -34.738 209 1HB SER 31 HB2 SER 31 -9.038 -35.784 -35.784 210 2HB SER 31 HB1 SER 31 -9.486 -34.229 -34.229 211 HG SER 31 HG SER 31 -11.500 -34.725 -34.725 212 H LYS 32 HN LYS 32 -7.920 -32.135 -32.135 213 HA LYS 32 HA LYS 32 -10.021 -30.212 -30.212 214 1HB LYS 32 HB2 LYS 32 -9.954 -31.029 -31.029 215 2HB LYS 32 HB1 LYS 32 -8.777 -29.719 -29.719 216 1HG LYS 32 HG2 LYS 32 -10.408 -28.167 -28.167 217 2HG LYS 32 HG1 LYS 32 -11.582 -29.473 -29.473 218 1HD LYS 32 HD2 LYS 32 -11.386 -29.794 -29.794 219 2HD LYS 32 HD1 LYS 32 -10.463 -28.291 -28.291 220 1HE LYS 32 HE2 LYS 32 -12.813 -27.778 -27.778 221 2HE LYS 32 HE1 LYS 32 -12.413 -27.160 -27.160 222 1HZ LYS 32 HZ1 LYS 32 -13.328 -29.942 -29.942 223 2HZ LYS 32 HZ3 LYS 32 -14.482 -28.700 -28.700 224 3HZ LYS 32 HZ2 LYS 32 -13.487 -28.896 -28.896 225 HA PRO 33 HA PRO 33 -6.142 -28.473 -28.473 226 1HB PRO 33 HB2 PRO 33 -7.222 -26.312 -26.312 227 2HB PRO 33 HB1 PRO 33 -7.196 -27.941 -27.941 228 1HG PRO 33 HG2 PRO 33 -9.416 -26.484 -26.484 229 2HG PRO 33 HG1 PRO 33 -9.467 -27.557 -27.557 230 1HD PRO 33 HD2 PRO 33 -10.198 -28.319 -28.319 231 2HD PRO 33 HD1 PRO 33 -9.583 -29.445 -29.445 232 H GLY 34 HN GLY 34 -5.322 -26.019 -26.019 233 1HA GLY 34 HA2 GLY 34 -5.965 -23.885 -23.885 234 2HA GLY 34 HA1 GLY 34 -5.913 -25.018 -25.018 235 H VAL 35 HN VAL 35 -4.180 -22.680 -22.680 236 HA VAL 35 HA VAL 35 -1.539 -24.028 -24.028 237 HB VAL 35 HB VAL 35 -1.815 -22.207 -22.207 238 1HG1 VAL 35 HG12 VAL 35 -3.108 -20.849 -20.849 239 2HG1 VAL 35 HG11 VAL 35 -2.528 -19.916 -19.916 240 3HG1 VAL 35 HG13 VAL 35 -3.779 -21.138 -21.138 241 1HG2 VAL 35 HG21 VAL 35 0.311 -22.142 -22.142 242 2HG2 VAL 35 HG23 VAL 35 -0.192 -20.557 -20.557 243 3HG2 VAL 35 HG22 VAL 35 -0.459 -20.998 -20.998 244 H ILE 36 HN ILE 36 -0.278 -24.344 -24.344 245 HA ILE 36 HA ILE 36 -1.083 -22.984 -22.984 246 HB ILE 36 HB ILE 36 0.368 -25.514 -25.514 247 1HG1 ILE 36 HG12 ILE 36 -2.057 -24.783 -24.783 248 2HG1 ILE 36 HG11 ILE 36 -1.992 -25.768 -25.768 249 1HG2 ILE 36 HG22 ILE 36 0.339 -24.161 -24.161 250 2HG2 ILE 36 HG21 ILE 36 0.815 -25.838 -25.838 251 3HG2 ILE 36 HG23 ILE 36 1.761 -24.530 -24.530 252 1HD1 ILE 36 HD11 ILE 36 -0.414 -27.305 -27.305 253 2HD1 ILE 36 HD13 ILE 36 -1.132 -26.474 -26.474 254 3HD1 ILE 36 HD12 ILE 36 -2.155 -27.389 -27.389 255 H PHE 37 HN PHE 37 0.309 -21.538 -21.538 256 HA PHE 37 HA PHE 37 2.849 -20.925 -20.925 257 1HB PHE 37 HB2 PHE 37 1.244 -19.564 -19.564 258 2HB PHE 37 HB1 PHE 37 2.735 -18.909 -18.909 259 HD1 PHE 37 HD1 PHE 37 -0.609 -20.221 -20.221 260 HD2 PHE 37 HD2 PHE 37 2.615 -17.485 -17.485 261 HE1 PHE 37 HE1 PHE 37 -1.896 -19.221 -19.221 262 HE2 PHE 37 HE2 PHE 37 1.325 -16.486 -16.486 263 HZ PHE 37 HZ PHE 37 -0.933 -17.349 -17.349 264 H LEU 38 HN LEU 38 4.843 -21.374 -21.374 265 HA LEU 38 HA LEU 38 4.841 -22.831 -22.831 266 1HB LEU 38 HB2 LEU 38 6.232 -22.941 -22.941 267 2HB LEU 38 HB1 LEU 38 7.408 -22.696 -22.696 268 HG LEU 38 HG LEU 38 5.286 -24.689 -24.689 269 1HD1 LEU 38 HD12 LEU 38 7.011 -24.826 -24.826 270 2HD1 LEU 38 HD11 LEU 38 7.121 -26.242 -26.242 271 3HD1 LEU 38 HD13 LEU 38 5.559 -25.748 -25.748 272 1HD2 LEU 38 HD21 LEU 38 8.255 -24.374 -24.374 273 2HD2 LEU 38 HD23 LEU 38 6.972 -24.480 -24.480 274 3HD2 LEU 38 HD22 LEU 38 7.450 -25.915 -25.915 275 H THR 39 HN THR 39 5.326 -21.643 -21.643 276 HA THR 39 HA THR 39 6.585 -18.985 -18.985 277 HB THR 39 HB THR 39 5.755 -18.646 -18.646 278 HG1 THR 39 HG1 THR 39 6.463 -20.240 -20.240 279 1HG2 THR 39 HG21 THR 39 4.063 -19.562 -19.562 280 2HG2 THR 39 HG23 THR 39 3.736 -20.712 -20.712 281 3HG2 THR 39 HG22 THR 39 3.529 -18.983 -18.983 282 H LYS 40 HN LYS 40 8.597 -18.443 -18.443 283 HA LYS 40 HA LYS 40 10.604 -20.497 -20.497 284 1HB LYS 40 HB2 LYS 40 10.807 -18.004 -18.004 285 2HB LYS 40 HB1 LYS 40 10.709 -17.717 -17.717 286 1HG LYS 40 HG2 LYS 40 12.724 -18.909 -18.909 287 2HG LYS 40 HG1 LYS 40 12.710 -19.647 -19.647 288 1HD LYS 40 HD2 LYS 40 13.362 -17.654 -17.654 289 2HD LYS 40 HD1 LYS 40 12.843 -16.654 -16.654 290 1HE LYS 40 HE2 LYS 40 14.809 -16.977 -16.977 291 2HE LYS 40 HE1 LYS 40 14.965 -18.656 -18.656 292 1HZ LYS 40 HZ3 LYS 40 15.242 -17.552 -17.552 293 2HZ LYS 40 HZ2 LYS 40 15.647 -16.160 -16.160 294 3HZ LYS 40 HZ1 LYS 40 16.569 -17.577 -17.577 295 H LYS 41 HN LYS 41 8.476 -19.069 -19.069 296 HA LYS 41 HA LYS 41 9.965 -19.829 -19.829 297 1HB LYS 41 HB2 LYS 41 7.927 -18.196 -18.196 298 2HB LYS 41 HB1 LYS 41 6.976 -19.626 -19.626 299 1HG LYS 41 HG2 LYS 41 7.281 -19.100 -19.100 300 2HG LYS 41 HG1 LYS 41 8.977 -19.530 -19.530 301 1HD LYS 41 HD2 LYS 41 9.511 -17.381 -17.381 302 2HD LYS 41 HD1 LYS 41 8.699 -16.945 -16.945 303 1HE LYS 41 HE2 LYS 41 7.014 -17.395 -17.395 304 2HE LYS 41 HE1 LYS 41 7.903 -15.868 -15.868 305 1HZ LYS 41 HZ2 LYS 41 7.018 -15.767 -15.767 306 2HZ LYS 41 HZ1 LYS 41 5.989 -17.061 -17.061 307 3HZ LYS 41 HZ3 LYS 41 5.838 -15.582 -15.582 308 H GLY 42 HN GLY 42 8.451 -21.716 -21.716 309 1HA GLY 42 HA2 GLY 42 8.377 -24.113 -24.113 310 2HA GLY 42 HA1 GLY 42 8.493 -24.058 -24.058 311 H ARG 43 HN ARG 43 6.230 -22.816 -22.816 312 HA ARG 43 HA ARG 43 4.003 -24.213 -24.213 313 1HB ARG 43 HB2 ARG 43 4.704 -21.568 -21.568 314 2HB ARG 43 HB1 ARG 43 3.377 -21.421 -21.421 315 1HG ARG 43 HG2 ARG 43 2.493 -21.504 -21.504 316 2HG ARG 43 HG1 ARG 43 2.019 -22.958 -22.958 317 1HD ARG 43 HD2 ARG 43 3.646 -24.294 -24.294 318 2HD ARG 43 HD1 ARG 43 4.509 -22.866 -22.866 319 HE ARG 43 HE ARG 43 1.840 -22.665 -22.665 320 1HH1 ARG 43 HH11 ARG 43 4.863 -23.507 -23.507 321 2HH1 ARG 43 HH12 ARG 43 4.340 -24.555 -24.555 322 1HH2 ARG 43 HH21 ARG 43 1.021 -24.559 -24.559 323 2HH2 ARG 43 HH22 ARG 43 2.164 -25.151 -25.151 324 H GLN 44 HN GLN 44 1.888 -23.710 -23.710 325 HA GLN 44 HA GLN 44 2.483 -23.171 -23.171 326 1HB GLN 44 HB2 GLN 44 1.394 -25.329 -25.329 327 2HB GLN 44 HB1 GLN 44 2.864 -25.568 -25.568 328 1HG GLN 44 HG2 GLN 44 1.144 -25.453 -25.453 329 2HG GLN 44 HG1 GLN 44 0.008 -25.978 -25.978 330 1HE2 GLN 44 HE21 GLN 44 3.391 -26.813 -26.813 331 2HE2 GLN 44 HE22 GLN 44 3.161 -28.490 -28.490 332 H VAL 45 HN VAL 45 0.816 -22.064 -22.064 333 HA VAL 45 HA VAL 45 -1.778 -21.922 -21.922 334 HB VAL 45 HB VAL 45 -0.269 -20.066 -20.066 335 1HG1 VAL 45 HG11 VAL 45 -2.732 -20.129 -20.129 336 2HG1 VAL 45 HG13 VAL 45 -3.054 -19.636 -19.636 337 3HG1 VAL 45 HG12 VAL 45 -2.167 -18.563 -18.563 338 1HG2 VAL 45 HG22 VAL 45 0.143 -20.249 -20.249 339 2HG2 VAL 45 HG21 VAL 45 -0.133 -18.642 -18.642 340 3HG2 VAL 45 HG23 VAL 45 -1.437 -19.484 -19.484 341 H CYS 46 HN CYS 46 -3.753 -21.954 -21.954 342 HA CYS 46 HA CYS 46 -3.323 -23.404 -23.404 343 1HB CYS 46 HB2 CYS 46 -4.893 -23.901 -23.901 344 2HB CYS 46 HB1 CYS 46 -5.946 -23.799 -23.799 345 H ALA 47 HN ALA 47 -4.098 -22.348 -22.348 346 HA ALA 47 HA ALA 47 -6.158 -20.212 -20.212 347 1HB ALA 47 HB3 ALA 47 -3.470 -20.195 -20.195 348 2HB ALA 47 HB2 ALA 47 -4.736 -19.260 -19.260 349 3HB ALA 47 HB1 ALA 47 -4.305 -18.911 -18.911 350 H LYS 48 HN LYS 48 -7.576 -19.863 -19.863 351 HA LYS 48 HA LYS 48 -8.422 -22.169 -22.169 352 1HB LYS 48 HB2 LYS 48 -8.973 -19.283 -19.283 353 2HB LYS 48 HB1 LYS 48 -9.333 -19.966 -19.966 354 1HG LYS 48 HG2 LYS 48 -10.647 -21.775 -21.775 355 2HG LYS 48 HG1 LYS 48 -10.389 -20.924 -20.924 356 1HD LYS 48 HD2 LYS 48 -12.221 -19.696 -19.696 357 2HD LYS 48 HD1 LYS 48 -11.301 -18.957 -18.957 358 1HE LYS 48 HE2 LYS 48 -13.236 -19.841 -19.841 359 2HE LYS 48 HE1 LYS 48 -11.991 -21.069 -21.069 360 1HZ LYS 48 HZ1 LYS 48 -13.630 -21.141 -21.141 361 2HZ LYS 48 HZ3 LYS 48 -14.229 -21.809 -21.809 362 3HZ LYS 48 HZ2 LYS 48 -12.793 -22.410 -22.410 363 HA PRO 49 HA PRO 49 -5.933 -22.190 -22.190 364 1HB PRO 49 HB2 PRO 49 -7.728 -22.353 -22.353 365 2HB PRO 49 HB1 PRO 49 -7.388 -23.704 -23.704 366 1HG PRO 49 HG2 PRO 49 -9.669 -21.782 -21.782 367 2HG PRO 49 HG1 PRO 49 -9.663 -23.521 -23.521 368 1HD PRO 49 HD2 PRO 49 -9.766 -21.616 -21.616 369 2HD PRO 49 HD1 PRO 49 -9.061 -23.229 -23.229 370 H SER 50 HN SER 50 -8.598 -19.860 -19.860 371 HA SER 50 HA SER 50 -6.801 -17.953 -17.953 372 1HB SER 50 HB2 SER 50 -9.798 -18.123 -18.123 373 2HB SER 50 HB1 SER 50 -8.610 -17.370 -17.370 374 HG SER 50 HG SER 50 -9.034 -19.280 -19.280 375 H GLY 51 HN GLY 51 -7.352 -18.246 -18.246 376 1HA GLY 51 HA2 GLY 51 -9.303 -16.513 -16.513 377 2HA GLY 51 HA1 GLY 51 -7.748 -16.799 -16.799 378 HA PRO 52 HA PRO 52 -8.082 -12.590 -12.590 379 1HB PRO 52 HB2 PRO 52 -9.496 -11.039 -11.039 380 2HB PRO 52 HB1 PRO 52 -10.251 -11.900 -11.900 381 1HG PRO 52 HG2 PRO 52 -10.097 -12.661 -12.661 382 2HG PRO 52 HG1 PRO 52 -11.457 -12.790 -12.790 383 1HD PRO 52 HD2 PRO 52 -9.905 -14.907 -14.907 384 2HD PRO 52 HD1 PRO 52 -10.668 -14.749 -14.749 385 H GLY 53 HN GLY 53 -5.840 -12.725 -12.725 386 1HA GLY 53 HA2 GLY 53 -4.442 -10.977 -10.977 387 2HA GLY 53 HA1 GLY 53 -5.246 -11.623 -11.623 388 H VAL 54 HN VAL 54 -5.225 -14.379 -14.379 389 HA VAL 54 HA VAL 54 -2.746 -15.310 -15.310 390 HB VAL 54 HB VAL 54 -4.823 -16.537 -16.537 391 1HG1 VAL 54 HG12 VAL 54 -2.394 -17.586 -17.586 392 2HG1 VAL 54 HG11 VAL 54 -3.025 -18.161 -18.161 393 3HG1 VAL 54 HG13 VAL 54 -3.826 -18.614 -18.614 394 1HG2 VAL 54 HG23 VAL 54 -4.976 -15.711 -15.711 395 2HG2 VAL 54 HG22 VAL 54 -6.057 -16.861 -16.861 396 3HG2 VAL 54 HG21 VAL 54 -4.661 -17.442 -17.442 397 H GLN 55 HN GLN 55 -3.806 -14.783 -14.783 398 HA GLN 55 HA GLN 55 -1.416 -15.833 -15.833 399 1HB GLN 55 HB2 GLN 55 -3.918 -14.736 -14.736 400 2HB GLN 55 HB1 GLN 55 -2.701 -13.708 -13.708 401 1HG GLN 55 HG2 GLN 55 -2.920 -16.724 -16.724 402 2HG GLN 55 HG1 GLN 55 -3.233 -15.543 -15.543 403 1HE2 GLN 55 HE21 GLN 55 -0.739 -17.344 -17.344 404 2HE2 GLN 55 HE22 GLN 55 0.576 -16.696 -16.696 405 H ASP 56 HN ASP 56 -2.415 -12.572 -12.572 406 HA ASP 56 HA ASP 56 -0.063 -11.217 -11.217 407 1HB ASP 56 HB2 ASP 56 -1.987 -9.920 -9.920 408 2HB ASP 56 HB1 ASP 56 -2.166 -10.709 -10.709 409 H CYS 57 HN CYS 57 -0.827 -13.122 -13.122 410 HA CYS 57 HA CYS 57 1.403 -12.326 -12.326 411 1HB CYS 57 HB2 CYS 57 -0.695 -13.513 -13.513 412 2HB CYS 57 HB1 CYS 57 -0.125 -14.950 -14.950 413 H MET 58 HN MET 58 0.880 -15.139 -15.139 414 HA MET 58 HA MET 58 3.551 -16.183 -16.183 415 1HB MET 58 HB2 MET 58 1.608 -16.435 -16.435 416 2HB MET 58 HB1 MET 58 2.867 -17.579 -17.579 417 1HG MET 58 HG2 MET 58 1.608 -18.484 -18.484 418 2HG MET 58 HG1 MET 58 0.956 -16.920 -16.920 419 1HE MET 58 HE1 MET 58 1.264 -18.600 -18.600 420 2HE MET 58 HE3 MET 58 0.567 -19.990 -19.990 421 3HE MET 58 HE2 MET 58 -0.348 -19.173 -19.173 422 H LYS 59 HN LYS 59 2.135 -13.636 -13.636 423 HA LYS 59 HA LYS 59 4.150 -13.497 -13.497 424 1HB LYS 59 HB2 LYS 59 1.750 -12.368 -12.368 425 2HB LYS 59 HB1 LYS 59 2.765 -11.057 -11.057 426 1HG LYS 59 HG2 LYS 59 3.936 -10.906 -10.906 427 2HG LYS 59 HG1 LYS 59 3.147 -12.365 -12.365 428 1HD LYS 59 HD2 LYS 59 0.956 -11.226 -11.226 429 2HD LYS 59 HD1 LYS 59 1.750 -9.766 -9.766 430 1HE LYS 59 HE2 LYS 59 2.169 -9.145 -9.145 431 2HE LYS 59 HE1 LYS 59 3.092 -10.638 -10.638 432 1HZ LYS 59 HZ1 LYS 59 0.927 -11.798 -11.798 433 2HZ LYS 59 HZ3 LYS 59 0.144 -10.295 -10.295 434 3HZ LYS 59 HZ2 LYS 59 1.215 -10.651 -10.651 435 H LYS 60 HN LYS 60 3.763 -11.890 -11.890 436 HA LYS 60 HA LYS 60 6.177 -10.319 -10.319 437 1HB LYS 60 HB2 LYS 60 3.998 -10.882 -10.882 438 2HB LYS 60 HB1 LYS 60 5.523 -10.925 -10.925 439 1HG LYS 60 HG2 LYS 60 4.711 -8.674 -8.674 440 2HG LYS 60 HG1 LYS 60 4.482 -8.635 -8.635 441 1HD LYS 60 HD2 LYS 60 6.972 -9.083 -9.083 442 2HD LYS 60 HD1 LYS 60 7.100 -8.806 -8.806 443 1HE LYS 60 HE2 LYS 60 5.576 -6.645 -6.645 444 2HE LYS 60 HE1 LYS 60 6.956 -6.848 -6.848 445 1HZ LYS 60 HZ2 LYS 60 8.335 -7.110 -7.110 446 2HZ LYS 60 HZ1 LYS 60 6.994 -6.538 -6.538 447 3HZ LYS 60 HZ3 LYS 60 7.737 -5.545 -5.545 448 H LEU 61 HN LEU 61 5.450 -13.631 -13.631 449 HA LEU 61 HA LEU 61 7.971 -14.119 -14.119 450 1HB LEU 61 HB2 LEU 61 5.832 -15.878 -15.878 451 2HB LEU 61 HB1 LEU 61 7.183 -16.513 -16.513 452 HG LEU 61 HG LEU 61 4.957 -14.698 -14.698 453 1HD1 LEU 61 HD13 LEU 61 5.928 -17.480 -17.480 454 2HD1 LEU 61 HD12 LEU 61 5.074 -16.579 -16.579 455 3HD1 LEU 61 HD11 LEU 61 4.284 -16.915 -16.915 456 1HD2 LEU 61 HD22 LEU 61 7.715 -15.137 -15.137 457 2HD2 LEU 61 HD21 LEU 61 6.742 -13.665 -13.665 458 3HD2 LEU 61 HD23 LEU 61 6.370 -14.949 -14.949 459 H LYS 62 HN LYS 62 7.328 -13.501 -13.501 460 HA LYS 62 HA LYS 62 9.911 -14.659 -14.659 461 1HB LYS 62 HB2 LYS 62 7.429 -16.012 -16.012 462 2HB LYS 62 HB1 LYS 62 7.939 -15.458 -15.458 463 1HG LYS 62 HG2 LYS 62 10.298 -16.386 -16.386 464 2HG LYS 62 HG1 LYS 62 9.246 -17.410 -17.410 465 1HD LYS 62 HD2 LYS 62 8.835 -18.707 -18.707 466 2HD LYS 62 HD1 LYS 62 8.179 -17.315 -17.315 467 1HE LYS 62 HE2 LYS 62 10.008 -18.121 -18.121 468 2HE LYS 62 HE1 LYS 62 10.629 -16.684 -16.684 469 1HZ LYS 62 HZ1 LYS 62 11.246 -18.327 -18.327 470 2HZ LYS 62 HZ3 LYS 62 11.044 -19.538 -19.538 471 3HZ LYS 62 HZ2 LYS 62 12.214 -18.326 -18.326 472 HA PRO 63 HA PRO 63 8.569 -10.803 -10.803 473 1HB PRO 63 HB2 PRO 63 10.436 -9.118 -9.118 474 2HB PRO 63 HB1 PRO 63 8.860 -9.414 -9.414 475 1HG PRO 63 HG2 PRO 63 11.539 -10.408 -10.408 476 2HG PRO 63 HG1 PRO 63 10.124 -10.103 -10.103 477 1HD PRO 63 HD2 PRO 63 11.024 -12.604 -12.604 478 2HD PRO 63 HD1 PRO 63 9.460 -12.261 -12.261 479 H TYR 64 HN TYR 64 9.788 -12.588 -12.588 480 HA TYR 64 HA TYR 64 11.767 -11.201 -11.201 481 1HB TYR 64 HB2 TYR 64 12.672 -12.451 -12.451 482 2HB TYR 64 HB1 TYR 64 13.322 -13.369 -13.369 483 HD1 TYR 64 HD1 TYR 64 14.113 -11.759 -11.759 484 HD2 TYR 64 HD2 TYR 64 13.961 -10.670 -10.670 485 HE1 TYR 64 HE1 TYR 64 15.779 -9.968 -9.968 486 HE2 TYR 64 HE2 TYR 64 15.626 -8.878 -8.878 487 HH TYR 64 HH TYR 64 16.751 -8.130 -8.130 488 H SER 65 HN SER 65 9.907 -12.242 -12.242 489 HA SER 65 HA SER 65 9.274 -13.840 -13.840 490 1HB SER 65 HB2 SER 65 11.935 -15.164 -15.164 491 2HB SER 65 HB1 SER 65 11.096 -14.819 -14.819 492 HG SER 65 HG SER 65 11.906 -12.874 -12.874 493 H ILE 66 HN ILE 66 8.092 -15.730 -15.730 494 HA ILE 66 HA ILE 66 8.803 -17.639 -17.639 495 HB ILE 66 HB ILE 66 7.015 -16.070 -16.070 496 1HG1 ILE 66 HG12 ILE 66 7.030 -18.560 -18.560 497 2HG1 ILE 66 HG11 ILE 66 5.506 -17.700 -17.700 498 1HG2 ILE 66 HG21 ILE 66 6.208 -15.634 -15.634 499 2HG2 ILE 66 HG23 ILE 66 5.450 -17.227 -17.227 500 3HG2 ILE 66 HG22 ILE 66 4.907 -15.983 -15.983 501 1HD1 ILE 66 HD13 ILE 66 5.567 -18.681 -18.681 502 2HD1 ILE 66 HD12 ILE 66 6.052 -20.006 -20.006 503 3HD1 ILE 66 HD11 ILE 66 4.511 -19.190 -19.190 Start of MODEL 21 1 1H HIS 1 HT3 HIS 1 -3.073 -42.881 -42.881 2 2H HIS 1 HT2 HIS 1 -3.008 -44.525 -44.525 3 3H HIS 1 HT1 HIS 1 -3.448 -43.365 -43.365 4 HA HIS 1 HA HIS 1 -1.243 -43.792 -43.792 5 1HB HIS 1 HB2 HIS 1 -1.083 -44.097 -44.097 6 2HB HIS 1 HB1 HIS 1 0.392 -43.876 -43.876 7 HD1 HIS 1 HD1 HIS 1 -2.039 -46.417 -46.417 8 HD2 HIS 1 HD2 HIS 1 0.690 -45.949 -45.949 9 HE1 HIS 1 HE1 HIS 1 -1.729 -48.710 -48.710 10 H PHE 2 HN PHE 2 -0.592 -41.873 -41.873 11 HA PHE 2 HA PHE 2 -1.047 -39.283 -39.283 12 1HB PHE 2 HB2 PHE 2 0.096 -40.494 -40.494 13 2HB PHE 2 HB1 PHE 2 1.466 -39.650 -39.650 14 HD1 PHE 2 HD1 PHE 2 1.190 -37.167 -37.167 15 HD2 PHE 2 HD2 PHE 2 -1.554 -39.313 -39.313 16 HE1 PHE 2 HE1 PHE 2 0.347 -35.020 -35.020 17 HE2 PHE 2 HE2 PHE 2 -2.398 -37.167 -37.167 18 HZ PHE 2 HZ PHE 2 -1.447 -35.021 -35.021 19 H ALA 3 HN ALA 3 0.505 -37.733 -37.733 20 HA ALA 3 HA ALA 3 2.962 -38.734 -38.734 21 1HB ALA 3 HB1 ALA 3 0.395 -38.886 -38.886 22 2HB ALA 3 HB3 ALA 3 1.446 -37.778 -37.778 23 3HB ALA 3 HB2 ALA 3 1.963 -39.438 -39.438 24 H ALA 4 HN ALA 4 0.752 -36.263 -36.263 25 HA ALA 4 HA ALA 4 2.853 -34.212 -34.212 26 1HB ALA 4 HB2 ALA 4 0.802 -34.814 -34.814 27 2HB ALA 4 HB1 ALA 4 0.585 -33.171 -33.171 28 3HB ALA 4 HB3 ALA 4 2.122 -33.650 -33.650 29 H ASP 5 HN ASP 5 1.617 -31.914 -31.914 30 HA ASP 5 HA ASP 5 0.102 -32.290 -32.290 31 1HB ASP 5 HB2 ASP 5 1.905 -30.196 -30.196 32 2HB ASP 5 HB1 ASP 5 0.805 -29.758 -29.758 33 H CYS 6 HN CYS 6 -2.062 -32.446 -32.446 34 HA CYS 6 HA CYS 6 -3.088 -30.441 -30.441 35 1HB CYS 6 HB2 CYS 6 -3.950 -33.028 -33.028 36 2HB CYS 6 HB1 CYS 6 -5.219 -31.932 -31.932 37 H CYS 7 HN CYS 7 -4.826 -28.989 -28.989 38 HA CYS 7 HA CYS 7 -4.761 -28.139 -28.139 39 1HB CYS 7 HB2 CYS 7 -5.449 -27.059 -27.059 40 2HB CYS 7 HB1 CYS 7 -6.456 -26.464 -26.464 41 H THR 8 HN THR 8 -6.510 -28.329 -28.329 42 HA THR 8 HA THR 8 -8.833 -29.943 -29.943 43 HB THR 8 HB THR 8 -9.125 -29.707 -29.707 44 HG1 THR 8 HG1 THR 8 -7.078 -29.604 -29.604 45 1HG2 THR 8 HG23 THR 8 -7.543 -31.544 -31.544 46 2HG2 THR 8 HG22 THR 8 -7.357 -31.712 -31.712 47 3HG2 THR 8 HG21 THR 8 -8.951 -31.883 -31.883 48 H SER 9 HN SER 9 -7.901 -26.752 -26.752 49 HA SER 9 HA SER 9 -10.613 -25.728 -25.728 50 1HB SER 9 HB2 SER 9 -10.019 -26.461 -26.461 51 2HB SER 9 HB1 SER 9 -9.393 -24.813 -24.813 52 HG SER 9 HG SER 9 -11.448 -24.465 -24.465 53 H TYR 10 HN TYR 10 -9.945 -23.158 -23.158 54 HA TYR 10 HA TYR 10 -7.435 -22.321 -22.321 55 1HB TYR 10 HB2 TYR 10 -10.191 -21.215 -21.215 56 2HB TYR 10 HB1 TYR 10 -8.673 -20.596 -20.596 57 HD1 TYR 10 HD1 TYR 10 -7.087 -22.560 -22.560 58 HD2 TYR 10 HD2 TYR 10 -11.370 -22.701 -22.701 59 HE1 TYR 10 HE1 TYR 10 -7.154 -24.280 -24.280 60 HE2 TYR 10 HE2 TYR 10 -11.439 -24.418 -24.418 61 HH TYR 10 HH TYR 10 -10.094 -25.224 -25.224 62 H ILE 11 HN ILE 11 -6.944 -19.998 -19.998 63 HA ILE 11 HA ILE 11 -7.227 -19.509 -19.509 64 HB ILE 11 HB ILE 11 -5.941 -17.568 -17.568 65 1HG1 ILE 11 HG12 ILE 11 -7.608 -16.657 -16.657 66 2HG1 ILE 11 HG11 ILE 11 -5.915 -16.404 -16.404 67 1HG2 ILE 11 HG23 ILE 11 -4.966 -19.833 -19.833 68 2HG2 ILE 11 HG22 ILE 11 -5.266 -19.279 -19.279 69 3HG2 ILE 11 HG21 ILE 11 -4.183 -18.370 -18.370 70 1HD1 ILE 11 HD13 ILE 11 -6.043 -18.527 -18.527 71 2HD1 ILE 11 HD12 ILE 11 -7.787 -18.509 -18.509 72 3HD1 ILE 11 HD11 ILE 11 -7.014 -17.188 -17.188 73 H SER 12 HN SER 12 -8.260 -17.457 -17.457 74 HA SER 12 HA SER 12 -11.011 -17.221 -17.221 75 1HB SER 12 HB2 SER 12 -10.948 -15.769 -15.769 76 2HB SER 12 HB1 SER 12 -11.160 -17.516 -17.516 77 HG SER 12 HG SER 12 -9.056 -16.001 -16.001 78 H GLN 13 HN GLN 13 -8.146 -15.606 -15.606 79 HA GLN 13 HA GLN 13 -9.563 -13.198 -13.198 80 1HB GLN 13 HB2 GLN 13 -7.825 -11.813 -11.813 81 2HB GLN 13 HB1 GLN 13 -9.180 -12.507 -12.507 82 1HG GLN 13 HG2 GLN 13 -7.789 -14.403 -14.403 83 2HG GLN 13 HG1 GLN 13 -6.439 -13.784 -13.784 84 1HE2 GLN 13 HE21 GLN 13 -8.739 -12.127 -12.127 85 2HE2 GLN 13 HE22 GLN 13 -7.526 -11.458 -11.458 86 H SER 14 HN SER 14 -7.815 -11.685 -11.685 87 HA SER 14 HA SER 14 -6.484 -12.906 -12.906 88 1HB SER 14 HB2 SER 14 -6.757 -10.389 -10.389 89 2HB SER 14 HB1 SER 14 -5.076 -10.661 -10.661 90 HG SER 14 HG SER 14 -5.239 -9.835 -9.835 91 H ILE 15 HN ILE 15 -4.378 -13.796 -13.796 92 HA ILE 15 HA ILE 15 -3.221 -15.184 -15.184 93 HB ILE 15 HB ILE 15 -2.400 -14.699 -14.699 94 1HG1 ILE 15 HG12 ILE 15 -4.444 -16.113 -16.113 95 2HG1 ILE 15 HG11 ILE 15 -3.213 -16.914 -16.914 96 1HG2 ILE 15 HG21 ILE 15 -0.446 -15.110 -15.110 97 2HG2 ILE 15 HG23 ILE 15 -1.152 -16.693 -16.693 98 3HG2 ILE 15 HG22 ILE 15 -0.620 -16.281 -16.281 99 1HD1 ILE 15 HD11 ILE 15 -3.248 -17.100 -17.100 100 2HD1 ILE 15 HD13 ILE 15 -4.118 -18.245 -18.245 101 3HD1 ILE 15 HD12 ILE 15 -2.363 -18.114 -18.114 102 HA PRO 16 HA PRO 16 -0.481 -11.929 -11.929 103 1HB PRO 16 HB2 PRO 16 1.043 -13.418 -13.418 104 2HB PRO 16 HB1 PRO 16 -0.598 -12.882 -12.882 105 1HG PRO 16 HG2 PRO 16 0.364 -15.544 -15.544 106 2HG PRO 16 HG1 PRO 16 -0.910 -15.142 -15.142 107 1HD PRO 16 HD2 PRO 16 -1.348 -15.917 -15.917 108 2HD PRO 16 HD1 PRO 16 -2.495 -14.979 -14.979 109 H CYS 17 HN CYS 17 0.520 -11.820 -11.820 110 HA CYS 17 HA CYS 17 2.510 -13.600 -13.600 111 1HB CYS 17 HB2 CYS 17 2.362 -10.588 -10.588 112 2HB CYS 17 HB1 CYS 17 3.034 -11.749 -11.749 113 H SER 18 HN SER 18 2.677 -10.937 -10.937 114 HA SER 18 HA SER 18 5.540 -10.649 -10.649 115 1HB SER 18 HB2 SER 18 3.563 -9.184 -9.184 116 2HB SER 18 HB1 SER 18 3.739 -10.163 -10.163 117 HG SER 18 HG SER 18 5.087 -8.464 -8.464 118 H LEU 19 HN LEU 19 3.420 -12.985 -12.985 119 HA LEU 19 HA LEU 19 5.543 -13.961 -13.961 120 1HB LEU 19 HB2 LEU 19 2.699 -13.698 -13.698 121 2HB LEU 19 HB1 LEU 19 3.086 -15.414 -15.414 122 HG LEU 19 HG LEU 19 4.710 -13.511 -13.511 123 1HD1 LEU 19 HD12 LEU 19 1.948 -13.281 -13.281 124 2HD1 LEU 19 HD11 LEU 19 2.284 -14.422 -14.422 125 3HD1 LEU 19 HD13 LEU 19 3.043 -12.829 -12.829 126 1HD2 LEU 19 HD22 LEU 19 3.516 -16.266 -16.266 127 2HD2 LEU 19 HD21 LEU 19 5.199 -15.899 -15.899 128 3HD2 LEU 19 HD23 LEU 19 4.523 -15.418 -15.418 129 H MET 20 HN MET 20 5.576 -14.408 -14.408 130 HA MET 20 HA MET 20 5.808 -17.389 -17.389 131 1HB MET 20 HB2 MET 20 4.593 -16.062 -16.062 132 2HB MET 20 HB1 MET 20 4.428 -17.729 -17.729 133 1HG MET 20 HG2 MET 20 3.324 -15.477 -15.477 134 2HG MET 20 HG1 MET 20 2.414 -16.109 -16.109 135 1HE MET 20 HE1 MET 20 0.687 -16.710 -16.710 136 2HE MET 20 HE3 MET 20 0.512 -18.466 -18.466 137 3HE MET 20 HE2 MET 20 0.296 -17.470 -17.470 138 H LYS 21 HN LYS 21 7.570 -18.157 -18.157 139 HA LYS 21 HA LYS 21 9.331 -16.176 -16.176 140 1HB LYS 21 HB2 LYS 21 10.440 -17.505 -17.505 141 2HB LYS 21 HB1 LYS 21 9.583 -18.966 -18.966 142 1HG LYS 21 HG2 LYS 21 11.974 -18.908 -18.908 143 2HG LYS 21 HG1 LYS 21 10.817 -19.053 -19.053 144 1HD LYS 21 HD2 LYS 21 11.615 -17.161 -17.161 145 2HD LYS 21 HD1 LYS 21 11.209 -16.270 -16.270 146 1HE LYS 21 HE2 LYS 21 13.368 -16.885 -16.885 147 2HE LYS 21 HE1 LYS 21 13.773 -17.854 -17.854 148 1HZ LYS 21 HZ1 LYS 21 12.875 -15.108 -15.108 149 2HZ LYS 21 HZ3 LYS 21 14.431 -15.299 -15.299 150 3HZ LYS 21 HZ2 LYS 21 14.036 -16.015 -16.015 151 H SER 22 HN SER 22 7.478 -19.131 -19.131 152 HA SER 22 HA SER 22 7.796 -18.581 -18.581 153 1HB SER 22 HB2 SER 22 9.615 -20.088 -20.088 154 2HB SER 22 HB1 SER 22 8.513 -21.145 -21.145 155 HG SER 22 HG SER 22 7.755 -21.923 -21.923 156 H TYR 23 HN TYR 23 6.397 -20.400 -20.400 157 HA TYR 23 HA TYR 23 4.014 -21.212 -21.212 158 1HB TYR 23 HB2 TYR 23 2.513 -19.920 -19.920 159 2HB TYR 23 HB1 TYR 23 3.800 -18.818 -18.818 160 HD1 TYR 23 HD1 TYR 23 2.385 -20.781 -20.781 161 HD2 TYR 23 HD2 TYR 23 5.461 -18.028 -18.028 162 HE1 TYR 23 HE1 TYR 23 2.919 -20.348 -20.348 163 HE2 TYR 23 HE2 TYR 23 5.995 -17.596 -17.596 164 HH TYR 23 HH TYR 23 5.075 -17.793 -17.793 165 H PHE 24 HN PHE 24 2.743 -22.865 -22.865 166 HA PHE 24 HA PHE 24 3.858 -23.743 -23.743 167 1HB PHE 24 HB2 PHE 24 4.588 -25.827 -25.827 168 2HB PHE 24 HB1 PHE 24 5.045 -24.747 -24.747 169 HD1 PHE 24 HD1 PHE 24 2.276 -27.018 -27.018 170 HD2 PHE 24 HD2 PHE 24 4.268 -25.131 -25.131 171 HE1 PHE 24 HE1 PHE 24 0.912 -28.348 -28.348 172 HE2 PHE 24 HE2 PHE 24 2.897 -26.462 -26.462 173 HZ PHE 24 HZ PHE 24 1.221 -28.072 -28.072 174 H GLU 25 HN GLU 25 2.390 -24.973 -24.973 175 HA GLU 25 HA GLU 25 -0.427 -24.856 -24.856 176 1HB GLU 25 HB2 GLU 25 -0.873 -25.319 -25.319 177 2HB GLU 25 HB1 GLU 25 0.390 -24.091 -24.091 178 1HG GLU 25 HG2 GLU 25 2.104 -25.883 -25.883 179 2HG GLU 25 HG1 GLU 25 0.807 -27.065 -27.065 180 H THR 26 HN THR 26 -1.740 -26.766 -26.766 181 HA THR 26 HA THR 26 -0.271 -29.190 -29.190 182 HB THR 26 HB THR 26 -2.516 -29.939 -29.939 183 HG1 THR 26 HG1 THR 26 -4.296 -28.705 -28.705 184 1HG2 THR 26 HG22 THR 26 -1.526 -27.217 -27.217 185 2HG2 THR 26 HG21 THR 26 -3.168 -27.608 -27.608 186 3HG2 THR 26 HG23 THR 26 -1.815 -28.601 -28.601 187 H SER 27 HN SER 27 -1.712 -31.287 -31.287 188 HA SER 27 HA SER 27 -1.239 -31.343 -31.343 189 1HB SER 27 HB2 SER 27 -2.005 -33.543 -33.543 190 2HB SER 27 HB1 SER 27 -1.282 -33.741 -33.741 191 HG SER 27 HG SER 27 0.011 -33.601 -33.601 192 H SER 28 HN SER 28 -2.898 -31.736 -31.736 193 HA SER 28 HA SER 28 -5.603 -31.048 -31.048 194 1HB SER 28 HB2 SER 28 -6.008 -31.359 -31.359 195 2HB SER 28 HB1 SER 28 -4.356 -30.756 -30.756 196 HG SER 28 HG SER 28 -5.283 -33.325 -33.325 197 H GLU 29 HN GLU 29 -3.896 -33.902 -33.902 198 HA GLU 29 HA GLU 29 -5.940 -35.856 -35.856 199 1HB GLU 29 HB2 GLU 29 -3.511 -36.320 -36.320 200 2HB GLU 29 HB1 GLU 29 -3.570 -35.944 -35.944 201 1HG GLU 29 HG2 GLU 29 -4.963 -37.823 -37.823 202 2HG GLU 29 HG1 GLU 29 -5.324 -38.070 -38.070 203 H CYS 30 HN CYS 30 -5.324 -33.759 -33.759 204 HA CYS 30 HA CYS 30 -6.814 -35.253 -35.253 205 1HB CYS 30 HB2 CYS 30 -5.378 -32.760 -32.760 206 2HB CYS 30 HB1 CYS 30 -6.887 -32.479 -32.479 207 H SER 31 HN SER 31 -8.990 -34.786 -34.786 208 HA SER 31 HA SER 31 -10.954 -34.382 -34.382 209 1HB SER 31 HB2 SER 31 -11.603 -35.538 -35.538 210 2HB SER 31 HB1 SER 31 -10.885 -34.329 -34.329 211 HG SER 31 HG SER 31 -13.156 -34.151 -34.151 212 H LYS 32 HN LYS 32 -9.034 -32.126 -32.126 213 HA LYS 32 HA LYS 32 -10.464 -29.880 -29.880 214 1HB LYS 32 HB2 LYS 32 -10.927 -28.759 -28.759 215 2HB LYS 32 HB1 LYS 32 -11.469 -30.422 -30.422 216 1HG LYS 32 HG2 LYS 32 -8.964 -30.743 -30.743 217 2HG LYS 32 HG1 LYS 32 -9.107 -29.017 -29.017 218 1HD LYS 32 HD2 LYS 32 -11.229 -30.970 -30.970 219 2HD LYS 32 HD1 LYS 32 -9.807 -30.640 -30.640 220 1HE LYS 32 HE2 LYS 32 -10.788 -28.744 -28.744 221 2HE LYS 32 HE1 LYS 32 -10.890 -28.133 -28.133 222 1HZ LYS 32 HZ3 LYS 32 -12.846 -29.657 -29.657 223 2HZ LYS 32 HZ2 LYS 32 -12.811 -29.915 -29.915 224 3HZ LYS 32 HZ1 LYS 32 -13.108 -28.360 -28.360 225 HA PRO 33 HA PRO 33 -6.149 -28.848 -28.848 226 1HB PRO 33 HB2 PRO 33 -6.485 -26.505 -26.505 227 2HB PRO 33 HB1 PRO 33 -6.615 -28.100 -28.100 228 1HG PRO 33 HG2 PRO 33 -8.763 -26.247 -26.247 229 2HG PRO 33 HG1 PRO 33 -8.698 -27.276 -27.276 230 1HD PRO 33 HD2 PRO 33 -10.106 -27.900 -27.900 231 2HD PRO 33 HD1 PRO 33 -9.471 -29.111 -29.111 232 H GLY 34 HN GLY 34 -5.026 -26.439 -26.439 233 1HA GLY 34 HA2 GLY 34 -5.884 -24.366 -24.366 234 2HA GLY 34 HA1 GLY 34 -5.717 -25.626 -25.626 235 H VAL 35 HN VAL 35 -4.131 -23.216 -23.216 236 HA VAL 35 HA VAL 35 -1.434 -24.377 -24.377 237 HB VAL 35 HB VAL 35 -1.789 -22.583 -22.583 238 1HG1 VAL 35 HG11 VAL 35 -3.083 -21.151 -21.151 239 2HG1 VAL 35 HG13 VAL 35 -2.783 -20.409 -20.409 240 3HG1 VAL 35 HG12 VAL 35 -3.892 -21.774 -21.774 241 1HG2 VAL 35 HG21 VAL 35 0.234 -22.373 -22.373 242 2HG2 VAL 35 HG23 VAL 35 -0.150 -21.032 -21.032 243 3HG2 VAL 35 HG22 VAL 35 -0.664 -20.980 -20.980 244 H ILE 36 HN ILE 36 -0.071 -24.540 -24.540 245 HA ILE 36 HA ILE 36 -0.927 -23.247 -23.247 246 HB ILE 36 HB ILE 36 0.590 -25.728 -25.728 247 1HG1 ILE 36 HG12 ILE 36 -1.761 -25.068 -25.068 248 2HG1 ILE 36 HG11 ILE 36 -1.766 -26.029 -26.029 249 1HG2 ILE 36 HG21 ILE 36 0.635 -24.357 -24.357 250 2HG2 ILE 36 HG23 ILE 36 1.158 -26.018 -26.018 251 3HG2 ILE 36 HG22 ILE 36 2.024 -24.682 -24.682 252 1HD1 ILE 36 HD13 ILE 36 -0.295 -26.778 -26.778 253 2HD1 ILE 36 HD12 ILE 36 -1.851 -27.444 -27.444 254 3HD1 ILE 36 HD11 ILE 36 -0.412 -27.757 -27.757 255 H PHE 37 HN PHE 37 0.420 -21.724 -21.724 256 HA PHE 37 HA PHE 37 2.894 -21.013 -21.013 257 1HB PHE 37 HB2 PHE 37 1.183 -19.738 -19.738 258 2HB PHE 37 HB1 PHE 37 2.741 -19.054 -19.054 259 HD1 PHE 37 HD1 PHE 37 -0.629 -19.986 -19.986 260 HD2 PHE 37 HD2 PHE 37 2.999 -17.814 -17.814 261 HE1 PHE 37 HE1 PHE 37 -1.702 -18.865 -18.865 262 HE2 PHE 37 HE2 PHE 37 1.926 -16.699 -16.699 263 HZ PHE 37 HZ PHE 37 -0.424 -17.221 -17.221 264 H LEU 38 HN LEU 38 4.946 -21.301 -21.301 265 HA LEU 38 HA LEU 38 5.080 -22.786 -22.786 266 1HB LEU 38 HB2 LEU 38 6.416 -22.827 -22.827 267 2HB LEU 38 HB1 LEU 38 7.609 -22.455 -22.455 268 HG LEU 38 HG LEU 38 7.398 -24.894 -24.894 269 1HD1 LEU 38 HD11 LEU 38 6.843 -23.466 -23.466 270 2HD1 LEU 38 HD13 LEU 38 6.246 -25.126 -25.126 271 3HD1 LEU 38 HD12 LEU 38 7.951 -24.805 -24.805 272 1HD2 LEU 38 HD22 LEU 38 4.701 -24.308 -24.308 273 2HD2 LEU 38 HD21 LEU 38 5.396 -25.923 -25.923 274 3HD2 LEU 38 HD23 LEU 38 4.743 -25.117 -25.117 275 H THR 39 HN THR 39 5.522 -21.570 -21.570 276 HA THR 39 HA THR 39 6.598 -18.835 -18.835 277 HB THR 39 HB THR 39 5.827 -18.575 -18.575 278 HG1 THR 39 HG1 THR 39 6.467 -20.149 -20.149 279 1HG2 THR 39 HG22 THR 39 4.173 -19.723 -19.723 280 2HG2 THR 39 HG21 THR 39 3.781 -20.569 -20.569 281 3HG2 THR 39 HG23 THR 39 3.656 -18.811 -18.811 282 H LYS 40 HN LYS 40 8.587 -18.166 -18.166 283 HA LYS 40 HA LYS 40 10.736 -20.066 -20.066 284 1HB LYS 40 HB2 LYS 40 11.019 -17.709 -17.709 285 2HB LYS 40 HB1 LYS 40 10.455 -17.222 -17.222 286 1HG LYS 40 HG2 LYS 40 12.471 -18.945 -18.945 287 2HG LYS 40 HG1 LYS 40 13.097 -18.260 -18.260 288 1HD LYS 40 HD2 LYS 40 12.579 -15.967 -15.967 289 2HD LYS 40 HD1 LYS 40 12.223 -16.754 -16.754 290 1HE LYS 40 HE2 LYS 40 14.587 -17.843 -17.843 291 2HE LYS 40 HE1 LYS 40 14.868 -16.528 -16.528 292 1HZ LYS 40 HZ2 LYS 40 13.534 -15.761 -15.761 293 2HZ LYS 40 HZ1 LYS 40 15.143 -16.267 -16.267 294 3HZ LYS 40 HZ3 LYS 40 14.784 -14.978 -14.978 295 H LYS 41 HN LYS 41 8.598 -18.806 -18.806 296 HA LYS 41 HA LYS 41 10.213 -19.532 -19.532 297 1HB LYS 41 HB2 LYS 41 8.046 -18.010 -18.010 298 2HB LYS 41 HB1 LYS 41 7.234 -19.479 -19.479 299 1HG LYS 41 HG2 LYS 41 9.559 -18.821 -18.821 300 2HG LYS 41 HG1 LYS 41 8.346 -17.540 -17.540 301 1HD LYS 41 HD2 LYS 41 6.758 -19.744 -19.744 302 2HD LYS 41 HD1 LYS 41 8.200 -20.285 -20.285 303 1HE LYS 41 HE2 LYS 41 8.127 -18.211 -18.211 304 2HE LYS 41 HE1 LYS 41 6.628 -17.743 -17.743 305 1HZ LYS 41 HZ3 LYS 41 6.860 -20.456 -20.456 306 2HZ LYS 41 HZ2 LYS 41 6.553 -19.176 -19.176 307 3HZ LYS 41 HZ1 LYS 41 5.478 -19.494 -19.494 308 H GLY 42 HN GLY 42 8.516 -21.426 -21.426 309 1HA GLY 42 HA2 GLY 42 8.641 -23.848 -23.848 310 2HA GLY 42 HA1 GLY 42 8.775 -23.781 -23.781 311 H ARG 43 HN ARG 43 6.423 -22.640 -22.640 312 HA ARG 43 HA ARG 43 4.288 -24.157 -24.157 313 1HB ARG 43 HB2 ARG 43 4.841 -21.514 -21.514 314 2HB ARG 43 HB1 ARG 43 3.551 -21.369 -21.369 315 1HG ARG 43 HG2 ARG 43 2.522 -23.362 -23.362 316 2HG ARG 43 HG1 ARG 43 3.488 -22.566 -22.566 317 1HD ARG 43 HD2 ARG 43 2.365 -20.433 -20.433 318 2HD ARG 43 HD1 ARG 43 1.459 -21.160 -21.160 319 HE ARG 43 HE ARG 43 0.125 -22.333 -22.333 320 1HH1 ARG 43 HH11 ARG 43 3.012 -21.097 -21.097 321 2HH1 ARG 43 HH12 ARG 43 2.445 -21.267 -21.267 322 1HH2 ARG 43 HH21 ARG 43 -0.681 -22.445 -22.445 323 2HH2 ARG 43 HH22 ARG 43 0.356 -22.028 -22.028 324 H GLN 44 HN GLN 44 2.121 -23.679 -23.679 325 HA GLN 44 HA GLN 44 2.671 -23.161 -23.161 326 1HB GLN 44 HB2 GLN 44 1.305 -25.671 -25.671 327 2HB GLN 44 HB1 GLN 44 1.808 -25.318 -25.318 328 1HG GLN 44 HG2 GLN 44 4.193 -25.150 -25.150 329 2HG GLN 44 HG1 GLN 44 3.560 -25.880 -25.880 330 1HE2 GLN 44 HE21 GLN 44 1.595 -27.594 -27.594 331 2HE2 GLN 44 HE22 GLN 44 2.491 -28.807 -28.807 332 H VAL 45 HN VAL 45 0.944 -22.129 -22.129 333 HA VAL 45 HA VAL 45 -1.587 -21.939 -21.939 334 HB VAL 45 HB VAL 45 -0.232 -20.143 -20.143 335 1HG1 VAL 45 HG11 VAL 45 -2.938 -19.886 -19.886 336 2HG1 VAL 45 HG13 VAL 45 -2.135 -18.577 -18.577 337 3HG1 VAL 45 HG12 VAL 45 -2.631 -20.029 -20.029 338 1HG2 VAL 45 HG23 VAL 45 -0.277 -20.345 -20.345 339 2HG2 VAL 45 HG22 VAL 45 0.736 -19.333 -19.333 340 3HG2 VAL 45 HG21 VAL 45 -0.861 -18.770 -18.770 341 H CYS 46 HN CYS 46 -3.611 -21.964 -21.964 342 HA CYS 46 HA CYS 46 -3.324 -23.539 -23.539 343 1HB CYS 46 HB2 CYS 46 -4.885 -23.812 -23.812 344 2HB CYS 46 HB1 CYS 46 -5.903 -23.873 -23.873 345 H ALA 47 HN ALA 47 -4.030 -22.448 -22.448 346 HA ALA 47 HA ALA 47 -6.124 -20.333 -20.333 347 1HB ALA 47 HB2 ALA 47 -3.382 -20.111 -20.111 348 2HB ALA 47 HB1 ALA 47 -4.389 -19.699 -19.699 349 3HB ALA 47 HB3 ALA 47 -4.583 -18.827 -18.827 350 H LYS 48 HN LYS 48 -7.373 -19.902 -19.902 351 HA LYS 48 HA LYS 48 -8.109 -22.323 -22.323 352 1HB LYS 48 HB2 LYS 48 -8.987 -19.562 -19.562 353 2HB LYS 48 HB1 LYS 48 -9.191 -20.091 -20.091 354 1HG LYS 48 HG2 LYS 48 -10.801 -21.615 -21.615 355 2HG LYS 48 HG1 LYS 48 -10.014 -22.055 -22.055 356 1HD LYS 48 HD2 LYS 48 -10.845 -20.045 -20.045 357 2HD LYS 48 HD1 LYS 48 -11.496 -19.447 -19.447 358 1HE LYS 48 HE2 LYS 48 -12.862 -21.677 -21.677 359 2HE LYS 48 HE1 LYS 48 -12.489 -21.726 -21.726 360 1HZ LYS 48 HZ3 LYS 48 -13.640 -19.384 -19.384 361 2HZ LYS 48 HZ2 LYS 48 -14.541 -20.470 -20.470 362 3HZ LYS 48 HZ1 LYS 48 -13.350 -19.497 -19.497 363 HA PRO 49 HA PRO 49 -5.708 -21.943 -21.943 364 1HB PRO 49 HB2 PRO 49 -7.520 -22.077 -22.077 365 2HB PRO 49 HB1 PRO 49 -7.075 -23.478 -23.478 366 1HG PRO 49 HG2 PRO 49 -9.475 -21.716 -21.716 367 2HG PRO 49 HG1 PRO 49 -9.350 -23.469 -23.469 368 1HD PRO 49 HD2 PRO 49 -9.550 -21.717 -21.717 369 2HD PRO 49 HD1 PRO 49 -8.733 -23.290 -23.290 370 H SER 50 HN SER 50 -8.509 -19.783 -19.783 371 HA SER 50 HA SER 50 -6.855 -17.672 -17.672 372 1HB SER 50 HB2 SER 50 -9.667 -18.634 -18.634 373 2HB SER 50 HB1 SER 50 -9.227 -16.972 -16.972 374 HG SER 50 HG SER 50 -8.722 -19.194 -19.194 375 H GLY 51 HN GLY 51 -7.129 -18.063 -18.063 376 1HA GLY 51 HA2 GLY 51 -9.231 -16.441 -16.441 377 2HA GLY 51 HA1 GLY 51 -7.753 -16.913 -16.913 378 HA PRO 52 HA PRO 52 -7.668 -12.459 -12.459 379 1HB PRO 52 HB2 PRO 52 -9.035 -11.028 -11.028 380 2HB PRO 52 HB1 PRO 52 -9.797 -11.667 -11.667 381 1HG PRO 52 HG2 PRO 52 -9.822 -12.753 -12.753 382 2HG PRO 52 HG1 PRO 52 -11.130 -12.673 -12.673 383 1HD PRO 52 HD2 PRO 52 -9.719 -14.942 -14.942 384 2HD PRO 52 HD1 PRO 52 -10.441 -14.585 -14.585 385 H GLY 53 HN GLY 53 -5.514 -12.288 -12.288 386 1HA GLY 53 HA2 GLY 53 -4.107 -10.966 -10.966 387 2HA GLY 53 HA1 GLY 53 -4.909 -11.889 -11.889 388 H VAL 54 HN VAL 54 -4.887 -14.370 -14.370 389 HA VAL 54 HA VAL 54 -2.428 -15.516 -15.516 390 HB VAL 54 HB VAL 54 -4.614 -16.247 -16.247 391 1HG1 VAL 54 HG13 VAL 54 -1.928 -17.416 -17.416 392 2HG1 VAL 54 HG12 VAL 54 -3.215 -18.593 -18.593 393 3HG1 VAL 54 HG11 VAL 54 -3.170 -17.643 -17.643 394 1HG2 VAL 54 HG21 VAL 54 -4.753 -16.301 -16.301 395 2HG2 VAL 54 HG23 VAL 54 -5.323 -17.707 -17.707 396 3HG2 VAL 54 HG22 VAL 54 -3.734 -17.734 -17.734 397 H GLN 55 HN GLN 55 -3.424 -14.245 -14.245 398 HA GLN 55 HA GLN 55 -0.987 -14.969 -14.969 399 1HB GLN 55 HB2 GLN 55 -3.443 -14.063 -14.063 400 2HB GLN 55 HB1 GLN 55 -2.544 -12.547 -12.547 401 1HG GLN 55 HG2 GLN 55 -2.215 -13.373 -13.373 402 2HG GLN 55 HG1 GLN 55 -0.792 -14.009 -14.009 403 1HE2 GLN 55 HE21 GLN 55 -0.480 -16.107 -16.107 404 2HE2 GLN 55 HE22 GLN 55 -1.703 -17.273 -17.273 405 H ASP 56 HN ASP 56 -1.919 -12.386 -12.386 406 HA ASP 56 HA ASP 56 0.170 -10.509 -10.509 407 1HB ASP 56 HB2 ASP 56 -1.993 -10.128 -10.128 408 2HB ASP 56 HB1 ASP 56 -1.219 -10.939 -10.939 409 H CYS 57 HN CYS 57 -0.135 -13.125 -13.125 410 HA CYS 57 HA CYS 57 2.434 -12.737 -12.737 411 1HB CYS 57 HB2 CYS 57 0.621 -15.142 -15.142 412 2HB CYS 57 HB1 CYS 57 2.020 -15.132 -15.132 413 H MET 58 HN MET 58 1.334 -14.860 -14.860 414 HA MET 58 HA MET 58 3.939 -15.994 -15.994 415 1HB MET 58 HB2 MET 58 1.577 -15.657 -15.657 416 2HB MET 58 HB1 MET 58 2.832 -16.891 -16.891 417 1HG MET 58 HG2 MET 58 1.885 -18.143 -18.143 418 2HG MET 58 HG1 MET 58 1.367 -16.725 -16.725 419 1HE MET 58 HE1 MET 58 0.986 -19.331 -19.331 420 2HE MET 58 HE3 MET 58 -0.742 -19.672 -19.672 421 3HE MET 58 HE2 MET 58 -0.134 -18.886 -18.886 422 H LYS 59 HN LYS 59 2.389 -12.990 -12.990 423 HA LYS 59 HA LYS 59 3.895 -12.388 -12.388 424 1HB LYS 59 HB2 LYS 59 1.988 -11.173 -11.173 425 2HB LYS 59 HB1 LYS 59 3.279 -10.021 -10.021 426 1HG LYS 59 HG2 LYS 59 2.762 -9.896 -9.896 427 2HG LYS 59 HG1 LYS 59 2.198 -11.566 -11.566 428 1HD LYS 59 HD2 LYS 59 0.062 -10.936 -10.936 429 2HD LYS 59 HD1 LYS 59 0.529 -9.969 -9.969 430 1HE LYS 59 HE2 LYS 59 1.180 -8.899 -8.899 431 2HE LYS 59 HE1 LYS 59 -0.496 -8.793 -8.793 432 1HZ LYS 59 HZ3 LYS 59 0.539 -7.976 -7.976 433 2HZ LYS 59 HZ2 LYS 59 1.961 -7.725 -7.725 434 3HZ LYS 59 HZ1 LYS 59 0.539 -6.890 -6.890 435 H LYS 60 HN LYS 60 4.341 -11.424 -11.424 436 HA LYS 60 HA LYS 60 6.907 -10.164 -10.164 437 1HB LYS 60 HB2 LYS 60 5.076 -10.908 -10.908 438 2HB LYS 60 HB1 LYS 60 6.777 -10.927 -10.927 439 1HG LYS 60 HG2 LYS 60 5.649 -8.694 -8.694 440 2HG LYS 60 HG1 LYS 60 7.068 -8.638 -8.638 441 1HD LYS 60 HD2 LYS 60 5.814 -7.837 -7.837 442 2HD LYS 60 HD1 LYS 60 4.762 -9.251 -9.251 443 1HE LYS 60 HE2 LYS 60 3.116 -7.967 -7.967 444 2HE LYS 60 HE1 LYS 60 4.180 -7.518 -7.518 445 1HZ LYS 60 HZ1 LYS 60 5.297 -6.085 -6.085 446 2HZ LYS 60 HZ3 LYS 60 3.749 -6.164 -6.164 447 3HZ LYS 60 HZ2 LYS 60 3.954 -5.495 -5.495 448 H LEU 61 HN LEU 61 5.841 -13.462 -13.462 449 HA LEU 61 HA LEU 61 8.449 -14.478 -14.478 450 1HB LEU 61 HB2 LEU 61 5.705 -15.432 -15.432 451 2HB LEU 61 HB1 LEU 61 6.967 -16.621 -16.621 452 HG LEU 61 HG LEU 61 7.730 -16.587 -16.587 453 1HD1 LEU 61 HD13 LEU 61 6.327 -13.923 -13.923 454 2HD1 LEU 61 HD12 LEU 61 6.701 -14.804 -14.804 455 3HD1 LEU 61 HD11 LEU 61 8.001 -14.310 -14.310 456 1HD2 LEU 61 HD23 LEU 61 4.728 -16.282 -16.282 457 2HD2 LEU 61 HD22 LEU 61 5.672 -17.763 -17.763 458 3HD2 LEU 61 HD21 LEU 61 5.556 -16.662 -16.662 459 H LYS 62 HN LYS 62 7.241 -13.420 -13.420 460 HA LYS 62 HA LYS 62 9.491 -14.618 -14.618 461 1HB LYS 62 HB2 LYS 62 7.276 -16.135 -16.135 462 2HB LYS 62 HB1 LYS 62 6.814 -15.166 -15.166 463 1HG LYS 62 HG2 LYS 62 9.085 -15.755 -15.755 464 2HG LYS 62 HG1 LYS 62 9.250 -16.937 -16.937 465 1HD LYS 62 HD2 LYS 62 7.180 -18.044 -18.044 466 2HD LYS 62 HD1 LYS 62 6.960 -16.838 -16.838 467 1HE LYS 62 HE2 LYS 62 9.596 -18.226 -18.226 468 2HE LYS 62 HE1 LYS 62 8.197 -19.202 -19.202 469 1HZ LYS 62 HZ2 LYS 62 7.583 -17.083 -17.083 470 2HZ LYS 62 HZ1 LYS 62 9.237 -16.716 -16.716 471 3HZ LYS 62 HZ3 LYS 62 8.749 -18.146 -18.146 472 HA PRO 63 HA PRO 63 7.874 -10.571 -10.571 473 1HB PRO 63 HB2 PRO 63 10.058 -9.061 -9.061 474 2HB PRO 63 HB1 PRO 63 8.711 -9.331 -9.331 475 1HG PRO 63 HG2 PRO 63 11.417 -10.522 -10.522 476 2HG PRO 63 HG1 PRO 63 10.341 -10.196 -10.196 477 1HD PRO 63 HD2 PRO 63 10.779 -12.684 -12.684 478 2HD PRO 63 HD1 PRO 63 9.468 -12.284 -12.284 479 H TYR 64 HN TYR 64 8.513 -12.251 -12.251 480 HA TYR 64 HA TYR 64 10.794 -11.021 -11.021 481 1HB TYR 64 HB2 TYR 64 10.270 -13.865 -13.865 482 2HB TYR 64 HB1 TYR 64 11.055 -13.559 -13.559 483 HD1 TYR 64 HD1 TYR 64 13.260 -12.491 -12.491 484 HD2 TYR 64 HD2 TYR 64 11.363 -13.297 -13.297 485 HE1 TYR 64 HE1 TYR 64 15.412 -12.097 -12.097 486 HE2 TYR 64 HE2 TYR 64 13.516 -12.902 -12.902 487 HH TYR 64 HH TYR 64 16.273 -13.089 -13.089 488 H SER 65 HN SER 65 8.265 -10.187 -10.187 489 HA SER 65 HA SER 65 7.643 -11.599 -11.599 490 1HB SER 65 HB2 SER 65 5.193 -11.037 -11.037 491 2HB SER 65 HB1 SER 65 5.983 -12.401 -12.401 492 HG SER 65 HG SER 65 5.030 -11.084 -11.084 493 H ILE 66 HN ILE 66 9.043 -9.608 -9.608 494 HA ILE 66 HA ILE 66 9.197 -7.370 -7.370 495 HB ILE 66 HB ILE 66 6.298 -8.013 -8.013 496 1HG1 ILE 66 HG12 ILE 66 7.841 -8.703 -8.703 497 2HG1 ILE 66 HG11 ILE 66 8.800 -9.284 -9.284 498 1HG2 ILE 66 HG23 ILE 66 7.873 -5.771 -5.771 499 2HG2 ILE 66 HG22 ILE 66 7.903 -6.724 -6.724 500 3HG2 ILE 66 HG21 ILE 66 6.362 -6.216 -6.216 501 1HD1 ILE 66 HD11 ILE 66 6.347 -10.110 -10.110 502 2HD1 ILE 66 HD13 ILE 66 6.136 -10.182 -10.182 503 3HD1 ILE 66 HD12 ILE 66 7.425 -11.106 -11.106 Start of MODEL 22 1 1H HIS 1 HT1 HIS 1 0.733 -43.895 -43.895 2 2H HIS 1 HT3 HIS 1 2.416 -43.690 -43.690 3 3H HIS 1 HT2 HIS 1 1.533 -43.831 -43.831 4 HA HIS 1 HA HIS 1 1.848 -41.560 -41.560 5 1HB HIS 1 HB2 HIS 1 2.714 -42.182 -42.182 6 2HB HIS 1 HB1 HIS 1 1.209 -41.364 -41.364 7 HD1 HIS 1 HD1 HIS 1 3.683 -39.891 -39.891 8 HD2 HIS 1 HD2 HIS 1 2.034 -39.461 -39.461 9 HE1 HIS 1 HE1 HIS 1 4.528 -37.681 -37.681 10 H PHE 2 HN PHE 2 -0.138 -41.460 -41.460 11 HA PHE 2 HA PHE 2 -2.507 -40.720 -40.720 12 1HB PHE 2 HB2 PHE 2 -3.897 -42.223 -42.223 13 2HB PHE 2 HB1 PHE 2 -2.539 -43.145 -43.145 14 HD1 PHE 2 HD1 PHE 2 -0.464 -43.432 -43.432 15 HD2 PHE 2 HD2 PHE 2 -4.288 -42.121 -42.121 16 HE1 PHE 2 HE1 PHE 2 0.201 -44.051 -44.051 17 HE2 PHE 2 HE2 PHE 2 -3.624 -42.739 -42.739 18 HZ PHE 2 HZ PHE 2 -1.380 -43.703 -43.703 19 H ALA 3 HN ALA 3 -1.019 -38.774 -38.774 20 HA ALA 3 HA ALA 3 -2.847 -37.710 -37.710 21 1HB ALA 3 HB2 ALA 3 0.022 -38.514 -38.514 22 2HB ALA 3 HB1 ALA 3 -0.876 -37.410 -37.410 23 3HB ALA 3 HB3 ALA 3 -1.428 -39.072 -39.072 24 H ALA 4 HN ALA 4 0.523 -37.196 -37.196 25 HA ALA 4 HA ALA 4 1.567 -35.233 -35.233 26 1HB ALA 4 HB3 ALA 4 -0.817 -35.832 -35.832 27 2HB ALA 4 HB2 ALA 4 -0.819 -34.084 -34.084 28 3HB ALA 4 HB1 ALA 4 0.538 -34.865 -34.865 29 H ASP 5 HN ASP 5 0.314 -32.660 -32.660 30 HA ASP 5 HA ASP 5 -0.239 -31.878 -31.878 31 1HB ASP 5 HB2 ASP 5 1.035 -30.256 -30.256 32 2HB ASP 5 HB1 ASP 5 0.979 -29.845 -29.845 33 H CYS 6 HN CYS 6 -2.549 -32.488 -32.488 34 HA CYS 6 HA CYS 6 -3.665 -30.264 -30.264 35 1HB CYS 6 HB2 CYS 6 -4.974 -32.749 -32.749 36 2HB CYS 6 HB1 CYS 6 -5.573 -31.748 -31.748 37 H CYS 7 HN CYS 7 -4.960 -28.668 -28.668 38 HA CYS 7 HA CYS 7 -5.268 -28.599 -28.599 39 1HB CYS 7 HB2 CYS 7 -5.497 -26.727 -26.727 40 2HB CYS 7 HB1 CYS 7 -6.206 -26.275 -26.275 41 H THR 8 HN THR 8 -7.262 -28.780 -28.780 42 HA THR 8 HA THR 8 -9.596 -29.527 -29.527 43 HB THR 8 HB THR 8 -10.467 -30.336 -30.336 44 HG1 THR 8 HG1 THR 8 -9.222 -30.104 -30.104 45 1HG2 THR 8 HG21 THR 8 -8.155 -31.290 -31.290 46 2HG2 THR 8 HG23 THR 8 -8.014 -31.701 -31.701 47 3HG2 THR 8 HG22 THR 8 -9.428 -32.219 -32.219 48 H SER 9 HN SER 9 -8.375 -27.025 -27.025 49 HA SER 9 HA SER 9 -10.862 -25.439 -25.439 50 1HB SER 9 HB2 SER 9 -10.531 -24.726 -24.726 51 2HB SER 9 HB1 SER 9 -11.183 -26.340 -26.340 52 HG SER 9 HG SER 9 -9.479 -26.396 -26.396 53 H TYR 10 HN TYR 10 -10.356 -23.309 -23.309 54 HA TYR 10 HA TYR 10 -7.491 -22.591 -22.591 55 1HB TYR 10 HB2 TYR 10 -10.018 -21.173 -21.173 56 2HB TYR 10 HB1 TYR 10 -8.370 -20.741 -20.741 57 HD1 TYR 10 HD1 TYR 10 -6.932 -22.573 -22.573 58 HD2 TYR 10 HD2 TYR 10 -11.209 -22.792 -22.792 59 HE1 TYR 10 HE1 TYR 10 -6.990 -24.265 -24.265 60 HE2 TYR 10 HE2 TYR 10 -11.268 -24.483 -24.483 61 HH TYR 10 HH TYR 10 -8.617 -26.164 -26.164 62 H ILE 11 HN ILE 11 -6.953 -20.257 -20.257 63 HA ILE 11 HA ILE 11 -7.377 -19.894 -19.894 64 HB ILE 11 HB ILE 11 -6.129 -17.894 -17.894 65 1HG1 ILE 11 HG12 ILE 11 -7.746 -16.900 -16.900 66 2HG1 ILE 11 HG11 ILE 11 -6.056 -16.648 -16.648 67 1HG2 ILE 11 HG21 ILE 11 -5.089 -20.105 -20.105 68 2HG2 ILE 11 HG23 ILE 11 -5.315 -19.399 -19.399 69 3HG2 ILE 11 HG22 ILE 11 -4.299 -18.582 -18.582 70 1HD1 ILE 11 HD12 ILE 11 -6.218 -18.713 -18.713 71 2HD1 ILE 11 HD11 ILE 11 -7.955 -18.709 -18.709 72 3HD1 ILE 11 HD13 ILE 11 -7.206 -17.357 -17.357 73 H SER 12 HN SER 12 -8.445 -17.851 -17.851 74 HA SER 12 HA SER 12 -11.170 -17.591 -17.591 75 1HB SER 12 HB2 SER 12 -11.084 -16.272 -16.272 76 2HB SER 12 HB1 SER 12 -11.581 -17.946 -17.946 77 HG SER 12 HG SER 12 -9.530 -17.080 -17.080 78 H GLN 13 HN GLN 13 -8.256 -15.923 -15.923 79 HA GLN 13 HA GLN 13 -9.635 -13.398 -13.398 80 1HB GLN 13 HB2 GLN 13 -8.095 -12.130 -12.130 81 2HB GLN 13 HB1 GLN 13 -8.907 -13.339 -13.339 82 1HG GLN 13 HG2 GLN 13 -6.716 -14.728 -14.728 83 2HG GLN 13 HG1 GLN 13 -6.063 -13.104 -13.104 84 1HE2 GLN 13 HE21 GLN 13 -6.393 -15.943 -15.943 85 2HE2 GLN 13 HE22 GLN 13 -6.519 -15.349 -15.349 86 H SER 14 HN SER 14 -8.034 -11.954 -11.954 87 HA SER 14 HA SER 14 -6.841 -13.130 -13.130 88 1HB SER 14 HB2 SER 14 -6.840 -10.619 -10.619 89 2HB SER 14 HB1 SER 14 -5.167 -10.977 -10.977 90 HG SER 14 HG SER 14 -5.722 -11.129 -11.129 91 H ILE 15 HN ILE 15 -4.720 -13.959 -13.959 92 HA ILE 15 HA ILE 15 -3.410 -15.381 -15.381 93 HB ILE 15 HB ILE 15 -2.714 -14.759 -14.759 94 1HG1 ILE 15 HG12 ILE 15 -4.705 -16.241 -16.241 95 2HG1 ILE 15 HG11 ILE 15 -3.481 -16.984 -16.984 96 1HG2 ILE 15 HG21 ILE 15 -0.702 -15.185 -15.185 97 2HG2 ILE 15 HG23 ILE 15 -1.364 -16.793 -16.793 98 3HG2 ILE 15 HG22 ILE 15 -0.896 -16.317 -16.317 99 1HD1 ILE 15 HD13 ILE 15 -2.451 -18.013 -18.013 100 2HD1 ILE 15 HD12 ILE 15 -3.752 -17.334 -17.334 101 3HD1 ILE 15 HD11 ILE 15 -4.114 -18.546 -18.546 102 HA PRO 16 HA PRO 16 -0.785 -12.073 -12.073 103 1HB PRO 16 HB2 PRO 16 0.924 -13.560 -13.560 104 2HB PRO 16 HB1 PRO 16 -0.719 -13.141 -13.141 105 1HG PRO 16 HG2 PRO 16 0.331 -15.690 -15.690 106 2HG PRO 16 HG1 PRO 16 -0.893 -15.425 -15.425 107 1HD PRO 16 HD2 PRO 16 -1.447 -16.079 -16.079 108 2HD PRO 16 HD1 PRO 16 -2.577 -15.246 -15.246 109 H CYS 17 HN CYS 17 0.063 -11.858 -11.858 110 HA CYS 17 HA CYS 17 2.202 -13.389 -13.389 111 1HB CYS 17 HB2 CYS 17 1.721 -10.407 -10.407 112 2HB CYS 17 HB1 CYS 17 2.510 -11.442 -11.442 113 H SER 18 HN SER 18 2.146 -10.814 -10.814 114 HA SER 18 HA SER 18 4.948 -10.161 -10.161 115 1HB SER 18 HB2 SER 18 3.621 -8.565 -8.565 116 2HB SER 18 HB1 SER 18 2.559 -9.765 -9.765 117 HG SER 18 HG SER 18 3.815 -9.856 -9.856 118 H LEU 19 HN LEU 19 3.776 -13.153 -13.153 119 HA LEU 19 HA LEU 19 5.984 -13.683 -13.683 120 1HB LEU 19 HB2 LEU 19 3.093 -13.801 -13.801 121 2HB LEU 19 HB1 LEU 19 3.889 -15.331 -15.331 122 HG LEU 19 HG LEU 19 5.579 -13.348 -13.348 123 1HD1 LEU 19 HD11 LEU 19 3.505 -11.861 -11.861 124 2HD1 LEU 19 HD13 LEU 19 2.753 -12.841 -12.841 125 3HD1 LEU 19 HD12 LEU 19 4.205 -11.907 -11.907 126 1HD2 LEU 19 HD21 LEU 19 4.966 -15.652 -15.652 127 2HD2 LEU 19 HD23 LEU 19 5.051 -14.392 -14.392 128 3HD2 LEU 19 HD22 LEU 19 3.483 -14.937 -14.937 129 H MET 20 HN MET 20 5.362 -14.237 -14.237 130 HA MET 20 HA MET 20 5.716 -17.218 -17.218 131 1HB MET 20 HB2 MET 20 4.406 -15.765 -15.765 132 2HB MET 20 HB1 MET 20 4.292 -17.470 -17.470 133 1HG MET 20 HG2 MET 20 3.275 -15.376 -15.376 134 2HG MET 20 HG1 MET 20 2.284 -15.891 -15.891 135 1HE MET 20 HE1 MET 20 0.701 -16.205 -16.205 136 2HE MET 20 HE3 MET 20 0.269 -17.834 -17.834 137 3HE MET 20 HE2 MET 20 0.522 -17.506 -17.506 138 H LYS 21 HN LYS 21 7.489 -17.966 -17.966 139 HA LYS 21 HA LYS 21 9.187 -16.040 -16.040 140 1HB LYS 21 HB2 LYS 21 10.308 -17.175 -17.175 141 2HB LYS 21 HB1 LYS 21 9.543 -18.714 -18.714 142 1HG LYS 21 HG2 LYS 21 10.998 -19.146 -19.146 143 2HG LYS 21 HG1 LYS 21 11.218 -17.437 -17.437 144 1HD LYS 21 HD2 LYS 21 12.203 -17.880 -17.880 145 2HD LYS 21 HD1 LYS 21 12.890 -19.123 -19.123 146 1HE LYS 21 HE2 LYS 21 14.125 -17.599 -17.599 147 2HE LYS 21 HE1 LYS 21 12.856 -16.362 -16.362 148 1HZ LYS 21 HZ1 LYS 21 13.418 -16.509 -16.509 149 2HZ LYS 21 HZ3 LYS 21 14.919 -17.057 -17.057 150 3HZ LYS 21 HZ2 LYS 21 14.344 -15.526 -15.526 151 H SER 22 HN SER 22 7.535 -19.185 -19.185 152 HA SER 22 HA SER 22 7.665 -18.784 -18.784 153 1HB SER 22 HB2 SER 22 9.824 -19.879 -19.879 154 2HB SER 22 HB1 SER 22 8.819 -21.311 -21.311 155 HG SER 22 HG SER 22 9.995 -21.021 -21.021 156 H TYR 23 HN TYR 23 5.634 -19.324 -19.324 157 HA TYR 23 HA TYR 23 4.019 -21.262 -21.262 158 1HB TYR 23 HB2 TYR 23 2.183 -20.291 -20.291 159 2HB TYR 23 HB1 TYR 23 3.223 -18.975 -18.975 160 HD1 TYR 23 HD1 TYR 23 4.664 -17.766 -17.766 161 HD2 TYR 23 HD2 TYR 23 2.129 -20.968 -20.968 162 HE1 TYR 23 HE1 TYR 23 5.021 -17.070 -17.070 163 HE2 TYR 23 HE2 TYR 23 2.485 -20.272 -20.272 164 HH TYR 23 HH TYR 23 4.755 -18.689 -18.689 165 H PHE 24 HN PHE 24 2.704 -22.883 -22.883 166 HA PHE 24 HA PHE 24 3.927 -23.650 -23.650 167 1HB PHE 24 HB2 PHE 24 4.714 -25.732 -25.732 168 2HB PHE 24 HB1 PHE 24 5.114 -24.664 -24.664 169 HD1 PHE 24 HD1 PHE 24 2.440 -26.999 -26.999 170 HD2 PHE 24 HD2 PHE 24 4.316 -25.115 -25.115 171 HE1 PHE 24 HE1 PHE 24 1.095 -28.405 -28.405 172 HE2 PHE 24 HE2 PHE 24 2.965 -26.524 -26.524 173 HZ PHE 24 HZ PHE 24 1.356 -28.168 -28.168 174 H GLU 25 HN GLU 25 2.526 -24.973 -24.973 175 HA GLU 25 HA GLU 25 -0.310 -24.891 -24.891 176 1HB GLU 25 HB2 GLU 25 -0.707 -25.368 -25.368 177 2HB GLU 25 HB1 GLU 25 0.583 -24.169 -24.169 178 1HG GLU 25 HG2 GLU 25 2.205 -26.174 -26.174 179 2HG GLU 25 HG1 GLU 25 0.814 -27.129 -27.129 180 H THR 26 HN THR 26 -1.557 -26.766 -26.766 181 HA THR 26 HA THR 26 -0.102 -29.186 -29.186 182 HB THR 26 HB THR 26 -2.337 -29.932 -29.932 183 HG1 THR 26 HG1 THR 26 -3.172 -27.678 -27.678 184 1HG2 THR 26 HG22 THR 26 -1.451 -27.142 -27.142 185 2HG2 THR 26 HG21 THR 26 -3.036 -27.647 -27.647 186 3HG2 THR 26 HG23 THR 26 -1.592 -28.527 -28.527 187 H SER 27 HN SER 27 -1.641 -31.272 -31.272 188 HA SER 27 HA SER 27 -1.136 -31.356 -31.356 189 1HB SER 27 HB2 SER 27 -1.799 -33.554 -33.554 190 2HB SER 27 HB1 SER 27 -1.145 -33.764 -33.764 191 HG SER 27 HG SER 27 0.091 -32.774 -32.774 192 H SER 28 HN SER 28 -2.807 -31.697 -31.697 193 HA SER 28 HA SER 28 -5.522 -31.132 -31.132 194 1HB SER 28 HB2 SER 28 -4.445 -30.630 -30.630 195 2HB SER 28 HB1 SER 28 -4.409 -32.360 -32.360 196 HG SER 28 HG SER 28 -6.338 -32.057 -32.057 197 H GLU 29 HN GLU 29 -3.719 -33.941 -33.941 198 HA GLU 29 HA GLU 29 -5.699 -35.942 -35.942 199 1HB GLU 29 HB2 GLU 29 -2.999 -35.763 -35.763 200 2HB GLU 29 HB1 GLU 29 -3.818 -36.746 -36.746 201 1HG GLU 29 HG2 GLU 29 -4.426 -37.307 -37.307 202 2HG GLU 29 HG1 GLU 29 -2.854 -37.819 -37.819 203 H CYS 30 HN CYS 30 -5.084 -33.954 -33.954 204 HA CYS 30 HA CYS 30 -6.559 -35.576 -35.576 205 1HB CYS 30 HB2 CYS 30 -5.107 -33.063 -33.063 206 2HB CYS 30 HB1 CYS 30 -6.572 -32.887 -32.887 207 H SER 31 HN SER 31 -8.706 -35.187 -35.187 208 HA SER 31 HA SER 31 -10.684 -34.512 -34.512 209 1HB SER 31 HB2 SER 31 -10.575 -34.944 -34.944 210 2HB SER 31 HB1 SER 31 -12.082 -34.403 -34.403 211 HG SER 31 HG SER 31 -12.372 -36.348 -36.348 212 H LYS 32 HN LYS 32 -8.691 -32.498 -32.498 213 HA LYS 32 HA LYS 32 -10.263 -30.118 -30.118 214 1HB LYS 32 HB2 LYS 32 -9.754 -31.097 -31.097 215 2HB LYS 32 HB1 LYS 32 -9.860 -29.362 -29.362 216 1HG LYS 32 HG2 LYS 32 -12.057 -29.847 -29.847 217 2HG LYS 32 HG1 LYS 32 -11.968 -31.467 -31.467 218 1HD LYS 32 HD2 LYS 32 -11.489 -29.945 -29.945 219 2HD LYS 32 HD1 LYS 32 -12.571 -28.883 -28.883 220 1HE LYS 32 HE2 LYS 32 -14.366 -30.318 -30.318 221 2HE LYS 32 HE1 LYS 32 -13.342 -31.766 -31.766 222 1HZ LYS 32 HZ3 LYS 32 -13.158 -29.831 -29.831 223 2HZ LYS 32 HZ2 LYS 32 -14.324 -31.065 -31.065 224 3HZ LYS 32 HZ1 LYS 32 -12.672 -31.455 -31.455 225 HA PRO 33 HA PRO 33 -5.882 -29.236 -29.236 226 1HB PRO 33 HB2 PRO 33 -6.307 -27.126 -27.126 227 2HB PRO 33 HB1 PRO 33 -6.349 -28.817 -28.817 228 1HG PRO 33 HG2 PRO 33 -8.597 -26.965 -26.965 229 2HG PRO 33 HG1 PRO 33 -8.461 -28.168 -28.168 230 1HD PRO 33 HD2 PRO 33 -9.878 -28.572 -28.572 231 2HD PRO 33 HD1 PRO 33 -9.134 -29.886 -29.886 232 H GLY 34 HN GLY 34 -4.885 -26.745 -26.745 233 1HA GLY 34 HA2 GLY 34 -5.841 -24.530 -24.530 234 2HA GLY 34 HA1 GLY 34 -5.654 -25.607 -25.607 235 H VAL 35 HN VAL 35 -4.135 -23.253 -23.253 236 HA VAL 35 HA VAL 35 -1.406 -24.305 -24.305 237 HB VAL 35 HB VAL 35 -1.823 -22.483 -22.483 238 1HG1 VAL 35 HG13 VAL 35 -3.271 -21.272 -21.272 239 2HG1 VAL 35 HG12 VAL 35 -2.889 -20.349 -20.349 240 3HG1 VAL 35 HG11 VAL 35 -3.950 -21.756 -21.756 241 1HG2 VAL 35 HG21 VAL 35 0.258 -22.130 -22.130 242 2HG2 VAL 35 HG23 VAL 35 -0.494 -20.600 -20.600 243 3HG2 VAL 35 HG22 VAL 35 -0.657 -21.217 -21.217 244 H ILE 36 HN ILE 36 -0.104 -24.602 -24.602 245 HA ILE 36 HA ILE 36 -0.923 -23.388 -23.388 246 HB ILE 36 HB ILE 36 0.696 -25.750 -25.750 247 1HG1 ILE 36 HG12 ILE 36 -1.621 -25.244 -25.244 248 2HG1 ILE 36 HG11 ILE 36 -1.590 -26.239 -26.239 249 1HG2 ILE 36 HG23 ILE 36 0.807 -24.508 -24.508 250 2HG2 ILE 36 HG22 ILE 36 1.457 -26.093 -26.093 251 3HG2 ILE 36 HG21 ILE 36 2.151 -24.636 -24.636 252 1HD1 ILE 36 HD12 ILE 36 -0.037 -26.829 -26.829 253 2HD1 ILE 36 HD11 ILE 36 -1.548 -27.613 -27.613 254 3HD1 ILE 36 HD13 ILE 36 -0.097 -27.844 -27.844 255 H PHE 37 HN PHE 37 0.310 -21.736 -21.736 256 HA PHE 37 HA PHE 37 2.718 -20.867 -20.867 257 1HB PHE 37 HB2 PHE 37 0.961 -19.765 -19.765 258 2HB PHE 37 HB1 PHE 37 2.474 -18.976 -18.976 259 HD1 PHE 37 HD1 PHE 37 -0.900 -19.925 -19.925 260 HD2 PHE 37 HD2 PHE 37 2.721 -17.810 -17.810 261 HE1 PHE 37 HE1 PHE 37 -2.036 -18.813 -18.813 262 HE2 PHE 37 HE2 PHE 37 1.586 -16.698 -16.698 263 HZ PHE 37 HZ PHE 37 -0.793 -17.197 -17.197 264 H LEU 38 HN LEU 38 4.800 -21.115 -21.115 265 HA LEU 38 HA LEU 38 5.058 -22.588 -22.588 266 1HB LEU 38 HB2 LEU 38 6.251 -22.724 -22.724 267 2HB LEU 38 HB1 LEU 38 7.512 -22.168 -22.168 268 HG LEU 38 HG LEU 38 7.390 -24.659 -24.659 269 1HD1 LEU 38 HD11 LEU 38 6.877 -23.197 -23.197 270 2HD1 LEU 38 HD13 LEU 38 7.004 -24.956 -24.956 271 3HD1 LEU 38 HD12 LEU 38 8.355 -23.978 -23.978 272 1HD2 LEU 38 HD21 LEU 38 4.591 -24.100 -24.100 273 2HD2 LEU 38 HD23 LEU 38 5.369 -25.648 -25.648 274 3HD2 LEU 38 HD22 LEU 38 5.120 -25.121 -25.121 275 H THR 39 HN THR 39 5.617 -21.385 -21.385 276 HA THR 39 HA THR 39 6.514 -18.595 -18.595 277 HB THR 39 HB THR 39 5.921 -18.385 -18.385 278 HG1 THR 39 HG1 THR 39 6.543 -19.915 -19.915 279 1HG2 THR 39 HG22 THR 39 4.143 -20.502 -20.502 280 2HG2 THR 39 HG21 THR 39 3.709 -19.491 -19.491 281 3HG2 THR 39 HG23 THR 39 3.980 -18.759 -18.759 282 H LYS 40 HN LYS 40 8.504 -17.809 -17.809 283 HA LYS 40 HA LYS 40 10.769 -19.579 -19.579 284 1HB LYS 40 HB2 LYS 40 10.698 -17.124 -17.124 285 2HB LYS 40 HB1 LYS 40 10.516 -16.803 -16.803 286 1HG LYS 40 HG2 LYS 40 12.686 -18.512 -18.512 287 2HG LYS 40 HG1 LYS 40 12.917 -17.541 -17.541 288 1HD LYS 40 HD2 LYS 40 12.828 -15.490 -15.490 289 2HD LYS 40 HD1 LYS 40 12.340 -16.357 -16.357 290 1HE LYS 40 HE2 LYS 40 14.507 -16.787 -16.787 291 2HE LYS 40 HE1 LYS 40 14.802 -17.470 -17.470 292 1HZ LYS 40 HZ1 LYS 40 14.537 -14.553 -14.553 293 2HZ LYS 40 HZ3 LYS 40 16.036 -15.339 -15.339 294 3HZ LYS 40 HZ2 LYS 40 15.176 -15.344 -15.344 295 H LYS 41 HN LYS 41 8.746 -18.414 -18.414 296 HA LYS 41 HA LYS 41 10.529 -19.114 -19.114 297 1HB LYS 41 HB2 LYS 41 8.365 -17.601 -17.601 298 2HB LYS 41 HB1 LYS 41 7.538 -19.097 -19.097 299 1HG LYS 41 HG2 LYS 41 8.667 -19.251 -19.251 300 2HG LYS 41 HG1 LYS 41 9.901 -18.089 -18.089 301 1HD LYS 41 HD2 LYS 41 8.155 -16.314 -16.314 302 2HD LYS 41 HD1 LYS 41 6.971 -17.486 -17.486 303 1HE LYS 41 HE2 LYS 41 8.897 -17.827 -17.827 304 2HE LYS 41 HE1 LYS 41 9.155 -16.116 -16.116 305 1HZ LYS 41 HZ3 LYS 41 6.565 -16.070 -16.070 306 2HZ LYS 41 HZ2 LYS 41 6.735 -17.452 -17.452 307 3HZ LYS 41 HZ1 LYS 41 7.430 -15.979 -15.979 308 H GLY 42 HN GLY 42 8.924 -21.055 -21.055 309 1HA GLY 42 HA2 GLY 42 9.005 -23.453 -23.453 310 2HA GLY 42 HA1 GLY 42 9.282 -23.422 -23.422 311 H ARG 43 HN ARG 43 6.725 -22.363 -22.363 312 HA ARG 43 HA ARG 43 4.729 -23.879 -23.879 313 1HB ARG 43 HB2 ARG 43 5.268 -21.204 -21.204 314 2HB ARG 43 HB1 ARG 43 3.887 -21.130 -21.130 315 1HG ARG 43 HG2 ARG 43 2.475 -21.879 -21.879 316 2HG ARG 43 HG1 ARG 43 3.552 -23.212 -23.212 317 1HD ARG 43 HD2 ARG 43 4.787 -20.806 -20.806 318 2HD ARG 43 HD1 ARG 43 3.099 -20.793 -20.793 319 HE ARG 43 HE ARG 43 4.204 -23.425 -23.425 320 1HH1 ARG 43 HH11 ARG 43 2.951 -20.945 -20.945 321 2HH1 ARG 43 HH12 ARG 43 3.975 -21.121 -21.121 322 1HH2 ARG 43 HH21 ARG 43 6.132 -23.354 -23.354 323 2HH2 ARG 43 HH22 ARG 43 5.775 -22.484 -22.484 324 H GLN 44 HN GLN 44 2.441 -23.354 -23.354 325 HA GLN 44 HA GLN 44 2.796 -22.992 -22.992 326 1HB GLN 44 HB2 GLN 44 1.604 -25.202 -25.202 327 2HB GLN 44 HB1 GLN 44 3.220 -25.341 -25.341 328 1HG GLN 44 HG2 GLN 44 2.387 -26.318 -26.318 329 2HG GLN 44 HG1 GLN 44 1.304 -24.953 -24.953 330 1HE2 GLN 44 HE21 GLN 44 1.401 -27.360 -27.360 331 2HE2 GLN 44 HE22 GLN 44 -0.198 -27.888 -27.888 332 H VAL 45 HN VAL 45 0.881 -22.304 -22.304 333 HA VAL 45 HA VAL 45 -1.536 -21.997 -21.997 334 HB VAL 45 HB VAL 45 -0.126 -20.123 -20.123 335 1HG1 VAL 45 HG12 VAL 45 -3.033 -20.264 -20.264 336 2HG1 VAL 45 HG11 VAL 45 -2.281 -18.671 -18.671 337 3HG1 VAL 45 HG13 VAL 45 -2.264 -19.727 -19.727 338 1HG2 VAL 45 HG23 VAL 45 -0.906 -20.179 -20.179 339 2HG2 VAL 45 HG22 VAL 45 0.612 -19.672 -19.672 340 3HG2 VAL 45 HG21 VAL 45 -0.800 -18.617 -18.617 341 H CYS 46 HN CYS 46 -3.589 -22.120 -22.120 342 HA CYS 46 HA CYS 46 -3.341 -23.634 -23.634 343 1HB CYS 46 HB2 CYS 46 -5.293 -23.550 -23.550 344 2HB CYS 46 HB1 CYS 46 -5.815 -24.165 -24.165 345 H ALA 47 HN ALA 47 -3.876 -22.424 -22.424 346 HA ALA 47 HA ALA 47 -5.908 -20.248 -20.248 347 1HB ALA 47 HB2 ALA 47 -3.148 -20.123 -20.123 348 2HB ALA 47 HB1 ALA 47 -4.088 -19.674 -19.674 349 3HB ALA 47 HB3 ALA 47 -4.305 -18.794 -18.794 350 H LYS 48 HN LYS 48 -7.104 -19.726 -19.726 351 HA LYS 48 HA LYS 48 -7.799 -22.109 -22.109 352 1HB LYS 48 HB2 LYS 48 -8.861 -19.479 -19.479 353 2HB LYS 48 HB1 LYS 48 -9.076 -19.837 -19.837 354 1HG LYS 48 HG2 LYS 48 -10.607 -21.463 -21.463 355 2HG LYS 48 HG1 LYS 48 -9.679 -22.110 -22.110 356 1HD LYS 48 HD2 LYS 48 -11.117 -21.123 -21.123 357 2HD LYS 48 HD1 LYS 48 -10.622 -19.550 -19.550 358 1HE LYS 48 HE2 LYS 48 -12.801 -21.309 -21.309 359 2HE LYS 48 HE1 LYS 48 -13.063 -19.828 -19.828 360 1HZ LYS 48 HZ2 LYS 48 -11.426 -18.800 -18.800 361 2HZ LYS 48 HZ1 LYS 48 -11.786 -20.142 -20.142 362 3HZ LYS 48 HZ3 LYS 48 -13.020 -19.074 -19.074 363 HA PRO 49 HA PRO 49 -5.547 -21.226 -21.226 364 1HB PRO 49 HB2 PRO 49 -7.399 -21.345 -21.345 365 2HB PRO 49 HB1 PRO 49 -6.821 -22.778 -22.778 366 1HG PRO 49 HG2 PRO 49 -9.345 -21.230 -21.230 367 2HG PRO 49 HG1 PRO 49 -9.080 -22.979 -22.979 368 1HD PRO 49 HD2 PRO 49 -9.354 -21.405 -21.405 369 2HD PRO 49 HD1 PRO 49 -8.426 -22.920 -22.920 370 H SER 50 HN SER 50 -8.499 -19.301 -19.301 371 HA SER 50 HA SER 50 -7.078 -17.005 -17.005 372 1HB SER 50 HB2 SER 50 -9.946 -17.965 -17.965 373 2HB SER 50 HB1 SER 50 -9.446 -16.367 -16.367 374 HG SER 50 HG SER 50 -9.399 -17.902 -17.902 375 H GLY 51 HN GLY 51 -7.401 -17.834 -17.834 376 1HA GLY 51 HA2 GLY 51 -9.319 -16.303 -16.303 377 2HA GLY 51 HA1 GLY 51 -7.729 -16.694 -16.694 378 HA PRO 52 HA PRO 52 -8.155 -12.158 -12.158 379 1HB PRO 52 HB2 PRO 52 -9.288 -10.948 -10.948 380 2HB PRO 52 HB1 PRO 52 -10.236 -11.552 -11.552 381 1HG PRO 52 HG2 PRO 52 -9.756 -12.789 -12.789 382 2HG PRO 52 HG1 PRO 52 -11.232 -12.750 -12.750 383 1HD PRO 52 HD2 PRO 52 -9.584 -14.920 -14.920 384 2HD PRO 52 HD1 PRO 52 -10.595 -14.560 -14.560 385 H GLY 53 HN GLY 53 -5.880 -12.139 -12.139 386 1HA GLY 53 HA2 GLY 53 -4.265 -10.775 -10.775 387 2HA GLY 53 HA1 GLY 53 -4.929 -11.607 -11.607 388 H VAL 54 HN VAL 54 -5.110 -14.116 -14.116 389 HA VAL 54 HA VAL 54 -2.697 -15.390 -15.390 390 HB VAL 54 HB VAL 54 -4.883 -15.948 -15.948 391 1HG1 VAL 54 HG11 VAL 54 -2.250 -17.188 -17.188 392 2HG1 VAL 54 HG13 VAL 54 -3.534 -18.358 -18.358 393 3HG1 VAL 54 HG12 VAL 54 -3.536 -17.416 -17.416 394 1HG2 VAL 54 HG22 VAL 54 -5.141 -16.092 -16.092 395 2HG2 VAL 54 HG21 VAL 54 -5.651 -17.494 -17.494 396 3HG2 VAL 54 HG23 VAL 54 -4.100 -17.512 -17.512 397 H GLN 55 HN GLN 55 -3.627 -13.923 -13.923 398 HA GLN 55 HA GLN 55 -1.212 -14.677 -14.677 399 1HB GLN 55 HB2 GLN 55 -3.640 -13.114 -13.114 400 2HB GLN 55 HB1 GLN 55 -2.244 -12.299 -12.299 401 1HG GLN 55 HG2 GLN 55 -2.911 -15.217 -15.217 402 2HG GLN 55 HG1 GLN 55 -3.392 -13.911 -13.911 403 1HE2 GLN 55 HE21 GLN 55 -1.184 -16.251 -16.251 404 2HE2 GLN 55 HE22 GLN 55 0.165 -15.453 -15.453 405 H ASP 56 HN ASP 56 -2.094 -12.098 -12.098 406 HA ASP 56 HA ASP 56 0.090 -10.309 -10.309 407 1HB ASP 56 HB2 ASP 56 -2.015 -10.737 -10.737 408 2HB ASP 56 HB1 ASP 56 -0.586 -9.884 -9.884 409 H CYS 57 HN CYS 57 -0.385 -12.970 -12.970 410 HA CYS 57 HA CYS 57 2.160 -12.715 -12.715 411 1HB CYS 57 HB2 CYS 57 0.299 -15.062 -15.062 412 2HB CYS 57 HB1 CYS 57 1.661 -15.102 -15.102 413 H MET 58 HN MET 58 1.058 -14.665 -14.665 414 HA MET 58 HA MET 58 3.613 -15.934 -15.934 415 1HB MET 58 HB2 MET 58 1.335 -15.371 -15.371 416 2HB MET 58 HB1 MET 58 2.537 -16.655 -16.655 417 1HG MET 58 HG2 MET 58 1.521 -17.946 -17.946 418 2HG MET 58 HG1 MET 58 0.967 -16.548 -16.548 419 1HE MET 58 HE2 MET 58 0.323 -19.327 -19.327 420 2HE MET 58 HE1 MET 58 -1.408 -19.343 -19.343 421 3HE MET 58 HE3 MET 58 -0.262 -18.982 -18.982 422 H LYS 59 HN LYS 59 2.269 -12.811 -12.811 423 HA LYS 59 HA LYS 59 3.909 -12.208 -12.208 424 1HB LYS 59 HB2 LYS 59 1.818 -11.035 -11.035 425 2HB LYS 59 HB1 LYS 59 2.916 -10.267 -10.267 426 1HG LYS 59 HG2 LYS 59 2.486 -8.893 -8.893 427 2HG LYS 59 HG1 LYS 59 4.191 -9.266 -9.266 428 1HD LYS 59 HD2 LYS 59 4.311 -10.596 -10.596 429 2HD LYS 59 HD1 LYS 59 2.705 -11.275 -11.275 430 1HE LYS 59 HE2 LYS 59 2.607 -8.426 -8.426 431 2HE LYS 59 HE1 LYS 59 3.343 -9.419 -9.419 432 1HZ LYS 59 HZ3 LYS 59 1.468 -11.007 -11.007 433 2HZ LYS 59 HZ2 LYS 59 0.733 -9.863 -9.863 434 3HZ LYS 59 HZ1 LYS 59 0.985 -9.507 -9.507 435 H LYS 60 HN LYS 60 4.256 -11.346 -11.346 436 HA LYS 60 HA LYS 60 6.941 -10.302 -10.302 437 1HB LYS 60 HB2 LYS 60 5.001 -10.107 -10.107 438 2HB LYS 60 HB1 LYS 60 5.945 -11.400 -11.400 439 1HG LYS 60 HG2 LYS 60 7.145 -8.788 -8.788 440 2HG LYS 60 HG1 LYS 60 6.636 -9.073 -9.073 441 1HD LYS 60 HD2 LYS 60 8.186 -11.312 -11.312 442 2HD LYS 60 HD1 LYS 60 9.057 -9.949 -9.949 443 1HE LYS 60 HE2 LYS 60 8.113 -10.139 -10.139 444 2HE LYS 60 HE1 LYS 60 9.790 -10.284 -10.284 445 1HZ LYS 60 HZ2 LYS 60 8.645 -7.998 -7.998 446 2HZ LYS 60 HZ1 LYS 60 8.329 -7.935 -7.935 447 3HZ LYS 60 HZ3 LYS 60 9.925 -8.072 -8.072 448 H LEU 61 HN LEU 61 5.576 -13.493 -13.493 449 HA LEU 61 HA LEU 61 8.034 -14.729 -14.729 450 1HB LEU 61 HB2 LEU 61 5.252 -15.424 -15.424 451 2HB LEU 61 HB1 LEU 61 6.397 -16.715 -16.715 452 HG LEU 61 HG LEU 61 7.187 -16.778 -16.778 453 1HD1 LEU 61 HD12 LEU 61 6.122 -14.033 -14.033 454 2HD1 LEU 61 HD11 LEU 61 5.802 -14.941 -14.941 455 3HD1 LEU 61 HD13 LEU 61 7.460 -14.731 -14.731 456 1HD2 LEU 61 HD21 LEU 61 4.227 -16.605 -16.605 457 2HD2 LEU 61 HD23 LEU 61 5.218 -17.980 -17.980 458 3HD2 LEU 61 HD22 LEU 61 4.844 -16.709 -16.709 459 H LYS 62 HN LYS 62 7.429 -13.379 -13.379 460 HA LYS 62 HA LYS 62 8.806 -15.549 -15.549 461 1HB LYS 62 HB2 LYS 62 6.499 -13.999 -13.999 462 2HB LYS 62 HB1 LYS 62 7.714 -13.351 -13.351 463 1HG LYS 62 HG2 LYS 62 8.165 -15.615 -15.615 464 2HG LYS 62 HG1 LYS 62 6.979 -16.282 -16.282 465 1HD LYS 62 HD2 LYS 62 5.832 -14.100 -14.100 466 2HD LYS 62 HD1 LYS 62 6.488 -15.336 -15.336 467 1HE LYS 62 HE2 LYS 62 4.586 -16.519 -16.519 468 2HE LYS 62 HE1 LYS 62 5.191 -16.771 -16.771 469 1HZ LYS 62 HZ3 LYS 62 3.863 -14.247 -14.247 470 2HZ LYS 62 HZ2 LYS 62 2.954 -15.582 -15.582 471 3HZ LYS 62 HZ1 LYS 62 4.099 -14.869 -14.869 472 HA PRO 63 HA PRO 63 12.054 -12.373 -12.373 473 1HB PRO 63 HB2 PRO 63 14.120 -14.166 -14.166 474 2HB PRO 63 HB1 PRO 63 13.254 -13.793 -13.793 475 1HG PRO 63 HG2 PRO 63 12.972 -16.127 -16.127 476 2HG PRO 63 HG1 PRO 63 12.899 -16.064 -16.064 477 1HD PRO 63 HD2 PRO 63 10.696 -16.219 -16.219 478 2HD PRO 63 HD1 PRO 63 10.678 -15.517 -15.517 479 H TYR 64 HN TYR 64 11.484 -11.629 -11.629 480 HA TYR 64 HA TYR 64 13.253 -12.783 -12.783 481 1HB TYR 64 HB2 TYR 64 10.389 -12.991 -12.991 482 2HB TYR 64 HB1 TYR 64 10.782 -12.025 -12.025 483 HD1 TYR 64 HD1 TYR 64 13.044 -13.042 -13.042 484 HD2 TYR 64 HD2 TYR 64 10.113 -15.252 -15.252 485 HE1 TYR 64 HE1 TYR 64 13.664 -15.105 -15.105 486 HE2 TYR 64 HE2 TYR 64 10.730 -17.314 -17.314 487 HH TYR 64 HH TYR 64 11.827 -18.085 -18.085 488 H SER 65 HN SER 65 14.347 -10.655 -10.655 489 HA SER 65 HA SER 65 13.956 -8.595 -8.595 490 1HB SER 65 HB2 SER 65 11.915 -8.083 -8.083 491 2HB SER 65 HB1 SER 65 12.640 -8.293 -8.293 492 HG SER 65 HG SER 65 12.702 -6.132 -6.132 493 H ILE 66 HN ILE 66 15.869 -7.463 -7.463 494 HA ILE 66 HA ILE 66 17.723 -7.725 -7.725 495 HB ILE 66 HB ILE 66 18.132 -6.898 -6.898 496 1HG1 ILE 66 HG12 ILE 66 18.801 -9.492 -9.492 497 2HG1 ILE 66 HG11 ILE 66 17.427 -9.268 -9.268 498 1HG2 ILE 66 HG22 ILE 66 19.781 -6.523 -6.523 499 2HG2 ILE 66 HG21 ILE 66 20.473 -7.878 -7.878 500 3HG2 ILE 66 HG23 ILE 66 20.234 -6.326 -6.326 501 1HD1 ILE 66 HD12 ILE 66 19.947 -8.343 -8.343 502 2HD1 ILE 66 HD11 ILE 66 19.975 -10.061 -10.061 503 3HD1 ILE 66 HD13 ILE 66 18.730 -9.427 -9.427 Start of MODEL 23 1 1H HIS 1 HT2 HIS 1 10.963 -33.604 -33.604 2 2H HIS 1 HT1 HIS 1 11.574 -34.408 -34.408 3 3H HIS 1 HT3 HIS 1 12.043 -32.810 -32.810 4 HA HIS 1 HA HIS 1 9.908 -31.957 -31.957 5 1HB HIS 1 HB2 HIS 1 11.129 -34.040 -34.040 6 2HB HIS 1 HB1 HIS 1 9.692 -33.167 -33.167 7 HD1 HIS 1 HD1 HIS 1 13.226 -32.937 -32.937 8 HD2 HIS 1 HD2 HIS 1 10.209 -30.146 -30.146 9 HE1 HIS 1 HE1 HIS 1 14.213 -30.665 -30.665 10 H PHE 2 HN PHE 2 8.716 -33.199 -33.199 11 HA PHE 2 HA PHE 2 6.639 -34.935 -34.935 12 1HB PHE 2 HB2 PHE 2 8.486 -36.234 -36.234 13 2HB PHE 2 HB1 PHE 2 7.985 -35.472 -35.472 14 HD1 PHE 2 HD1 PHE 2 6.105 -36.908 -36.908 15 HD2 PHE 2 HD2 PHE 2 6.796 -36.972 -36.972 16 HE1 PHE 2 HE1 PHE 2 4.317 -38.607 -38.607 17 HE2 PHE 2 HE2 PHE 2 5.009 -38.670 -38.670 18 HZ PHE 2 HZ PHE 2 3.770 -39.488 -39.488 19 H ALA 3 HN ALA 3 5.404 -32.843 -32.843 20 HA ALA 3 HA ALA 3 4.649 -32.133 -32.133 21 1HB ALA 3 HB1 ALA 3 4.427 -30.745 -30.745 22 2HB ALA 3 HB3 ALA 3 3.715 -30.096 -30.096 23 3HB ALA 3 HB2 ALA 3 5.463 -30.296 -30.296 24 H ALA 4 HN ALA 4 2.692 -32.851 -32.851 25 HA ALA 4 HA ALA 4 0.479 -33.241 -33.241 26 1HB ALA 4 HB1 ALA 4 1.788 -35.361 -35.361 27 2HB ALA 4 HB3 ALA 4 1.234 -35.214 -35.214 28 3HB ALA 4 HB2 ALA 4 0.066 -35.451 -35.451 29 H ASP 5 HN ASP 5 1.460 -31.671 -31.671 30 HA ASP 5 HA ASP 5 -0.563 -32.082 -32.082 31 1HB ASP 5 HB2 ASP 5 1.223 -29.799 -29.799 32 2HB ASP 5 HB1 ASP 5 0.085 -29.607 -29.607 33 H CYS 6 HN CYS 6 -2.651 -32.226 -32.226 34 HA CYS 6 HA CYS 6 -3.612 -29.954 -29.954 35 1HB CYS 6 HB2 CYS 6 -4.961 -32.514 -32.514 36 2HB CYS 6 HB1 CYS 6 -5.522 -31.443 -31.443 37 H CYS 7 HN CYS 7 -5.915 -29.159 -29.159 38 HA CYS 7 HA CYS 7 -6.397 -29.142 -29.142 39 1HB CYS 7 HB2 CYS 7 -5.119 -27.088 -27.088 40 2HB CYS 7 HB1 CYS 7 -6.686 -26.495 -26.495 41 H THR 8 HN THR 8 -8.582 -28.820 -28.820 42 HA THR 8 HA THR 8 -10.459 -28.759 -28.759 43 HB THR 8 HB THR 8 -10.551 -30.624 -30.624 44 HG1 THR 8 HG1 THR 8 -12.839 -29.155 -29.155 45 1HG2 THR 8 HG23 THR 8 -10.592 -28.323 -28.323 46 2HG2 THR 8 HG22 THR 8 -11.718 -29.621 -29.621 47 3HG2 THR 8 HG21 THR 8 -9.993 -29.961 -29.961 48 H SER 9 HN SER 9 -9.322 -26.944 -26.944 49 HA SER 9 HA SER 9 -11.411 -24.848 -24.848 50 1HB SER 9 HB2 SER 9 -11.258 -26.283 -26.283 51 2HB SER 9 HB1 SER 9 -9.958 -25.153 -25.153 52 HG SER 9 HG SER 9 -12.527 -24.342 -24.342 53 H TYR 10 HN TYR 10 -10.285 -22.721 -22.721 54 HA TYR 10 HA TYR 10 -7.426 -22.560 -22.560 55 1HB TYR 10 HB2 TYR 10 -9.692 -20.846 -20.846 56 2HB TYR 10 HB1 TYR 10 -7.984 -20.490 -20.490 57 HD1 TYR 10 HD1 TYR 10 -6.665 -22.894 -22.894 58 HD2 TYR 10 HD2 TYR 10 -10.687 -21.783 -21.783 59 HE1 TYR 10 HE1 TYR 10 -6.626 -24.487 -24.487 60 HE2 TYR 10 HE2 TYR 10 -10.652 -23.373 -23.373 61 HH TYR 10 HH TYR 10 -7.733 -25.278 -25.278 62 H ILE 11 HN ILE 11 -6.943 -19.930 -19.930 63 HA ILE 11 HA ILE 11 -7.050 -19.589 -19.589 64 HB ILE 11 HB ILE 11 -5.768 -17.637 -17.637 65 1HG1 ILE 11 HG12 ILE 11 -7.512 -16.660 -16.660 66 2HG1 ILE 11 HG11 ILE 11 -5.835 -16.361 -16.361 67 1HG2 ILE 11 HG22 ILE 11 -4.797 -19.838 -19.838 68 2HG2 ILE 11 HG21 ILE 11 -5.238 -19.297 -19.297 69 3HG2 ILE 11 HG23 ILE 11 -4.087 -18.363 -18.363 70 1HD1 ILE 11 HD13 ILE 11 -5.976 -18.411 -18.411 71 2HD1 ILE 11 HD12 ILE 11 -7.715 -18.413 -18.413 72 3HD1 ILE 11 HD11 ILE 11 -6.964 -17.042 -17.042 73 H SER 12 HN SER 12 -7.915 -17.377 -17.377 74 HA SER 12 HA SER 12 -10.747 -17.135 -17.135 75 1HB SER 12 HB2 SER 12 -10.345 -15.650 -15.650 76 2HB SER 12 HB1 SER 12 -10.944 -17.305 -17.305 77 HG SER 12 HG SER 12 -8.816 -16.574 -16.574 78 H GLN 13 HN GLN 13 -7.815 -15.521 -15.521 79 HA GLN 13 HA GLN 13 -9.250 -13.051 -13.051 80 1HB GLN 13 HB2 GLN 13 -7.523 -11.707 -11.707 81 2HB GLN 13 HB1 GLN 13 -8.424 -12.719 -12.719 82 1HG GLN 13 HG2 GLN 13 -6.617 -14.048 -14.048 83 2HG GLN 13 HG1 GLN 13 -6.011 -13.962 -13.962 84 1HE2 GLN 13 HE21 GLN 13 -3.861 -13.553 -13.553 85 2HE2 GLN 13 HE22 GLN 13 -3.501 -11.958 -11.958 86 H SER 14 HN SER 14 -7.212 -11.569 -11.569 87 HA SER 14 HA SER 14 -6.383 -12.847 -12.847 88 1HB SER 14 HB2 SER 14 -4.746 -10.879 -10.879 89 2HB SER 14 HB1 SER 14 -6.443 -10.451 -10.451 90 HG SER 14 HG SER 14 -4.921 -11.001 -11.001 91 H ILE 15 HN ILE 15 -4.204 -13.593 -13.593 92 HA ILE 15 HA ILE 15 -2.946 -15.237 -15.237 93 HB ILE 15 HB ILE 15 -2.445 -14.468 -14.468 94 1HG1 ILE 15 HG12 ILE 15 -4.149 -16.163 -16.163 95 2HG1 ILE 15 HG11 ILE 15 -2.766 -16.915 -16.915 96 1HG2 ILE 15 HG21 ILE 15 -0.226 -14.626 -14.626 97 2HG2 ILE 15 HG23 ILE 15 -0.655 -16.226 -16.226 98 3HG2 ILE 15 HG22 ILE 15 -0.488 -15.951 -15.951 99 1HD1 ILE 15 HD11 ILE 15 -2.006 -17.092 -17.092 100 2HD1 ILE 15 HD13 ILE 15 -3.758 -17.243 -17.243 101 3HD1 ILE 15 HD12 ILE 15 -2.861 -18.372 -18.372 102 HA PRO 16 HA PRO 16 -0.245 -12.035 -12.035 103 1HB PRO 16 HB2 PRO 16 1.145 -13.582 -13.582 104 2HB PRO 16 HB1 PRO 16 -0.510 -13.026 -13.026 105 1HG PRO 16 HG2 PRO 16 0.474 -15.692 -15.692 106 2HG PRO 16 HG1 PRO 16 -0.934 -15.262 -15.262 107 1HD PRO 16 HD2 PRO 16 -0.955 -15.998 -15.998 108 2HD PRO 16 HD1 PRO 16 -2.285 -15.228 -15.228 109 H CYS 17 HN CYS 17 0.869 -12.024 -12.024 110 HA CYS 17 HA CYS 17 3.005 -13.811 -13.811 111 1HB CYS 17 HB2 CYS 17 1.726 -11.462 -11.462 112 2HB CYS 17 HB1 CYS 17 3.465 -11.167 -11.167 113 H SER 18 HN SER 18 2.826 -11.054 -11.054 114 HA SER 18 HA SER 18 5.641 -10.459 -10.459 115 1HB SER 18 HB2 SER 18 3.130 -9.663 -9.663 116 2HB SER 18 HB1 SER 18 4.339 -9.847 -9.847 117 HG SER 18 HG SER 18 5.684 -8.643 -8.643 118 H LEU 19 HN LEU 19 4.063 -13.260 -13.260 119 HA LEU 19 HA LEU 19 6.139 -13.913 -13.913 120 1HB LEU 19 HB2 LEU 19 3.191 -13.957 -13.957 121 2HB LEU 19 HB1 LEU 19 3.944 -15.445 -15.445 122 HG LEU 19 HG LEU 19 3.696 -13.949 -13.949 123 1HD1 LEU 19 HD12 LEU 19 6.184 -14.950 -14.950 124 2HD1 LEU 19 HD11 LEU 19 6.503 -13.358 -13.358 125 3HD1 LEU 19 HD13 LEU 19 5.719 -14.601 -14.601 126 1HD2 LEU 19 HD23 LEU 19 3.847 -11.922 -11.922 127 2HD2 LEU 19 HD22 LEU 19 4.127 -11.697 -11.697 128 3HD2 LEU 19 HD21 LEU 19 5.494 -11.877 -11.877 129 H MET 20 HN MET 20 5.938 -14.443 -14.443 130 HA MET 20 HA MET 20 6.289 -17.397 -17.397 131 1HB MET 20 HB2 MET 20 4.936 -16.519 -16.519 132 2HB MET 20 HB1 MET 20 4.564 -17.877 -17.877 133 1HG MET 20 HG2 MET 20 3.866 -15.041 -15.041 134 2HG MET 20 HG1 MET 20 2.791 -16.023 -16.023 135 1HE MET 20 HE3 MET 20 0.921 -16.331 -16.331 136 2HE MET 20 HE2 MET 20 1.270 -18.055 -18.055 137 3HE MET 20 HE1 MET 20 0.622 -17.378 -17.378 138 H LYS 21 HN LYS 21 7.883 -18.146 -18.146 139 HA LYS 21 HA LYS 21 9.484 -16.055 -16.055 140 1HB LYS 21 HB2 LYS 21 11.229 -17.707 -17.707 141 2HB LYS 21 HB1 LYS 21 10.386 -17.781 -17.781 142 1HG LYS 21 HG2 LYS 21 9.168 -19.741 -19.741 143 2HG LYS 21 HG1 LYS 21 9.695 -19.579 -19.579 144 1HD LYS 21 HD2 LYS 21 11.884 -19.723 -19.723 145 2HD LYS 21 HD1 LYS 21 10.920 -21.192 -21.192 146 1HE LYS 21 HE2 LYS 21 11.436 -20.165 -20.165 147 2HE LYS 21 HE1 LYS 21 12.969 -20.296 -20.296 148 1HZ LYS 21 HZ1 LYS 21 12.187 -22.531 -22.531 149 2HZ LYS 21 HZ3 LYS 21 10.887 -22.396 -22.396 150 3HZ LYS 21 HZ2 LYS 21 12.481 -22.433 -22.433 151 H SER 22 HN SER 22 7.497 -18.895 -18.895 152 HA SER 22 HA SER 22 7.606 -18.160 -18.160 153 1HB SER 22 HB2 SER 22 9.463 -19.862 -19.862 154 2HB SER 22 HB1 SER 22 8.145 -21.018 -21.018 155 HG SER 22 HG SER 22 8.024 -19.646 -19.646 156 H TYR 23 HN TYR 23 6.238 -20.087 -20.087 157 HA TYR 23 HA TYR 23 3.960 -20.972 -20.972 158 1HB TYR 23 HB2 TYR 23 2.359 -19.739 -19.739 159 2HB TYR 23 HB1 TYR 23 3.610 -18.596 -18.596 160 HD1 TYR 23 HD1 TYR 23 2.529 -20.824 -20.824 161 HD2 TYR 23 HD2 TYR 23 4.917 -17.458 -17.458 162 HE1 TYR 23 HE1 TYR 23 3.017 -20.335 -20.335 163 HE2 TYR 23 HE2 TYR 23 5.408 -16.967 -16.967 164 HH TYR 23 HH TYR 23 4.163 -17.482 -17.482 165 H PHE 24 HN PHE 24 2.662 -22.642 -22.642 166 HA PHE 24 HA PHE 24 3.695 -23.510 -23.510 167 1HB PHE 24 HB2 PHE 24 4.473 -25.601 -25.601 168 2HB PHE 24 HB1 PHE 24 5.030 -24.475 -24.475 169 HD1 PHE 24 HD1 PHE 24 2.205 -26.799 -26.799 170 HD2 PHE 24 HD2 PHE 24 4.414 -24.767 -24.767 171 HE1 PHE 24 HE1 PHE 24 0.969 -28.071 -28.071 172 HE2 PHE 24 HE2 PHE 24 3.173 -26.042 -26.042 173 HZ PHE 24 HZ PHE 24 1.451 -27.693 -27.693 174 H GLU 25 HN GLU 25 2.187 -24.748 -24.748 175 HA GLU 25 HA GLU 25 -0.574 -24.740 -24.740 176 1HB GLU 25 HB2 GLU 25 -1.125 -25.239 -25.239 177 2HB GLU 25 HB1 GLU 25 0.010 -23.891 -23.891 178 1HG GLU 25 HG2 GLU 25 1.319 -25.069 -25.069 179 2HG GLU 25 HG1 GLU 25 1.647 -26.152 -26.152 180 H THR 26 HN THR 26 -1.778 -26.674 -26.674 181 HA THR 26 HA THR 26 -0.285 -29.043 -29.043 182 HB THR 26 HB THR 26 -2.668 -29.955 -29.955 183 HG1 THR 26 HG1 THR 26 -4.288 -28.376 -28.376 184 1HG2 THR 26 HG21 THR 26 -1.719 -27.425 -27.425 185 2HG2 THR 26 HG23 THR 26 -3.283 -28.121 -28.121 186 3HG2 THR 26 HG22 THR 26 -1.807 -29.056 -29.056 187 H SER 27 HN SER 27 -1.446 -31.226 -31.226 188 HA SER 27 HA SER 27 -0.790 -31.127 -31.127 189 1HB SER 27 HB2 SER 27 -1.330 -33.464 -33.464 190 2HB SER 27 HB1 SER 27 -0.563 -33.538 -33.538 191 HG SER 27 HG SER 27 0.619 -33.202 -33.202 192 H SER 28 HN SER 28 -2.296 -31.768 -31.768 193 HA SER 28 HA SER 28 -5.092 -31.367 -31.367 194 1HB SER 28 HB2 SER 28 -3.379 -32.274 -32.274 195 2HB SER 28 HB1 SER 28 -5.131 -32.432 -32.432 196 HG SER 28 HG SER 28 -3.548 -30.134 -30.134 197 H GLU 29 HN GLU 29 -3.113 -34.021 -34.021 198 HA GLU 29 HA GLU 29 -4.946 -36.180 -36.180 199 1HB GLU 29 HB2 GLU 29 -2.345 -36.075 -36.075 200 2HB GLU 29 HB1 GLU 29 -2.810 -36.307 -36.307 201 1HG GLU 29 HG2 GLU 29 -4.352 -38.201 -38.201 202 2HG GLU 29 HG1 GLU 29 -2.945 -38.198 -38.198 203 H CYS 30 HN CYS 30 -4.578 -33.981 -33.981 204 HA CYS 30 HA CYS 30 -5.951 -35.586 -35.586 205 1HB CYS 30 HB2 CYS 30 -4.626 -33.056 -33.056 206 2HB CYS 30 HB1 CYS 30 -6.192 -32.786 -32.786 207 H SER 31 HN SER 31 -8.136 -35.279 -35.279 208 HA SER 31 HA SER 31 -10.134 -34.999 -34.999 209 1HB SER 31 HB2 SER 31 -11.467 -34.536 -34.536 210 2HB SER 31 HB1 SER 31 -10.937 -36.141 -36.141 211 HG SER 31 HG SER 31 -10.039 -34.526 -34.526 212 H LYS 32 HN LYS 32 -8.482 -32.650 -32.650 213 HA LYS 32 HA LYS 32 -10.026 -30.480 -30.480 214 1HB LYS 32 HB2 LYS 32 -10.000 -31.225 -31.225 215 2HB LYS 32 HB1 LYS 32 -9.868 -29.502 -29.502 216 1HG LYS 32 HG2 LYS 32 -11.857 -30.418 -30.418 217 2HG LYS 32 HG1 LYS 32 -12.184 -31.253 -31.253 218 1HD LYS 32 HD2 LYS 32 -11.795 -28.883 -28.883 219 2HD LYS 32 HD1 LYS 32 -12.132 -28.300 -28.300 220 1HE LYS 32 HE2 LYS 32 -14.294 -29.506 -29.506 221 2HE LYS 32 HE1 LYS 32 -13.954 -30.097 -30.097 222 1HZ LYS 32 HZ2 LYS 32 -13.461 -27.548 -27.548 223 2HZ LYS 32 HZ1 LYS 32 -14.558 -27.376 -27.376 224 3HZ LYS 32 HZ3 LYS 32 -15.039 -28.164 -28.164 225 HA PRO 33 HA PRO 33 -5.880 -28.949 -28.949 226 1HB PRO 33 HB2 PRO 33 -6.485 -26.488 -26.488 227 2HB PRO 33 HB1 PRO 33 -6.514 -27.975 -27.975 228 1HG PRO 33 HG2 PRO 33 -8.764 -26.453 -26.453 229 2HG PRO 33 HG1 PRO 33 -8.685 -27.296 -27.296 230 1HD PRO 33 HD2 PRO 33 -9.914 -28.297 -28.297 231 2HD PRO 33 HD1 PRO 33 -9.267 -29.302 -29.302 232 H GLY 34 HN GLY 34 -4.982 -26.463 -26.463 233 1HA GLY 34 HA2 GLY 34 -5.997 -24.765 -24.765 234 2HA GLY 34 HA1 GLY 34 -5.445 -26.125 -26.125 235 H VAL 35 HN VAL 35 -4.436 -23.236 -23.236 236 HA VAL 35 HA VAL 35 -1.635 -23.876 -23.876 237 HB VAL 35 HB VAL 35 -3.326 -21.375 -21.375 238 1HG1 VAL 35 HG11 VAL 35 -0.323 -21.640 -21.640 239 2HG1 VAL 35 HG13 VAL 35 -1.184 -20.225 -20.225 240 3HG1 VAL 35 HG12 VAL 35 -1.244 -20.624 -20.624 241 1HG2 VAL 35 HG22 VAL 35 -2.389 -23.195 -23.195 242 2HG2 VAL 35 HG21 VAL 35 -3.609 -21.926 -21.926 243 3HG2 VAL 35 HG23 VAL 35 -1.906 -21.533 -21.533 244 H ILE 36 HN ILE 36 -0.222 -24.187 -24.187 245 HA ILE 36 HA ILE 36 -0.900 -22.951 -22.951 246 HB ILE 36 HB ILE 36 0.509 -25.445 -25.445 247 1HG1 ILE 36 HG12 ILE 36 -1.721 -24.783 -24.783 248 2HG1 ILE 36 HG11 ILE 36 -1.841 -25.684 -25.684 249 1HG2 ILE 36 HG21 ILE 36 0.704 -24.187 -24.187 250 2HG2 ILE 36 HG23 ILE 36 1.248 -25.813 -25.813 251 3HG2 ILE 36 HG22 ILE 36 2.037 -24.410 -24.410 252 1HD1 ILE 36 HD13 ILE 36 -0.266 -26.565 -26.565 253 2HD1 ILE 36 HD12 ILE 36 -1.845 -27.195 -27.195 254 3HD1 ILE 36 HD11 ILE 36 -0.440 -27.474 -27.474 255 H PHE 37 HN PHE 37 0.520 -21.477 -21.477 256 HA PHE 37 HA PHE 37 2.930 -20.776 -20.776 257 1HB PHE 37 HB2 PHE 37 1.456 -19.512 -19.512 258 2HB PHE 37 HB1 PHE 37 2.909 -18.817 -18.817 259 HD1 PHE 37 HD1 PHE 37 -0.550 -19.969 -19.969 260 HD2 PHE 37 HD2 PHE 37 2.760 -17.463 -17.463 261 HE1 PHE 37 HE1 PHE 37 -1.937 -18.908 -18.908 262 HE2 PHE 37 HE2 PHE 37 1.373 -16.406 -16.406 263 HZ PHE 37 HZ PHE 37 -0.975 -17.124 -17.124 264 H LEU 38 HN LEU 38 5.019 -21.116 -21.116 265 HA LEU 38 HA LEU 38 5.272 -22.751 -22.751 266 1HB LEU 38 HB2 LEU 38 6.633 -22.402 -22.402 267 2HB LEU 38 HB1 LEU 38 7.754 -22.512 -22.512 268 HG LEU 38 HG LEU 38 5.474 -24.466 -24.466 269 1HD1 LEU 38 HD11 LEU 38 7.276 -24.255 -24.255 270 2HD1 LEU 38 HD13 LEU 38 8.269 -25.162 -25.162 271 3HD1 LEU 38 HD12 LEU 38 6.739 -25.833 -25.833 272 1HD2 LEU 38 HD21 LEU 38 7.921 -24.189 -24.189 273 2HD2 LEU 38 HD23 LEU 38 6.310 -24.756 -24.756 274 3HD2 LEU 38 HD22 LEU 38 7.406 -25.815 -25.815 275 H THR 39 HN THR 39 5.789 -21.689 -21.689 276 HA THR 39 HA THR 39 7.001 -18.983 -18.983 277 HB THR 39 HB THR 39 6.125 -18.740 -18.740 278 HG1 THR 39 HG1 THR 39 6.793 -20.316 -20.316 279 1HG2 THR 39 HG22 THR 39 4.395 -19.345 -19.345 280 2HG2 THR 39 HG21 THR 39 4.256 -20.884 -20.884 281 3HG2 THR 39 HG23 THR 39 3.867 -19.376 -19.376 282 H LYS 40 HN LYS 40 9.061 -18.548 -18.548 283 HA LYS 40 HA LYS 40 10.989 -20.673 -20.673 284 1HB LYS 40 HB2 LYS 40 11.288 -18.226 -18.226 285 2HB LYS 40 HB1 LYS 40 11.198 -17.849 -17.849 286 1HG LYS 40 HG2 LYS 40 13.305 -18.593 -18.593 287 2HG LYS 40 HG1 LYS 40 13.053 -20.040 -20.040 288 1HD LYS 40 HD2 LYS 40 13.865 -19.061 -19.061 289 2HD LYS 40 HD1 LYS 40 13.209 -17.478 -17.478 290 1HE LYS 40 HE2 LYS 40 15.044 -17.592 -17.592 291 2HE LYS 40 HE1 LYS 40 15.826 -18.708 -18.708 292 1HZ LYS 40 HZ1 LYS 40 14.644 -16.253 -16.253 293 2HZ LYS 40 HZ3 LYS 40 16.100 -16.098 -16.098 294 3HZ LYS 40 HZ2 LYS 40 16.024 -17.102 -17.102 295 H LYS 41 HN LYS 41 8.910 -19.166 -19.166 296 HA LYS 41 HA LYS 41 10.430 -19.837 -19.837 297 1HB LYS 41 HB2 LYS 41 7.870 -18.683 -18.683 298 2HB LYS 41 HB1 LYS 41 7.709 -19.710 -19.710 299 1HG LYS 41 HG2 LYS 41 10.055 -18.304 -18.304 300 2HG LYS 41 HG1 LYS 41 9.007 -17.103 -17.103 301 1HD LYS 41 HD2 LYS 41 7.884 -16.892 -16.892 302 2HD LYS 41 HD1 LYS 41 7.407 -18.586 -18.586 303 1HE LYS 41 HE2 LYS 41 8.569 -18.444 -18.444 304 2HE LYS 41 HE1 LYS 41 9.784 -19.087 -19.087 305 1HZ LYS 41 HZ2 LYS 41 10.528 -16.822 -16.822 306 2HZ LYS 41 HZ1 LYS 41 9.371 -16.211 -16.211 307 3HZ LYS 41 HZ3 LYS 41 10.646 -17.172 -17.172 308 H GLY 42 HN GLY 42 8.911 -21.811 -21.811 309 1HA GLY 42 HA2 GLY 42 8.814 -24.199 -24.199 310 2HA GLY 42 HA1 GLY 42 8.958 -24.079 -24.079 311 H ARG 43 HN ARG 43 6.651 -22.777 -22.777 312 HA ARG 43 HA ARG 43 4.447 -24.232 -24.232 313 1HB ARG 43 HB2 ARG 43 5.042 -21.842 -21.842 314 2HB ARG 43 HB1 ARG 43 4.171 -21.275 -21.275 315 1HG ARG 43 HG2 ARG 43 2.277 -21.573 -21.573 316 2HG ARG 43 HG1 ARG 43 2.548 -23.305 -23.305 317 1HD ARG 43 HD2 ARG 43 2.356 -23.003 -23.003 318 2HD ARG 43 HD1 ARG 43 4.107 -23.066 -23.066 319 HE ARG 43 HE ARG 43 3.240 -20.367 -20.367 320 1HH1 ARG 43 HH11 ARG 43 5.237 -21.965 -21.965 321 2HH1 ARG 43 HH12 ARG 43 4.778 -21.214 -21.214 322 1HH2 ARG 43 HH21 ARG 43 1.925 -19.744 -19.744 323 2HH2 ARG 43 HH22 ARG 43 2.902 -19.961 -19.961 324 H GLN 44 HN GLN 44 2.322 -23.733 -23.733 325 HA GLN 44 HA GLN 44 2.856 -23.043 -23.043 326 1HB GLN 44 HB2 GLN 44 1.370 -25.553 -25.553 327 2HB GLN 44 HB1 GLN 44 2.104 -25.150 -25.150 328 1HG GLN 44 HG2 GLN 44 4.338 -25.096 -25.096 329 2HG GLN 44 HG1 GLN 44 3.435 -26.042 -26.042 330 1HE2 GLN 44 HE21 GLN 44 4.308 -26.020 -26.020 331 2HE2 GLN 44 HE22 GLN 44 4.273 -27.708 -27.708 332 H VAL 45 HN VAL 45 1.127 -21.978 -21.978 333 HA VAL 45 HA VAL 45 -1.387 -21.789 -21.789 334 HB VAL 45 HB VAL 45 0.078 -19.979 -19.979 335 1HG1 VAL 45 HG13 VAL 45 -2.835 -20.047 -20.047 336 2HG1 VAL 45 HG12 VAL 45 -2.049 -18.472 -18.472 337 3HG1 VAL 45 HG11 VAL 45 -2.042 -19.555 -19.555 338 1HG2 VAL 45 HG23 VAL 45 -0.507 -20.097 -20.097 339 2HG2 VAL 45 HG22 VAL 45 0.801 -19.273 -19.273 340 3HG2 VAL 45 HG21 VAL 45 -0.785 -18.514 -18.514 341 H CYS 46 HN CYS 46 -3.423 -21.901 -21.901 342 HA CYS 46 HA CYS 46 -3.164 -23.272 -23.272 343 1HB CYS 46 HB2 CYS 46 -4.589 -23.877 -23.877 344 2HB CYS 46 HB1 CYS 46 -5.591 -24.032 -24.032 345 H ALA 47 HN ALA 47 -4.069 -22.082 -22.082 346 HA ALA 47 HA ALA 47 -6.387 -20.307 -20.307 347 1HB ALA 47 HB1 ALA 47 -3.968 -19.301 -19.301 348 2HB ALA 47 HB3 ALA 47 -4.281 -19.526 -19.526 349 3HB ALA 47 HB2 ALA 47 -5.340 -18.494 -18.494 350 H LYS 48 HN LYS 48 -7.784 -19.883 -19.883 351 HA LYS 48 HA LYS 48 -8.401 -22.097 -22.097 352 1HB LYS 48 HB2 LYS 48 -9.212 -19.362 -19.362 353 2HB LYS 48 HB1 LYS 48 -9.214 -19.711 -19.711 354 1HG LYS 48 HG2 LYS 48 -10.446 -21.899 -21.899 355 2HG LYS 48 HG1 LYS 48 -10.746 -21.094 -21.094 356 1HD LYS 48 HD2 LYS 48 -11.390 -19.751 -19.751 357 2HD LYS 48 HD1 LYS 48 -12.538 -20.837 -20.837 358 1HE LYS 48 HE2 LYS 48 -13.187 -19.129 -19.129 359 2HE LYS 48 HE1 LYS 48 -11.542 -19.050 -19.050 360 1HZ LYS 48 HZ2 LYS 48 -11.108 -17.945 -17.945 361 2HZ LYS 48 HZ1 LYS 48 -12.746 -17.520 -17.520 362 3HZ LYS 48 HZ3 LYS 48 -11.629 -17.022 -17.022 363 HA PRO 49 HA PRO 49 -5.817 -21.852 -21.852 364 1HB PRO 49 HB2 PRO 49 -7.516 -21.725 -21.725 365 2HB PRO 49 HB1 PRO 49 -7.291 -23.194 -23.194 366 1HG PRO 49 HG2 PRO 49 -9.474 -21.164 -21.164 367 2HG PRO 49 HG1 PRO 49 -9.570 -22.925 -22.925 368 1HD PRO 49 HD2 PRO 49 -9.683 -21.251 -21.251 369 2HD PRO 49 HD1 PRO 49 -9.045 -22.906 -22.906 370 H SER 50 HN SER 50 -8.487 -19.494 -19.494 371 HA SER 50 HA SER 50 -6.473 -17.482 -17.482 372 1HB SER 50 HB2 SER 50 -9.115 -18.384 -18.384 373 2HB SER 50 HB1 SER 50 -8.781 -16.654 -16.654 374 HG SER 50 HG SER 50 -8.013 -17.670 -17.670 375 H GLY 51 HN GLY 51 -7.350 -17.949 -17.949 376 1HA GLY 51 HA2 GLY 51 -9.439 -16.392 -16.392 377 2HA GLY 51 HA1 GLY 51 -7.906 -16.564 -16.564 378 HA PRO 52 HA PRO 52 -8.568 -12.259 -12.259 379 1HB PRO 52 HB2 PRO 52 -9.710 -10.926 -10.926 380 2HB PRO 52 HB1 PRO 52 -10.655 -11.707 -11.707 381 1HG PRO 52 HG2 PRO 52 -10.002 -12.682 -12.682 382 2HG PRO 52 HG1 PRO 52 -11.521 -12.797 -12.797 383 1HD PRO 52 HD2 PRO 52 -9.783 -14.872 -14.872 384 2HD PRO 52 HD1 PRO 52 -10.829 -14.648 -14.648 385 H GLY 53 HN GLY 53 -6.209 -12.610 -12.610 386 1HA GLY 53 HA2 GLY 53 -4.615 -10.880 -10.880 387 2HA GLY 53 HA1 GLY 53 -5.258 -11.480 -11.480 388 H VAL 54 HN VAL 54 -5.425 -14.247 -14.247 389 HA VAL 54 HA VAL 54 -2.927 -15.275 -15.275 390 HB VAL 54 HB VAL 54 -5.239 -16.294 -16.294 391 1HG1 VAL 54 HG11 VAL 54 -2.569 -17.553 -17.553 392 2HG1 VAL 54 HG13 VAL 54 -3.980 -18.592 -18.592 393 3HG1 VAL 54 HG12 VAL 54 -3.714 -17.751 -17.751 394 1HG2 VAL 54 HG21 VAL 54 -5.295 -15.901 -15.901 395 2HG2 VAL 54 HG23 VAL 54 -5.794 -17.497 -17.497 396 3HG2 VAL 54 HG22 VAL 54 -4.185 -17.265 -17.265 397 H GLN 55 HN GLN 55 -4.115 -14.697 -14.697 398 HA GLN 55 HA GLN 55 -1.725 -15.654 -15.654 399 1HB GLN 55 HB2 GLN 55 -4.254 -14.323 -14.323 400 2HB GLN 55 HB1 GLN 55 -2.935 -13.720 -13.720 401 1HG GLN 55 HG2 GLN 55 -3.772 -16.615 -16.615 402 2HG GLN 55 HG1 GLN 55 -3.947 -15.635 -15.635 403 1HE2 GLN 55 HE21 GLN 55 -2.258 -18.160 -18.160 404 2HE2 GLN 55 HE22 GLN 55 -0.701 -17.745 -17.745 405 H ASP 56 HN ASP 56 -2.767 -12.471 -12.471 406 HA ASP 56 HA ASP 56 -0.551 -10.986 -10.986 407 1HB ASP 56 HB2 ASP 56 -2.785 -10.667 -10.667 408 2HB ASP 56 HB1 ASP 56 -1.370 -9.705 -9.705 409 H CYS 57 HN CYS 57 -1.046 -12.935 -12.935 410 HA CYS 57 HA CYS 57 1.317 -12.065 -12.065 411 1HB CYS 57 HB2 CYS 57 -0.639 -13.241 -13.241 412 2HB CYS 57 HB1 CYS 57 -0.220 -14.685 -14.685 413 H MET 58 HN MET 58 0.626 -14.908 -14.908 414 HA MET 58 HA MET 58 3.299 -15.955 -15.955 415 1HB MET 58 HB2 MET 58 1.147 -16.145 -16.145 416 2HB MET 58 HB1 MET 58 2.483 -17.271 -17.271 417 1HG MET 58 HG2 MET 58 1.538 -18.202 -18.202 418 2HG MET 58 HG1 MET 58 0.673 -16.724 -16.724 419 1HE MET 58 HE1 MET 58 0.999 -18.340 -18.340 420 2HE MET 58 HE3 MET 58 0.858 -19.793 -19.793 421 3HE MET 58 HE2 MET 58 -0.414 -19.382 -19.382 422 H LYS 59 HN LYS 59 1.779 -13.342 -13.342 423 HA LYS 59 HA LYS 59 3.653 -13.160 -13.160 424 1HB LYS 59 HB2 LYS 59 1.325 -12.076 -12.076 425 2HB LYS 59 HB1 LYS 59 2.200 -10.864 -10.864 426 1HG LYS 59 HG2 LYS 59 2.857 -9.827 -9.827 427 2HG LYS 59 HG1 LYS 59 3.566 -11.323 -11.323 428 1HD LYS 59 HD2 LYS 59 1.434 -12.029 -12.029 429 2HD LYS 59 HD1 LYS 59 0.612 -10.661 -10.661 430 1HE LYS 59 HE2 LYS 59 0.951 -9.969 -9.969 431 2HE LYS 59 HE1 LYS 59 2.281 -9.194 -9.194 432 1HZ LYS 59 HZ2 LYS 59 2.635 -11.947 -11.947 433 2HZ LYS 59 HZ1 LYS 59 2.754 -10.687 -10.687 434 3HZ LYS 59 HZ3 LYS 59 3.793 -10.721 -10.721 435 H LYS 60 HN LYS 60 3.470 -11.604 -11.604 436 HA LYS 60 HA LYS 60 5.911 -10.086 -10.086 437 1HB LYS 60 HB2 LYS 60 4.239 -9.419 -9.419 438 2HB LYS 60 HB1 LYS 60 4.199 -11.023 -11.023 439 1HG LYS 60 HG2 LYS 60 5.482 -9.459 -9.459 440 2HG LYS 60 HG1 LYS 60 6.532 -10.724 -10.724 441 1HD LYS 60 HD2 LYS 60 7.847 -9.119 -9.119 442 2HD LYS 60 HD1 LYS 60 6.518 -8.667 -8.667 443 1HE LYS 60 HE2 LYS 60 5.901 -7.562 -7.562 444 2HE LYS 60 HE1 LYS 60 7.604 -7.184 -7.184 445 1HZ LYS 60 HZ2 LYS 60 6.793 -6.663 -6.663 446 2HZ LYS 60 HZ1 LYS 60 5.235 -6.600 -6.600 447 3HZ LYS 60 HZ3 LYS 60 6.435 -5.529 -5.529 448 H LEU 61 HN LEU 61 5.192 -13.405 -13.405 449 HA LEU 61 HA LEU 61 7.686 -13.940 -13.940 450 1HB LEU 61 HB2 LEU 61 5.572 -15.645 -15.645 451 2HB LEU 61 HB1 LEU 61 6.928 -16.330 -16.330 452 HG LEU 61 HG LEU 61 4.703 -14.577 -14.577 453 1HD1 LEU 61 HD12 LEU 61 5.519 -17.412 -17.412 454 2HD1 LEU 61 HD11 LEU 61 5.072 -16.669 -16.669 455 3HD1 LEU 61 HD13 LEU 61 3.924 -16.685 -16.685 456 1HD2 LEU 61 HD22 LEU 61 7.476 -15.017 -15.017 457 2HD2 LEU 61 HD21 LEU 61 6.424 -13.613 -13.613 458 3HD2 LEU 61 HD23 LEU 61 6.171 -15.040 -15.040 459 H LYS 62 HN LYS 62 7.104 -13.195 -13.195 460 HA LYS 62 HA LYS 62 9.006 -15.088 -15.088 461 1HB LYS 62 HB2 LYS 62 7.671 -12.591 -12.591 462 2HB LYS 62 HB1 LYS 62 8.387 -13.898 -13.898 463 1HG LYS 62 HG2 LYS 62 6.471 -14.966 -14.966 464 2HG LYS 62 HG1 LYS 62 5.718 -13.710 -13.710 465 1HD LYS 62 HD2 LYS 62 7.386 -15.937 -15.937 466 2HD LYS 62 HD1 LYS 62 5.640 -16.065 -16.065 467 1HE LYS 62 HE2 LYS 62 5.776 -13.642 -13.642 468 2HE LYS 62 HE1 LYS 62 7.187 -14.439 -14.439 469 1HZ LYS 62 HZ2 LYS 62 4.568 -15.801 -15.801 470 2HZ LYS 62 HZ1 LYS 62 4.953 -14.884 -14.884 471 3HZ LYS 62 HZ3 LYS 62 5.882 -16.247 -16.247 472 HA PRO 63 HA PRO 63 12.558 -12.571 -12.571 473 1HB PRO 63 HB2 PRO 63 14.022 -13.293 -13.293 474 2HB PRO 63 HB1 PRO 63 13.800 -14.351 -14.351 475 1HG PRO 63 HG2 PRO 63 12.418 -14.382 -14.382 476 2HG PRO 63 HG1 PRO 63 12.960 -15.735 -15.735 477 1HD PRO 63 HD2 PRO 63 10.364 -14.887 -14.887 478 2HD PRO 63 HD1 PRO 63 11.061 -15.703 -15.703 479 H TYR 64 HN TYR 64 11.605 -10.464 -10.464 480 HA TYR 64 HA TYR 64 12.187 -9.323 -9.323 481 1HB TYR 64 HB2 TYR 64 9.660 -9.973 -9.973 482 2HB TYR 64 HB1 TYR 64 9.795 -8.244 -8.244 483 HD1 TYR 64 HD1 TYR 64 10.854 -6.834 -6.834 484 HD2 TYR 64 HD2 TYR 64 8.943 -10.656 -10.656 485 HE1 TYR 64 HE1 TYR 64 10.451 -6.360 -6.360 486 HE2 TYR 64 HE2 TYR 64 8.541 -10.183 -10.183 487 HH TYR 64 HH TYR 64 8.331 -7.697 -7.697 488 H SER 65 HN SER 65 14.027 -8.837 -8.837 489 HA SER 65 HA SER 65 13.443 -6.055 -6.055 490 1HB SER 65 HB2 SER 65 14.631 -8.335 -8.335 491 2HB SER 65 HB1 SER 65 14.553 -6.662 -6.662 492 HG SER 65 HG SER 65 12.782 -7.929 -7.929 493 H ILE 66 HN ILE 66 15.138 -4.688 -4.688 494 HA ILE 66 HA ILE 66 17.410 -5.614 -5.614 495 HB ILE 66 HB ILE 66 16.950 -2.995 -2.995 496 1HG1 ILE 66 HG12 ILE 66 16.318 -3.246 -3.246 497 2HG1 ILE 66 HG11 ILE 66 15.225 -4.103 -4.103 498 1HG2 ILE 66 HG23 ILE 66 18.597 -3.724 -3.724 499 2HG2 ILE 66 HG22 ILE 66 18.346 -2.082 -2.082 500 3HG2 ILE 66 HG21 ILE 66 19.227 -3.250 -3.250 501 1HD1 ILE 66 HD13 ILE 66 15.570 -1.679 -1.679 502 2HD1 ILE 66 HD12 ILE 66 15.560 -1.215 -1.215 503 3HD1 ILE 66 HD11 ILE 66 14.195 -2.100 -2.100 Start of MODEL 24 1 1H HIS 1 HT2 HIS 1 2.864 -39.368 -39.368 2 2H HIS 1 HT1 HIS 1 2.507 -37.729 -37.729 3 3H HIS 1 HT3 HIS 1 1.366 -38.921 -38.921 4 HA HIS 1 HA HIS 1 0.863 -39.375 -39.375 5 1HB HIS 1 HB2 HIS 1 1.453 -36.407 -36.407 6 2HB HIS 1 HB1 HIS 1 0.099 -37.210 -37.210 7 HD1 HIS 1 HD1 HIS 1 0.444 -35.136 -35.136 8 HD2 HIS 1 HD2 HIS 1 -1.117 -38.992 -38.992 9 HE1 HIS 1 HE1 HIS 1 -1.067 -35.441 -35.441 10 H PHE 2 HN PHE 2 1.394 -38.947 -38.947 11 HA PHE 2 HA PHE 2 4.349 -38.585 -38.585 12 1HB PHE 2 HB2 PHE 2 2.423 -40.656 -40.656 13 2HB PHE 2 HB1 PHE 2 3.286 -40.057 -40.057 14 HD1 PHE 2 HD1 PHE 2 4.129 -40.780 -40.780 15 HD2 PHE 2 HD2 PHE 2 5.196 -41.267 -41.267 16 HE1 PHE 2 HE1 PHE 2 6.129 -42.084 -42.084 17 HE2 PHE 2 HE2 PHE 2 7.197 -42.572 -42.572 18 HZ PHE 2 HZ PHE 2 7.663 -42.980 -42.980 19 H ALA 3 HN ALA 3 4.529 -38.296 -38.296 20 HA ALA 3 HA ALA 3 4.303 -36.681 -36.681 21 1HB ALA 3 HB2 ALA 3 2.069 -38.085 -38.085 22 2HB ALA 3 HB1 ALA 3 1.399 -36.551 -36.551 23 3HB ALA 3 HB3 ALA 3 2.126 -36.665 -36.665 24 H ALA 4 HN ALA 4 2.208 -34.598 -34.598 25 HA ALA 4 HA ALA 4 3.591 -32.622 -32.622 26 1HB ALA 4 HB2 ALA 4 2.508 -32.520 -32.520 27 2HB ALA 4 HB1 ALA 4 1.053 -32.110 -32.110 28 3HB ALA 4 HB3 ALA 4 2.493 -31.100 -31.100 29 H ASP 5 HN ASP 5 1.397 -30.960 -30.960 30 HA ASP 5 HA ASP 5 -0.006 -32.629 -32.629 31 1HB ASP 5 HB2 ASP 5 1.572 -30.155 -30.155 32 2HB ASP 5 HB1 ASP 5 0.025 -30.000 -30.000 33 H CYS 6 HN CYS 6 -2.104 -31.495 -31.495 34 HA CYS 6 HA CYS 6 -3.408 -29.877 -29.877 35 1HB CYS 6 HB2 CYS 6 -4.179 -32.656 -32.656 36 2HB CYS 6 HB1 CYS 6 -5.313 -31.595 -31.595 37 H CYS 7 HN CYS 7 -5.696 -29.250 -29.250 38 HA CYS 7 HA CYS 7 -5.968 -29.255 -29.255 39 1HB CYS 7 HB2 CYS 7 -4.948 -27.125 -27.125 40 2HB CYS 7 HB1 CYS 7 -6.535 -26.640 -26.640 41 H THR 8 HN THR 8 -8.143 -28.926 -28.926 42 HA THR 8 HA THR 8 -10.181 -29.246 -29.246 43 HB THR 8 HB THR 8 -11.329 -29.483 -29.483 44 HG1 THR 8 HG1 THR 8 -9.775 -30.101 -30.101 45 1HG2 THR 8 HG22 THR 8 -11.271 -30.898 -30.898 46 2HG2 THR 8 HG21 THR 8 -10.297 -31.941 -31.941 47 3HG2 THR 8 HG23 THR 8 -11.943 -31.521 -31.521 48 H SER 9 HN SER 9 -9.000 -27.021 -27.021 49 HA SER 9 HA SER 9 -11.233 -25.131 -25.131 50 1HB SER 9 HB2 SER 9 -10.651 -26.361 -26.361 51 2HB SER 9 HB1 SER 9 -9.963 -24.745 -24.745 52 HG SER 9 HG SER 9 -12.094 -24.635 -24.635 53 H TYR 10 HN TYR 10 -10.209 -22.863 -22.863 54 HA TYR 10 HA TYR 10 -7.392 -22.556 -22.556 55 1HB TYR 10 HB2 TYR 10 -9.813 -21.084 -21.084 56 2HB TYR 10 HB1 TYR 10 -8.158 -20.537 -20.537 57 HD1 TYR 10 HD1 TYR 10 -6.626 -22.925 -22.925 58 HD2 TYR 10 HD2 TYR 10 -10.633 -22.021 -22.021 59 HE1 TYR 10 HE1 TYR 10 -6.404 -24.538 -24.538 60 HE2 TYR 10 HE2 TYR 10 -10.414 -23.630 -23.630 61 HH TYR 10 HH TYR 10 -7.908 -24.614 -24.614 62 H ILE 11 HN ILE 11 -7.001 -19.919 -19.919 63 HA ILE 11 HA ILE 11 -7.221 -19.525 -19.525 64 HB ILE 11 HB ILE 11 -5.929 -17.575 -17.575 65 1HG1 ILE 11 HG12 ILE 11 -7.602 -16.688 -16.688 66 2HG1 ILE 11 HG11 ILE 11 -5.904 -16.324 -16.324 67 1HG2 ILE 11 HG21 ILE 11 -4.889 -19.781 -19.781 68 2HG2 ILE 11 HG23 ILE 11 -5.267 -19.349 -19.349 69 3HG2 ILE 11 HG22 ILE 11 -4.167 -18.344 -18.344 70 1HD1 ILE 11 HD11 ILE 11 -5.842 -18.418 -18.418 71 2HD1 ILE 11 HD13 ILE 11 -7.602 -18.429 -18.429 72 3HD1 ILE 11 HD12 ILE 11 -6.772 -17.062 -17.062 73 H SER 12 HN SER 12 -8.276 -17.561 -17.561 74 HA SER 12 HA SER 12 -10.984 -17.195 -17.195 75 1HB SER 12 HB2 SER 12 -10.842 -15.914 -15.914 76 2HB SER 12 HB1 SER 12 -11.427 -17.552 -17.552 77 HG SER 12 HG SER 12 -9.551 -18.366 -18.366 78 H GLN 13 HN GLN 13 -8.171 -15.683 -15.683 79 HA GLN 13 HA GLN 13 -9.471 -13.111 -13.111 80 1HB GLN 13 HB2 GLN 13 -8.015 -11.829 -11.829 81 2HB GLN 13 HB1 GLN 13 -8.865 -13.049 -13.049 82 1HG GLN 13 HG2 GLN 13 -6.913 -14.512 -14.512 83 2HG GLN 13 HG1 GLN 13 -6.065 -13.382 -13.382 84 1HE2 GLN 13 HE21 GLN 13 -4.387 -13.216 -13.216 85 2HE2 GLN 13 HE22 GLN 13 -4.683 -12.226 -12.226 86 H SER 14 HN SER 14 -7.445 -11.540 -11.540 87 HA SER 14 HA SER 14 -6.332 -12.559 -12.559 88 1HB SER 14 HB2 SER 14 -5.040 -10.490 -10.490 89 2HB SER 14 HB1 SER 14 -5.050 -10.539 -10.539 90 HG SER 14 HG SER 14 -7.348 -10.273 -10.273 91 H ILE 15 HN ILE 15 -4.301 -13.501 -13.501 92 HA ILE 15 HA ILE 15 -3.101 -15.178 -15.178 93 HB ILE 15 HB ILE 15 -2.611 -14.447 -14.447 94 1HG1 ILE 15 HG12 ILE 15 -4.375 -16.095 -16.095 95 2HG1 ILE 15 HG11 ILE 15 -3.172 -16.771 -16.771 96 1HG2 ILE 15 HG22 ILE 15 -0.377 -14.691 -14.691 97 2HG2 ILE 15 HG21 ILE 15 -0.858 -16.293 -16.293 98 3HG2 ILE 15 HG23 ILE 15 -0.710 -15.971 -15.971 99 1HD1 ILE 15 HD13 ILE 15 -2.440 -16.949 -16.949 100 2HD1 ILE 15 HD12 ILE 15 -3.870 -17.883 -17.883 101 3HD1 ILE 15 HD11 ILE 15 -2.340 -18.174 -18.174 102 HA PRO 16 HA PRO 16 -0.269 -12.122 -12.122 103 1HB PRO 16 HB2 PRO 16 1.158 -13.765 -13.765 104 2HB PRO 16 HB1 PRO 16 -0.474 -13.191 -13.191 105 1HG PRO 16 HG2 PRO 16 0.425 -15.841 -15.841 106 2HG PRO 16 HG1 PRO 16 -0.931 -15.424 -15.424 107 1HD PRO 16 HD2 PRO 16 -1.096 -16.050 -16.050 108 2HD PRO 16 HD1 PRO 16 -2.358 -15.263 -15.263 109 H CYS 17 HN CYS 17 0.705 -12.166 -12.166 110 HA CYS 17 HA CYS 17 2.906 -13.869 -13.869 111 1HB CYS 17 HB2 CYS 17 1.484 -11.607 -11.607 112 2HB CYS 17 HB1 CYS 17 3.206 -11.237 -11.237 113 H SER 18 HN SER 18 2.623 -11.167 -11.167 114 HA SER 18 HA SER 18 5.327 -10.232 -10.232 115 1HB SER 18 HB2 SER 18 3.649 -8.886 -8.886 116 2HB SER 18 HB1 SER 18 3.008 -10.232 -10.232 117 HG SER 18 HG SER 18 5.124 -8.550 -8.550 118 H LEU 19 HN LEU 19 4.158 -13.259 -13.259 119 HA LEU 19 HA LEU 19 6.601 -13.759 -13.759 120 1HB LEU 19 HB2 LEU 19 3.708 -14.123 -14.123 121 2HB LEU 19 HB1 LEU 19 4.839 -15.340 -15.340 122 HG LEU 19 HG LEU 19 5.919 -12.688 -12.688 123 1HD1 LEU 19 HD13 LEU 19 3.463 -12.117 -12.117 124 2HD1 LEU 19 HD12 LEU 19 3.273 -13.244 -13.244 125 3HD1 LEU 19 HD11 LEU 19 4.286 -11.812 -11.812 126 1HD2 LEU 19 HD23 LEU 19 5.134 -15.048 -15.048 127 2HD2 LEU 19 HD22 LEU 19 6.755 -14.500 -14.500 128 3HD2 LEU 19 HD21 LEU 19 5.785 -13.568 -13.568 129 H MET 20 HN MET 20 6.090 -14.371 -14.371 130 HA MET 20 HA MET 20 6.205 -17.363 -17.363 131 1HB MET 20 HB2 MET 20 4.871 -15.868 -15.868 132 2HB MET 20 HB1 MET 20 4.748 -17.577 -17.577 133 1HG MET 20 HG2 MET 20 3.847 -15.592 -15.592 134 2HG MET 20 HG1 MET 20 2.819 -15.860 -15.860 135 1HE MET 20 HE2 MET 20 1.125 -16.324 -16.324 136 2HE MET 20 HE1 MET 20 0.726 -17.907 -17.907 137 3HE MET 20 HE3 MET 20 0.794 -17.668 -17.668 138 H LYS 21 HN LYS 21 7.962 -18.164 -18.164 139 HA LYS 21 HA LYS 21 9.656 -16.326 -16.326 140 1HB LYS 21 HB2 LYS 21 10.806 -17.435 -17.435 141 2HB LYS 21 HB1 LYS 21 9.992 -18.965 -18.965 142 1HG LYS 21 HG2 LYS 21 12.357 -18.947 -18.947 143 2HG LYS 21 HG1 LYS 21 11.201 -19.212 -19.212 144 1HD LYS 21 HD2 LYS 21 11.851 -17.325 -17.325 145 2HD LYS 21 HD1 LYS 21 11.670 -16.374 -16.374 146 1HE LYS 21 HE2 LYS 21 13.938 -16.234 -16.234 147 2HE LYS 21 HE1 LYS 21 13.965 -17.973 -17.973 148 1HZ LYS 21 HZ2 LYS 21 13.542 -18.159 -18.159 149 2HZ LYS 21 HZ1 LYS 21 14.183 -16.587 -16.587 150 3HZ LYS 21 HZ3 LYS 21 15.121 -17.862 -17.862 151 H SER 22 HN SER 22 7.901 -19.433 -19.433 152 HA SER 22 HA SER 22 8.097 -19.110 -19.110 153 1HB SER 22 HB2 SER 22 9.978 -20.566 -20.566 154 2HB SER 22 HB1 SER 22 8.830 -21.808 -21.808 155 HG SER 22 HG SER 22 10.633 -21.085 -21.085 156 H TYR 23 HN TYR 23 6.031 -19.415 -19.415 157 HA TYR 23 HA TYR 23 4.204 -21.218 -21.218 158 1HB TYR 23 HB2 TYR 23 2.508 -20.037 -20.037 159 2HB TYR 23 HB1 TYR 23 3.671 -18.841 -18.841 160 HD1 TYR 23 HD1 TYR 23 2.679 -20.903 -20.903 161 HD2 TYR 23 HD2 TYR 23 5.026 -17.592 -17.592 162 HE1 TYR 23 HE1 TYR 23 3.170 -20.255 -20.255 163 HE2 TYR 23 HE2 TYR 23 5.516 -16.944 -16.944 164 HH TYR 23 HH TYR 23 5.528 -18.510 -18.510 165 H PHE 24 HN PHE 24 2.859 -22.772 -22.772 166 HA PHE 24 HA PHE 24 4.027 -23.510 -23.510 167 1HB PHE 24 HB2 PHE 24 4.683 -25.688 -25.688 168 2HB PHE 24 HB1 PHE 24 5.271 -24.617 -24.617 169 HD1 PHE 24 HD1 PHE 24 2.376 -26.816 -26.816 170 HD2 PHE 24 HD2 PHE 24 4.605 -24.924 -24.924 171 HE1 PHE 24 HE1 PHE 24 1.074 -28.083 -28.083 172 HE2 PHE 24 HE2 PHE 24 3.296 -26.190 -26.190 173 HZ PHE 24 HZ PHE 24 1.533 -27.770 -27.770 174 H GLU 25 HN GLU 25 2.596 -24.793 -24.793 175 HA GLU 25 HA GLU 25 -0.232 -24.680 -24.680 176 1HB GLU 25 HB2 GLU 25 1.195 -25.320 -25.320 177 2HB GLU 25 HB1 GLU 25 -0.560 -25.325 -25.325 178 1HG GLU 25 HG2 GLU 25 -0.685 -23.035 -23.035 179 2HG GLU 25 HG1 GLU 25 0.880 -22.908 -22.908 180 H THR 26 HN THR 26 -1.473 -26.531 -26.531 181 HA THR 26 HA THR 26 -0.143 -28.995 -28.995 182 HB THR 26 HB THR 26 -2.504 -29.764 -29.764 183 HG1 THR 26 HG1 THR 26 -4.068 -28.003 -28.003 184 1HG2 THR 26 HG21 THR 26 -1.321 -28.283 -28.283 185 2HG2 THR 26 HG23 THR 26 -2.172 -26.917 -26.917 186 3HG2 THR 26 HG22 THR 26 -3.082 -28.214 -28.214 187 H SER 27 HN SER 27 -1.573 -31.048 -31.048 188 HA SER 27 HA SER 27 -0.823 -30.968 -30.968 189 1HB SER 27 HB2 SER 27 -1.543 -33.295 -33.295 190 2HB SER 27 HB1 SER 27 -0.758 -33.389 -33.389 191 HG SER 27 HG SER 27 0.998 -32.249 -32.249 192 H SER 28 HN SER 28 -2.381 -31.348 -31.348 193 HA SER 28 HA SER 28 -5.148 -30.851 -30.851 194 1HB SER 28 HB2 SER 28 -5.221 -30.621 -30.621 195 2HB SER 28 HB1 SER 28 -3.474 -30.851 -30.851 196 HG SER 28 HG SER 28 -4.830 -32.299 -32.299 197 H GLU 29 HN GLU 29 -3.283 -33.640 -33.640 198 HA GLU 29 HA GLU 29 -5.255 -35.651 -35.651 199 1HB GLU 29 HB2 GLU 29 -2.603 -35.632 -35.632 200 2HB GLU 29 HB1 GLU 29 -3.119 -36.132 -36.132 201 1HG GLU 29 HG2 GLU 29 -4.457 -37.511 -37.511 202 2HG GLU 29 HG1 GLU 29 -2.742 -37.870 -37.870 203 H CYS 30 HN CYS 30 -4.781 -33.569 -33.569 204 HA CYS 30 HA CYS 30 -6.060 -35.222 -35.222 205 1HB CYS 30 HB2 CYS 30 -4.859 -32.601 -32.601 206 2HB CYS 30 HB1 CYS 30 -6.347 -32.484 -32.484 207 H SER 31 HN SER 31 -8.202 -34.540 -34.540 208 HA SER 31 HA SER 31 -10.325 -34.582 -34.582 209 1HB SER 31 HB2 SER 31 -10.295 -33.593 -33.593 210 2HB SER 31 HB1 SER 31 -11.711 -34.171 -34.171 211 HG SER 31 HG SER 31 -11.091 -35.966 -35.966 212 H LYS 32 HN LYS 32 -8.582 -31.964 -31.964 213 HA LYS 32 HA LYS 32 -9.841 -30.038 -30.038 214 1HB LYS 32 HB2 LYS 32 -10.507 -28.567 -28.567 215 2HB LYS 32 HB1 LYS 32 -11.306 -30.134 -30.134 216 1HG LYS 32 HG2 LYS 32 -9.592 -30.887 -30.887 217 2HG LYS 32 HG1 LYS 32 -8.791 -29.320 -29.320 218 1HD LYS 32 HD2 LYS 32 -10.113 -28.956 -28.956 219 2HD LYS 32 HD1 LYS 32 -11.219 -28.423 -28.423 220 1HE LYS 32 HE2 LYS 32 -11.987 -30.933 -30.933 221 2HE LYS 32 HE1 LYS 32 -11.250 -30.992 -30.992 222 1HZ LYS 32 HZ3 LYS 32 -12.550 -28.648 -28.648 223 2HZ LYS 32 HZ2 LYS 32 -13.598 -29.546 -29.546 224 3HZ LYS 32 HZ1 LYS 32 -13.206 -30.105 -30.105 225 HA PRO 33 HA PRO 33 -5.713 -28.521 -28.521 226 1HB PRO 33 HB2 PRO 33 -6.134 -26.061 -26.061 227 2HB PRO 33 HB1 PRO 33 -6.130 -27.568 -27.568 228 1HG PRO 33 HG2 PRO 33 -8.425 -25.947 -25.947 229 2HG PRO 33 HG1 PRO 33 -8.235 -26.818 -26.818 230 1HD PRO 33 HD2 PRO 33 -9.698 -27.745 -27.745 231 2HD PRO 33 HD1 PRO 33 -8.956 -28.795 -28.795 232 H GLY 34 HN GLY 34 -4.731 -26.114 -26.114 233 1HA GLY 34 HA2 GLY 34 -5.881 -24.345 -24.345 234 2HA GLY 34 HA1 GLY 34 -5.388 -25.697 -25.697 235 H VAL 35 HN VAL 35 -4.243 -23.055 -23.055 236 HA VAL 35 HA VAL 35 -1.468 -23.604 -23.604 237 HB VAL 35 HB VAL 35 -3.116 -21.092 -21.092 238 1HG1 VAL 35 HG13 VAL 35 -0.118 -21.313 -21.313 239 2HG1 VAL 35 HG12 VAL 35 -1.055 -19.824 -19.824 240 3HG1 VAL 35 HG11 VAL 35 -0.925 -20.638 -20.638 241 1HG2 VAL 35 HG21 VAL 35 -1.829 -22.610 -22.610 242 2HG2 VAL 35 HG23 VAL 35 -3.429 -21.875 -21.875 243 3HG2 VAL 35 HG22 VAL 35 -2.004 -20.862 -20.862 244 H ILE 36 HN ILE 36 -0.148 -24.138 -24.138 245 HA ILE 36 HA ILE 36 -0.838 -23.059 -23.059 246 HB ILE 36 HB ILE 36 0.680 -25.426 -25.426 247 1HG1 ILE 36 HG12 ILE 36 -1.619 -24.951 -24.951 248 2HG1 ILE 36 HG11 ILE 36 -1.625 -25.857 -25.857 249 1HG2 ILE 36 HG23 ILE 36 2.110 -24.331 -24.331 250 2HG2 ILE 36 HG22 ILE 36 0.767 -24.453 -24.453 251 3HG2 ILE 36 HG21 ILE 36 1.522 -25.914 -25.914 252 1HD1 ILE 36 HD11 ILE 36 -0.072 -27.518 -27.518 253 2HD1 ILE 36 HD13 ILE 36 -0.199 -26.638 -26.638 254 3HD1 ILE 36 HD12 ILE 36 -1.621 -27.423 -27.423 255 H PHE 37 HN PHE 37 0.444 -21.452 -21.452 256 HA PHE 37 HA PHE 37 2.909 -20.709 -20.709 257 1HB PHE 37 HB2 PHE 37 1.331 -19.448 -19.448 258 2HB PHE 37 HB1 PHE 37 2.760 -18.715 -18.715 259 HD1 PHE 37 HD1 PHE 37 -0.602 -20.109 -20.109 260 HD2 PHE 37 HD2 PHE 37 2.541 -17.365 -17.365 261 HE1 PHE 37 HE1 PHE 37 -2.013 -19.178 -19.178 262 HE2 PHE 37 HE2 PHE 37 1.127 -16.439 -16.439 263 HZ PHE 37 HZ PHE 37 -1.149 -17.344 -17.344 264 H LEU 38 HN LEU 38 4.966 -21.043 -21.043 265 HA LEU 38 HA LEU 38 5.106 -22.556 -22.556 266 1HB LEU 38 HB2 LEU 38 6.156 -23.064 -23.064 267 2HB LEU 38 HB1 LEU 38 7.456 -22.061 -22.061 268 HG LEU 38 HG LEU 38 7.498 -23.532 -23.532 269 1HD1 LEU 38 HD11 LEU 38 5.532 -25.121 -25.121 270 2HD1 LEU 38 HD13 LEU 38 6.387 -25.781 -25.781 271 3HD1 LEU 38 HD12 LEU 38 5.259 -24.442 -24.442 272 1HD2 LEU 38 HD21 LEU 38 8.708 -23.884 -23.884 273 2HD2 LEU 38 HD23 LEU 38 9.025 -24.901 -24.901 274 3HD2 LEU 38 HD22 LEU 38 7.882 -25.433 -25.433 275 H THR 39 HN THR 39 5.763 -21.468 -21.468 276 HA THR 39 HA THR 39 6.834 -18.724 -18.724 277 HB THR 39 HB THR 39 6.210 -18.544 -18.544 278 HG1 THR 39 HG1 THR 39 6.900 -20.116 -20.116 279 1HG2 THR 39 HG21 THR 39 4.403 -19.557 -19.557 280 2HG2 THR 39 HG23 THR 39 4.191 -20.614 -20.614 281 3HG2 THR 39 HG22 THR 39 3.991 -18.871 -18.871 282 H LYS 40 HN LYS 40 8.923 -18.139 -18.139 283 HA LYS 40 HA LYS 40 11.014 -20.103 -20.103 284 1HB LYS 40 HB2 LYS 40 10.912 -17.499 -17.499 285 2HB LYS 40 HB1 LYS 40 11.281 -17.413 -17.413 286 1HG LYS 40 HG2 LYS 40 13.093 -19.284 -19.284 287 2HG LYS 40 HG1 LYS 40 12.995 -18.251 -18.251 288 1HD LYS 40 HD2 LYS 40 13.459 -16.271 -16.271 289 2HD LYS 40 HD1 LYS 40 13.511 -17.280 -17.280 290 1HE LYS 40 HE2 LYS 40 15.397 -17.473 -17.473 291 2HE LYS 40 HE1 LYS 40 15.805 -16.882 -16.882 292 1HZ LYS 40 HZ1 LYS 40 14.811 -19.117 -19.117 293 2HZ LYS 40 HZ3 LYS 40 15.053 -19.613 -19.613 294 3HZ LYS 40 HZ2 LYS 40 16.377 -19.120 -19.120 295 H LYS 41 HN LYS 41 9.020 -18.898 -18.898 296 HA LYS 41 HA LYS 41 10.758 -19.546 -19.546 297 1HB LYS 41 HB2 LYS 41 8.381 -18.218 -18.218 298 2HB LYS 41 HB1 LYS 41 7.849 -19.666 -19.666 299 1HG LYS 41 HG2 LYS 41 9.144 -19.169 -19.169 300 2HG LYS 41 HG1 LYS 41 10.203 -18.078 -18.078 301 1HD LYS 41 HD2 LYS 41 8.796 -16.638 -16.638 302 2HD LYS 41 HD1 LYS 41 8.100 -16.630 -16.630 303 1HE LYS 41 HE2 LYS 41 6.214 -16.989 -16.989 304 2HE LYS 41 HE1 LYS 41 6.654 -18.637 -18.637 305 1HZ LYS 41 HZ3 LYS 41 7.747 -17.292 -17.292 306 2HZ LYS 41 HZ2 LYS 41 6.387 -18.309 -18.309 307 3HZ LYS 41 HZ1 LYS 41 7.898 -18.927 -18.927 308 H GLY 42 HN GLY 42 8.743 -21.415 -21.415 309 1HA GLY 42 HA2 GLY 42 9.054 -23.863 -23.863 310 2HA GLY 42 HA1 GLY 42 9.242 -23.807 -23.807 311 H ARG 43 HN ARG 43 6.789 -22.620 -22.620 312 HA ARG 43 HA ARG 43 4.719 -24.223 -24.223 313 1HB ARG 43 HB2 ARG 43 5.281 -21.588 -21.588 314 2HB ARG 43 HB1 ARG 43 3.916 -21.435 -21.435 315 1HG ARG 43 HG2 ARG 43 2.656 -23.094 -23.094 316 2HG ARG 43 HG1 ARG 43 4.018 -23.226 -23.226 317 1HD ARG 43 HD2 ARG 43 3.578 -21.186 -21.186 318 2HD ARG 43 HD1 ARG 43 2.984 -20.475 -20.475 319 HE ARG 43 HE ARG 43 1.126 -22.452 -22.452 320 1HH1 ARG 43 HH11 ARG 43 2.561 -20.901 -20.901 321 2HH1 ARG 43 HH12 ARG 43 1.130 -20.119 -20.119 322 1HH2 ARG 43 HH21 ARG 43 -0.775 -20.958 -20.958 323 2HH2 ARG 43 HH22 ARG 43 -0.758 -20.151 -20.151 324 H GLN 44 HN GLN 44 2.485 -23.654 -23.654 325 HA GLN 44 HA GLN 44 2.934 -23.040 -23.040 326 1HB GLN 44 HB2 GLN 44 1.522 -25.560 -25.560 327 2HB GLN 44 HB1 GLN 44 2.141 -25.162 -25.162 328 1HG GLN 44 HG2 GLN 44 4.465 -25.097 -25.097 329 2HG GLN 44 HG1 GLN 44 3.710 -25.886 -25.886 330 1HE2 GLN 44 HE21 GLN 44 3.104 -28.120 -28.120 331 2HE2 GLN 44 HE22 GLN 44 3.471 -29.040 -29.040 332 H VAL 45 HN VAL 45 1.150 -22.036 -22.036 333 HA VAL 45 HA VAL 45 -1.332 -21.880 -21.880 334 HB VAL 45 HB VAL 45 0.057 -20.005 -20.005 335 1HG1 VAL 45 HG13 VAL 45 -2.800 -19.967 -19.967 336 2HG1 VAL 45 HG12 VAL 45 -1.972 -18.496 -18.496 337 3HG1 VAL 45 HG11 VAL 45 -2.221 -19.811 -19.811 338 1HG2 VAL 45 HG23 VAL 45 -0.463 -20.177 -20.177 339 2HG2 VAL 45 HG22 VAL 45 0.874 -19.415 -19.415 340 3HG2 VAL 45 HG21 VAL 45 -0.670 -18.577 -18.577 341 H CYS 46 HN CYS 46 -3.380 -21.767 -21.767 342 HA CYS 46 HA CYS 46 -3.099 -23.184 -23.184 343 1HB CYS 46 HB2 CYS 46 -4.493 -23.863 -23.863 344 2HB CYS 46 HB1 CYS 46 -5.485 -24.048 -24.048 345 H ALA 47 HN ALA 47 -3.887 -21.800 -21.800 346 HA ALA 47 HA ALA 47 -6.333 -20.198 -20.198 347 1HB ALA 47 HB1 ALA 47 -3.975 -19.082 -19.082 348 2HB ALA 47 HB3 ALA 47 -4.228 -19.337 -19.337 349 3HB ALA 47 HB2 ALA 47 -5.358 -18.341 -18.341 350 H LYS 48 HN LYS 48 -7.761 -19.806 -19.806 351 HA LYS 48 HA LYS 48 -8.287 -22.011 -22.011 352 1HB LYS 48 HB2 LYS 48 -9.281 -19.397 -19.397 353 2HB LYS 48 HB1 LYS 48 -9.179 -19.553 -19.553 354 1HG LYS 48 HG2 LYS 48 -10.225 -21.987 -21.987 355 2HG LYS 48 HG1 LYS 48 -10.949 -20.937 -20.937 356 1HD LYS 48 HD2 LYS 48 -11.173 -19.458 -19.458 357 2HD LYS 48 HD1 LYS 48 -11.500 -21.110 -21.110 358 1HE LYS 48 HE2 LYS 48 -13.400 -21.299 -21.299 359 2HE LYS 48 HE1 LYS 48 -12.815 -20.102 -20.102 360 1HZ LYS 48 HZ1 LYS 48 -13.046 -18.390 -18.390 361 2HZ LYS 48 HZ3 LYS 48 -13.613 -19.537 -19.537 362 3HZ LYS 48 HZ2 LYS 48 -14.537 -19.163 -19.163 363 HA PRO 49 HA PRO 49 -5.604 -21.544 -21.544 364 1HB PRO 49 HB2 PRO 49 -7.253 -22.054 -22.054 365 2HB PRO 49 HB1 PRO 49 -6.703 -23.314 -23.314 366 1HG PRO 49 HG2 PRO 49 -9.312 -21.880 -21.880 367 2HG PRO 49 HG1 PRO 49 -8.973 -23.578 -23.578 368 1HD PRO 49 HD2 PRO 49 -9.529 -21.680 -21.680 369 2HD PRO 49 HD1 PRO 49 -8.568 -23.140 -23.140 370 H SER 50 HN SER 50 -8.745 -19.906 -19.906 371 HA SER 50 HA SER 50 -7.277 -17.707 -17.707 372 1HB SER 50 HB2 SER 50 -10.239 -18.280 -18.280 373 2HB SER 50 HB1 SER 50 -9.243 -17.423 -17.423 374 HG SER 50 HG SER 50 -9.894 -19.789 -19.789 375 H GLY 51 HN GLY 51 -7.727 -18.084 -18.084 376 1HA GLY 51 HA2 GLY 51 -9.780 -16.401 -16.401 377 2HA GLY 51 HA1 GLY 51 -8.256 -16.695 -16.695 378 HA PRO 52 HA PRO 52 -8.508 -12.443 -12.443 379 1HB PRO 52 HB2 PRO 52 -9.833 -10.908 -10.908 380 2HB PRO 52 HB1 PRO 52 -10.645 -11.715 -11.715 381 1HG PRO 52 HG2 PRO 52 -10.437 -12.547 -12.547 382 2HG PRO 52 HG1 PRO 52 -11.824 -12.631 -12.631 383 1HD PRO 52 HD2 PRO 52 -10.279 -14.784 -14.784 384 2HD PRO 52 HD1 PRO 52 -11.099 -14.591 -14.591 385 H GLY 53 HN GLY 53 -6.247 -12.894 -12.894 386 1HA GLY 53 HA2 GLY 53 -4.789 -11.099 -11.099 387 2HA GLY 53 HA1 GLY 53 -5.561 -11.786 -11.786 388 H VAL 54 HN VAL 54 -5.573 -14.505 -14.505 389 HA VAL 54 HA VAL 54 -3.090 -15.487 -15.487 390 HB VAL 54 HB VAL 54 -5.185 -16.636 -16.636 391 1HG1 VAL 54 HG12 VAL 54 -2.656 -17.642 -17.642 392 2HG1 VAL 54 HG11 VAL 54 -3.492 -18.464 -18.464 393 3HG1 VAL 54 HG13 VAL 54 -4.078 -18.627 -18.627 394 1HG2 VAL 54 HG22 VAL 54 -4.718 -16.670 -16.670 395 2HG2 VAL 54 HG21 VAL 54 -6.184 -16.235 -16.235 396 3HG2 VAL 54 HG23 VAL 54 -5.681 -17.922 -17.922 397 H GLN 55 HN GLN 55 -4.194 -15.000 -15.000 398 HA GLN 55 HA GLN 55 -1.723 -15.881 -15.881 399 1HB GLN 55 HB2 GLN 55 -3.841 -15.778 -15.778 400 2HB GLN 55 HB1 GLN 55 -3.959 -14.042 -14.042 401 1HG GLN 55 HG2 GLN 55 -2.665 -13.600 -13.600 402 2HG GLN 55 HG1 GLN 55 -1.409 -14.692 -14.692 403 1HE2 GLN 55 HE21 GLN 55 -2.192 -17.177 -17.177 404 2HE2 GLN 55 HE22 GLN 55 -2.851 -17.539 -17.539 405 H ASP 56 HN ASP 56 -2.933 -12.748 -12.748 406 HA ASP 56 HA ASP 56 -0.776 -11.148 -11.148 407 1HB ASP 56 HB2 ASP 56 -3.032 -10.967 -10.967 408 2HB ASP 56 HB1 ASP 56 -1.688 -9.884 -9.884 409 H CYS 57 HN CYS 57 -1.249 -13.107 -13.107 410 HA CYS 57 HA CYS 57 1.036 -12.159 -12.159 411 1HB CYS 57 HB2 CYS 57 -0.890 -13.440 -13.440 412 2HB CYS 57 HB1 CYS 57 -0.380 -14.849 -14.849 413 H MET 58 HN MET 58 0.527 -14.979 -14.979 414 HA MET 58 HA MET 58 3.244 -15.916 -15.916 415 1HB MET 58 HB2 MET 58 1.090 -16.157 -16.157 416 2HB MET 58 HB1 MET 58 2.511 -17.187 -17.187 417 1HG MET 58 HG2 MET 58 1.686 -17.715 -17.715 418 2HG MET 58 HG1 MET 58 0.159 -16.980 -16.980 419 1HE MET 58 HE2 MET 58 0.567 -17.690 -17.690 420 2HE MET 58 HE1 MET 58 -0.518 -19.070 -19.070 421 3HE MET 58 HE3 MET 58 -1.001 -17.660 -17.660 422 H LYS 59 HN LYS 59 1.629 -13.355 -13.355 423 HA LYS 59 HA LYS 59 3.469 -13.059 -13.059 424 1HB LYS 59 HB2 LYS 59 1.096 -12.015 -12.015 425 2HB LYS 59 HB1 LYS 59 2.110 -10.721 -10.721 426 1HG LYS 59 HG2 LYS 59 3.083 -10.292 -10.292 427 2HG LYS 59 HG1 LYS 59 2.480 -11.809 -11.809 428 1HD LYS 59 HD2 LYS 59 0.219 -11.013 -11.013 429 2HD LYS 59 HD1 LYS 59 0.646 -9.610 -9.610 430 1HE LYS 59 HE2 LYS 59 0.959 -8.457 -8.457 431 2HE LYS 59 HE1 LYS 59 2.335 -9.521 -9.521 432 1HZ LYS 59 HZ3 LYS 59 0.521 -11.183 -11.183 433 2HZ LYS 59 HZ2 LYS 59 -0.498 -9.829 -9.829 434 3HZ LYS 59 HZ1 LYS 59 0.893 -9.922 -9.922 435 H LYS 60 HN LYS 60 3.298 -11.524 -11.524 436 HA LYS 60 HA LYS 60 5.713 -9.973 -9.973 437 1HB LYS 60 HB2 LYS 60 3.913 -9.467 -9.467 438 2HB LYS 60 HB1 LYS 60 4.219 -10.989 -10.989 439 1HG LYS 60 HG2 LYS 60 5.300 -9.058 -9.058 440 2HG LYS 60 HG1 LYS 60 6.480 -10.245 -10.245 441 1HD LYS 60 HD2 LYS 60 6.846 -8.868 -8.868 442 2HD LYS 60 HD1 LYS 60 5.733 -7.661 -7.661 443 1HE LYS 60 HE2 LYS 60 7.198 -7.365 -7.365 444 2HE LYS 60 HE1 LYS 60 8.323 -8.564 -8.564 445 1HZ LYS 60 HZ3 LYS 60 7.409 -6.265 -6.265 446 2HZ LYS 60 HZ2 LYS 60 8.722 -6.099 -6.099 447 3HZ LYS 60 HZ1 LYS 60 8.794 -7.222 -7.222 448 H LEU 61 HN LEU 61 5.004 -13.260 -13.260 449 HA LEU 61 HA LEU 61 7.656 -13.744 -13.744 450 1HB LEU 61 HB2 LEU 61 5.095 -14.959 -14.959 451 2HB LEU 61 HB1 LEU 61 6.219 -16.114 -16.114 452 HG LEU 61 HG LEU 61 7.619 -16.081 -16.081 453 1HD1 LEU 61 HD12 LEU 61 6.220 -13.541 -13.541 454 2HD1 LEU 61 HD11 LEU 61 6.367 -14.519 -14.519 455 3HD1 LEU 61 HD13 LEU 61 7.811 -14.061 -14.061 456 1HD2 LEU 61 HD23 LEU 61 4.672 -16.385 -16.385 457 2HD2 LEU 61 HD22 LEU 61 5.949 -17.595 -17.595 458 3HD2 LEU 61 HD21 LEU 61 5.707 -16.437 -16.437 459 H LYS 62 HN LYS 62 6.661 -13.264 -13.264 460 HA LYS 62 HA LYS 62 7.796 -15.358 -15.358 461 1HB LYS 62 HB2 LYS 62 7.464 -12.379 -12.379 462 2HB LYS 62 HB1 LYS 62 8.056 -13.437 -13.437 463 1HG LYS 62 HG2 LYS 62 5.599 -14.331 -14.331 464 2HG LYS 62 HG1 LYS 62 5.428 -12.921 -12.921 465 1HD LYS 62 HD2 LYS 62 6.270 -14.134 -14.134 466 2HD LYS 62 HD1 LYS 62 6.748 -15.498 -15.498 467 1HE LYS 62 HE2 LYS 62 4.322 -15.831 -15.831 468 2HE LYS 62 HE1 LYS 62 3.912 -14.571 -14.571 469 1HZ LYS 62 HZ3 LYS 62 5.573 -16.020 -16.020 470 2HZ LYS 62 HZ2 LYS 62 4.995 -17.254 -17.254 471 3HZ LYS 62 HZ1 LYS 62 3.912 -16.359 -16.359 472 HA PRO 63 HA PRO 63 12.096 -14.869 -14.869 473 1HB PRO 63 HB2 PRO 63 13.066 -16.300 -16.300 474 2HB PRO 63 HB1 PRO 63 12.333 -17.060 -17.060 475 1HG PRO 63 HG2 PRO 63 11.172 -16.548 -16.548 476 2HG PRO 63 HG1 PRO 63 10.949 -17.930 -17.930 477 1HD PRO 63 HD2 PRO 63 9.128 -15.899 -15.899 478 2HD PRO 63 HD1 PRO 63 9.260 -16.909 -16.909 479 H TYR 64 HN TYR 64 13.413 -13.154 -13.154 480 HA TYR 64 HA TYR 64 13.322 -12.029 -12.029 481 1HB TYR 64 HB2 TYR 64 12.845 -10.882 -10.882 482 2HB TYR 64 HB1 TYR 64 13.956 -9.934 -9.934 483 HD1 TYR 64 HD1 TYR 64 10.551 -11.395 -11.395 484 HD2 TYR 64 HD2 TYR 64 13.205 -8.765 -8.765 485 HE1 TYR 64 HE1 TYR 64 8.636 -10.516 -10.516 486 HE2 TYR 64 HE2 TYR 64 11.291 -7.888 -7.888 487 HH TYR 64 HH TYR 64 8.816 -7.699 -7.699 488 H SER 65 HN SER 65 15.234 -13.978 -13.978 489 HA SER 65 HA SER 65 17.718 -12.295 -12.295 490 1HB SER 65 HB2 SER 65 17.535 -15.135 -15.135 491 2HB SER 65 HB1 SER 65 18.566 -13.828 -13.828 492 HG SER 65 HG SER 65 16.991 -14.021 -14.021 493 H ILE 66 HN ILE 66 18.971 -12.502 -12.502 494 HA ILE 66 HA ILE 66 18.825 -15.073 -15.073 495 HB ILE 66 HB ILE 66 17.577 -13.135 -13.135 496 1HG1 ILE 66 HG12 ILE 66 18.633 -13.317 -13.317 497 2HG1 ILE 66 HG11 ILE 66 20.059 -14.040 -14.040 498 1HG2 ILE 66 HG21 ILE 66 19.591 -11.602 -11.602 499 2HG2 ILE 66 HG23 ILE 66 20.154 -11.827 -11.827 500 3HG2 ILE 66 HG22 ILE 66 18.573 -11.106 -11.106 501 1HD1 ILE 66 HD13 ILE 66 17.360 -15.242 -15.242 502 2HD1 ILE 66 HD12 ILE 66 18.167 -15.586 -15.586 503 3HD1 ILE 66 HD11 ILE 66 18.944 -16.019 -16.019 Start of MODEL 25 1 1H HIS 1 HT2 HIS 1 1.858 -43.454 -43.454 2 2H HIS 1 HT1 HIS 1 0.257 -43.968 -43.968 3 3H HIS 1 HT3 HIS 1 1.441 -45.086 -45.086 4 HA HIS 1 HA HIS 1 2.342 -45.259 -45.259 5 1HB HIS 1 HB2 HIS 1 -0.577 -44.614 -44.614 6 2HB HIS 1 HB1 HIS 1 0.206 -44.801 -44.801 7 HD1 HIS 1 HD1 HIS 1 0.574 -47.150 -47.150 8 HD2 HIS 1 HD2 HIS 1 -0.161 -46.996 -46.996 9 HE1 HIS 1 HE1 HIS 1 0.407 -49.551 -49.551 10 H PHE 2 HN PHE 2 2.478 -44.209 -44.209 11 HA PHE 2 HA PHE 2 3.674 -41.629 -41.629 12 1HB PHE 2 HB2 PHE 2 3.631 -43.636 -43.636 13 2HB PHE 2 HB1 PHE 2 2.450 -42.576 -42.576 14 HD1 PHE 2 HD1 PHE 2 3.096 -40.155 -40.155 15 HD2 PHE 2 HD2 PHE 2 5.952 -43.158 -43.158 16 HE1 PHE 2 HE1 PHE 2 4.934 -38.727 -38.727 17 HE2 PHE 2 HE2 PHE 2 7.791 -41.730 -41.730 18 HZ PHE 2 HZ PHE 2 7.282 -39.515 -39.515 19 H ALA 3 HN ALA 3 2.550 -39.783 -39.783 20 HA ALA 3 HA ALA 3 -0.025 -39.270 -39.270 21 1HB ALA 3 HB2 ALA 3 0.611 -39.139 -39.139 22 2HB ALA 3 HB1 ALA 3 -0.762 -38.275 -38.275 23 3HB ALA 3 HB3 ALA 3 -0.685 -40.033 -40.033 24 H ALA 4 HN ALA 4 -0.309 -37.085 -37.085 25 HA ALA 4 HA ALA 4 2.085 -35.360 -35.360 26 1HB ALA 4 HB2 ALA 4 -0.405 -35.535 -35.535 27 2HB ALA 4 HB1 ALA 4 0.345 -33.946 -33.946 28 3HB ALA 4 HB3 ALA 4 1.263 -35.288 -35.288 29 H ASP 5 HN ASP 5 1.287 -32.867 -32.867 30 HA ASP 5 HA ASP 5 0.011 -32.690 -32.690 31 1HB ASP 5 HB2 ASP 5 1.171 -30.477 -30.477 32 2HB ASP 5 HB1 ASP 5 1.031 -30.530 -30.530 33 H CYS 6 HN CYS 6 -1.997 -31.715 -31.715 34 HA CYS 6 HA CYS 6 -3.311 -30.299 -30.299 35 1HB CYS 6 HB2 CYS 6 -4.332 -32.782 -32.782 36 2HB CYS 6 HB1 CYS 6 -5.308 -31.799 -31.799 37 H CYS 7 HN CYS 7 -4.894 -28.802 -28.802 38 HA CYS 7 HA CYS 7 -4.822 -28.197 -28.197 39 1HB CYS 7 HB2 CYS 7 -5.496 -26.863 -26.863 40 2HB CYS 7 HB1 CYS 7 -6.378 -26.305 -26.305 41 H THR 8 HN THR 8 -6.600 -28.444 -28.444 42 HA THR 8 HA THR 8 -8.948 -29.901 -29.901 43 HB THR 8 HB THR 8 -9.288 -30.551 -30.551 44 HG1 THR 8 HG1 THR 8 -7.304 -28.769 -28.769 45 1HG2 THR 8 HG23 THR 8 -6.324 -30.299 -30.299 46 2HG2 THR 8 HG22 THR 8 -7.005 -31.305 -31.305 47 3HG2 THR 8 HG21 THR 8 -7.368 -31.661 -31.661 48 H SER 9 HN SER 9 -8.000 -26.754 -26.754 49 HA SER 9 HA SER 9 -10.707 -25.704 -25.704 50 1HB SER 9 HB2 SER 9 -9.283 -25.541 -25.541 51 2HB SER 9 HB1 SER 9 -10.766 -24.675 -24.675 52 HG SER 9 HG SER 9 -10.703 -26.975 -26.975 53 H TYR 10 HN TYR 10 -10.056 -23.193 -23.193 54 HA TYR 10 HA TYR 10 -7.542 -22.288 -22.288 55 1HB TYR 10 HB2 TYR 10 -10.314 -21.204 -21.204 56 2HB TYR 10 HB1 TYR 10 -8.808 -20.499 -20.499 57 HD1 TYR 10 HD1 TYR 10 -7.139 -22.414 -22.414 58 HD2 TYR 10 HD2 TYR 10 -11.431 -22.585 -22.585 59 HE1 TYR 10 HE1 TYR 10 -7.128 -24.034 -24.034 60 HE2 TYR 10 HE2 TYR 10 -11.419 -24.200 -24.200 61 HH TYR 10 HH TYR 10 -9.292 -26.005 -26.005 62 H ILE 11 HN ILE 11 -6.895 -20.148 -20.148 63 HA ILE 11 HA ILE 11 -7.226 -19.726 -19.726 64 HB ILE 11 HB ILE 11 -5.999 -17.715 -17.715 65 1HG1 ILE 11 HG12 ILE 11 -7.668 -16.814 -16.814 66 2HG1 ILE 11 HG11 ILE 11 -5.982 -16.523 -16.523 67 1HG2 ILE 11 HG23 ILE 11 -4.979 -19.959 -19.959 68 2HG2 ILE 11 HG22 ILE 11 -5.240 -19.329 -19.329 69 3HG2 ILE 11 HG21 ILE 11 -4.199 -18.458 -18.458 70 1HD1 ILE 11 HD12 ILE 11 -6.079 -18.640 -18.640 71 2HD1 ILE 11 HD11 ILE 11 -7.823 -18.643 -18.643 72 3HD1 ILE 11 HD13 ILE 11 -7.067 -17.305 -17.305 73 H SER 12 HN SER 12 -8.283 -17.788 -17.788 74 HA SER 12 HA SER 12 -11.038 -17.480 -17.480 75 1HB SER 12 HB2 SER 12 -11.413 -17.563 -17.563 76 2HB SER 12 HB1 SER 12 -9.678 -17.644 -17.644 77 HG SER 12 HG SER 12 -9.898 -15.746 -15.746 78 H GLN 13 HN GLN 13 -8.207 -15.861 -15.861 79 HA GLN 13 HA GLN 13 -9.649 -13.383 -13.383 80 1HB GLN 13 HB2 GLN 13 -8.242 -11.977 -11.977 81 2HB GLN 13 HB1 GLN 13 -8.937 -13.228 -13.228 82 1HG GLN 13 HG2 GLN 13 -6.901 -14.497 -14.497 83 2HG GLN 13 HG1 GLN 13 -6.220 -13.501 -13.501 84 1HE2 GLN 13 HE21 GLN 13 -4.404 -12.736 -12.736 85 2HE2 GLN 13 HE22 GLN 13 -4.603 -11.700 -11.700 86 H SER 14 HN SER 14 -7.805 -11.785 -11.785 87 HA SER 14 HA SER 14 -6.668 -12.937 -12.937 88 1HB SER 14 HB2 SER 14 -6.779 -10.602 -10.602 89 2HB SER 14 HB1 SER 14 -6.137 -10.511 -10.511 90 HG SER 14 HG SER 14 -4.327 -10.113 -10.113 91 H ILE 15 HN ILE 15 -4.634 -13.889 -13.889 92 HA ILE 15 HA ILE 15 -3.269 -15.226 -15.226 93 HB ILE 15 HB ILE 15 -2.725 -14.760 -14.760 94 1HG1 ILE 15 HG12 ILE 15 -4.621 -16.275 -16.275 95 2HG1 ILE 15 HG11 ILE 15 -3.534 -16.956 -16.956 96 1HG2 ILE 15 HG21 ILE 15 -0.603 -15.042 -15.042 97 2HG2 ILE 15 HG23 ILE 15 -1.186 -16.655 -16.655 98 3HG2 ILE 15 HG22 ILE 15 -0.842 -16.234 -16.234 99 1HD1 ILE 15 HD11 ILE 15 -2.921 -17.264 -17.264 100 2HD1 ILE 15 HD13 ILE 15 -4.065 -18.350 -18.350 101 3HD1 ILE 15 HD12 ILE 15 -2.397 -18.268 -18.268 102 HA PRO 16 HA PRO 16 -0.566 -11.856 -11.856 103 1HB PRO 16 HB2 PRO 16 1.098 -13.225 -13.225 104 2HB PRO 16 HB1 PRO 16 -0.539 -12.726 -12.726 105 1HG PRO 16 HG2 PRO 16 0.472 -15.388 -15.388 106 2HG PRO 16 HG1 PRO 16 -0.773 -14.980 -14.980 107 1HD PRO 16 HD2 PRO 16 -1.255 -15.874 -15.874 108 2HD PRO 16 HD1 PRO 16 -2.418 -14.981 -14.981 109 H CYS 17 HN CYS 17 0.378 -11.756 -11.756 110 HA CYS 17 HA CYS 17 2.423 -13.501 -13.501 111 1HB CYS 17 HB2 CYS 17 2.139 -10.520 -10.520 112 2HB CYS 17 HB1 CYS 17 2.828 -11.706 -11.706 113 H SER 18 HN SER 18 2.463 -10.783 -10.783 114 HA SER 18 HA SER 18 5.304 -10.292 -10.292 115 1HB SER 18 HB2 SER 18 2.926 -9.289 -9.289 116 2HB SER 18 HB1 SER 18 3.975 -9.710 -9.710 117 HG SER 18 HG SER 18 4.280 -7.563 -7.563 118 H LEU 19 HN LEU 19 3.779 -13.087 -13.087 119 HA LEU 19 HA LEU 19 5.890 -13.721 -13.721 120 1HB LEU 19 HB2 LEU 19 2.966 -13.684 -13.684 121 2HB LEU 19 HB1 LEU 19 3.653 -15.240 -15.240 122 HG LEU 19 HG LEU 19 5.331 -13.279 -13.279 123 1HD1 LEU 19 HD12 LEU 19 3.283 -11.781 -11.781 124 2HD1 LEU 19 HD11 LEU 19 2.462 -12.724 -12.724 125 3HD1 LEU 19 HD13 LEU 19 3.902 -11.791 -11.791 126 1HD2 LEU 19 HD23 LEU 19 3.397 -15.360 -15.360 127 2HD2 LEU 19 HD22 LEU 19 5.096 -15.148 -15.148 128 3HD2 LEU 19 HD21 LEU 19 3.860 -14.160 -14.160 129 H MET 20 HN MET 20 5.652 -14.275 -14.275 130 HA MET 20 HA MET 20 5.810 -17.262 -17.262 131 1HB MET 20 HB2 MET 20 4.605 -15.856 -15.856 132 2HB MET 20 HB1 MET 20 4.407 -17.532 -17.532 133 1HG MET 20 HG2 MET 20 3.403 -15.230 -15.230 134 2HG MET 20 HG1 MET 20 2.423 -15.950 -15.950 135 1HE MET 20 HE3 MET 20 0.748 -16.532 -16.532 136 2HE MET 20 HE2 MET 20 0.531 -18.227 -18.227 137 3HE MET 20 HE1 MET 20 0.541 -17.000 -17.000 138 H LYS 21 HN LYS 21 7.609 -18.047 -18.047 139 HA LYS 21 HA LYS 21 9.333 -16.177 -16.177 140 1HB LYS 21 HB2 LYS 21 11.044 -17.892 -17.892 141 2HB LYS 21 HB1 LYS 21 10.205 -17.451 -17.451 142 1HG LYS 21 HG2 LYS 21 9.840 -19.670 -19.670 143 2HG LYS 21 HG1 LYS 21 8.641 -19.500 -19.500 144 1HD LYS 21 HD2 LYS 21 9.898 -20.706 -20.706 145 2HD LYS 21 HD1 LYS 21 11.314 -19.705 -19.705 146 1HE LYS 21 HE2 LYS 21 12.168 -21.578 -21.578 147 2HE LYS 21 HE1 LYS 21 11.070 -21.191 -21.191 148 1HZ LYS 21 HZ2 LYS 21 10.252 -22.720 -22.720 149 2HZ LYS 21 HZ1 LYS 21 10.762 -23.464 -23.464 150 3HZ LYS 21 HZ3 LYS 21 9.364 -22.504 -22.504 151 H SER 22 HN SER 22 7.383 -19.089 -19.089 152 HA SER 22 HA SER 22 7.929 -18.980 -18.980 153 1HB SER 22 HB2 SER 22 9.542 -20.547 -20.547 154 2HB SER 22 HB1 SER 22 8.230 -21.413 -21.413 155 HG SER 22 HG SER 22 7.780 -22.384 -22.384 156 H TYR 23 HN TYR 23 6.385 -20.577 -20.577 157 HA TYR 23 HA TYR 23 3.884 -21.150 -21.150 158 1HB TYR 23 HB2 TYR 23 2.553 -19.743 -19.743 159 2HB TYR 23 HB1 TYR 23 3.917 -18.755 -18.755 160 HD1 TYR 23 HD1 TYR 23 2.825 -21.030 -21.030 161 HD2 TYR 23 HD2 TYR 23 5.275 -17.700 -17.700 162 HE1 TYR 23 HE1 TYR 23 3.454 -20.657 -20.657 163 HE2 TYR 23 HE2 TYR 23 5.904 -17.331 -17.331 164 HH TYR 23 HH TYR 23 4.843 -17.857 -17.857 165 H PHE 24 HN PHE 24 2.702 -22.889 -22.889 166 HA PHE 24 HA PHE 24 3.623 -23.760 -23.760 167 1HB PHE 24 HB2 PHE 24 4.474 -25.816 -25.816 168 2HB PHE 24 HB1 PHE 24 4.996 -24.723 -24.723 169 HD1 PHE 24 HD1 PHE 24 2.309 -27.159 -27.159 170 HD2 PHE 24 HD2 PHE 24 4.295 -25.035 -25.035 171 HE1 PHE 24 HE1 PHE 24 1.097 -28.521 -28.521 172 HE2 PHE 24 HE2 PHE 24 3.080 -26.404 -26.404 173 HZ PHE 24 HZ PHE 24 1.480 -28.146 -28.146 174 H GLU 25 HN GLU 25 2.075 -24.967 -24.967 175 HA GLU 25 HA GLU 25 -0.648 -24.962 -24.962 176 1HB GLU 25 HB2 GLU 25 0.582 -25.487 -25.487 177 2HB GLU 25 HB1 GLU 25 -1.139 -25.710 -25.710 178 1HG GLU 25 HG2 GLU 25 -0.691 -23.227 -23.227 179 2HG GLU 25 HG1 GLU 25 0.411 -23.221 -23.221 180 H THR 26 HN THR 26 -1.892 -26.923 -26.923 181 HA THR 26 HA THR 26 -0.296 -29.299 -29.299 182 HB THR 26 HB THR 26 -2.371 -30.093 -30.093 183 HG1 THR 26 HG1 THR 26 -4.023 -29.824 -29.824 184 1HG2 THR 26 HG21 THR 26 -1.313 -27.963 -27.963 185 2HG2 THR 26 HG23 THR 26 -2.652 -27.101 -27.101 186 3HG2 THR 26 HG22 THR 26 -2.975 -28.334 -28.334 187 H SER 27 HN SER 27 -1.397 -31.477 -31.477 188 HA SER 27 HA SER 27 -1.135 -31.425 -31.425 189 1HB SER 27 HB2 SER 27 -1.872 -33.648 -33.648 190 2HB SER 27 HB1 SER 27 -1.305 -33.858 -33.858 191 HG SER 27 HG SER 27 0.208 -32.403 -32.403 192 H SER 28 HN SER 28 -2.824 -31.551 -31.551 193 HA SER 28 HA SER 28 -5.516 -30.967 -30.967 194 1HB SER 28 HB2 SER 28 -5.941 -30.952 -30.952 195 2HB SER 28 HB1 SER 28 -4.238 -30.505 -30.505 196 HG SER 28 HG SER 28 -5.413 -32.820 -32.820 197 H GLU 29 HN GLU 29 -3.766 -33.846 -33.846 198 HA GLU 29 HA GLU 29 -5.846 -35.730 -35.730 199 1HB GLU 29 HB2 GLU 29 -3.354 -36.101 -36.101 200 2HB GLU 29 HB1 GLU 29 -3.403 -36.075 -36.075 201 1HG GLU 29 HG2 GLU 29 -4.076 -38.223 -38.223 202 2HG GLU 29 HG1 GLU 29 -5.436 -37.862 -37.862 203 H CYS 30 HN CYS 30 -5.155 -33.855 -33.855 204 HA CYS 30 HA CYS 30 -6.396 -35.576 -35.576 205 1HB CYS 30 HB2 CYS 30 -5.065 -33.041 -33.041 206 2HB CYS 30 HB1 CYS 30 -6.559 -32.813 -32.813 207 H SER 31 HN SER 31 -8.463 -34.913 -34.913 208 HA SER 31 HA SER 31 -10.681 -34.798 -34.798 209 1HB SER 31 HB2 SER 31 -11.741 -33.975 -33.975 210 2HB SER 31 HB1 SER 31 -11.201 -35.639 -35.639 211 HG SER 31 HG SER 31 -10.085 -35.129 -35.129 212 H LYS 32 HN LYS 32 -8.773 -32.294 -32.294 213 HA LYS 32 HA LYS 32 -10.210 -30.248 -30.248 214 1HB LYS 32 HB2 LYS 32 -10.428 -28.860 -28.860 215 2HB LYS 32 HB1 LYS 32 -11.445 -30.300 -30.300 216 1HG LYS 32 HG2 LYS 32 -9.478 -31.480 -31.480 217 2HG LYS 32 HG1 LYS 32 -8.875 -29.856 -29.856 218 1HD LYS 32 HD2 LYS 32 -11.552 -31.008 -31.008 219 2HD LYS 32 HD1 LYS 32 -10.220 -30.547 -30.547 220 1HE LYS 32 HE2 LYS 32 -10.537 -28.224 -28.224 221 2HE LYS 32 HE1 LYS 32 -11.561 -28.554 -28.554 222 1HZ LYS 32 HZ3 LYS 32 -12.353 -29.755 -29.755 223 2HZ LYS 32 HZ2 LYS 32 -12.573 -28.076 -28.076 224 3HZ LYS 32 HZ1 LYS 32 -13.319 -29.133 -29.133 225 HA PRO 33 HA PRO 33 -6.001 -28.911 -28.911 226 1HB PRO 33 HB2 PRO 33 -6.486 -26.541 -26.541 227 2HB PRO 33 HB1 PRO 33 -6.563 -28.114 -28.114 228 1HG PRO 33 HG2 PRO 33 -8.767 -26.395 -26.395 229 2HG PRO 33 HG1 PRO 33 -8.696 -27.371 -27.371 230 1HD PRO 33 HD2 PRO 33 -10.010 -28.136 -28.136 231 2HD PRO 33 HD1 PRO 33 -9.350 -29.277 -29.277 232 H GLY 34 HN GLY 34 -5.052 -26.367 -26.367 233 1HA GLY 34 HA2 GLY 34 -6.047 -24.500 -24.500 234 2HA GLY 34 HA1 GLY 34 -5.540 -25.784 -25.784 235 H VAL 35 HN VAL 35 -4.226 -23.504 -23.504 236 HA VAL 35 HA VAL 35 -1.533 -23.998 -23.998 237 HB VAL 35 HB VAL 35 -3.153 -21.459 -21.459 238 1HG1 VAL 35 HG13 VAL 35 -0.869 -21.105 -21.105 239 2HG1 VAL 35 HG12 VAL 35 -0.178 -21.627 -21.627 240 3HG1 VAL 35 HG11 VAL 35 -1.156 -20.162 -20.162 241 1HG2 VAL 35 HG23 VAL 35 -2.211 -23.215 -23.215 242 2HG2 VAL 35 HG22 VAL 35 -3.441 -21.952 -21.952 243 3HG2 VAL 35 HG21 VAL 35 -1.742 -21.537 -21.537 244 H ILE 36 HN ILE 36 -0.214 -24.517 -24.517 245 HA ILE 36 HA ILE 36 -0.889 -23.403 -23.403 246 HB ILE 36 HB ILE 36 0.682 -25.726 -25.726 247 1HG1 ILE 36 HG12 ILE 36 -1.592 -25.305 -25.305 248 2HG1 ILE 36 HG11 ILE 36 -1.592 -26.234 -26.234 249 1HG2 ILE 36 HG21 ILE 36 0.852 -24.645 -24.645 250 2HG2 ILE 36 HG23 ILE 36 1.524 -26.181 -26.181 251 3HG2 ILE 36 HG22 ILE 36 2.168 -24.663 -24.663 252 1HD1 ILE 36 HD12 ILE 36 0.144 -27.752 -27.752 253 2HD1 ILE 36 HD11 ILE 36 -0.225 -26.928 -26.928 254 3HD1 ILE 36 HD13 ILE 36 -1.482 -27.840 -27.840 255 H PHE 37 HN PHE 37 0.329 -21.769 -21.769 256 HA PHE 37 HA PHE 37 2.777 -20.935 -20.935 257 1HB PHE 37 HB2 PHE 37 0.958 -19.732 -19.732 258 2HB PHE 37 HB1 PHE 37 2.487 -18.972 -18.972 259 HD1 PHE 37 HD1 PHE 37 -0.853 -19.974 -19.974 260 HD2 PHE 37 HD2 PHE 37 2.787 -17.872 -17.872 261 HE1 PHE 37 HE1 PHE 37 -1.929 -18.946 -18.946 262 HE2 PHE 37 HE2 PHE 37 1.712 -16.847 -16.847 263 HZ PHE 37 HZ PHE 37 -0.645 -17.383 -17.383 264 H LEU 38 HN LEU 38 4.814 -21.203 -21.203 265 HA LEU 38 HA LEU 38 4.964 -22.592 -22.592 266 1HB LEU 38 HB2 LEU 38 6.238 -22.833 -22.833 267 2HB LEU 38 HB1 LEU 38 7.461 -22.137 -22.137 268 HG LEU 38 HG LEU 38 7.182 -23.936 -23.936 269 1HD1 LEU 38 HD11 LEU 38 4.735 -24.432 -24.432 270 2HD1 LEU 38 HD13 LEU 38 5.549 -25.847 -25.847 271 3HD1 LEU 38 HD12 LEU 38 4.974 -24.573 -24.573 272 1HD2 LEU 38 HD21 LEU 38 8.635 -24.394 -24.394 273 2HD2 LEU 38 HD23 LEU 38 7.856 -25.866 -25.866 274 3HD2 LEU 38 HD22 LEU 38 7.250 -25.059 -25.059 275 H THR 39 HN THR 39 5.473 -21.404 -21.404 276 HA THR 39 HA THR 39 6.369 -18.604 -18.604 277 HB THR 39 HB THR 39 5.618 -18.391 -18.391 278 HG1 THR 39 HG1 THR 39 6.165 -19.856 -19.856 279 1HG2 THR 39 HG21 THR 39 3.869 -19.203 -19.203 280 2HG2 THR 39 HG23 THR 39 3.935 -20.733 -20.733 281 3HG2 THR 39 HG22 THR 39 3.433 -19.264 -19.264 282 H LYS 40 HN LYS 40 8.328 -17.816 -17.816 283 HA LYS 40 HA LYS 40 10.594 -19.589 -19.589 284 1HB LYS 40 HB2 LYS 40 9.966 -16.788 -16.788 285 2HB LYS 40 HB1 LYS 40 11.134 -17.166 -17.166 286 1HG LYS 40 HG2 LYS 40 12.676 -18.099 -18.099 287 2HG LYS 40 HG1 LYS 40 11.469 -18.059 -18.059 288 1HD LYS 40 HD2 LYS 40 12.408 -16.067 -16.067 289 2HD LYS 40 HD1 LYS 40 11.512 -15.433 -15.433 290 1HE LYS 40 HE2 LYS 40 13.902 -14.801 -14.801 291 2HE LYS 40 HE1 LYS 40 13.484 -15.926 -15.926 292 1HZ LYS 40 HZ1 LYS 40 14.317 -17.032 -17.032 293 2HZ LYS 40 HZ3 LYS 40 15.522 -16.386 -16.386 294 3HZ LYS 40 HZ2 LYS 40 14.542 -17.658 -17.658 295 H LYS 41 HN LYS 41 8.378 -18.489 -18.489 296 HA LYS 41 HA LYS 41 10.023 -19.087 -19.087 297 1HB LYS 41 HB2 LYS 41 8.044 -17.586 -17.586 298 2HB LYS 41 HB1 LYS 41 7.011 -18.979 -18.979 299 1HG LYS 41 HG2 LYS 41 7.938 -19.999 -19.999 300 2HG LYS 41 HG1 LYS 41 8.649 -18.421 -18.421 301 1HD LYS 41 HD2 LYS 41 5.936 -17.990 -17.990 302 2HD LYS 41 HD1 LYS 41 5.950 -19.287 -19.287 303 1HE LYS 41 HE2 LYS 41 7.334 -16.600 -16.600 304 2HE LYS 41 HE1 LYS 41 5.802 -17.067 -17.067 305 1HZ LYS 41 HZ2 LYS 41 7.286 -19.185 -19.185 306 2HZ LYS 41 HZ1 LYS 41 8.512 -18.011 -18.011 307 3HZ LYS 41 HZ3 LYS 41 7.204 -17.829 -17.829 308 H GLY 42 HN GLY 42 8.609 -21.100 -21.100 309 1HA GLY 42 HA2 GLY 42 8.838 -23.493 -23.493 310 2HA GLY 42 HA1 GLY 42 9.019 -23.450 -23.450 311 H ARG 43 HN ARG 43 6.512 -22.412 -22.412 312 HA ARG 43 HA ARG 43 4.534 -24.119 -24.119 313 1HB ARG 43 HB2 ARG 43 4.925 -21.381 -21.381 314 2HB ARG 43 HB1 ARG 43 3.476 -21.456 -21.456 315 1HG ARG 43 HG2 ARG 43 2.263 -22.432 -22.432 316 2HG ARG 43 HG1 ARG 43 3.569 -23.544 -23.544 317 1HD ARG 43 HD2 ARG 43 4.729 -21.615 -21.615 318 2HD ARG 43 HD1 ARG 43 3.251 -20.666 -20.666 319 HE ARG 43 HE ARG 43 2.121 -22.750 -22.750 320 1HH1 ARG 43 HH11 ARG 43 4.134 -20.516 -20.516 321 2HH1 ARG 43 HH12 ARG 43 4.669 -21.473 -21.473 322 1HH2 ARG 43 HH21 ARG 43 3.293 -24.417 -24.417 323 2HH2 ARG 43 HH22 ARG 43 4.192 -23.679 -23.679 324 H GLN 44 HN GLN 44 2.287 -23.715 -23.715 325 HA GLN 44 HA GLN 44 2.749 -23.190 -23.190 326 1HB GLN 44 HB2 GLN 44 1.544 -25.417 -25.417 327 2HB GLN 44 HB1 GLN 44 3.188 -25.529 -25.529 328 1HG GLN 44 HG2 GLN 44 2.481 -26.152 -26.152 329 2HG GLN 44 HG1 GLN 44 0.904 -25.384 -25.384 330 1HE2 GLN 44 HE21 GLN 44 2.709 -28.343 -28.343 331 2HE2 GLN 44 HE22 GLN 44 1.418 -29.251 -29.251 332 H VAL 45 HN VAL 45 0.955 -22.264 -22.264 333 HA VAL 45 HA VAL 45 -1.552 -22.109 -22.109 334 HB VAL 45 HB VAL 45 -0.339 -20.197 -20.197 335 1HG1 VAL 45 HG13 VAL 45 -2.930 -20.243 -20.243 336 2HG1 VAL 45 HG12 VAL 45 -2.166 -18.696 -18.696 337 3HG1 VAL 45 HG11 VAL 45 -2.631 -19.780 -19.780 338 1HG2 VAL 45 HG23 VAL 45 -0.595 -20.067 -20.067 339 2HG2 VAL 45 HG22 VAL 45 0.905 -20.253 -20.253 340 3HG2 VAL 45 HG21 VAL 45 -0.014 -18.751 -18.751 341 H CYS 46 HN CYS 46 -3.575 -21.983 -21.983 342 HA CYS 46 HA CYS 46 -3.290 -23.474 -23.474 343 1HB CYS 46 HB2 CYS 46 -4.971 -23.762 -23.762 344 2HB CYS 46 HB1 CYS 46 -5.860 -23.891 -23.891 345 H ALA 47 HN ALA 47 -3.948 -22.265 -22.265 346 HA ALA 47 HA ALA 47 -5.960 -20.093 -20.093 347 1HB ALA 47 HB1 ALA 47 -3.539 -19.401 -19.401 348 2HB ALA 47 HB3 ALA 47 -3.651 -20.053 -20.053 349 3HB ALA 47 HB2 ALA 47 -4.671 -18.697 -18.697 350 H LYS 48 HN LYS 48 -7.331 -19.619 -19.619 351 HA LYS 48 HA LYS 48 -8.144 -21.970 -21.970 352 1HB LYS 48 HB2 LYS 48 -9.029 -19.271 -19.271 353 2HB LYS 48 HB1 LYS 48 -9.292 -19.648 -19.648 354 1HG LYS 48 HG2 LYS 48 -10.449 -21.739 -21.739 355 2HG LYS 48 HG1 LYS 48 -10.213 -21.326 -21.326 356 1HD LYS 48 HD2 LYS 48 -11.701 -19.596 -19.596 357 2HD LYS 48 HD1 LYS 48 -12.476 -20.681 -20.681 358 1HE LYS 48 HE2 LYS 48 -10.567 -19.050 -19.050 359 2HE LYS 48 HE1 LYS 48 -11.634 -18.002 -18.002 360 1HZ LYS 48 HZ3 LYS 48 -13.522 -19.355 -19.355 361 2HZ LYS 48 HZ2 LYS 48 -12.448 -20.169 -20.169 362 3HZ LYS 48 HZ1 LYS 48 -12.722 -18.504 -18.504 363 HA PRO 49 HA PRO 49 -5.897 -21.416 -21.416 364 1HB PRO 49 HB2 PRO 49 -7.790 -21.797 -21.797 365 2HB PRO 49 HB1 PRO 49 -7.152 -23.117 -23.117 366 1HG PRO 49 HG2 PRO 49 -9.711 -21.611 -21.611 367 2HG PRO 49 HG1 PRO 49 -9.393 -23.334 -23.334 368 1HD PRO 49 HD2 PRO 49 -9.665 -21.544 -21.544 369 2HD PRO 49 HD1 PRO 49 -8.698 -23.030 -23.030 370 H SER 50 HN SER 50 -8.894 -19.569 -19.569 371 HA SER 50 HA SER 50 -7.616 -17.357 -17.357 372 1HB SER 50 HB2 SER 50 -10.306 -18.662 -18.662 373 2HB SER 50 HB1 SER 50 -10.226 -16.929 -16.929 374 HG SER 50 HG SER 50 -8.680 -17.357 -17.357 375 H GLY 51 HN GLY 51 -7.499 -17.718 -17.718 376 1HA GLY 51 HA2 GLY 51 -9.543 -16.064 -16.064 377 2HA GLY 51 HA1 GLY 51 -8.063 -16.628 -16.628 378 HA PRO 52 HA PRO 52 -7.797 -12.164 -12.164 379 1HB PRO 52 HB2 PRO 52 -8.949 -10.686 -10.686 380 2HB PRO 52 HB1 PRO 52 -9.842 -11.251 -11.251 381 1HG PRO 52 HG2 PRO 52 -9.758 -12.374 -12.374 382 2HG PRO 52 HG1 PRO 52 -11.129 -12.205 -12.205 383 1HD PRO 52 HD2 PRO 52 -9.813 -14.557 -14.557 384 2HD PRO 52 HD1 PRO 52 -10.628 -14.146 -14.146 385 H GLY 53 HN GLY 53 -5.583 -12.274 -12.274 386 1HA GLY 53 HA2 GLY 53 -4.016 -10.998 -10.998 387 2HA GLY 53 HA1 GLY 53 -4.798 -11.885 -11.885 388 H VAL 54 HN VAL 54 -4.972 -14.333 -14.333 389 HA VAL 54 HA VAL 54 -2.570 -15.635 -15.635 390 HB VAL 54 HB VAL 54 -4.611 -16.262 -16.262 391 1HG1 VAL 54 HG13 VAL 54 -2.174 -17.452 -17.452 392 2HG1 VAL 54 HG12 VAL 54 -3.112 -18.442 -18.442 393 3HG1 VAL 54 HG11 VAL 54 -3.620 -18.289 -18.289 394 1HG2 VAL 54 HG22 VAL 54 -4.367 -16.919 -16.919 395 2HG2 VAL 54 HG21 VAL 54 -5.717 -16.156 -16.156 396 3HG2 VAL 54 HG23 VAL 54 -5.384 -17.871 -17.871 397 H GLN 55 HN GLN 55 -3.540 -14.325 -14.325 398 HA GLN 55 HA GLN 55 -1.084 -15.058 -15.058 399 1HB GLN 55 HB2 GLN 55 -3.421 -14.370 -14.370 400 2HB GLN 55 HB1 GLN 55 -2.864 -12.712 -12.712 401 1HG GLN 55 HG2 GLN 55 -1.640 -12.819 -12.819 402 2HG GLN 55 HG1 GLN 55 -0.803 -14.256 -14.256 403 1HE2 GLN 55 HE21 GLN 55 -2.043 -16.387 -16.387 404 2HE2 GLN 55 HE22 GLN 55 -3.031 -16.528 -16.528 405 H ASP 56 HN ASP 56 -2.057 -12.457 -12.457 406 HA ASP 56 HA ASP 56 0.026 -10.578 -10.578 407 1HB ASP 56 HB2 ASP 56 -2.043 -11.042 -11.042 408 2HB ASP 56 HB1 ASP 56 -0.657 -10.091 -10.091 409 H CYS 57 HN CYS 57 -0.299 -13.186 -13.186 410 HA CYS 57 HA CYS 57 2.247 -12.760 -12.760 411 1HB CYS 57 HB2 CYS 57 0.429 -15.158 -15.158 412 2HB CYS 57 HB1 CYS 57 1.857 -15.186 -15.186 413 H MET 58 HN MET 58 1.202 -14.888 -14.888 414 HA MET 58 HA MET 58 3.820 -16.023 -16.023 415 1HB MET 58 HB2 MET 58 1.479 -15.691 -15.691 416 2HB MET 58 HB1 MET 58 2.752 -16.908 -16.908 417 1HG MET 58 HG2 MET 58 1.863 -18.156 -18.156 418 2HG MET 58 HG1 MET 58 1.177 -16.746 -16.746 419 1HE MET 58 HE3 MET 58 1.247 -18.871 -18.871 420 2HE MET 58 HE2 MET 58 0.198 -19.895 -19.895 421 3HE MET 58 HE1 MET 58 -0.433 -19.141 -19.141 422 H LYS 59 HN LYS 59 2.275 -13.030 -13.030 423 HA LYS 59 HA LYS 59 3.821 -12.413 -12.413 424 1HB LYS 59 HB2 LYS 59 1.863 -11.225 -11.225 425 2HB LYS 59 HB1 LYS 59 3.156 -10.060 -10.060 426 1HG LYS 59 HG2 LYS 59 2.905 -10.274 -10.274 427 2HG LYS 59 HG1 LYS 59 1.756 -11.597 -11.597 428 1HD LYS 59 HD2 LYS 59 0.256 -10.001 -10.001 429 2HD LYS 59 HD1 LYS 59 1.362 -8.702 -8.702 430 1HE LYS 59 HE2 LYS 59 0.613 -10.349 -10.349 431 2HE LYS 59 HE1 LYS 59 -0.784 -9.572 -9.572 432 1HZ LYS 59 HZ3 LYS 59 0.503 -7.485 -7.485 433 2HZ LYS 59 HZ2 LYS 59 1.754 -8.251 -8.251 434 3HZ LYS 59 HZ1 LYS 59 0.230 -8.037 -8.037 435 H LYS 60 HN LYS 60 4.202 -11.479 -11.479 436 HA LYS 60 HA LYS 60 6.743 -10.163 -10.163 437 1HB LYS 60 HB2 LYS 60 5.395 -11.430 -11.430 438 2HB LYS 60 HB1 LYS 60 6.766 -10.323 -10.323 439 1HG LYS 60 HG2 LYS 60 3.964 -9.738 -9.738 440 2HG LYS 60 HG1 LYS 60 4.816 -8.983 -8.983 441 1HD LYS 60 HD2 LYS 60 6.510 -8.127 -8.127 442 2HD LYS 60 HD1 LYS 60 5.454 -8.717 -8.717 443 1HE LYS 60 HE2 LYS 60 3.944 -7.017 -7.017 444 2HE LYS 60 HE1 LYS 60 4.130 -7.039 -7.039 445 1HZ LYS 60 HZ1 LYS 60 6.475 -6.281 -6.281 446 2HZ LYS 60 HZ3 LYS 60 5.207 -5.154 -5.154 447 3HZ LYS 60 HZ2 LYS 60 5.912 -5.663 -5.663 448 H LEU 61 HN LEU 61 5.755 -13.503 -13.503 449 HA LEU 61 HA LEU 61 8.385 -14.468 -14.468 450 1HB LEU 61 HB2 LEU 61 5.669 -15.449 -15.449 451 2HB LEU 61 HB1 LEU 61 6.906 -16.595 -16.595 452 HG LEU 61 HG LEU 61 7.881 -16.676 -16.676 453 1HD1 LEU 61 HD13 LEU 61 6.542 -14.063 -14.063 454 2HD1 LEU 61 HD12 LEU 61 6.474 -15.066 -15.066 455 3HD1 LEU 61 HD11 LEU 61 8.033 -14.645 -14.645 456 1HD2 LEU 61 HD23 LEU 61 4.860 -16.585 -16.585 457 2HD2 LEU 61 HD22 LEU 61 5.880 -18.002 -18.002 458 3HD2 LEU 61 HD21 LEU 61 5.882 -17.173 -17.173 459 H LYS 62 HN LYS 62 7.251 -13.288 -13.288 460 HA LYS 62 HA LYS 62 8.883 -15.160 -15.160 461 1HB LYS 62 HB2 LYS 62 6.504 -13.435 -13.435 462 2HB LYS 62 HB1 LYS 62 7.615 -13.422 -13.422 463 1HG LYS 62 HG2 LYS 62 7.514 -16.099 -16.099 464 2HG LYS 62 HG1 LYS 62 5.870 -15.585 -15.585 465 1HD LYS 62 HD2 LYS 62 5.639 -14.591 -14.591 466 2HD LYS 62 HD1 LYS 62 7.308 -15.014 -15.014 467 1HE LYS 62 HE2 LYS 62 6.809 -17.255 -17.255 468 2HE LYS 62 HE1 LYS 62 5.510 -17.224 -17.224 469 1HZ LYS 62 HZ1 LYS 62 4.397 -15.608 -15.608 470 2HZ LYS 62 HZ3 LYS 62 5.475 -16.233 -16.233 471 3HZ LYS 62 HZ2 LYS 62 4.366 -17.264 -17.264 472 HA PRO 63 HA PRO 63 11.768 -11.675 -11.675 473 1HB PRO 63 HB2 PRO 63 13.987 -13.166 -13.166 474 2HB PRO 63 HB1 PRO 63 13.277 -13.092 -13.092 475 1HG PRO 63 HG2 PRO 63 13.027 -15.197 -15.197 476 2HG PRO 63 HG1 PRO 63 13.170 -15.364 -15.364 477 1HD PRO 63 HD2 PRO 63 10.811 -15.591 -15.591 478 2HD PRO 63 HD1 PRO 63 10.921 -15.095 -15.095 479 H TYR 64 HN TYR 64 10.990 -10.644 -10.644 480 HA TYR 64 HA TYR 64 12.307 -11.588 -11.588 481 1HB TYR 64 HB2 TYR 64 9.643 -11.560 -11.560 482 2HB TYR 64 HB1 TYR 64 9.842 -9.935 -9.935 483 HD1 TYR 64 HD1 TYR 64 10.679 -13.516 -13.516 484 HD2 TYR 64 HD2 TYR 64 9.961 -9.604 -9.604 485 HE1 TYR 64 HE1 TYR 64 10.772 -14.451 -14.451 486 HE2 TYR 64 HE2 TYR 64 10.054 -10.541 -10.541 487 HH TYR 64 HH TYR 64 9.611 -12.941 -12.941 488 H SER 65 HN SER 65 13.623 -9.801 -9.801 489 HA SER 65 HA SER 65 13.993 -7.493 -7.493 490 1HB SER 65 HB2 SER 65 12.452 -7.366 -7.366 491 2HB SER 65 HB1 SER 65 13.388 -5.966 -5.966 492 HG SER 65 HG SER 65 11.031 -6.916 -6.916 493 H ILE 66 HN ILE 66 15.604 -5.911 -5.911 494 HA ILE 66 HA ILE 66 17.319 -7.325 -7.325 495 HB ILE 66 HB ILE 66 18.086 -7.903 -7.903 496 1HG1 ILE 66 HG12 ILE 66 20.427 -6.861 -6.861 497 2HG1 ILE 66 HG11 ILE 66 19.794 -6.032 -6.032 498 1HG2 ILE 66 HG23 ILE 66 17.210 -5.449 -5.449 499 2HG2 ILE 66 HG22 ILE 66 18.929 -5.102 -5.102 500 3HG2 ILE 66 HG21 ILE 66 18.400 -6.352 -6.352 501 1HD1 ILE 66 HD12 ILE 66 18.985 -8.425 -8.425 502 2HD1 ILE 66 HD11 ILE 66 20.201 -8.978 -8.978 503 3HD1 ILE 66 HD13 ILE 66 20.679 -7.989 -7.989 Start of MODEL 26 1 1H HIS 1 HT3 HIS 1 0.343 -37.573 -37.573 2 2H HIS 1 HT2 HIS 1 0.133 -36.360 -36.360 3 3H HIS 1 HT1 HIS 1 -1.153 -37.399 -37.399 4 HA HIS 1 HA HIS 1 -1.779 -35.605 -35.605 5 1HB HIS 1 HB2 HIS 1 1.155 -35.114 -35.114 6 2HB HIS 1 HB1 HIS 1 0.327 -34.328 -34.328 7 HD1 HIS 1 HD1 HIS 1 1.021 -32.148 -32.148 8 HD2 HIS 1 HD2 HIS 1 -2.097 -34.582 -34.582 9 HE1 HIS 1 HE1 HIS 1 -0.278 -30.793 -30.793 10 H PHE 2 HN PHE 2 -2.504 -35.995 -35.995 11 HA PHE 2 HA PHE 2 -1.917 -38.177 -38.177 12 1HB PHE 2 HB2 PHE 2 -3.476 -35.933 -35.933 13 2HB PHE 2 HB1 PHE 2 -2.345 -35.655 -35.655 14 HD1 PHE 2 HD1 PHE 2 -1.857 -38.728 -38.728 15 HD2 PHE 2 HD2 PHE 2 -5.383 -36.288 -36.288 16 HE1 PHE 2 HE1 PHE 2 -3.088 -40.367 -40.367 17 HE2 PHE 2 HE2 PHE 2 -6.615 -37.928 -37.928 18 HZ PHE 2 HZ PHE 2 -5.467 -39.967 -39.967 19 H ALA 3 HN ALA 3 -0.143 -38.837 -38.837 20 HA ALA 3 HA ALA 3 2.384 -37.715 -37.715 21 1HB ALA 3 HB1 ALA 3 0.836 -39.551 -39.551 22 2HB ALA 3 HB3 ALA 3 2.254 -38.850 -38.850 23 3HB ALA 3 HB2 ALA 3 2.433 -39.766 -39.766 24 H ALA 4 HN ALA 4 -0.223 -36.989 -36.989 25 HA ALA 4 HA ALA 4 1.394 -35.110 -35.110 26 1HB ALA 4 HB1 ALA 4 -0.590 -36.528 -36.528 27 2HB ALA 4 HB3 ALA 4 -1.618 -35.397 -35.397 28 3HB ALA 4 HB2 ALA 4 -0.647 -34.832 -34.832 29 H ASP 5 HN ASP 5 0.436 -32.790 -32.790 30 HA ASP 5 HA ASP 5 -0.084 -31.670 -31.670 31 1HB ASP 5 HB2 ASP 5 1.270 -30.551 -30.551 32 2HB ASP 5 HB1 ASP 5 1.003 -29.631 -29.631 33 H CYS 6 HN CYS 6 -2.427 -32.391 -32.391 34 HA CYS 6 HA CYS 6 -3.590 -30.367 -30.367 35 1HB CYS 6 HB2 CYS 6 -4.833 -32.711 -32.711 36 2HB CYS 6 HB1 CYS 6 -5.538 -31.839 -31.839 37 H CYS 7 HN CYS 7 -5.157 -28.843 -28.843 38 HA CYS 7 HA CYS 7 -5.128 -28.203 -28.203 39 1HB CYS 7 HB2 CYS 7 -5.690 -26.887 -26.887 40 2HB CYS 7 HB1 CYS 7 -6.636 -26.307 -26.307 41 H THR 8 HN THR 8 -6.939 -28.405 -28.405 42 HA THR 8 HA THR 8 -9.307 -29.799 -29.799 43 HB THR 8 HB THR 8 -9.343 -29.293 -29.293 44 HG1 THR 8 HG1 THR 8 -7.306 -29.480 -29.480 45 1HG2 THR 8 HG21 THR 8 -9.757 -31.417 -31.417 46 2HG2 THR 8 HG23 THR 8 -8.765 -31.996 -31.996 47 3HG2 THR 8 HG22 THR 8 -10.347 -31.286 -31.286 48 H SER 9 HN SER 9 -8.243 -26.707 -26.707 49 HA SER 9 HA SER 9 -10.892 -25.534 -25.534 50 1HB SER 9 HB2 SER 9 -11.150 -24.624 -24.624 51 2HB SER 9 HB1 SER 9 -10.753 -26.328 -26.328 52 HG SER 9 HG SER 9 -8.658 -25.770 -25.770 53 H TYR 10 HN TYR 10 -10.079 -23.042 -23.042 54 HA TYR 10 HA TYR 10 -7.530 -22.307 -22.307 55 1HB TYR 10 HB2 TYR 10 -10.223 -21.044 -21.044 56 2HB TYR 10 HB1 TYR 10 -8.671 -20.475 -20.475 57 HD1 TYR 10 HD1 TYR 10 -7.170 -22.416 -22.416 58 HD2 TYR 10 HD2 TYR 10 -11.451 -22.495 -22.495 59 HE1 TYR 10 HE1 TYR 10 -7.289 -24.080 -24.080 60 HE2 TYR 10 HE2 TYR 10 -11.570 -24.153 -24.153 61 HH TYR 10 HH TYR 10 -10.402 -25.145 -25.145 62 H ILE 11 HN ILE 11 -6.716 -20.243 -20.243 63 HA ILE 11 HA ILE 11 -6.943 -19.732 -19.732 64 HB ILE 11 HB ILE 11 -5.813 -17.673 -17.673 65 1HG1 ILE 11 HG12 ILE 11 -7.573 -16.873 -16.873 66 2HG1 ILE 11 HG11 ILE 11 -5.919 -16.572 -16.572 67 1HG2 ILE 11 HG21 ILE 11 -4.990 -20.071 -20.071 68 2HG2 ILE 11 HG23 ILE 11 -4.909 -19.001 -19.001 69 3HG2 ILE 11 HG22 ILE 11 -4.019 -18.599 -18.599 70 1HD1 ILE 11 HD11 ILE 11 -6.079 -18.799 -18.799 71 2HD1 ILE 11 HD13 ILE 11 -7.815 -18.728 -18.728 72 3HD1 ILE 11 HD12 ILE 11 -7.039 -17.467 -17.467 73 H SER 12 HN SER 12 -7.849 -17.495 -17.495 74 HA SER 12 HA SER 12 -10.729 -17.406 -17.406 75 1HB SER 12 HB2 SER 12 -10.309 -15.846 -15.846 76 2HB SER 12 HB1 SER 12 -10.808 -17.537 -17.537 77 HG SER 12 HG SER 12 -8.974 -17.359 -17.359 78 H GLN 13 HN GLN 13 -7.959 -15.766 -15.766 79 HA GLN 13 HA GLN 13 -9.491 -13.385 -13.385 80 1HB GLN 13 HB2 GLN 13 -7.899 -11.878 -11.878 81 2HB GLN 13 HB1 GLN 13 -8.778 -12.902 -12.902 82 1HG GLN 13 HG2 GLN 13 -6.618 -14.481 -14.481 83 2HG GLN 13 HG1 GLN 13 -5.903 -12.872 -12.872 84 1HE2 GLN 13 HE21 GLN 13 -7.962 -14.900 -14.900 85 2HE2 GLN 13 HE22 GLN 13 -7.411 -14.191 -14.191 86 H SER 14 HN SER 14 -7.527 -11.797 -11.797 87 HA SER 14 HA SER 14 -6.544 -13.055 -13.055 88 1HB SER 14 HB2 SER 14 -4.939 -11.049 -11.049 89 2HB SER 14 HB1 SER 14 -6.658 -10.668 -10.668 90 HG SER 14 HG SER 14 -4.689 -10.205 -10.205 91 H ILE 15 HN ILE 15 -4.438 -13.918 -13.918 92 HA ILE 15 HA ILE 15 -3.164 -15.420 -15.420 93 HB ILE 15 HB ILE 15 -2.478 -14.774 -14.774 94 1HG1 ILE 15 HG12 ILE 15 -4.494 -16.169 -16.169 95 2HG1 ILE 15 HG11 ILE 15 -3.221 -17.082 -17.082 96 1HG2 ILE 15 HG22 ILE 15 -0.468 -15.303 -15.303 97 2HG2 ILE 15 HG21 ILE 15 -1.186 -16.899 -16.899 98 3HG2 ILE 15 HG23 ILE 15 -0.709 -16.379 -16.379 99 1HD1 ILE 15 HD12 ILE 15 -2.479 -17.778 -17.778 100 2HD1 ILE 15 HD11 ILE 15 -4.063 -17.197 -17.197 101 3HD1 ILE 15 HD13 ILE 15 -3.944 -18.519 -18.519 102 HA PRO 16 HA PRO 16 -0.412 -12.209 -12.209 103 1HB PRO 16 HB2 PRO 16 1.182 -13.760 -13.760 104 2HB PRO 16 HB1 PRO 16 -0.450 -13.257 -13.257 105 1HG PRO 16 HG2 PRO 16 0.505 -15.867 -15.867 106 2HG PRO 16 HG1 PRO 16 -0.741 -15.528 -15.528 107 1HD PRO 16 HD2 PRO 16 -1.238 -16.187 -16.187 108 2HD PRO 16 HD1 PRO 16 -2.370 -15.314 -15.314 109 H CYS 17 HN CYS 17 0.518 -12.028 -12.028 110 HA CYS 17 HA CYS 17 2.590 -13.702 -13.702 111 1HB CYS 17 HB2 CYS 17 2.297 -10.701 -10.701 112 2HB CYS 17 HB1 CYS 17 3.002 -11.818 -11.818 113 H SER 18 HN SER 18 2.606 -11.030 -11.030 114 HA SER 18 HA SER 18 5.454 -10.585 -10.585 115 1HB SER 18 HB2 SER 18 3.851 -8.934 -8.934 116 2HB SER 18 HB1 SER 18 3.177 -10.051 -10.051 117 HG SER 18 HG SER 18 5.782 -8.936 -8.936 118 H LEU 19 HN LEU 19 3.909 -13.377 -13.377 119 HA LEU 19 HA LEU 19 5.971 -14.016 -14.016 120 1HB LEU 19 HB2 LEU 19 2.994 -14.140 -14.140 121 2HB LEU 19 HB1 LEU 19 3.861 -15.483 -15.483 122 HG LEU 19 HG LEU 19 5.192 -13.104 -13.104 123 1HD1 LEU 19 HD12 LEU 19 2.551 -12.480 -12.480 124 2HD1 LEU 19 HD11 LEU 19 2.515 -12.739 -12.739 125 3HD1 LEU 19 HD13 LEU 19 3.611 -11.543 -11.543 126 1HD2 LEU 19 HD21 LEU 19 3.988 -15.465 -15.465 127 2HD2 LEU 19 HD23 LEU 19 5.238 -14.433 -14.433 128 3HD2 LEU 19 HD22 LEU 19 3.535 -14.067 -14.067 129 H MET 20 HN MET 20 5.729 -14.593 -14.593 130 HA MET 20 HA MET 20 5.859 -17.577 -17.577 131 1HB MET 20 HB2 MET 20 4.676 -16.186 -16.186 132 2HB MET 20 HB1 MET 20 4.465 -17.856 -17.856 133 1HG MET 20 HG2 MET 20 3.486 -15.638 -15.638 134 2HG MET 20 HG1 MET 20 2.533 -16.120 -16.120 135 1HE MET 20 HE2 MET 20 0.704 -16.511 -16.511 136 2HE MET 20 HE1 MET 20 0.618 -18.024 -18.024 137 3HE MET 20 HE3 MET 20 0.296 -18.003 -18.003 138 H LYS 21 HN LYS 21 7.620 -18.428 -18.428 139 HA LYS 21 HA LYS 21 9.447 -16.575 -16.575 140 1HB LYS 21 HB2 LYS 21 11.004 -18.507 -18.507 141 2HB LYS 21 HB1 LYS 21 10.276 -18.036 -18.036 142 1HG LYS 21 HG2 LYS 21 8.884 -19.908 -19.908 143 2HG LYS 21 HG1 LYS 21 8.938 -20.134 -20.134 144 1HD LYS 21 HD2 LYS 21 11.484 -20.387 -20.387 145 2HD LYS 21 HD1 LYS 21 10.332 -21.721 -21.721 146 1HE LYS 21 HE2 LYS 21 11.012 -22.386 -22.386 147 2HE LYS 21 HE1 LYS 21 10.621 -20.788 -20.788 148 1HZ LYS 21 HZ1 LYS 21 12.750 -20.057 -20.057 149 2HZ LYS 21 HZ3 LYS 21 13.139 -21.706 -21.706 150 3HZ LYS 21 HZ2 LYS 21 12.924 -20.939 -20.939 151 H SER 22 HN SER 22 7.234 -19.215 -19.215 152 HA SER 22 HA SER 22 7.644 -18.822 -18.822 153 1HB SER 22 HB2 SER 22 9.397 -20.458 -20.458 154 2HB SER 22 HB1 SER 22 8.046 -21.578 -21.578 155 HG SER 22 HG SER 22 8.566 -22.031 -22.031 156 H TYR 23 HN TYR 23 6.176 -20.575 -20.575 157 HA TYR 23 HA TYR 23 3.813 -21.350 -21.350 158 1HB TYR 23 HB2 TYR 23 2.313 -20.038 -20.038 159 2HB TYR 23 HB1 TYR 23 3.556 -18.968 -18.968 160 HD1 TYR 23 HD1 TYR 23 2.839 -21.140 -21.140 161 HD2 TYR 23 HD2 TYR 23 4.800 -17.631 -17.631 162 HE1 TYR 23 HE1 TYR 23 3.505 -20.519 -20.519 163 HE2 TYR 23 HE2 TYR 23 5.470 -17.012 -17.012 164 HH TYR 23 HH TYR 23 5.497 -19.063 -19.063 165 H PHE 24 HN PHE 24 2.554 -23.021 -23.021 166 HA PHE 24 HA PHE 24 3.473 -23.859 -23.859 167 1HB PHE 24 HB2 PHE 24 4.209 -26.001 -26.001 168 2HB PHE 24 HB1 PHE 24 4.911 -24.852 -24.852 169 HD1 PHE 24 HD1 PHE 24 2.004 -27.152 -27.152 170 HD2 PHE 24 HD2 PHE 24 4.420 -24.977 -24.977 171 HE1 PHE 24 HE1 PHE 24 0.868 -28.308 -28.308 172 HE2 PHE 24 HE2 PHE 24 3.282 -26.137 -26.137 173 HZ PHE 24 HZ PHE 24 1.506 -27.802 -27.802 174 H GLU 25 HN GLU 25 1.991 -25.366 -25.366 175 HA GLU 25 HA GLU 25 -0.770 -25.156 -25.156 176 1HB GLU 25 HB2 GLU 25 0.253 -26.420 -26.420 177 2HB GLU 25 HB1 GLU 25 -1.370 -25.809 -25.809 178 1HG GLU 25 HG2 GLU 25 -0.769 -23.726 -23.726 179 2HG GLU 25 HG1 GLU 25 0.606 -23.744 -23.744 180 H THR 26 HN THR 26 -2.012 -27.016 -27.016 181 HA THR 26 HA THR 26 -0.562 -29.286 -29.286 182 HB THR 26 HB THR 26 -2.847 -30.110 -30.110 183 HG1 THR 26 HG1 THR 26 -4.566 -29.212 -29.212 184 1HG2 THR 26 HG22 THR 26 -1.726 -27.655 -27.655 185 2HG2 THR 26 HG21 THR 26 -3.447 -27.354 -27.354 186 3HG2 THR 26 HG23 THR 26 -2.927 -28.631 -28.631 187 H SER 27 HN SER 27 -0.886 -31.547 -31.547 188 HA SER 27 HA SER 27 -0.295 -31.967 -31.967 189 1HB SER 27 HB2 SER 27 -1.591 -33.775 -33.775 190 2HB SER 27 HB1 SER 27 -0.844 -34.335 -34.335 191 HG SER 27 HG SER 27 0.368 -33.068 -33.068 192 H SER 28 HN SER 28 -1.595 -32.250 -32.250 193 HA SER 28 HA SER 28 -4.340 -31.384 -31.384 194 1HB SER 28 HB2 SER 28 -4.188 -31.692 -31.692 195 2HB SER 28 HB1 SER 28 -2.512 -31.404 -31.404 196 HG SER 28 HG SER 28 -3.399 -33.452 -33.452 197 H GLU 29 HN GLU 29 -2.948 -34.308 -34.308 198 HA GLU 29 HA GLU 29 -4.960 -36.172 -36.172 199 1HB GLU 29 HB2 GLU 29 -2.459 -36.335 -36.335 200 2HB GLU 29 HB1 GLU 29 -3.390 -36.685 -36.685 201 1HG GLU 29 HG2 GLU 29 -4.719 -38.291 -38.291 202 2HG GLU 29 HG1 GLU 29 -3.211 -38.232 -38.232 203 H CYS 30 HN CYS 30 -4.625 -34.080 -34.080 204 HA CYS 30 HA CYS 30 -6.658 -35.367 -35.367 205 1HB CYS 30 HB2 CYS 30 -4.902 -33.014 -33.014 206 2HB CYS 30 HB1 CYS 30 -6.456 -32.724 -32.724 207 H SER 31 HN SER 31 -8.855 -34.853 -34.853 208 HA SER 31 HA SER 31 -10.231 -33.824 -33.824 209 1HB SER 31 HB2 SER 31 -12.123 -33.731 -33.731 210 2HB SER 31 HB1 SER 31 -11.386 -35.294 -35.294 211 HG SER 31 HG SER 31 -11.504 -34.058 -34.058 212 H LYS 32 HN LYS 32 -9.741 -32.361 -32.361 213 HA LYS 32 HA LYS 32 -10.666 -29.732 -29.732 214 1HB LYS 32 HB2 LYS 32 -11.221 -30.886 -30.886 215 2HB LYS 32 HB1 LYS 32 -9.589 -30.437 -30.437 216 1HG LYS 32 HG2 LYS 32 -10.074 -28.079 -28.079 217 2HG LYS 32 HG1 LYS 32 -11.666 -28.481 -28.481 218 1HD LYS 32 HD2 LYS 32 -11.450 -29.732 -29.732 219 2HD LYS 32 HD1 LYS 32 -10.893 -28.069 -28.069 220 1HE LYS 32 HE2 LYS 32 -13.265 -27.975 -27.975 221 2HE LYS 32 HE1 LYS 32 -13.018 -27.405 -27.405 222 1HZ LYS 32 HZ3 LYS 32 -13.134 -30.267 -30.267 223 2HZ LYS 32 HZ2 LYS 32 -14.564 -29.537 -29.537 224 3HZ LYS 32 HZ1 LYS 32 -14.002 -29.221 -29.221 225 HA PRO 33 HA PRO 33 -6.294 -28.891 -28.891 226 1HB PRO 33 HB2 PRO 33 -6.756 -26.697 -26.697 227 2HB PRO 33 HB1 PRO 33 -6.847 -28.356 -28.356 228 1HG PRO 33 HG2 PRO 33 -9.034 -26.500 -26.500 229 2HG PRO 33 HG1 PRO 33 -8.975 -27.658 -27.658 230 1HD PRO 33 HD2 PRO 33 -10.292 -28.107 -28.107 231 2HD PRO 33 HD1 PRO 33 -9.658 -29.397 -29.397 232 H GLY 34 HN GLY 34 -5.251 -26.430 -26.430 233 1HA GLY 34 HA2 GLY 34 -6.182 -24.271 -24.271 234 2HA GLY 34 HA1 GLY 34 -5.926 -25.411 -25.411 235 H VAL 35 HN VAL 35 -4.482 -22.930 -22.930 236 HA VAL 35 HA VAL 35 -1.756 -23.902 -23.902 237 HB VAL 35 HB VAL 35 -3.120 -21.211 -21.211 238 1HG1 VAL 35 HG11 VAL 35 -0.246 -21.880 -21.880 239 2HG1 VAL 35 HG13 VAL 35 -0.626 -20.617 -20.617 240 3HG1 VAL 35 HG12 VAL 35 -1.116 -20.435 -20.435 241 1HG2 VAL 35 HG21 VAL 35 -1.958 -22.963 -22.963 242 2HG2 VAL 35 HG23 VAL 35 -3.476 -22.063 -22.063 243 3HG2 VAL 35 HG22 VAL 35 -1.949 -21.216 -21.216 244 H ILE 36 HN ILE 36 -0.445 -24.411 -24.411 245 HA ILE 36 HA ILE 36 -1.101 -23.303 -23.303 246 HB ILE 36 HB ILE 36 0.306 -25.718 -25.718 247 1HG1 ILE 36 HG12 ILE 36 -1.864 -25.196 -25.196 248 2HG1 ILE 36 HG11 ILE 36 -2.021 -26.003 -26.003 249 1HG2 ILE 36 HG23 ILE 36 1.874 -24.760 -24.760 250 2HG2 ILE 36 HG22 ILE 36 0.575 -24.714 -24.714 251 3HG2 ILE 36 HG21 ILE 36 1.162 -26.263 -26.263 252 1HD1 ILE 36 HD13 ILE 36 -0.351 -27.032 -27.032 253 2HD1 ILE 36 HD12 ILE 36 -1.963 -27.615 -27.615 254 3HD1 ILE 36 HD11 ILE 36 -0.627 -27.854 -27.854 255 H PHE 37 HN PHE 37 0.244 -21.719 -21.719 256 HA PHE 37 HA PHE 37 2.742 -21.067 -21.067 257 1HB PHE 37 HB2 PHE 37 1.131 -19.731 -19.731 258 2HB PHE 37 HB1 PHE 37 2.634 -19.063 -19.063 259 HD1 PHE 37 HD1 PHE 37 -0.800 -20.139 -20.139 260 HD2 PHE 37 HD2 PHE 37 2.664 -17.825 -17.825 261 HE1 PHE 37 HE1 PHE 37 -2.055 -19.110 -19.110 262 HE2 PHE 37 HE2 PHE 37 1.409 -16.803 -16.803 263 HZ PHE 37 HZ PHE 37 -0.951 -17.441 -17.441 264 H LEU 38 HN LEU 38 4.773 -21.487 -21.487 265 HA LEU 38 HA LEU 38 4.851 -22.883 -22.883 266 1HB LEU 38 HB2 LEU 38 6.085 -23.191 -23.191 267 2HB LEU 38 HB1 LEU 38 7.363 -22.656 -22.656 268 HG LEU 38 HG LEU 38 7.278 -25.065 -25.065 269 1HD1 LEU 38 HD12 LEU 38 6.646 -23.364 -23.364 270 2HD1 LEU 38 HD11 LEU 38 5.853 -24.924 -24.924 271 3HD1 LEU 38 HD13 LEU 38 7.600 -24.848 -24.848 272 1HD2 LEU 38 HD22 LEU 38 4.312 -24.587 -24.587 273 2HD2 LEU 38 HD21 LEU 38 5.150 -25.619 -25.619 274 3HD2 LEU 38 HD23 LEU 38 5.049 -26.097 -26.097 275 H THR 39 HN THR 39 5.374 -21.634 -21.634 276 HA THR 39 HA THR 39 6.607 -18.979 -18.979 277 HB THR 39 HB THR 39 5.878 -18.574 -18.574 278 HG1 THR 39 HG1 THR 39 6.094 -20.107 -20.107 279 1HG2 THR 39 HG23 THR 39 4.094 -19.905 -19.905 280 2HG2 THR 39 HG22 THR 39 3.575 -20.135 -20.135 281 3HG2 THR 39 HG21 THR 39 3.795 -18.507 -18.507 282 H LYS 40 HN LYS 40 8.543 -18.331 -18.331 283 HA LYS 40 HA LYS 40 10.666 -20.265 -20.265 284 1HB LYS 40 HB2 LYS 40 10.783 -17.772 -17.772 285 2HB LYS 40 HB1 LYS 40 10.520 -17.529 -17.529 286 1HG LYS 40 HG2 LYS 40 12.717 -17.847 -17.847 287 2HG LYS 40 HG1 LYS 40 12.587 -19.474 -19.474 288 1HD LYS 40 HD2 LYS 40 13.442 -18.851 -18.851 289 2HD LYS 40 HD1 LYS 40 12.628 -17.287 -17.287 290 1HE LYS 40 HE2 LYS 40 14.428 -16.995 -16.995 291 2HE LYS 40 HE1 LYS 40 15.342 -17.999 -17.999 292 1HZ LYS 40 HZ3 LYS 40 13.780 -15.615 -15.615 293 2HZ LYS 40 HZ2 LYS 40 15.427 -15.529 -15.529 294 3HZ LYS 40 HZ1 LYS 40 14.924 -16.474 -16.474 295 H LYS 41 HN LYS 41 8.492 -18.992 -18.992 296 HA LYS 41 HA LYS 41 9.992 -19.909 -19.909 297 1HB LYS 41 HB2 LYS 41 7.803 -18.324 -18.324 298 2HB LYS 41 HB1 LYS 41 7.055 -19.752 -19.752 299 1HG LYS 41 HG2 LYS 41 7.568 -18.361 -18.361 300 2HG LYS 41 HG1 LYS 41 8.863 -19.558 -19.558 301 1HD LYS 41 HD2 LYS 41 10.377 -18.014 -18.014 302 2HD LYS 41 HD1 LYS 41 9.080 -16.859 -16.859 303 1HE LYS 41 HE2 LYS 41 8.779 -16.895 -16.895 304 2HE LYS 41 HE1 LYS 41 10.431 -17.541 -17.541 305 1HZ LYS 41 HZ1 LYS 41 9.543 -15.091 -15.091 306 2HZ LYS 41 HZ3 LYS 41 10.396 -15.094 -15.094 307 3HZ LYS 41 HZ2 LYS 41 11.128 -15.698 -15.698 308 H GLY 42 HN GLY 42 8.439 -21.633 -21.633 309 1HA GLY 42 HA2 GLY 42 8.249 -24.007 -24.007 310 2HA GLY 42 HA1 GLY 42 8.508 -24.094 -24.094 311 H ARG 43 HN ARG 43 6.076 -22.599 -22.599 312 HA ARG 43 HA ARG 43 3.938 -24.086 -24.086 313 1HB ARG 43 HB2 ARG 43 4.563 -21.839 -21.839 314 2HB ARG 43 HB1 ARG 43 3.841 -21.079 -21.079 315 1HG ARG 43 HG2 ARG 43 2.051 -21.204 -21.204 316 2HG ARG 43 HG1 ARG 43 1.797 -22.604 -22.604 317 1HD ARG 43 HD2 ARG 43 1.598 -23.130 -23.130 318 2HD ARG 43 HD1 ARG 43 2.862 -24.069 -24.069 319 HE ARG 43 HE ARG 43 4.525 -22.681 -22.681 320 1HH1 ARG 43 HH11 ARG 43 1.460 -21.183 -21.183 321 2HH1 ARG 43 HH12 ARG 43 1.795 -20.343 -20.343 322 1HH2 ARG 43 HH21 ARG 43 4.899 -21.822 -21.822 323 2HH2 ARG 43 HH22 ARG 43 3.744 -20.703 -20.703 324 H GLN 44 HN GLN 44 2.598 -24.833 -24.833 325 HA GLN 44 HA GLN 44 2.679 -23.528 -23.528 326 1HB GLN 44 HB2 GLN 44 1.182 -26.017 -26.017 327 2HB GLN 44 HB1 GLN 44 1.767 -25.598 -25.598 328 1HG GLN 44 HG2 GLN 44 4.077 -25.842 -25.842 329 2HG GLN 44 HG1 GLN 44 3.567 -26.101 -26.101 330 1HE2 GLN 44 HE21 GLN 44 3.431 -27.557 -27.557 331 2HE2 GLN 44 HE22 GLN 44 3.165 -29.143 -29.143 332 H VAL 45 HN VAL 45 0.966 -22.385 -22.385 333 HA VAL 45 HA VAL 45 -1.478 -22.109 -22.109 334 HB VAL 45 HB VAL 45 -0.143 -20.309 -20.309 335 1HG1 VAL 45 HG12 VAL 45 -2.659 -19.920 -19.920 336 2HG1 VAL 45 HG11 VAL 45 -1.850 -18.635 -18.635 337 3HG1 VAL 45 HG13 VAL 45 -2.558 -20.003 -20.003 338 1HG2 VAL 45 HG22 VAL 45 0.198 -20.709 -20.709 339 2HG2 VAL 45 HG21 VAL 45 1.040 -19.578 -19.578 340 3HG2 VAL 45 HG23 VAL 45 -0.467 -19.099 -19.099 341 H CYS 46 HN CYS 46 -3.552 -22.084 -22.084 342 HA CYS 46 HA CYS 46 -3.454 -23.572 -23.572 343 1HB CYS 46 HB2 CYS 46 -5.143 -23.538 -23.538 344 2HB CYS 46 HB1 CYS 46 -6.046 -23.654 -23.654 345 H ALA 47 HN ALA 47 -4.323 -22.595 -22.595 346 HA ALA 47 HA ALA 47 -5.936 -20.107 -20.107 347 1HB ALA 47 HB1 ALA 47 -3.465 -19.712 -19.712 348 2HB ALA 47 HB3 ALA 47 -3.706 -20.436 -20.436 349 3HB ALA 47 HB2 ALA 47 -4.555 -18.951 -18.951 350 H LYS 48 HN LYS 48 -7.341 -19.623 -19.623 351 HA LYS 48 HA LYS 48 -8.491 -21.924 -21.924 352 1HB LYS 48 HB2 LYS 48 -8.949 -19.081 -19.081 353 2HB LYS 48 HB1 LYS 48 -9.270 -19.557 -19.557 354 1HG LYS 48 HG2 LYS 48 -11.172 -20.607 -20.607 355 2HG LYS 48 HG1 LYS 48 -10.332 -21.524 -21.524 356 1HD LYS 48 HD2 LYS 48 -10.917 -20.054 -20.054 357 2HD LYS 48 HD1 LYS 48 -10.794 -18.652 -18.652 358 1HE LYS 48 HE2 LYS 48 -13.138 -18.912 -18.912 359 2HE LYS 48 HE1 LYS 48 -12.934 -19.508 -19.508 360 1HZ LYS 48 HZ2 LYS 48 -12.393 -21.445 -21.445 361 2HZ LYS 48 HZ1 LYS 48 -14.016 -20.953 -20.953 362 3HZ LYS 48 HZ3 LYS 48 -13.255 -21.633 -21.633 363 HA PRO 49 HA PRO 49 -6.358 -22.073 -22.073 364 1HB PRO 49 HB2 PRO 49 -8.325 -22.014 -22.014 365 2HB PRO 49 HB1 PRO 49 -8.034 -23.417 -23.417 366 1HG PRO 49 HG2 PRO 49 -10.102 -21.279 -21.279 367 2HG PRO 49 HG1 PRO 49 -10.243 -23.018 -23.018 368 1HD PRO 49 HD2 PRO 49 -9.994 -21.159 -21.159 369 2HD PRO 49 HD1 PRO 49 -9.440 -22.840 -22.840 370 H SER 50 HN SER 50 -8.788 -19.500 -19.500 371 HA SER 50 HA SER 50 -6.886 -17.667 -17.667 372 1HB SER 50 HB2 SER 50 -9.796 -18.159 -18.159 373 2HB SER 50 HB1 SER 50 -8.795 -16.886 -16.886 374 HG SER 50 HG SER 50 -7.792 -18.306 -18.306 375 H GLY 51 HN GLY 51 -7.369 -17.693 -17.693 376 1HA GLY 51 HA2 GLY 51 -9.535 -15.930 -15.930 377 2HA GLY 51 HA1 GLY 51 -8.171 -16.380 -16.380 378 HA PRO 52 HA PRO 52 -7.724 -12.095 -12.095 379 1HB PRO 52 HB2 PRO 52 -9.067 -10.470 -10.470 380 2HB PRO 52 HB1 PRO 52 -9.817 -11.163 -11.163 381 1HG PRO 52 HG2 PRO 52 -9.984 -12.068 -12.068 382 2HG PRO 52 HG1 PRO 52 -11.253 -11.988 -11.988 383 1HD PRO 52 HD2 PRO 52 -9.994 -14.298 -14.298 384 2HD PRO 52 HD1 PRO 52 -10.638 -13.996 -13.996 385 H GLY 53 HN GLY 53 -5.567 -12.490 -12.490 386 1HA GLY 53 HA2 GLY 53 -4.215 -10.891 -10.891 387 2HA GLY 53 HA1 GLY 53 -5.004 -11.880 -11.880 388 H VAL 54 HN VAL 54 -4.922 -14.290 -14.290 389 HA VAL 54 HA VAL 54 -2.464 -15.440 -15.440 390 HB VAL 54 HB VAL 54 -4.459 -16.130 -16.130 391 1HG1 VAL 54 HG12 VAL 54 -2.007 -17.124 -17.124 392 2HG1 VAL 54 HG11 VAL 54 -2.591 -18.148 -18.148 393 3HG1 VAL 54 HG13 VAL 54 -3.404 -18.169 -18.169 394 1HG2 VAL 54 HG22 VAL 54 -4.027 -17.117 -17.117 395 2HG2 VAL 54 HG21 VAL 54 -5.387 -16.158 -16.158 396 3HG2 VAL 54 HG23 VAL 54 -5.180 -17.821 -17.821 397 H GLN 55 HN GLN 55 -3.400 -13.949 -13.949 398 HA GLN 55 HA GLN 55 -0.954 -14.578 -14.578 399 1HB GLN 55 HB2 GLN 55 -3.168 -13.864 -13.864 400 2HB GLN 55 HB1 GLN 55 -2.862 -12.241 -12.241 401 1HG GLN 55 HG2 GLN 55 -1.930 -11.951 -11.951 402 2HG GLN 55 HG1 GLN 55 -0.525 -12.674 -12.674 403 1HE2 GLN 55 HE21 GLN 55 0.315 -14.452 -14.452 404 2HE2 GLN 55 HE22 GLN 55 -0.561 -15.454 -15.454 405 H ASP 56 HN ASP 56 -1.864 -12.183 -12.183 406 HA ASP 56 HA ASP 56 0.246 -10.275 -10.275 407 1HB ASP 56 HB2 ASP 56 -1.967 -10.126 -10.126 408 2HB ASP 56 HB1 ASP 56 -1.023 -10.858 -10.858 409 H CYS 57 HN CYS 57 -0.104 -13.076 -13.076 410 HA CYS 57 HA CYS 57 2.476 -12.827 -12.827 411 1HB CYS 57 HB2 CYS 57 0.606 -15.153 -15.153 412 2HB CYS 57 HB1 CYS 57 2.027 -15.271 -15.271 413 H MET 58 HN MET 58 1.332 -14.685 -14.685 414 HA MET 58 HA MET 58 3.867 -15.891 -15.891 415 1HB MET 58 HB2 MET 58 1.678 -15.151 -15.151 416 2HB MET 58 HB1 MET 58 2.747 -16.551 -16.551 417 1HG MET 58 HG2 MET 58 1.435 -16.669 -16.669 418 2HG MET 58 HG1 MET 58 0.187 -16.258 -16.258 419 1HE MET 58 HE3 MET 58 0.289 -17.119 -17.119 420 2HE MET 58 HE2 MET 58 0.473 -18.818 -18.818 421 3HE MET 58 HE1 MET 58 -0.886 -18.312 -18.312 422 H LYS 59 HN LYS 59 2.455 -12.737 -12.737 423 HA LYS 59 HA LYS 59 4.190 -11.953 -11.953 424 1HB LYS 59 HB2 LYS 59 2.222 -10.819 -10.819 425 2HB LYS 59 HB1 LYS 59 3.498 -9.677 -9.677 426 1HG LYS 59 HG2 LYS 59 2.894 -10.849 -10.849 427 2HG LYS 59 HG1 LYS 59 1.317 -10.720 -10.720 428 1HD LYS 59 HD2 LYS 59 1.506 -8.374 -8.374 429 2HD LYS 59 HD1 LYS 59 3.247 -8.401 -8.401 430 1HE LYS 59 HE2 LYS 59 2.099 -9.561 -9.561 431 2HE LYS 59 HE1 LYS 59 1.125 -8.123 -8.123 432 1HZ LYS 59 HZ3 LYS 59 3.517 -7.166 -7.166 433 2HZ LYS 59 HZ2 LYS 59 3.983 -8.340 -8.340 434 3HZ LYS 59 HZ1 LYS 59 2.876 -7.125 -7.125 435 H LYS 60 HN LYS 60 4.302 -11.443 -11.443 436 HA LYS 60 HA LYS 60 6.852 -10.098 -10.098 437 1HB LYS 60 HB2 LYS 60 4.753 -10.790 -10.790 438 2HB LYS 60 HB1 LYS 60 6.201 -11.542 -11.542 439 1HG LYS 60 HG2 LYS 60 5.951 -8.628 -8.628 440 2HG LYS 60 HG1 LYS 60 5.915 -9.234 -9.234 441 1HD LYS 60 HD2 LYS 60 8.169 -9.536 -9.536 442 2HD LYS 60 HD1 LYS 60 8.223 -10.165 -10.165 443 1HE LYS 60 HE2 LYS 60 8.678 -8.106 -8.106 444 2HE LYS 60 HE1 LYS 60 7.559 -7.281 -7.281 445 1HZ LYS 60 HZ2 LYS 60 9.209 -7.891 -7.891 446 2HZ LYS 60 HZ1 LYS 60 10.305 -8.254 -8.254 447 3HZ LYS 60 HZ3 LYS 60 9.704 -6.676 -6.676 448 H LEU 61 HN LEU 61 5.909 -13.440 -13.440 449 HA LEU 61 HA LEU 61 8.337 -14.593 -14.593 450 1HB LEU 61 HB2 LEU 61 5.810 -15.417 -15.417 451 2HB LEU 61 HB1 LEU 61 6.995 -16.216 -16.216 452 HG LEU 61 HG LEU 61 6.702 -17.697 -17.697 453 1HD1 LEU 61 HD11 LEU 61 9.154 -16.444 -16.444 454 2HD1 LEU 61 HD13 LEU 61 8.974 -16.421 -16.421 455 3HD1 LEU 61 HD12 LEU 61 8.905 -17.951 -17.951 456 1HD2 LEU 61 HD22 LEU 61 6.113 -15.251 -15.251 457 2HD2 LEU 61 HD21 LEU 61 5.771 -16.910 -16.910 458 3HD2 LEU 61 HD23 LEU 61 7.316 -16.167 -16.167 459 H LYS 62 HN LYS 62 7.751 -12.851 -12.851 460 HA LYS 62 HA LYS 62 10.388 -13.476 -13.476 461 1HB LYS 62 HB2 LYS 62 8.076 -14.998 -14.998 462 2HB LYS 62 HB1 LYS 62 8.601 -14.056 -14.056 463 1HG LYS 62 HG2 LYS 62 10.568 -15.625 -15.625 464 2HG LYS 62 HG1 LYS 62 9.688 -16.377 -16.377 465 1HD LYS 62 HD2 LYS 62 10.561 -14.080 -14.080 466 2HD LYS 62 HD1 LYS 62 11.885 -14.398 -14.398 467 1HE LYS 62 HE2 LYS 62 11.283 -16.910 -16.910 468 2HE LYS 62 HE1 LYS 62 11.215 -15.785 -15.785 469 1HZ LYS 62 HZ3 LYS 62 13.367 -15.615 -15.615 470 2HZ LYS 62 HZ2 LYS 62 13.503 -16.676 -16.676 471 3HZ LYS 62 HZ1 LYS 62 13.353 -15.004 -15.004 472 HA PRO 63 HA PRO 63 9.343 -9.324 -9.324 473 1HB PRO 63 HB2 PRO 63 11.820 -8.692 -8.692 474 2HB PRO 63 HB1 PRO 63 11.438 -8.703 -8.703 475 1HG PRO 63 HG2 PRO 63 12.859 -10.736 -10.736 476 2HG PRO 63 HG1 PRO 63 13.173 -10.210 -10.210 477 1HD PRO 63 HD2 PRO 63 11.872 -12.533 -12.533 478 2HD PRO 63 HD1 PRO 63 11.653 -11.674 -11.674 479 H TYR 64 HN TYR 64 7.941 -10.154 -10.154 480 HA TYR 64 HA TYR 64 9.253 -10.723 -10.723 481 1HB TYR 64 HB2 TYR 64 6.670 -11.208 -11.208 482 2HB TYR 64 HB1 TYR 64 6.545 -10.852 -10.852 483 HD1 TYR 64 HD1 TYR 64 8.673 -12.886 -12.886 484 HD2 TYR 64 HD2 TYR 64 6.744 -12.621 -12.621 485 HE1 TYR 64 HE1 TYR 64 9.420 -15.191 -15.191 486 HE2 TYR 64 HE2 TYR 64 7.491 -14.925 -14.925 487 HH TYR 64 HH TYR 64 8.358 -16.825 -16.825 488 H SER 65 HN SER 65 6.174 -9.135 -9.135 489 HA SER 65 HA SER 65 7.367 -6.725 -6.725 490 1HB SER 65 HB2 SER 65 5.099 -8.522 -8.522 491 2HB SER 65 HB1 SER 65 4.696 -6.809 -6.809 492 HG SER 65 HG SER 65 6.448 -8.353 -8.353 493 H ILE 66 HN ILE 66 6.465 -4.668 -4.668 494 HA ILE 66 HA ILE 66 4.878 -4.700 -4.700 495 HB ILE 66 HB ILE 66 7.231 -4.009 -4.009 496 1HG1 ILE 66 HG12 ILE 66 5.829 -1.387 -1.387 497 2HG1 ILE 66 HG11 ILE 66 5.086 -2.718 -2.718 498 1HG2 ILE 66 HG22 ILE 66 6.493 -2.294 -2.294 499 2HG2 ILE 66 HG21 ILE 66 7.675 -1.671 -1.671 500 3HG2 ILE 66 HG23 ILE 66 7.982 -3.187 -3.187 501 1HD1 ILE 66 HD12 ILE 66 7.895 -2.824 -2.824 502 2HD1 ILE 66 HD11 ILE 66 7.376 -1.157 -1.157 503 3HD1 ILE 66 HD13 ILE 66 6.612 -2.464 -2.464 Start of MODEL 27 1 1H HIS 1 HT2 HIS 1 5.784 -42.710 -42.710 2 2H HIS 1 HT1 HIS 1 4.217 -42.969 -42.969 3 3H HIS 1 HT3 HIS 1 5.042 -44.227 -44.227 4 HA HIS 1 HA HIS 1 4.811 -43.258 -43.258 5 1HB HIS 1 HB2 HIS 1 2.383 -42.793 -42.793 6 2HB HIS 1 HB1 HIS 1 2.328 -42.802 -42.802 7 HD1 HIS 1 HD1 HIS 1 2.241 -45.026 -45.026 8 HD2 HIS 1 HD2 HIS 1 3.204 -45.406 -45.406 9 HE1 HIS 1 HE1 HIS 1 2.222 -47.507 -47.507 10 H PHE 2 HN PHE 2 5.667 -41.407 -41.407 11 HA PHE 2 HA PHE 2 5.909 -38.882 -38.882 12 1HB PHE 2 HB2 PHE 2 6.880 -39.932 -39.932 13 2HB PHE 2 HB1 PHE 2 5.445 -39.262 -39.262 14 HD1 PHE 2 HD1 PHE 2 4.962 -36.763 -36.763 15 HD2 PHE 2 HD2 PHE 2 8.740 -38.560 -38.560 16 HE1 PHE 2 HE1 PHE 2 6.043 -34.531 -34.531 17 HE2 PHE 2 HE2 PHE 2 9.820 -36.329 -36.329 18 HZ PHE 2 HZ PHE 2 8.471 -34.314 -34.314 19 H ALA 3 HN ALA 3 4.265 -37.591 -37.591 20 HA ALA 3 HA ALA 3 1.956 -37.061 -37.061 21 1HB ALA 3 HB1 ALA 3 1.708 -38.992 -38.992 22 2HB ALA 3 HB3 ALA 3 1.423 -37.620 -37.620 23 3HB ALA 3 HB2 ALA 3 0.378 -37.880 -37.880 24 H ALA 4 HN ALA 4 1.111 -34.966 -34.966 25 HA ALA 4 HA ALA 4 2.761 -33.130 -33.130 26 1HB ALA 4 HB3 ALA 4 1.823 -32.893 -32.893 27 2HB ALA 4 HB2 ALA 4 0.329 -32.414 -32.414 28 3HB ALA 4 HB1 ALA 4 1.806 -31.480 -31.480 29 H ASP 5 HN ASP 5 1.654 -31.527 -31.527 30 HA ASP 5 HA ASP 5 -0.250 -32.842 -32.842 31 1HB ASP 5 HB2 ASP 5 1.140 -30.166 -30.166 32 2HB ASP 5 HB1 ASP 5 -0.063 -30.490 -30.490 33 H CYS 6 HN CYS 6 -2.289 -31.644 -31.644 34 HA CYS 6 HA CYS 6 -3.522 -30.098 -30.098 35 1HB CYS 6 HB2 CYS 6 -5.049 -32.213 -32.213 36 2HB CYS 6 HB1 CYS 6 -5.357 -31.571 -31.571 37 H CYS 7 HN CYS 7 -5.203 -28.640 -28.640 38 HA CYS 7 HA CYS 7 -4.955 -27.882 -27.882 39 1HB CYS 7 HB2 CYS 7 -5.755 -26.698 -26.698 40 2HB CYS 7 HB1 CYS 7 -6.722 -26.159 -26.159 41 H THR 8 HN THR 8 -6.597 -28.110 -28.110 42 HA THR 8 HA THR 8 -9.052 -29.583 -29.583 43 HB THR 8 HB THR 8 -7.443 -30.504 -30.504 44 HG1 THR 8 HG1 THR 8 -9.242 -30.801 -30.801 45 1HG2 THR 8 HG21 THR 8 -7.200 -28.057 -28.057 46 2HG2 THR 8 HG23 THR 8 -8.605 -28.509 -28.509 47 3HG2 THR 8 HG22 THR 8 -7.112 -29.439 -29.439 48 H SER 9 HN SER 9 -7.890 -26.582 -26.582 49 HA SER 9 HA SER 9 -10.570 -25.391 -25.391 50 1HB SER 9 HB2 SER 9 -9.278 -26.339 -26.339 51 2HB SER 9 HB1 SER 9 -9.768 -24.647 -24.647 52 HG SER 9 HG SER 9 -11.848 -25.252 -25.252 53 H TYR 10 HN TYR 10 -10.346 -23.163 -23.163 54 HA TYR 10 HA TYR 10 -7.584 -22.176 -22.176 55 1HB TYR 10 HB2 TYR 10 -10.306 -20.971 -20.971 56 2HB TYR 10 HB1 TYR 10 -8.760 -20.372 -20.372 57 HD1 TYR 10 HD1 TYR 10 -7.237 -22.390 -22.390 58 HD2 TYR 10 HD2 TYR 10 -11.527 -22.277 -22.277 59 HE1 TYR 10 HE1 TYR 10 -7.342 -24.002 -24.002 60 HE2 TYR 10 HE2 TYR 10 -11.636 -23.890 -23.890 61 HH TYR 10 HH TYR 10 -8.935 -25.657 -25.657 62 H ILE 11 HN ILE 11 -7.028 -19.964 -19.964 63 HA ILE 11 HA ILE 11 -7.385 -19.670 -19.670 64 HB ILE 11 HB ILE 11 -6.090 -17.696 -17.696 65 1HG1 ILE 11 HG12 ILE 11 -7.727 -16.634 -16.634 66 2HG1 ILE 11 HG11 ILE 11 -6.037 -16.367 -16.367 67 1HG2 ILE 11 HG22 ILE 11 -5.109 -19.899 -19.899 68 2HG2 ILE 11 HG21 ILE 11 -5.367 -19.166 -19.166 69 3HG2 ILE 11 HG23 ILE 11 -4.303 -18.384 -18.384 70 1HD1 ILE 11 HD11 ILE 11 -6.235 -18.427 -18.427 71 2HD1 ILE 11 HD13 ILE 11 -7.978 -18.317 -18.317 72 3HD1 ILE 11 HD12 ILE 11 -7.114 -16.994 -16.994 73 H SER 12 HN SER 12 -8.505 -17.870 -17.870 74 HA SER 12 HA SER 12 -11.162 -17.342 -17.342 75 1HB SER 12 HB2 SER 12 -11.738 -17.679 -17.679 76 2HB SER 12 HB1 SER 12 -10.039 -17.871 -17.871 77 HG SER 12 HG SER 12 -11.484 -16.030 -16.030 78 H GLN 13 HN GLN 13 -8.206 -15.847 -15.847 79 HA GLN 13 HA GLN 13 -9.455 -13.157 -13.157 80 1HB GLN 13 HB2 GLN 13 -7.419 -12.285 -12.285 81 2HB GLN 13 HB1 GLN 13 -8.617 -13.146 -13.146 82 1HG GLN 13 HG2 GLN 13 -7.191 -14.855 -14.855 83 2HG GLN 13 HG1 GLN 13 -6.570 -14.893 -14.893 84 1HE2 GLN 13 HE21 GLN 13 -5.845 -13.912 -13.912 85 2HE2 GLN 13 HE22 GLN 13 -4.459 -12.996 -12.996 86 H SER 14 HN SER 14 -7.245 -11.711 -11.711 87 HA SER 14 HA SER 14 -6.566 -12.608 -12.608 88 1HB SER 14 HB2 SER 14 -5.151 -10.603 -10.603 89 2HB SER 14 HB1 SER 14 -5.141 -10.631 -10.631 90 HG SER 14 HG SER 14 -6.673 -9.154 -9.154 91 H ILE 15 HN ILE 15 -4.414 -13.278 -13.278 92 HA ILE 15 HA ILE 15 -3.156 -15.248 -15.248 93 HB ILE 15 HB ILE 15 -2.552 -13.992 -13.992 94 1HG1 ILE 15 HG12 ILE 15 -4.526 -15.554 -15.554 95 2HG1 ILE 15 HG11 ILE 15 -3.346 -16.096 -16.096 96 1HG2 ILE 15 HG23 ILE 15 -0.431 -14.686 -14.686 97 2HG2 ILE 15 HG22 ILE 15 -1.110 -16.289 -16.289 98 3HG2 ILE 15 HG21 ILE 15 -0.831 -15.726 -15.726 99 1HD1 ILE 15 HD12 ILE 15 -2.580 -17.016 -17.016 100 2HD1 ILE 15 HD11 ILE 15 -4.237 -17.509 -17.509 101 3HD1 ILE 15 HD13 ILE 15 -2.931 -17.965 -17.965 102 HA PRO 16 HA PRO 16 -0.382 -12.359 -12.359 103 1HB PRO 16 HB2 PRO 16 0.967 -14.195 -14.195 104 2HB PRO 16 HB1 PRO 16 -0.660 -13.617 -13.617 105 1HG PRO 16 HG2 PRO 16 0.201 -16.187 -16.187 106 2HG PRO 16 HG1 PRO 16 -1.186 -15.828 -15.828 107 1HD PRO 16 HD2 PRO 16 -1.248 -16.191 -16.191 108 2HD PRO 16 HD1 PRO 16 -2.536 -15.484 -15.484 109 H CYS 17 HN CYS 17 0.553 -12.371 -12.371 110 HA CYS 17 HA CYS 17 2.804 -13.991 -13.991 111 1HB CYS 17 HB2 CYS 17 2.256 -11.109 -11.109 112 2HB CYS 17 HB1 CYS 17 3.125 -12.313 -12.313 113 H SER 18 HN SER 18 2.500 -11.571 -11.571 114 HA SER 18 HA SER 18 5.127 -10.403 -10.403 115 1HB SER 18 HB2 SER 18 2.879 -9.795 -9.795 116 2HB SER 18 HB1 SER 18 3.537 -10.811 -10.811 117 HG SER 18 HG SER 18 5.137 -8.839 -8.839 118 H LEU 19 HN LEU 19 4.323 -13.594 -13.594 119 HA LEU 19 HA LEU 19 6.864 -14.037 -14.037 120 1HB LEU 19 HB2 LEU 19 4.061 -14.572 -14.572 121 2HB LEU 19 HB1 LEU 19 5.197 -15.888 -15.888 122 HG LEU 19 HG LEU 19 6.670 -13.796 -13.796 123 1HD1 LEU 19 HD11 LEU 19 3.817 -12.961 -12.961 124 2HD1 LEU 19 HD13 LEU 19 4.724 -12.641 -12.641 125 3HD1 LEU 19 HD12 LEU 19 5.278 -11.974 -11.974 126 1HD2 LEU 19 HD23 LEU 19 5.845 -15.992 -15.992 127 2HD2 LEU 19 HD22 LEU 19 6.241 -14.623 -14.623 128 3HD2 LEU 19 HD21 LEU 19 4.557 -14.987 -14.987 129 H MET 20 HN MET 20 5.235 -14.635 -14.635 130 HA MET 20 HA MET 20 5.759 -17.557 -17.557 131 1HB MET 20 HB2 MET 20 4.712 -15.814 -15.814 132 2HB MET 20 HB1 MET 20 4.427 -17.528 -17.528 133 1HG MET 20 HG2 MET 20 3.515 -15.483 -15.483 134 2HG MET 20 HG1 MET 20 2.538 -15.835 -15.835 135 1HE MET 20 HE1 MET 20 0.805 -16.803 -16.803 136 2HE MET 20 HE3 MET 20 0.390 -18.343 -18.343 137 3HE MET 20 HE2 MET 20 0.474 -16.878 -16.878 138 H LYS 21 HN LYS 21 7.545 -18.375 -18.375 139 HA LYS 21 HA LYS 21 9.474 -16.547 -16.547 140 1HB LYS 21 HB2 LYS 21 11.017 -18.431 -18.431 141 2HB LYS 21 HB1 LYS 21 10.142 -18.034 -18.034 142 1HG LYS 21 HG2 LYS 21 8.746 -19.918 -19.918 143 2HG LYS 21 HG1 LYS 21 9.073 -20.118 -20.118 144 1HD LYS 21 HD2 LYS 21 11.327 -20.869 -20.869 145 2HD LYS 21 HD1 LYS 21 11.169 -20.473 -20.473 146 1HE LYS 21 HE2 LYS 21 10.765 -22.800 -22.800 147 2HE LYS 21 HE1 LYS 21 9.121 -22.136 -22.136 148 1HZ LYS 21 HZ3 LYS 21 10.705 -22.592 -22.592 149 2HZ LYS 21 HZ2 LYS 21 9.796 -23.851 -23.851 150 3HZ LYS 21 HZ1 LYS 21 9.024 -22.433 -22.433 151 H SER 22 HN SER 22 7.285 -19.194 -19.194 152 HA SER 22 HA SER 22 7.865 -18.900 -18.900 153 1HB SER 22 HB2 SER 22 9.499 -20.548 -20.548 154 2HB SER 22 HB1 SER 22 8.183 -21.498 -21.498 155 HG SER 22 HG SER 22 8.831 -21.042 -21.042 156 H TYR 23 HN TYR 23 6.287 -20.429 -20.429 157 HA TYR 23 HA TYR 23 3.820 -21.090 -21.090 158 1HB TYR 23 HB2 TYR 23 2.476 -19.594 -19.594 159 2HB TYR 23 HB1 TYR 23 3.813 -18.658 -18.658 160 HD1 TYR 23 HD1 TYR 23 2.780 -20.601 -20.601 161 HD2 TYR 23 HD2 TYR 23 5.319 -17.533 -17.533 162 HE1 TYR 23 HE1 TYR 23 3.534 -20.025 -20.025 163 HE2 TYR 23 HE2 TYR 23 6.074 -16.957 -16.957 164 HH TYR 23 HH TYR 23 6.230 -18.048 -18.048 165 H PHE 24 HN PHE 24 2.496 -22.652 -22.652 166 HA PHE 24 HA PHE 24 3.374 -23.409 -23.409 167 1HB PHE 24 HB2 PHE 24 4.111 -25.553 -25.553 168 2HB PHE 24 HB1 PHE 24 4.701 -24.571 -24.571 169 HD1 PHE 24 HD1 PHE 24 1.883 -26.805 -26.805 170 HD2 PHE 24 HD2 PHE 24 3.972 -24.959 -24.959 171 HE1 PHE 24 HE1 PHE 24 0.595 -28.185 -28.185 172 HE2 PHE 24 HE2 PHE 24 2.676 -26.345 -26.345 173 HZ PHE 24 HZ PHE 24 0.988 -27.957 -27.957 174 H GLU 25 HN GLU 25 1.726 -24.391 -24.391 175 HA GLU 25 HA GLU 25 -0.962 -24.406 -24.406 176 1HB GLU 25 HB2 GLU 25 -1.620 -24.754 -24.754 177 2HB GLU 25 HB1 GLU 25 -0.703 -23.278 -23.278 178 1HG GLU 25 HG2 GLU 25 1.198 -24.082 -24.082 179 2HG GLU 25 HG1 GLU 25 0.820 -25.764 -25.764 180 H THR 26 HN THR 26 -2.322 -26.335 -26.335 181 HA THR 26 HA THR 26 -0.824 -28.812 -28.812 182 HB THR 26 HB THR 26 -3.109 -29.691 -29.691 183 HG1 THR 26 HG1 THR 26 -3.907 -28.103 -28.103 184 1HG2 THR 26 HG23 THR 26 -2.059 -27.196 -27.196 185 2HG2 THR 26 HG22 THR 26 -3.734 -27.598 -27.598 186 3HG2 THR 26 HG21 THR 26 -2.445 -28.743 -28.743 187 H SER 27 HN SER 27 -2.355 -30.762 -30.762 188 HA SER 27 HA SER 27 -2.157 -30.166 -30.166 189 1HB SER 27 HB2 SER 27 -0.369 -31.586 -31.586 190 2HB SER 27 HB1 SER 27 -1.190 -32.413 -32.413 191 HG SER 27 HG SER 27 -0.978 -33.565 -33.565 192 H SER 28 HN SER 28 -3.344 -32.014 -32.014 193 HA SER 28 HA SER 28 -6.138 -31.967 -31.967 194 1HB SER 28 HB2 SER 28 -5.008 -32.065 -32.065 195 2HB SER 28 HB1 SER 28 -4.833 -33.793 -33.793 196 HG SER 28 HG SER 28 -6.819 -33.969 -33.969 197 H GLU 29 HN GLU 29 -3.496 -34.055 -34.055 198 HA GLU 29 HA GLU 29 -4.986 -36.485 -36.485 199 1HB GLU 29 HB2 GLU 29 -2.543 -36.269 -36.269 200 2HB GLU 29 HB1 GLU 29 -2.274 -35.564 -35.564 201 1HG GLU 29 HG2 GLU 29 -2.902 -37.576 -37.576 202 2HG GLU 29 HG1 GLU 29 -3.609 -38.253 -38.253 203 H CYS 30 HN CYS 30 -4.275 -33.558 -33.558 204 HA CYS 30 HA CYS 30 -4.633 -34.593 -34.593 205 1HB CYS 30 HB2 CYS 30 -4.349 -32.030 -32.030 206 2HB CYS 30 HB1 CYS 30 -5.304 -31.925 -31.925 207 H SER 31 HN SER 31 -6.537 -34.791 -34.791 208 HA SER 31 HA SER 31 -9.042 -35.085 -35.085 209 1HB SER 31 HB2 SER 31 -7.888 -35.557 -35.557 210 2HB SER 31 HB1 SER 31 -9.238 -34.470 -34.470 211 HG SER 31 HG SER 31 -9.400 -37.011 -37.011 212 H LYS 32 HN LYS 32 -7.387 -32.285 -32.285 213 HA LYS 32 HA LYS 32 -9.733 -30.603 -30.603 214 1HB LYS 32 HB2 LYS 32 -8.432 -30.894 -30.894 215 2HB LYS 32 HB1 LYS 32 -9.111 -29.331 -29.331 216 1HG LYS 32 HG2 LYS 32 -11.187 -30.822 -30.822 217 2HG LYS 32 HG1 LYS 32 -10.501 -31.945 -31.945 218 1HD LYS 32 HD2 LYS 32 -11.637 -30.730 -30.730 219 2HD LYS 32 HD1 LYS 32 -10.356 -29.535 -29.535 220 1HE LYS 32 HE2 LYS 32 -12.237 -28.215 -28.215 221 2HE LYS 32 HE1 LYS 32 -11.889 -28.794 -28.794 222 1HZ LYS 32 HZ3 LYS 32 -13.272 -30.846 -30.846 223 2HZ LYS 32 HZ2 LYS 32 -13.973 -29.637 -29.637 224 3HZ LYS 32 HZ1 LYS 32 -14.029 -29.515 -29.515 225 HA PRO 33 HA PRO 33 -6.293 -28.384 -28.384 226 1HB PRO 33 HB2 PRO 33 -7.720 -26.260 -26.260 227 2HB PRO 33 HB1 PRO 33 -7.675 -27.841 -27.841 228 1HG PRO 33 HG2 PRO 33 -9.781 -26.627 -26.627 229 2HG PRO 33 HG1 PRO 33 -9.945 -27.688 -27.688 230 1HD PRO 33 HD2 PRO 33 -10.202 -28.506 -28.506 231 2HD PRO 33 HD1 PRO 33 -9.795 -29.578 -29.578 232 H GLY 34 HN GLY 34 -5.618 -25.912 -25.912 233 1HA GLY 34 HA2 GLY 34 -6.103 -23.857 -23.857 234 2HA GLY 34 HA1 GLY 34 -6.035 -25.016 -25.016 235 H VAL 35 HN VAL 35 -4.282 -22.749 -22.749 236 HA VAL 35 HA VAL 35 -1.673 -24.104 -24.104 237 HB VAL 35 HB VAL 35 -1.940 -22.235 -22.235 238 1HG1 VAL 35 HG12 VAL 35 -3.255 -20.995 -20.995 239 2HG1 VAL 35 HG11 VAL 35 -2.600 -19.962 -19.962 240 3HG1 VAL 35 HG13 VAL 35 -3.862 -21.133 -21.133 241 1HG2 VAL 35 HG21 VAL 35 -0.034 -22.137 -22.137 242 2HG2 VAL 35 HG23 VAL 35 0.041 -21.299 -21.299 243 3HG2 VAL 35 HG22 VAL 35 -0.659 -20.495 -20.495 244 H ILE 36 HN ILE 36 -0.284 -24.380 -24.380 245 HA ILE 36 HA ILE 36 -1.070 -23.157 -23.157 246 HB ILE 36 HB ILE 36 0.308 -25.659 -25.659 247 1HG1 ILE 36 HG12 ILE 36 -1.841 -24.953 -24.953 248 2HG1 ILE 36 HG11 ILE 36 -2.037 -25.828 -25.828 249 1HG2 ILE 36 HG23 ILE 36 0.607 -24.456 -24.456 250 2HG2 ILE 36 HG22 ILE 36 1.118 -26.077 -26.077 251 3HG2 ILE 36 HG21 ILE 36 1.905 -24.664 -24.664 252 1HD1 ILE 36 HD11 ILE 36 -0.330 -26.816 -26.816 253 2HD1 ILE 36 HD13 ILE 36 -2.002 -27.310 -27.310 254 3HD1 ILE 36 HD12 ILE 36 -0.769 -27.707 -27.707 255 H PHE 37 HN PHE 37 0.242 -21.555 -21.555 256 HA PHE 37 HA PHE 37 2.779 -20.944 -20.944 257 1HB PHE 37 HB2 PHE 37 1.177 -19.602 -19.602 258 2HB PHE 37 HB1 PHE 37 2.665 -18.938 -18.938 259 HD1 PHE 37 HD1 PHE 37 -0.681 -20.230 -20.230 260 HD2 PHE 37 HD2 PHE 37 2.548 -17.491 -17.491 261 HE1 PHE 37 HE1 PHE 37 -1.983 -19.195 -19.195 262 HE2 PHE 37 HE2 PHE 37 1.245 -16.462 -16.462 263 HZ PHE 37 HZ PHE 37 -1.022 -17.308 -17.308 264 H LEU 38 HN LEU 38 4.774 -21.409 -21.409 265 HA LEU 38 HA LEU 38 4.831 -22.854 -22.854 266 1HB LEU 38 HB2 LEU 38 6.315 -22.772 -22.772 267 2HB LEU 38 HB1 LEU 38 7.391 -22.724 -22.724 268 HG LEU 38 HG LEU 38 6.938 -25.051 -25.051 269 1HD1 LEU 38 HD13 LEU 38 6.564 -23.920 -23.920 270 2HD1 LEU 38 HD12 LEU 38 5.379 -25.213 -25.213 271 3HD1 LEU 38 HD11 LEU 38 7.094 -25.554 -25.554 272 1HD2 LEU 38 HD23 LEU 38 4.705 -24.646 -24.646 273 2HD2 LEU 38 HD22 LEU 38 4.657 -25.955 -25.955 274 3HD2 LEU 38 HD21 LEU 38 4.051 -24.356 -24.356 275 H THR 39 HN THR 39 5.316 -21.651 -21.651 276 HA THR 39 HA THR 39 6.440 -18.940 -18.940 277 HB THR 39 HB THR 39 5.664 -18.627 -18.627 278 HG1 THR 39 HG1 THR 39 6.290 -20.130 -20.130 279 1HG2 THR 39 HG21 THR 39 3.958 -19.583 -19.583 280 2HG2 THR 39 HG23 THR 39 3.716 -20.778 -20.778 281 3HG2 THR 39 HG22 THR 39 3.440 -19.068 -19.068 282 H LYS 40 HN LYS 40 8.438 -18.296 -18.296 283 HA LYS 40 HA LYS 40 10.563 -20.224 -20.224 284 1HB LYS 40 HB2 LYS 40 10.951 -17.941 -17.941 285 2HB LYS 40 HB1 LYS 40 10.259 -17.330 -17.330 286 1HG LYS 40 HG2 LYS 40 12.659 -17.205 -17.205 287 2HG LYS 40 HG1 LYS 40 12.109 -18.530 -18.530 288 1HD LYS 40 HD2 LYS 40 12.598 -20.106 -20.106 289 2HD LYS 40 HD1 LYS 40 13.325 -18.749 -18.749 290 1HE LYS 40 HE2 LYS 40 15.209 -19.638 -19.638 291 2HE LYS 40 HE1 LYS 40 14.671 -18.479 -18.479 292 1HZ LYS 40 HZ3 LYS 40 13.340 -20.233 -20.233 293 2HZ LYS 40 HZ2 LYS 40 13.868 -21.342 -21.342 294 3HZ LYS 40 HZ1 LYS 40 14.971 -20.694 -20.694 295 H LYS 41 HN LYS 41 8.442 -18.874 -18.874 296 HA LYS 41 HA LYS 41 10.051 -19.563 -19.563 297 1HB LYS 41 HB2 LYS 41 7.783 -18.106 -18.106 298 2HB LYS 41 HB1 LYS 41 7.117 -19.514 -19.514 299 1HG LYS 41 HG2 LYS 41 9.514 -18.596 -18.596 300 2HG LYS 41 HG1 LYS 41 8.353 -17.277 -17.277 301 1HD LYS 41 HD2 LYS 41 6.593 -18.943 -18.943 302 2HD LYS 41 HD1 LYS 41 7.950 -19.975 -19.975 303 1HE LYS 41 HE2 LYS 41 7.829 -18.779 -18.779 304 2HE LYS 41 HE1 LYS 41 8.760 -17.579 -17.579 305 1HZ LYS 41 HZ1 LYS 41 5.809 -17.712 -17.712 306 2HZ LYS 41 HZ3 LYS 41 6.560 -16.829 -16.829 307 3HZ LYS 41 HZ2 LYS 41 6.837 -16.416 -16.416 308 H GLY 42 HN GLY 42 8.546 -21.525 -21.525 309 1HA GLY 42 HA2 GLY 42 8.503 -23.918 -23.918 310 2HA GLY 42 HA1 GLY 42 8.681 -23.835 -23.835 311 H ARG 43 HN ARG 43 6.311 -22.676 -22.676 312 HA ARG 43 HA ARG 43 4.158 -24.092 -24.092 313 1HB ARG 43 HB2 ARG 43 4.827 -21.399 -21.399 314 2HB ARG 43 HB1 ARG 43 3.406 -21.347 -21.347 315 1HG ARG 43 HG2 ARG 43 2.926 -23.376 -23.376 316 2HG ARG 43 HG1 ARG 43 3.556 -21.984 -21.984 317 1HD ARG 43 HD2 ARG 43 1.775 -20.841 -20.841 318 2HD ARG 43 HD1 ARG 43 0.951 -22.321 -22.321 319 HE ARG 43 HE ARG 43 2.228 -20.768 -20.768 320 1HH1 ARG 43 HH11 ARG 43 0.118 -19.019 -19.019 321 2HH1 ARG 43 HH12 ARG 43 -1.289 -19.473 -19.473 322 1HH2 ARG 43 HH21 ARG 43 0.103 -22.413 -22.413 323 2HH2 ARG 43 HH22 ARG 43 -1.298 -21.395 -21.395 324 H GLN 44 HN GLN 44 1.970 -23.500 -23.500 325 HA GLN 44 HA GLN 44 2.505 -23.159 -23.159 326 1HB GLN 44 HB2 GLN 44 1.119 -25.270 -25.270 327 2HB GLN 44 HB1 GLN 44 2.715 -25.523 -25.523 328 1HG GLN 44 HG2 GLN 44 1.863 -26.179 -26.179 329 2HG GLN 44 HG1 GLN 44 0.554 -24.999 -24.999 330 1HE2 GLN 44 HE21 GLN 44 -0.691 -25.728 -25.728 331 2HE2 GLN 44 HE22 GLN 44 -1.320 -27.298 -27.298 332 H VAL 45 HN VAL 45 0.782 -22.198 -22.198 333 HA VAL 45 HA VAL 45 -1.704 -21.683 -21.683 334 HB VAL 45 HB VAL 45 -0.224 -20.063 -20.063 335 1HG1 VAL 45 HG11 VAL 45 -2.925 -19.688 -19.688 336 2HG1 VAL 45 HG13 VAL 45 -2.005 -18.313 -18.313 337 3HG1 VAL 45 HG12 VAL 45 -2.507 -19.595 -19.595 338 1HG2 VAL 45 HG23 VAL 45 -0.429 -20.036 -20.036 339 2HG2 VAL 45 HG22 VAL 45 0.908 -19.544 -19.544 340 3HG2 VAL 45 HG21 VAL 45 -0.465 -18.464 -18.464 341 H CYS 46 HN CYS 46 -3.712 -21.861 -21.861 342 HA CYS 46 HA CYS 46 -3.468 -23.330 -23.330 343 1HB CYS 46 HB2 CYS 46 -5.014 -23.638 -23.638 344 2HB CYS 46 HB1 CYS 46 -6.055 -23.608 -23.608 345 H ALA 47 HN ALA 47 -4.200 -22.240 -22.240 346 HA ALA 47 HA ALA 47 -6.194 -20.040 -20.040 347 1HB ALA 47 HB1 ALA 47 -3.598 -20.126 -20.126 348 2HB ALA 47 HB3 ALA 47 -4.850 -18.949 -18.949 349 3HB ALA 47 HB2 ALA 47 -4.120 -18.953 -18.953 350 H LYS 48 HN LYS 48 -7.592 -19.664 -19.664 351 HA LYS 48 HA LYS 48 -8.444 -22.017 -22.017 352 1HB LYS 48 HB2 LYS 48 -9.087 -19.159 -19.159 353 2HB LYS 48 HB1 LYS 48 -9.466 -19.817 -19.817 354 1HG LYS 48 HG2 LYS 48 -10.450 -21.808 -21.808 355 2HG LYS 48 HG1 LYS 48 -10.637 -20.477 -20.477 356 1HD LYS 48 HD2 LYS 48 -11.486 -19.592 -19.592 357 2HD LYS 48 HD1 LYS 48 -12.296 -21.113 -21.113 358 1HE LYS 48 HE2 LYS 48 -13.071 -20.197 -20.197 359 2HE LYS 48 HE1 LYS 48 -12.212 -18.680 -18.680 360 1HZ LYS 48 HZ1 LYS 48 -13.493 -18.454 -18.454 361 2HZ LYS 48 HZ3 LYS 48 -14.334 -19.885 -19.885 362 3HZ LYS 48 HZ2 LYS 48 -14.526 -18.526 -18.526 363 HA PRO 49 HA PRO 49 -6.100 -21.919 -21.919 364 1HB PRO 49 HB2 PRO 49 -7.947 -21.939 -21.939 365 2HB PRO 49 HB1 PRO 49 -7.608 -23.350 -23.350 366 1HG PRO 49 HG2 PRO 49 -9.842 -21.379 -21.379 367 2HG PRO 49 HG1 PRO 49 -9.873 -23.133 -23.133 368 1HD PRO 49 HD2 PRO 49 -9.888 -21.364 -21.364 369 2HD PRO 49 HD1 PRO 49 -9.188 -22.991 -22.991 370 H SER 50 HN SER 50 -8.744 -19.538 -19.538 371 HA SER 50 HA SER 50 -6.893 -17.615 -17.615 372 1HB SER 50 HB2 SER 50 -9.896 -17.790 -17.790 373 2HB SER 50 HB1 SER 50 -8.753 -16.869 -16.869 374 HG SER 50 HG SER 50 -9.547 -19.071 -19.071 375 H GLY 51 HN GLY 51 -7.449 -17.995 -17.995 376 1HA GLY 51 HA2 GLY 51 -9.331 -16.237 -16.237 377 2HA GLY 51 HA1 GLY 51 -7.766 -16.567 -16.567 378 HA PRO 52 HA PRO 52 -8.075 -12.293 -12.293 379 1HB PRO 52 HB2 PRO 52 -9.306 -10.752 -10.752 380 2HB PRO 52 HB1 PRO 52 -10.185 -11.549 -11.549 381 1HG PRO 52 HG2 PRO 52 -9.848 -12.397 -12.397 382 2HG PRO 52 HG1 PRO 52 -11.290 -12.453 -12.453 383 1HD PRO 52 HD2 PRO 52 -9.759 -14.634 -14.634 384 2HD PRO 52 HD1 PRO 52 -10.637 -14.411 -14.411 385 H GLY 53 HN GLY 53 -5.810 -12.342 -12.342 386 1HA GLY 53 HA2 GLY 53 -4.249 -10.764 -10.764 387 2HA GLY 53 HA1 GLY 53 -5.001 -11.359 -11.359 388 H VAL 54 HN VAL 54 -5.157 -14.128 -14.128 389 HA VAL 54 HA VAL 54 -2.692 -15.173 -15.173 390 HB VAL 54 HB VAL 54 -4.889 -16.273 -16.273 391 1HG1 VAL 54 HG13 VAL 54 -2.618 -17.467 -17.467 392 2HG1 VAL 54 HG12 VAL 54 -2.864 -17.912 -17.912 393 3HG1 VAL 54 HG11 VAL 54 -4.004 -18.459 -18.459 394 1HG2 VAL 54 HG23 VAL 54 -5.077 -15.514 -15.514 395 2HG2 VAL 54 HG22 VAL 54 -5.943 -16.916 -16.916 396 3HG2 VAL 54 HG21 VAL 54 -4.426 -17.134 -17.134 397 H GLN 55 HN GLN 55 -3.816 -14.604 -14.604 398 HA GLN 55 HA GLN 55 -1.463 -15.703 -15.703 399 1HB GLN 55 HB2 GLN 55 -3.596 -15.413 -15.413 400 2HB GLN 55 HB1 GLN 55 -3.552 -13.675 -13.675 401 1HG GLN 55 HG2 GLN 55 -2.403 -13.412 -13.412 402 2HG GLN 55 HG1 GLN 55 -1.090 -14.376 -14.376 403 1HE2 GLN 55 HE21 GLN 55 -2.137 -16.929 -16.929 404 2HE2 GLN 55 HE22 GLN 55 -2.605 -17.460 -17.460 405 H ASP 56 HN ASP 56 -2.387 -12.429 -12.429 406 HA ASP 56 HA ASP 56 -0.065 -11.094 -11.094 407 1HB ASP 56 HB2 ASP 56 -2.318 -10.613 -10.613 408 2HB ASP 56 HB1 ASP 56 -0.873 -9.668 -9.668 409 H CYS 57 HN CYS 57 -0.740 -13.004 -13.004 410 HA CYS 57 HA CYS 57 1.543 -12.220 -12.220 411 1HB CYS 57 HB2 CYS 57 -0.591 -13.450 -13.450 412 2HB CYS 57 HB1 CYS 57 0.107 -14.892 -14.892 413 H MET 58 HN MET 58 0.940 -15.044 -15.044 414 HA MET 58 HA MET 58 3.632 -16.064 -16.064 415 1HB MET 58 HB2 MET 58 1.569 -16.373 -16.373 416 2HB MET 58 HB1 MET 58 2.870 -17.492 -17.492 417 1HG MET 58 HG2 MET 58 1.812 -17.703 -17.703 418 2HG MET 58 HG1 MET 58 0.423 -16.833 -16.833 419 1HE MET 58 HE3 MET 58 -0.165 -17.216 -17.216 420 2HE MET 58 HE2 MET 58 0.403 -18.569 -18.569 421 3HE MET 58 HE1 MET 58 -1.167 -18.662 -18.662 422 H LYS 59 HN LYS 59 2.113 -13.533 -13.533 423 HA LYS 59 HA LYS 59 3.950 -13.414 -13.414 424 1HB LYS 59 HB2 LYS 59 1.729 -11.958 -11.958 425 2HB LYS 59 HB1 LYS 59 2.989 -10.827 -10.827 426 1HG LYS 59 HG2 LYS 59 1.993 -13.048 -13.048 427 2HG LYS 59 HG1 LYS 59 1.279 -11.436 -11.436 428 1HD LYS 59 HD2 LYS 59 3.789 -10.657 -10.657 429 2HD LYS 59 HD1 LYS 59 4.017 -12.294 -12.294 430 1HE LYS 59 HE2 LYS 59 1.632 -11.165 -11.165 431 2HE LYS 59 HE1 LYS 59 3.001 -10.064 -10.064 432 1HZ LYS 59 HZ1 LYS 59 4.294 -12.187 -12.187 433 2HZ LYS 59 HZ3 LYS 59 2.781 -12.933 -12.933 434 3HZ LYS 59 HZ2 LYS 59 3.201 -11.631 -11.631 435 H LYS 60 HN LYS 60 3.784 -11.565 -11.565 436 HA LYS 60 HA LYS 60 6.301 -10.209 -10.209 437 1HB LYS 60 HB2 LYS 60 4.120 -10.097 -10.097 438 2HB LYS 60 HB1 LYS 60 5.411 -10.675 -10.675 439 1HG LYS 60 HG2 LYS 60 5.550 -8.217 -8.217 440 2HG LYS 60 HG1 LYS 60 5.335 -8.206 -8.206 441 1HD LYS 60 HD2 LYS 60 7.528 -9.675 -9.675 442 2HD LYS 60 HD1 LYS 60 7.763 -8.932 -8.932 443 1HE LYS 60 HE2 LYS 60 8.027 -6.796 -6.796 444 2HE LYS 60 HE1 LYS 60 7.055 -7.171 -7.171 445 1HZ LYS 60 HZ1 LYS 60 9.560 -8.638 -8.638 446 2HZ LYS 60 HZ3 LYS 60 9.616 -7.128 -7.128 447 3HZ LYS 60 HZ2 LYS 60 8.762 -8.412 -8.412 448 H LEU 61 HN LEU 61 5.421 -13.389 -13.389 449 HA LEU 61 HA LEU 61 7.867 -13.886 -13.886 450 1HB LEU 61 HB2 LEU 61 5.365 -15.174 -15.174 451 2HB LEU 61 HB1 LEU 61 6.707 -16.304 -16.304 452 HG LEU 61 HG LEU 61 7.412 -15.960 -15.960 453 1HD1 LEU 61 HD11 LEU 61 5.793 -13.499 -13.499 454 2HD1 LEU 61 HD13 LEU 61 5.687 -14.276 -14.276 455 3HD1 LEU 61 HD12 LEU 61 7.255 -13.776 -13.776 456 1HD2 LEU 61 HD22 LEU 61 4.446 -16.289 -16.289 457 2HD2 LEU 61 HD21 LEU 61 5.646 -17.502 -17.502 458 3HD2 LEU 61 HD23 LEU 61 5.132 -16.293 -16.293 459 H LYS 62 HN LYS 62 7.444 -13.368 -13.368 460 HA LYS 62 HA LYS 62 9.544 -15.363 -15.363 461 1HB LYS 62 HB2 LYS 62 7.013 -14.507 -14.507 462 2HB LYS 62 HB1 LYS 62 8.310 -14.227 -14.227 463 1HG LYS 62 HG2 LYS 62 7.924 -16.844 -16.844 464 2HG LYS 62 HG1 LYS 62 7.271 -16.529 -16.529 465 1HD LYS 62 HD2 LYS 62 9.304 -16.749 -16.749 466 2HD LYS 62 HD1 LYS 62 10.120 -15.843 -15.843 467 1HE LYS 62 HE2 LYS 62 10.726 -17.749 -17.749 468 2HE LYS 62 HE1 LYS 62 9.121 -18.474 -18.474 469 1HZ LYS 62 HZ2 LYS 62 9.857 -18.514 -18.514 470 2HZ LYS 62 HZ1 LYS 62 11.425 -18.469 -18.469 471 3HZ LYS 62 HZ3 LYS 62 10.376 -19.742 -19.742 472 HA PRO 63 HA PRO 63 11.437 -11.165 -11.165 473 1HB PRO 63 HB2 PRO 63 13.683 -11.733 -11.733 474 2HB PRO 63 HB1 PRO 63 12.174 -11.168 -11.168 475 1HG PRO 63 HG2 PRO 63 13.337 -13.893 -13.893 476 2HG PRO 63 HG1 PRO 63 12.356 -13.129 -13.129 477 1HD PRO 63 HD2 PRO 63 11.440 -14.962 -14.962 478 2HD PRO 63 HD1 PRO 63 10.421 -13.872 -13.872 479 H TYR 64 HN TYR 64 11.947 -11.467 -11.467 480 HA TYR 64 HA TYR 64 14.191 -13.331 -13.331 481 1HB TYR 64 HB2 TYR 64 11.681 -12.609 -12.609 482 2HB TYR 64 HB1 TYR 64 12.956 -12.130 -12.130 483 HD1 TYR 64 HD1 TYR 64 12.650 -14.974 -14.974 484 HD2 TYR 64 HD2 TYR 64 13.179 -13.761 -13.761 485 HE1 TYR 64 HE1 TYR 64 12.957 -17.344 -17.344 486 HE2 TYR 64 HE2 TYR 64 13.486 -16.131 -16.131 487 HH TYR 64 HH TYR 64 13.782 -18.680 -18.680 488 H SER 65 HN SER 65 14.513 -10.596 -10.596 489 HA SER 65 HA SER 65 16.226 -9.415 -9.415 490 1HB SER 65 HB2 SER 65 13.944 -8.296 -8.296 491 2HB SER 65 HB1 SER 65 14.770 -7.786 -7.786 492 HG SER 65 HG SER 65 16.472 -7.175 -7.175 493 H ILE 66 HN ILE 66 17.436 -11.134 -11.134 494 HA ILE 66 HA ILE 66 18.292 -10.105 -10.105 495 HB ILE 66 HB ILE 66 19.703 -11.942 -11.942 496 1HG1 ILE 66 HG12 ILE 66 18.209 -13.126 -13.126 497 2HG1 ILE 66 HG11 ILE 66 17.178 -12.260 -12.260 498 1HG2 ILE 66 HG23 ILE 66 20.095 -11.215 -11.215 499 2HG2 ILE 66 HG22 ILE 66 20.334 -12.903 -12.903 500 3HG2 ILE 66 HG21 ILE 66 21.292 -11.640 -11.640 501 1HD1 ILE 66 HD13 ILE 66 19.099 -13.756 -13.756 502 2HD1 ILE 66 HD12 ILE 66 18.371 -14.837 -14.837 503 3HD1 ILE 66 HD11 ILE 66 17.349 -13.967 -13.967 Start of MODEL 28 1 1H HIS 1 HT2 HIS 1 3.824 -36.026 -36.026 2 2H HIS 1 HT1 HIS 1 5.096 -34.914 -34.914 3 3H HIS 1 HT3 HIS 1 3.918 -34.665 -34.665 4 HA HIS 1 HA HIS 1 5.584 -35.540 -35.540 5 1HB HIS 1 HB2 HIS 1 6.221 -36.982 -36.982 6 2HB HIS 1 HB1 HIS 1 7.040 -37.380 -37.380 7 HD1 HIS 1 HD1 HIS 1 8.495 -36.041 -36.041 8 HD2 HIS 1 HD2 HIS 1 7.042 -33.995 -33.995 9 HE1 HIS 1 HE1 HIS 1 9.789 -33.867 -33.867 10 H PHE 2 HN PHE 2 3.019 -36.241 -36.241 11 HA PHE 2 HA PHE 2 3.176 -39.118 -39.118 12 1HB PHE 2 HB2 PHE 2 2.296 -39.017 -39.017 13 2HB PHE 2 HB1 PHE 2 1.047 -37.887 -37.887 14 HD1 PHE 2 HD1 PHE 2 2.440 -41.192 -41.192 15 HD2 PHE 2 HD2 PHE 2 -1.055 -38.810 -38.810 16 HE1 PHE 2 HE1 PHE 2 0.997 -43.096 -43.096 17 HE2 PHE 2 HE2 PHE 2 -2.497 -40.714 -40.714 18 HZ PHE 2 HZ PHE 2 -1.472 -42.856 -42.856 19 H ALA 3 HN ALA 3 1.822 -39.621 -39.621 20 HA ALA 3 HA ALA 3 0.566 -39.152 -39.152 21 1HB ALA 3 HB1 ALA 3 -0.735 -37.990 -37.990 22 2HB ALA 3 HB3 ALA 3 -1.235 -37.231 -37.231 23 3HB ALA 3 HB2 ALA 3 -1.431 -38.969 -38.969 24 H ALA 4 HN ALA 4 -0.151 -37.221 -37.221 25 HA ALA 4 HA ALA 4 2.114 -35.430 -35.430 26 1HB ALA 4 HB1 ALA 4 -0.093 -36.449 -36.449 27 2HB ALA 4 HB3 ALA 4 -0.255 -34.693 -34.693 28 3HB ALA 4 HB2 ALA 4 1.223 -35.448 -35.448 29 H ASP 5 HN ASP 5 0.617 -33.088 -33.088 30 HA ASP 5 HA ASP 5 -0.311 -32.069 -32.069 31 1HB ASP 5 HB2 ASP 5 1.110 -30.548 -30.548 32 2HB ASP 5 HB1 ASP 5 0.814 -30.001 -30.001 33 H CYS 6 HN CYS 6 -2.494 -31.683 -31.683 34 HA CYS 6 HA CYS 6 -3.511 -30.168 -30.168 35 1HB CYS 6 HB2 CYS 6 -4.587 -32.822 -32.822 36 2HB CYS 6 HB1 CYS 6 -5.363 -31.815 -31.815 37 H CYS 7 HN CYS 7 -4.907 -28.606 -28.606 38 HA CYS 7 HA CYS 7 -5.746 -28.599 -28.599 39 1HB CYS 7 HB2 CYS 7 -5.961 -26.563 -26.563 40 2HB CYS 7 HB1 CYS 7 -6.189 -26.254 -26.254 41 H THR 8 HN THR 8 -7.897 -28.808 -28.808 42 HA THR 8 HA THR 8 -9.880 -29.434 -29.434 43 HB THR 8 HB THR 8 -9.486 -30.953 -30.953 44 HG1 THR 8 HG1 THR 8 -11.830 -30.774 -30.774 45 1HG2 THR 8 HG23 THR 8 -9.446 -28.542 -28.542 46 2HG2 THR 8 HG22 THR 8 -10.950 -29.320 -29.320 47 3HG2 THR 8 HG21 THR 8 -9.413 -30.162 -30.162 48 H SER 9 HN SER 9 -8.886 -26.907 -26.907 49 HA SER 9 HA SER 9 -11.324 -25.328 -25.328 50 1HB SER 9 HB2 SER 9 -11.228 -26.455 -26.455 51 2HB SER 9 HB1 SER 9 -10.042 -25.200 -25.200 52 HG SER 9 HG SER 9 -11.615 -23.849 -23.849 53 H TYR 10 HN TYR 10 -10.419 -23.047 -23.047 54 HA TYR 10 HA TYR 10 -7.688 -22.466 -22.466 55 1HB TYR 10 HB2 TYR 10 -10.199 -20.952 -20.952 56 2HB TYR 10 HB1 TYR 10 -8.554 -20.473 -20.473 57 HD1 TYR 10 HD1 TYR 10 -7.092 -22.414 -22.414 58 HD2 TYR 10 HD2 TYR 10 -11.385 -22.254 -22.254 59 HE1 TYR 10 HE1 TYR 10 -7.153 -23.935 -23.935 60 HE2 TYR 10 HE2 TYR 10 -11.445 -23.770 -23.770 61 HH TYR 10 HH TYR 10 -8.583 -24.590 -24.590 62 H ILE 11 HN ILE 11 -6.928 -20.312 -20.312 63 HA ILE 11 HA ILE 11 -7.250 -19.959 -19.959 64 HB ILE 11 HB ILE 11 -6.073 -17.896 -17.896 65 1HG1 ILE 11 HG12 ILE 11 -7.766 -16.974 -16.974 66 2HG1 ILE 11 HG11 ILE 11 -6.099 -16.667 -16.667 67 1HG2 ILE 11 HG23 ILE 11 -4.958 -20.055 -20.055 68 2HG2 ILE 11 HG22 ILE 11 -5.320 -19.476 -19.476 69 3HG2 ILE 11 HG21 ILE 11 -4.277 -18.529 -18.529 70 1HD1 ILE 11 HD12 ILE 11 -6.268 -18.818 -18.818 71 2HD1 ILE 11 HD11 ILE 11 -8.008 -18.730 -18.730 72 3HD1 ILE 11 HD13 ILE 11 -7.184 -17.431 -17.431 73 H SER 12 HN SER 12 -8.270 -17.921 -17.921 74 HA SER 12 HA SER 12 -11.069 -17.709 -17.709 75 1HB SER 12 HB2 SER 12 -11.375 -17.735 -17.735 76 2HB SER 12 HB1 SER 12 -9.631 -17.772 -17.772 77 HG SER 12 HG SER 12 -11.269 -15.820 -15.820 78 H GLN 13 HN GLN 13 -8.238 -16.014 -16.014 79 HA GLN 13 HA GLN 13 -9.755 -13.595 -13.595 80 1HB GLN 13 HB2 GLN 13 -7.925 -12.238 -12.238 81 2HB GLN 13 HB1 GLN 13 -9.152 -12.997 -12.997 82 1HG GLN 13 HG2 GLN 13 -7.692 -14.706 -14.706 83 2HG GLN 13 HG1 GLN 13 -6.591 -14.443 -14.443 84 1HE2 GLN 13 HE21 GLN 13 -6.534 -14.124 -14.124 85 2HE2 GLN 13 HE22 GLN 13 -5.657 -12.681 -12.681 86 H SER 14 HN SER 14 -7.574 -12.000 -12.000 87 HA SER 14 HA SER 14 -6.634 -13.194 -13.194 88 1HB SER 14 HB2 SER 14 -6.445 -10.678 -10.678 89 2HB SER 14 HB1 SER 14 -4.998 -11.030 -11.030 90 HG SER 14 HG SER 14 -6.616 -9.893 -9.893 91 H ILE 15 HN ILE 15 -4.544 -14.012 -14.012 92 HA ILE 15 HA ILE 15 -3.112 -15.331 -15.331 93 HB ILE 15 HB ILE 15 -2.600 -14.819 -14.819 94 1HG1 ILE 15 HG12 ILE 15 -4.511 -16.322 -16.322 95 2HG1 ILE 15 HG11 ILE 15 -3.361 -17.059 -17.059 96 1HG2 ILE 15 HG21 ILE 15 -0.481 -15.128 -15.128 97 2HG2 ILE 15 HG23 ILE 15 -1.080 -16.730 -16.730 98 3HG2 ILE 15 HG22 ILE 15 -0.742 -16.340 -16.340 99 1HD1 ILE 15 HD13 ILE 15 -2.134 -18.012 -18.012 100 2HD1 ILE 15 HD12 ILE 15 -3.368 -17.344 -17.344 101 3HD1 ILE 15 HD11 ILE 15 -3.796 -18.593 -18.593 102 HA PRO 16 HA PRO 16 -0.475 -11.894 -11.894 103 1HB PRO 16 HB2 PRO 16 1.218 -13.234 -13.234 104 2HB PRO 16 HB1 PRO 16 -0.425 -12.763 -12.763 105 1HG PRO 16 HG2 PRO 16 0.629 -15.408 -15.408 106 2HG PRO 16 HG1 PRO 16 -0.623 -15.019 -15.019 107 1HD PRO 16 HD2 PRO 16 -1.090 -15.927 -15.927 108 2HD PRO 16 HD1 PRO 16 -2.269 -15.057 -15.057 109 H CYS 17 HN CYS 17 0.418 -11.841 -11.841 110 HA CYS 17 HA CYS 17 2.499 -13.530 -13.530 111 1HB CYS 17 HB2 CYS 17 2.169 -10.563 -10.563 112 2HB CYS 17 HB1 CYS 17 2.837 -11.760 -11.760 113 H SER 18 HN SER 18 2.536 -10.793 -10.793 114 HA SER 18 HA SER 18 5.367 -10.245 -10.245 115 1HB SER 18 HB2 SER 18 3.581 -8.717 -8.717 116 2HB SER 18 HB1 SER 18 3.323 -9.778 -9.778 117 HG SER 18 HG SER 18 4.895 -7.841 -7.841 118 H LEU 19 HN LEU 19 4.055 -13.110 -13.110 119 HA LEU 19 HA LEU 19 6.198 -13.537 -13.537 120 1HB LEU 19 HB2 LEU 19 3.251 -14.182 -14.182 121 2HB LEU 19 HB1 LEU 19 4.386 -15.095 -15.095 122 HG LEU 19 HG LEU 19 4.312 -12.073 -12.073 123 1HD1 LEU 19 HD11 LEU 19 2.100 -13.379 -13.379 124 2HD1 LEU 19 HD13 LEU 19 2.990 -13.728 -13.728 125 3HD1 LEU 19 HD12 LEU 19 2.678 -12.057 -12.057 126 1HD2 LEU 19 HD23 LEU 19 5.595 -14.267 -14.267 127 2HD2 LEU 19 HD22 LEU 19 6.257 -12.710 -12.710 128 3HD2 LEU 19 HD21 LEU 19 5.130 -12.797 -12.797 129 H MET 20 HN MET 20 4.888 -14.461 -14.461 130 HA MET 20 HA MET 20 5.677 -17.322 -17.322 131 1HB MET 20 HB2 MET 20 4.472 -15.968 -15.968 132 2HB MET 20 HB1 MET 20 4.372 -17.665 -17.665 133 1HG MET 20 HG2 MET 20 3.185 -15.446 -15.446 134 2HG MET 20 HG1 MET 20 2.273 -16.275 -16.275 135 1HE MET 20 HE1 MET 20 0.645 -16.834 -16.834 136 2HE MET 20 HE3 MET 20 0.581 -18.593 -18.593 137 3HE MET 20 HE2 MET 20 0.505 -17.558 -17.558 138 H LYS 21 HN LYS 21 7.518 -18.101 -18.101 139 HA LYS 21 HA LYS 21 9.292 -16.165 -16.165 140 1HB LYS 21 HB2 LYS 21 10.955 -17.978 -17.978 141 2HB LYS 21 HB1 LYS 21 10.124 -17.559 -17.559 142 1HG LYS 21 HG2 LYS 21 8.968 -19.551 -19.551 143 2HG LYS 21 HG1 LYS 21 8.903 -19.700 -19.700 144 1HD LYS 21 HD2 LYS 21 10.927 -20.764 -20.764 145 2HD LYS 21 HD1 LYS 21 11.610 -19.830 -19.830 146 1HE LYS 21 HE2 LYS 21 10.972 -21.378 -21.378 147 2HE LYS 21 HE1 LYS 21 9.407 -21.658 -21.658 148 1HZ LYS 21 HZ1 LYS 21 10.765 -22.720 -22.720 149 2HZ LYS 21 HZ3 LYS 21 12.066 -22.735 -22.735 150 3HZ LYS 21 HZ2 LYS 21 10.650 -23.601 -23.601 151 H SER 22 HN SER 22 7.222 -18.895 -18.895 152 HA SER 22 HA SER 22 7.759 -18.575 -18.575 153 1HB SER 22 HB2 SER 22 9.495 -20.139 -20.139 154 2HB SER 22 HB1 SER 22 8.160 -21.275 -21.275 155 HG SER 22 HG SER 22 9.388 -21.512 -21.512 156 H TYR 23 HN TYR 23 6.340 -20.309 -20.309 157 HA TYR 23 HA TYR 23 3.944 -21.145 -21.145 158 1HB TYR 23 HB2 TYR 23 2.456 -19.812 -19.812 159 2HB TYR 23 HB1 TYR 23 3.749 -18.728 -18.728 160 HD1 TYR 23 HD1 TYR 23 2.364 -20.663 -20.663 161 HD2 TYR 23 HD2 TYR 23 5.373 -17.864 -17.864 162 HE1 TYR 23 HE1 TYR 23 2.890 -20.174 -20.174 163 HE2 TYR 23 HE2 TYR 23 5.900 -17.375 -17.375 164 HH TYR 23 HH TYR 23 5.579 -18.041 -18.041 165 H PHE 24 HN PHE 24 2.742 -22.818 -22.818 166 HA PHE 24 HA PHE 24 3.762 -23.600 -23.600 167 1HB PHE 24 HB2 PHE 24 4.582 -25.700 -25.700 168 2HB PHE 24 HB1 PHE 24 5.145 -24.588 -24.588 169 HD1 PHE 24 HD1 PHE 24 2.429 -27.017 -27.017 170 HD2 PHE 24 HD2 PHE 24 4.487 -24.847 -24.847 171 HE1 PHE 24 HE1 PHE 24 1.237 -28.337 -28.337 172 HE2 PHE 24 HE2 PHE 24 3.291 -26.169 -26.169 173 HZ PHE 24 HZ PHE 24 1.666 -27.914 -27.914 174 H GLU 25 HN GLU 25 2.309 -24.955 -24.955 175 HA GLU 25 HA GLU 25 -0.464 -24.951 -24.951 176 1HB GLU 25 HB2 GLU 25 0.961 -25.143 -25.143 177 2HB GLU 25 HB1 GLU 25 -0.587 -25.981 -25.981 178 1HG GLU 25 HG2 GLU 25 -1.779 -24.013 -24.013 179 2HG GLU 25 HG1 GLU 25 -0.380 -23.168 -23.168 180 H THR 26 HN THR 26 -1.557 -26.848 -26.848 181 HA THR 26 HA THR 26 -0.083 -29.221 -29.221 182 HB THR 26 HB THR 26 -2.401 -30.124 -30.124 183 HG1 THR 26 HG1 THR 26 -3.582 -29.218 -29.218 184 1HG2 THR 26 HG23 THR 26 -1.181 -27.828 -27.828 185 2HG2 THR 26 HG22 THR 26 -2.931 -27.614 -27.614 186 3HG2 THR 26 HG21 THR 26 -2.215 -29.045 -29.045 187 H SER 27 HN SER 27 -1.333 -31.400 -31.400 188 HA SER 27 HA SER 27 -0.658 -31.332 -31.332 189 1HB SER 27 HB2 SER 27 -1.251 -33.605 -33.605 190 2HB SER 27 HB1 SER 27 -0.610 -33.783 -33.783 191 HG SER 27 HG SER 27 0.684 -33.204 -33.204 192 H SER 28 HN SER 28 -2.184 -31.903 -31.903 193 HA SER 28 HA SER 28 -4.963 -31.402 -31.402 194 1HB SER 28 HB2 SER 28 -3.608 -32.755 -32.755 195 2HB SER 28 HB1 SER 28 -5.213 -32.025 -32.025 196 HG SER 28 HG SER 28 -4.171 -30.296 -30.296 197 H GLU 29 HN GLU 29 -3.069 -34.123 -34.123 198 HA GLU 29 HA GLU 29 -4.966 -36.228 -36.228 199 1HB GLU 29 HB2 GLU 29 -2.345 -36.127 -36.127 200 2HB GLU 29 HB1 GLU 29 -2.900 -36.446 -36.446 201 1HG GLU 29 HG2 GLU 29 -2.447 -38.564 -38.564 202 2HG GLU 29 HG1 GLU 29 -4.179 -38.409 -38.409 203 H CYS 30 HN CYS 30 -4.473 -34.045 -34.045 204 HA CYS 30 HA CYS 30 -5.987 -35.557 -35.557 205 1HB CYS 30 HB2 CYS 30 -4.585 -33.012 -33.012 206 2HB CYS 30 HB1 CYS 30 -6.055 -32.844 -32.844 207 H SER 31 HN SER 31 -8.182 -35.313 -35.313 208 HA SER 31 HA SER 31 -10.053 -34.637 -34.637 209 1HB SER 31 HB2 SER 31 -10.109 -35.195 -35.195 210 2HB SER 31 HB1 SER 31 -11.588 -34.659 -34.659 211 HG SER 31 HG SER 31 -10.018 -36.762 -36.762 212 H LYS 32 HN LYS 32 -8.252 -32.588 -32.588 213 HA LYS 32 HA LYS 32 -9.930 -30.268 -30.268 214 1HB LYS 32 HB2 LYS 32 -10.070 -31.533 -31.533 215 2HB LYS 32 HB1 LYS 32 -9.131 -30.064 -30.064 216 1HG LYS 32 HG2 LYS 32 -10.935 -28.795 -28.795 217 2HG LYS 32 HG1 LYS 32 -11.893 -30.276 -30.276 218 1HD LYS 32 HD2 LYS 32 -11.522 -30.299 -30.299 219 2HD LYS 32 HD1 LYS 32 -10.975 -28.633 -28.633 220 1HE LYS 32 HE2 LYS 32 -13.504 -29.176 -29.176 221 2HE LYS 32 HE1 LYS 32 -13.610 -29.380 -29.380 222 1HZ LYS 32 HZ2 LYS 32 -12.171 -27.223 -27.223 223 2HZ LYS 32 HZ1 LYS 32 -12.843 -27.003 -27.003 224 3HZ LYS 32 HZ3 LYS 32 -13.856 -27.112 -27.112 225 HA PRO 33 HA PRO 33 -5.606 -29.117 -29.117 226 1HB PRO 33 HB2 PRO 33 -6.117 -26.934 -26.934 227 2HB PRO 33 HB1 PRO 33 -6.078 -28.593 -28.593 228 1HG PRO 33 HG2 PRO 33 -8.412 -26.882 -26.882 229 2HG PRO 33 HG1 PRO 33 -8.211 -28.012 -28.012 230 1HD PRO 33 HD2 PRO 33 -9.622 -28.588 -28.588 231 2HD PRO 33 HD1 PRO 33 -8.831 -29.820 -29.820 232 H GLY 34 HN GLY 34 -4.813 -26.496 -26.496 233 1HA GLY 34 HA2 GLY 34 -5.893 -24.463 -24.463 234 2HA GLY 34 HA1 GLY 34 -5.534 -25.602 -25.602 235 H VAL 35 HN VAL 35 -4.285 -22.997 -22.997 236 HA VAL 35 HA VAL 35 -1.502 -23.740 -23.740 237 HB VAL 35 HB VAL 35 -3.062 -21.170 -21.170 238 1HG1 VAL 35 HG11 VAL 35 -0.139 -21.624 -21.624 239 2HG1 VAL 35 HG13 VAL 35 -0.632 -20.328 -20.328 240 3HG1 VAL 35 HG12 VAL 35 -1.116 -20.285 -20.285 241 1HG2 VAL 35 HG23 VAL 35 -2.598 -22.850 -22.850 242 2HG2 VAL 35 HG22 VAL 35 -3.072 -21.156 -21.156 243 3HG2 VAL 35 HG21 VAL 35 -1.368 -21.603 -21.603 244 H ILE 36 HN ILE 36 -0.226 -24.353 -24.353 245 HA ILE 36 HA ILE 36 -0.942 -23.330 -23.330 246 HB ILE 36 HB ILE 36 0.650 -25.631 -25.631 247 1HG1 ILE 36 HG12 ILE 36 -1.753 -25.245 -25.245 248 2HG1 ILE 36 HG11 ILE 36 -1.613 -26.197 -26.197 249 1HG2 ILE 36 HG23 ILE 36 2.010 -24.559 -24.559 250 2HG2 ILE 36 HG22 ILE 36 0.644 -24.754 -24.754 251 3HG2 ILE 36 HG21 ILE 36 1.451 -26.174 -26.174 252 1HD1 ILE 36 HD11 ILE 36 -0.003 -27.708 -27.708 253 2HD1 ILE 36 HD13 ILE 36 -0.432 -26.837 -26.837 254 3HD1 ILE 36 HD12 ILE 36 -1.662 -27.751 -27.751 255 H PHE 37 HN PHE 37 0.346 -21.821 -21.821 256 HA PHE 37 HA PHE 37 2.793 -20.944 -20.944 257 1HB PHE 37 HB2 PHE 37 1.065 -19.794 -19.794 258 2HB PHE 37 HB1 PHE 37 2.548 -19.017 -19.017 259 HD1 PHE 37 HD1 PHE 37 -0.875 -20.030 -20.030 260 HD2 PHE 37 HD2 PHE 37 2.672 -17.913 -17.913 261 HE1 PHE 37 HE1 PHE 37 -2.117 -19.002 -19.002 262 HE2 PHE 37 HE2 PHE 37 1.429 -16.885 -16.885 263 HZ PHE 37 HZ PHE 37 -0.964 -17.428 -17.428 264 H LEU 38 HN LEU 38 4.832 -21.247 -21.247 265 HA LEU 38 HA LEU 38 5.009 -22.739 -22.739 266 1HB LEU 38 HB2 LEU 38 6.350 -22.712 -22.712 267 2HB LEU 38 HB1 LEU 38 7.528 -22.386 -22.386 268 HG LEU 38 HG LEU 38 7.278 -24.820 -24.820 269 1HD1 LEU 38 HD12 LEU 38 7.022 -23.463 -23.463 270 2HD1 LEU 38 HD11 LEU 38 6.140 -24.989 -24.989 271 3HD1 LEU 38 HD13 LEU 38 7.853 -24.977 -24.977 272 1HD2 LEU 38 HD23 LEU 38 4.565 -24.174 -24.174 273 2HD2 LEU 38 HD22 LEU 38 5.254 -25.798 -25.798 274 3HD2 LEU 38 HD21 LEU 38 4.690 -25.088 -25.088 275 H THR 39 HN THR 39 5.419 -21.497 -21.497 276 HA THR 39 HA THR 39 6.429 -18.741 -18.741 277 HB THR 39 HB THR 39 5.633 -18.474 -18.474 278 HG1 THR 39 HG1 THR 39 6.342 -19.983 -19.983 279 1HG2 THR 39 HG23 THR 39 4.015 -19.656 -19.656 280 2HG2 THR 39 HG22 THR 39 3.709 -20.614 -20.614 281 3HG2 THR 39 HG21 THR 39 3.457 -18.869 -18.869 282 H LYS 40 HN LYS 40 8.374 -17.997 -17.997 283 HA LYS 40 HA LYS 40 10.591 -19.825 -19.825 284 1HB LYS 40 HB2 LYS 40 10.809 -17.474 -17.474 285 2HB LYS 40 HB1 LYS 40 10.197 -16.980 -16.980 286 1HG LYS 40 HG2 LYS 40 12.141 -17.931 -17.931 287 2HG LYS 40 HG1 LYS 40 12.722 -18.609 -18.609 288 1HD LYS 40 HD2 LYS 40 13.058 -16.386 -16.386 289 2HD LYS 40 HD1 LYS 40 12.324 -15.645 -15.645 290 1HE LYS 40 HE2 LYS 40 14.438 -15.530 -15.530 291 2HE LYS 40 HE1 LYS 40 14.339 -17.289 -17.289 292 1HZ LYS 40 HZ3 LYS 40 14.874 -17.290 -17.290 293 2HZ LYS 40 HZ2 LYS 40 15.479 -15.729 -15.729 294 3HZ LYS 40 HZ1 LYS 40 16.139 -17.065 -17.065 295 H LYS 41 HN LYS 41 8.397 -18.615 -18.615 296 HA LYS 41 HA LYS 41 10.023 -19.290 -19.290 297 1HB LYS 41 HB2 LYS 41 7.829 -17.823 -17.823 298 2HB LYS 41 HB1 LYS 41 7.033 -19.328 -19.328 299 1HG LYS 41 HG2 LYS 41 8.786 -19.309 -19.309 300 2HG LYS 41 HG1 LYS 41 8.874 -17.584 -17.584 301 1HD LYS 41 HD2 LYS 41 6.129 -18.667 -18.667 302 2HD LYS 41 HD1 LYS 41 7.017 -18.719 -18.719 303 1HE LYS 41 HE2 LYS 41 6.528 -16.519 -16.519 304 2HE LYS 41 HE1 LYS 41 7.580 -16.185 -16.185 305 1HZ LYS 41 HZ1 LYS 41 5.662 -16.811 -16.811 306 2HZ LYS 41 HZ3 LYS 41 4.685 -16.865 -16.865 307 3HZ LYS 41 HZ2 LYS 41 5.399 -15.399 -15.399 308 H GLY 42 HN GLY 42 8.533 -21.242 -21.242 309 1HA GLY 42 HA2 GLY 42 8.707 -23.646 -23.646 310 2HA GLY 42 HA1 GLY 42 8.818 -23.599 -23.599 311 H ARG 43 HN ARG 43 6.444 -22.561 -22.561 312 HA ARG 43 HA ARG 43 4.370 -24.171 -24.171 313 1HB ARG 43 HB2 ARG 43 4.795 -21.491 -21.491 314 2HB ARG 43 HB1 ARG 43 3.491 -21.437 -21.437 315 1HG ARG 43 HG2 ARG 43 2.193 -23.045 -23.045 316 2HG ARG 43 HG1 ARG 43 3.506 -23.149 -23.149 317 1HD ARG 43 HD2 ARG 43 2.973 -21.130 -21.130 318 2HD ARG 43 HD1 ARG 43 2.539 -20.400 -20.400 319 HE ARG 43 HE ARG 43 0.367 -21.526 -21.526 320 1HH1 ARG 43 HH11 ARG 43 2.414 -22.710 -22.710 321 2HH1 ARG 43 HH12 ARG 43 1.175 -22.832 -22.832 322 1HH2 ARG 43 HH21 ARG 43 -1.246 -21.308 -21.308 323 2HH2 ARG 43 HH22 ARG 43 -0.900 -22.039 -22.039 324 H GLN 44 HN GLN 44 2.185 -23.749 -23.749 325 HA GLN 44 HA GLN 44 2.706 -23.239 -23.239 326 1HB GLN 44 HB2 GLN 44 1.305 -25.769 -25.769 327 2HB GLN 44 HB1 GLN 44 2.115 -25.408 -25.408 328 1HG GLN 44 HG2 GLN 44 4.297 -25.344 -25.344 329 2HG GLN 44 HG1 GLN 44 3.429 -25.909 -25.909 330 1HE2 GLN 44 HE21 GLN 44 2.175 -28.048 -28.048 331 2HE2 GLN 44 HE22 GLN 44 2.873 -29.204 -29.204 332 H VAL 45 HN VAL 45 0.922 -22.306 -22.306 333 HA VAL 45 HA VAL 45 -1.600 -22.208 -22.208 334 HB VAL 45 HB VAL 45 -0.304 -20.275 -20.275 335 1HG1 VAL 45 HG12 VAL 45 -3.012 -20.263 -20.263 336 2HG1 VAL 45 HG11 VAL 45 -2.239 -18.777 -18.777 337 3HG1 VAL 45 HG13 VAL 45 -2.643 -20.046 -20.046 338 1HG2 VAL 45 HG23 VAL 45 -0.246 -20.651 -20.651 339 2HG2 VAL 45 HG22 VAL 45 0.709 -19.556 -19.556 340 3HG2 VAL 45 HG21 VAL 45 -0.880 -19.059 -19.059 341 H CYS 46 HN CYS 46 -3.598 -21.908 -21.908 342 HA CYS 46 HA CYS 46 -3.291 -23.344 -23.344 343 1HB CYS 46 HB2 CYS 46 -5.155 -23.798 -23.798 344 2HB CYS 46 HB1 CYS 46 -5.575 -24.359 -24.359 345 H ALA 47 HN ALA 47 -3.896 -21.818 -21.818 346 HA ALA 47 HA ALA 47 -6.284 -20.117 -20.117 347 1HB ALA 47 HB1 ALA 47 -3.877 -19.132 -19.132 348 2HB ALA 47 HB3 ALA 47 -4.069 -19.354 -19.354 349 3HB ALA 47 HB2 ALA 47 -5.176 -18.303 -18.303 350 H LYS 48 HN LYS 48 -7.622 -19.550 -19.550 351 HA LYS 48 HA LYS 48 -8.270 -21.684 -21.684 352 1HB LYS 48 HB2 LYS 48 -9.028 -18.938 -18.938 353 2HB LYS 48 HB1 LYS 48 -9.136 -19.268 -19.268 354 1HG LYS 48 HG2 LYS 48 -10.622 -21.112 -21.112 355 2HG LYS 48 HG1 LYS 48 -10.306 -21.120 -21.120 356 1HD LYS 48 HD2 LYS 48 -12.413 -20.038 -20.038 357 2HD LYS 48 HD1 LYS 48 -11.255 -18.733 -18.733 358 1HE LYS 48 HE2 LYS 48 -11.084 -18.639 -18.639 359 2HE LYS 48 HE1 LYS 48 -12.592 -19.575 -19.575 360 1HZ LYS 48 HZ3 LYS 48 -12.423 -17.330 -17.330 361 2HZ LYS 48 HZ2 LYS 48 -12.538 -16.924 -16.924 362 3HZ LYS 48 HZ1 LYS 48 -13.741 -17.877 -17.877 363 HA PRO 49 HA PRO 49 -5.706 -21.172 -21.172 364 1HB PRO 49 HB2 PRO 49 -7.407 -20.854 -20.854 365 2HB PRO 49 HB1 PRO 49 -7.182 -22.400 -22.400 366 1HG PRO 49 HG2 PRO 49 -9.362 -20.383 -20.383 367 2HG PRO 49 HG1 PRO 49 -9.461 -22.150 -22.150 368 1HD PRO 49 HD2 PRO 49 -9.567 -20.674 -20.674 369 2HD PRO 49 HD1 PRO 49 -8.920 -22.326 -22.326 370 H SER 50 HN SER 50 -8.315 -18.736 -18.736 371 HA SER 50 HA SER 50 -6.278 -16.681 -16.681 372 1HB SER 50 HB2 SER 50 -9.076 -17.119 -17.119 373 2HB SER 50 HB1 SER 50 -8.113 -15.679 -15.679 374 HG SER 50 HG SER 50 -8.015 -18.057 -18.057 375 H GLY 51 HN GLY 51 -7.265 -17.319 -17.319 376 1HA GLY 51 HA2 GLY 51 -9.423 -15.661 -15.661 377 2HA GLY 51 HA1 GLY 51 -8.116 -16.212 -16.212 378 HA PRO 52 HA PRO 52 -7.791 -11.615 -11.615 379 1HB PRO 52 HB2 PRO 52 -8.920 -10.470 -10.470 380 2HB PRO 52 HB1 PRO 52 -9.838 -10.845 -10.845 381 1HG PRO 52 HG2 PRO 52 -9.646 -12.371 -12.371 382 2HG PRO 52 HG1 PRO 52 -11.060 -12.055 -12.055 383 1HD PRO 52 HD2 PRO 52 -9.727 -14.420 -14.420 384 2HD PRO 52 HD1 PRO 52 -10.556 -13.768 -13.768 385 H GLY 53 HN GLY 53 -5.562 -11.850 -11.850 386 1HA GLY 53 HA2 GLY 53 -3.911 -10.784 -10.784 387 2HA GLY 53 HA1 GLY 53 -4.704 -11.722 -11.722 388 H VAL 54 HN VAL 54 -5.037 -14.063 -14.063 389 HA VAL 54 HA VAL 54 -2.633 -15.477 -15.477 390 HB VAL 54 HB VAL 54 -4.761 -16.011 -16.011 391 1HG1 VAL 54 HG12 VAL 54 -2.784 -17.818 -17.818 392 2HG1 VAL 54 HG11 VAL 54 -4.133 -18.402 -18.402 393 3HG1 VAL 54 HG13 VAL 54 -2.844 -17.462 -17.462 394 1HG2 VAL 54 HG23 VAL 54 -4.632 -16.460 -16.460 395 2HG2 VAL 54 HG22 VAL 54 -5.949 -15.786 -15.786 396 3HG2 VAL 54 HG21 VAL 54 -5.609 -17.514 -17.514 397 H GLN 55 HN GLN 55 -3.797 -14.104 -14.104 398 HA GLN 55 HA GLN 55 -1.450 -14.839 -14.839 399 1HB GLN 55 HB2 GLN 55 -3.533 -14.296 -14.296 400 2HB GLN 55 HB1 GLN 55 -3.604 -12.723 -12.723 401 1HG GLN 55 HG2 GLN 55 -2.821 -12.548 -12.548 402 2HG GLN 55 HG1 GLN 55 -1.602 -11.992 -11.992 403 1HE2 GLN 55 HE21 GLN 55 -2.252 -15.442 -15.442 404 2HE2 GLN 55 HE22 GLN 55 -0.800 -15.827 -15.827 405 H ASP 56 HN ASP 56 -2.215 -12.250 -12.250 406 HA ASP 56 HA ASP 56 -0.129 -10.417 -10.417 407 1HB ASP 56 HB2 ASP 56 -2.096 -10.807 -10.807 408 2HB ASP 56 HB1 ASP 56 -0.624 -9.983 -9.983 409 H CYS 57 HN CYS 57 -0.363 -13.095 -13.095 410 HA CYS 57 HA CYS 57 2.241 -12.746 -12.746 411 1HB CYS 57 HB2 CYS 57 0.404 -15.129 -15.129 412 2HB CYS 57 HB1 CYS 57 1.874 -15.195 -15.195 413 H MET 58 HN MET 58 1.070 -14.831 -14.831 414 HA MET 58 HA MET 58 3.700 -15.857 -15.857 415 1HB MET 58 HB2 MET 58 1.284 -15.657 -15.657 416 2HB MET 58 HB1 MET 58 2.540 -16.895 -16.895 417 1HG MET 58 HG2 MET 58 1.746 -17.329 -17.329 418 2HG MET 58 HG1 MET 58 0.287 -16.476 -16.476 419 1HE MET 58 HE1 MET 58 -0.347 -16.735 -16.735 420 2HE MET 58 HE3 MET 58 0.583 -17.852 -17.852 421 3HE MET 58 HE2 MET 58 -1.052 -18.270 -18.270 422 H LYS 59 HN LYS 59 2.010 -12.913 -12.913 423 HA LYS 59 HA LYS 59 3.295 -12.284 -12.284 424 1HB LYS 59 HB2 LYS 59 1.258 -11.192 -11.192 425 2HB LYS 59 HB1 LYS 59 2.252 -10.484 -10.484 426 1HG LYS 59 HG2 LYS 59 3.535 -9.222 -9.222 427 2HG LYS 59 HG1 LYS 59 2.728 -10.042 -10.042 428 1HD LYS 59 HD2 LYS 59 0.544 -9.102 -9.102 429 2HD LYS 59 HD1 LYS 59 1.486 -8.133 -8.133 430 1HE LYS 59 HE2 LYS 59 2.729 -7.711 -7.711 431 2HE LYS 59 HE1 LYS 59 0.989 -7.659 -7.659 432 1HZ LYS 59 HZ3 LYS 59 2.318 -6.241 -6.241 433 2HZ LYS 59 HZ2 LYS 59 1.872 -5.503 -5.503 434 3HZ LYS 59 HZ1 LYS 59 0.681 -6.135 -6.135 435 H LYS 60 HN LYS 60 3.990 -11.265 -11.265 436 HA LYS 60 HA LYS 60 6.502 -9.992 -9.992 437 1HB LYS 60 HB2 LYS 60 5.347 -9.343 -9.343 438 2HB LYS 60 HB1 LYS 60 5.149 -11.016 -11.016 439 1HG LYS 60 HG2 LYS 60 6.951 -9.766 -9.766 440 2HG LYS 60 HG1 LYS 60 7.524 -11.224 -11.224 441 1HD LYS 60 HD2 LYS 60 8.207 -9.787 -9.787 442 2HD LYS 60 HD1 LYS 60 7.794 -8.369 -8.369 443 1HE LYS 60 HE2 LYS 60 9.683 -10.454 -10.454 444 2HE LYS 60 HE1 LYS 60 10.275 -9.170 -9.170 445 1HZ LYS 60 HZ3 LYS 60 9.187 -7.541 -7.541 446 2HZ LYS 60 HZ2 LYS 60 8.668 -8.781 -8.781 447 3HZ LYS 60 HZ1 LYS 60 10.326 -8.445 -8.445 448 H LEU 61 HN LEU 61 5.528 -13.285 -13.285 449 HA LEU 61 HA LEU 61 8.222 -14.233 -14.233 450 1HB LEU 61 HB2 LEU 61 5.461 -15.174 -15.174 451 2HB LEU 61 HB1 LEU 61 6.582 -16.390 -16.390 452 HG LEU 61 HG LEU 61 7.816 -16.429 -16.429 453 1HD1 LEU 61 HD11 LEU 61 6.667 -13.711 -13.711 454 2HD1 LEU 61 HD13 LEU 61 6.878 -14.631 -14.631 455 3HD1 LEU 61 HD12 LEU 61 8.263 -14.318 -14.318 456 1HD2 LEU 61 HD22 LEU 61 4.845 -16.202 -16.202 457 2HD2 LEU 61 HD21 LEU 61 5.867 -17.637 -17.637 458 3HD2 LEU 61 HD23 LEU 61 5.902 -16.471 -16.471 459 H LYS 62 HN LYS 62 6.748 -13.319 -13.319 460 HA LYS 62 HA LYS 62 7.614 -15.401 -15.401 461 1HB LYS 62 HB2 LYS 62 6.046 -13.160 -13.160 462 2HB LYS 62 HB1 LYS 62 7.476 -12.617 -12.617 463 1HG LYS 62 HG2 LYS 62 7.329 -14.707 -14.707 464 2HG LYS 62 HG1 LYS 62 5.803 -15.077 -15.077 465 1HD LYS 62 HD2 LYS 62 4.728 -13.734 -13.734 466 2HD LYS 62 HD1 LYS 62 5.682 -12.366 -12.366 467 1HE LYS 62 HE2 LYS 62 7.523 -13.102 -13.102 468 2HE LYS 62 HE1 LYS 62 6.373 -14.270 -14.270 469 1HZ LYS 62 HZ3 LYS 62 4.794 -12.335 -12.335 470 2HZ LYS 62 HZ2 LYS 62 6.114 -11.315 -11.315 471 3HZ LYS 62 HZ1 LYS 62 6.117 -12.298 -12.298 472 HA PRO 63 HA PRO 63 11.943 -14.364 -14.364 473 1HB PRO 63 HB2 PRO 63 12.756 -16.180 -16.180 474 2HB PRO 63 HB1 PRO 63 12.360 -16.628 -16.628 475 1HG PRO 63 HG2 PRO 63 10.727 -16.892 -16.892 476 2HG PRO 63 HG1 PRO 63 10.877 -17.996 -17.996 477 1HD PRO 63 HD2 PRO 63 8.761 -16.305 -16.305 478 2HD PRO 63 HD1 PRO 63 9.290 -16.886 -16.886 479 H TYR 64 HN TYR 64 13.633 -14.277 -14.277 480 HA TYR 64 HA TYR 64 14.223 -13.003 -13.003 481 1HB TYR 64 HB2 TYR 64 11.274 -13.315 -13.315 482 2HB TYR 64 HB1 TYR 64 12.590 -13.075 -13.075 483 HD1 TYR 64 HD1 TYR 64 14.646 -14.866 -14.866 484 HD2 TYR 64 HD2 TYR 64 10.442 -15.484 -15.484 485 HE1 TYR 64 HE1 TYR 64 14.990 -17.319 -17.319 486 HE2 TYR 64 HE2 TYR 64 10.786 -17.938 -17.938 487 HH TYR 64 HH TYR 64 13.582 -19.346 -19.346 488 H SER 65 HN SER 65 14.516 -11.124 -11.124 489 HA SER 65 HA SER 65 12.285 -9.224 -9.224 490 1HB SER 65 HB2 SER 65 15.225 -9.204 -9.204 491 2HB SER 65 HB1 SER 65 14.088 -7.933 -7.933 492 HG SER 65 HG SER 65 12.806 -9.765 -9.765 493 H ILE 66 HN ILE 66 11.792 -7.903 -7.903 494 HA ILE 66 HA ILE 66 12.083 -6.606 -6.606 495 HB ILE 66 HB ILE 66 14.497 -5.993 -5.993 496 1HG1 ILE 66 HG12 ILE 66 12.290 -5.515 -5.515 497 2HG1 ILE 66 HG11 ILE 66 13.151 -4.020 -4.020 498 1HG2 ILE 66 HG23 ILE 66 14.078 -5.270 -5.270 499 2HG2 ILE 66 HG22 ILE 66 13.698 -3.838 -3.838 500 3HG2 ILE 66 HG21 ILE 66 15.277 -4.608 -4.608 501 1HD1 ILE 66 HD12 ILE 66 11.755 -4.636 -4.636 502 2HD1 ILE 66 HD11 ILE 66 10.618 -4.982 -4.982 503 3HD1 ILE 66 HD13 ILE 66 11.342 -3.379 -3.379 Start of MODEL 29 1 1H HIS 1 HT1 HIS 1 3.536 -37.457 -37.457 2 2H HIS 1 HT3 HIS 1 3.019 -36.286 -36.286 3 3H HIS 1 HT2 HIS 1 2.215 -36.458 -36.458 4 HA HIS 1 HA HIS 1 3.539 -34.594 -34.594 5 1HB HIS 1 HB2 HIS 1 4.655 -34.981 -34.981 6 2HB HIS 1 HB1 HIS 1 5.723 -36.142 -36.142 7 HD1 HIS 1 HD1 HIS 1 7.741 -34.507 -34.507 8 HD2 HIS 1 HD2 HIS 1 4.941 -32.955 -32.955 9 HE1 HIS 1 HE1 HIS 1 8.822 -32.486 -32.486 10 H PHE 2 HN PHE 2 2.998 -35.918 -35.918 11 HA PHE 2 HA PHE 2 5.364 -36.214 -36.214 12 1HB PHE 2 HB2 PHE 2 4.587 -38.422 -38.422 13 2HB PHE 2 HB1 PHE 2 4.363 -38.882 -38.882 14 HD1 PHE 2 HD1 PHE 2 6.424 -37.531 -37.531 15 HD2 PHE 2 HD2 PHE 2 6.622 -39.259 -39.259 16 HE1 PHE 2 HE1 PHE 2 8.875 -37.812 -37.812 17 HE2 PHE 2 HE2 PHE 2 9.074 -39.541 -39.541 18 HZ PHE 2 HZ PHE 2 10.201 -38.817 -38.817 19 H ALA 3 HN ALA 3 4.651 -37.595 -37.595 20 HA ALA 3 HA ALA 3 3.189 -37.665 -37.665 21 1HB ALA 3 HB3 ALA 3 2.007 -38.966 -38.966 22 2HB ALA 3 HB2 ALA 3 0.992 -37.533 -37.533 23 3HB ALA 3 HB1 ALA 3 1.011 -38.432 -38.432 24 H ALA 4 HN ALA 4 0.546 -36.459 -36.459 25 HA ALA 4 HA ALA 4 1.339 -33.671 -33.671 26 1HB ALA 4 HB2 ALA 4 -0.077 -34.980 -34.980 27 2HB ALA 4 HB1 ALA 4 -1.293 -35.159 -35.159 28 3HB ALA 4 HB3 ALA 4 -0.945 -33.565 -33.565 29 H ASP 5 HN ASP 5 0.687 -31.901 -31.901 30 HA ASP 5 HA ASP 5 -0.650 -32.536 -32.536 31 1HB ASP 5 HB2 ASP 5 1.468 -30.781 -30.781 32 2HB ASP 5 HB1 ASP 5 0.274 -29.889 -29.889 33 H CYS 6 HN CYS 6 -2.821 -32.592 -32.592 34 HA CYS 6 HA CYS 6 -3.810 -30.038 -30.038 35 1HB CYS 6 HB2 CYS 6 -5.218 -32.673 -32.673 36 2HB CYS 6 HB1 CYS 6 -5.769 -31.376 -31.376 37 H CYS 7 HN CYS 7 -5.008 -28.602 -28.602 38 HA CYS 7 HA CYS 7 -5.558 -29.250 -29.250 39 1HB CYS 7 HB2 CYS 7 -4.789 -26.965 -26.965 40 2HB CYS 7 HB1 CYS 7 -6.289 -26.592 -26.592 41 H THR 8 HN THR 8 -7.690 -28.965 -28.965 42 HA THR 8 HA THR 8 -9.875 -29.357 -29.357 43 HB THR 8 HB THR 8 -11.099 -30.077 -30.077 44 HG1 THR 8 HG1 THR 8 -9.806 -28.733 -28.733 45 1HG2 THR 8 HG23 THR 8 -9.079 -31.386 -31.386 46 2HG2 THR 8 HG22 THR 8 -8.681 -31.674 -31.674 47 3HG2 THR 8 HG21 THR 8 -10.262 -32.141 -32.141 48 H SER 9 HN SER 9 -8.588 -27.027 -27.027 49 HA SER 9 HA SER 9 -10.840 -25.178 -25.178 50 1HB SER 9 HB2 SER 9 -10.286 -24.616 -24.616 51 2HB SER 9 HB1 SER 9 -11.614 -25.645 -25.645 52 HG SER 9 HG SER 9 -9.243 -26.306 -26.306 53 H TYR 10 HN TYR 10 -10.084 -23.095 -23.095 54 HA TYR 10 HA TYR 10 -7.158 -22.678 -22.678 55 1HB TYR 10 HB2 TYR 10 -9.459 -20.995 -20.995 56 2HB TYR 10 HB1 TYR 10 -7.748 -20.686 -20.686 57 HD1 TYR 10 HD1 TYR 10 -6.812 -23.542 -23.542 58 HD2 TYR 10 HD2 TYR 10 -10.232 -21.484 -21.484 59 HE1 TYR 10 HE1 TYR 10 -6.868 -25.116 -25.116 60 HE2 TYR 10 HE2 TYR 10 -10.289 -23.058 -23.058 61 HH TYR 10 HH TYR 10 -7.807 -25.584 -25.584 62 H ILE 11 HN ILE 11 -6.528 -20.320 -20.320 63 HA ILE 11 HA ILE 11 -6.862 -19.969 -19.969 64 HB ILE 11 HB ILE 11 -5.807 -17.852 -17.852 65 1HG1 ILE 11 HG12 ILE 11 -7.554 -17.011 -17.011 66 2HG1 ILE 11 HG11 ILE 11 -5.909 -16.643 -16.643 67 1HG2 ILE 11 HG23 ILE 11 -4.649 -20.010 -20.010 68 2HG2 ILE 11 HG22 ILE 11 -4.969 -19.319 -19.319 69 3HG2 ILE 11 HG21 ILE 11 -3.973 -18.437 -18.437 70 1HD1 ILE 11 HD11 ILE 11 -6.013 -18.799 -18.799 71 2HD1 ILE 11 HD13 ILE 11 -7.746 -18.805 -18.805 72 3HD1 ILE 11 HD12 ILE 11 -7.023 -17.469 -17.469 73 H SER 12 HN SER 12 -7.891 -17.808 -17.808 74 HA SER 12 HA SER 12 -10.740 -17.785 -17.785 75 1HB SER 12 HB2 SER 12 -10.488 -16.377 -16.377 76 2HB SER 12 HB1 SER 12 -10.906 -18.083 -18.083 77 HG SER 12 HG SER 12 -8.570 -16.890 -16.890 78 H GLN 13 HN GLN 13 -7.958 -16.005 -16.005 79 HA GLN 13 HA GLN 13 -9.533 -13.608 -13.608 80 1HB GLN 13 HB2 GLN 13 -7.977 -12.163 -12.163 81 2HB GLN 13 HB1 GLN 13 -8.848 -13.277 -13.277 82 1HG GLN 13 HG2 GLN 13 -6.872 -14.838 -14.838 83 2HG GLN 13 HG1 GLN 13 -6.006 -13.565 -13.565 84 1HE2 GLN 13 HE21 GLN 13 -4.539 -13.770 -13.770 85 2HE2 GLN 13 HE22 GLN 13 -4.963 -12.835 -12.835 86 H SER 14 HN SER 14 -7.520 -11.934 -11.934 87 HA SER 14 HA SER 14 -6.542 -13.016 -13.016 88 1HB SER 14 HB2 SER 14 -6.842 -10.572 -10.572 89 2HB SER 14 HB1 SER 14 -5.131 -10.778 -10.778 90 HG SER 14 HG SER 14 -6.239 -11.263 -11.263 91 H ILE 15 HN ILE 15 -4.528 -13.883 -13.883 92 HA ILE 15 HA ILE 15 -3.003 -15.250 -15.250 93 HB ILE 15 HB ILE 15 -2.619 -14.715 -14.715 94 1HG1 ILE 15 HG12 ILE 15 -4.590 -16.124 -16.124 95 2HG1 ILE 15 HG11 ILE 15 -3.606 -16.825 -16.825 96 1HG2 ILE 15 HG23 ILE 15 -0.477 -15.186 -15.186 97 2HG2 ILE 15 HG22 ILE 15 -1.156 -16.757 -16.757 98 3HG2 ILE 15 HG21 ILE 15 -0.864 -16.351 -16.351 99 1HD1 ILE 15 HD11 ILE 15 -3.030 -17.323 -17.323 100 2HD1 ILE 15 HD13 ILE 15 -4.118 -18.349 -18.349 101 3HD1 ILE 15 HD12 ILE 15 -2.421 -18.215 -18.215 102 HA PRO 16 HA PRO 16 -0.235 -11.873 -11.873 103 1HB PRO 16 HB2 PRO 16 1.598 -13.275 -13.275 104 2HB PRO 16 HB1 PRO 16 0.015 -12.798 -12.798 105 1HG PRO 16 HG2 PRO 16 0.942 -15.434 -15.434 106 2HG PRO 16 HG1 PRO 16 -0.174 -15.060 -15.060 107 1HD PRO 16 HD2 PRO 16 -0.932 -15.895 -15.895 108 2HD PRO 16 HD1 PRO 16 -1.976 -15.004 -15.004 109 H CYS 17 HN CYS 17 0.375 -11.853 -11.853 110 HA CYS 17 HA CYS 17 2.407 -13.461 -13.461 111 1HB CYS 17 HB2 CYS 17 1.867 -10.506 -10.506 112 2HB CYS 17 HB1 CYS 17 2.583 -11.599 -11.599 113 H SER 18 HN SER 18 2.580 -10.660 -10.660 114 HA SER 18 HA SER 18 5.378 -10.073 -10.073 115 1HB SER 18 HB2 SER 18 3.534 -8.608 -8.608 116 2HB SER 18 HB1 SER 18 3.589 -9.554 -9.554 117 HG SER 18 HG SER 18 5.099 -7.516 -7.516 118 H LEU 19 HN LEU 19 4.282 -12.947 -12.947 119 HA LEU 19 HA LEU 19 6.615 -13.218 -13.218 120 1HB LEU 19 HB2 LEU 19 3.736 -13.434 -13.434 121 2HB LEU 19 HB1 LEU 19 4.664 -14.827 -14.827 122 HG LEU 19 HG LEU 19 6.291 -12.806 -12.806 123 1HD1 LEU 19 HD12 LEU 19 4.131 -11.383 -11.383 124 2HD1 LEU 19 HD11 LEU 19 3.685 -11.675 -11.675 125 3HD1 LEU 19 HD13 LEU 19 5.199 -10.854 -10.854 126 1HD2 LEU 19 HD22 LEU 19 4.374 -14.617 -14.617 127 2HD2 LEU 19 HD21 LEU 19 5.896 -14.027 -14.027 128 3HD2 LEU 19 HD23 LEU 19 4.412 -13.102 -13.102 129 H MET 20 HN MET 20 5.169 -14.273 -14.273 130 HA MET 20 HA MET 20 5.795 -17.156 -17.156 131 1HB MET 20 HB2 MET 20 4.598 -15.828 -15.828 132 2HB MET 20 HB1 MET 20 4.472 -17.519 -17.519 133 1HG MET 20 HG2 MET 20 3.413 -15.336 -15.336 134 2HG MET 20 HG1 MET 20 2.443 -15.953 -15.953 135 1HE MET 20 HE3 MET 20 0.850 -16.192 -16.192 136 2HE MET 20 HE2 MET 20 0.407 -17.895 -17.895 137 3HE MET 20 HE1 MET 20 0.781 -17.188 -17.188 138 H LYS 21 HN LYS 21 7.565 -18.094 -18.094 139 HA LYS 21 HA LYS 21 9.448 -16.390 -16.390 140 1HB LYS 21 HB2 LYS 21 10.376 -17.555 -17.555 141 2HB LYS 21 HB1 LYS 21 9.551 -19.054 -19.054 142 1HG LYS 21 HG2 LYS 21 11.100 -19.599 -19.599 143 2HG LYS 21 HG1 LYS 21 11.377 -17.917 -17.917 144 1HD LYS 21 HD2 LYS 21 12.545 -17.646 -17.646 145 2HD LYS 21 HD1 LYS 21 12.492 -19.405 -19.405 146 1HE LYS 21 HE2 LYS 21 13.815 -19.655 -19.655 147 2HE LYS 21 HE1 LYS 21 13.733 -17.912 -17.912 148 1HZ LYS 21 HZ3 LYS 21 14.624 -17.789 -17.789 149 2HZ LYS 21 HZ2 LYS 21 15.186 -19.360 -19.360 150 3HZ LYS 21 HZ1 LYS 21 15.703 -18.056 -18.056 151 H SER 22 HN SER 22 7.607 -19.441 -19.441 152 HA SER 22 HA SER 22 7.786 -19.168 -19.168 153 1HB SER 22 HB2 SER 22 9.919 -20.262 -20.262 154 2HB SER 22 HB1 SER 22 8.898 -21.640 -21.640 155 HG SER 22 HG SER 22 8.859 -22.192 -22.192 156 H TYR 23 HN TYR 23 5.725 -19.637 -19.637 157 HA TYR 23 HA TYR 23 4.081 -21.526 -21.526 158 1HB TYR 23 HB2 TYR 23 2.248 -20.430 -20.430 159 2HB TYR 23 HB1 TYR 23 3.418 -19.158 -19.158 160 HD1 TYR 23 HD1 TYR 23 1.990 -21.318 -21.318 161 HD2 TYR 23 HD2 TYR 23 4.632 -18.045 -18.045 162 HE1 TYR 23 HE1 TYR 23 2.109 -20.770 -20.770 163 HE2 TYR 23 HE2 TYR 23 4.753 -17.499 -17.499 164 HH TYR 23 HH TYR 23 3.098 -19.516 -19.516 165 H PHE 24 HN PHE 24 2.699 -23.105 -23.105 166 HA PHE 24 HA PHE 24 3.799 -23.876 -23.876 167 1HB PHE 24 HB2 PHE 24 4.561 -25.994 -25.994 168 2HB PHE 24 HB1 PHE 24 5.085 -24.916 -24.916 169 HD1 PHE 24 HD1 PHE 24 2.271 -27.196 -27.196 170 HD2 PHE 24 HD2 PHE 24 4.419 -25.306 -25.306 171 HE1 PHE 24 HE1 PHE 24 0.990 -28.533 -28.533 172 HE2 PHE 24 HE2 PHE 24 3.136 -26.648 -26.648 173 HZ PHE 24 HZ PHE 24 1.422 -28.260 -28.260 174 H GLU 25 HN GLU 25 2.300 -25.120 -25.120 175 HA GLU 25 HA GLU 25 -0.474 -25.079 -25.079 176 1HB GLU 25 HB2 GLU 25 -1.031 -25.469 -25.469 177 2HB GLU 25 HB1 GLU 25 0.224 -24.233 -24.233 178 1HG GLU 25 HG2 GLU 25 1.749 -26.487 -26.487 179 2HG GLU 25 HG1 GLU 25 0.349 -27.003 -27.003 180 H THR 26 HN THR 26 -1.735 -27.011 -27.011 181 HA THR 26 HA THR 26 -0.233 -29.413 -29.413 182 HB THR 26 HB THR 26 -2.511 -30.283 -30.283 183 HG1 THR 26 HG1 THR 26 -3.138 -28.140 -28.140 184 1HG2 THR 26 HG22 THR 26 -1.481 -27.710 -27.710 185 2HG2 THR 26 HG21 THR 26 -3.206 -27.953 -27.953 186 3HG2 THR 26 HG23 THR 26 -2.039 -29.122 -29.122 187 H SER 27 HN SER 27 -1.593 -31.530 -31.530 188 HA SER 27 HA SER 27 -0.924 -31.453 -31.453 189 1HB SER 27 HB2 SER 27 -1.728 -33.717 -33.717 190 2HB SER 27 HB1 SER 27 -1.045 -33.896 -33.896 191 HG SER 27 HG SER 27 0.223 -33.554 -33.554 192 H SER 28 HN SER 28 -2.477 -31.801 -31.801 193 HA SER 28 HA SER 28 -5.227 -31.169 -31.169 194 1HB SER 28 HB2 SER 28 -3.713 -30.965 -30.965 195 2HB SER 28 HB1 SER 28 -4.287 -32.601 -32.601 196 HG SER 28 HG SER 28 -5.876 -30.297 -30.297 197 H GLU 29 HN GLU 29 -3.477 -34.020 -34.020 198 HA GLU 29 HA GLU 29 -5.495 -35.978 -35.978 199 1HB GLU 29 HB2 GLU 29 -2.877 -36.080 -36.080 200 2HB GLU 29 HB1 GLU 29 -3.359 -36.408 -36.408 201 1HG GLU 29 HG2 GLU 29 -4.834 -38.251 -38.251 202 2HG GLU 29 HG1 GLU 29 -4.167 -37.974 -37.974 203 H CYS 30 HN CYS 30 -5.009 -33.876 -33.876 204 HA CYS 30 HA CYS 30 -6.362 -35.471 -35.471 205 1HB CYS 30 HB2 CYS 30 -5.045 -32.932 -32.932 206 2HB CYS 30 HB1 CYS 30 -6.582 -32.683 -32.683 207 H SER 31 HN SER 31 -8.518 -34.902 -34.902 208 HA SER 31 HA SER 31 -10.587 -34.817 -34.817 209 1HB SER 31 HB2 SER 31 -10.420 -34.317 -34.317 210 2HB SER 31 HB1 SER 31 -11.963 -34.264 -34.264 211 HG SER 31 HG SER 31 -10.316 -36.409 -36.409 212 H LYS 32 HN LYS 32 -8.844 -32.284 -32.284 213 HA LYS 32 HA LYS 32 -10.211 -30.269 -30.269 214 1HB LYS 32 HB2 LYS 32 -10.939 -28.950 -28.950 215 2HB LYS 32 HB1 LYS 32 -11.483 -30.600 -30.600 216 1HG LYS 32 HG2 LYS 32 -9.352 -30.937 -30.937 217 2HG LYS 32 HG1 LYS 32 -9.079 -29.200 -29.200 218 1HD LYS 32 HD2 LYS 32 -11.583 -30.457 -30.457 219 2HD LYS 32 HD1 LYS 32 -10.244 -29.825 -29.825 220 1HE LYS 32 HE2 LYS 32 -11.680 -28.117 -28.117 221 2HE LYS 32 HE1 LYS 32 -12.210 -28.211 -28.211 222 1HZ LYS 32 HZ3 LYS 32 -9.364 -27.922 -27.922 223 2HZ LYS 32 HZ2 LYS 32 -10.209 -26.614 -26.614 224 3HZ LYS 32 HZ1 LYS 32 -10.451 -27.030 -27.030 225 HA PRO 33 HA PRO 33 -6.116 -28.694 -28.694 226 1HB PRO 33 HB2 PRO 33 -6.632 -26.119 -26.119 227 2HB PRO 33 HB1 PRO 33 -6.723 -27.501 -27.501 228 1HG PRO 33 HG2 PRO 33 -8.908 -26.042 -26.042 229 2HG PRO 33 HG1 PRO 33 -8.869 -26.695 -26.695 230 1HD PRO 33 HD2 PRO 33 -10.132 -27.923 -27.923 231 2HD PRO 33 HD1 PRO 33 -9.472 -28.796 -28.796 232 H GLY 34 HN GLY 34 -4.998 -26.473 -26.473 233 1HA GLY 34 HA2 GLY 34 -5.895 -24.826 -24.826 234 2HA GLY 34 HA1 GLY 34 -5.481 -26.309 -26.309 235 H VAL 35 HN VAL 35 -4.204 -23.468 -23.468 236 HA VAL 35 HA VAL 35 -1.456 -24.426 -24.426 237 HB VAL 35 HB VAL 35 -1.943 -22.635 -22.635 238 1HG1 VAL 35 HG11 VAL 35 -3.439 -21.379 -21.379 239 2HG1 VAL 35 HG13 VAL 35 -3.215 -20.614 -20.614 240 3HG1 VAL 35 HG12 VAL 35 -4.148 -22.106 -22.106 241 1HG2 VAL 35 HG22 VAL 35 -0.118 -22.140 -22.140 242 2HG2 VAL 35 HG21 VAL 35 -0.334 -21.139 -21.139 243 3HG2 VAL 35 HG23 VAL 35 -1.147 -20.707 -20.707 244 H ILE 36 HN ILE 36 -0.150 -24.756 -24.756 245 HA ILE 36 HA ILE 36 -0.899 -23.457 -23.457 246 HB ILE 36 HB ILE 36 0.740 -25.836 -25.836 247 1HG1 ILE 36 HG12 ILE 36 -1.642 -25.356 -25.356 248 2HG1 ILE 36 HG11 ILE 36 -1.582 -26.306 -26.306 249 1HG2 ILE 36 HG21 ILE 36 0.730 -24.503 -24.503 250 2HG2 ILE 36 HG23 ILE 36 1.341 -26.130 -26.130 251 3HG2 ILE 36 HG22 ILE 36 2.126 -24.741 -24.741 252 1HD1 ILE 36 HD11 ILE 36 0.309 -27.609 -27.609 253 2HD1 ILE 36 HD13 ILE 36 -0.656 -27.010 -27.010 254 3HD1 ILE 36 HD12 ILE 36 -1.400 -28.031 -28.031 255 H PHE 37 HN PHE 37 0.328 -21.790 -21.790 256 HA PHE 37 HA PHE 37 2.759 -21.001 -21.001 257 1HB PHE 37 HB2 PHE 37 1.010 -19.763 -19.763 258 2HB PHE 37 HB1 PHE 37 2.515 -19.009 -19.009 259 HD1 PHE 37 HD1 PHE 37 -0.876 -20.041 -20.041 260 HD2 PHE 37 HD2 PHE 37 2.719 -17.980 -17.980 261 HE1 PHE 37 HE1 PHE 37 -2.050 -19.072 -19.072 262 HE2 PHE 37 HE2 PHE 37 1.544 -17.017 -17.017 263 HZ PHE 37 HZ PHE 37 -0.837 -17.562 -17.562 264 H LEU 38 HN LEU 38 4.819 -21.275 -21.275 265 HA LEU 38 HA LEU 38 5.035 -22.576 -22.576 266 1HB LEU 38 HB2 LEU 38 6.198 -22.976 -22.976 267 2HB LEU 38 HB1 LEU 38 7.480 -22.246 -22.246 268 HG LEU 38 HG LEU 38 7.600 -24.645 -24.645 269 1HD1 LEU 38 HD11 LEU 38 7.779 -23.055 -23.055 270 2HD1 LEU 38 HD13 LEU 38 6.159 -23.606 -23.606 271 3HD1 LEU 38 HD12 LEU 38 7.492 -24.758 -24.758 272 1HD2 LEU 38 HD23 LEU 38 5.211 -25.045 -25.045 273 2HD2 LEU 38 HD22 LEU 38 5.707 -25.972 -25.972 274 3HD2 LEU 38 HD21 LEU 38 4.711 -24.529 -24.529 275 H THR 39 HN THR 39 5.399 -21.142 -21.142 276 HA THR 39 HA THR 39 6.539 -18.481 -18.481 277 HB THR 39 HB THR 39 5.751 -17.952 -17.952 278 HG1 THR 39 HG1 THR 39 5.989 -19.347 -19.347 279 1HG2 THR 39 HG23 THR 39 4.083 -19.440 -19.440 280 2HG2 THR 39 HG22 THR 39 3.587 -19.768 -19.768 281 3HG2 THR 39 HG21 THR 39 3.640 -18.108 -18.108 282 H LYS 40 HN LYS 40 8.433 -17.676 -17.676 283 HA LYS 40 HA LYS 40 10.630 -19.519 -19.519 284 1HB LYS 40 HB2 LYS 40 10.216 -16.789 -16.789 285 2HB LYS 40 HB1 LYS 40 10.896 -16.914 -16.914 286 1HG LYS 40 HG2 LYS 40 12.774 -18.256 -18.256 287 2HG LYS 40 HG1 LYS 40 12.103 -18.083 -18.083 288 1HD LYS 40 HD2 LYS 40 12.697 -15.861 -15.861 289 2HD LYS 40 HD1 LYS 40 12.533 -15.587 -15.587 290 1HE LYS 40 HE2 LYS 40 14.785 -17.161 -17.161 291 2HE LYS 40 HE1 LYS 40 14.917 -15.508 -15.508 292 1HZ LYS 40 HZ1 LYS 40 13.826 -16.604 -16.604 293 2HZ LYS 40 HZ3 LYS 40 14.494 -18.029 -18.029 294 3HZ LYS 40 HZ2 LYS 40 15.503 -16.718 -16.718 295 H LYS 41 HN LYS 41 8.310 -18.214 -18.214 296 HA LYS 41 HA LYS 41 9.781 -18.770 -18.770 297 1HB LYS 41 HB2 LYS 41 7.253 -17.720 -17.720 298 2HB LYS 41 HB1 LYS 41 6.964 -18.910 -18.910 299 1HG LYS 41 HG2 LYS 41 7.802 -17.541 -17.541 300 2HG LYS 41 HG1 LYS 41 9.242 -17.206 -17.206 301 1HD LYS 41 HD2 LYS 41 6.751 -15.959 -15.959 302 2HD LYS 41 HD1 LYS 41 7.324 -15.348 -15.348 303 1HE LYS 41 HE2 LYS 41 9.431 -15.699 -15.699 304 2HE LYS 41 HE1 LYS 41 8.246 -14.423 -14.423 305 1HZ LYS 41 HZ3 LYS 41 9.619 -14.799 -14.799 306 2HZ LYS 41 HZ2 LYS 41 10.114 -13.680 -13.680 307 3HZ LYS 41 HZ1 LYS 41 8.596 -13.517 -13.517 308 H GLY 42 HN GLY 42 8.410 -20.822 -20.822 309 1HA GLY 42 HA2 GLY 42 8.455 -23.208 -23.208 310 2HA GLY 42 HA1 GLY 42 8.683 -23.124 -23.124 311 H ARG 43 HN ARG 43 6.168 -21.934 -21.934 312 HA ARG 43 HA ARG 43 4.140 -23.546 -23.546 313 1HB ARG 43 HB2 ARG 43 4.559 -21.202 -21.202 314 2HB ARG 43 HB1 ARG 43 3.785 -20.574 -20.574 315 1HG ARG 43 HG2 ARG 43 1.817 -20.894 -20.894 316 2HG ARG 43 HG1 ARG 43 2.085 -22.621 -22.621 317 1HD ARG 43 HD2 ARG 43 3.443 -22.565 -22.565 318 2HD ARG 43 HD1 ARG 43 2.756 -20.950 -20.950 319 HE ARG 43 HE ARG 43 0.802 -23.043 -23.043 320 1HH1 ARG 43 HH11 ARG 43 2.623 -22.976 -22.976 321 2HH1 ARG 43 HH12 ARG 43 1.370 -22.528 -22.528 322 1HH2 ARG 43 HH21 ARG 43 -0.908 -21.723 -21.723 323 2HH2 ARG 43 HH22 ARG 43 -0.629 -21.819 -21.819 324 H GLN 44 HN GLN 44 2.790 -24.421 -24.421 325 HA GLN 44 HA GLN 44 2.855 -23.294 -23.294 326 1HB GLN 44 HB2 GLN 44 1.566 -25.820 -25.820 327 2HB GLN 44 HB1 GLN 44 1.956 -25.461 -25.461 328 1HG GLN 44 HG2 GLN 44 4.344 -25.434 -25.434 329 2HG GLN 44 HG1 GLN 44 3.995 -25.684 -25.684 330 1HE2 GLN 44 HE21 GLN 44 3.040 -27.810 -27.810 331 2HE2 GLN 44 HE22 GLN 44 3.259 -29.160 -29.160 332 H VAL 45 HN VAL 45 1.110 -22.281 -22.281 333 HA VAL 45 HA VAL 45 -1.412 -22.095 -22.095 334 HB VAL 45 HB VAL 45 -0.218 -20.271 -20.271 335 1HG1 VAL 45 HG13 VAL 45 -2.737 -20.238 -20.238 336 2HG1 VAL 45 HG12 VAL 45 -1.952 -18.704 -18.704 337 3HG1 VAL 45 HG11 VAL 45 -2.482 -19.761 -19.761 338 1HG2 VAL 45 HG21 VAL 45 0.073 -20.462 -20.462 339 2HG2 VAL 45 HG23 VAL 45 1.189 -19.811 -19.811 340 3HG2 VAL 45 HG22 VAL 45 -0.178 -18.843 -18.843 341 H CYS 46 HN CYS 46 -3.401 -21.795 -21.795 342 HA CYS 46 HA CYS 46 -3.064 -23.314 -23.314 343 1HB CYS 46 HB2 CYS 46 -5.025 -23.764 -23.764 344 2HB CYS 46 HB1 CYS 46 -5.196 -24.510 -24.510 345 H ALA 47 HN ALA 47 -3.792 -21.921 -21.921 346 HA ALA 47 HA ALA 47 -6.259 -20.327 -20.327 347 1HB ALA 47 HB2 ALA 47 -3.965 -19.146 -19.146 348 2HB ALA 47 HB1 ALA 47 -3.953 -19.402 -19.402 349 3HB ALA 47 HB3 ALA 47 -5.224 -18.428 -18.428 350 H LYS 48 HN LYS 48 -7.551 -19.830 -19.830 351 HA LYS 48 HA LYS 48 -7.655 -21.981 -21.981 352 1HB LYS 48 HB2 LYS 48 -9.521 -20.452 -20.452 353 2HB LYS 48 HB1 LYS 48 -9.693 -21.015 -21.015 354 1HG LYS 48 HG2 LYS 48 -8.143 -18.563 -18.563 355 2HG LYS 48 HG1 LYS 48 -9.713 -18.348 -18.348 356 1HD LYS 48 HD2 LYS 48 -10.288 -19.837 -19.837 357 2HD LYS 48 HD1 LYS 48 -9.076 -18.676 -18.676 358 1HE LYS 48 HE2 LYS 48 -10.920 -17.298 -17.298 359 2HE LYS 48 HE1 LYS 48 -11.845 -18.192 -18.192 360 1HZ LYS 48 HZ2 LYS 48 -9.437 -16.552 -16.552 361 2HZ LYS 48 HZ1 LYS 48 -11.029 -15.980 -15.980 362 3HZ LYS 48 HZ3 LYS 48 -10.492 -17.275 -17.275 363 HA PRO 49 HA PRO 49 -5.355 -20.191 -20.191 364 1HB PRO 49 HB2 PRO 49 -6.898 -20.746 -20.746 365 2HB PRO 49 HB1 PRO 49 -5.973 -21.983 -21.983 366 1HG PRO 49 HG2 PRO 49 -8.877 -21.324 -21.324 367 2HG PRO 49 HG1 PRO 49 -8.077 -22.902 -22.902 368 1HD PRO 49 HD2 PRO 49 -9.021 -21.651 -21.651 369 2HD PRO 49 HD1 PRO 49 -7.660 -22.792 -22.792 370 H SER 50 HN SER 50 -8.795 -19.314 -19.314 371 HA SER 50 HA SER 50 -8.193 -16.762 -16.762 372 1HB SER 50 HB2 SER 50 -10.565 -18.501 -18.501 373 2HB SER 50 HB1 SER 50 -10.858 -16.773 -16.773 374 HG SER 50 HG SER 50 -9.878 -18.649 -18.649 375 H GLY 51 HN GLY 51 -7.840 -17.691 -17.691 376 1HA GLY 51 HA2 GLY 51 -9.527 -16.048 -16.048 377 2HA GLY 51 HA1 GLY 51 -7.914 -16.585 -16.585 378 HA PRO 52 HA PRO 52 -8.085 -12.052 -12.052 379 1HB PRO 52 HB2 PRO 52 -9.140 -10.664 -10.664 380 2HB PRO 52 HB1 PRO 52 -10.121 -11.263 -11.263 381 1HG PRO 52 HG2 PRO 52 -9.739 -12.413 -12.413 382 2HG PRO 52 HG1 PRO 52 -11.209 -12.303 -12.303 383 1HD PRO 52 HD2 PRO 52 -9.740 -14.585 -14.585 384 2HD PRO 52 HD1 PRO 52 -10.708 -14.201 -14.201 385 H GLY 53 HN GLY 53 -5.812 -12.744 -12.744 386 1HA GLY 53 HA2 GLY 53 -4.132 -11.201 -11.201 387 2HA GLY 53 HA1 GLY 53 -4.831 -12.017 -12.017 388 H VAL 54 HN VAL 54 -5.135 -14.510 -14.510 389 HA VAL 54 HA VAL 54 -2.738 -15.853 -15.853 390 HB VAL 54 HB VAL 54 -4.807 -16.487 -16.487 391 1HG1 VAL 54 HG11 VAL 54 -2.424 -17.746 -17.746 392 2HG1 VAL 54 HG13 VAL 54 -3.402 -18.639 -18.639 393 3HG1 VAL 54 HG12 VAL 54 -3.891 -18.569 -18.569 394 1HG2 VAL 54 HG21 VAL 54 -4.683 -16.850 -16.850 395 2HG2 VAL 54 HG23 VAL 54 -6.040 -16.341 -16.341 396 3HG2 VAL 54 HG22 VAL 54 -5.549 -18.035 -18.035 397 H GLN 55 HN GLN 55 -3.796 -14.657 -14.657 398 HA GLN 55 HA GLN 55 -1.372 -15.415 -15.415 399 1HB GLN 55 HB2 GLN 55 -3.896 -14.232 -14.232 400 2HB GLN 55 HB1 GLN 55 -2.680 -13.088 -13.088 401 1HG GLN 55 HG2 GLN 55 -2.722 -14.419 -14.419 402 2HG GLN 55 HG1 GLN 55 -1.603 -15.398 -15.398 403 1HE2 GLN 55 HE21 GLN 55 -2.692 -17.159 -17.159 404 2HE2 GLN 55 HE22 GLN 55 -4.084 -17.904 -17.904 405 H ASP 56 HN ASP 56 -2.307 -12.732 -12.732 406 HA ASP 56 HA ASP 56 -0.235 -10.883 -10.883 407 1HB ASP 56 HB2 ASP 56 -2.292 -10.256 -10.256 408 2HB ASP 56 HB1 ASP 56 -1.801 -11.253 -11.253 409 H CYS 57 HN CYS 57 -0.479 -13.419 -13.419 410 HA CYS 57 HA CYS 57 2.082 -12.888 -12.888 411 1HB CYS 57 HB2 CYS 57 0.308 -15.336 -15.336 412 2HB CYS 57 HB1 CYS 57 1.768 -15.296 -15.296 413 H MET 58 HN MET 58 1.020 -14.941 -14.941 414 HA MET 58 HA MET 58 3.537 -16.257 -16.257 415 1HB MET 58 HB2 MET 58 1.210 -15.588 -15.588 416 2HB MET 58 HB1 MET 58 2.477 -16.757 -16.757 417 1HG MET 58 HG2 MET 58 1.835 -17.951 -17.951 418 2HG MET 58 HG1 MET 58 0.431 -16.886 -16.886 419 1HE MET 58 HE3 MET 58 -0.577 -19.042 -19.042 420 2HE MET 58 HE2 MET 58 -1.860 -18.455 -18.455 421 3HE MET 58 HE1 MET 58 -1.225 -20.083 -20.083 422 H LYS 59 HN LYS 59 2.165 -13.171 -13.171 423 HA LYS 59 HA LYS 59 4.096 -12.645 -12.645 424 1HB LYS 59 HB2 LYS 59 1.819 -11.472 -11.472 425 2HB LYS 59 HB1 LYS 59 3.104 -10.317 -10.317 426 1HG LYS 59 HG2 LYS 59 2.815 -9.582 -9.582 427 2HG LYS 59 HG1 LYS 59 3.627 -11.066 -11.066 428 1HD LYS 59 HD2 LYS 59 1.090 -11.986 -11.986 429 2HD LYS 59 HD1 LYS 59 0.761 -10.341 -10.341 430 1HE LYS 59 HE2 LYS 59 1.486 -10.783 -10.783 431 2HE LYS 59 HE1 LYS 59 2.839 -11.776 -11.776 432 1HZ LYS 59 HZ3 LYS 59 0.162 -12.790 -12.790 433 2HZ LYS 59 HZ2 LYS 59 0.641 -12.812 -12.812 434 3HZ LYS 59 HZ1 LYS 59 1.562 -13.628 -13.628 435 H LYS 60 HN LYS 60 3.892 -11.503 -11.503 436 HA LYS 60 HA LYS 60 6.521 -10.300 -10.300 437 1HB LYS 60 HB2 LYS 60 4.532 -9.810 -9.810 438 2HB LYS 60 HB1 LYS 60 4.855 -11.340 -11.340 439 1HG LYS 60 HG2 LYS 60 5.890 -9.369 -9.369 440 2HG LYS 60 HG1 LYS 60 7.072 -10.577 -10.577 441 1HD LYS 60 HD2 LYS 60 8.089 -9.123 -9.123 442 2HD LYS 60 HD1 LYS 60 6.551 -8.627 -8.627 443 1HE LYS 60 HE2 LYS 60 6.533 -7.530 -7.530 444 2HE LYS 60 HE1 LYS 60 8.172 -7.243 -7.243 445 1HZ LYS 60 HZ2 LYS 60 5.826 -6.846 -6.846 446 2HZ LYS 60 HZ1 LYS 60 6.286 -5.618 -5.618 447 3HZ LYS 60 HZ3 LYS 60 7.371 -6.145 -6.145 448 H LEU 61 HN LEU 61 5.372 -13.556 -13.556 449 HA LEU 61 HA LEU 61 7.574 -14.615 -14.615 450 1HB LEU 61 HB2 LEU 61 5.198 -15.542 -15.542 451 2HB LEU 61 HB1 LEU 61 6.505 -16.716 -16.716 452 HG LEU 61 HG LEU 61 4.642 -16.556 -16.556 453 1HD1 LEU 61 HD13 LEU 61 7.454 -17.315 -17.315 454 2HD1 LEU 61 HD12 LEU 61 6.921 -16.889 -16.889 455 3HD1 LEU 61 HD11 LEU 61 6.082 -18.152 -18.152 456 1HD2 LEU 61 HD22 LEU 61 5.493 -14.029 -14.029 457 2HD2 LEU 61 HD21 LEU 61 4.925 -14.965 -14.965 458 3HD2 LEU 61 HD23 LEU 61 6.654 -14.803 -14.803 459 H LYS 62 HN LYS 62 7.530 -13.331 -13.331 460 HA LYS 62 HA LYS 62 9.831 -15.061 -15.061 461 1HB LYS 62 HB2 LYS 62 7.268 -14.492 -14.492 462 2HB LYS 62 HB1 LYS 62 8.594 -13.990 -13.990 463 1HG LYS 62 HG2 LYS 62 9.034 -16.135 -16.135 464 2HG LYS 62 HG1 LYS 62 9.235 -16.534 -16.534 465 1HD LYS 62 HD2 LYS 62 7.424 -17.886 -17.886 466 2HD LYS 62 HD1 LYS 62 6.573 -16.417 -16.417 467 1HE LYS 62 HE2 LYS 62 6.389 -15.732 -15.732 468 2HE LYS 62 HE1 LYS 62 7.307 -17.166 -17.166 469 1HZ LYS 62 HZ2 LYS 62 5.009 -17.539 -17.539 470 2HZ LYS 62 HZ1 LYS 62 4.686 -17.209 -17.209 471 3HZ LYS 62 HZ3 LYS 62 5.611 -18.565 -18.565 472 HA PRO 63 HA PRO 63 11.483 -10.851 -10.851 473 1HB PRO 63 HB2 PRO 63 14.093 -11.654 -11.654 474 2HB PRO 63 HB1 PRO 63 12.998 -11.560 -11.560 475 1HG PRO 63 HG2 PRO 63 13.859 -13.930 -13.930 476 2HG PRO 63 HG1 PRO 63 13.587 -13.779 -13.779 477 1HD PRO 63 HD2 PRO 63 11.804 -14.928 -14.928 478 2HD PRO 63 HD1 PRO 63 11.342 -14.171 -14.171 479 H TYR 64 HN TYR 64 10.803 -10.727 -10.727 480 HA TYR 64 HA TYR 64 13.132 -10.700 -10.700 481 1HB TYR 64 HB2 TYR 64 10.850 -12.667 -12.667 482 2HB TYR 64 HB1 TYR 64 11.773 -12.206 -12.206 483 HD1 TYR 64 HD1 TYR 64 14.492 -11.988 -11.988 484 HD2 TYR 64 HD2 TYR 64 11.522 -14.756 -14.756 485 HE1 TYR 64 HE1 TYR 64 16.280 -13.584 -13.584 486 HE2 TYR 64 HE2 TYR 64 13.311 -16.352 -16.352 487 HH TYR 64 HH TYR 64 16.710 -15.457 -15.457 488 H SER 65 HN SER 65 11.345 -8.649 -8.649 489 HA SER 65 HA SER 65 10.112 -7.824 -7.824 490 1HB SER 65 HB2 SER 65 8.772 -7.211 -7.211 491 2HB SER 65 HB1 SER 65 8.054 -7.439 -7.439 492 HG SER 65 HG SER 65 7.720 -9.410 -9.410 493 H ILE 66 HN ILE 66 10.665 -5.737 -5.737 494 HA ILE 66 HA ILE 66 11.490 -3.875 -3.875 495 HB ILE 66 HB ILE 66 13.029 -4.771 -4.771 496 1HG1 ILE 66 HG12 ILE 66 14.143 -4.323 -4.323 497 2HG1 ILE 66 HG11 ILE 66 13.159 -5.757 -5.757 498 1HG2 ILE 66 HG23 ILE 66 13.397 -2.261 -2.261 499 2HG2 ILE 66 HG22 ILE 66 14.646 -2.923 -2.923 500 3HG2 ILE 66 HG21 ILE 66 13.123 -2.361 -2.361 501 1HD1 ILE 66 HD13 ILE 66 15.124 -5.284 -5.284 502 2HD1 ILE 66 HD12 ILE 66 15.874 -5.517 -5.517 503 3HD1 ILE 66 HD11 ILE 66 14.801 -6.754 -6.754 Start of MODEL 30 1 1H HIS 1 HT3 HIS 1 7.541 -40.140 -40.140 2 2H HIS 1 HT2 HIS 1 7.300 -38.696 -38.696 3 3H HIS 1 HT1 HIS 1 8.762 -38.963 -38.963 4 HA HIS 1 HA HIS 1 7.852 -38.557 -38.557 5 1HB HIS 1 HB2 HIS 1 6.630 -36.464 -36.464 6 2HB HIS 1 HB1 HIS 1 7.878 -36.605 -36.605 7 HD1 HIS 1 HD1 HIS 1 7.109 -36.499 -36.499 8 HD2 HIS 1 HD2 HIS 1 3.956 -37.283 -37.283 9 HE1 HIS 1 HE1 HIS 1 4.995 -36.443 -36.443 10 H PHE 2 HN PHE 2 6.235 -39.098 -39.098 11 HA PHE 2 HA PHE 2 3.974 -40.705 -40.705 12 1HB PHE 2 HB2 PHE 2 5.616 -41.115 -41.115 13 2HB PHE 2 HB1 PHE 2 4.516 -40.043 -40.043 14 HD1 PHE 2 HD1 PHE 2 1.892 -40.615 -40.615 15 HD2 PHE 2 HD2 PHE 2 5.178 -43.366 -43.366 16 HE1 PHE 2 HE1 PHE 2 0.296 -42.491 -42.491 17 HE2 PHE 2 HE2 PHE 2 3.582 -45.243 -45.243 18 HZ PHE 2 HZ PHE 2 1.141 -44.805 -44.805 19 H ALA 3 HN ALA 3 2.895 -38.733 -38.733 20 HA ALA 3 HA ALA 3 1.119 -37.173 -37.173 21 1HB ALA 3 HB2 ALA 3 0.417 -39.081 -39.081 22 2HB ALA 3 HB1 ALA 3 0.857 -37.949 -37.949 23 3HB ALA 3 HB3 ALA 3 -0.419 -37.534 -37.534 24 H ALA 4 HN ALA 4 0.407 -35.171 -35.171 25 HA ALA 4 HA ALA 4 2.853 -33.947 -33.947 26 1HB ALA 4 HB1 ALA 4 0.987 -33.098 -33.098 27 2HB ALA 4 HB3 ALA 4 1.516 -31.837 -31.837 28 3HB ALA 4 HB2 ALA 4 2.706 -32.757 -32.757 29 H ASP 5 HN ASP 5 2.055 -31.819 -31.819 30 HA ASP 5 HA ASP 5 0.386 -32.622 -32.622 31 1HB ASP 5 HB2 ASP 5 1.940 -30.343 -30.343 32 2HB ASP 5 HB1 ASP 5 0.452 -29.811 -29.811 33 H CYS 6 HN CYS 6 -1.702 -31.564 -31.564 34 HA CYS 6 HA CYS 6 -3.299 -30.520 -30.520 35 1HB CYS 6 HB2 CYS 6 -3.719 -33.060 -33.060 36 2HB CYS 6 HB1 CYS 6 -5.090 -32.235 -32.235 37 H CYS 7 HN CYS 7 -4.814 -29.007 -29.007 38 HA CYS 7 HA CYS 7 -4.776 -28.276 -28.276 39 1HB CYS 7 HB2 CYS 7 -5.454 -27.083 -27.083 40 2HB CYS 7 HB1 CYS 7 -6.385 -26.492 -26.492 41 H THR 8 HN THR 8 -6.511 -28.567 -28.567 42 HA THR 8 HA THR 8 -8.932 -29.936 -29.936 43 HB THR 8 HB THR 8 -7.491 -30.975 -30.975 44 HG1 THR 8 HG1 THR 8 -9.251 -31.843 -31.843 45 1HG2 THR 8 HG21 THR 8 -7.009 -28.762 -28.762 46 2HG2 THR 8 HG23 THR 8 -8.664 -28.777 -28.777 47 3HG2 THR 8 HG22 THR 8 -7.528 -30.031 -30.031 48 H SER 9 HN SER 9 -7.764 -27.014 -27.014 49 HA SER 9 HA SER 9 -10.404 -25.745 -25.745 50 1HB SER 9 HB2 SER 9 -8.947 -26.109 -26.109 51 2HB SER 9 HB1 SER 9 -10.353 -25.071 -25.071 52 HG SER 9 HG SER 9 -11.584 -26.839 -26.839 53 H TYR 10 HN TYR 10 -10.112 -23.521 -23.521 54 HA TYR 10 HA TYR 10 -7.318 -22.599 -22.599 55 1HB TYR 10 HB2 TYR 10 -9.984 -21.318 -21.318 56 2HB TYR 10 HB1 TYR 10 -8.403 -20.761 -20.761 57 HD1 TYR 10 HD1 TYR 10 -6.906 -22.670 -22.670 58 HD2 TYR 10 HD2 TYR 10 -11.192 -22.726 -22.726 59 HE1 TYR 10 HE1 TYR 10 -7.004 -24.277 -24.277 60 HE2 TYR 10 HE2 TYR 10 -11.291 -24.330 -24.330 61 HH TYR 10 HH TYR 10 -9.752 -26.046 -26.046 62 H ILE 11 HN ILE 11 -6.872 -20.274 -20.274 63 HA ILE 11 HA ILE 11 -7.171 -20.037 -20.037 64 HB ILE 11 HB ILE 11 -6.010 -17.992 -17.992 65 1HG1 ILE 11 HG12 ILE 11 -7.750 -17.003 -17.003 66 2HG1 ILE 11 HG11 ILE 11 -6.089 -16.635 -16.635 67 1HG2 ILE 11 HG22 ILE 11 -4.931 -20.115 -20.115 68 2HG2 ILE 11 HG21 ILE 11 -5.266 -19.354 -19.354 69 3HG2 ILE 11 HG23 ILE 11 -4.228 -18.543 -18.543 70 1HD1 ILE 11 HD12 ILE 11 -6.196 -18.647 -18.647 71 2HD1 ILE 11 HD11 ILE 11 -7.928 -18.711 -18.711 72 3HD1 ILE 11 HD13 ILE 11 -7.233 -17.296 -17.296 73 H SER 12 HN SER 12 -7.985 -17.456 -17.456 74 HA SER 12 HA SER 12 -10.917 -17.663 -17.663 75 1HB SER 12 HB2 SER 12 -10.442 -15.684 -15.684 76 2HB SER 12 HB1 SER 12 -10.750 -17.377 -17.377 77 HG SER 12 HG SER 12 -8.844 -17.153 -17.153 78 H GLN 13 HN GLN 13 -8.190 -15.648 -15.648 79 HA GLN 13 HA GLN 13 -9.968 -13.828 -13.828 80 1HB GLN 13 HB2 GLN 13 -8.755 -11.896 -11.896 81 2HB GLN 13 HB1 GLN 13 -9.592 -12.837 -12.837 82 1HG GLN 13 HG2 GLN 13 -7.512 -14.004 -14.004 83 2HG GLN 13 HG1 GLN 13 -6.661 -13.142 -13.142 84 1HE2 GLN 13 HE21 GLN 13 -5.718 -11.167 -11.167 85 2HE2 GLN 13 HE22 GLN 13 -6.061 -10.318 -10.318 86 H SER 14 HN SER 14 -8.143 -12.100 -12.100 87 HA SER 14 HA SER 14 -6.828 -13.413 -13.413 88 1HB SER 14 HB2 SER 14 -7.150 -10.847 -10.847 89 2HB SER 14 HB1 SER 14 -5.423 -11.075 -11.075 90 HG SER 14 HG SER 14 -6.158 -10.321 -10.321 91 H ILE 15 HN ILE 15 -4.635 -14.146 -14.146 92 HA ILE 15 HA ILE 15 -3.434 -15.437 -15.437 93 HB ILE 15 HB ILE 15 -2.631 -14.956 -14.956 94 1HG1 ILE 15 HG12 ILE 15 -4.508 -16.530 -16.530 95 2HG1 ILE 15 HG11 ILE 15 -3.123 -17.332 -17.332 96 1HG2 ILE 15 HG22 ILE 15 -0.646 -15.149 -15.149 97 2HG2 ILE 15 HG21 ILE 15 -1.205 -16.792 -16.792 98 3HG2 ILE 15 HG23 ILE 15 -0.702 -16.329 -16.329 99 1HD1 ILE 15 HD13 ILE 15 -2.424 -17.586 -17.586 100 2HD1 ILE 15 HD12 ILE 15 -4.177 -17.541 -17.541 101 3HD1 ILE 15 HD11 ILE 15 -3.431 -18.775 -18.775 102 HA PRO 16 HA PRO 16 -0.948 -11.989 -11.989 103 1HB PRO 16 HB2 PRO 16 0.631 -13.338 -13.338 104 2HB PRO 16 HB1 PRO 16 -1.053 -12.911 -12.911 105 1HG PRO 16 HG2 PRO 16 0.114 -15.514 -15.514 106 2HG PRO 16 HG1 PRO 16 -1.215 -15.183 -15.183 107 1HD PRO 16 HD2 PRO 16 -1.525 -16.027 -16.027 108 2HD PRO 16 HD1 PRO 16 -2.762 -15.163 -15.163 109 H CYS 17 HN CYS 17 0.130 -11.825 -11.825 110 HA CYS 17 HA CYS 17 2.291 -13.490 -13.490 111 1HB CYS 17 HB2 CYS 17 2.011 -10.507 -10.507 112 2HB CYS 17 HB1 CYS 17 2.733 -11.691 -11.691 113 H SER 18 HN SER 18 2.108 -10.758 -10.758 114 HA SER 18 HA SER 18 4.931 -10.242 -10.242 115 1HB SER 18 HB2 SER 18 3.940 -9.219 -9.219 116 2HB SER 18 HB1 SER 18 3.521 -8.515 -8.515 117 HG SER 18 HG SER 18 2.013 -10.542 -10.542 118 H LEU 19 HN LEU 19 3.451 -13.069 -13.069 119 HA LEU 19 HA LEU 19 5.337 -13.564 -13.564 120 1HB LEU 19 HB2 LEU 19 2.431 -13.558 -13.558 121 2HB LEU 19 HB1 LEU 19 3.040 -15.148 -15.148 122 HG LEU 19 HG LEU 19 4.514 -13.002 -13.002 123 1HD1 LEU 19 HD11 LEU 19 1.507 -13.115 -13.115 124 2HD1 LEU 19 HD13 LEU 19 2.500 -12.578 -12.578 125 3HD1 LEU 19 HD12 LEU 19 2.545 -11.698 -11.698 126 1HD2 LEU 19 HD22 LEU 19 3.000 -15.493 -15.493 127 2HD2 LEU 19 HD21 LEU 19 4.736 -15.189 -15.189 128 3HD2 LEU 19 HD23 LEU 19 3.647 -14.405 -14.405 129 H MET 20 HN MET 20 5.379 -14.208 -14.208 130 HA MET 20 HA MET 20 5.743 -17.161 -17.161 131 1HB MET 20 HB2 MET 20 4.478 -16.037 -16.037 132 2HB MET 20 HB1 MET 20 4.351 -17.662 -17.662 133 1HG MET 20 HG2 MET 20 3.191 -15.279 -15.279 134 2HG MET 20 HG1 MET 20 2.288 -16.127 -16.127 135 1HE MET 20 HE1 MET 20 0.572 -16.616 -16.616 136 2HE MET 20 HE3 MET 20 0.624 -18.380 -18.380 137 3HE MET 20 HE2 MET 20 0.271 -17.605 -17.605 138 H LYS 21 HN LYS 21 7.489 -17.964 -17.964 139 HA LYS 21 HA LYS 21 9.211 -15.963 -15.963 140 1HB LYS 21 HB2 LYS 21 10.329 -17.214 -17.214 141 2HB LYS 21 HB1 LYS 21 9.537 -18.716 -18.716 142 1HG LYS 21 HG2 LYS 21 10.800 -18.757 -18.757 143 2HG LYS 21 HG1 LYS 21 11.536 -17.202 -17.202 144 1HD LYS 21 HD2 LYS 21 12.673 -18.152 -18.152 145 2HD LYS 21 HD1 LYS 21 11.816 -19.680 -19.680 146 1HE LYS 21 HE2 LYS 21 12.992 -20.201 -20.201 147 2HE LYS 21 HE1 LYS 21 13.593 -18.540 -18.540 148 1HZ LYS 21 HZ1 LYS 21 14.468 -19.060 -19.060 149 2HZ LYS 21 HZ3 LYS 21 14.436 -20.656 -20.656 150 3HZ LYS 21 HZ2 LYS 21 15.373 -19.489 -19.489 151 H SER 22 HN SER 22 7.414 -18.955 -18.955 152 HA SER 22 HA SER 22 7.811 -18.477 -18.477 153 1HB SER 22 HB2 SER 22 9.583 -20.026 -20.026 154 2HB SER 22 HB1 SER 22 8.270 -21.192 -21.192 155 HG SER 22 HG SER 22 8.993 -19.934 -19.934 156 H TYR 23 HN TYR 23 6.439 -20.288 -20.288 157 HA TYR 23 HA TYR 23 4.046 -21.117 -21.117 158 1HB TYR 23 HB2 TYR 23 2.561 -19.846 -19.846 159 2HB TYR 23 HB1 TYR 23 3.799 -18.739 -18.739 160 HD1 TYR 23 HD1 TYR 23 2.771 -20.823 -20.823 161 HD2 TYR 23 HD2 TYR 23 5.337 -17.682 -17.682 162 HE1 TYR 23 HE1 TYR 23 3.414 -20.295 -20.295 163 HE2 TYR 23 HE2 TYR 23 5.982 -17.157 -17.157 164 HH TYR 23 HH TYR 23 4.318 -18.087 -18.087 165 H PHE 24 HN PHE 24 2.799 -22.775 -22.775 166 HA PHE 24 HA PHE 24 3.885 -23.653 -23.653 167 1HB PHE 24 HB2 PHE 24 4.654 -25.725 -25.725 168 2HB PHE 24 HB1 PHE 24 5.100 -24.654 -24.654 169 HD1 PHE 24 HD1 PHE 24 2.377 -26.961 -26.961 170 HD2 PHE 24 HD2 PHE 24 4.300 -25.045 -25.045 171 HE1 PHE 24 HE1 PHE 24 1.016 -28.315 -28.315 172 HE2 PHE 24 HE2 PHE 24 2.934 -26.401 -26.401 173 HZ PHE 24 HZ PHE 24 1.294 -28.036 -28.036 174 H GLU 25 HN GLU 25 2.344 -24.763 -24.763 175 HA GLU 25 HA GLU 25 -0.424 -24.724 -24.724 176 1HB GLU 25 HB2 GLU 25 -0.965 -25.130 -25.130 177 2HB GLU 25 HB1 GLU 25 0.160 -23.782 -23.782 178 1HG GLU 25 HG2 GLU 25 1.846 -25.971 -25.971 179 2HG GLU 25 HG1 GLU 25 0.545 -26.390 -26.390 180 H THR 26 HN THR 26 -1.676 -26.613 -26.613 181 HA THR 26 HA THR 26 -0.184 -29.103 -29.103 182 HB THR 26 HB THR 26 -2.354 -29.860 -29.860 183 HG1 THR 26 HG1 THR 26 -4.173 -28.711 -28.711 184 1HG2 THR 26 HG23 THR 26 -1.153 -27.276 -27.276 185 2HG2 THR 26 HG22 THR 26 -2.806 -27.503 -27.503 186 3HG2 THR 26 HG21 THR 26 -1.556 -28.666 -28.666 187 H SER 27 HN SER 27 -1.932 -31.061 -31.061 188 HA SER 27 HA SER 27 -1.744 -30.959 -30.959 189 1HB SER 27 HB2 SER 27 -2.258 -33.225 -33.225 190 2HB SER 27 HB1 SER 27 -1.943 -33.409 -33.409 191 HG SER 27 HG SER 27 0.097 -33.194 -33.194 192 H SER 28 HN SER 28 -3.585 -31.082 -31.082 193 HA SER 28 HA SER 28 -6.159 -30.456 -30.456 194 1HB SER 28 HB2 SER 28 -6.731 -30.167 -30.167 195 2HB SER 28 HB1 SER 28 -4.976 -30.156 -30.156 196 HG SER 28 HG SER 28 -6.830 -32.073 -32.073 197 H GLU 29 HN GLU 29 -4.485 -33.366 -33.366 198 HA GLU 29 HA GLU 29 -6.668 -35.192 -35.192 199 1HB GLU 29 HB2 GLU 29 -4.017 -35.398 -35.398 200 2HB GLU 29 HB1 GLU 29 -4.283 -35.914 -35.914 201 1HG GLU 29 HG2 GLU 29 -6.224 -37.312 -37.312 202 2HG GLU 29 HG1 GLU 29 -4.861 -37.327 -37.327 203 H CYS 30 HN CYS 30 -5.565 -33.499 -33.499 204 HA CYS 30 HA CYS 30 -6.768 -35.249 -35.249 205 1HB CYS 30 HB2 CYS 30 -5.216 -32.854 -32.854 206 2HB CYS 30 HB1 CYS 30 -6.612 -32.521 -32.521 207 H SER 31 HN SER 31 -8.763 -34.890 -34.890 208 HA SER 31 HA SER 31 -11.006 -34.107 -34.107 209 1HB SER 31 HB2 SER 31 -10.794 -34.207 -34.207 210 2HB SER 31 HB1 SER 31 -12.229 -34.513 -34.513 211 HG SER 31 HG SER 31 -11.536 -36.452 -36.452 212 H LYS 32 HN LYS 32 -8.729 -32.206 -32.206 213 HA LYS 32 HA LYS 32 -10.333 -29.768 -29.768 214 1HB LYS 32 HB2 LYS 32 -10.169 -31.062 -31.062 215 2HB LYS 32 HB1 LYS 32 -9.193 -29.597 -29.597 216 1HG LYS 32 HG2 LYS 32 -11.170 -28.377 -28.377 217 2HG LYS 32 HG1 LYS 32 -12.110 -29.834 -29.834 218 1HD LYS 32 HD2 LYS 32 -10.793 -29.335 -29.335 219 2HD LYS 32 HD1 LYS 32 -11.279 -27.736 -27.736 220 1HE LYS 32 HE2 LYS 32 -13.206 -30.075 -30.075 221 2HE LYS 32 HE1 LYS 32 -13.021 -28.985 -28.985 222 1HZ LYS 32 HZ2 LYS 32 -13.369 -27.929 -27.929 223 2HZ LYS 32 HZ1 LYS 32 -14.722 -28.359 -28.359 224 3HZ LYS 32 HZ3 LYS 32 -13.664 -27.152 -27.152 225 HA PRO 33 HA PRO 33 -5.971 -29.046 -29.046 226 1HB PRO 33 HB2 PRO 33 -6.491 -27.080 -27.080 227 2HB PRO 33 HB1 PRO 33 -6.561 -28.809 -28.809 228 1HG PRO 33 HG2 PRO 33 -8.772 -26.901 -26.901 229 2HG PRO 33 HG1 PRO 33 -8.708 -28.218 -28.218 230 1HD PRO 33 HD2 PRO 33 -9.988 -28.396 -28.396 231 2HD PRO 33 HD1 PRO 33 -9.320 -29.794 -29.794 232 H GLY 34 HN GLY 34 -4.956 -26.605 -26.605 233 1HA GLY 34 HA2 GLY 34 -5.753 -24.259 -24.259 234 2HA GLY 34 HA1 GLY 34 -5.678 -25.198 -25.198 235 H VAL 35 HN VAL 35 -4.003 -22.937 -22.937 236 HA VAL 35 HA VAL 35 -1.334 -24.213 -24.213 237 HB VAL 35 HB VAL 35 -1.637 -22.407 -22.407 238 1HG1 VAL 35 HG13 VAL 35 -3.127 -21.200 -21.200 239 2HG1 VAL 35 HG12 VAL 35 -2.382 -20.113 -20.113 240 3HG1 VAL 35 HG11 VAL 35 -3.577 -21.298 -21.298 241 1HG2 VAL 35 HG21 VAL 35 0.424 -22.284 -22.284 242 2HG2 VAL 35 HG23 VAL 35 0.024 -20.854 -20.854 243 3HG2 VAL 35 HG22 VAL 35 -0.416 -20.930 -20.930 244 H ILE 36 HN ILE 36 -0.026 -24.476 -24.476 245 HA ILE 36 HA ILE 36 -0.862 -23.168 -23.168 246 HB ILE 36 HB ILE 36 0.681 -25.632 -25.632 247 1HG1 ILE 36 HG12 ILE 36 -1.652 -25.009 -25.009 248 2HG1 ILE 36 HG11 ILE 36 -1.692 -25.907 -25.907 249 1HG2 ILE 36 HG23 ILE 36 0.852 -24.112 -24.112 250 2HG2 ILE 36 HG22 ILE 36 1.100 -25.855 -25.855 251 3HG2 ILE 36 HG21 ILE 36 2.165 -24.788 -24.788 252 1HD1 ILE 36 HD11 ILE 36 -0.088 -27.566 -27.566 253 2HD1 ILE 36 HD13 ILE 36 -0.441 -26.750 -26.750 254 3HD1 ILE 36 HD12 ILE 36 -1.734 -27.553 -27.553 255 H PHE 37 HN PHE 37 0.446 -21.611 -21.611 256 HA PHE 37 HA PHE 37 2.938 -20.890 -20.890 257 1HB PHE 37 HB2 PHE 37 1.272 -19.599 -19.599 258 2HB PHE 37 HB1 PHE 37 2.741 -18.880 -18.880 259 HD1 PHE 37 HD1 PHE 37 -0.614 -20.197 -20.197 260 HD2 PHE 37 HD2 PHE 37 2.668 -17.598 -17.598 261 HE1 PHE 37 HE1 PHE 37 -1.917 -19.247 -19.247 262 HE2 PHE 37 HE2 PHE 37 1.364 -16.652 -16.652 263 HZ PHE 37 HZ PHE 37 -0.930 -17.473 -17.473 264 H LEU 38 HN LEU 38 4.960 -21.257 -21.257 265 HA LEU 38 HA LEU 38 5.070 -22.608 -22.608 266 1HB LEU 38 HB2 LEU 38 6.603 -22.561 -22.561 267 2HB LEU 38 HB1 LEU 38 7.602 -22.624 -22.624 268 HG LEU 38 HG LEU 38 5.232 -24.453 -24.453 269 1HD1 LEU 38 HD13 LEU 38 7.618 -24.484 -24.484 270 2HD1 LEU 38 HD12 LEU 38 7.313 -26.008 -26.008 271 3HD1 LEU 38 HD11 LEU 38 6.071 -25.306 -25.306 272 1HD2 LEU 38 HD23 LEU 38 6.980 -24.049 -24.049 273 2HD2 LEU 38 HD22 LEU 38 6.338 -25.655 -25.655 274 3HD2 LEU 38 HD21 LEU 38 7.935 -25.198 -25.198 275 H THR 39 HN THR 39 5.603 -21.327 -21.327 276 HA THR 39 HA THR 39 6.660 -18.617 -18.617 277 HB THR 39 HB THR 39 5.930 -18.196 -18.196 278 HG1 THR 39 HG1 THR 39 5.999 -19.662 -19.662 279 1HG2 THR 39 HG21 THR 39 4.200 -19.319 -19.319 280 2HG2 THR 39 HG23 THR 39 4.030 -20.431 -20.431 281 3HG2 THR 39 HG22 THR 39 3.714 -18.711 -18.711 282 H LYS 40 HN LYS 40 8.477 -17.822 -17.822 283 HA LYS 40 HA LYS 40 10.826 -19.449 -19.449 284 1HB LYS 40 HB2 LYS 40 10.902 -17.027 -17.027 285 2HB LYS 40 HB1 LYS 40 10.186 -16.960 -16.960 286 1HG LYS 40 HG2 LYS 40 12.656 -16.624 -16.624 287 2HG LYS 40 HG1 LYS 40 12.157 -18.048 -18.048 288 1HD LYS 40 HD2 LYS 40 13.073 -19.515 -19.515 289 2HD LYS 40 HD1 LYS 40 12.801 -18.430 -18.430 290 1HE LYS 40 HE2 LYS 40 15.104 -18.188 -18.188 291 2HE LYS 40 HE1 LYS 40 14.597 -16.945 -16.945 292 1HZ LYS 40 HZ3 LYS 40 14.429 -19.051 -19.051 293 2HZ LYS 40 HZ2 LYS 40 15.606 -19.656 -19.656 294 3HZ LYS 40 HZ1 LYS 40 15.897 -18.225 -18.225 295 H LYS 41 HN LYS 41 8.575 -18.966 -18.966 296 HA LYS 41 HA LYS 41 10.231 -20.151 -20.151 297 1HB LYS 41 HB2 LYS 41 8.223 -18.642 -18.642 298 2HB LYS 41 HB1 LYS 41 7.209 -20.002 -20.002 299 1HG LYS 41 HG2 LYS 41 7.379 -20.967 -20.967 300 2HG LYS 41 HG1 LYS 41 9.127 -20.737 -20.737 301 1HD LYS 41 HD2 LYS 41 8.643 -18.276 -18.276 302 2HD LYS 41 HD1 LYS 41 6.973 -18.768 -18.768 303 1HE LYS 41 HE2 LYS 41 7.980 -20.548 -20.548 304 2HE LYS 41 HE1 LYS 41 9.450 -19.558 -19.558 305 1HZ LYS 41 HZ3 LYS 41 6.770 -18.384 -18.384 306 2HZ LYS 41 HZ2 LYS 41 7.739 -18.943 -18.943 307 3HZ LYS 41 HZ1 LYS 41 8.287 -17.680 -17.680 308 H GLY 42 HN GLY 42 8.703 -21.486 -21.486 309 1HA GLY 42 HA2 GLY 42 8.921 -23.807 -23.807 310 2HA GLY 42 HA1 GLY 42 9.099 -24.215 -24.215 311 H ARG 43 HN ARG 43 6.558 -22.016 -22.016 312 HA ARG 43 HA ARG 43 4.563 -24.105 -24.105 313 1HB ARG 43 HB2 ARG 43 4.954 -21.269 -21.269 314 2HB ARG 43 HB1 ARG 43 3.388 -21.553 -21.553 315 1HG ARG 43 HG2 ARG 43 2.559 -22.210 -22.210 316 2HG ARG 43 HG1 ARG 43 3.728 -23.530 -23.530 317 1HD ARG 43 HD2 ARG 43 5.395 -21.619 -21.619 318 2HD ARG 43 HD1 ARG 43 3.895 -20.814 -20.814 319 HE ARG 43 HE ARG 43 4.661 -23.576 -23.576 320 1HH1 ARG 43 HH11 ARG 43 1.847 -22.120 -22.120 321 2HH1 ARG 43 HH12 ARG 43 1.822 -21.758 -21.758 322 1HH2 ARG 43 HH21 ARG 43 5.196 -22.422 -22.422 323 2HH2 ARG 43 HH22 ARG 43 3.720 -21.929 -21.929 324 H GLN 44 HN GLN 44 2.345 -23.669 -23.669 325 HA GLN 44 HA GLN 44 2.801 -23.067 -23.067 326 1HB GLN 44 HB2 GLN 44 1.710 -25.687 -25.687 327 2HB GLN 44 HB1 GLN 44 1.860 -25.265 -25.265 328 1HG GLN 44 HG2 GLN 44 4.382 -24.820 -24.820 329 2HG GLN 44 HG1 GLN 44 4.015 -25.896 -25.896 330 1HE2 GLN 44 HE21 GLN 44 4.726 -27.964 -27.964 331 2HE2 GLN 44 HE22 GLN 44 4.504 -28.701 -28.701 332 H VAL 45 HN VAL 45 0.987 -22.124 -22.124 333 HA VAL 45 HA VAL 45 -1.507 -22.084 -22.084 334 HB VAL 45 HB VAL 45 -0.240 -20.117 -20.117 335 1HG1 VAL 45 HG13 VAL 45 -2.775 -20.241 -20.241 336 2HG1 VAL 45 HG12 VAL 45 -2.809 -19.752 -19.752 337 3HG1 VAL 45 HG11 VAL 45 -2.127 -18.672 -18.672 338 1HG2 VAL 45 HG21 VAL 45 -0.159 -20.536 -20.536 339 2HG2 VAL 45 HG23 VAL 45 0.754 -19.387 -19.387 340 3HG2 VAL 45 HG22 VAL 45 -0.845 -18.955 -18.955 341 H CYS 46 HN CYS 46 -3.551 -22.193 -22.193 342 HA CYS 46 HA CYS 46 -3.249 -23.597 -23.597 343 1HB CYS 46 HB2 CYS 46 -4.955 -23.836 -23.836 344 2HB CYS 46 HB1 CYS 46 -5.844 -23.951 -23.951 345 H ALA 47 HN ALA 47 -4.028 -22.549 -22.549 346 HA ALA 47 HA ALA 47 -5.969 -20.306 -20.306 347 1HB ALA 47 HB2 ALA 47 -3.261 -20.374 -20.374 348 2HB ALA 47 HB1 ALA 47 -4.459 -19.485 -19.485 349 3HB ALA 47 HB3 ALA 47 -4.134 -19.028 -19.028 350 H LYS 48 HN LYS 48 -7.322 -19.867 -19.867 351 HA LYS 48 HA LYS 48 -8.209 -22.203 -22.203 352 1HB LYS 48 HB2 LYS 48 -8.900 -19.397 -19.397 353 2HB LYS 48 HB1 LYS 48 -9.185 -19.902 -19.902 354 1HG LYS 48 HG2 LYS 48 -10.411 -21.917 -21.917 355 2HG LYS 48 HG1 LYS 48 -10.292 -21.170 -21.170 356 1HD LYS 48 HD2 LYS 48 -11.500 -19.767 -19.767 357 2HD LYS 48 HD1 LYS 48 -12.457 -20.702 -20.702 358 1HE LYS 48 HE2 LYS 48 -10.664 -18.369 -18.369 359 2HE LYS 48 HE1 LYS 48 -12.423 -18.263 -18.263 360 1HZ LYS 48 HZ3 LYS 48 -12.113 -20.480 -20.480 361 2HZ LYS 48 HZ2 LYS 48 -10.893 -19.464 -19.464 362 3HZ LYS 48 HZ1 LYS 48 -12.510 -18.941 -18.941 363 HA PRO 49 HA PRO 49 -5.901 -21.962 -21.962 364 1HB PRO 49 HB2 PRO 49 -7.784 -22.061 -22.061 365 2HB PRO 49 HB1 PRO 49 -7.367 -23.460 -23.460 366 1HG PRO 49 HG2 PRO 49 -9.691 -21.605 -21.605 367 2HG PRO 49 HG1 PRO 49 -9.622 -23.355 -23.355 368 1HD PRO 49 HD2 PRO 49 -9.683 -21.524 -21.524 369 2HD PRO 49 HD1 PRO 49 -8.956 -23.137 -23.137 370 H SER 50 HN SER 50 -8.615 -19.696 -19.696 371 HA SER 50 HA SER 50 -6.926 -17.655 -17.655 372 1HB SER 50 HB2 SER 50 -9.837 -17.489 -17.489 373 2HB SER 50 HB1 SER 50 -8.526 -17.375 -17.375 374 HG SER 50 HG SER 50 -9.986 -19.566 -19.566 375 H GLY 51 HN GLY 51 -7.369 -18.059 -18.059 376 1HA GLY 51 HA2 GLY 51 -9.414 -16.323 -16.323 377 2HA GLY 51 HA1 GLY 51 -7.983 -16.832 -16.832 378 HA PRO 52 HA PRO 52 -7.726 -12.387 -12.387 379 1HB PRO 52 HB2 PRO 52 -8.952 -10.926 -10.926 380 2HB PRO 52 HB1 PRO 52 -9.803 -11.510 -11.510 381 1HG PRO 52 HG2 PRO 52 -9.728 -12.662 -12.662 382 2HG PRO 52 HG1 PRO 52 -11.102 -12.473 -12.473 383 1HD PRO 52 HD2 PRO 52 -9.825 -14.835 -14.835 384 2HD PRO 52 HD1 PRO 52 -10.552 -14.362 -14.362 385 H GLY 53 HN GLY 53 -5.620 -11.915 -11.915 386 1HA GLY 53 HA2 GLY 53 -4.039 -10.866 -10.866 387 2HA GLY 53 HA1 GLY 53 -4.873 -11.677 -11.677 388 H VAL 54 HN VAL 54 -5.039 -14.238 -14.238 389 HA VAL 54 HA VAL 54 -2.626 -15.472 -15.472 390 HB VAL 54 HB VAL 54 -4.745 -16.248 -16.248 391 1HG1 VAL 54 HG11 VAL 54 -2.395 -17.404 -17.404 392 2HG1 VAL 54 HG13 VAL 54 -2.895 -18.207 -18.207 393 3HG1 VAL 54 HG12 VAL 54 -3.846 -18.407 -18.407 394 1HG2 VAL 54 HG21 VAL 54 -5.016 -15.932 -15.932 395 2HG2 VAL 54 HG23 VAL 54 -5.897 -17.160 -17.160 396 3HG2 VAL 54 HG22 VAL 54 -4.427 -17.593 -17.593 397 H GLN 55 HN GLN 55 -3.635 -14.387 -14.387 398 HA GLN 55 HA GLN 55 -1.233 -15.246 -15.246 399 1HB GLN 55 HB2 GLN 55 -3.509 -14.637 -14.637 400 2HB GLN 55 HB1 GLN 55 -3.087 -12.947 -12.947 401 1HG GLN 55 HG2 GLN 55 -2.115 -13.012 -13.012 402 2HG GLN 55 HG1 GLN 55 -0.844 -13.967 -13.967 403 1HE2 GLN 55 HE21 GLN 55 -0.985 -16.347 -16.347 404 2HE2 GLN 55 HE22 GLN 55 -1.936 -17.049 -17.049 405 H ASP 56 HN ASP 56 -2.117 -12.425 -12.425 406 HA ASP 56 HA ASP 56 0.052 -10.711 -10.711 407 1HB ASP 56 HB2 ASP 56 -2.112 -10.117 -10.117 408 2HB ASP 56 HB1 ASP 56 -1.384 -10.799 -10.799 409 H CYS 57 HN CYS 57 -0.348 -13.170 -13.170 410 HA CYS 57 HA CYS 57 2.146 -12.702 -12.702 411 1HB CYS 57 HB2 CYS 57 0.337 -15.103 -15.103 412 2HB CYS 57 HB1 CYS 57 1.744 -15.139 -15.139 413 H MET 58 HN MET 58 1.226 -14.870 -14.870 414 HA MET 58 HA MET 58 3.859 -16.037 -16.037 415 1HB MET 58 HB2 MET 58 1.777 -15.796 -15.796 416 2HB MET 58 HB1 MET 58 2.896 -17.119 -17.119 417 1HG MET 58 HG2 MET 58 1.580 -17.145 -17.145 418 2HG MET 58 HG1 MET 58 0.308 -16.468 -16.468 419 1HE MET 58 HE3 MET 58 -0.147 -17.106 -17.106 420 2HE MET 58 HE2 MET 58 0.427 -18.527 -18.527 421 3HE MET 58 HE1 MET 58 -1.074 -18.613 -18.613 422 H LYS 59 HN LYS 59 2.312 -13.142 -13.142 423 HA LYS 59 HA LYS 59 4.145 -12.673 -12.673 424 1HB LYS 59 HB2 LYS 59 1.985 -11.351 -11.351 425 2HB LYS 59 HB1 LYS 59 3.259 -10.208 -10.208 426 1HG LYS 59 HG2 LYS 59 2.432 -12.140 -12.140 427 2HG LYS 59 HG1 LYS 59 1.284 -10.862 -10.862 428 1HD LYS 59 HD2 LYS 59 3.334 -9.275 -9.275 429 2HD LYS 59 HD1 LYS 59 4.095 -10.606 -10.606 430 1HE LYS 59 HE2 LYS 59 2.326 -10.604 -10.604 431 2HE LYS 59 HE1 LYS 59 1.399 -9.411 -9.411 432 1HZ LYS 59 HZ1 LYS 59 3.544 -8.038 -8.038 433 2HZ LYS 59 HZ3 LYS 59 3.997 -9.072 -9.072 434 3HZ LYS 59 HZ2 LYS 59 2.594 -8.124 -8.124 435 H LYS 60 HN LYS 60 3.994 -11.328 -11.328 436 HA LYS 60 HA LYS 60 6.579 -10.040 -10.040 437 1HB LYS 60 HB2 LYS 60 4.989 -9.207 -9.207 438 2HB LYS 60 HB1 LYS 60 4.625 -10.819 -10.819 439 1HG LYS 60 HG2 LYS 60 6.024 -9.594 -9.594 440 2HG LYS 60 HG1 LYS 60 6.917 -10.961 -10.961 441 1HD LYS 60 HD2 LYS 60 8.396 -9.617 -9.617 442 2HD LYS 60 HD1 LYS 60 7.161 -8.426 -8.426 443 1HE LYS 60 HE2 LYS 60 7.189 -7.850 -7.850 444 2HE LYS 60 HE1 LYS 60 8.752 -8.688 -8.688 445 1HZ LYS 60 HZ3 LYS 60 8.016 -6.584 -6.584 446 2HZ LYS 60 HZ2 LYS 60 8.877 -6.260 -6.260 447 3HZ LYS 60 HZ1 LYS 60 9.547 -7.274 -7.274 448 H LEU 61 HN LEU 61 5.507 -13.299 -13.299 449 HA LEU 61 HA LEU 61 7.870 -14.122 -14.122 450 1HB LEU 61 HB2 LEU 61 5.358 -15.222 -15.222 451 2HB LEU 61 HB1 LEU 61 6.691 -16.375 -16.375 452 HG LEU 61 HG LEU 61 7.085 -16.178 -16.178 453 1HD1 LEU 61 HD11 LEU 61 5.598 -13.636 -13.636 454 2HD1 LEU 61 HD13 LEU 61 5.307 -14.479 -14.479 455 3HD1 LEU 61 HD12 LEU 61 6.947 -14.008 -14.008 456 1HD2 LEU 61 HD23 LEU 61 4.407 -16.717 -16.717 457 2HD2 LEU 61 HD22 LEU 61 5.322 -17.564 -17.564 458 3HD2 LEU 61 HD21 LEU 61 4.363 -16.144 -16.144 459 H LYS 62 HN LYS 62 7.524 -13.190 -13.190 460 HA LYS 62 HA LYS 62 9.519 -15.173 -15.173 461 1HB LYS 62 HB2 LYS 62 7.451 -13.354 -13.354 462 2HB LYS 62 HB1 LYS 62 8.721 -14.094 -14.094 463 1HG LYS 62 HG2 LYS 62 7.760 -16.206 -16.206 464 2HG LYS 62 HG1 LYS 62 6.305 -15.299 -15.299 465 1HD LYS 62 HD2 LYS 62 6.662 -16.867 -16.867 466 2HD LYS 62 HD1 LYS 62 7.140 -15.287 -15.287 467 1HE LYS 62 HE2 LYS 62 9.411 -15.817 -15.817 468 2HE LYS 62 HE1 LYS 62 9.218 -17.015 -17.015 469 1HZ LYS 62 HZ1 LYS 62 7.928 -18.387 -18.387 470 2HZ LYS 62 HZ3 LYS 62 8.180 -17.255 -17.255 471 3HZ LYS 62 HZ2 LYS 62 9.496 -18.115 -18.115 472 HA PRO 63 HA PRO 63 12.452 -11.856 -11.856 473 1HB PRO 63 HB2 PRO 63 14.471 -13.090 -13.090 474 2HB PRO 63 HB1 PRO 63 14.061 -13.489 -13.489 475 1HG PRO 63 HG2 PRO 63 13.360 -14.915 -14.915 476 2HG PRO 63 HG1 PRO 63 13.810 -15.574 -15.574 477 1HD PRO 63 HD2 PRO 63 11.235 -15.437 -15.437 478 2HD PRO 63 HD1 PRO 63 11.670 -15.433 -15.433 479 H TYR 64 HN TYR 64 11.344 -10.353 -10.353 480 HA TYR 64 HA TYR 64 12.357 -10.368 -10.368 481 1HB TYR 64 HB2 TYR 64 9.772 -11.018 -11.018 482 2HB TYR 64 HB1 TYR 64 9.640 -9.336 -9.336 483 HD1 TYR 64 HD1 TYR 64 10.981 -8.792 -8.792 484 HD2 TYR 64 HD2 TYR 64 9.528 -12.667 -12.667 485 HE1 TYR 64 HE1 TYR 64 11.029 -9.514 -9.514 486 HE2 TYR 64 HE2 TYR 64 9.576 -13.388 -13.388 487 HH TYR 64 HH TYR 64 11.042 -11.425 -11.425 488 H SER 65 HN SER 65 12.467 -8.775 -8.775 489 HA SER 65 HA SER 65 13.077 -6.206 -6.206 490 1HB SER 65 HB2 SER 65 10.402 -6.835 -6.835 491 2HB SER 65 HB1 SER 65 11.073 -5.462 -5.462 492 HG SER 65 HG SER 65 11.198 -4.326 -4.326 493 H ILE 66 HN ILE 66 14.988 -7.157 -7.157 494 HA ILE 66 HA ILE 66 14.869 -5.987 -5.987 495 HB ILE 66 HB ILE 66 14.412 -8.399 -8.399 496 1HG1 ILE 66 HG12 ILE 66 16.960 -8.844 -8.844 497 2HG1 ILE 66 HG11 ILE 66 16.773 -7.092 -7.092 498 1HG2 ILE 66 HG21 ILE 66 16.271 -8.506 -8.506 499 2HG2 ILE 66 HG23 ILE 66 16.977 -9.416 -9.416 500 3HG2 ILE 66 HG22 ILE 66 15.381 -9.847 -9.847 501 1HD1 ILE 66 HD11 ILE 66 14.767 -9.106 -9.106 502 2HD1 ILE 66 HD13 ILE 66 15.916 -8.203 -8.203 503 3HD1 ILE 66 HD12 ILE 66 14.638 -7.350 -7.350
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