NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573578 | 2m5w | 18621 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -5.023 -19.209 -1.383 2 H2 MET 1 H2 MET 1 -4.473 -18.433 -0.015 3 H3 MET 1 H3 MET 1 -5.181 -17.599 -1.246 4 HA MET 1 HA MET 1 -2.756 -17.359 -1.152 5 HB2 MET 1 2HB MET 1 -1.460 -19.254 -2.118 6 HB3 MET 1 3HB MET 1 -2.200 -19.670 -0.575 7 HG2 MET 1 2HG MET 1 -3.993 -20.881 -1.672 8 HG3 MET 1 3HG MET 1 -3.441 -20.370 -3.270 9 HE1 MET 1 1HE MET 1 -3.900 -23.358 -1.429 10 HE2 MET 1 2HE MET 1 -4.096 -23.142 -3.185 11 HE3 MET 1 3HE MET 1 -2.942 -24.344 -2.556 12 H SER 2 H SER 2 -1.587 -17.968 -3.666 13 HA SER 2 HA SER 2 -1.663 -17.247 -5.784 14 HB2 SER 2 2HB SER 2 -4.335 -18.700 -5.743 15 HB3 SER 2 3HB SER 2 -3.231 -18.501 -7.127 16 HG SER 2 HG SER 2 -2.944 -20.526 -6.117 17 H GLU 3 H GLU 3 -4.204 -16.712 -7.372 18 HA GLU 3 HA GLU 3 -4.108 -13.929 -6.806 19 HB2 GLU 3 2HB GLU 3 -5.528 -15.629 -8.859 20 HB3 GLU 3 3HB GLU 3 -5.812 -13.865 -8.741 21 HG2 GLU 3 2HG GLU 3 -3.391 -13.431 -8.762 22 HG3 GLU 3 3HG GLU 3 -3.038 -15.158 -8.836 23 H GLU 4 H GLU 4 -6.179 -16.337 -5.382 24 HA GLU 4 HA GLU 4 -8.352 -14.483 -4.842 25 HB2 GLU 4 2HB GLU 4 -7.362 -16.960 -3.362 26 HB3 GLU 4 3HB GLU 4 -8.798 -16.032 -2.901 27 HG2 GLU 4 2HG GLU 4 -9.823 -16.468 -5.098 28 HG3 GLU 4 3HG GLU 4 -8.401 -17.405 -5.592 29 H THR 5 H THR 5 -5.647 -15.604 -2.706 30 HA THR 5 HA THR 5 -6.292 -13.554 -0.781 31 HB THR 5 HB THR 5 -3.721 -15.120 -1.142 32 HG1 THR 5 1HG THR 5 -6.037 -15.634 0.409 33 HG21 THR 5 1HG2 THR 5 -3.517 -14.813 1.350 34 HG22 THR 5 2HG2 THR 5 -3.372 -13.302 0.445 35 HG23 THR 5 3HG2 THR 5 -4.887 -13.681 1.289 36 H SER 6 H SER 6 -3.899 -13.746 -3.462 37 HA SER 6 HA SER 6 -2.542 -11.352 -2.798 38 HB2 SER 6 2HB SER 6 -1.862 -13.103 -4.507 39 HB3 SER 6 3HB SER 6 -3.062 -12.394 -5.610 40 HG SER 6 HG SER 6 -0.597 -11.651 -5.169 41 H THR 7 H THR 7 -5.479 -11.891 -4.820 42 HA THR 7 HA THR 7 -5.798 -9.121 -5.357 43 HB THR 7 HB THR 7 -7.754 -11.401 -5.698 44 HG1 THR 7 1HG THR 7 -6.220 -11.718 -7.142 45 HG21 THR 7 1HG2 THR 7 -8.811 -9.875 -7.367 46 HG22 THR 7 2HG2 THR 7 -9.011 -9.365 -5.683 47 HG23 THR 7 3HG2 THR 7 -7.813 -8.547 -6.730 48 H GLN 8 H GLN 8 -6.977 -11.185 -2.729 49 HA GLN 8 HA GLN 8 -8.953 -9.381 -1.650 50 HB2 GLN 8 2HB GLN 8 -6.982 -11.358 -0.445 51 HB3 GLN 8 3HB GLN 8 -7.936 -10.348 0.584 52 HG2 GLN 8 2HG GLN 8 -9.179 -12.147 -1.545 53 HG3 GLN 8 3HG GLN 8 -8.887 -12.672 0.120 54 HE21 GLN 8 1HE2 GLN 8 -11.512 -12.690 -0.944 55 HE22 GLN 8 2HE2 GLN 8 -12.404 -11.425 -0.108 56 H ILE 9 H ILE 9 -5.457 -9.596 -1.409 57 HA ILE 9 HA ILE 9 -5.317 -7.517 0.614 58 HB ILE 9 HB ILE 9 -3.290 -9.074 -1.052 59 HG12 ILE 9 2HG1 ILE 9 -3.673 -8.951 1.966 60 HG13 ILE 9 3HG1 ILE 9 -4.649 -10.016 0.944 61 HG21 ILE 9 1HG2 ILE 9 -2.313 -6.852 -0.698 62 HG22 ILE 9 2HG2 ILE 9 -2.728 -6.939 1.026 63 HG23 ILE 9 3HG2 ILE 9 -1.511 -8.040 0.333 64 HD11 ILE 9 3HD1 ILE 9 -2.597 -11.071 0.050 65 HD12 ILE 9 1HD1 ILE 9 -1.622 -10.105 1.170 66 HD13 ILE 9 2HD1 ILE 9 -2.815 -11.275 1.793 67 H LEU 10 H LEU 10 -4.946 -7.859 -2.857 68 HA LEU 10 HA LEU 10 -3.807 -5.336 -3.444 69 HB2 LEU 10 2HB LEU 10 -4.608 -7.627 -4.778 70 HB3 LEU 10 3HB LEU 10 -5.697 -6.445 -5.462 71 HG LEU 10 HG LEU 10 -2.665 -6.090 -5.202 72 HD11 LEU 10 1HD1 LEU 10 -4.181 -7.274 -7.564 73 HD12 LEU 10 2HD1 LEU 10 -2.427 -7.026 -7.400 74 HD13 LEU 10 3HD1 LEU 10 -3.220 -8.220 -6.394 75 HD21 LEU 10 3HD2 LEU 10 -3.373 -4.809 -7.414 76 HD22 LEU 10 1HD2 LEU 10 -4.943 -4.727 -6.613 77 HD23 LEU 10 2HD2 LEU 10 -3.525 -4.022 -5.798 78 H LYS 11 H LYS 11 -7.215 -6.338 -3.285 79 HA LYS 11 HA LYS 11 -8.363 -3.737 -3.766 80 HB2 LYS 11 2HB LYS 11 -9.334 -6.209 -2.227 81 HB3 LYS 11 3HB LYS 11 -10.233 -4.698 -2.214 82 HG2 LYS 11 2HG LYS 11 -11.276 -5.955 -3.821 83 HG3 LYS 11 3HG LYS 11 -10.312 -4.780 -4.727 84 HD2 LYS 11 2HD LYS 11 -8.601 -6.536 -5.116 85 HD3 LYS 11 3HD LYS 11 -9.639 -7.707 -4.244 86 HE2 LYS 11 2HE LYS 11 -10.797 -6.122 -6.489 87 HE3 LYS 11 3HE LYS 11 -9.683 -7.398 -6.946 88 HZ1 LYS 11 3HZ LYS 11 -11.196 -8.964 -5.914 89 HZ2 LYS 11 1HZ LYS 11 -12.108 -7.695 -5.298 90 HZ3 LYS 11 2HZ LYS 11 -12.068 -7.907 -6.877 91 H GLN 12 H GLN 12 -7.254 -5.432 -0.882 92 HA GLN 12 HA GLN 12 -8.321 -3.539 0.985 93 HB2 GLN 12 2HB GLN 12 -7.369 -6.066 1.262 94 HB3 GLN 12 3HB GLN 12 -5.938 -5.190 1.730 95 HG2 GLN 12 2HG GLN 12 -7.055 -5.514 3.754 96 HG3 GLN 12 3HG GLN 12 -7.546 -3.871 3.339 97 HE21 GLN 12 1HE2 GLN 12 -9.385 -5.460 1.121 98 HE22 GLN 12 2HE2 GLN 12 -10.755 -5.840 2.137 99 H VAL 13 H VAL 13 -5.293 -3.647 -0.793 100 HA VAL 13 HA VAL 13 -3.859 -1.732 0.850 101 HB VAL 13 HB VAL 13 -3.469 -3.119 -1.825 102 HG11 VAL 13 1HG1 VAL 13 -1.735 -0.874 -0.719 103 HG12 VAL 13 2HG1 VAL 13 -1.216 -2.026 -1.974 104 HG13 VAL 13 3HG1 VAL 13 -2.572 -0.950 -2.292 105 HG21 VAL 13 3HG2 VAL 13 -1.775 -3.025 0.712 106 HG22 VAL 13 1HG2 VAL 13 -2.910 -4.320 0.284 107 HG23 VAL 13 2HG2 VAL 13 -1.484 -4.040 -0.720 108 H GLU 14 H GLU 14 -5.473 -1.686 -2.404 109 HA GLU 14 HA GLU 14 -5.146 1.135 -2.646 110 HB2 GLU 14 2HB GLU 14 -5.914 0.808 -4.681 111 HB3 GLU 14 3HB GLU 14 -6.012 -0.910 -4.315 112 HG2 GLU 14 2HG GLU 14 -8.388 -0.630 -3.646 113 HG3 GLU 14 3HG GLU 14 -8.287 1.110 -3.992 114 H TYR 15 H TYR 15 -7.539 -0.811 -0.915 115 HA TYR 15 HA TYR 15 -9.659 0.984 -0.830 116 HB2 TYR 15 2HB TYR 15 -10.256 -1.118 -0.164 117 HB3 TYR 15 3HB TYR 15 -8.727 -1.420 0.644 118 HD1 TYR 15 HD2 TYR 15 -11.876 0.564 1.045 119 HD2 TYR 15 HD1 TYR 15 -8.438 -1.246 2.921 120 HE1 TYR 15 HE2 TYR 15 -12.701 1.286 3.251 121 HE2 TYR 15 HE1 TYR 15 -9.239 -0.538 5.107 122 HH TYR 15 HH TYR 15 -11.897 1.771 5.443 123 H TYR 16 H TYR 16 -6.771 0.690 1.323 124 HA TYR 16 HA TYR 16 -7.650 2.706 3.145 125 HB2 TYR 16 2HB TYR 16 -4.905 1.684 2.367 126 HB3 TYR 16 3HB TYR 16 -5.108 2.966 3.544 127 HD1 TYR 16 HD1 TYR 16 -7.593 1.867 5.029 128 HD2 TYR 16 HD2 TYR 16 -3.927 0.036 3.678 129 HE1 TYR 16 HE1 TYR 16 -7.632 0.377 6.947 130 HE2 TYR 16 HE2 TYR 16 -3.942 -1.440 5.651 131 HH TYR 16 HH TYR 16 -4.876 -1.598 7.899 132 H PHE 17 H PHE 17 -6.297 3.092 -0.074 133 HA PHE 17 HA PHE 17 -5.988 5.989 0.343 134 HB2 PHE 17 2HB PHE 17 -5.739 4.272 -2.166 135 HB3 PHE 17 3HB PHE 17 -5.386 5.995 -2.070 136 HD1 PHE 17 1HD PHE 17 -4.329 2.625 -0.920 137 HD2 PHE 17 2HD PHE 17 -3.326 6.819 -1.029 138 HE1 PHE 17 1HE PHE 17 -2.138 2.124 0.110 139 HE2 PHE 17 2HE PHE 17 -1.139 6.329 -0.036 140 HZ PHE 17 HZ PHE 17 -0.556 3.965 0.603 141 H SER 18 H SER 18 -8.284 3.691 -0.971 142 HA SER 18 HA SER 18 -9.751 5.581 -2.535 143 HB2 SER 18 2HB SER 18 -9.361 3.086 -2.975 144 HB3 SER 18 3HB SER 18 -10.472 2.754 -1.636 145 HG SER 18 HG SER 18 -11.524 2.641 -3.615 146 H ASP 19 H ASP 19 -9.964 4.475 0.729 147 HA ASP 19 HA ASP 19 -12.780 5.224 1.095 148 HB2 ASP 19 2HB ASP 19 -11.576 3.216 1.940 149 HB3 ASP 19 3HB ASP 19 -10.568 4.252 2.951 150 H SER 20 H SER 20 -10.949 7.306 0.220 151 HA SER 20 HA SER 20 -9.580 9.024 0.732 152 HB2 SER 20 2HB SER 20 -12.156 9.647 2.208 153 HB3 SER 20 3HB SER 20 -10.910 10.855 1.799 154 HG SER 20 HG SER 20 -12.665 10.556 0.223 155 H ASN 21 H ASN 21 -9.037 6.793 2.615 156 HA ASN 21 HA ASN 21 -8.958 8.152 5.184 157 HB2 ASN 21 2HB ASN 21 -9.711 5.771 4.877 158 HB3 ASN 21 3HB ASN 21 -8.007 5.339 4.640 159 HD21 ASN 21 1HD2 ASN 21 -7.375 4.360 6.605 160 HD22 ASN 21 2HD2 ASN 21 -7.525 5.179 8.143 161 H PHE 22 H PHE 22 -6.605 7.778 2.567 162 HA PHE 22 HA PHE 22 -4.301 7.815 4.217 163 HB2 PHE 22 2HB PHE 22 -3.415 7.541 2.239 164 HB3 PHE 22 3HB PHE 22 -4.915 7.943 1.451 165 HD1 PHE 22 1HD PHE 22 -2.370 10.177 3.243 166 HD2 PHE 22 2HD PHE 22 -4.282 9.025 -0.446 167 HE1 PHE 22 1HE PHE 22 -1.385 12.120 2.109 168 HE2 PHE 22 2HE PHE 22 -3.153 10.903 -1.575 169 HZ PHE 22 HZ PHE 22 -1.758 12.502 -0.305 170 HA PRO 23 HA PRO 23 -4.272 12.456 4.087 171 HB2 PRO 23 2HB PRO 23 -6.674 13.897 3.970 172 HB3 PRO 23 3HB PRO 23 -5.600 13.553 2.575 173 HG2 PRO 23 2HG PRO 23 -8.040 12.011 3.484 174 HG3 PRO 23 3HG PRO 23 -7.627 12.540 1.821 175 HD2 PRO 23 2HD PRO 23 -7.122 10.027 2.602 176 HD3 PRO 23 3HD PRO 23 -5.900 10.905 1.645 177 H ARG 24 H ARG 24 -6.822 10.629 5.588 178 HA ARG 24 HA ARG 24 -7.079 12.306 7.956 179 HB2 ARG 24 2HB ARG 24 -8.865 10.816 6.822 180 HB3 ARG 24 3HB ARG 24 -7.989 9.434 7.480 181 HG2 ARG 24 2HG ARG 24 -8.243 10.670 9.790 182 HG3 ARG 24 3HG ARG 24 -9.477 11.629 8.940 183 HD2 ARG 24 2HD ARG 24 -10.566 9.444 8.252 184 HD3 ARG 24 3HD ARG 24 -9.367 8.599 9.254 185 HE ARG 24 HE ARG 24 -10.755 10.645 10.733 186 HH11 ARG 24 2HH2 ARG 24 -11.039 7.363 9.490 187 HH12 ARG 24 1HH2 ARG 24 -12.212 6.830 10.643 188 HH21 ARG 24 2HH1 ARG 24 -12.331 9.987 12.318 189 HH22 ARG 24 1HH1 ARG 24 -12.960 8.381 12.309 190 H ASP 25 H ASP 25 -5.691 9.064 7.179 191 HA ASP 25 HA ASP 25 -4.851 8.729 9.939 192 HB2 ASP 25 2HB ASP 25 -5.358 6.982 7.671 193 HB3 ASP 25 3HB ASP 25 -3.731 6.676 8.280 194 H LYS 26 H LYS 26 -3.261 10.154 10.411 195 HA LYS 26 HA LYS 26 -1.215 10.824 8.615 196 HB2 LYS 26 2HB LYS 26 -0.031 11.939 10.296 197 HB3 LYS 26 3HB LYS 26 -1.740 12.239 10.551 198 HG2 LYS 26 2HG LYS 26 -0.218 10.104 12.122 199 HG3 LYS 26 3HG LYS 26 -0.205 11.807 12.574 200 HD2 LYS 26 2HD LYS 26 -2.712 11.777 12.677 201 HD3 LYS 26 3HD LYS 26 -2.650 10.007 12.451 202 HE2 LYS 26 2HE LYS 26 -1.231 9.781 14.447 203 HE3 LYS 26 3HE LYS 26 -1.171 11.540 14.635 204 HZ1 LYS 26 3HZ LYS 26 -3.542 11.529 15.027 205 HZ2 LYS 26 1HZ LYS 26 -2.780 10.554 16.109 206 HZ3 LYS 26 2HZ LYS 26 -3.609 9.891 14.852 207 H PHE 27 H PHE 27 -1.518 7.818 10.130 208 HA PHE 27 HA PHE 27 1.232 6.943 10.142 209 HB2 PHE 27 2HB PHE 27 -0.762 5.726 11.100 210 HB3 PHE 27 3HB PHE 27 -1.373 5.476 9.471 211 HD1 PHE 27 2HD PHE 27 1.653 4.932 11.603 212 HD2 PHE 27 1HD PHE 27 -0.691 3.506 8.277 213 HE1 PHE 27 2HE PHE 27 3.087 2.952 11.451 214 HE2 PHE 27 1HE PHE 27 0.724 1.471 8.159 215 HZ PHE 27 HZ PHE 27 2.612 1.176 9.745 216 H LEU 28 H LEU 28 -1.344 6.927 7.642 217 HA LEU 28 HA LEU 28 0.382 5.986 5.484 218 HB2 LEU 28 2HB LEU 28 -2.305 7.384 5.678 219 HB3 LEU 28 3HB LEU 28 -1.447 7.401 4.155 220 HG LEU 28 HG LEU 28 -1.545 4.728 5.400 221 HD11 LEU 28 1HD1 LEU 28 -3.837 4.209 5.095 222 HD12 LEU 28 2HD1 LEU 28 -3.804 5.680 6.063 223 HD13 LEU 28 3HD1 LEU 28 -4.186 5.749 4.322 224 HD21 LEU 28 3HD2 LEU 28 -0.811 4.734 3.163 225 HD22 LEU 28 1HD2 LEU 28 -2.538 4.328 2.939 226 HD23 LEU 28 2HD2 LEU 28 -1.982 5.953 2.654 227 H ARG 29 H ARG 29 -0.915 9.120 6.439 228 HA ARG 29 HA ARG 29 0.246 10.575 4.420 229 HB2 ARG 29 2HB ARG 29 -1.609 11.165 6.199 230 HB3 ARG 29 3HB ARG 29 -0.245 11.902 7.081 231 HG2 ARG 29 2HG ARG 29 0.291 13.283 5.124 232 HG3 ARG 29 3HG ARG 29 -1.005 12.497 4.199 233 HD2 ARG 29 2HD ARG 29 -2.710 13.384 5.660 234 HD3 ARG 29 3HD ARG 29 -1.475 13.989 6.787 235 HE ARG 29 HE ARG 29 -1.245 14.994 4.059 236 HH11 ARG 29 2HH2 ARG 29 -2.854 15.524 7.133 237 HH12 ARG 29 1HH2 ARG 29 -2.744 17.251 7.108 238 HH21 ARG 29 2HH1 ARG 29 -1.145 17.308 3.914 239 HH22 ARG 29 1HH1 ARG 29 -1.807 18.292 5.167 240 H SER 30 H SER 30 1.791 9.690 7.497 241 HA SER 30 HA SER 30 3.953 11.566 7.360 242 HB2 SER 30 2HB SER 30 3.194 9.471 9.113 243 HB3 SER 30 3HB SER 30 4.655 8.856 8.362 244 HG SER 30 HG SER 30 5.093 10.104 10.208 245 H GLU 31 H GLU 31 3.365 8.347 5.921 246 HA GLU 31 HA GLU 31 6.057 8.211 4.862 247 HB2 GLU 31 2HB GLU 31 4.339 6.314 5.513 248 HB3 GLU 31 3HB GLU 31 3.680 6.588 3.900 249 HG2 GLU 31 2HG GLU 31 5.277 4.822 3.745 250 HG3 GLU 31 3HG GLU 31 5.989 6.258 2.969 251 H ALA 32 H ALA 32 2.794 8.893 3.564 252 HA ALA 32 HA ALA 32 3.443 9.300 0.873 253 HB1 ALA 32 1HB ALA 32 1.381 10.797 2.548 254 HB2 ALA 32 2HB ALA 32 1.339 10.566 0.798 255 HB3 ALA 32 3HB ALA 32 1.146 9.168 1.857 256 H ALA 33 H ALA 33 3.791 11.478 3.646 257 HA ALA 33 HA ALA 33 4.257 13.906 2.317 258 HB1 ALA 33 1HB ALA 33 5.241 14.609 4.492 259 HB2 ALA 33 2HB ALA 33 3.701 13.760 4.695 260 HB3 ALA 33 3HB ALA 33 5.225 12.919 5.038 261 H LYS 34 H LYS 34 6.340 11.168 2.039 262 HA LYS 34 HA LYS 34 8.801 12.727 1.989 263 HB2 LYS 34 2HB LYS 34 7.929 9.863 1.411 264 HB3 LYS 34 3HB LYS 34 9.440 10.465 0.783 265 HG2 LYS 34 2HG LYS 34 9.987 9.408 2.835 266 HG3 LYS 34 3HG LYS 34 10.121 11.142 3.109 267 HD2 LYS 34 2HD LYS 34 7.453 10.534 3.810 268 HD3 LYS 34 3HD LYS 34 8.351 9.148 4.389 269 HE2 LYS 34 2HE LYS 34 9.135 12.044 4.940 270 HE3 LYS 34 3HE LYS 34 7.995 11.149 5.959 271 HZ1 LYS 34 3HZ LYS 34 9.684 9.549 6.419 272 HZ2 LYS 34 1HZ LYS 34 10.766 10.292 5.422 273 HZ3 LYS 34 2HZ LYS 34 10.258 11.046 6.798 274 H ASN 35 H ASN 35 6.190 11.814 -0.253 275 HA ASN 35 HA ASN 35 7.237 13.745 -2.147 276 HB2 ASN 35 2HB ASN 35 8.470 11.495 -2.611 277 HB3 ASN 35 3HB ASN 35 6.888 10.944 -3.198 278 HD21 ASN 35 1HD2 ASN 35 9.440 11.345 -4.726 279 HD22 ASN 35 2HD2 ASN 35 9.035 12.557 -5.935 280 H VAL 36 H VAL 36 5.045 14.168 -0.903 281 HA VAL 36 HA VAL 36 2.869 14.671 -1.130 282 HB VAL 36 HB VAL 36 3.605 14.126 -3.997 283 HG11 VAL 36 1HG1 VAL 36 0.792 14.625 -3.026 284 HG12 VAL 36 2HG1 VAL 36 1.372 14.939 -4.685 285 HG13 VAL 36 3HG1 VAL 36 1.403 13.295 -4.055 286 HG21 VAL 36 3HG2 VAL 36 2.557 16.554 -2.502 287 HG22 VAL 36 1HG2 VAL 36 4.267 16.213 -2.856 288 HG23 VAL 36 2HG2 VAL 36 3.132 16.505 -4.182 289 H ASP 37 H ASP 37 2.968 11.822 -3.228 290 HA ASP 37 HA ASP 37 2.072 10.005 -1.191 291 HB2 ASP 37 2HB ASP 37 -0.091 11.228 -1.791 292 HB3 ASP 37 3HB ASP 37 0.039 10.526 -3.402 293 H ASN 38 H ASN 38 4.241 10.315 -3.041 294 HA ASN 38 HA ASN 38 3.823 8.071 -4.929 295 HB2 ASN 38 2HB ASN 38 5.873 10.319 -5.012 296 HB3 ASN 38 3HB ASN 38 5.871 8.931 -6.086 297 HD21 ASN 38 1HD2 ASN 38 4.415 12.040 -5.415 298 HD22 ASN 38 2HD2 ASN 38 3.368 12.009 -6.840 299 H TYR 39 H TYR 39 5.032 8.590 -1.871 300 HA TYR 39 HA TYR 39 7.121 6.507 -2.163 301 HB2 TYR 39 2HB TYR 39 7.371 9.279 -1.061 302 HB3 TYR 39 3HB TYR 39 8.040 7.978 -0.091 303 HD1 TYR 39 HD2 TYR 39 8.032 8.963 -3.748 304 HD2 TYR 39 HD1 TYR 39 10.267 7.446 -0.388 305 HE1 TYR 39 HE2 TYR 39 10.078 8.867 -5.152 306 HE2 TYR 39 HE1 TYR 39 12.305 7.357 -1.773 307 HH TYR 39 HH TYR 39 13.204 7.670 -3.919 308 H ILE 40 H ILE 40 6.296 4.821 -1.090 309 HA ILE 40 HA ILE 40 5.001 5.243 1.508 310 HB ILE 40 HB ILE 40 3.695 3.522 -0.597 311 HG12 ILE 40 2HG1 ILE 40 2.969 6.392 0.125 312 HG13 ILE 40 3HG1 ILE 40 3.583 5.836 -1.435 313 HG21 ILE 40 1HG2 ILE 40 1.836 3.509 0.978 314 HG22 ILE 40 2HG2 ILE 40 3.306 3.062 1.849 315 HG23 ILE 40 3HG2 ILE 40 2.651 4.706 2.011 316 HD11 ILE 40 3HD1 ILE 40 1.494 4.329 -1.572 317 HD12 ILE 40 1HD1 ILE 40 0.911 5.325 -0.211 318 HD13 ILE 40 2HD1 ILE 40 1.286 6.075 -1.764 319 H SER 41 H SER 41 6.818 4.116 2.619 320 HA SER 41 HA SER 41 8.100 1.960 1.302 321 HB2 SER 41 2HB SER 41 9.173 3.239 3.137 322 HB3 SER 41 3HB SER 41 8.011 2.511 4.287 323 HG SER 41 HG SER 41 9.918 1.244 4.191 324 H ILE 42 H ILE 42 7.934 -0.228 1.512 325 HA ILE 42 HA ILE 42 5.379 -1.322 2.262 326 HB ILE 42 HB ILE 42 6.264 -3.461 1.834 327 HG12 ILE 42 2HG1 ILE 42 9.043 -2.687 1.114 328 HG13 ILE 42 3HG1 ILE 42 8.724 -2.652 2.845 329 HG21 ILE 42 1HG2 ILE 42 5.745 -1.902 -0.029 330 HG22 ILE 42 2HG2 ILE 42 7.446 -1.507 -0.177 331 HG23 ILE 42 3HG2 ILE 42 6.906 -3.170 -0.483 332 HD11 ILE 42 3HD1 ILE 42 7.840 -4.950 2.777 333 HD12 ILE 42 1HD1 ILE 42 8.126 -5.018 1.021 334 HD13 ILE 42 2HD1 ILE 42 9.497 -4.882 2.147 335 H ASP 43 H ASP 43 7.984 -0.257 4.236 336 HA ASP 43 HA ASP 43 7.591 -2.099 6.413 337 HB2 ASP 43 2HB ASP 43 8.331 0.868 6.422 338 HB3 ASP 43 3HB ASP 43 8.434 -0.211 7.820 339 H VAL 44 H VAL 44 5.913 0.946 5.408 340 HA VAL 44 HA VAL 44 4.195 1.039 7.711 341 HB VAL 44 HB VAL 44 4.713 2.529 5.188 342 HG11 VAL 44 1HG1 VAL 44 1.916 2.590 6.340 343 HG12 VAL 44 2HG1 VAL 44 2.615 3.782 5.221 344 HG13 VAL 44 3HG1 VAL 44 2.412 2.111 4.692 345 HG21 VAL 44 3HG2 VAL 44 3.819 3.361 7.972 346 HG22 VAL 44 1HG2 VAL 44 5.506 3.212 7.417 347 HG23 VAL 44 2HG2 VAL 44 4.440 4.426 6.701 348 H ILE 45 H ILE 45 3.955 -0.166 4.379 349 HA ILE 45 HA ILE 45 1.160 -0.849 4.641 350 HB ILE 45 HB ILE 45 3.112 -2.030 2.668 351 HG12 ILE 45 2HG1 ILE 45 1.672 0.636 2.195 352 HG13 ILE 45 3HG1 ILE 45 3.335 0.560 2.731 353 HG21 ILE 45 1HG2 ILE 45 1.190 -2.174 1.157 354 HG22 ILE 45 2HG2 ILE 45 0.675 -2.807 2.723 355 HG23 ILE 45 3HG2 ILE 45 0.199 -1.175 2.239 356 HD11 ILE 45 3HD1 ILE 45 3.942 -0.780 0.710 357 HD12 ILE 45 1HD1 ILE 45 2.300 -0.484 0.096 358 HD13 ILE 45 2HD1 ILE 45 3.406 0.866 0.384 359 H ALA 46 H ALA 46 4.151 -2.657 5.118 360 HA ALA 46 HA ALA 46 2.824 -5.175 5.609 361 HB1 ALA 46 1HB ALA 46 5.533 -4.091 6.559 362 HB2 ALA 46 2HB ALA 46 4.983 -5.777 6.723 363 HB3 ALA 46 3HB ALA 46 5.244 -5.081 5.111 364 H SER 47 H SER 47 3.728 -2.307 7.489 365 HA SER 47 HA SER 47 2.912 -3.533 10.020 366 HB2 SER 47 2HB SER 47 4.869 -2.015 9.815 367 HB3 SER 47 3HB SER 47 3.768 -0.681 9.423 368 HG SER 47 HG SER 47 2.742 -1.184 11.493 369 H PHE 48 H PHE 48 1.016 -2.460 7.547 370 HA PHE 48 HA PHE 48 -0.786 -0.713 8.829 371 HB2 PHE 48 2HB PHE 48 -0.629 -2.309 6.369 372 HB3 PHE 48 3HB PHE 48 -2.273 -2.238 6.939 373 HD1 PHE 48 2HD PHE 48 -2.219 0.676 8.033 374 HD2 PHE 48 1HD PHE 48 -0.942 -1.244 4.381 375 HE1 PHE 48 2HE PHE 48 -2.596 2.773 6.784 376 HE2 PHE 48 1HE PHE 48 -1.258 0.889 3.150 377 HZ PHE 48 HZ PHE 48 -2.109 2.852 4.345 378 H ASN 49 H ASN 49 -0.189 -3.605 10.115 379 HA ASN 49 HA ASN 49 -1.170 -5.132 11.368 380 HB2 ASN 49 2HB ASN 49 -1.931 -3.096 12.577 381 HB3 ASN 49 3HB ASN 49 -3.469 -3.168 11.706 382 HD21 ASN 49 1HD2 ASN 49 -4.207 -3.345 14.126 383 HD22 ASN 49 2HD2 ASN 49 -4.258 -4.986 14.749 384 H ARG 50 H ARG 50 -4.163 -3.905 9.858 385 HA ARG 50 HA ARG 50 -5.427 -6.345 9.372 386 HB2 ARG 50 2HB ARG 50 -6.266 -3.916 9.120 387 HB3 ARG 50 3HB ARG 50 -5.461 -3.897 7.546 388 HG2 ARG 50 2HG ARG 50 -6.934 -5.830 6.839 389 HG3 ARG 50 3HG ARG 50 -7.771 -5.669 8.403 390 HD2 ARG 50 2HD ARG 50 -8.018 -3.159 7.768 391 HD3 ARG 50 3HD ARG 50 -7.593 -3.650 6.127 392 HE ARG 50 HE ARG 50 -9.502 -5.205 6.176 393 HH11 ARG 50 2HH2 ARG 50 -9.631 -2.239 8.109 394 HH12 ARG 50 1HH2 ARG 50 -11.347 -2.242 8.266 395 HH21 ARG 50 2HH1 ARG 50 -11.751 -5.261 6.432 396 HH22 ARG 50 1HH1 ARG 50 -12.590 -4.031 7.315 397 H MET 51 H MET 51 -3.078 -4.631 7.347 398 HA MET 51 HA MET 51 -3.302 -6.443 5.123 399 HB2 MET 51 2HB MET 51 -2.150 -3.951 5.456 400 HB3 MET 51 3HB MET 51 -0.721 -4.980 5.480 401 HG2 MET 51 2HG MET 51 -1.308 -4.156 3.213 402 HG3 MET 51 3HG MET 51 -1.311 -5.920 3.320 403 HE1 MET 51 3HE MET 51 -3.656 -2.655 2.906 404 HE2 MET 51 1HE MET 51 -5.222 -3.403 3.281 405 HE3 MET 51 2HE MET 51 -3.984 -3.307 4.532 406 H LYS 52 H LYS 52 -1.061 -6.205 7.974 407 HA LYS 52 HA LYS 52 0.619 -8.306 7.161 408 HB2 LYS 52 2HB LYS 52 0.714 -6.547 9.209 409 HB3 LYS 52 3HB LYS 52 -0.053 -7.887 10.062 410 HG2 LYS 52 2HG LYS 52 1.823 -9.351 8.878 411 HG3 LYS 52 3HG LYS 52 2.641 -7.793 8.655 412 HD2 LYS 52 2HD LYS 52 2.458 -7.413 11.121 413 HD3 LYS 52 3HD LYS 52 1.670 -9.005 11.267 414 HE2 LYS 52 2HE LYS 52 3.843 -9.736 9.815 415 HE3 LYS 52 3HE LYS 52 4.544 -8.333 10.630 416 HZ1 LYS 52 3HZ LYS 52 4.922 -10.322 11.885 417 HZ2 LYS 52 1HZ LYS 52 3.871 -9.384 12.740 418 HZ3 LYS 52 2HZ LYS 52 3.325 -10.701 11.910 419 H THR 53 H THR 53 -2.520 -8.296 8.925 420 HA THR 53 HA THR 53 -2.359 -11.087 9.533 421 HB THR 53 HB THR 53 -4.850 -10.683 10.048 422 HG1 THR 53 1HG THR 53 -5.051 -8.787 8.648 423 HG21 THR 53 1HG2 THR 53 -2.687 -8.852 11.192 424 HG22 THR 53 2HG2 THR 53 -4.216 -9.265 12.002 425 HG23 THR 53 3HG2 THR 53 -3.000 -10.529 11.695 426 H ILE 54 H ILE 54 -3.976 -9.234 6.857 427 HA ILE 54 HA ILE 54 -5.268 -11.634 5.884 428 HB ILE 54 HB ILE 54 -4.630 -9.068 4.395 429 HG12 ILE 54 2HG1 ILE 54 -6.207 -9.112 6.602 430 HG13 ILE 54 3HG1 ILE 54 -6.389 -8.007 5.243 431 HG21 ILE 54 1HG2 ILE 54 -5.164 -10.948 2.886 432 HG22 ILE 54 2HG2 ILE 54 -6.659 -11.246 3.752 433 HG23 ILE 54 3HG2 ILE 54 -6.428 -9.718 2.857 434 HD11 ILE 54 3HD1 ILE 54 -8.514 -8.992 5.989 435 HD12 ILE 54 1HD1 ILE 54 -8.150 -9.384 4.303 436 HD13 ILE 54 2HD1 ILE 54 -7.908 -10.612 5.582 437 H SER 55 H SER 55 -2.108 -10.157 5.398 438 HA SER 55 HA SER 55 -1.397 -11.915 3.136 439 HB2 SER 55 2HB SER 55 0.395 -10.162 4.878 440 HB3 SER 55 3HB SER 55 0.793 -10.871 3.299 441 HG SER 55 HG SER 55 -1.138 -8.878 3.865 442 H THR 56 H THR 56 -0.819 -11.793 6.595 443 HA THR 56 HA THR 56 0.262 -13.115 8.025 444 HB THR 56 HB THR 56 -0.474 -15.171 5.937 445 HG1 THR 56 1HG THR 56 -2.064 -13.929 7.205 446 HG21 THR 56 1HG2 THR 56 -0.211 -16.848 7.780 447 HG22 THR 56 2HG2 THR 56 1.346 -16.172 7.271 448 HG23 THR 56 3HG2 THR 56 0.579 -15.606 8.775 449 H ASP 57 H ASP 57 1.746 -12.749 4.794 450 HA ASP 57 HA ASP 57 4.380 -13.066 6.002 451 HB2 ASP 57 2HB ASP 57 3.635 -15.238 4.963 452 HB3 ASP 57 3HB ASP 57 3.402 -14.387 3.430 453 H LEU 58 H LEU 58 5.794 -11.737 4.985 454 HA LEU 58 HA LEU 58 4.820 -9.317 3.672 455 HB2 LEU 58 2HB LEU 58 7.651 -10.328 4.203 456 HB3 LEU 58 3HB LEU 58 7.266 -8.788 3.445 457 HG LEU 58 HG LEU 58 5.706 -8.700 5.756 458 HD11 LEU 58 1HD1 LEU 58 8.438 -9.871 6.457 459 HD12 LEU 58 2HD1 LEU 58 7.241 -9.244 7.606 460 HD13 LEU 58 3HD1 LEU 58 6.883 -10.703 6.664 461 HD21 LEU 58 3HD2 LEU 58 7.014 -6.853 4.783 462 HD22 LEU 58 1HD2 LEU 58 7.354 -7.026 6.513 463 HD23 LEU 58 2HD2 LEU 58 8.524 -7.624 5.316 464 H GLN 59 H GLN 59 5.823 -12.395 2.594 465 HA GLN 59 HA GLN 59 6.792 -11.823 -0.030 466 HB2 GLN 59 2HB GLN 59 7.049 -14.003 1.106 467 HB3 GLN 59 3HB GLN 59 5.301 -14.209 1.136 468 HG2 GLN 59 2HG GLN 59 5.414 -15.258 -0.841 469 HG3 GLN 59 3HG GLN 59 5.910 -13.753 -1.606 470 HE21 GLN 59 1HE2 GLN 59 8.026 -13.632 -2.477 471 HE22 GLN 59 2HE2 GLN 59 9.185 -14.931 -2.214 472 H LEU 60 H LEU 60 3.516 -12.623 1.272 473 HA LEU 60 HA LEU 60 2.191 -12.232 -1.272 474 HB2 LEU 60 2HB LEU 60 1.472 -12.896 1.540 475 HB3 LEU 60 3HB LEU 60 0.333 -11.780 0.827 476 HG LEU 60 HG LEU 60 -0.379 -14.089 0.553 477 HD11 LEU 60 1HD1 LEU 60 -0.968 -14.033 -1.783 478 HD12 LEU 60 2HD1 LEU 60 -0.976 -12.371 -1.166 479 HD13 LEU 60 3HD1 LEU 60 0.368 -12.941 -2.172 480 HD21 LEU 60 3HD2 LEU 60 2.118 -14.483 -1.152 481 HD22 LEU 60 1HD2 LEU 60 0.814 -15.658 -0.904 482 HD23 LEU 60 2HD2 LEU 60 1.834 -15.169 0.462 483 H ILE 61 H ILE 61 3.089 -10.083 1.387 484 HA ILE 61 HA ILE 61 1.341 -7.974 0.397 485 HB ILE 61 HB ILE 61 2.787 -8.360 2.715 486 HG12 ILE 61 2HG1 ILE 61 0.632 -7.219 2.411 487 HG13 ILE 61 3HG1 ILE 61 1.717 -6.344 3.485 488 HG21 ILE 61 1HG2 ILE 61 4.884 -7.417 1.901 489 HG22 ILE 61 2HG2 ILE 61 4.063 -5.943 1.370 490 HG23 ILE 61 3HG2 ILE 61 4.146 -6.350 3.092 491 HD11 ILE 61 3HD1 ILE 61 2.206 -4.698 1.752 492 HD12 ILE 61 1HD1 ILE 61 1.305 -5.643 0.540 493 HD13 ILE 61 2HD1 ILE 61 0.450 -4.893 1.883 494 H THR 62 H THR 62 4.595 -9.066 -0.251 495 HA THR 62 HA THR 62 5.351 -6.671 -1.760 496 HB THR 62 HB THR 62 6.649 -9.416 -1.536 497 HG1 THR 62 1HG THR 62 6.687 -8.209 0.345 498 HG21 THR 62 1HG2 THR 62 7.691 -6.827 -2.776 499 HG22 THR 62 2HG2 THR 62 8.677 -8.260 -2.418 500 HG23 THR 62 3HG2 THR 62 7.392 -8.358 -3.637 501 H GLU 63 H GLU 63 4.063 -9.933 -2.554 502 HA GLU 63 HA GLU 63 4.242 -9.458 -5.411 503 HB2 GLU 63 2HB GLU 63 3.940 -11.770 -4.310 504 HB3 GLU 63 3HB GLU 63 2.270 -11.295 -3.986 505 HG2 GLU 63 2HG GLU 63 2.507 -10.650 -6.686 506 HG3 GLU 63 3HG GLU 63 3.685 -11.930 -6.590 507 H ALA 64 H ALA 64 1.758 -8.905 -2.928 508 HA ALA 64 HA ALA 64 -0.342 -8.212 -4.706 509 HB1 ALA 64 1HB ALA 64 0.275 -7.024 -1.969 510 HB2 ALA 64 2HB ALA 64 -1.278 -6.922 -2.833 511 HB3 ALA 64 3HB ALA 64 -0.674 -8.501 -2.284 512 H LEU 65 H LEU 65 2.281 -6.183 -3.326 513 HA LEU 65 HA LEU 65 1.421 -3.778 -4.648 514 HB2 LEU 65 2HB LEU 65 4.037 -4.714 -3.416 515 HB3 LEU 65 3HB LEU 65 3.889 -3.144 -4.194 516 HG LEU 65 HG LEU 65 2.082 -4.015 -1.909 517 HD11 LEU 65 1HD1 LEU 65 3.503 -2.665 -0.480 518 HD12 LEU 65 2HD1 LEU 65 4.514 -3.878 -1.273 519 HD13 LEU 65 3HD1 LEU 65 4.530 -2.191 -1.861 520 HD21 LEU 65 3HD2 LEU 65 1.196 -2.137 -3.350 521 HD22 LEU 65 1HD2 LEU 65 1.622 -1.598 -1.730 522 HD23 LEU 65 2HD2 LEU 65 2.724 -1.263 -3.081 523 H LYS 66 H LYS 66 3.592 -6.458 -5.568 524 HA LYS 66 HA LYS 66 4.584 -5.131 -7.927 525 HB2 LYS 66 2HB LYS 66 5.562 -7.194 -6.747 526 HB3 LYS 66 3HB LYS 66 4.342 -8.137 -7.633 527 HG2 LYS 66 2HG LYS 66 5.212 -7.187 -9.775 528 HG3 LYS 66 3HG LYS 66 6.396 -6.232 -8.866 529 HD2 LYS 66 2HD LYS 66 7.483 -8.287 -8.070 530 HD3 LYS 66 3HD LYS 66 6.254 -9.273 -8.909 531 HE2 LYS 66 2HE LYS 66 6.898 -8.206 -11.068 532 HE3 LYS 66 3HE LYS 66 8.141 -7.265 -10.232 533 HZ1 LYS 66 3HZ LYS 66 9.244 -9.320 -9.665 534 HZ2 LYS 66 1HZ LYS 66 9.042 -9.226 -11.294 535 HZ3 LYS 66 2HZ LYS 66 8.071 -10.212 -10.405 536 H LYS 67 H LYS 67 1.604 -6.853 -7.256 537 HA LYS 67 HA LYS 67 0.802 -6.629 -10.122 538 HB2 LYS 67 2HB LYS 67 -0.224 -8.212 -7.733 539 HB3 LYS 67 3HB LYS 67 -1.173 -8.044 -9.214 540 HG2 LYS 67 2HG LYS 67 0.584 -9.066 -10.549 541 HG3 LYS 67 3HG LYS 67 1.613 -9.255 -9.114 542 HD2 LYS 67 2HD LYS 67 0.044 -10.783 -8.093 543 HD3 LYS 67 3HD LYS 67 -1.199 -10.429 -9.308 544 HE2 LYS 67 2HE LYS 67 0.201 -11.430 -11.078 545 HE3 LYS 67 3HE LYS 67 1.474 -11.764 -9.880 546 HZ1 LYS 67 3HZ LYS 67 -1.233 -12.974 -9.901 547 HZ2 LYS 67 1HZ LYS 67 0.161 -13.705 -10.285 548 HZ3 LYS 67 2HZ LYS 67 -0.030 -13.201 -8.738 549 H SER 68 H SER 68 0.904 -4.242 -8.056 550 HA SER 68 HA SER 68 -1.526 -3.724 -7.038 551 HB2 SER 68 2HB SER 68 0.554 -1.842 -8.144 552 HB3 SER 68 3HB SER 68 -0.941 -1.272 -7.362 553 HG SER 68 HG SER 68 1.216 -2.597 -6.281 554 H THR 69 H THR 69 -3.402 -2.702 -7.540 555 HA THR 69 HA THR 69 -4.246 -2.911 -10.305 556 HB THR 69 HB THR 69 -5.569 -3.949 -8.633 557 HG1 THR 69 1HG THR 69 -7.575 -2.945 -9.086 558 HG21 THR 69 1HG2 THR 69 -6.372 -1.322 -7.362 559 HG22 THR 69 2HG2 THR 69 -6.744 -2.958 -6.827 560 HG23 THR 69 3HG2 THR 69 -5.113 -2.348 -6.640 561 H ARG 70 H ARG 70 -4.794 -0.255 -7.875 562 HA ARG 70 HA ARG 70 -4.330 1.649 -10.133 563 HB2 ARG 70 2HB ARG 70 -6.029 1.943 -7.625 564 HB3 ARG 70 3HB ARG 70 -5.683 3.245 -8.785 565 HG2 ARG 70 3HG ARG 70 -6.473 1.659 -10.630 566 HG3 ARG 70 2HG ARG 70 -7.128 0.627 -9.341 567 HD2 ARG 70 2HD ARG 70 -8.521 2.442 -8.556 568 HD3 ARG 70 3HD ARG 70 -7.760 3.583 -9.645 569 HE ARG 70 HE ARG 70 -9.252 1.192 -10.593 570 HH11 ARG 70 2HH2 ARG 70 -8.725 4.682 -10.873 571 HH12 ARG 70 1HH2 ARG 70 -9.468 4.828 -12.423 572 HH21 ARG 70 2HH1 ARG 70 -10.211 1.357 -12.666 573 HH22 ARG 70 1HH1 ARG 70 -10.364 2.883 -13.456 574 H LEU 71 H LEU 71 -2.344 0.334 -8.139 575 HA LEU 71 HA LEU 71 -1.033 2.895 -7.735 576 HB2 LEU 71 2HB LEU 71 -0.144 0.767 -5.901 577 HB3 LEU 71 3HB LEU 71 -0.359 2.491 -5.687 578 HG LEU 71 HG LEU 71 -2.512 0.380 -5.396 579 HD11 LEU 71 1HD1 LEU 71 -2.388 1.124 -3.002 580 HD12 LEU 71 2HD1 LEU 71 -0.884 0.375 -3.581 581 HD13 LEU 71 3HD1 LEU 71 -1.002 2.142 -3.413 582 HD21 LEU 71 3HD2 LEU 71 -3.309 2.846 -4.190 583 HD22 LEU 71 1HD2 LEU 71 -2.785 3.234 -5.830 584 HD23 LEU 71 2HD2 LEU 71 -4.049 2.026 -5.573 585 H GLN 72 H GLN 72 1.390 2.515 -7.841 586 HA GLN 72 HA GLN 72 2.136 0.140 -9.474 587 HB2 GLN 72 2HB GLN 72 2.538 3.085 -10.092 588 HB3 GLN 72 3HB GLN 72 3.739 1.889 -10.610 589 HG2 GLN 72 2HG GLN 72 1.988 0.626 -11.805 590 HG3 GLN 72 3HG GLN 72 0.786 1.848 -11.349 591 HE21 GLN 72 1HE2 GLN 72 1.447 1.166 -14.082 592 HE22 GLN 72 2HE2 GLN 72 2.200 2.587 -14.787 593 H VAL 73 H VAL 73 3.761 -0.844 -8.415 594 HA VAL 73 HA VAL 73 5.170 0.595 -6.279 595 HB VAL 73 HB VAL 73 4.174 -1.708 -5.993 596 HG11 VAL 73 1HG1 VAL 73 6.586 -2.601 -7.635 597 HG12 VAL 73 2HG1 VAL 73 5.501 -3.634 -6.707 598 HG13 VAL 73 3HG1 VAL 73 4.880 -2.751 -8.121 599 HG21 VAL 73 3HG2 VAL 73 5.742 -0.906 -4.366 600 HG22 VAL 73 1HG2 VAL 73 6.163 -2.582 -4.724 601 HG23 VAL 73 2HG2 VAL 73 7.119 -1.263 -5.431 602 H SER 74 H SER 74 7.326 1.062 -6.395 603 HA SER 74 HA SER 74 8.621 1.215 -8.979 604 HB2 SER 74 2HB SER 74 9.063 2.829 -7.137 605 HB3 SER 74 3HB SER 74 9.772 1.513 -6.173 606 HG SER 74 HG SER 74 11.303 2.798 -7.407 607 H GLU 75 H GLU 75 10.702 0.200 -9.399 608 HA GLU 75 HA GLU 75 10.620 -2.662 -9.208 609 HB2 GLU 75 2HB GLU 75 12.778 -0.658 -9.967 610 HB3 GLU 75 3HB GLU 75 12.980 -2.412 -10.129 611 HG2 GLU 75 2HG GLU 75 11.265 -2.596 -11.763 612 HG3 GLU 75 3HG GLU 75 10.598 -1.006 -11.394 613 H ASP 76 H ASP 76 11.761 -0.143 -7.021 614 HA ASP 76 HA ASP 76 13.679 -1.849 -5.653 615 HB2 ASP 76 2HB ASP 76 13.621 0.731 -5.741 616 HB3 ASP 76 3HB ASP 76 12.321 0.634 -4.545 617 H GLY 77 H GLY 77 10.210 -1.562 -5.673 618 HA2 GLY 77 2HA GLY 77 8.560 -2.474 -4.306 619 HA3 GLY 77 3HA GLY 77 9.791 -3.632 -3.780 620 H LYS 78 H LYS 78 10.344 -0.225 -3.297 621 HA LYS 78 HA LYS 78 9.327 -0.323 -0.492 622 HB2 LYS 78 2HB LYS 78 12.000 0.511 -1.571 623 HB3 LYS 78 3HB LYS 78 11.393 1.238 -0.078 624 HG2 LYS 78 2HG LYS 78 11.334 -0.773 1.093 625 HG3 LYS 78 3HG LYS 78 11.327 -1.769 -0.373 626 HD2 LYS 78 2HD LYS 78 13.604 -1.229 -0.886 627 HD3 LYS 78 3HD LYS 78 13.702 -0.078 0.476 628 HE2 LYS 78 2HE LYS 78 13.385 -1.829 2.094 629 HE3 LYS 78 3HE LYS 78 12.894 -2.985 0.844 630 HZ1 LYS 78 3HZ LYS 78 15.593 -1.823 1.078 631 HZ2 LYS 78 1HZ LYS 78 15.169 -3.346 1.556 632 HZ3 LYS 78 2HZ LYS 78 15.107 -2.926 -0.040 633 H MET 79 H MET 79 8.658 0.982 -3.421 634 HA MET 79 HA MET 79 7.206 2.953 -1.898 635 HB2 MET 79 2HB MET 79 8.394 3.826 -4.593 636 HB3 MET 79 3HB MET 79 7.494 4.803 -3.450 637 HG2 MET 79 2HG MET 79 9.656 5.575 -3.199 638 HG3 MET 79 3HG MET 79 9.522 4.446 -1.859 639 HE1 MET 79 3HE MET 79 13.143 3.565 -2.473 640 HE2 MET 79 1HE MET 79 12.169 4.952 -1.920 641 HE3 MET 79 2HE MET 79 11.793 3.313 -1.344 642 H VAL 80 H VAL 80 5.254 3.588 -2.938 643 HA VAL 80 HA VAL 80 4.670 2.388 -5.489 644 HB VAL 80 HB VAL 80 3.951 0.574 -4.111 645 HG11 VAL 80 1HG1 VAL 80 2.403 0.858 -2.168 646 HG12 VAL 80 2HG1 VAL 80 3.995 1.571 -1.890 647 HG13 VAL 80 3HG1 VAL 80 2.603 2.603 -2.312 648 HG21 VAL 80 3HG2 VAL 80 2.263 1.287 -5.783 649 HG22 VAL 80 1HG2 VAL 80 1.556 0.495 -4.370 650 HG23 VAL 80 2HG2 VAL 80 1.475 2.263 -4.515 651 H ARG 81 H ARG 81 3.014 3.625 -6.533 652 HA ARG 81 HA ARG 81 2.140 6.018 -4.959 653 HB2 ARG 81 2HB ARG 81 2.435 7.543 -6.684 654 HB3 ARG 81 3HB ARG 81 3.987 6.725 -6.487 655 HG2 ARG 81 2HG ARG 81 2.032 6.029 -8.726 656 HG3 ARG 81 3HG ARG 81 3.247 7.301 -8.826 657 HD2 ARG 81 2HD ARG 81 4.949 5.523 -8.089 658 HD3 ARG 81 3HD ARG 81 3.712 4.336 -8.530 659 HE ARG 81 HE ARG 81 3.680 5.563 -10.783 660 HH11 ARG 81 2HH2 ARG 81 6.583 4.921 -8.885 661 HH12 ARG 81 1HH2 ARG 81 7.699 5.245 -10.165 662 HH21 ARG 81 2HH1 ARG 81 5.137 6.016 -12.508 663 HH22 ARG 81 1HH1 ARG 81 6.846 5.880 -12.288 664 H ARG 82 H ARG 82 0.072 6.791 -5.467 665 HA ARG 82 HA ARG 82 -1.576 4.760 -6.892 666 HB2 ARG 82 2HB ARG 82 -3.483 5.628 -5.618 667 HB3 ARG 82 3HB ARG 82 -2.173 5.069 -4.593 668 HG2 ARG 82 2HG ARG 82 -2.928 6.936 -3.531 669 HG3 ARG 82 3HG ARG 82 -1.448 7.489 -4.306 670 HD2 ARG 82 2HD ARG 82 -2.645 8.805 -5.879 671 HD3 ARG 82 3HD ARG 82 -4.144 7.872 -5.636 672 HE ARG 82 HE ARG 82 -3.182 9.178 -3.249 673 HH11 ARG 82 2HH2 ARG 82 -4.879 9.900 -6.255 674 HH12 ARG 82 1HH2 ARG 82 -6.001 11.020 -5.617 675 HH21 ARG 82 2HH1 ARG 82 -4.900 10.490 -2.250 676 HH22 ARG 82 1HH1 ARG 82 -5.971 11.402 -3.253 677 H LEU 83 H LEU 83 -3.750 6.114 -7.705 678 HA LEU 83 HA LEU 83 -2.607 7.441 -10.037 679 HB2 LEU 83 2HB LEU 83 -5.428 6.747 -9.097 680 HB3 LEU 83 3HB LEU 83 -5.149 7.630 -10.581 681 HG LEU 83 HG LEU 83 -4.128 4.826 -10.053 682 HD11 LEU 83 1HD1 LEU 83 -6.618 5.200 -10.270 683 HD12 LEU 83 2HD1 LEU 83 -6.333 5.814 -11.906 684 HD13 LEU 83 3HD1 LEU 83 -5.918 4.127 -11.512 685 HD21 LEU 83 3HD2 LEU 83 -3.706 4.849 -12.529 686 HD22 LEU 83 1HD2 LEU 83 -4.058 6.591 -12.544 687 HD23 LEU 83 2HD2 LEU 83 -2.655 5.963 -11.648 688 H ASP 84 H ASP 84 -2.979 9.612 -10.686 689 HA ASP 84 HA ASP 84 -3.531 11.678 -8.896 690 HB2 ASP 84 2HB ASP 84 -3.794 11.417 -11.905 691 HB3 ASP 84 3HB ASP 84 -4.214 12.913 -11.058 692 HA PRO 85 HA PRO 85 -8.138 11.747 -10.109 693 HB2 PRO 85 2HB PRO 85 -9.288 9.578 -11.381 694 HB3 PRO 85 3HB PRO 85 -8.594 10.987 -12.245 695 HG2 PRO 85 2HG PRO 85 -7.237 8.346 -11.615 696 HG3 PRO 85 3HG PRO 85 -7.334 9.184 -13.200 697 HD2 PRO 85 2HD PRO 85 -5.144 9.486 -11.690 698 HD3 PRO 85 3HD PRO 85 -5.875 10.917 -12.466 699 H LEU 86 H LEU 86 -9.631 11.198 -8.571 700 HA LEU 86 HA LEU 86 -8.903 9.388 -6.519 701 HB2 LEU 86 2HB LEU 86 -11.046 9.818 -5.546 702 HB3 LEU 86 3HB LEU 86 -10.402 11.332 -6.147 703 HG LEU 86 HG LEU 86 -12.454 9.707 -7.737 704 HD11 LEU 86 1HD1 LEU 86 -13.363 10.081 -5.507 705 HD12 LEU 86 2HD1 LEU 86 -12.978 11.818 -5.617 706 HD13 LEU 86 3HD1 LEU 86 -14.189 11.087 -6.700 707 HD21 LEU 86 3HD2 LEU 86 -11.483 11.488 -9.074 708 HD22 LEU 86 1HD2 LEU 86 -11.636 12.651 -7.723 709 HD23 LEU 86 2HD2 LEU 86 -13.070 12.019 -8.552 710 HA PRO 87 HA PRO 87 -10.573 5.614 -8.218 711 HB2 PRO 87 2HB PRO 87 -10.871 4.089 -5.974 712 HB3 PRO 87 3HB PRO 87 -9.258 4.530 -6.617 713 HG2 PRO 87 2HG PRO 87 -10.786 5.841 -4.352 714 HG3 PRO 87 3HG PRO 87 -9.053 5.359 -4.424 715 HD2 PRO 87 2HD PRO 87 -9.958 7.925 -4.917 716 HD3 PRO 87 3HD PRO 87 -8.484 7.249 -5.675 717 H GLU 88 H GLU 88 -12.666 4.731 -8.546 718 HA GLU 88 HA GLU 88 -14.886 5.776 -6.873 719 HB2 GLU 88 2HB GLU 88 -14.706 7.140 -8.895 720 HB3 GLU 88 3HB GLU 88 -14.652 5.691 -9.911 721 HG2 GLU 88 2HG GLU 88 -16.953 5.087 -9.177 722 HG3 GLU 88 3HG GLU 88 -16.978 6.490 -8.103 723 H ASN 89 H ASN 89 -15.336 3.856 -5.837 724 HA ASN 89 HA ASN 89 -15.800 1.662 -5.463 725 HB2 ASN 89 2HB ASN 89 -17.144 1.821 -8.193 726 HB3 ASN 89 3HB ASN 89 -17.494 0.656 -6.923 727 HD21 ASN 89 1HD2 ASN 89 -18.533 3.584 -8.276 728 HD22 ASN 89 2HD2 ASN 89 -19.488 4.129 -6.904 729 H ILE 90 H ILE 90 -13.245 1.818 -6.299 730 HA ILE 90 HA ILE 90 -13.003 -0.082 -8.515 731 HB ILE 90 HB ILE 90 -10.886 1.168 -6.749 732 HG12 ILE 90 2HG1 ILE 90 -12.115 2.926 -7.829 733 HG13 ILE 90 3HG1 ILE 90 -10.552 2.819 -8.564 734 HG21 ILE 90 1HG2 ILE 90 -10.112 -0.873 -7.944 735 HG22 ILE 90 2HG2 ILE 90 -9.337 0.511 -8.605 736 HG23 ILE 90 3HG2 ILE 90 -10.700 -0.242 -9.483 737 HD11 ILE 90 3HD1 ILE 90 -12.240 3.172 -10.284 738 HD12 ILE 90 1HD1 ILE 90 -11.577 1.542 -10.495 739 HD13 ILE 90 2HD1 ILE 90 -13.156 1.755 -9.746 740 H ASP 91 H ASP 91 -12.182 -2.120 -8.360 741 HA ASP 91 HA ASP 91 -11.253 -3.307 -5.949 742 HB2 ASP 91 2HB ASP 91 -13.526 -3.694 -5.455 743 HB3 ASP 91 3HB ASP 91 -14.001 -3.823 -7.145 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -6.763 -18.829 -1.339 2 H2 MET 1 H2 MET 1 -6.934 -20.474 -1.330 3 H3 MET 1 H3 MET 1 -5.671 -19.751 -0.542 4 HA MET 1 HA MET 1 -4.841 -20.687 -2.554 5 HB2 MET 1 2HB MET 1 -7.251 -19.271 -3.667 6 HB3 MET 1 3HB MET 1 -5.794 -19.309 -4.665 7 HG2 MET 1 2HG MET 1 -7.253 -21.193 -5.164 8 HG3 MET 1 3HG MET 1 -5.688 -21.723 -4.551 9 HE1 MET 1 1HE MET 1 -5.789 -23.886 -3.538 10 HE2 MET 1 2HE MET 1 -5.322 -22.895 -2.135 11 HE3 MET 1 3HE MET 1 -6.538 -24.178 -1.954 12 H SER 2 H SER 2 -3.114 -19.552 -3.781 13 HA SER 2 HA SER 2 -2.070 -17.326 -2.527 14 HB2 SER 2 2HB SER 2 -1.618 -18.134 -5.424 15 HB3 SER 2 3HB SER 2 -0.483 -17.328 -4.316 16 HG SER 2 HG SER 2 0.021 -19.474 -4.255 17 H GLU 3 H GLU 3 -3.752 -17.362 -5.780 18 HA GLU 3 HA GLU 3 -3.687 -14.500 -5.835 19 HB2 GLU 3 2HB GLU 3 -4.435 -16.635 -7.658 20 HB3 GLU 3 3HB GLU 3 -5.697 -15.384 -7.648 21 HG2 GLU 3 2HG GLU 3 -3.942 -13.629 -7.906 22 HG3 GLU 3 3HG GLU 3 -2.704 -14.890 -7.985 23 H GLU 4 H GLU 4 -6.063 -16.683 -4.441 24 HA GLU 4 HA GLU 4 -8.179 -14.736 -4.201 25 HB2 GLU 4 2HB GLU 4 -7.318 -17.191 -2.650 26 HB3 GLU 4 3HB GLU 4 -8.509 -16.122 -1.927 27 HG2 GLU 4 2HG GLU 4 -8.871 -17.182 -4.750 28 HG3 GLU 4 3HG GLU 4 -9.355 -18.113 -3.325 29 H THR 5 H THR 5 -5.510 -15.603 -1.939 30 HA THR 5 HA THR 5 -6.147 -13.545 -0.077 31 HB THR 5 HB THR 5 -3.415 -14.730 -0.616 32 HG1 THR 5 1HG THR 5 -4.562 -16.497 -0.348 33 HG21 THR 5 1HG2 THR 5 -4.758 -13.721 1.932 34 HG22 THR 5 2HG2 THR 5 -3.158 -14.485 1.858 35 HG23 THR 5 3HG2 THR 5 -3.427 -12.923 1.065 36 H SER 6 H SER 6 -3.849 -13.672 -2.808 37 HA SER 6 HA SER 6 -2.637 -11.169 -2.318 38 HB2 SER 6 2HB SER 6 -1.799 -13.048 -3.851 39 HB3 SER 6 3HB SER 6 -2.963 -12.458 -5.053 40 HG SER 6 HG SER 6 -1.890 -10.326 -4.652 41 H THR 7 H THR 7 -5.527 -12.069 -4.199 42 HA THR 7 HA THR 7 -5.926 -9.368 -5.178 43 HB THR 7 HB THR 7 -7.747 -11.808 -5.173 44 HG1 THR 7 1HG THR 7 -6.169 -12.222 -6.530 45 HG21 THR 7 1HG2 THR 7 -8.957 -10.614 -7.002 46 HG22 THR 7 2HG2 THR 7 -9.145 -9.822 -5.430 47 HG23 THR 7 3HG2 THR 7 -8.019 -9.148 -6.638 48 H GLN 8 H GLN 8 -7.063 -11.208 -2.391 49 HA GLN 8 HA GLN 8 -9.117 -9.324 -1.574 50 HB2 GLN 8 2HB GLN 8 -7.393 -11.425 -0.189 51 HB3 GLN 8 3HB GLN 8 -8.470 -10.405 0.737 52 HG2 GLN 8 2HG GLN 8 -9.425 -12.071 -1.641 53 HG3 GLN 8 3HG GLN 8 -9.352 -12.708 0.006 54 HE21 GLN 8 1HE2 GLN 8 -11.779 -12.947 -0.786 55 HE22 GLN 8 2HE2 GLN 8 -12.801 -11.625 -0.228 56 H ILE 9 H ILE 9 -5.611 -9.608 -1.196 57 HA ILE 9 HA ILE 9 -5.659 -7.439 0.757 58 HB ILE 9 HB ILE 9 -4.066 -9.514 0.659 59 HG12 ILE 9 2HG1 ILE 9 -3.213 -6.682 1.415 60 HG13 ILE 9 3HG1 ILE 9 -4.271 -7.709 2.389 61 HG21 ILE 9 1HG2 ILE 9 -2.987 -8.818 -1.530 62 HG22 ILE 9 2HG2 ILE 9 -2.275 -7.454 -0.637 63 HG23 ILE 9 3HG2 ILE 9 -1.881 -9.136 -0.210 64 HD11 ILE 9 3HD1 ILE 9 -2.459 -9.387 2.545 65 HD12 ILE 9 1HD1 ILE 9 -1.347 -8.240 1.739 66 HD13 ILE 9 2HD1 ILE 9 -2.054 -7.827 3.301 67 H LEU 10 H LEU 10 -4.895 -7.980 -2.606 68 HA LEU 10 HA LEU 10 -3.799 -5.496 -3.308 69 HB2 LEU 10 2HB LEU 10 -4.814 -7.700 -4.734 70 HB3 LEU 10 3HB LEU 10 -5.865 -6.437 -5.237 71 HG LEU 10 HG LEU 10 -3.301 -5.254 -5.350 72 HD11 LEU 10 1HD1 LEU 10 -1.913 -6.892 -6.503 73 HD12 LEU 10 2HD1 LEU 10 -2.373 -7.550 -4.922 74 HD13 LEU 10 3HD1 LEU 10 -3.183 -8.125 -6.398 75 HD21 LEU 10 3HD2 LEU 10 -4.688 -6.708 -7.631 76 HD22 LEU 10 1HD2 LEU 10 -5.252 -5.172 -6.953 77 HD23 LEU 10 2HD2 LEU 10 -3.653 -5.265 -7.694 78 H LYS 11 H LYS 11 -7.260 -6.420 -3.248 79 HA LYS 11 HA LYS 11 -8.127 -3.702 -3.714 80 HB2 LYS 11 2HB LYS 11 -9.517 -6.275 -2.971 81 HB3 LYS 11 3HB LYS 11 -10.406 -4.734 -3.006 82 HG2 LYS 11 2HG LYS 11 -10.215 -4.473 -5.284 83 HG3 LYS 11 3HG LYS 11 -8.624 -5.226 -5.359 84 HD2 LYS 11 2HD LYS 11 -10.185 -6.585 -6.552 85 HD3 LYS 11 3HD LYS 11 -9.615 -7.456 -5.116 86 HE2 LYS 11 2HE LYS 11 -11.694 -6.872 -3.917 87 HE3 LYS 11 3HE LYS 11 -12.237 -5.912 -5.307 88 HZ1 LYS 11 3HZ LYS 11 -13.247 -8.066 -5.359 89 HZ2 LYS 11 1HZ LYS 11 -12.192 -7.954 -6.617 90 HZ3 LYS 11 2HZ LYS 11 -11.788 -8.830 -5.283 91 H GLN 12 H GLN 12 -7.077 -5.323 -0.900 92 HA GLN 12 HA GLN 12 -8.256 -3.293 0.886 93 HB2 GLN 12 2HB GLN 12 -6.376 -5.571 1.363 94 HB3 GLN 12 3HB GLN 12 -6.735 -4.378 2.607 95 HG2 GLN 12 2HG GLN 12 -9.117 -5.503 1.169 96 HG3 GLN 12 3HG GLN 12 -8.214 -6.643 2.149 97 HE21 GLN 12 1HE2 GLN 12 -10.071 -6.821 3.574 98 HE22 GLN 12 2HE2 GLN 12 -10.398 -5.550 4.740 99 H VAL 13 H VAL 13 -5.288 -3.676 -0.994 100 HA VAL 13 HA VAL 13 -3.745 -1.687 0.465 101 HB VAL 13 HB VAL 13 -3.476 -3.236 -2.124 102 HG11 VAL 13 1HG1 VAL 13 -2.638 -1.099 -2.807 103 HG12 VAL 13 2HG1 VAL 13 -1.737 -0.888 -1.279 104 HG13 VAL 13 3HG1 VAL 13 -1.244 -2.122 -2.463 105 HG21 VAL 13 3HG2 VAL 13 -2.773 -4.305 -0.018 106 HG22 VAL 13 1HG2 VAL 13 -1.404 -4.037 -1.098 107 HG23 VAL 13 2HG2 VAL 13 -1.654 -2.957 0.291 108 H GLU 14 H GLU 14 -5.537 -1.836 -2.672 109 HA GLU 14 HA GLU 14 -5.255 0.913 -3.187 110 HB2 GLU 14 2HB GLU 14 -6.830 0.636 -4.905 111 HB3 GLU 14 3HB GLU 14 -6.157 -0.996 -4.733 112 HG2 GLU 14 2HG GLU 14 -8.090 -1.444 -3.125 113 HG3 GLU 14 3HG GLU 14 -8.791 0.110 -3.626 114 H TYR 15 H TYR 15 -7.584 -0.861 -1.140 115 HA TYR 15 HA TYR 15 -9.542 1.087 -0.906 116 HB2 TYR 15 2HB TYR 15 -10.193 -1.002 -0.227 117 HB3 TYR 15 3HB TYR 15 -8.650 -1.335 0.552 118 HD1 TYR 15 HD1 TYR 15 -8.132 -0.768 2.780 119 HD2 TYR 15 HD2 TYR 15 -11.899 0.361 1.005 120 HE1 TYR 15 HE1 TYR 15 -8.853 0.117 4.925 121 HE2 TYR 15 HE2 TYR 15 -12.681 1.196 3.181 122 HH TYR 15 HH TYR 15 -11.789 2.061 5.215 123 H TYR 16 H TYR 16 -6.518 0.607 1.020 124 HA TYR 16 HA TYR 16 -7.154 2.715 2.849 125 HB2 TYR 16 2HB TYR 16 -4.551 1.465 1.943 126 HB3 TYR 16 3HB TYR 16 -4.585 2.829 3.038 127 HD1 TYR 16 HD1 TYR 16 -6.259 2.576 5.096 128 HD2 TYR 16 HD2 TYR 16 -4.504 -0.691 2.899 129 HE1 TYR 16 HE1 TYR 16 -6.328 1.184 7.117 130 HE2 TYR 16 HE2 TYR 16 -4.542 -2.092 4.950 131 HH TYR 16 HH TYR 16 -4.458 -1.540 7.572 132 H PHE 17 H PHE 17 -5.942 2.874 -0.457 133 HA PHE 17 HA PHE 17 -5.661 5.823 -0.234 134 HB2 PHE 17 2HB PHE 17 -4.796 3.866 -2.390 135 HB3 PHE 17 3HB PHE 17 -4.519 5.606 -2.439 136 HD1 PHE 17 2HD PHE 17 -3.013 6.717 -0.760 137 HD2 PHE 17 1HD PHE 17 -3.383 2.426 -1.057 138 HE1 PHE 17 2HE PHE 17 -0.984 6.450 0.598 139 HE2 PHE 17 1HE PHE 17 -1.324 2.155 0.296 140 HZ PHE 17 HZ PHE 17 -0.138 4.167 1.152 141 H SER 18 H SER 18 -8.108 3.741 -0.895 142 HA SER 18 HA SER 18 -9.259 5.347 -3.097 143 HB2 SER 18 2HB SER 18 -8.802 2.881 -3.391 144 HB3 SER 18 3HB SER 18 -10.089 2.582 -2.203 145 HG SER 18 HG SER 18 -10.840 2.481 -4.325 146 H ASP 19 H ASP 19 -9.751 4.248 0.210 147 HA ASP 19 HA ASP 19 -12.532 5.027 0.476 148 HB2 ASP 19 2HB ASP 19 -11.315 3.050 1.520 149 HB3 ASP 19 3HB ASP 19 -10.433 4.195 2.535 150 H SER 20 H SER 20 -10.235 7.028 -0.130 151 HA SER 20 HA SER 20 -9.150 8.853 0.652 152 HB2 SER 20 2HB SER 20 -11.475 9.599 0.115 153 HB3 SER 20 3HB SER 20 -11.868 9.483 1.844 154 HG SER 20 HG SER 20 -10.222 10.971 2.245 155 H ASN 21 H ASN 21 -8.942 6.519 2.537 156 HA ASN 21 HA ASN 21 -8.917 7.847 5.141 157 HB2 ASN 21 2HB ASN 21 -8.582 5.061 4.199 158 HB3 ASN 21 3HB ASN 21 -7.459 5.514 5.484 159 HD21 ASN 21 1HD2 ASN 21 -9.527 3.555 5.852 160 HD22 ASN 21 2HD2 ASN 21 -10.648 4.245 7.004 161 H PHE 22 H PHE 22 -6.453 7.248 2.560 162 HA PHE 22 HA PHE 22 -4.242 7.556 4.215 163 HB2 PHE 22 2HB PHE 22 -3.314 7.147 2.245 164 HB3 PHE 22 3HB PHE 22 -4.768 7.618 1.383 165 HD1 PHE 22 1HD PHE 22 -1.751 9.160 3.065 166 HD2 PHE 22 2HD PHE 22 -4.728 9.445 -0.025 167 HE1 PHE 22 1HE PHE 22 -0.730 11.262 2.274 168 HE2 PHE 22 2HE PHE 22 -3.768 11.581 -0.757 169 HZ PHE 22 HZ PHE 22 -1.734 12.510 0.376 170 HA PRO 23 HA PRO 23 -4.245 12.201 3.815 171 HB2 PRO 23 2HB PRO 23 -6.542 13.659 3.336 172 HB3 PRO 23 3HB PRO 23 -5.453 13.059 2.033 173 HG2 PRO 23 2HG PRO 23 -8.021 11.843 3.073 174 HG3 PRO 23 3HG PRO 23 -7.507 12.060 1.369 175 HD2 PRO 23 2HD PRO 23 -7.233 9.711 2.725 176 HD3 PRO 23 3HD PRO 23 -6.088 10.211 1.475 177 H ARG 24 H ARG 24 -6.750 10.363 5.331 178 HA ARG 24 HA ARG 24 -7.238 12.351 7.463 179 HB2 ARG 24 2HB ARG 24 -9.088 11.070 6.259 180 HB3 ARG 24 3HB ARG 24 -8.435 9.580 6.941 181 HG2 ARG 24 2HG ARG 24 -8.785 11.562 9.046 182 HG3 ARG 24 3HG ARG 24 -10.272 11.422 8.106 183 HD2 ARG 24 2HD ARG 24 -10.374 9.035 8.449 184 HD3 ARG 24 3HD ARG 24 -8.770 9.006 9.210 185 HE ARG 24 HE ARG 24 -9.913 10.670 10.867 186 HH11 ARG 24 2HH2 ARG 24 -11.222 7.661 9.573 187 HH12 ARG 24 1HH2 ARG 24 -12.301 7.360 10.890 188 HH21 ARG 24 2HH1 ARG 24 -11.293 10.281 12.676 189 HH22 ARG 24 1HH1 ARG 24 -12.300 8.882 12.731 190 H ASP 25 H ASP 25 -5.450 9.407 6.785 191 HA ASP 25 HA ASP 25 -5.144 8.814 9.657 192 HB2 ASP 25 2HB ASP 25 -4.680 7.379 7.067 193 HB3 ASP 25 3HB ASP 25 -4.025 6.750 8.595 194 H LYS 26 H LYS 26 -3.632 10.120 10.399 195 HA LYS 26 HA LYS 26 -1.375 11.177 9.255 196 HB2 LYS 26 2HB LYS 26 -2.400 11.394 11.664 197 HB3 LYS 26 3HB LYS 26 -1.189 10.191 12.102 198 HG2 LYS 26 2HG LYS 26 -0.719 12.936 10.853 199 HG3 LYS 26 3HG LYS 26 -0.457 12.488 12.542 200 HD2 LYS 26 2HD LYS 26 1.242 10.734 11.530 201 HD3 LYS 26 3HD LYS 26 1.172 11.810 10.107 202 HE2 LYS 26 2HE LYS 26 1.560 13.685 11.976 203 HE3 LYS 26 3HE LYS 26 2.236 12.314 12.871 204 HZ1 LYS 26 3HZ LYS 26 3.104 13.314 10.234 205 HZ2 LYS 26 1HZ LYS 26 3.971 13.334 11.635 206 HZ3 LYS 26 2HZ LYS 26 3.641 11.910 10.872 207 H PHE 27 H PHE 27 -1.738 7.831 10.224 208 HA PHE 27 HA PHE 27 0.984 6.975 10.236 209 HB2 PHE 27 2HB PHE 27 -1.071 5.712 10.974 210 HB3 PHE 27 3HB PHE 27 -1.541 5.527 9.293 211 HD1 PHE 27 1HD PHE 27 1.480 5.005 11.476 212 HD2 PHE 27 2HD PHE 27 -0.939 3.472 8.247 213 HE1 PHE 27 1HE PHE 27 2.908 3.013 11.358 214 HE2 PHE 27 2HE PHE 27 0.482 1.442 8.157 215 HZ PHE 27 HZ PHE 27 2.402 1.191 9.713 216 H LEU 28 H LEU 28 -1.428 7.147 7.574 217 HA LEU 28 HA LEU 28 0.549 6.257 5.605 218 HB2 LEU 28 2HB LEU 28 -2.198 7.531 5.377 219 HB3 LEU 28 3HB LEU 28 -1.180 7.187 3.978 220 HG LEU 28 HG LEU 28 -1.250 4.871 5.769 221 HD11 LEU 28 1HD1 LEU 28 -3.586 6.025 6.044 222 HD12 LEU 28 2HD1 LEU 28 -3.931 5.322 4.454 223 HD13 LEU 28 3HD1 LEU 28 -3.499 4.330 5.875 224 HD21 LEU 28 3HD2 LEU 28 -0.460 5.093 3.363 225 HD22 LEU 28 1HD2 LEU 28 -1.512 3.722 3.662 226 HD23 LEU 28 2HD2 LEU 28 -2.174 5.172 2.891 227 H ARG 29 H ARG 29 -0.979 9.391 6.387 228 HA ARG 29 HA ARG 29 0.486 10.962 4.619 229 HB2 ARG 29 2HB ARG 29 -0.898 11.559 7.196 230 HB3 ARG 29 3HB ARG 29 0.273 12.744 6.614 231 HG2 ARG 29 2HG ARG 29 -0.935 12.677 4.357 232 HG3 ARG 29 3HG ARG 29 -2.229 11.792 5.199 233 HD2 ARG 29 2HD ARG 29 -2.244 13.663 6.914 234 HD3 ARG 29 3HD ARG 29 -1.118 14.561 5.892 235 HE ARG 29 HE ARG 29 -3.953 14.243 5.621 236 HH11 ARG 29 2HH2 ARG 29 -1.061 14.783 3.667 237 HH12 ARG 29 1HH2 ARG 29 -1.882 15.605 2.389 238 HH21 ARG 29 2HH1 ARG 29 -5.065 15.316 3.975 239 HH22 ARG 29 1HH1 ARG 29 -4.250 15.929 2.574 240 H SER 30 H SER 30 1.748 9.599 7.685 241 HA SER 30 HA SER 30 4.053 11.331 7.750 242 HB2 SER 30 2HB SER 30 3.473 8.511 8.765 243 HB3 SER 30 3HB SER 30 5.073 9.249 8.945 244 HG SER 30 HG SER 30 3.441 9.446 10.677 245 H GLU 31 H GLU 31 3.443 8.160 6.119 246 HA GLU 31 HA GLU 31 6.212 8.199 5.163 247 HB2 GLU 31 2HB GLU 31 4.657 6.161 5.716 248 HB3 GLU 31 3HB GLU 31 4.083 6.363 4.057 249 HG2 GLU 31 2HG GLU 31 5.909 4.736 4.130 250 HG3 GLU 31 3HG GLU 31 6.459 6.179 3.266 251 H ALA 32 H ALA 32 2.971 8.812 3.798 252 HA ALA 32 HA ALA 32 3.717 9.291 1.111 253 HB1 ALA 32 1HB ALA 32 1.486 10.414 2.850 254 HB2 ALA 32 2HB ALA 32 1.539 10.539 1.095 255 HB3 ALA 32 3HB ALA 32 1.407 8.946 1.849 256 H ALA 33 H ALA 33 3.892 11.362 4.034 257 HA ALA 33 HA ALA 33 4.341 13.824 2.707 258 HB1 ALA 33 1HB ALA 33 3.708 13.854 5.010 259 HB2 ALA 33 2HB ALA 33 5.092 12.844 5.494 260 HB3 ALA 33 3HB ALA 33 5.343 14.512 4.927 261 H LYS 34 H LYS 34 6.477 11.083 2.716 262 HA LYS 34 HA LYS 34 8.884 12.758 2.532 263 HB2 LYS 34 2HB LYS 34 8.252 9.847 2.610 264 HB3 LYS 34 3HB LYS 34 9.463 10.265 1.429 265 HG2 LYS 34 2HG LYS 34 10.598 9.755 3.485 266 HG3 LYS 34 3HG LYS 34 10.758 11.482 3.173 267 HD2 LYS 34 2HD LYS 34 10.280 11.288 5.503 268 HD3 LYS 34 3HD LYS 34 8.791 11.857 4.753 269 HE2 LYS 34 2HE LYS 34 8.080 10.174 6.250 270 HE3 LYS 34 3HE LYS 34 8.041 9.394 4.669 271 HZ1 LYS 34 3HZ LYS 34 10.192 9.072 6.678 272 HZ2 LYS 34 1HZ LYS 34 9.036 7.967 6.225 273 HZ3 LYS 34 2HZ LYS 34 10.144 8.376 5.162 274 H ASN 35 H ASN 35 6.321 11.658 0.374 275 HA ASN 35 HA ASN 35 7.419 13.442 -1.626 276 HB2 ASN 35 2HB ASN 35 8.454 11.026 -1.952 277 HB3 ASN 35 3HB ASN 35 6.867 10.682 -2.683 278 HD21 ASN 35 1HD2 ASN 35 9.446 10.659 -4.044 279 HD22 ASN 35 2HD2 ASN 35 9.395 11.976 -5.207 280 H VAL 36 H VAL 36 5.231 14.011 -0.333 281 HA VAL 36 HA VAL 36 3.095 14.649 -0.599 282 HB VAL 36 HB VAL 36 3.877 14.123 -3.455 283 HG11 VAL 36 1HG1 VAL 36 1.714 15.125 -4.176 284 HG12 VAL 36 2HG1 VAL 36 1.627 13.454 -3.634 285 HG13 VAL 36 3HG1 VAL 36 1.065 14.763 -2.554 286 HG21 VAL 36 3HG2 VAL 36 2.920 16.574 -1.932 287 HG22 VAL 36 1HG2 VAL 36 4.620 16.143 -2.232 288 HG23 VAL 36 2HG2 VAL 36 3.555 16.532 -3.590 289 H ASP 37 H ASP 37 3.008 11.903 -2.765 290 HA ASP 37 HA ASP 37 1.995 9.987 -0.907 291 HB2 ASP 37 2HB ASP 37 -0.117 11.393 -1.270 292 HB3 ASP 37 3HB ASP 37 -0.113 10.841 -2.942 293 H ASN 38 H ASN 38 4.103 10.275 -2.725 294 HA ASN 38 HA ASN 38 3.458 8.447 -4.955 295 HB2 ASN 38 2HB ASN 38 4.484 10.984 -5.143 296 HB3 ASN 38 3HB ASN 38 5.975 10.057 -5.046 297 HD21 ASN 38 1HD2 ASN 38 2.851 10.319 -6.788 298 HD22 ASN 38 2HD2 ASN 38 3.460 9.727 -8.313 299 H TYR 39 H TYR 39 5.275 8.771 -2.020 300 HA TYR 39 HA TYR 39 6.941 6.406 -2.652 301 HB2 TYR 39 2HB TYR 39 7.687 8.998 -1.247 302 HB3 TYR 39 3HB TYR 39 8.473 7.493 -0.865 303 HD1 TYR 39 HD2 TYR 39 7.629 8.273 -4.448 304 HD2 TYR 39 HD1 TYR 39 10.659 8.247 -1.378 305 HE1 TYR 39 HE2 TYR 39 9.354 8.452 -6.167 306 HE2 TYR 39 HE1 TYR 39 12.404 8.420 -3.110 307 HH TYR 39 HH TYR 39 12.847 8.438 -5.427 308 H ILE 40 H ILE 40 6.283 4.784 -1.294 309 HA ILE 40 HA ILE 40 5.384 5.445 1.429 310 HB ILE 40 HB ILE 40 3.763 3.648 -0.399 311 HG12 ILE 40 2HG1 ILE 40 2.941 6.463 0.383 312 HG13 ILE 40 3HG1 ILE 40 3.623 6.079 -1.192 313 HG21 ILE 40 1HG2 ILE 40 3.691 3.270 2.085 314 HG22 ILE 40 2HG2 ILE 40 3.099 4.934 2.282 315 HG23 ILE 40 3HG2 ILE 40 2.127 3.729 1.418 316 HD11 ILE 40 3HD1 ILE 40 1.398 4.286 -0.621 317 HD12 ILE 40 1HD1 ILE 40 0.958 6.016 -0.599 318 HD13 ILE 40 2HD1 ILE 40 1.712 5.304 -2.019 319 H SER 41 H SER 41 7.049 4.240 2.482 320 HA SER 41 HA SER 41 8.304 2.009 1.378 321 HB2 SER 41 2HB SER 41 9.209 3.324 3.281 322 HB3 SER 41 3HB SER 41 7.981 2.568 4.337 323 HG SER 41 HG SER 41 9.932 1.320 4.334 324 H ILE 42 H ILE 42 8.006 -0.138 1.417 325 HA ILE 42 HA ILE 42 5.467 -1.251 2.167 326 HB ILE 42 HB ILE 42 6.177 -3.289 1.522 327 HG12 ILE 42 2HG1 ILE 42 8.021 -3.830 2.895 328 HG13 ILE 42 3HG1 ILE 42 8.511 -4.049 1.225 329 HG21 ILE 42 1HG2 ILE 42 6.247 -1.518 -0.258 330 HG22 ILE 42 2HG2 ILE 42 8.004 -1.513 -0.119 331 HG23 ILE 42 3HG2 ILE 42 7.178 -2.992 -0.618 332 HD11 ILE 42 3HD1 ILE 42 9.678 -1.812 1.332 333 HD12 ILE 42 1HD1 ILE 42 9.311 -1.753 3.066 334 HD13 ILE 42 2HD1 ILE 42 10.334 -3.042 2.428 335 H ASP 43 H ASP 43 7.976 -0.144 4.212 336 HA ASP 43 HA ASP 43 7.567 -2.005 6.366 337 HB2 ASP 43 2HB ASP 43 8.242 0.973 6.374 338 HB3 ASP 43 3HB ASP 43 8.244 -0.059 7.809 339 H VAL 44 H VAL 44 5.785 0.986 5.298 340 HA VAL 44 HA VAL 44 4.025 0.955 7.576 341 HB VAL 44 HB VAL 44 4.494 2.539 5.094 342 HG11 VAL 44 1HG1 VAL 44 2.221 2.009 4.587 343 HG12 VAL 44 2HG1 VAL 44 1.698 2.395 6.249 344 HG13 VAL 44 3HG1 VAL 44 2.316 3.668 5.171 345 HG21 VAL 44 3HG2 VAL 44 3.597 3.174 7.935 346 HG22 VAL 44 1HG2 VAL 44 5.256 3.276 7.288 347 HG23 VAL 44 2HG2 VAL 44 3.992 4.370 6.702 348 H ILE 45 H ILE 45 3.870 -0.143 4.168 349 HA ILE 45 HA ILE 45 1.158 -1.021 4.404 350 HB ILE 45 HB ILE 45 3.273 -2.002 2.509 351 HG12 ILE 45 2HG1 ILE 45 1.302 0.084 1.586 352 HG13 ILE 45 3HG1 ILE 45 2.514 0.691 2.685 353 HG21 ILE 45 1HG2 ILE 45 1.154 -3.307 2.487 354 HG22 ILE 45 2HG2 ILE 45 0.226 -1.836 2.213 355 HG23 ILE 45 3HG2 ILE 45 1.344 -2.425 0.967 356 HD11 ILE 45 3HD1 ILE 45 3.337 -0.883 0.231 357 HD12 ILE 45 1HD1 ILE 45 3.010 0.859 0.185 358 HD13 ILE 45 2HD1 ILE 45 4.296 0.232 1.208 359 H ALA 46 H ALA 46 4.269 -2.667 4.991 360 HA ALA 46 HA ALA 46 3.030 -5.253 5.368 361 HB1 ALA 46 1HB ALA 46 5.425 -5.078 4.776 362 HB2 ALA 46 2HB ALA 46 5.752 -4.201 6.293 363 HB3 ALA 46 3HB ALA 46 5.223 -5.899 6.335 364 H SER 47 H SER 47 3.737 -2.403 7.321 365 HA SER 47 HA SER 47 2.988 -3.795 9.822 366 HB2 SER 47 2HB SER 47 4.980 -2.271 9.692 367 HB3 SER 47 3HB SER 47 3.866 -0.915 9.403 368 HG SER 47 HG SER 47 2.857 -1.502 11.407 369 H PHE 48 H PHE 48 1.145 -2.727 7.371 370 HA PHE 48 HA PHE 48 -0.486 -0.778 8.586 371 HB2 PHE 48 2HB PHE 48 -0.174 -1.943 6.101 372 HB3 PHE 48 3HB PHE 48 -1.769 -2.511 6.548 373 HD1 PHE 48 1HD PHE 48 -2.402 0.256 8.099 374 HD2 PHE 48 2HD PHE 48 -0.979 -0.888 4.178 375 HE1 PHE 48 1HE PHE 48 -3.363 2.312 7.125 376 HE2 PHE 48 2HE PHE 48 -1.925 1.176 3.225 377 HZ PHE 48 HZ PHE 48 -3.150 2.725 4.671 378 H ASN 49 H ASN 49 -0.211 -3.521 10.039 379 HA ASN 49 HA ASN 49 -1.283 -5.027 11.193 380 HB2 ASN 49 2HB ASN 49 -2.165 -2.678 12.042 381 HB3 ASN 49 3HB ASN 49 -3.728 -3.279 11.481 382 HD21 ASN 49 1HD2 ASN 49 -2.936 -2.747 14.266 383 HD22 ASN 49 2HD2 ASN 49 -2.972 -4.303 15.075 384 H ARG 50 H ARG 50 -4.162 -3.760 9.500 385 HA ARG 50 HA ARG 50 -5.398 -6.236 8.956 386 HB2 ARG 50 2HB ARG 50 -5.982 -3.556 8.551 387 HB3 ARG 50 3HB ARG 50 -5.631 -4.059 6.899 388 HG2 ARG 50 2HG ARG 50 -7.347 -5.966 7.319 389 HG3 ARG 50 3HG ARG 50 -7.766 -5.070 8.798 390 HD2 ARG 50 2HD ARG 50 -7.879 -2.996 7.152 391 HD3 ARG 50 3HD ARG 50 -8.047 -4.235 5.900 392 HE ARG 50 HE ARG 50 -9.881 -4.706 8.050 393 HH11 ARG 50 2HH2 ARG 50 -9.465 -2.715 5.153 394 HH12 ARG 50 1HH2 ARG 50 -10.930 -1.835 5.329 395 HH21 ARG 50 2HH1 ARG 50 -12.012 -3.746 8.155 396 HH22 ARG 50 1HH1 ARG 50 -12.483 -2.579 6.972 397 H MET 51 H MET 51 -2.868 -4.549 7.166 398 HA MET 51 HA MET 51 -2.867 -6.298 4.849 399 HB2 MET 51 2HB MET 51 -0.762 -4.514 6.126 400 HB3 MET 51 3HB MET 51 -0.445 -5.467 4.672 401 HG2 MET 51 2HG MET 51 -2.729 -3.474 4.852 402 HG3 MET 51 3HG MET 51 -1.111 -3.079 4.250 403 HE1 MET 51 3HE MET 51 -4.240 -3.079 2.812 404 HE2 MET 51 1HE MET 51 -4.453 -4.504 1.777 405 HE3 MET 51 2HE MET 51 -4.518 -4.682 3.548 406 H LYS 52 H LYS 52 -0.895 -6.132 7.864 407 HA LYS 52 HA LYS 52 0.747 -8.314 7.200 408 HB2 LYS 52 2HB LYS 52 0.939 -6.494 9.093 409 HB3 LYS 52 3HB LYS 52 0.031 -7.639 10.076 410 HG2 LYS 52 2HG LYS 52 1.723 -9.386 9.637 411 HG3 LYS 52 3HG LYS 52 2.583 -8.316 8.515 412 HD2 LYS 52 2HD LYS 52 3.059 -6.734 10.342 413 HD3 LYS 52 3HD LYS 52 2.227 -7.790 11.496 414 HE2 LYS 52 2HE LYS 52 4.704 -8.488 9.846 415 HE3 LYS 52 3HE LYS 52 4.688 -8.078 11.567 416 HZ1 LYS 52 3HZ LYS 52 3.278 -10.043 11.913 417 HZ2 LYS 52 1HZ LYS 52 3.443 -10.450 10.325 418 HZ3 LYS 52 2HZ LYS 52 4.760 -10.432 11.309 419 H THR 53 H THR 53 -2.470 -8.229 8.765 420 HA THR 53 HA THR 53 -2.407 -11.038 9.440 421 HB THR 53 HB THR 53 -4.835 -10.538 9.973 422 HG1 THR 53 1HG THR 53 -5.434 -8.387 9.880 423 HG21 THR 53 1HG2 THR 53 -2.884 -10.230 11.556 424 HG22 THR 53 2HG2 THR 53 -2.813 -8.529 11.060 425 HG23 THR 53 3HG2 THR 53 -4.255 -9.149 11.895 426 H ILE 54 H ILE 54 -4.103 -9.070 6.900 427 HA ILE 54 HA ILE 54 -5.410 -11.343 5.787 428 HB ILE 54 HB ILE 54 -4.608 -8.695 4.533 429 HG12 ILE 54 2HG1 ILE 54 -7.356 -9.733 5.371 430 HG13 ILE 54 3HG1 ILE 54 -6.324 -8.830 6.469 431 HG21 ILE 54 1HG2 ILE 54 -6.242 -9.228 2.710 432 HG22 ILE 54 2HG2 ILE 54 -4.901 -10.359 2.706 433 HG23 ILE 54 3HG2 ILE 54 -6.456 -10.851 3.393 434 HD11 ILE 54 3HD1 ILE 54 -7.892 -7.294 5.469 435 HD12 ILE 54 1HD1 ILE 54 -6.282 -6.925 4.812 436 HD13 ILE 54 2HD1 ILE 54 -7.468 -7.825 3.842 437 H SER 55 H SER 55 -2.163 -10.096 5.265 438 HA SER 55 HA SER 55 -1.683 -12.034 3.072 439 HB2 SER 55 2HB SER 55 -0.456 -9.562 3.936 440 HB3 SER 55 3HB SER 55 0.756 -10.830 4.062 441 HG SER 55 HG SER 55 -0.836 -10.284 1.772 442 H THR 56 H THR 56 -0.946 -11.635 6.497 443 HA THR 56 HA THR 56 0.124 -12.909 7.996 444 HB THR 56 HB THR 56 -0.821 -15.064 6.095 445 HG1 THR 56 1HG THR 56 -2.303 -13.727 7.288 446 HG21 THR 56 1HG2 THR 56 -0.603 -16.612 8.061 447 HG22 THR 56 2HG2 THR 56 0.958 -16.146 7.368 448 HG23 THR 56 3HG2 THR 56 0.391 -15.386 8.876 449 H ASP 57 H ASP 57 1.578 -12.501 4.859 450 HA ASP 57 HA ASP 57 4.189 -13.252 5.907 451 HB2 ASP 57 2HB ASP 57 3.142 -15.266 4.814 452 HB3 ASP 57 3HB ASP 57 2.937 -14.315 3.335 453 H LEU 58 H LEU 58 5.717 -11.997 4.938 454 HA LEU 58 HA LEU 58 4.879 -9.540 3.586 455 HB2 LEU 58 2HB LEU 58 7.651 -10.603 4.299 456 HB3 LEU 58 3HB LEU 58 7.358 -9.112 3.410 457 HG LEU 58 HG LEU 58 5.724 -8.619 5.496 458 HD11 LEU 58 1HD1 LEU 58 6.832 -9.296 7.596 459 HD12 LEU 58 2HD1 LEU 58 6.270 -10.716 6.698 460 HD13 LEU 58 3HD1 LEU 58 7.992 -10.280 6.680 461 HD21 LEU 58 3HD2 LEU 58 7.517 -7.149 4.675 462 HD22 LEU 58 1HD2 LEU 58 7.579 -7.269 6.440 463 HD23 LEU 58 2HD2 LEU 58 8.741 -8.179 5.449 464 H GLN 59 H GLN 59 5.767 -12.682 2.567 465 HA GLN 59 HA GLN 59 6.833 -11.986 -0.008 466 HB2 GLN 59 2HB GLN 59 7.164 -14.155 1.060 467 HB3 GLN 59 3HB GLN 59 5.429 -14.500 0.982 468 HG2 GLN 59 2HG GLN 59 5.450 -14.872 -1.316 469 HG3 GLN 59 3HG GLN 59 6.791 -13.752 -1.588 470 HE21 GLN 59 1HE2 GLN 59 8.039 -15.193 -2.879 471 HE22 GLN 59 2HE2 GLN 59 8.789 -16.602 -2.135 472 H LEU 60 H LEU 60 3.498 -12.940 1.131 473 HA LEU 60 HA LEU 60 2.349 -12.380 -1.452 474 HB2 LEU 60 2HB LEU 60 1.405 -13.182 1.281 475 HB3 LEU 60 3HB LEU 60 0.287 -12.230 0.344 476 HG LEU 60 HG LEU 60 -0.111 -14.615 0.050 477 HD11 LEU 60 1HD1 LEU 60 0.897 -13.445 -2.578 478 HD12 LEU 60 2HD1 LEU 60 -0.384 -14.636 -2.328 479 HD13 LEU 60 3HD1 LEU 60 -0.616 -12.964 -1.784 480 HD21 LEU 60 3HD2 LEU 60 2.632 -14.717 -1.280 481 HD22 LEU 60 1HD2 LEU 60 2.213 -15.420 0.298 482 HD23 LEU 60 2HD2 LEU 60 1.456 -16.041 -1.180 483 H ILE 61 H ILE 61 2.991 -10.439 1.461 484 HA ILE 61 HA ILE 61 1.316 -8.306 0.592 485 HB ILE 61 HB ILE 61 2.775 -8.839 2.874 486 HG12 ILE 61 2HG1 ILE 61 0.654 -7.766 2.849 487 HG13 ILE 61 3HG1 ILE 61 1.786 -6.767 3.750 488 HG21 ILE 61 1HG2 ILE 61 4.858 -7.789 2.052 489 HG22 ILE 61 2HG2 ILE 61 3.995 -6.276 1.760 490 HG23 ILE 61 3HG2 ILE 61 4.154 -6.908 3.406 491 HD11 ILE 61 3HD1 ILE 61 0.827 -6.253 0.889 492 HD12 ILE 61 1HD1 ILE 61 0.360 -5.386 2.346 493 HD13 ILE 61 2HD1 ILE 61 2.028 -5.272 1.755 494 H THR 62 H THR 62 4.691 -9.132 -0.058 495 HA THR 62 HA THR 62 5.265 -6.621 -1.420 496 HB THR 62 HB THR 62 6.733 -9.280 -1.233 497 HG1 THR 62 1HG THR 62 7.248 -6.682 -0.190 498 HG21 THR 62 1HG2 THR 62 7.416 -8.270 -3.358 499 HG22 THR 62 2HG2 THR 62 7.639 -6.690 -2.573 500 HG23 THR 62 3HG2 THR 62 8.700 -8.057 -2.160 501 H GLU 63 H GLU 63 4.200 -9.914 -2.402 502 HA GLU 63 HA GLU 63 4.425 -9.225 -5.216 503 HB2 GLU 63 2HB GLU 63 4.409 -11.586 -4.449 504 HB3 GLU 63 3HB GLU 63 2.717 -11.405 -3.930 505 HG2 GLU 63 2HG GLU 63 2.044 -10.846 -6.244 506 HG3 GLU 63 3HG GLU 63 3.729 -10.901 -6.773 507 H ALA 64 H ALA 64 1.909 -8.924 -2.761 508 HA ALA 64 HA ALA 64 -0.274 -8.340 -4.490 509 HB1 ALA 64 1HB ALA 64 0.352 -7.196 -1.735 510 HB2 ALA 64 2HB ALA 64 -1.216 -7.135 -2.568 511 HB3 ALA 64 3HB ALA 64 -0.526 -8.711 -2.082 512 H LEU 65 H LEU 65 2.191 -6.245 -2.977 513 HA LEU 65 HA LEU 65 1.321 -3.764 -4.136 514 HB2 LEU 65 2HB LEU 65 3.932 -4.849 -3.039 515 HB3 LEU 65 3HB LEU 65 3.898 -3.270 -3.795 516 HG LEU 65 HG LEU 65 1.907 -3.948 -1.618 517 HD11 LEU 65 1HD1 LEU 65 3.467 -3.086 0.042 518 HD12 LEU 65 2HD1 LEU 65 4.208 -4.446 -0.794 519 HD13 LEU 65 3HD1 LEU 65 4.688 -2.781 -1.221 520 HD21 LEU 65 3HD2 LEU 65 1.675 -1.837 -3.053 521 HD22 LEU 65 1HD2 LEU 65 1.807 -1.552 -1.318 522 HD23 LEU 65 2HD2 LEU 65 3.217 -1.280 -2.359 523 H LYS 66 H LYS 66 3.698 -6.246 -5.203 524 HA LYS 66 HA LYS 66 4.486 -4.800 -7.511 525 HB2 LYS 66 2HB LYS 66 5.605 -6.854 -6.423 526 HB3 LYS 66 3HB LYS 66 4.467 -7.833 -7.373 527 HG2 LYS 66 2HG LYS 66 5.308 -6.625 -9.447 528 HG3 LYS 66 3HG LYS 66 6.498 -5.801 -8.424 529 HD2 LYS 66 2HD LYS 66 7.479 -7.999 -7.819 530 HD3 LYS 66 3HD LYS 66 6.247 -8.813 -8.820 531 HE2 LYS 66 2HE LYS 66 7.044 -7.404 -10.778 532 HE3 LYS 66 3HE LYS 66 8.376 -6.835 -9.762 533 HZ1 LYS 66 3HZ LYS 66 9.102 -9.131 -9.560 534 HZ2 LYS 66 1HZ LYS 66 7.860 -9.645 -10.515 535 HZ3 LYS 66 2HZ LYS 66 9.037 -8.681 -11.141 536 H LYS 67 H LYS 67 1.635 -6.793 -7.006 537 HA LYS 67 HA LYS 67 0.919 -6.602 -9.897 538 HB2 LYS 67 2HB LYS 67 -0.303 -8.144 -7.559 539 HB3 LYS 67 3HB LYS 67 -0.958 -8.132 -9.203 540 HG2 LYS 67 2HG LYS 67 1.179 -9.120 -10.040 541 HG3 LYS 67 3HG LYS 67 1.762 -9.200 -8.368 542 HD2 LYS 67 2HD LYS 67 0.912 -11.365 -8.869 543 HD3 LYS 67 3HD LYS 67 -0.288 -10.607 -7.814 544 HE2 LYS 67 2HE LYS 67 -1.656 -10.022 -9.834 545 HE3 LYS 67 3HE LYS 67 -0.427 -10.774 -10.863 546 HZ1 LYS 67 3HZ LYS 67 -2.108 -12.164 -8.866 547 HZ2 LYS 67 1HZ LYS 67 -2.216 -12.331 -10.465 548 HZ3 LYS 67 2HZ LYS 67 -0.892 -12.880 -9.695 549 H SER 68 H SER 68 0.938 -4.092 -8.142 550 HA SER 68 HA SER 68 -1.530 -3.682 -6.972 551 HB2 SER 68 2HB SER 68 -0.953 -1.207 -7.390 552 HB3 SER 68 3HB SER 68 0.130 -2.113 -6.396 553 HG SER 68 HG SER 68 0.405 -1.298 -9.069 554 H THR 69 H THR 69 -3.293 -2.372 -7.526 555 HA THR 69 HA THR 69 -3.954 -2.514 -10.411 556 HB THR 69 HB THR 69 -5.037 -4.102 -8.967 557 HG1 THR 69 1HG THR 69 -7.228 -2.943 -9.595 558 HG21 THR 69 1HG2 THR 69 -5.281 -2.778 -6.806 559 HG22 THR 69 2HG2 THR 69 -6.584 -1.854 -7.606 560 HG23 THR 69 3HG2 THR 69 -6.751 -3.566 -7.351 561 H ARG 70 H ARG 70 -5.170 -0.523 -7.584 562 HA ARG 70 HA ARG 70 -5.472 1.675 -9.461 563 HB2 ARG 70 2HB ARG 70 -6.956 1.114 -7.394 564 HB3 ARG 70 3HB ARG 70 -5.697 1.930 -6.444 565 HG2 ARG 70 2HG ARG 70 -6.037 3.969 -7.926 566 HG3 ARG 70 3HG ARG 70 -7.335 3.093 -8.730 567 HD2 ARG 70 2HD ARG 70 -8.691 4.107 -7.260 568 HD3 ARG 70 3HD ARG 70 -8.119 2.909 -6.105 569 HE ARG 70 HE ARG 70 -7.056 4.568 -4.951 570 HH11 ARG 70 2HH2 ARG 70 -7.663 5.850 -8.211 571 HH12 ARG 70 1HH2 ARG 70 -7.224 7.479 -7.833 572 HH21 ARG 70 2HH1 ARG 70 -6.585 6.755 -4.399 573 HH22 ARG 70 1HH1 ARG 70 -6.505 7.959 -5.656 574 H LEU 71 H LEU 71 -2.630 0.484 -7.825 575 HA LEU 71 HA LEU 71 -1.510 3.209 -7.759 576 HB2 LEU 71 2HB LEU 71 -0.488 1.133 -5.871 577 HB3 LEU 71 3HB LEU 71 -0.628 2.854 -5.682 578 HG LEU 71 HG LEU 71 -2.979 0.957 -5.420 579 HD11 LEU 71 1HD1 LEU 71 -1.245 2.249 -3.276 580 HD12 LEU 71 2HD1 LEU 71 -2.685 1.245 -3.011 581 HD13 LEU 71 3HD1 LEU 71 -1.227 0.534 -3.730 582 HD21 LEU 71 3HD2 LEU 71 -4.133 2.794 -4.378 583 HD22 LEU 71 1HD2 LEU 71 -2.680 3.812 -4.384 584 HD23 LEU 71 2HD2 LEU 71 -3.508 3.430 -5.902 585 H GLN 72 H GLN 72 0.966 2.977 -7.948 586 HA GLN 72 HA GLN 72 1.762 0.521 -9.443 587 HB2 GLN 72 2HB GLN 72 2.367 3.409 -10.232 588 HB3 GLN 72 3HB GLN 72 3.143 1.975 -10.899 589 HG2 GLN 72 2HG GLN 72 1.566 2.198 -12.488 590 HG3 GLN 72 3HG GLN 72 0.617 1.218 -11.375 591 HE21 GLN 72 1HE2 GLN 72 -0.189 3.282 -13.482 592 HE22 GLN 72 2HE2 GLN 72 -1.161 4.425 -12.565 593 H VAL 73 H VAL 73 3.427 -0.411 -8.490 594 HA VAL 73 HA VAL 73 5.015 0.999 -6.460 595 HB VAL 73 HB VAL 73 4.731 -1.889 -7.320 596 HG11 VAL 73 1HG1 VAL 73 6.277 -0.823 -4.922 597 HG12 VAL 73 2HG1 VAL 73 5.881 -2.524 -5.232 598 HG13 VAL 73 3HG1 VAL 73 6.948 -1.664 -6.333 599 HG21 VAL 73 3HG2 VAL 73 2.901 -0.431 -5.892 600 HG22 VAL 73 1HG2 VAL 73 3.213 -2.121 -5.608 601 HG23 VAL 73 2HG2 VAL 73 3.986 -0.967 -4.576 602 H SER 74 H SER 74 7.151 1.443 -6.722 603 HA SER 74 HA SER 74 8.342 1.349 -9.335 604 HB2 SER 74 2HB SER 74 9.552 1.832 -6.591 605 HB3 SER 74 3HB SER 74 10.343 2.141 -8.151 606 HG SER 74 HG SER 74 9.331 4.018 -7.276 607 H GLU 75 H GLU 75 10.335 0.242 -9.956 608 HA GLU 75 HA GLU 75 10.234 -2.540 -9.478 609 HB2 GLU 75 2HB GLU 75 12.213 -0.629 -10.721 610 HB3 GLU 75 3HB GLU 75 12.661 -2.330 -10.497 611 HG2 GLU 75 2HG GLU 75 10.796 -3.113 -11.788 612 HG3 GLU 75 3HG GLU 75 10.058 -1.509 -11.839 613 H ASP 76 H ASP 76 11.458 -0.098 -7.333 614 HA ASP 76 HA ASP 76 13.498 -1.776 -6.119 615 HB2 ASP 76 2HB ASP 76 12.928 0.899 -5.993 616 HB3 ASP 76 3HB ASP 76 12.150 0.357 -4.513 617 H GLY 77 H GLY 77 9.988 -1.398 -5.925 618 HA2 GLY 77 2HA GLY 77 8.413 -2.345 -4.480 619 HA3 GLY 77 3HA GLY 77 9.614 -3.602 -4.119 620 H LYS 78 H LYS 78 10.136 -0.177 -3.666 621 HA LYS 78 HA LYS 78 9.789 -0.321 -0.684 622 HB2 LYS 78 2HB LYS 78 11.789 1.290 -2.318 623 HB3 LYS 78 3HB LYS 78 11.620 1.349 -0.561 624 HG2 LYS 78 2HG LYS 78 12.308 -1.205 -2.051 625 HG3 LYS 78 3HG LYS 78 13.521 -0.018 -1.532 626 HD2 LYS 78 2HD LYS 78 13.188 -0.414 0.733 627 HD3 LYS 78 3HD LYS 78 11.611 -1.181 0.483 628 HE2 LYS 78 2HE LYS 78 13.529 -2.786 0.963 629 HE3 LYS 78 3HE LYS 78 12.546 -3.132 -0.468 630 HZ1 LYS 78 3HZ LYS 78 15.166 -1.771 -0.525 631 HZ2 LYS 78 1HZ LYS 78 14.880 -3.330 -0.974 632 HZ3 LYS 78 2HZ LYS 78 14.252 -2.078 -1.849 633 H MET 79 H MET 79 8.536 1.005 -3.580 634 HA MET 79 HA MET 79 7.112 2.922 -1.950 635 HB2 MET 79 2HB MET 79 8.883 3.750 -4.337 636 HB3 MET 79 3HB MET 79 7.554 4.732 -3.753 637 HG2 MET 79 2HG MET 79 9.228 5.729 -2.613 638 HG3 MET 79 3HG MET 79 8.794 4.520 -1.419 639 HE1 MET 79 3HE MET 79 11.200 5.784 -0.704 640 HE2 MET 79 1HE MET 79 10.862 4.175 -0.023 641 HE3 MET 79 2HE MET 79 12.490 4.558 -0.632 642 H VAL 80 H VAL 80 5.235 3.767 -2.936 643 HA VAL 80 HA VAL 80 4.448 2.687 -5.508 644 HB VAL 80 HB VAL 80 3.698 0.976 -4.031 645 HG11 VAL 80 1HG1 VAL 80 2.205 1.354 -2.097 646 HG12 VAL 80 2HG1 VAL 80 3.851 1.955 -1.864 647 HG13 VAL 80 3HG1 VAL 80 2.525 3.091 -2.245 648 HG21 VAL 80 3HG2 VAL 80 1.311 0.985 -4.309 649 HG22 VAL 80 1HG2 VAL 80 1.274 2.756 -4.412 650 HG23 VAL 80 2HG2 VAL 80 2.014 1.798 -5.718 651 H ARG 81 H ARG 81 2.811 3.941 -6.434 652 HA ARG 81 HA ARG 81 2.196 6.487 -4.997 653 HB2 ARG 81 2HB ARG 81 2.150 7.575 -7.234 654 HB3 ARG 81 3HB ARG 81 3.757 7.075 -6.706 655 HG2 ARG 81 2HG ARG 81 2.261 5.132 -8.454 656 HG3 ARG 81 3HG ARG 81 2.778 6.633 -9.204 657 HD2 ARG 81 2HD ARG 81 4.653 4.793 -7.662 658 HD3 ARG 81 3HD ARG 81 4.419 4.772 -9.423 659 HE ARG 81 HE ARG 81 5.118 7.345 -8.167 660 HH11 ARG 81 2HH2 ARG 81 6.439 4.501 -9.758 661 HH12 ARG 81 1HH2 ARG 81 7.821 5.312 -10.405 662 HH21 ARG 81 2HH1 ARG 81 6.893 8.416 -8.872 663 HH22 ARG 81 1HH1 ARG 81 8.091 7.676 -9.898 664 H ARG 82 H ARG 82 0.083 7.174 -5.172 665 HA ARG 82 HA ARG 82 -1.869 5.198 -6.091 666 HB2 ARG 82 2HB ARG 82 -3.518 6.891 -5.437 667 HB3 ARG 82 3HB ARG 82 -2.325 6.653 -4.162 668 HG2 ARG 82 2HG ARG 82 -1.901 8.860 -4.163 669 HG3 ARG 82 3HG ARG 82 -1.206 8.745 -5.742 670 HD2 ARG 82 2HD ARG 82 -2.970 9.648 -6.781 671 HD3 ARG 82 3HD ARG 82 -4.176 8.858 -5.756 672 HE ARG 82 HE ARG 82 -3.352 11.492 -5.629 673 HH11 ARG 82 2HH2 ARG 82 -3.367 9.168 -2.959 674 HH12 ARG 82 1HH2 ARG 82 -4.755 9.798 -2.198 675 HH21 ARG 82 2HH1 ARG 82 -4.764 12.689 -4.264 676 HH22 ARG 82 1HH1 ARG 82 -5.327 12.029 -2.769 677 H LEU 83 H LEU 83 -3.745 6.166 -7.461 678 HA LEU 83 HA LEU 83 -2.692 7.083 -10.031 679 HB2 LEU 83 2HB LEU 83 -5.125 5.793 -8.931 680 HB3 LEU 83 3HB LEU 83 -5.532 7.080 -10.047 681 HG LEU 83 HG LEU 83 -3.580 4.859 -10.763 682 HD11 LEU 83 1HD1 LEU 83 -5.605 3.955 -12.014 683 HD12 LEU 83 2HD1 LEU 83 -5.697 3.848 -10.251 684 HD13 LEU 83 3HD1 LEU 83 -6.603 5.117 -11.103 685 HD21 LEU 83 3HD2 LEU 83 -5.200 6.840 -12.434 686 HD22 LEU 83 1HD2 LEU 83 -3.454 6.956 -12.121 687 HD23 LEU 83 2HD2 LEU 83 -4.099 5.598 -13.060 688 H ASP 84 H ASP 84 -2.669 9.221 -10.549 689 HA ASP 84 HA ASP 84 -3.168 11.390 -9.054 690 HB2 ASP 84 2HB ASP 84 -3.005 10.849 -11.957 691 HB3 ASP 84 3HB ASP 84 -3.918 12.305 -11.562 692 HA PRO 85 HA PRO 85 -7.650 12.060 -10.326 693 HB2 PRO 85 2HB PRO 85 -9.152 10.111 -11.558 694 HB3 PRO 85 3HB PRO 85 -8.147 11.303 -12.444 695 HG2 PRO 85 2HG PRO 85 -7.402 8.471 -11.653 696 HG3 PRO 85 3HG PRO 85 -7.238 9.249 -13.263 697 HD2 PRO 85 2HD PRO 85 -5.146 9.100 -11.563 698 HD3 PRO 85 3HD PRO 85 -5.418 10.580 -12.529 699 H LEU 86 H LEU 86 -9.510 11.720 -9.090 700 HA LEU 86 HA LEU 86 -8.964 10.381 -6.651 701 HB2 LEU 86 2HB LEU 86 -11.471 11.699 -7.781 702 HB3 LEU 86 3HB LEU 86 -11.444 10.960 -6.193 703 HG LEU 86 HG LEU 86 -9.125 12.547 -6.174 704 HD11 LEU 86 1HD1 LEU 86 -11.420 14.123 -7.415 705 HD12 LEU 86 2HD1 LEU 86 -9.881 14.786 -6.828 706 HD13 LEU 86 3HD1 LEU 86 -9.895 13.709 -8.231 707 HD21 LEU 86 3HD2 LEU 86 -10.664 12.196 -4.295 708 HD22 LEU 86 1HD2 LEU 86 -10.381 13.924 -4.563 709 HD23 LEU 86 2HD2 LEU 86 -11.903 13.181 -5.104 710 HA PRO 87 HA PRO 87 -10.427 6.331 -7.347 711 HB2 PRO 87 2HB PRO 87 -11.373 5.638 -4.850 712 HB3 PRO 87 3HB PRO 87 -9.636 5.817 -5.236 713 HG2 PRO 87 2HG PRO 87 -11.494 7.832 -3.940 714 HG3 PRO 87 3HG PRO 87 -9.836 7.387 -3.430 715 HD2 PRO 87 2HD PRO 87 -10.312 9.596 -4.892 716 HD3 PRO 87 3HD PRO 87 -8.855 8.599 -5.175 717 H GLU 88 H GLU 88 -12.269 5.737 -8.452 718 HA GLU 88 HA GLU 88 -14.809 5.951 -7.011 719 HB2 GLU 88 2HB GLU 88 -14.714 8.008 -8.379 720 HB3 GLU 88 3HB GLU 88 -14.483 7.042 -9.844 721 HG2 GLU 88 2HG GLU 88 -16.675 5.981 -9.541 722 HG3 GLU 88 3HG GLU 88 -16.858 6.723 -7.950 723 H ASN 89 H ASN 89 -14.738 3.718 -6.784 724 HA ASN 89 HA ASN 89 -14.852 1.501 -7.326 725 HB2 ASN 89 2HB ASN 89 -16.424 2.580 -9.686 726 HB3 ASN 89 3HB ASN 89 -16.493 0.946 -9.038 727 HD21 ASN 89 1HD2 ASN 89 -17.644 4.244 -8.603 728 HD22 ASN 89 2HD2 ASN 89 -18.655 3.875 -7.212 729 H ILE 90 H ILE 90 -12.366 2.235 -8.074 730 HA ILE 90 HA ILE 90 -12.074 1.406 -10.881 731 HB ILE 90 HB ILE 90 -10.100 2.324 -8.740 732 HG12 ILE 90 2HG1 ILE 90 -11.548 4.112 -9.648 733 HG13 ILE 90 3HG1 ILE 90 -9.853 4.353 -10.040 734 HG21 ILE 90 1HG2 ILE 90 -8.445 2.547 -10.696 735 HG22 ILE 90 2HG2 ILE 90 -8.747 0.920 -10.083 736 HG23 ILE 90 3HG2 ILE 90 -9.514 1.452 -11.592 737 HD11 ILE 90 3HD1 ILE 90 -11.264 4.898 -11.959 738 HD12 ILE 90 1HD1 ILE 90 -10.259 3.496 -12.348 739 HD13 ILE 90 2HD1 ILE 90 -11.982 3.283 -11.949 740 H ASP 91 H ASP 91 -10.586 -0.455 -11.360 741 HA ASP 91 HA ASP 91 -11.284 -2.811 -9.839 742 HB2 ASP 91 2HB ASP 91 -9.378 -2.211 -12.142 743 HB3 ASP 91 3HB ASP 91 -9.498 -3.812 -11.418 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -1.508 -18.877 -1.559 2 H2 MET 1 H2 MET 1 -1.809 -18.640 0.062 3 H3 MET 1 H3 MET 1 -2.977 -19.257 -0.945 4 HA MET 1 HA MET 1 -3.653 -17.131 -0.934 5 HB2 MET 1 2HB MET 1 -0.702 -16.397 -0.712 6 HB3 MET 1 3HB MET 1 -2.011 -15.222 -0.904 7 HG2 MET 1 2HG MET 1 -3.064 -16.593 1.136 8 HG3 MET 1 3HG MET 1 -1.382 -17.012 1.433 9 HE1 MET 1 1HE MET 1 -2.205 -14.394 4.218 10 HE2 MET 1 2HE MET 1 -3.494 -15.351 3.463 11 HE3 MET 1 3HE MET 1 -1.914 -16.098 3.823 12 H SER 2 H SER 2 -4.402 -17.989 -3.016 13 HA SER 2 HA SER 2 -2.512 -18.180 -5.238 14 HB2 SER 2 2HB SER 2 -4.720 -18.910 -6.360 15 HB3 SER 2 3HB SER 2 -4.172 -19.910 -5.001 16 HG SER 2 HG SER 2 -6.411 -19.304 -4.837 17 H GLU 3 H GLU 3 -4.081 -17.198 -7.410 18 HA GLU 3 HA GLU 3 -3.708 -14.406 -7.076 19 HB2 GLU 3 2HB GLU 3 -4.046 -15.981 -9.279 20 HB3 GLU 3 3HB GLU 3 -5.664 -15.237 -9.159 21 HG2 GLU 3 2HG GLU 3 -4.420 -13.007 -8.775 22 HG3 GLU 3 3HG GLU 3 -2.941 -13.849 -9.227 23 H GLU 4 H GLU 4 -6.394 -16.439 -6.171 24 HA GLU 4 HA GLU 4 -8.350 -14.376 -5.821 25 HB2 GLU 4 2HB GLU 4 -7.784 -16.989 -4.370 26 HB3 GLU 4 3HB GLU 4 -9.121 -15.912 -3.925 27 HG2 GLU 4 2HG GLU 4 -10.104 -16.096 -6.144 28 HG3 GLU 4 3HG GLU 4 -8.730 -17.056 -6.720 29 H THR 5 H THR 5 -5.757 -15.660 -3.461 30 HA THR 5 HA THR 5 -6.729 -13.721 -1.576 31 HB THR 5 HB THR 5 -4.006 -14.968 -1.466 32 HG1 THR 5 1HG THR 5 -6.486 -16.274 -1.095 33 HG21 THR 5 1HG2 THR 5 -4.691 -15.177 0.969 34 HG22 THR 5 2HG2 THR 5 -4.644 -13.507 0.383 35 HG23 THR 5 3HG2 THR 5 -6.198 -14.345 0.570 36 H SER 6 H SER 6 -4.074 -13.811 -3.924 37 HA SER 6 HA SER 6 -2.660 -11.495 -3.180 38 HB2 SER 6 2HB SER 6 -1.840 -13.121 -4.852 39 HB3 SER 6 3HB SER 6 -3.223 -12.755 -5.897 40 HG SER 6 HG SER 6 -1.003 -11.130 -5.299 41 H THR 7 H THR 7 -5.405 -11.855 -5.462 42 HA THR 7 HA THR 7 -5.540 -9.013 -5.871 43 HB THR 7 HB THR 7 -7.561 -11.182 -6.544 44 HG1 THR 7 1HG THR 7 -6.007 -11.744 -7.767 45 HG21 THR 7 1HG2 THR 7 -8.561 -8.938 -6.755 46 HG22 THR 7 2HG2 THR 7 -7.159 -8.386 -7.702 47 HG23 THR 7 3HG2 THR 7 -8.249 -9.630 -8.355 48 H GLN 8 H GLN 8 -7.082 -11.183 -3.553 49 HA GLN 8 HA GLN 8 -9.052 -9.278 -2.603 50 HB2 GLN 8 2HB GLN 8 -7.728 -11.783 -1.533 51 HB3 GLN 8 3HB GLN 8 -8.628 -10.779 -0.424 52 HG2 GLN 8 2HG GLN 8 -9.822 -11.813 -3.026 53 HG3 GLN 8 3HG GLN 8 -9.915 -12.694 -1.495 54 HE21 GLN 8 1HE2 GLN 8 -12.086 -11.297 -3.227 55 HE22 GLN 8 2HE2 GLN 8 -12.897 -10.314 -2.005 56 H ILE 9 H ILE 9 -5.597 -9.787 -2.002 57 HA ILE 9 HA ILE 9 -5.727 -7.967 0.298 58 HB ILE 9 HB ILE 9 -4.131 -10.071 -0.181 59 HG12 ILE 9 2HG1 ILE 9 -3.200 -7.593 1.303 60 HG13 ILE 9 3HG1 ILE 9 -4.506 -8.657 1.877 61 HG21 ILE 9 1HG2 ILE 9 -2.289 -7.742 -0.846 62 HG22 ILE 9 2HG2 ILE 9 -1.867 -9.464 -0.700 63 HG23 ILE 9 3HG2 ILE 9 -2.853 -8.920 -2.041 64 HD11 ILE 9 3HD1 ILE 9 -2.854 -10.578 1.740 65 HD12 ILE 9 1HD1 ILE 9 -1.580 -9.346 1.520 66 HD13 ILE 9 2HD1 ILE 9 -2.593 -9.338 2.985 67 H LEU 10 H LEU 10 -4.914 -8.029 -3.093 68 HA LEU 10 HA LEU 10 -3.661 -5.526 -3.236 69 HB2 LEU 10 2HB LEU 10 -3.967 -7.437 -5.019 70 HB3 LEU 10 3HB LEU 10 -5.423 -6.547 -5.456 71 HG LEU 10 HG LEU 10 -2.498 -5.851 -5.729 72 HD11 LEU 10 1HD1 LEU 10 -4.995 -5.661 -7.474 73 HD12 LEU 10 2HD1 LEU 10 -3.361 -5.222 -7.999 74 HD13 LEU 10 3HD1 LEU 10 -3.720 -6.887 -7.556 75 HD21 LEU 10 3HD2 LEU 10 -4.702 -3.777 -5.507 76 HD22 LEU 10 1HD2 LEU 10 -3.206 -3.876 -4.553 77 HD23 LEU 10 2HD2 LEU 10 -3.127 -3.460 -6.240 78 H LYS 11 H LYS 11 -7.134 -6.330 -3.692 79 HA LYS 11 HA LYS 11 -7.876 -3.565 -4.003 80 HB2 LYS 11 2HB LYS 11 -10.135 -4.290 -3.862 81 HB3 LYS 11 3HB LYS 11 -9.208 -5.513 -4.751 82 HG2 LYS 11 2HG LYS 11 -8.952 -6.568 -2.304 83 HG3 LYS 11 3HG LYS 11 -10.460 -5.683 -2.016 84 HD2 LYS 11 2HD LYS 11 -9.876 -7.645 -4.273 85 HD3 LYS 11 3HD LYS 11 -10.854 -8.003 -2.816 86 HE2 LYS 11 2HE LYS 11 -12.461 -6.264 -3.372 87 HE3 LYS 11 3HE LYS 11 -11.484 -5.697 -4.709 88 HZ1 LYS 11 3HZ LYS 11 -11.913 -7.756 -5.845 89 HZ2 LYS 11 1HZ LYS 11 -12.884 -8.269 -4.597 90 HZ3 LYS 11 2HZ LYS 11 -13.285 -6.924 -5.467 91 H GLN 12 H GLN 12 -7.114 -5.470 -1.226 92 HA GLN 12 HA GLN 12 -8.367 -3.591 0.661 93 HB2 GLN 12 2HB GLN 12 -6.517 -5.916 0.995 94 HB3 GLN 12 3HB GLN 12 -6.846 -4.792 2.326 95 HG2 GLN 12 2HG GLN 12 -9.109 -6.131 0.839 96 HG3 GLN 12 3HG GLN 12 -8.210 -7.018 2.066 97 HE21 GLN 12 1HE2 GLN 12 -11.067 -6.197 2.056 98 HE22 GLN 12 2HE2 GLN 12 -11.270 -5.208 3.488 99 H VAL 13 H VAL 13 -5.322 -3.788 -1.172 100 HA VAL 13 HA VAL 13 -3.924 -1.987 0.673 101 HB VAL 13 HB VAL 13 -3.364 -3.323 -1.968 102 HG11 VAL 13 1HG1 VAL 13 -2.520 -1.104 -2.415 103 HG12 VAL 13 2HG1 VAL 13 -1.737 -1.020 -0.817 104 HG13 VAL 13 3HG1 VAL 13 -1.152 -2.158 -2.055 105 HG21 VAL 13 3HG2 VAL 13 -1.433 -4.187 -0.750 106 HG22 VAL 13 1HG2 VAL 13 -1.803 -3.136 0.637 107 HG23 VAL 13 2HG2 VAL 13 -2.905 -4.460 0.201 108 H GLU 14 H GLU 14 -5.562 -1.810 -2.555 109 HA GLU 14 HA GLU 14 -5.209 1.029 -2.683 110 HB2 GLU 14 2HB GLU 14 -6.505 1.010 -4.605 111 HB3 GLU 14 3HB GLU 14 -5.692 -0.564 -4.593 112 HG2 GLU 14 2HG GLU 14 -7.863 -1.423 -3.458 113 HG3 GLU 14 3HG GLU 14 -8.607 0.091 -3.997 114 H TYR 15 H TYR 15 -7.607 -0.992 -1.015 115 HA TYR 15 HA TYR 15 -9.658 0.861 -0.711 116 HB2 TYR 15 2HB TYR 15 -10.323 -1.158 0.088 117 HB3 TYR 15 3HB TYR 15 -8.715 -1.574 0.649 118 HD1 TYR 15 HD2 TYR 15 -11.734 0.403 1.565 119 HD2 TYR 15 HD1 TYR 15 -7.966 -1.250 2.864 120 HE1 TYR 15 HE2 TYR 15 -12.160 1.221 3.852 121 HE2 TYR 15 HE1 TYR 15 -8.336 -0.387 5.108 122 HH TYR 15 HH TYR 15 -10.933 1.881 5.815 123 H TYR 16 H TYR 16 -6.653 0.446 1.249 124 HA TYR 16 HA TYR 16 -7.267 2.382 3.206 125 HB2 TYR 16 2HB TYR 16 -4.697 1.262 2.101 126 HB3 TYR 16 3HB TYR 16 -4.630 2.665 3.146 127 HD1 TYR 16 HD2 TYR 16 -5.721 2.617 5.421 128 HD2 TYR 16 HD1 TYR 16 -4.975 -0.941 3.095 129 HE1 TYR 16 HE2 TYR 16 -5.671 1.295 7.495 130 HE2 TYR 16 HE1 TYR 16 -4.934 -2.286 5.180 131 HH TYR 16 HH TYR 16 -4.958 -0.790 8.398 132 H PHE 17 H PHE 17 -6.245 2.936 -0.122 133 HA PHE 17 HA PHE 17 -5.920 5.821 0.425 134 HB2 PHE 17 2HB PHE 17 -5.516 4.152 -2.088 135 HB3 PHE 17 3HB PHE 17 -5.251 5.895 -1.984 136 HD1 PHE 17 1HD PHE 17 -4.006 2.569 -0.887 137 HD2 PHE 17 2HD PHE 17 -3.359 6.840 -0.723 138 HE1 PHE 17 1HE PHE 17 -1.821 2.200 0.213 139 HE2 PHE 17 2HE PHE 17 -1.193 6.471 0.367 140 HZ PHE 17 HZ PHE 17 -0.430 4.141 0.889 141 H SER 18 H SER 18 -8.208 3.576 -0.949 142 HA SER 18 HA SER 18 -9.747 5.424 -2.486 143 HB2 SER 18 2HB SER 18 -9.505 2.977 -2.874 144 HB3 SER 18 3HB SER 18 -10.443 2.699 -1.392 145 HG SER 18 HG SER 18 -11.833 2.618 -3.002 146 H ASP 19 H ASP 19 -9.811 4.268 0.794 147 HA ASP 19 HA ASP 19 -12.502 4.927 1.509 148 HB2 ASP 19 2HB ASP 19 -11.071 3.079 2.310 149 HB3 ASP 19 3HB ASP 19 -9.941 4.221 3.015 150 H SER 20 H SER 20 -10.565 7.180 0.553 151 HA SER 20 HA SER 20 -9.418 9.018 1.234 152 HB2 SER 20 2HB SER 20 -12.268 9.311 2.081 153 HB3 SER 20 3HB SER 20 -11.126 10.562 2.617 154 HG SER 20 HG SER 20 -12.009 11.000 0.545 155 H ASN 21 H ASN 21 -8.865 6.746 2.897 156 HA ASN 21 HA ASN 21 -8.720 7.867 5.592 157 HB2 ASN 21 2HB ASN 21 -9.226 5.389 4.773 158 HB3 ASN 21 3HB ASN 21 -7.469 5.228 4.937 159 HD21 ASN 21 1HD2 ASN 21 -9.803 4.095 6.503 160 HD22 ASN 21 2HD2 ASN 21 -9.399 4.526 8.169 161 H PHE 22 H PHE 22 -6.622 7.590 2.751 162 HA PHE 22 HA PHE 22 -4.124 7.619 4.008 163 HB2 PHE 22 2HB PHE 22 -3.672 7.417 1.857 164 HB3 PHE 22 3HB PHE 22 -5.217 8.096 1.375 165 HD1 PHE 22 1HD PHE 22 -1.821 9.195 2.608 166 HD2 PHE 22 2HD PHE 22 -5.285 10.063 0.195 167 HE1 PHE 22 1HE PHE 22 -0.785 11.312 1.855 168 HE2 PHE 22 2HE PHE 22 -4.328 12.213 -0.431 169 HZ PHE 22 HZ PHE 22 -2.013 12.847 0.348 170 HA PRO 23 HA PRO 23 -4.159 12.222 4.373 171 HB2 PRO 23 2HB PRO 23 -6.388 13.810 4.227 172 HB3 PRO 23 3HB PRO 23 -5.472 13.270 2.783 173 HG2 PRO 23 2HG PRO 23 -7.996 12.066 3.949 174 HG3 PRO 23 3HG PRO 23 -7.629 12.439 2.234 175 HD2 PRO 23 2HD PRO 23 -7.322 9.957 3.373 176 HD3 PRO 23 3HD PRO 23 -6.344 10.511 2.007 177 H ARG 24 H ARG 24 -6.749 10.328 5.744 178 HA ARG 24 HA ARG 24 -7.190 12.039 8.070 179 HB2 ARG 24 2HB ARG 24 -8.930 10.764 6.746 180 HB3 ARG 24 3HB ARG 24 -8.266 9.260 7.376 181 HG2 ARG 24 2HG ARG 24 -9.272 11.504 9.174 182 HG3 ARG 24 3HG ARG 24 -10.350 10.292 8.485 183 HD2 ARG 24 2HD ARG 24 -9.896 8.903 10.172 184 HD3 ARG 24 3HD ARG 24 -8.244 8.772 9.590 185 HE ARG 24 HE ARG 24 -7.504 10.142 11.234 186 HH11 ARG 24 2HH2 ARG 24 -10.999 10.527 10.995 187 HH12 ARG 24 1HH2 ARG 24 -11.198 11.414 12.464 188 HH21 ARG 24 2HH1 ARG 24 -7.735 11.243 13.282 189 HH22 ARG 24 1HH1 ARG 24 -9.272 11.836 13.805 190 H ASP 25 H ASP 25 -5.390 9.100 7.251 191 HA ASP 25 HA ASP 25 -4.633 8.633 10.059 192 HB2 ASP 25 2HB ASP 25 -4.409 7.137 7.448 193 HB3 ASP 25 3HB ASP 25 -3.140 6.884 8.642 194 H LYS 26 H LYS 26 -3.221 10.154 10.711 195 HA LYS 26 HA LYS 26 -1.220 11.396 9.171 196 HB2 LYS 26 2HB LYS 26 -0.144 12.033 11.197 197 HB3 LYS 26 3HB LYS 26 -1.877 12.026 11.496 198 HG2 LYS 26 2HG LYS 26 -1.187 10.951 13.398 199 HG3 LYS 26 3HG LYS 26 -1.383 9.537 12.362 200 HD2 LYS 26 2HD LYS 26 1.138 9.752 11.832 201 HD3 LYS 26 3HD LYS 26 1.198 11.014 13.067 202 HE2 LYS 26 2HE LYS 26 0.437 9.439 14.772 203 HE3 LYS 26 3HE LYS 26 0.143 8.193 13.547 204 HZ1 LYS 26 3HZ LYS 26 2.790 9.312 14.230 205 HZ2 LYS 26 1HZ LYS 26 2.226 7.832 14.677 206 HZ3 LYS 26 2HZ LYS 26 2.507 8.160 13.092 207 H PHE 27 H PHE 27 -1.314 8.112 10.323 208 HA PHE 27 HA PHE 27 1.427 7.384 10.133 209 HB2 PHE 27 2HB PHE 27 -0.465 6.073 11.131 210 HB3 PHE 27 3HB PHE 27 -1.110 5.797 9.521 211 HD1 PHE 27 1HD PHE 27 2.320 5.591 11.096 212 HD2 PHE 27 2HD PHE 27 -0.747 3.571 8.820 213 HE1 PHE 27 1HE PHE 27 3.723 3.587 10.992 214 HE2 PHE 27 2HE PHE 27 0.676 1.542 8.733 215 HZ PHE 27 HZ PHE 27 2.898 1.537 9.845 216 H LEU 28 H LEU 28 -1.244 7.216 7.735 217 HA LEU 28 HA LEU 28 0.418 6.367 5.546 218 HB2 LEU 28 2HB LEU 28 -2.355 7.501 5.893 219 HB3 LEU 28 3HB LEU 28 -1.616 7.576 4.299 220 HG LEU 28 HG LEU 28 -1.233 4.926 5.521 221 HD11 LEU 28 1HD1 LEU 28 -3.340 5.183 6.598 222 HD12 LEU 28 2HD1 LEU 28 -4.080 5.957 5.199 223 HD13 LEU 28 3HD1 LEU 28 -3.679 4.255 5.131 224 HD21 LEU 28 3HD2 LEU 28 -1.756 4.227 3.289 225 HD22 LEU 28 1HD2 LEU 28 -2.669 5.699 2.959 226 HD23 LEU 28 2HD2 LEU 28 -0.893 5.742 3.113 227 H ARG 29 H ARG 29 -0.901 9.597 6.410 228 HA ARG 29 HA ARG 29 0.497 10.966 4.385 229 HB2 ARG 29 2HB ARG 29 -0.535 11.972 7.056 230 HB3 ARG 29 3HB ARG 29 0.337 13.003 5.913 231 HG2 ARG 29 2HG ARG 29 -1.371 11.995 4.146 232 HG3 ARG 29 3HG ARG 29 -2.347 11.708 5.594 233 HD2 ARG 29 2HD ARG 29 -1.093 14.421 5.054 234 HD3 ARG 29 3HD ARG 29 -2.590 13.941 4.242 235 HE ARG 29 HE ARG 29 -3.259 13.346 6.728 236 HH11 ARG 29 2HH2 ARG 29 -1.787 16.309 5.506 237 HH12 ARG 29 1HH2 ARG 29 -2.730 17.365 6.499 238 HH21 ARG 29 2HH1 ARG 29 -4.594 14.654 7.885 239 HH22 ARG 29 1HH1 ARG 29 -4.334 16.372 8.021 240 H SER 30 H SER 30 1.866 9.751 7.418 241 HA SER 30 HA SER 30 4.164 11.482 7.333 242 HB2 SER 30 2HB SER 30 3.451 9.995 9.280 243 HB3 SER 30 3HB SER 30 3.952 8.586 8.329 244 HG SER 30 HG SER 30 6.051 9.356 8.359 245 H GLU 31 H GLU 31 3.327 8.339 5.811 246 HA GLU 31 HA GLU 31 6.013 8.082 4.734 247 HB2 GLU 31 2HB GLU 31 3.976 6.336 5.298 248 HB3 GLU 31 3HB GLU 31 3.706 6.558 3.576 249 HG2 GLU 31 2HG GLU 31 5.178 4.692 3.861 250 HG3 GLU 31 3HG GLU 31 6.122 6.030 3.167 251 H ALA 32 H ALA 32 2.787 8.977 3.509 252 HA ALA 32 HA ALA 32 3.480 9.321 0.785 253 HB1 ALA 32 1HB ALA 32 1.178 9.082 1.642 254 HB2 ALA 32 2HB ALA 32 1.338 10.636 2.497 255 HB3 ALA 32 3HB ALA 32 1.335 10.590 0.735 256 H ALA 33 H ALA 33 3.796 11.481 3.616 257 HA ALA 33 HA ALA 33 4.325 13.898 2.224 258 HB1 ALA 33 1HB ALA 33 5.133 12.918 4.997 259 HB2 ALA 33 2HB ALA 33 5.407 14.572 4.397 260 HB3 ALA 33 3HB ALA 33 3.757 13.958 4.561 261 H LYS 34 H LYS 34 6.252 11.042 2.277 262 HA LYS 34 HA LYS 34 8.760 12.516 1.997 263 HB2 LYS 34 2HB LYS 34 8.074 9.841 2.628 264 HB3 LYS 34 3HB LYS 34 8.762 9.735 1.005 265 HG2 LYS 34 2HG LYS 34 10.553 9.510 2.621 266 HG3 LYS 34 3HG LYS 34 10.716 11.101 1.858 267 HD2 LYS 34 2HD LYS 34 9.007 11.586 4.049 268 HD3 LYS 34 3HD LYS 34 10.131 10.393 4.686 269 HE2 LYS 34 2HE LYS 34 10.931 12.948 3.216 270 HE3 LYS 34 3HE LYS 34 10.816 12.821 4.977 271 HZ1 LYS 34 3HZ LYS 34 12.525 11.155 4.943 272 HZ2 LYS 34 1HZ LYS 34 12.599 11.171 3.298 273 HZ3 LYS 34 2HZ LYS 34 13.075 12.492 4.157 274 H ASN 35 H ASN 35 6.157 11.495 -0.140 275 HA ASN 35 HA ASN 35 7.291 13.228 -2.135 276 HB2 ASN 35 2HB ASN 35 8.355 10.814 -2.451 277 HB3 ASN 35 3HB ASN 35 6.799 10.476 -3.229 278 HD21 ASN 35 1HD2 ASN 35 9.736 10.880 -4.199 279 HD22 ASN 35 2HD2 ASN 35 9.559 12.082 -5.472 280 H VAL 36 H VAL 36 5.128 13.888 -0.980 281 HA VAL 36 HA VAL 36 2.999 14.510 -1.282 282 HB VAL 36 HB VAL 36 3.750 13.773 -4.100 283 HG11 VAL 36 1HG1 VAL 36 1.572 14.734 -4.856 284 HG12 VAL 36 2HG1 VAL 36 1.492 13.105 -4.195 285 HG13 VAL 36 3HG1 VAL 36 0.954 14.492 -3.199 286 HG21 VAL 36 3HG2 VAL 36 3.421 16.174 -4.402 287 HG22 VAL 36 1HG2 VAL 36 2.837 16.332 -2.731 288 HG23 VAL 36 2HG2 VAL 36 4.525 15.868 -3.052 289 H ASP 37 H ASP 37 2.896 11.607 -3.261 290 HA ASP 37 HA ASP 37 1.869 9.881 -1.200 291 HB2 ASP 37 2HB ASP 37 -0.169 11.397 -1.892 292 HB3 ASP 37 3HB ASP 37 -0.187 10.430 -3.360 293 H ASN 38 H ASN 38 3.983 10.000 -3.098 294 HA ASN 38 HA ASN 38 3.349 7.940 -5.124 295 HB2 ASN 38 2HB ASN 38 5.406 10.172 -5.128 296 HB3 ASN 38 3HB ASN 38 5.367 8.850 -6.293 297 HD21 ASN 38 1HD2 ASN 38 4.886 10.105 -8.160 298 HD22 ASN 38 2HD2 ASN 38 3.338 10.924 -8.297 299 H TYR 39 H TYR 39 5.100 8.518 -2.204 300 HA TYR 39 HA TYR 39 6.873 6.189 -2.666 301 HB2 TYR 39 2HB TYR 39 7.510 8.902 -1.444 302 HB3 TYR 39 3HB TYR 39 8.353 7.455 -0.954 303 HD1 TYR 39 HD2 TYR 39 7.425 8.483 -4.500 304 HD2 TYR 39 HD1 TYR 39 10.551 7.767 -1.614 305 HE1 TYR 39 HE2 TYR 39 9.105 8.697 -6.276 306 HE2 TYR 39 HE1 TYR 39 12.238 7.975 -3.393 307 HH TYR 39 HH TYR 39 12.602 8.274 -5.703 308 H ILE 40 H ILE 40 6.169 4.648 -1.241 309 HA ILE 40 HA ILE 40 5.166 5.448 1.401 310 HB ILE 40 HB ILE 40 3.628 3.541 -0.389 311 HG12 ILE 40 2HG1 ILE 40 2.998 6.487 0.065 312 HG13 ILE 40 3HG1 ILE 40 3.520 5.762 -1.452 313 HG21 ILE 40 1HG2 ILE 40 2.753 5.023 2.119 314 HG22 ILE 40 2HG2 ILE 40 1.904 3.705 1.288 315 HG23 ILE 40 3HG2 ILE 40 3.423 3.375 2.127 316 HD11 ILE 40 3HD1 ILE 40 1.365 4.210 -1.079 317 HD12 ILE 40 1HD1 ILE 40 0.883 5.657 -0.153 318 HD13 ILE 40 2HD1 ILE 40 1.294 5.788 -1.869 319 H SER 41 H SER 41 6.714 4.139 2.724 320 HA SER 41 HA SER 41 8.036 1.998 1.476 321 HB2 SER 41 2HB SER 41 8.918 3.242 3.454 322 HB3 SER 41 3HB SER 41 7.729 2.351 4.454 323 HG SER 41 HG SER 41 9.695 1.148 4.316 324 H ILE 42 H ILE 42 7.758 -0.125 1.503 325 HA ILE 42 HA ILE 42 5.241 -1.350 2.063 326 HB ILE 42 HB ILE 42 6.736 -2.379 0.547 327 HG12 ILE 42 2HG1 ILE 42 5.199 -3.750 2.136 328 HG13 ILE 42 3HG1 ILE 42 6.284 -4.525 0.990 329 HG21 ILE 42 1HG2 ILE 42 8.861 -3.452 1.219 330 HG22 ILE 42 2HG2 ILE 42 8.914 -1.709 1.503 331 HG23 ILE 42 3HG2 ILE 42 8.682 -2.795 2.868 332 HD11 ILE 42 3HD1 ILE 42 6.991 -4.162 3.934 333 HD12 ILE 42 1HD1 ILE 42 6.286 -5.617 3.222 334 HD13 ILE 42 2HD1 ILE 42 7.886 -5.085 2.708 335 H ASP 43 H ASP 43 7.851 -0.327 4.200 336 HA ASP 43 HA ASP 43 7.309 -2.038 6.395 337 HB2 ASP 43 2HB ASP 43 8.198 0.870 6.322 338 HB3 ASP 43 3HB ASP 43 8.114 -0.101 7.796 339 H VAL 44 H VAL 44 5.603 0.975 5.337 340 HA VAL 44 HA VAL 44 4.023 1.212 7.710 341 HB VAL 44 HB VAL 44 4.341 2.506 5.053 342 HG11 VAL 44 1HG1 VAL 44 1.622 2.579 6.384 343 HG12 VAL 44 2HG1 VAL 44 2.208 3.713 5.141 344 HG13 VAL 44 3HG1 VAL 44 2.030 2.003 4.741 345 HG21 VAL 44 3HG2 VAL 44 5.252 3.374 7.179 346 HG22 VAL 44 1HG2 VAL 44 4.123 4.506 6.430 347 HG23 VAL 44 2HG2 VAL 44 3.594 3.546 7.808 348 H ILE 45 H ILE 45 3.675 -0.391 4.579 349 HA ILE 45 HA ILE 45 0.872 -1.036 4.991 350 HB ILE 45 HB ILE 45 2.788 -2.356 3.032 351 HG12 ILE 45 2HG1 ILE 45 1.295 0.269 2.492 352 HG13 ILE 45 3HG1 ILE 45 3.005 0.222 2.892 353 HG21 ILE 45 1HG2 ILE 45 0.402 -3.171 3.307 354 HG22 ILE 45 2HG2 ILE 45 -0.158 -1.586 2.746 355 HG23 ILE 45 3HG2 ILE 45 0.781 -2.628 1.664 356 HD11 ILE 45 3HD1 ILE 45 1.788 -1.051 0.445 357 HD12 ILE 45 1HD1 ILE 45 2.806 0.397 0.517 358 HD13 ILE 45 2HD1 ILE 45 3.495 -1.170 0.937 359 H ALA 46 H ALA 46 3.943 -2.676 5.499 360 HA ALA 46 HA ALA 46 2.744 -5.163 6.344 361 HB1 ALA 46 1HB ALA 46 5.060 -5.072 5.469 362 HB2 ALA 46 2HB ALA 46 5.538 -4.015 6.817 363 HB3 ALA 46 3HB ALA 46 5.040 -5.693 7.133 364 H SER 47 H SER 47 3.372 -2.020 7.786 365 HA SER 47 HA SER 47 2.867 -3.076 10.502 366 HB2 SER 47 2HB SER 47 4.823 -1.632 10.059 367 HB3 SER 47 3HB SER 47 3.739 -0.342 9.532 368 HG SER 47 HG SER 47 2.756 -0.620 11.712 369 H PHE 48 H PHE 48 0.912 -2.125 7.970 370 HA PHE 48 HA PHE 48 -0.928 -0.383 9.187 371 HB2 PHE 48 2HB PHE 48 -0.874 -2.273 6.895 372 HB3 PHE 48 3HB PHE 48 -2.480 -2.074 7.545 373 HD1 PHE 48 2HD PHE 48 -2.241 0.964 8.260 374 HD2 PHE 48 1HD PHE 48 -1.375 -1.462 4.793 375 HE1 PHE 48 2HE PHE 48 -2.701 2.878 6.799 376 HE2 PHE 48 1HE PHE 48 -1.839 0.482 3.323 377 HZ PHE 48 HZ PHE 48 -2.525 2.618 4.319 378 H ASN 49 H ASN 49 -0.184 -3.486 10.218 379 HA ASN 49 HA ASN 49 -1.078 -5.043 11.493 380 HB2 ASN 49 2HB ASN 49 -2.091 -3.056 12.812 381 HB3 ASN 49 3HB ASN 49 -3.622 -3.496 12.033 382 HD21 ASN 49 1HD2 ASN 49 -4.824 -4.941 13.383 383 HD22 ASN 49 2HD2 ASN 49 -4.024 -6.131 14.397 384 H ARG 50 H ARG 50 -3.988 -3.651 9.895 385 HA ARG 50 HA ARG 50 -5.284 -6.031 9.387 386 HB2 ARG 50 2HB ARG 50 -5.953 -3.508 9.018 387 HB3 ARG 50 3HB ARG 50 -5.337 -3.766 7.376 388 HG2 ARG 50 2HG ARG 50 -6.964 -5.697 7.165 389 HG3 ARG 50 3HG ARG 50 -7.626 -5.216 8.747 390 HD2 ARG 50 2HD ARG 50 -7.894 -2.858 7.761 391 HD3 ARG 50 3HD ARG 50 -7.482 -3.549 6.195 392 HE ARG 50 HE ARG 50 -9.502 -4.556 6.016 393 HH11 ARG 50 2HH2 ARG 50 -9.179 -3.104 9.228 394 HH12 ARG 50 1HH2 ARG 50 -10.811 -3.371 9.721 395 HH21 ARG 50 2HH1 ARG 50 -11.724 -5.007 6.706 396 HH22 ARG 50 1HH1 ARG 50 -12.289 -4.466 8.246 397 H MET 51 H MET 51 -3.008 -4.401 7.155 398 HA MET 51 HA MET 51 -3.200 -6.436 5.151 399 HB2 MET 51 2HB MET 51 -1.754 -3.927 5.476 400 HB3 MET 51 3HB MET 51 -0.653 -5.180 4.887 401 HG2 MET 51 2HG MET 51 -1.773 -3.921 3.068 402 HG3 MET 51 3HG MET 51 -2.071 -5.656 3.002 403 HE1 MET 51 3HE MET 51 -4.598 -6.068 1.894 404 HE2 MET 51 1HE MET 51 -3.990 -6.841 3.364 405 HE3 MET 51 2HE MET 51 -5.645 -6.225 3.328 406 H LYS 52 H LYS 52 -0.973 -5.979 7.933 407 HA LYS 52 HA LYS 52 0.725 -8.152 7.211 408 HB2 LYS 52 2HB LYS 52 0.914 -6.249 9.066 409 HB3 LYS 52 3HB LYS 52 0.113 -7.450 10.080 410 HG2 LYS 52 2HG LYS 52 1.918 -9.119 9.196 411 HG3 LYS 52 3HG LYS 52 2.775 -7.677 8.616 412 HD2 LYS 52 2HD LYS 52 2.704 -6.761 10.947 413 HD3 LYS 52 3HD LYS 52 1.892 -8.259 11.472 414 HE2 LYS 52 2HE LYS 52 3.879 -9.526 10.435 415 HE3 LYS 52 3HE LYS 52 4.695 -7.959 10.312 416 HZ1 LYS 52 3HZ LYS 52 5.302 -9.092 12.328 417 HZ2 LYS 52 1HZ LYS 52 4.437 -7.746 12.719 418 HZ3 LYS 52 2HZ LYS 52 3.733 -9.234 12.797 419 H THR 53 H THR 53 -2.445 -7.995 8.899 420 HA THR 53 HA THR 53 -2.221 -10.729 9.804 421 HB THR 53 HB THR 53 -4.654 -10.274 10.460 422 HG1 THR 53 1HG THR 53 -4.881 -8.465 8.903 423 HG21 THR 53 1HG2 THR 53 -2.433 -8.376 11.346 424 HG22 THR 53 2HG2 THR 53 -3.910 -8.728 12.268 425 HG23 THR 53 3HG2 THR 53 -2.714 -10.013 11.971 426 H ILE 54 H ILE 54 -3.793 -9.039 7.034 427 HA ILE 54 HA ILE 54 -5.167 -11.485 6.234 428 HB ILE 54 HB ILE 54 -4.675 -8.833 4.815 429 HG12 ILE 54 2HG1 ILE 54 -7.269 -9.981 5.949 430 HG13 ILE 54 3HG1 ILE 54 -6.204 -8.965 6.910 431 HG21 ILE 54 1HG2 ILE 54 -5.025 -10.639 3.128 432 HG22 ILE 54 2HG2 ILE 54 -6.483 -11.160 3.986 433 HG23 ILE 54 3HG2 ILE 54 -6.422 -9.574 3.189 434 HD11 ILE 54 3HD1 ILE 54 -7.985 -7.613 5.976 435 HD12 ILE 54 1HD1 ILE 54 -6.431 -7.124 5.274 436 HD13 ILE 54 2HD1 ILE 54 -7.576 -8.106 4.331 437 H SER 55 H SER 55 -2.048 -10.000 5.616 438 HA SER 55 HA SER 55 -1.465 -11.830 3.367 439 HB2 SER 55 2HB SER 55 -0.662 -9.282 3.722 440 HB3 SER 55 3HB SER 55 0.577 -10.021 4.719 441 HG SER 55 HG SER 55 1.391 -11.013 2.953 442 H THR 56 H THR 56 -0.667 -11.396 6.744 443 HA THR 56 HA THR 56 0.563 -12.567 8.218 444 HB THR 56 HB THR 56 -0.140 -14.833 6.324 445 HG1 THR 56 1HG THR 56 -1.664 -13.320 8.084 446 HG21 THR 56 1HG2 THR 56 1.343 -15.740 8.016 447 HG22 THR 56 2HG2 THR 56 0.565 -14.785 9.301 448 HG23 THR 56 3HG2 THR 56 -0.302 -16.134 8.534 449 H ASP 57 H ASP 57 1.908 -11.900 5.197 450 HA ASP 57 HA ASP 57 4.566 -12.852 5.888 451 HB2 ASP 57 2HB ASP 57 3.359 -14.802 4.870 452 HB3 ASP 57 3HB ASP 57 2.954 -13.796 3.470 453 H LEU 58 H LEU 58 6.003 -11.469 4.935 454 HA LEU 58 HA LEU 58 5.036 -9.067 3.594 455 HB2 LEU 58 2HB LEU 58 7.841 -10.035 4.331 456 HB3 LEU 58 3HB LEU 58 7.515 -8.553 3.437 457 HG LEU 58 HG LEU 58 5.856 -8.058 5.454 458 HD11 LEU 58 1HD1 LEU 58 6.259 -10.144 6.710 459 HD12 LEU 58 2HD1 LEU 58 8.000 -9.783 6.766 460 HD13 LEU 58 3HD1 LEU 58 6.840 -8.742 7.614 461 HD21 LEU 58 3HD2 LEU 58 7.651 -6.726 6.488 462 HD22 LEU 58 1HD2 LEU 58 8.882 -7.709 5.661 463 HD23 LEU 58 2HD2 LEU 58 7.794 -6.667 4.729 464 H GLN 59 H GLN 59 5.949 -12.159 2.558 465 HA GLN 59 HA GLN 59 7.048 -11.470 -0.017 466 HB2 GLN 59 2HB GLN 59 7.301 -13.684 1.172 467 HB3 GLN 59 3HB GLN 59 5.591 -14.000 0.813 468 HG2 GLN 59 2HG GLN 59 6.059 -13.730 -1.626 469 HG3 GLN 59 3HG GLN 59 7.763 -13.442 -1.256 470 HE21 GLN 59 1HE2 GLN 59 5.575 -15.838 -2.229 471 HE22 GLN 59 2HE2 GLN 59 6.543 -17.215 -1.714 472 H LEU 60 H LEU 60 3.752 -12.544 1.167 473 HA LEU 60 HA LEU 60 2.597 -12.089 -1.413 474 HB2 LEU 60 2HB LEU 60 1.659 -12.823 1.340 475 HB3 LEU 60 3HB LEU 60 0.507 -11.977 0.344 476 HG LEU 60 HG LEU 60 0.231 -14.357 0.095 477 HD11 LEU 60 1HD1 LEU 60 0.120 -14.551 -2.271 478 HD12 LEU 60 2HD1 LEU 60 -0.123 -12.830 -1.906 479 HD13 LEU 60 3HD1 LEU 60 1.435 -13.417 -2.529 480 HD21 LEU 60 3HD2 LEU 60 1.930 -15.814 -0.875 481 HD22 LEU 60 1HD2 LEU 60 3.078 -14.465 -0.957 482 HD23 LEU 60 2HD2 LEU 60 2.524 -15.069 0.623 483 H ILE 61 H ILE 61 3.117 -10.017 1.429 484 HA ILE 61 HA ILE 61 1.373 -7.972 0.432 485 HB ILE 61 HB ILE 61 2.805 -8.382 2.763 486 HG12 ILE 61 2HG1 ILE 61 0.596 -7.359 2.475 487 HG13 ILE 61 3HG1 ILE 61 1.621 -6.466 3.595 488 HG21 ILE 61 1HG2 ILE 61 4.045 -6.322 3.233 489 HG22 ILE 61 2HG2 ILE 61 4.857 -7.302 2.007 490 HG23 ILE 61 3HG2 ILE 61 3.967 -5.851 1.527 491 HD11 ILE 61 3HD1 ILE 61 1.236 -5.668 0.671 492 HD12 ILE 61 1HD1 ILE 61 0.305 -5.024 2.020 493 HD13 ILE 61 2HD1 ILE 61 2.059 -4.733 1.939 494 H THR 62 H THR 62 4.833 -8.679 -0.103 495 HA THR 62 HA THR 62 5.137 -6.152 -1.552 496 HB THR 62 HB THR 62 7.009 -7.250 -0.267 497 HG1 THR 62 1HG THR 62 7.311 -6.445 -2.961 498 HG21 THR 62 1HG2 THR 62 7.300 -8.946 -2.792 499 HG22 THR 62 2HG2 THR 62 8.467 -8.803 -1.463 500 HG23 THR 62 3HG2 THR 62 6.894 -9.547 -1.172 501 H GLU 63 H GLU 63 4.384 -9.488 -2.361 502 HA GLU 63 HA GLU 63 4.695 -9.163 -5.204 503 HB2 GLU 63 2HB GLU 63 4.775 -11.351 -4.038 504 HB3 GLU 63 3HB GLU 63 3.068 -11.165 -3.574 505 HG2 GLU 63 2HG GLU 63 2.392 -11.176 -5.928 506 HG3 GLU 63 3HG GLU 63 4.087 -11.140 -6.444 507 H ALA 64 H ALA 64 2.076 -8.709 -2.864 508 HA ALA 64 HA ALA 64 -0.065 -8.337 -4.747 509 HB1 ALA 64 1HB ALA 64 -0.398 -8.563 -2.310 510 HB2 ALA 64 2HB ALA 64 0.368 -6.984 -2.042 511 HB3 ALA 64 3HB ALA 64 -1.158 -7.083 -2.945 512 H LEU 65 H LEU 65 2.302 -6.102 -3.256 513 HA LEU 65 HA LEU 65 1.415 -3.775 -4.609 514 HB2 LEU 65 2HB LEU 65 4.034 -4.586 -3.326 515 HB3 LEU 65 3HB LEU 65 3.824 -3.013 -4.082 516 HG LEU 65 HG LEU 65 1.904 -3.995 -1.956 517 HD11 LEU 65 1HD1 LEU 65 3.184 -2.919 -0.288 518 HD12 LEU 65 2HD1 LEU 65 4.331 -3.927 -1.153 519 HD13 LEU 65 3HD1 LEU 65 4.304 -2.175 -1.469 520 HD21 LEU 65 3HD2 LEU 65 1.170 -2.057 -3.376 521 HD22 LEU 65 1HD2 LEU 65 1.456 -1.575 -1.708 522 HD23 LEU 65 2HD2 LEU 65 2.669 -1.205 -2.945 523 H LYS 66 H LYS 66 3.831 -6.250 -5.413 524 HA LYS 66 HA LYS 66 4.968 -5.090 -7.716 525 HB2 LYS 66 2HB LYS 66 5.664 -7.212 -6.403 526 HB3 LYS 66 3HB LYS 66 4.446 -8.050 -7.356 527 HG2 LYS 66 2HG LYS 66 6.472 -8.452 -8.426 528 HG3 LYS 66 3HG LYS 66 5.674 -7.265 -9.450 529 HD2 LYS 66 2HD LYS 66 7.527 -6.245 -7.292 530 HD3 LYS 66 3HD LYS 66 8.273 -7.112 -8.624 531 HE2 LYS 66 2HE LYS 66 6.446 -4.696 -8.986 532 HE3 LYS 66 3HE LYS 66 8.210 -4.627 -8.909 533 HZ1 LYS 66 3HZ LYS 66 6.625 -6.073 -10.930 534 HZ2 LYS 66 1HZ LYS 66 7.483 -4.690 -11.165 535 HZ3 LYS 66 2HZ LYS 66 8.272 -6.094 -10.835 536 H LYS 67 H LYS 67 1.979 -6.896 -7.283 537 HA LYS 67 HA LYS 67 1.340 -6.608 -10.177 538 HB2 LYS 67 2HB LYS 67 1.442 -8.896 -8.852 539 HB3 LYS 67 3HB LYS 67 -0.097 -8.377 -8.175 540 HG2 LYS 67 2HG LYS 67 -0.683 -7.972 -10.789 541 HG3 LYS 67 3HG LYS 67 0.656 -9.103 -11.009 542 HD2 LYS 67 2HD LYS 67 -1.264 -10.480 -10.945 543 HD3 LYS 67 3HD LYS 67 -0.592 -10.626 -9.307 544 HE2 LYS 67 2HE LYS 67 -2.184 -8.804 -8.564 545 HE3 LYS 67 3HE LYS 67 -2.844 -8.761 -10.204 546 HZ1 LYS 67 3HZ LYS 67 -2.928 -11.099 -8.401 547 HZ2 LYS 67 1HZ LYS 67 -4.215 -10.151 -8.784 548 HZ3 LYS 67 2HZ LYS 67 -3.508 -11.057 -9.943 549 H SER 68 H SER 68 1.066 -4.265 -8.335 550 HA SER 68 HA SER 68 -1.500 -4.175 -7.278 551 HB2 SER 68 2HB SER 68 0.460 -2.024 -8.107 552 HB3 SER 68 3HB SER 68 -1.136 -1.643 -7.414 553 HG SER 68 HG SER 68 1.074 -2.713 -6.233 554 H THR 69 H THR 69 -3.110 -2.388 -7.910 555 HA THR 69 HA THR 69 -3.816 -2.735 -10.768 556 HB THR 69 HB THR 69 -4.925 -4.324 -9.348 557 HG1 THR 69 1HG THR 69 -6.973 -2.577 -10.013 558 HG21 THR 69 1HG2 THR 69 -6.621 -2.244 -8.026 559 HG22 THR 69 2HG2 THR 69 -6.355 -3.889 -7.501 560 HG23 THR 69 3HG2 THR 69 -5.111 -2.680 -7.232 561 H ARG 70 H ARG 70 -5.071 -0.707 -7.943 562 HA ARG 70 HA ARG 70 -5.239 1.541 -9.814 563 HB2 ARG 70 2HB ARG 70 -5.815 1.139 -6.857 564 HB3 ARG 70 3HB ARG 70 -5.935 2.728 -7.597 565 HG2 ARG 70 2HG ARG 70 -7.451 0.361 -8.745 566 HG3 ARG 70 3HG ARG 70 -8.090 1.391 -7.437 567 HD2 ARG 70 2HD ARG 70 -7.989 3.344 -8.770 568 HD3 ARG 70 3HD ARG 70 -7.122 2.502 -10.078 569 HE ARG 70 HE ARG 70 -9.323 1.027 -9.973 570 HH11 ARG 70 2HH2 ARG 70 -9.016 4.549 -9.919 571 HH12 ARG 70 1HH2 ARG 70 -10.447 4.859 -10.831 572 HH21 ARG 70 2HH1 ARG 70 -11.214 1.410 -11.268 573 HH22 ARG 70 1HH1 ARG 70 -11.721 3.020 -11.624 574 H LEU 71 H LEU 71 -2.574 0.287 -8.023 575 HA LEU 71 HA LEU 71 -1.340 2.947 -7.969 576 HB2 LEU 71 2HB LEU 71 -0.444 1.038 -5.886 577 HB3 LEU 71 3HB LEU 71 -0.692 2.752 -5.813 578 HG LEU 71 HG LEU 71 -2.969 0.758 -5.597 579 HD11 LEU 71 1HD1 LEU 71 -1.328 0.387 -3.809 580 HD12 LEU 71 2HD1 LEU 71 -1.339 2.118 -3.410 581 HD13 LEU 71 3HD1 LEU 71 -2.801 1.142 -3.164 582 HD21 LEU 71 3HD2 LEU 71 -2.823 3.619 -4.551 583 HD22 LEU 71 1HD2 LEU 71 -3.509 3.237 -6.136 584 HD23 LEU 71 2HD2 LEU 71 -4.245 2.566 -4.674 585 H GLN 72 H GLN 72 1.106 2.640 -8.108 586 HA GLN 72 HA GLN 72 1.857 0.012 -9.334 587 HB2 GLN 72 2HB GLN 72 2.438 2.825 -10.355 588 HB3 GLN 72 3HB GLN 72 3.507 1.468 -10.688 589 HG2 GLN 72 2HG GLN 72 2.250 1.321 -12.541 590 HG3 GLN 72 3HG GLN 72 1.296 0.259 -11.511 591 HE21 GLN 72 1HE2 GLN 72 0.792 2.341 -13.899 592 HE22 GLN 72 2HE2 GLN 72 -0.637 3.162 -13.283 593 H VAL 73 H VAL 73 3.538 -0.914 -8.297 594 HA VAL 73 HA VAL 73 5.050 0.715 -6.370 595 HB VAL 73 HB VAL 73 4.001 -1.541 -5.821 596 HG11 VAL 73 1HG1 VAL 73 5.368 -3.517 -6.297 597 HG12 VAL 73 2HG1 VAL 73 4.744 -2.802 -7.814 598 HG13 VAL 73 3HG1 VAL 73 6.437 -2.587 -7.332 599 HG21 VAL 73 3HG2 VAL 73 5.590 -0.515 -4.302 600 HG22 VAL 73 1HG2 VAL 73 5.920 -2.233 -4.403 601 HG23 VAL 73 2HG2 VAL 73 6.957 -1.087 -5.278 602 H SER 74 H SER 74 7.269 0.862 -6.467 603 HA SER 74 HA SER 74 8.555 0.888 -9.066 604 HB2 SER 74 2HB SER 74 9.133 2.508 -7.300 605 HB3 SER 74 3HB SER 74 9.609 1.183 -6.217 606 HG SER 74 HG SER 74 11.311 2.314 -7.510 607 H GLU 75 H GLU 75 10.486 -0.309 -9.473 608 HA GLU 75 HA GLU 75 10.268 -3.122 -9.207 609 HB2 GLU 75 2HB GLU 75 12.750 -1.432 -9.766 610 HB3 GLU 75 3HB GLU 75 12.601 -3.176 -9.998 611 HG2 GLU 75 2HG GLU 75 12.220 -2.438 -12.140 612 HG3 GLU 75 3HG GLU 75 10.570 -2.595 -11.544 613 H ASP 76 H ASP 76 11.508 -0.696 -6.966 614 HA ASP 76 HA ASP 76 13.178 -2.536 -5.476 615 HB2 ASP 76 2HB ASP 76 13.274 0.062 -5.605 616 HB3 ASP 76 3HB ASP 76 11.969 0.037 -4.412 617 H GLY 77 H GLY 77 9.740 -1.900 -5.610 618 HA2 GLY 77 2HA GLY 77 8.000 -2.864 -4.367 619 HA3 GLY 77 3HA GLY 77 9.180 -3.752 -3.414 620 H LYS 78 H LYS 78 10.503 -0.870 -2.978 621 HA LYS 78 HA LYS 78 9.049 -0.555 -0.440 622 HB2 LYS 78 2HB LYS 78 11.669 0.633 -1.439 623 HB3 LYS 78 3HB LYS 78 10.958 0.918 0.157 624 HG2 LYS 78 2HG LYS 78 10.852 -1.604 0.461 625 HG3 LYS 78 3HG LYS 78 11.882 -1.759 -0.962 626 HD2 LYS 78 2HD LYS 78 13.714 -0.682 0.146 627 HD3 LYS 78 3HD LYS 78 12.656 0.016 1.390 628 HE2 LYS 78 2HE LYS 78 13.894 -1.901 2.307 629 HE3 LYS 78 3HE LYS 78 12.141 -2.165 2.305 630 HZ1 LYS 78 3HZ LYS 78 12.391 -3.471 0.305 631 HZ2 LYS 78 1HZ LYS 78 14.007 -3.218 0.274 632 HZ3 LYS 78 2HZ LYS 78 13.333 -4.098 1.504 633 H MET 79 H MET 79 8.505 0.838 -3.455 634 HA MET 79 HA MET 79 7.063 2.883 -1.934 635 HB2 MET 79 2HB MET 79 9.051 3.536 -4.180 636 HB3 MET 79 3HB MET 79 7.675 4.574 -3.822 637 HG2 MET 79 2HG MET 79 9.199 5.595 -2.509 638 HG3 MET 79 3HG MET 79 8.577 4.450 -1.340 639 HE1 MET 79 3HE MET 79 12.034 4.341 0.071 640 HE2 MET 79 1HE MET 79 10.787 5.584 -0.195 641 HE3 MET 79 2HE MET 79 10.322 3.960 0.360 642 H VAL 80 H VAL 80 5.090 3.450 -2.812 643 HA VAL 80 HA VAL 80 4.455 2.370 -5.453 644 HB VAL 80 HB VAL 80 3.698 0.613 -4.026 645 HG11 VAL 80 1HG1 VAL 80 2.493 2.744 -2.245 646 HG12 VAL 80 2HG1 VAL 80 2.185 1.012 -2.069 647 HG13 VAL 80 3HG1 VAL 80 3.822 1.634 -1.828 648 HG21 VAL 80 3HG2 VAL 80 1.267 2.379 -4.452 649 HG22 VAL 80 1HG2 VAL 80 2.034 1.376 -5.710 650 HG23 VAL 80 2HG2 VAL 80 1.303 0.615 -4.287 651 H ARG 81 H ARG 81 2.992 3.560 -6.540 652 HA ARG 81 HA ARG 81 2.321 6.178 -5.275 653 HB2 ARG 81 2HB ARG 81 2.658 7.223 -7.444 654 HB3 ARG 81 3HB ARG 81 4.103 6.339 -6.965 655 HG2 ARG 81 2HG ARG 81 2.553 4.490 -8.510 656 HG3 ARG 81 3HG ARG 81 2.396 6.036 -9.325 657 HD2 ARG 81 2HD ARG 81 5.150 5.844 -8.741 658 HD3 ARG 81 3HD ARG 81 4.664 4.174 -9.078 659 HE ARG 81 HE ARG 81 3.699 6.151 -10.994 660 HH11 ARG 81 2HH2 ARG 81 6.337 3.941 -10.200 661 HH12 ARG 81 1HH2 ARG 81 7.054 3.954 -11.770 662 HH21 ARG 81 2HH1 ARG 81 4.645 6.222 -13.108 663 HH22 ARG 81 1HH1 ARG 81 6.055 5.295 -13.467 664 H ARG 82 H ARG 82 0.280 6.863 -5.343 665 HA ARG 82 HA ARG 82 -1.744 4.991 -6.368 666 HB2 ARG 82 2HB ARG 82 -3.326 6.466 -5.199 667 HB3 ARG 82 3HB ARG 82 -1.966 6.047 -4.180 668 HG2 ARG 82 2HG ARG 82 -1.924 8.190 -3.703 669 HG3 ARG 82 3HG ARG 82 -0.976 8.391 -5.161 670 HD2 ARG 82 2HD ARG 82 -2.636 9.520 -6.241 671 HD3 ARG 82 3HD ARG 82 -3.922 8.516 -5.564 672 HE ARG 82 HE ARG 82 -3.921 9.738 -3.571 673 HH11 ARG 82 2HH2 ARG 82 -1.588 11.117 -5.828 674 HH12 ARG 82 1HH2 ARG 82 -1.423 12.613 -4.982 675 HH21 ARG 82 2HH1 ARG 82 -3.666 11.620 -2.422 676 HH22 ARG 82 1HH1 ARG 82 -2.755 12.969 -3.026 677 H LEU 83 H LEU 83 -3.780 6.461 -7.310 678 HA LEU 83 HA LEU 83 -2.782 7.324 -9.928 679 HB2 LEU 83 2HB LEU 83 -5.379 6.434 -8.703 680 HB3 LEU 83 3HB LEU 83 -5.520 7.585 -10.016 681 HG LEU 83 HG LEU 83 -3.842 5.078 -10.327 682 HD11 LEU 83 1HD1 LEU 83 -6.799 5.479 -10.964 683 HD12 LEU 83 2HD1 LEU 83 -5.821 4.044 -11.370 684 HD13 LEU 83 3HD1 LEU 83 -6.125 4.456 -9.668 685 HD21 LEU 83 3HD2 LEU 83 -5.252 6.916 -12.319 686 HD22 LEU 83 1HD2 LEU 83 -3.502 6.874 -12.008 687 HD23 LEU 83 2HD2 LEU 83 -4.305 5.470 -12.726 688 H ASP 84 H ASP 84 -2.823 9.438 -10.622 689 HA ASP 84 HA ASP 84 -2.944 11.640 -9.022 690 HB2 ASP 84 2HB ASP 84 -3.223 11.137 -11.948 691 HB3 ASP 84 3HB ASP 84 -3.789 12.709 -11.373 692 HA PRO 85 HA PRO 85 -7.515 12.588 -9.758 693 HB2 PRO 85 2HB PRO 85 -9.236 10.756 -10.858 694 HB3 PRO 85 3HB PRO 85 -8.264 11.892 -11.847 695 HG2 PRO 85 2HG PRO 85 -7.606 9.012 -11.147 696 HG3 PRO 85 3HG PRO 85 -7.586 9.784 -12.766 697 HD2 PRO 85 2HD PRO 85 -5.323 9.507 -11.311 698 HD3 PRO 85 3HD PRO 85 -5.611 10.996 -12.257 699 H LEU 86 H LEU 86 -9.044 12.327 -8.090 700 HA LEU 86 HA LEU 86 -8.271 10.530 -6.026 701 HB2 LEU 86 2HB LEU 86 -10.436 12.568 -6.394 702 HB3 LEU 86 3HB LEU 86 -10.843 11.241 -5.321 703 HG LEU 86 HG LEU 86 -8.562 11.665 -4.157 704 HD11 LEU 86 1HD1 LEU 86 -8.957 14.357 -5.536 705 HD12 LEU 86 2HD1 LEU 86 -7.756 13.982 -4.281 706 HD13 LEU 86 3HD1 LEU 86 -7.641 13.207 -5.872 707 HD21 LEU 86 3HD2 LEU 86 -9.587 13.381 -2.713 708 HD22 LEU 86 1HD2 LEU 86 -10.841 13.671 -3.944 709 HD23 LEU 86 2HD2 LEU 86 -10.735 12.098 -3.123 710 HA PRO 87 HA PRO 87 -10.499 6.893 -6.992 711 HB2 PRO 87 2HB PRO 87 -10.962 5.814 -4.512 712 HB3 PRO 87 3HB PRO 87 -9.322 5.948 -5.219 713 HG2 PRO 87 2HG PRO 87 -10.638 7.777 -3.194 714 HG3 PRO 87 3HG PRO 87 -8.953 7.164 -3.209 715 HD2 PRO 87 2HD PRO 87 -9.636 9.640 -4.112 716 HD3 PRO 87 3HD PRO 87 -8.256 8.701 -4.766 717 H GLU 88 H GLU 88 -12.622 6.036 -7.136 718 HA GLU 88 HA GLU 88 -14.810 7.544 -5.786 719 HB2 GLU 88 2HB GLU 88 -14.536 6.694 -8.697 720 HB3 GLU 88 3HB GLU 88 -16.097 7.050 -7.937 721 HG2 GLU 88 2HG GLU 88 -15.340 9.327 -7.381 722 HG3 GLU 88 3HG GLU 88 -13.774 9.007 -8.145 723 H ASN 89 H ASN 89 -14.835 5.872 -4.201 724 HA ASN 89 HA ASN 89 -15.382 3.868 -3.270 725 HB2 ASN 89 2HB ASN 89 -17.353 3.768 -5.570 726 HB3 ASN 89 3HB ASN 89 -17.469 2.890 -4.046 727 HD21 ASN 89 1HD2 ASN 89 -19.089 5.243 -5.462 728 HD22 ASN 89 2HD2 ASN 89 -19.307 6.346 -4.108 729 H ILE 90 H ILE 90 -13.121 3.275 -4.373 730 HA ILE 90 HA ILE 90 -13.649 0.966 -6.170 731 HB ILE 90 HB ILE 90 -11.122 2.538 -5.594 732 HG12 ILE 90 2HG1 ILE 90 -12.729 3.783 -6.994 733 HG13 ILE 90 3HG1 ILE 90 -11.261 3.371 -7.862 734 HG21 ILE 90 1HG2 ILE 90 -11.597 0.079 -7.309 735 HG22 ILE 90 2HG2 ILE 90 -10.255 1.197 -7.623 736 HG23 ILE 90 3HG2 ILE 90 -10.359 0.351 -6.073 737 HD11 ILE 90 3HD1 ILE 90 -13.223 3.038 -9.289 738 HD12 ILE 90 1HD1 ILE 90 -12.447 1.476 -8.975 739 HD13 ILE 90 2HD1 ILE 90 -13.938 1.924 -8.117 740 H ASP 91 H ASP 91 -13.590 -1.023 -5.332 741 HA ASP 91 HA ASP 91 -11.611 -1.955 -3.536 742 HB2 ASP 91 2HB ASP 91 -13.112 -2.624 -1.702 743 HB3 ASP 91 3HB ASP 91 -13.007 -0.878 -1.822 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -2.235 -16.364 -1.889 2 H2 MET 1 H2 MET 1 -0.666 -15.997 -1.522 3 H3 MET 1 H3 MET 1 -1.406 -15.278 -2.809 4 HA MET 1 HA MET 1 0.100 -16.927 -3.567 5 HB2 MET 1 2HB MET 1 -1.317 -18.579 -1.528 6 HB3 MET 1 3HB MET 1 -1.030 -19.364 -3.092 7 HG2 MET 1 2HG MET 1 1.349 -18.643 -3.003 8 HG3 MET 1 3HG MET 1 1.087 -18.054 -1.355 9 HE1 MET 1 1HE MET 1 3.180 -20.286 -2.665 10 HE2 MET 1 2HE MET 1 3.335 -19.705 -0.989 11 HE3 MET 1 3HE MET 1 3.279 -21.451 -1.328 12 H SER 2 H SER 2 -3.397 -18.070 -3.249 13 HA SER 2 HA SER 2 -3.476 -18.095 -6.162 14 HB2 SER 2 2HB SER 2 -4.829 -19.629 -4.629 15 HB3 SER 2 3HB SER 2 -5.859 -18.215 -4.282 16 HG SER 2 HG SER 2 -6.175 -19.769 -6.274 17 H GLU 3 H GLU 3 -5.384 -16.859 -7.172 18 HA GLU 3 HA GLU 3 -4.767 -14.073 -6.919 19 HB2 GLU 3 2HB GLU 3 -6.772 -15.694 -8.504 20 HB3 GLU 3 3HB GLU 3 -7.066 -13.963 -8.343 21 HG2 GLU 3 2HG GLU 3 -4.534 -15.224 -9.449 22 HG3 GLU 3 3HG GLU 3 -5.813 -14.442 -10.389 23 H GLU 4 H GLU 4 -7.405 -16.048 -5.528 24 HA GLU 4 HA GLU 4 -8.952 -13.834 -4.636 25 HB2 GLU 4 2HB GLU 4 -8.504 -16.609 -3.480 26 HB3 GLU 4 3HB GLU 4 -9.675 -15.460 -2.802 27 HG2 GLU 4 2HG GLU 4 -10.939 -15.375 -4.848 28 HG3 GLU 4 3HG GLU 4 -9.701 -16.266 -5.740 29 H THR 5 H THR 5 -6.166 -15.497 -3.005 30 HA THR 5 HA THR 5 -6.324 -13.789 -0.709 31 HB THR 5 HB THR 5 -3.724 -15.003 -1.633 32 HG1 THR 5 1HG THR 5 -5.913 -16.511 -0.685 33 HG21 THR 5 1HG2 THR 5 -3.541 -15.602 0.761 34 HG22 THR 5 2HG2 THR 5 -3.836 -13.864 0.553 35 HG23 THR 5 3HG2 THR 5 -5.159 -14.931 1.058 36 H SER 6 H SER 6 -4.315 -13.705 -3.686 37 HA SER 6 HA SER 6 -2.690 -11.530 -2.867 38 HB2 SER 6 2HB SER 6 -2.466 -13.213 -4.865 39 HB3 SER 6 3HB SER 6 -3.439 -12.031 -5.761 40 HG SER 6 HG SER 6 -0.823 -11.978 -5.002 41 H THR 7 H THR 7 -5.681 -11.675 -4.669 42 HA THR 7 HA THR 7 -6.087 -8.904 -5.081 43 HB THR 7 HB THR 7 -8.028 -11.218 -5.299 44 HG1 THR 7 1HG THR 7 -6.412 -11.339 -6.889 45 HG21 THR 7 1HG2 THR 7 -8.272 -8.344 -6.264 46 HG22 THR 7 2HG2 THR 7 -9.324 -9.684 -6.757 47 HG23 THR 7 3HG2 THR 7 -9.320 -9.155 -5.069 48 H GLN 8 H GLN 8 -7.044 -10.987 -2.354 49 HA GLN 8 HA GLN 8 -8.792 -9.051 -1.118 50 HB2 GLN 8 2HB GLN 8 -6.911 -11.189 -0.048 51 HB3 GLN 8 3HB GLN 8 -7.761 -10.113 1.022 52 HG2 GLN 8 2HG GLN 8 -9.320 -11.657 -1.070 53 HG3 GLN 8 3HG GLN 8 -8.815 -12.439 0.432 54 HE21 GLN 8 1HE2 GLN 8 -11.156 -10.261 -0.999 55 HE22 GLN 8 2HE2 GLN 8 -11.962 -9.905 0.525 56 H ILE 9 H ILE 9 -5.259 -9.472 -1.250 57 HA ILE 9 HA ILE 9 -4.881 -7.361 0.717 58 HB ILE 9 HB ILE 9 -2.822 -8.660 -1.102 59 HG12 ILE 9 2HG1 ILE 9 -3.202 -9.447 1.798 60 HG13 ILE 9 3HG1 ILE 9 -4.231 -10.203 0.587 61 HG21 ILE 9 1HG2 ILE 9 -1.246 -7.933 0.699 62 HG22 ILE 9 2HG2 ILE 9 -2.087 -6.547 -0.010 63 HG23 ILE 9 3HG2 ILE 9 -2.611 -7.190 1.561 64 HD11 ILE 9 3HD1 ILE 9 -2.240 -10.890 -0.710 65 HD12 ILE 9 1HD1 ILE 9 -1.200 -10.223 0.563 66 HD13 ILE 9 2HD1 ILE 9 -2.287 -11.590 0.913 67 H LEU 10 H LEU 10 -4.711 -7.754 -2.788 68 HA LEU 10 HA LEU 10 -3.527 -5.324 -3.554 69 HB2 LEU 10 2HB LEU 10 -4.589 -7.593 -4.793 70 HB3 LEU 10 3HB LEU 10 -5.712 -6.347 -5.306 71 HG LEU 10 HG LEU 10 -3.349 -5.097 -5.783 72 HD11 LEU 10 1HD1 LEU 10 -2.140 -7.049 -4.837 73 HD12 LEU 10 2HD1 LEU 10 -2.767 -8.074 -6.140 74 HD13 LEU 10 3HD1 LEU 10 -1.690 -6.721 -6.523 75 HD21 LEU 10 3HD2 LEU 10 -3.643 -5.750 -8.113 76 HD22 LEU 10 1HD2 LEU 10 -4.402 -7.286 -7.657 77 HD23 LEU 10 2HD2 LEU 10 -5.271 -5.770 -7.422 78 H LYS 11 H LYS 11 -6.930 -6.252 -3.234 79 HA LYS 11 HA LYS 11 -7.973 -3.614 -3.758 80 HB2 LYS 11 2HB LYS 11 -9.275 -6.073 -2.520 81 HB3 LYS 11 3HB LYS 11 -10.147 -4.633 -3.047 82 HG2 LYS 11 2HG LYS 11 -8.425 -6.313 -4.929 83 HG3 LYS 11 3HG LYS 11 -10.136 -6.626 -4.665 84 HD2 LYS 11 2HD LYS 11 -9.086 -3.943 -5.632 85 HD3 LYS 11 3HD LYS 11 -9.504 -5.266 -6.723 86 HE2 LYS 11 2HE LYS 11 -11.798 -5.320 -5.905 87 HE3 LYS 11 3HE LYS 11 -11.432 -4.081 -4.687 88 HZ1 LYS 11 3HZ LYS 11 -11.241 -3.652 -7.601 89 HZ2 LYS 11 1HZ LYS 11 -12.479 -3.131 -6.632 90 HZ3 LYS 11 2HZ LYS 11 -10.960 -2.547 -6.425 91 H GLN 12 H GLN 12 -6.768 -5.246 -0.865 92 HA GLN 12 HA GLN 12 -7.964 -3.265 0.887 93 HB2 GLN 12 2HB GLN 12 -5.988 -5.496 1.243 94 HB3 GLN 12 3HB GLN 12 -6.084 -4.220 2.447 95 HG2 GLN 12 2HG GLN 12 -8.461 -5.870 1.524 96 HG3 GLN 12 3HG GLN 12 -7.555 -6.127 3.022 97 HE21 GLN 12 1HE2 GLN 12 -10.379 -4.795 1.906 98 HE22 GLN 12 2HE2 GLN 12 -10.545 -3.473 3.048 99 H VAL 13 H VAL 13 -4.952 -3.494 -0.971 100 HA VAL 13 HA VAL 13 -3.661 -1.317 0.448 101 HB VAL 13 HB VAL 13 -3.206 -2.806 -2.147 102 HG11 VAL 13 1HG1 VAL 13 -2.376 -0.511 -2.550 103 HG12 VAL 13 2HG1 VAL 13 -1.488 -0.546 -1.014 104 HG13 VAL 13 3HG1 VAL 13 -1.022 -1.627 -2.349 105 HG21 VAL 13 3HG2 VAL 13 -1.513 -2.576 0.381 106 HG22 VAL 13 1HG2 VAL 13 -2.645 -3.895 0.067 107 HG23 VAL 13 2HG2 VAL 13 -1.242 -3.676 -0.990 108 H GLU 14 H GLU 14 -5.467 -1.653 -2.694 109 HA GLU 14 HA GLU 14 -5.427 1.140 -3.169 110 HB2 GLU 14 2HB GLU 14 -6.925 0.814 -4.895 111 HB3 GLU 14 3HB GLU 14 -6.155 -0.778 -4.781 112 HG2 GLU 14 2HG GLU 14 -8.102 -1.502 -3.359 113 HG3 GLU 14 3HG GLU 14 -8.872 0.066 -3.639 114 H TYR 15 H TYR 15 -7.569 -0.827 -1.101 115 HA TYR 15 HA TYR 15 -9.672 0.983 -0.827 116 HB2 TYR 15 2HB TYR 15 -10.170 -1.112 -0.041 117 HB3 TYR 15 3HB TYR 15 -8.563 -1.350 0.622 118 HD1 TYR 15 HD2 TYR 15 -11.811 0.294 1.296 119 HD2 TYR 15 HD1 TYR 15 -7.931 -0.829 2.818 120 HE1 TYR 15 HE2 TYR 15 -12.455 1.100 3.528 121 HE2 TYR 15 HE1 TYR 15 -8.517 0.046 5.011 122 HH TYR 15 HH TYR 15 -11.474 1.916 5.511 123 H TYR 16 H TYR 16 -6.595 0.713 1.056 124 HA TYR 16 HA TYR 16 -7.291 2.831 2.840 125 HB2 TYR 16 2HB TYR 16 -4.753 1.434 2.112 126 HB3 TYR 16 3HB TYR 16 -4.642 3.004 2.894 127 HD1 TYR 16 HD2 TYR 16 -6.050 3.423 5.007 128 HD2 TYR 16 HD1 TYR 16 -5.173 -0.507 3.462 129 HE1 TYR 16 HE2 TYR 16 -6.404 2.497 7.255 130 HE2 TYR 16 HE1 TYR 16 -5.526 -1.455 5.746 131 HH TYR 16 HH TYR 16 -6.226 0.569 8.574 132 H PHE 17 H PHE 17 -6.127 3.038 -0.479 133 HA PHE 17 HA PHE 17 -5.943 5.994 -0.220 134 HB2 PHE 17 2HB PHE 17 -5.178 4.114 -2.479 135 HB3 PHE 17 3HB PHE 17 -4.972 5.864 -2.496 136 HD1 PHE 17 2HD PHE 17 -3.428 6.989 -0.810 137 HD2 PHE 17 1HD PHE 17 -3.596 2.706 -1.323 138 HE1 PHE 17 2HE PHE 17 -1.336 6.751 0.469 139 HE2 PHE 17 1HE PHE 17 -1.512 2.469 -0.003 140 HZ PHE 17 HZ PHE 17 -0.406 4.497 0.933 141 H SER 18 H SER 18 -8.299 3.704 -0.953 142 HA SER 18 HA SER 18 -9.749 5.493 -2.798 143 HB2 SER 18 2HB SER 18 -9.120 3.181 -3.596 144 HB3 SER 18 3HB SER 18 -10.072 2.508 -2.264 145 HG SER 18 HG SER 18 -11.851 3.832 -3.264 146 H ASP 19 H ASP 19 -9.758 4.528 0.402 147 HA ASP 19 HA ASP 19 -12.649 4.950 0.818 148 HB2 ASP 19 2HB ASP 19 -11.366 2.995 1.630 149 HB3 ASP 19 3HB ASP 19 -10.289 4.070 2.530 150 H SER 20 H SER 20 -10.327 6.953 0.169 151 HA SER 20 HA SER 20 -9.255 8.792 0.944 152 HB2 SER 20 2HB SER 20 -12.046 9.369 1.988 153 HB3 SER 20 3HB SER 20 -10.752 10.571 1.732 154 HG SER 20 HG SER 20 -12.010 8.916 -0.195 155 H ASN 21 H ASN 21 -8.977 6.482 2.695 156 HA ASN 21 HA ASN 21 -9.009 7.665 5.375 157 HB2 ASN 21 2HB ASN 21 -8.836 4.973 4.347 158 HB3 ASN 21 3HB ASN 21 -7.419 5.295 5.348 159 HD21 ASN 21 1HD2 ASN 21 -10.186 3.767 5.680 160 HD22 ASN 21 2HD2 ASN 21 -10.513 4.153 7.346 161 H PHE 22 H PHE 22 -6.635 7.312 2.668 162 HA PHE 22 HA PHE 22 -4.347 7.454 4.190 163 HB2 PHE 22 2HB PHE 22 -3.563 7.185 2.145 164 HB3 PHE 22 3HB PHE 22 -5.050 7.777 1.415 165 HD1 PHE 22 2HD PHE 22 -1.736 8.894 2.783 166 HD2 PHE 22 1HD PHE 22 -5.191 9.903 0.433 167 HE1 PHE 22 2HE PHE 22 -0.675 11.025 2.128 168 HE2 PHE 22 1HE PHE 22 -4.179 12.067 -0.142 169 HZ PHE 22 HZ PHE 22 -1.874 12.631 0.669 170 HA PRO 23 HA PRO 23 -4.168 12.080 4.254 171 HB2 PRO 23 2HB PRO 23 -6.393 13.689 4.051 172 HB3 PRO 23 3HB PRO 23 -5.452 13.126 2.633 173 HG2 PRO 23 2HG PRO 23 -8.056 12.051 3.708 174 HG3 PRO 23 3HG PRO 23 -7.546 12.267 2.004 175 HD2 PRO 23 2HD PRO 23 -7.437 9.903 3.475 176 HD3 PRO 23 3HD PRO 23 -6.501 10.197 2.002 177 H ARG 24 H ARG 24 -6.831 10.300 5.612 178 HA ARG 24 HA ARG 24 -7.223 11.965 7.974 179 HB2 ARG 24 2HB ARG 24 -8.987 10.728 6.572 180 HB3 ARG 24 3HB ARG 24 -8.339 9.227 7.213 181 HG2 ARG 24 2HG ARG 24 -8.938 11.076 9.403 182 HG3 ARG 24 3HG ARG 24 -10.321 10.934 8.304 183 HD2 ARG 24 2HD ARG 24 -9.925 8.387 8.404 184 HD3 ARG 24 3HD ARG 24 -8.917 8.717 9.830 185 HE ARG 24 HE ARG 24 -11.274 10.056 10.324 186 HH11 ARG 24 2HH2 ARG 24 -10.446 6.732 9.450 187 HH12 ARG 24 1HH2 ARG 24 -11.798 6.007 10.251 188 HH21 ARG 24 2HH1 ARG 24 -13.183 9.131 11.287 189 HH22 ARG 24 1HH1 ARG 24 -13.426 7.423 11.281 190 H ASP 25 H ASP 25 -5.496 9.028 7.017 191 HA ASP 25 HA ASP 25 -4.931 8.251 9.809 192 HB2 ASP 25 2HB ASP 25 -5.003 6.896 7.155 193 HB3 ASP 25 3HB ASP 25 -3.652 6.423 8.189 194 H LYS 26 H LYS 26 -3.486 9.727 10.454 195 HA LYS 26 HA LYS 26 -1.465 10.919 8.951 196 HB2 LYS 26 2HB LYS 26 -0.587 11.749 10.986 197 HB3 LYS 26 3HB LYS 26 -2.323 11.556 11.252 198 HG2 LYS 26 2HG LYS 26 -1.556 9.138 12.156 199 HG3 LYS 26 3HG LYS 26 -0.004 9.973 12.353 200 HD2 LYS 26 2HD LYS 26 -1.443 11.796 13.600 201 HD3 LYS 26 3HD LYS 26 -2.680 10.515 13.658 202 HE2 LYS 26 2HE LYS 26 -0.587 9.055 14.496 203 HE3 LYS 26 3HE LYS 26 0.059 10.641 14.935 204 HZ1 LYS 26 3HZ LYS 26 -1.114 9.703 16.770 205 HZ2 LYS 26 1HZ LYS 26 -2.000 10.981 16.227 206 HZ3 LYS 26 2HZ LYS 26 -2.468 9.439 15.877 207 H PHE 27 H PHE 27 -1.534 7.700 10.142 208 HA PHE 27 HA PHE 27 1.203 6.918 10.117 209 HB2 PHE 27 2HB PHE 27 -0.742 5.608 10.950 210 HB3 PHE 27 3HB PHE 27 -1.349 5.446 9.309 211 HD1 PHE 27 2HD PHE 27 1.867 4.938 11.198 212 HD2 PHE 27 1HD PHE 27 -0.847 3.401 8.213 213 HE1 PHE 27 2HE PHE 27 3.283 2.952 10.940 214 HE2 PHE 27 1HE PHE 27 0.576 1.381 7.976 215 HZ PHE 27 HZ PHE 27 2.620 1.136 9.347 216 H LEU 28 H LEU 28 -1.297 6.863 7.525 217 HA LEU 28 HA LEU 28 0.550 6.027 5.446 218 HB2 LEU 28 2HB LEU 28 -2.173 7.375 5.444 219 HB3 LEU 28 3HB LEU 28 -1.287 7.067 3.955 220 HG LEU 28 HG LEU 28 -1.515 4.745 5.814 221 HD11 LEU 28 1HD1 LEU 28 -3.787 4.287 5.476 222 HD12 LEU 28 2HD1 LEU 28 -3.810 5.994 5.677 223 HD13 LEU 28 3HD1 LEU 28 -3.905 5.323 4.037 224 HD21 LEU 28 3HD2 LEU 28 -1.188 3.557 3.819 225 HD22 LEU 28 1HD2 LEU 28 -2.124 4.722 2.862 226 HD23 LEU 28 2HD2 LEU 28 -0.448 5.067 3.363 227 H ARG 29 H ARG 29 -0.965 9.119 6.292 228 HA ARG 29 HA ARG 29 0.262 10.694 4.398 229 HB2 ARG 29 2HB ARG 29 -1.654 11.268 5.981 230 HB3 ARG 29 3HB ARG 29 -0.405 11.743 7.154 231 HG2 ARG 29 2HG ARG 29 0.515 13.354 5.505 232 HG3 ARG 29 3HG ARG 29 -0.694 12.840 4.314 233 HD2 ARG 29 2HD ARG 29 -2.514 13.619 5.741 234 HD3 ARG 29 3HD ARG 29 -1.389 14.034 7.036 235 HE ARG 29 HE ARG 29 -2.017 15.553 4.658 236 HH11 ARG 29 2HH2 ARG 29 0.516 14.970 7.042 237 HH12 ARG 29 1HH2 ARG 29 1.281 16.509 6.868 238 HH21 ARG 29 2HH1 ARG 29 -1.002 17.632 4.378 239 HH22 ARG 29 1HH1 ARG 29 0.390 18.055 5.304 240 H SER 30 H SER 30 1.715 9.566 7.442 241 HA SER 30 HA SER 30 3.921 11.387 7.502 242 HB2 SER 30 2HB SER 30 3.247 9.894 9.386 243 HB3 SER 30 3HB SER 30 3.720 8.476 8.431 244 HG SER 30 HG SER 30 5.826 9.107 8.544 245 H GLU 31 H GLU 31 3.436 8.176 5.929 246 HA GLU 31 HA GLU 31 6.196 8.185 4.985 247 HB2 GLU 31 2HB GLU 31 4.604 6.225 5.641 248 HB3 GLU 31 3HB GLU 31 3.972 6.369 4.004 249 HG2 GLU 31 2HG GLU 31 5.710 4.671 4.118 250 HG3 GLU 31 3HG GLU 31 6.257 6.021 3.104 251 H ALA 32 H ALA 32 2.965 8.781 3.653 252 HA ALA 32 HA ALA 32 3.633 9.204 0.942 253 HB1 ALA 32 1HB ALA 32 1.517 10.421 2.752 254 HB2 ALA 32 2HB ALA 32 1.478 10.501 0.995 255 HB3 ALA 32 3HB ALA 32 1.348 8.929 1.793 256 H ALA 33 H ALA 33 3.875 11.324 3.815 257 HA ALA 33 HA ALA 33 4.483 13.731 2.429 258 HB1 ALA 33 1HB ALA 33 3.681 13.758 4.722 259 HB2 ALA 33 2HB ALA 33 5.104 12.847 5.281 260 HB3 ALA 33 3HB ALA 33 5.284 14.502 4.664 261 H LYS 34 H LYS 34 6.408 10.972 2.329 262 HA LYS 34 HA LYS 34 8.931 12.533 2.199 263 HB2 LYS 34 2HB LYS 34 8.233 9.689 2.359 264 HB3 LYS 34 3HB LYS 34 9.238 9.998 0.956 265 HG2 LYS 34 2HG LYS 34 10.653 9.430 2.767 266 HG3 LYS 34 3HG LYS 34 10.909 11.142 2.435 267 HD2 LYS 34 2HD LYS 34 9.024 10.160 4.630 268 HD3 LYS 34 3HD LYS 34 10.766 10.361 4.880 269 HE2 LYS 34 2HE LYS 34 10.513 12.761 4.072 270 HE3 LYS 34 3HE LYS 34 8.757 12.529 4.167 271 HZ1 LYS 34 3HZ LYS 34 10.645 12.226 6.412 272 HZ2 LYS 34 1HZ LYS 34 9.631 13.501 6.169 273 HZ3 LYS 34 2HZ LYS 34 9.013 12.009 6.495 274 H ASN 35 H ASN 35 6.340 11.383 0.040 275 HA ASN 35 HA ASN 35 7.331 13.314 -1.915 276 HB2 ASN 35 2HB ASN 35 8.452 11.003 -2.375 277 HB3 ASN 35 3HB ASN 35 6.842 10.528 -2.948 278 HD21 ASN 35 1HD2 ASN 35 5.862 12.181 -4.721 279 HD22 ASN 35 2HD2 ASN 35 7.074 12.804 -5.809 280 H VAL 36 H VAL 36 5.195 13.898 -0.628 281 HA VAL 36 HA VAL 36 3.052 14.528 -0.872 282 HB VAL 36 HB VAL 36 3.775 13.902 -3.721 283 HG11 VAL 36 1HG1 VAL 36 0.959 14.491 -2.791 284 HG12 VAL 36 2HG1 VAL 36 1.568 14.833 -4.432 285 HG13 VAL 36 3HG1 VAL 36 1.540 13.175 -3.854 286 HG21 VAL 36 3HG2 VAL 36 2.774 16.382 -2.280 287 HG22 VAL 36 1HG2 VAL 36 4.482 15.984 -2.579 288 HG23 VAL 36 2HG2 VAL 36 3.394 16.294 -3.941 289 H ASP 37 H ASP 37 2.926 11.705 -2.949 290 HA ASP 37 HA ASP 37 1.907 9.896 -0.965 291 HB2 ASP 37 2HB ASP 37 -0.126 11.436 -1.512 292 HB3 ASP 37 3HB ASP 37 -0.163 10.626 -3.074 293 H ASN 38 H ASN 38 4.019 10.069 -2.888 294 HA ASN 38 HA ASN 38 3.311 7.949 -4.851 295 HB2 ASN 38 2HB ASN 38 5.627 9.896 -5.017 296 HB3 ASN 38 3HB ASN 38 5.077 8.787 -6.265 297 HD21 ASN 38 1HD2 ASN 38 2.214 9.320 -6.210 298 HD22 ASN 38 2HD2 ASN 38 2.061 10.966 -6.782 299 H TYR 39 H TYR 39 4.949 8.459 -1.927 300 HA TYR 39 HA TYR 39 6.868 6.257 -2.439 301 HB2 TYR 39 2HB TYR 39 7.295 8.940 -1.069 302 HB3 TYR 39 3HB TYR 39 8.170 7.512 -0.562 303 HD1 TYR 39 HD1 TYR 39 7.444 8.474 -4.161 304 HD2 TYR 39 HD2 TYR 39 10.380 8.096 -1.023 305 HE1 TYR 39 HE1 TYR 39 9.202 8.941 -5.780 306 HE2 TYR 39 HE2 TYR 39 12.174 8.531 -2.679 307 HH TYR 39 HH TYR 39 11.497 9.302 -6.095 308 H ILE 40 H ILE 40 6.136 4.603 -1.175 309 HA ILE 40 HA ILE 40 5.081 5.187 1.502 310 HB ILE 40 HB ILE 40 3.650 3.321 -0.420 311 HG12 ILE 40 2HG1 ILE 40 2.467 5.965 0.456 312 HG13 ILE 40 3HG1 ILE 40 3.355 5.843 -1.059 313 HG21 ILE 40 1HG2 ILE 40 1.950 3.264 1.371 314 HG22 ILE 40 2HG2 ILE 40 3.532 2.847 2.031 315 HG23 ILE 40 3HG2 ILE 40 2.868 4.469 2.296 316 HD11 ILE 40 3HD1 ILE 40 1.804 4.474 -2.099 317 HD12 ILE 40 1HD1 ILE 40 1.118 3.895 -0.591 318 HD13 ILE 40 2HD1 ILE 40 0.806 5.563 -1.155 319 H SER 41 H SER 41 6.717 3.991 2.658 320 HA SER 41 HA SER 41 8.173 1.969 1.401 321 HB2 SER 41 2HB SER 41 8.869 3.389 3.346 322 HB3 SER 41 3HB SER 41 7.874 2.326 4.383 323 HG SER 41 HG SER 41 10.251 1.821 3.836 324 H ILE 42 H ILE 42 8.112 -0.202 1.465 325 HA ILE 42 HA ILE 42 5.692 -1.631 1.987 326 HB ILE 42 HB ILE 42 7.262 -2.620 0.523 327 HG12 ILE 42 2HG1 ILE 42 7.363 -4.347 3.009 328 HG13 ILE 42 3HG1 ILE 42 5.863 -4.040 2.119 329 HG21 ILE 42 1HG2 ILE 42 9.222 -2.626 2.884 330 HG22 ILE 42 2HG2 ILE 42 9.507 -3.457 1.345 331 HG23 ILE 42 3HG2 ILE 42 9.395 -1.706 1.381 332 HD11 ILE 42 3HD1 ILE 42 6.920 -6.148 1.426 333 HD12 ILE 42 1HD1 ILE 42 6.812 -4.995 0.078 334 HD13 ILE 42 2HD1 ILE 42 8.364 -5.284 0.900 335 H ASP 43 H ASP 43 8.204 -0.388 4.165 336 HA ASP 43 HA ASP 43 7.596 -2.090 6.346 337 HB2 ASP 43 2HB ASP 43 8.544 0.797 6.222 338 HB3 ASP 43 3HB ASP 43 8.392 -0.123 7.725 339 H VAL 44 H VAL 44 5.927 0.919 5.180 340 HA VAL 44 HA VAL 44 4.226 1.061 7.498 341 HB VAL 44 HB VAL 44 4.707 2.559 4.982 342 HG11 VAL 44 1HG1 VAL 44 1.891 2.506 6.105 343 HG12 VAL 44 2HG1 VAL 44 2.548 3.728 4.992 344 HG13 VAL 44 3HG1 VAL 44 2.421 2.053 4.462 345 HG21 VAL 44 3HG2 VAL 44 4.124 4.425 6.584 346 HG22 VAL 44 1HG2 VAL 44 3.834 3.222 7.823 347 HG23 VAL 44 2HG2 VAL 44 5.461 3.390 7.118 348 H ILE 45 H ILE 45 3.894 -0.198 4.140 349 HA ILE 45 HA ILE 45 1.134 -0.898 4.582 350 HB ILE 45 HB ILE 45 2.989 -2.201 2.605 351 HG12 ILE 45 2HG1 ILE 45 1.356 0.033 1.507 352 HG13 ILE 45 3HG1 ILE 45 2.488 0.620 2.681 353 HG21 ILE 45 1HG2 ILE 45 0.014 -1.500 2.374 354 HG22 ILE 45 2HG2 ILE 45 0.963 -2.525 1.276 355 HG23 ILE 45 3HG2 ILE 45 0.609 -3.050 2.941 356 HD11 ILE 45 3HD1 ILE 45 4.091 0.604 1.111 357 HD12 ILE 45 1HD1 ILE 45 3.956 -1.147 0.948 358 HD13 ILE 45 2HD1 ILE 45 2.962 -0.087 -0.047 359 H ALA 46 H ALA 46 4.189 -2.608 5.126 360 HA ALA 46 HA ALA 46 2.917 -5.119 5.789 361 HB1 ALA 46 1HB ALA 46 5.697 -4.065 6.491 362 HB2 ALA 46 2HB ALA 46 5.144 -5.745 6.650 363 HB3 ALA 46 3HB ALA 46 5.290 -5.008 5.039 364 H SER 47 H SER 47 3.560 -2.087 7.422 365 HA SER 47 HA SER 47 2.898 -3.298 10.055 366 HB2 SER 47 2HB SER 47 4.942 -1.926 9.836 367 HB3 SER 47 3HB SER 47 3.954 -0.538 9.362 368 HG SER 47 HG SER 47 2.850 -0.850 11.420 369 H PHE 48 H PHE 48 1.051 -2.358 7.549 370 HA PHE 48 HA PHE 48 -0.694 -0.454 8.693 371 HB2 PHE 48 2HB PHE 48 -0.607 -2.137 6.352 372 HB3 PHE 48 3HB PHE 48 -2.207 -2.297 7.029 373 HD1 PHE 48 1HD PHE 48 -2.539 0.564 8.088 374 HD2 PHE 48 2HD PHE 48 -1.164 -1.144 4.366 375 HE1 PHE 48 1HE PHE 48 -3.323 2.561 6.875 376 HE2 PHE 48 2HE PHE 48 -1.978 0.857 3.147 377 HZ PHE 48 HZ PHE 48 -3.067 2.666 4.386 378 H ASN 49 H ASN 49 -0.140 -3.589 9.781 379 HA ASN 49 HA ASN 49 -1.127 -5.000 11.186 380 HB2 ASN 49 2HB ASN 49 -1.901 -2.908 12.410 381 HB3 ASN 49 3HB ASN 49 -3.468 -3.110 11.605 382 HD21 ASN 49 1HD2 ASN 49 -4.079 -3.305 14.048 383 HD22 ASN 49 2HD2 ASN 49 -3.984 -4.936 14.695 384 H ARG 50 H ARG 50 -3.970 -3.518 9.499 385 HA ARG 50 HA ARG 50 -5.260 -5.992 9.025 386 HB2 ARG 50 2HB ARG 50 -6.225 -3.665 8.903 387 HB3 ARG 50 3HB ARG 50 -5.471 -3.478 7.316 388 HG2 ARG 50 2HG ARG 50 -6.790 -5.439 6.480 389 HG3 ARG 50 3HG ARG 50 -7.486 -5.631 8.107 390 HD2 ARG 50 2HD ARG 50 -8.264 -3.200 7.905 391 HD3 ARG 50 3HD ARG 50 -7.804 -3.285 6.203 392 HE ARG 50 HE ARG 50 -9.595 -5.406 7.182 393 HH11 ARG 50 2HH2 ARG 50 -9.377 -2.490 5.258 394 HH12 ARG 50 1HH2 ARG 50 -11.065 -2.094 5.277 395 HH21 ARG 50 2HH1 ARG 50 -11.888 -5.223 6.849 396 HH22 ARG 50 1HH1 ARG 50 -12.531 -3.900 5.945 397 H MET 51 H MET 51 -2.781 -4.370 7.052 398 HA MET 51 HA MET 51 -3.112 -6.287 4.864 399 HB2 MET 51 2HB MET 51 -1.408 -3.907 5.313 400 HB3 MET 51 3HB MET 51 -0.563 -5.251 4.555 401 HG2 MET 51 2HG MET 51 -1.340 -4.263 2.692 402 HG3 MET 51 3HG MET 51 -2.664 -5.365 2.979 403 HE1 MET 51 3HE MET 51 -5.502 -3.029 4.192 404 HE2 MET 51 1HE MET 51 -4.805 -4.664 4.256 405 HE3 MET 51 2HE MET 51 -4.285 -3.417 5.422 406 H LYS 52 H LYS 52 -0.922 -5.926 7.707 407 HA LYS 52 HA LYS 52 0.798 -8.060 7.029 408 HB2 LYS 52 2HB LYS 52 1.102 -6.391 8.941 409 HB3 LYS 52 3HB LYS 52 -0.109 -7.280 9.838 410 HG2 LYS 52 2HG LYS 52 2.036 -8.004 10.603 411 HG3 LYS 52 3HG LYS 52 1.319 -9.340 9.706 412 HD2 LYS 52 2HD LYS 52 2.712 -8.656 7.699 413 HD3 LYS 52 3HD LYS 52 3.495 -7.438 8.713 414 HE2 LYS 52 2HE LYS 52 3.445 -10.445 9.239 415 HE3 LYS 52 3HE LYS 52 4.780 -9.572 8.474 416 HZ1 LYS 52 3HZ LYS 52 5.044 -8.300 10.497 417 HZ2 LYS 52 1HZ LYS 52 3.808 -9.114 11.221 418 HZ3 LYS 52 2HZ LYS 52 5.185 -9.911 10.806 419 H THR 53 H THR 53 -2.262 -8.027 8.783 420 HA THR 53 HA THR 53 -2.246 -10.813 9.474 421 HB THR 53 HB THR 53 -4.680 -10.265 10.048 422 HG1 THR 53 1HG THR 53 -4.006 -7.591 9.738 423 HG21 THR 53 1HG2 THR 53 -2.874 -10.067 11.706 424 HG22 THR 53 2HG2 THR 53 -2.439 -8.461 11.093 425 HG23 THR 53 3HG2 THR 53 -4.005 -8.711 11.898 426 H ILE 54 H ILE 54 -4.127 -8.900 7.024 427 HA ILE 54 HA ILE 54 -5.375 -11.232 5.954 428 HB ILE 54 HB ILE 54 -4.813 -8.535 4.696 429 HG12 ILE 54 2HG1 ILE 54 -6.298 -8.649 6.767 430 HG13 ILE 54 3HG1 ILE 54 -6.940 -7.846 5.332 431 HG21 ILE 54 1HG2 ILE 54 -6.638 -9.077 3.082 432 HG22 ILE 54 2HG2 ILE 54 -5.179 -10.043 2.849 433 HG23 ILE 54 3HG2 ILE 54 -6.574 -10.770 3.643 434 HD11 ILE 54 3HD1 ILE 54 -7.514 -10.734 6.052 435 HD12 ILE 54 1HD1 ILE 54 -8.558 -9.361 6.488 436 HD13 ILE 54 2HD1 ILE 54 -8.289 -9.758 4.781 437 H SER 55 H SER 55 -2.192 -9.862 5.328 438 HA SER 55 HA SER 55 -1.724 -11.641 3.028 439 HB2 SER 55 2HB SER 55 0.236 -9.939 4.635 440 HB3 SER 55 3HB SER 55 0.572 -10.756 3.097 441 HG SER 55 HG SER 55 -1.249 -8.658 3.600 442 H THR 56 H THR 56 -1.092 -11.636 6.492 443 HA THR 56 HA THR 56 -0.130 -13.088 7.889 444 HB THR 56 HB THR 56 -0.927 -15.006 5.686 445 HG1 THR 56 1HG THR 56 -2.445 -13.689 7.002 446 HG21 THR 56 1HG2 THR 56 0.014 -15.640 8.518 447 HG22 THR 56 2HG2 THR 56 -0.879 -16.764 7.472 448 HG23 THR 56 3HG2 THR 56 0.739 -16.222 6.999 449 H ASP 57 H ASP 57 1.503 -12.391 4.878 450 HA ASP 57 HA ASP 57 4.049 -13.209 6.019 451 HB2 ASP 57 2HB ASP 57 3.068 -15.164 4.754 452 HB3 ASP 57 3HB ASP 57 2.978 -14.139 3.317 453 H LEU 58 H LEU 58 5.635 -11.987 5.133 454 HA LEU 58 HA LEU 58 5.067 -9.372 3.967 455 HB2 LEU 58 2HB LEU 58 7.509 -10.922 4.808 456 HB3 LEU 58 3HB LEU 58 7.741 -9.643 3.621 457 HG LEU 58 HG LEU 58 6.137 -9.013 6.102 458 HD11 LEU 58 1HD1 LEU 58 9.180 -9.061 5.944 459 HD12 LEU 58 2HD1 LEU 58 8.221 -8.337 7.254 460 HD13 LEU 58 3HD1 LEU 58 8.163 -10.089 6.977 461 HD21 LEU 58 3HD2 LEU 58 8.083 -7.417 4.361 462 HD22 LEU 58 1HD2 LEU 58 6.316 -7.366 4.235 463 HD23 LEU 58 2HD2 LEU 58 7.121 -6.773 5.702 464 H GLN 59 H GLN 59 5.828 -12.521 2.769 465 HA GLN 59 HA GLN 59 6.774 -11.883 0.159 466 HB2 GLN 59 2HB GLN 59 6.919 -14.099 1.360 467 HB3 GLN 59 3HB GLN 59 5.175 -14.273 1.160 468 HG2 GLN 59 2HG GLN 59 6.315 -15.580 -0.543 469 HG3 GLN 59 3HG GLN 59 5.431 -14.258 -1.307 470 HE21 GLN 59 1HE2 GLN 59 6.753 -14.080 -3.205 471 HE22 GLN 59 2HE2 GLN 59 8.449 -13.624 -3.074 472 H LEU 60 H LEU 60 3.529 -12.563 1.526 473 HA LEU 60 HA LEU 60 2.099 -12.200 -0.970 474 HB2 LEU 60 2HB LEU 60 1.542 -12.782 1.920 475 HB3 LEU 60 3HB LEU 60 0.276 -11.905 1.095 476 HG LEU 60 HG LEU 60 1.556 -14.327 -0.197 477 HD11 LEU 60 1HD1 LEU 60 -0.813 -14.410 1.711 478 HD12 LEU 60 2HD1 LEU 60 -0.168 -15.776 0.759 479 HD13 LEU 60 3HD1 LEU 60 0.808 -15.042 2.035 480 HD21 LEU 60 3HD2 LEU 60 -0.410 -12.445 -0.991 481 HD22 LEU 60 1HD2 LEU 60 0.037 -13.917 -1.815 482 HD23 LEU 60 2HD2 LEU 60 -1.313 -13.908 -0.614 483 H ILE 61 H ILE 61 3.185 -10.062 1.637 484 HA ILE 61 HA ILE 61 1.498 -7.898 0.641 485 HB ILE 61 HB ILE 61 3.030 -8.313 2.939 486 HG12 ILE 61 2HG1 ILE 61 0.865 -7.160 2.667 487 HG13 ILE 61 3HG1 ILE 61 1.986 -6.285 3.706 488 HG21 ILE 61 1HG2 ILE 61 4.397 -6.279 3.197 489 HG22 ILE 61 2HG2 ILE 61 5.084 -7.390 2.010 490 HG23 ILE 61 3HG2 ILE 61 4.241 -5.928 1.469 491 HD11 ILE 61 3HD1 ILE 61 1.709 -5.612 0.744 492 HD12 ILE 61 1HD1 ILE 61 0.656 -4.940 1.970 493 HD13 ILE 61 2HD1 ILE 61 2.416 -4.625 2.039 494 H THR 62 H THR 62 4.733 -9.116 -0.037 495 HA THR 62 HA THR 62 5.560 -6.819 -1.613 496 HB THR 62 HB THR 62 6.598 -9.685 -1.436 497 HG1 THR 62 1HG THR 62 7.545 -7.214 -0.409 498 HG21 THR 62 1HG2 THR 62 7.289 -8.806 -3.604 499 HG22 THR 62 2HG2 THR 62 7.789 -7.265 -2.866 500 HG23 THR 62 3HG2 THR 62 8.671 -8.768 -2.500 501 H GLU 63 H GLU 63 4.065 -9.986 -2.296 502 HA GLU 63 HA GLU 63 4.099 -9.637 -5.138 503 HB2 GLU 63 2HB GLU 63 3.773 -11.841 -4.012 504 HB3 GLU 63 3HB GLU 63 2.203 -11.282 -3.396 505 HG2 GLU 63 2HG GLU 63 1.446 -10.926 -5.766 506 HG3 GLU 63 3HG GLU 63 3.010 -11.525 -6.329 507 H ALA 64 H ALA 64 1.752 -8.809 -2.570 508 HA ALA 64 HA ALA 64 -0.333 -8.064 -4.356 509 HB1 ALA 64 1HB ALA 64 -0.651 -8.225 -1.915 510 HB2 ALA 64 2HB ALA 64 0.329 -6.755 -1.689 511 HB3 ALA 64 3HB ALA 64 -1.226 -6.664 -2.569 512 H LEU 65 H LEU 65 2.449 -6.165 -3.098 513 HA LEU 65 HA LEU 65 1.656 -3.708 -4.391 514 HB2 LEU 65 2HB LEU 65 4.245 -4.746 -3.205 515 HB3 LEU 65 3HB LEU 65 4.126 -3.154 -3.958 516 HG LEU 65 HG LEU 65 2.206 -4.025 -1.764 517 HD11 LEU 65 1HD1 LEU 65 4.618 -4.104 -0.996 518 HD12 LEU 65 2HD1 LEU 65 4.721 -2.359 -1.352 519 HD13 LEU 65 3HD1 LEU 65 3.570 -2.981 -0.135 520 HD21 LEU 65 3HD2 LEU 65 1.501 -2.054 -3.115 521 HD22 LEU 65 1HD2 LEU 65 1.937 -1.575 -1.477 522 HD23 LEU 65 2HD2 LEU 65 3.080 -1.298 -2.812 523 H LYS 66 H LYS 66 3.729 -6.435 -5.251 524 HA LYS 66 HA LYS 66 4.901 -5.381 -7.613 525 HB2 LYS 66 2HB LYS 66 5.525 -7.539 -6.379 526 HB3 LYS 66 3HB LYS 66 4.158 -8.290 -7.227 527 HG2 LYS 66 2HG LYS 66 5.240 -7.368 -9.398 528 HG3 LYS 66 3HG LYS 66 6.666 -7.023 -8.410 529 HD2 LYS 66 2HD LYS 66 6.864 -9.422 -7.856 530 HD3 LYS 66 3HD LYS 66 5.340 -9.752 -8.724 531 HE2 LYS 66 2HE LYS 66 6.413 -8.696 -10.782 532 HE3 LYS 66 3HE LYS 66 7.949 -8.700 -9.905 533 HZ1 LYS 66 3HZ LYS 66 6.319 -11.080 -10.546 534 HZ2 LYS 66 1HZ LYS 66 7.704 -10.634 -11.309 535 HZ3 LYS 66 2HZ LYS 66 7.752 -11.105 -9.732 536 H LYS 67 H LYS 67 1.789 -6.934 -7.051 537 HA LYS 67 HA LYS 67 1.166 -6.828 -9.940 538 HB2 LYS 67 2HB LYS 67 1.125 -8.877 -8.149 539 HB3 LYS 67 3HB LYS 67 -0.519 -8.290 -7.915 540 HG2 LYS 67 2HG LYS 67 -0.963 -8.577 -10.332 541 HG3 LYS 67 3HG LYS 67 0.741 -9.026 -10.600 542 HD2 LYS 67 2HD LYS 67 0.511 -10.980 -9.143 543 HD3 LYS 67 3HD LYS 67 -1.172 -10.531 -8.762 544 HE2 LYS 67 2HE LYS 67 -1.818 -10.766 -11.086 545 HE3 LYS 67 3HE LYS 67 -0.141 -11.101 -11.574 546 HZ1 LYS 67 3HZ LYS 67 -1.670 -13.060 -11.237 547 HZ2 LYS 67 1HZ LYS 67 -0.251 -13.166 -10.350 548 HZ3 LYS 67 2HZ LYS 67 -1.718 -12.732 -9.698 549 H SER 68 H SER 68 0.961 -4.426 -8.004 550 HA SER 68 HA SER 68 -1.673 -4.165 -7.123 551 HB2 SER 68 2HB SER 68 0.549 -2.200 -7.715 552 HB3 SER 68 3HB SER 68 -1.044 -1.646 -7.164 553 HG SER 68 HG SER 68 0.231 -3.763 -5.839 554 H THR 69 H THR 69 -3.277 -2.659 -7.687 555 HA THR 69 HA THR 69 -3.905 -2.777 -10.581 556 HB THR 69 HB THR 69 -5.406 -4.134 -9.483 557 HG1 THR 69 1HG THR 69 -7.025 -3.126 -10.354 558 HG21 THR 69 1HG2 THR 69 -6.611 -3.736 -7.422 559 HG22 THR 69 2HG2 THR 69 -4.899 -3.568 -7.061 560 HG23 THR 69 3HG2 THR 69 -5.928 -2.147 -7.217 561 H ARG 70 H ARG 70 -5.132 -0.673 -7.908 562 HA ARG 70 HA ARG 70 -5.074 1.582 -9.744 563 HB2 ARG 70 2HB ARG 70 -6.235 0.913 -7.065 564 HB3 ARG 70 3HB ARG 70 -5.729 2.587 -7.232 565 HG2 ARG 70 2HG ARG 70 -7.880 2.713 -7.975 566 HG3 ARG 70 3HG ARG 70 -7.016 2.552 -9.497 567 HD2 ARG 70 2HD ARG 70 -8.562 0.961 -9.920 568 HD3 ARG 70 3HD ARG 70 -7.473 -0.077 -9.019 569 HE ARG 70 HE ARG 70 -9.072 -0.339 -7.472 570 HH11 ARG 70 2HH2 ARG 70 -9.734 2.699 -9.096 571 HH12 ARG 70 1HH2 ARG 70 -11.220 3.044 -8.254 572 HH21 ARG 70 2HH1 ARG 70 -10.924 0.215 -6.156 573 HH22 ARG 70 1HH1 ARG 70 -11.823 1.661 -6.425 574 H LEU 71 H LEU 71 -2.505 0.215 -8.082 575 HA LEU 71 HA LEU 71 -1.253 2.833 -7.716 576 HB2 LEU 71 2HB LEU 71 -0.462 0.502 -5.985 577 HB3 LEU 71 3HB LEU 71 -0.251 2.208 -5.767 578 HG LEU 71 HG LEU 71 -1.621 1.206 -4.077 579 HD11 LEU 71 1HD1 LEU 71 -3.488 2.746 -4.003 580 HD12 LEU 71 2HD1 LEU 71 -2.019 3.551 -4.567 581 HD13 LEU 71 3HD1 LEU 71 -3.313 3.108 -5.725 582 HD21 LEU 71 3HD2 LEU 71 -2.701 -0.497 -5.664 583 HD22 LEU 71 1HD2 LEU 71 -3.665 0.177 -4.337 584 HD23 LEU 71 2HD2 LEU 71 -3.920 0.781 -5.965 585 H GLN 72 H GLN 72 1.077 2.675 -8.047 586 HA GLN 72 HA GLN 72 1.988 0.357 -9.683 587 HB2 GLN 72 2HB GLN 72 2.083 3.337 -10.131 588 HB3 GLN 72 3HB GLN 72 3.493 2.390 -10.622 589 HG2 GLN 72 2HG GLN 72 2.206 1.021 -12.099 590 HG3 GLN 72 3HG GLN 72 0.671 1.646 -11.472 591 HE21 GLN 72 1HE2 GLN 72 -0.024 3.801 -12.088 592 HE22 GLN 72 2HE2 GLN 72 0.773 4.621 -13.426 593 H VAL 73 H VAL 73 3.778 -0.571 -8.839 594 HA VAL 73 HA VAL 73 5.042 0.666 -6.489 595 HB VAL 73 HB VAL 73 4.176 -1.683 -6.503 596 HG11 VAL 73 1HG1 VAL 73 5.472 -3.431 -7.568 597 HG12 VAL 73 2HG1 VAL 73 4.863 -2.336 -8.813 598 HG13 VAL 73 3HG1 VAL 73 6.569 -2.266 -8.304 599 HG21 VAL 73 3HG2 VAL 73 7.137 -1.317 -5.977 600 HG22 VAL 73 1HG2 VAL 73 5.806 -1.019 -4.840 601 HG23 VAL 73 2HG2 VAL 73 6.152 -2.669 -5.385 602 H SER 74 H SER 74 7.177 1.277 -6.497 603 HA SER 74 HA SER 74 8.543 1.782 -9.015 604 HB2 SER 74 2HB SER 74 8.819 3.197 -6.949 605 HB3 SER 74 3HB SER 74 9.641 1.822 -6.176 606 HG SER 74 HG SER 74 11.138 3.268 -7.173 607 H GLU 75 H GLU 75 10.591 0.837 -9.603 608 HA GLU 75 HA GLU 75 10.625 -2.000 -9.558 609 HB2 GLU 75 2HB GLU 75 12.868 -0.014 -10.163 610 HB3 GLU 75 3HB GLU 75 12.940 -1.755 -10.439 611 HG2 GLU 75 2HG GLU 75 12.261 -1.223 -12.511 612 HG3 GLU 75 3HG GLU 75 10.659 -1.285 -11.790 613 H ASP 76 H ASP 76 11.797 0.329 -7.209 614 HA ASP 76 HA ASP 76 13.672 -1.371 -5.844 615 HB2 ASP 76 2HB ASP 76 12.071 1.107 -5.161 616 HB3 ASP 76 3HB ASP 76 12.828 0.195 -3.854 617 H GLY 77 H GLY 77 10.130 -1.079 -5.775 618 HA2 GLY 77 2HA GLY 77 8.537 -2.250 -4.542 619 HA3 GLY 77 3HA GLY 77 9.798 -3.381 -4.045 620 H LYS 78 H LYS 78 10.743 -0.189 -3.279 621 HA LYS 78 HA LYS 78 9.569 -0.398 -0.529 622 HB2 LYS 78 2HB LYS 78 12.067 1.076 -1.482 623 HB3 LYS 78 3HB LYS 78 11.297 1.330 0.081 624 HG2 LYS 78 2HG LYS 78 12.881 -0.179 0.708 625 HG3 LYS 78 3HG LYS 78 11.526 -1.269 0.379 626 HD2 LYS 78 2HD LYS 78 12.452 -1.618 -1.919 627 HD3 LYS 78 3HD LYS 78 13.843 -0.604 -1.492 628 HE2 LYS 78 2HE LYS 78 14.405 -2.195 0.330 629 HE3 LYS 78 3HE LYS 78 12.990 -3.176 -0.093 630 HZ1 LYS 78 3HZ LYS 78 14.952 -4.066 -1.126 631 HZ2 LYS 78 1HZ LYS 78 13.949 -3.462 -2.303 632 HZ3 LYS 78 2HZ LYS 78 15.289 -2.626 -1.860 633 H MET 79 H MET 79 8.776 0.976 -3.464 634 HA MET 79 HA MET 79 7.233 2.911 -1.920 635 HB2 MET 79 2HB MET 79 9.032 3.704 -4.275 636 HB3 MET 79 3HB MET 79 7.618 4.638 -3.792 637 HG2 MET 79 2HG MET 79 9.251 5.748 -2.658 638 HG3 MET 79 3HG MET 79 8.669 4.648 -1.417 639 HE1 MET 79 3HE MET 79 10.961 5.811 -0.357 640 HE2 MET 79 1HE MET 79 10.409 4.232 0.241 641 HE3 MET 79 2HE MET 79 12.137 4.507 -0.065 642 H VAL 80 H VAL 80 5.324 3.630 -3.023 643 HA VAL 80 HA VAL 80 4.625 2.416 -5.522 644 HB VAL 80 HB VAL 80 4.060 0.536 -4.142 645 HG11 VAL 80 1HG1 VAL 80 4.164 1.468 -1.910 646 HG12 VAL 80 2HG1 VAL 80 2.770 2.522 -2.253 647 HG13 VAL 80 3HG1 VAL 80 2.544 0.788 -2.133 648 HG21 VAL 80 3HG2 VAL 80 1.670 0.323 -4.319 649 HG22 VAL 80 1HG2 VAL 80 1.459 2.079 -4.354 650 HG23 VAL 80 2HG2 VAL 80 2.235 1.230 -5.723 651 H ARG 81 H ARG 81 2.604 3.398 -6.291 652 HA ARG 81 HA ARG 81 1.936 5.960 -4.911 653 HB2 ARG 81 2HB ARG 81 2.400 7.236 -6.933 654 HB3 ARG 81 3HB ARG 81 3.846 6.345 -6.442 655 HG2 ARG 81 2HG ARG 81 2.776 4.546 -8.189 656 HG3 ARG 81 3HG ARG 81 2.142 6.033 -8.888 657 HD2 ARG 81 2HD ARG 81 5.054 5.421 -8.221 658 HD3 ARG 81 3HD ARG 81 4.328 5.304 -9.835 659 HE ARG 81 HE ARG 81 3.794 7.891 -9.008 660 HH11 ARG 81 2HH2 ARG 81 6.657 5.911 -9.568 661 HH12 ARG 81 1HH2 ARG 81 7.692 7.211 -10.029 662 HH21 ARG 81 2HH1 ARG 81 5.156 9.690 -9.613 663 HH22 ARG 81 1HH1 ARG 81 6.802 9.423 -10.058 664 H ARG 82 H ARG 82 -0.247 6.289 -4.957 665 HA ARG 82 HA ARG 82 -2.017 4.654 -6.542 666 HB2 ARG 82 2HB ARG 82 -3.766 6.060 -5.563 667 HB3 ARG 82 3HB ARG 82 -2.552 5.760 -4.315 668 HG2 ARG 82 2HG ARG 82 -1.452 7.986 -5.092 669 HG3 ARG 82 3HG ARG 82 -2.965 8.305 -5.928 670 HD2 ARG 82 2HD ARG 82 -2.671 7.704 -2.973 671 HD3 ARG 82 3HD ARG 82 -2.780 9.315 -3.722 672 HE ARG 82 HE ARG 82 -5.025 7.559 -4.348 673 HH11 ARG 82 2HH2 ARG 82 -3.661 9.881 -2.075 674 HH12 ARG 82 1HH2 ARG 82 -5.161 10.660 -1.703 675 HH21 ARG 82 2HH1 ARG 82 -7.076 8.127 -3.299 676 HH22 ARG 82 1HH1 ARG 82 -7.183 9.612 -2.436 677 H LEU 83 H LEU 83 -3.833 6.101 -7.676 678 HA LEU 83 HA LEU 83 -2.561 7.376 -9.987 679 HB2 LEU 83 2HB LEU 83 -4.776 7.229 -10.987 680 HB3 LEU 83 3HB LEU 83 -4.246 5.648 -10.450 681 HG LEU 83 HG LEU 83 -6.026 7.276 -8.597 682 HD11 LEU 83 1HD1 LEU 83 -7.048 7.439 -10.838 683 HD12 LEU 83 2HD1 LEU 83 -7.016 5.665 -10.976 684 HD13 LEU 83 3HD1 LEU 83 -8.008 6.484 -9.728 685 HD21 LEU 83 3HD2 LEU 83 -7.033 4.974 -8.259 686 HD22 LEU 83 1HD2 LEU 83 -5.676 4.330 -9.210 687 HD23 LEU 83 2HD2 LEU 83 -5.398 5.139 -7.658 688 H ASP 84 H ASP 84 -3.224 9.493 -10.676 689 HA ASP 84 HA ASP 84 -3.513 11.382 -8.607 690 HB2 ASP 84 2HB ASP 84 -3.306 11.418 -11.561 691 HB3 ASP 84 3HB ASP 84 -4.229 12.765 -10.888 692 HA PRO 85 HA PRO 85 -8.024 12.140 -9.706 693 HB2 PRO 85 2HB PRO 85 -9.432 10.469 -11.404 694 HB3 PRO 85 3HB PRO 85 -8.556 11.940 -11.927 695 HG2 PRO 85 2HG PRO 85 -7.692 9.069 -12.125 696 HG3 PRO 85 3HG PRO 85 -7.448 10.392 -13.295 697 HD2 PRO 85 2HD PRO 85 -5.510 9.516 -11.523 698 HD3 PRO 85 3HD PRO 85 -5.576 11.182 -12.171 699 H LEU 86 H LEU 86 -10.080 11.184 -8.811 700 HA LEU 86 HA LEU 86 -9.349 9.455 -6.702 701 HB2 LEU 86 2HB LEU 86 -11.586 9.547 -5.945 702 HB3 LEU 86 3HB LEU 86 -11.170 11.141 -6.545 703 HG LEU 86 HG LEU 86 -12.824 9.085 -8.110 704 HD11 LEU 86 1HD1 LEU 86 -13.943 9.713 -6.031 705 HD12 LEU 86 2HD1 LEU 86 -13.703 11.439 -6.395 706 HD13 LEU 86 3HD1 LEU 86 -14.759 10.439 -7.422 707 HD21 LEU 86 3HD2 LEU 86 -11.897 10.719 -9.643 708 HD22 LEU 86 1HD2 LEU 86 -13.568 11.154 -9.353 709 HD23 LEU 86 2HD2 LEU 86 -12.286 12.067 -8.526 710 HA PRO 87 HA PRO 87 -9.916 5.497 -8.528 711 HB2 PRO 87 2HB PRO 87 -10.347 3.940 -6.269 712 HB3 PRO 87 3HB PRO 87 -8.760 4.603 -6.753 713 HG2 PRO 87 2HG PRO 87 -10.701 5.676 -4.707 714 HG3 PRO 87 3HG PRO 87 -8.904 5.534 -4.629 715 HD2 PRO 87 2HD PRO 87 -10.219 7.866 -5.233 716 HD3 PRO 87 3HD PRO 87 -8.607 7.458 -5.899 717 H GLU 88 H GLU 88 -11.759 5.177 -9.741 718 HA GLU 88 HA GLU 88 -14.269 4.488 -8.290 719 HB2 GLU 88 2HB GLU 88 -15.437 5.645 -10.176 720 HB3 GLU 88 3HB GLU 88 -14.577 6.679 -9.036 721 HG2 GLU 88 2HG GLU 88 -12.677 6.880 -10.655 722 HG3 GLU 88 3HG GLU 88 -13.597 5.953 -11.835 723 H ASN 89 H ASN 89 -13.815 2.244 -8.490 724 HA ASN 89 HA ASN 89 -13.420 0.225 -9.486 725 HB2 ASN 89 2HB ASN 89 -15.581 1.396 -11.253 726 HB3 ASN 89 3HB ASN 89 -15.100 -0.300 -11.252 727 HD21 ASN 89 1HD2 ASN 89 -17.574 -0.404 -10.677 728 HD22 ASN 89 2HD2 ASN 89 -17.888 -0.448 -8.948 729 H ILE 90 H ILE 90 -11.375 1.785 -10.264 730 HA ILE 90 HA ILE 90 -11.180 1.517 -13.174 731 HB ILE 90 HB ILE 90 -9.303 2.659 -11.031 732 HG12 ILE 90 2HG1 ILE 90 -10.719 4.017 -13.380 733 HG13 ILE 90 3HG1 ILE 90 -11.434 3.890 -11.777 734 HG21 ILE 90 1HG2 ILE 90 -8.797 2.543 -14.035 735 HG22 ILE 90 2HG2 ILE 90 -7.843 3.477 -12.865 736 HG23 ILE 90 3HG2 ILE 90 -7.852 1.722 -12.774 737 HD11 ILE 90 3HD1 ILE 90 -8.902 5.401 -12.459 738 HD12 ILE 90 1HD1 ILE 90 -10.466 6.056 -11.955 739 HD13 ILE 90 2HD1 ILE 90 -9.509 5.105 -10.805 740 H ASP 91 H ASP 91 -9.316 0.149 -14.110 741 HA ASP 91 HA ASP 91 -8.200 -1.861 -12.374 742 HB2 ASP 91 2HB ASP 91 -10.622 -2.582 -13.191 743 HB3 ASP 91 3HB ASP 91 -9.827 -2.811 -14.747 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -3.167 -18.851 -0.480 2 H2 MET 1 H2 MET 1 -2.722 -17.496 0.353 3 H3 MET 1 H3 MET 1 -3.553 -17.376 -1.062 4 HA MET 1 HA MET 1 -1.180 -16.843 -1.270 5 HB2 MET 1 2HB MET 1 0.404 -18.702 -1.254 6 HB3 MET 1 3HB MET 1 -0.373 -18.514 0.319 7 HG2 MET 1 2HG MET 1 -2.046 -20.330 -1.013 8 HG3 MET 1 3HG MET 1 -0.442 -20.784 -1.561 9 HE1 MET 1 1HE MET 1 -1.540 -23.440 1.123 10 HE2 MET 1 2HE MET 1 -2.680 -22.485 0.147 11 HE3 MET 1 3HE MET 1 -1.194 -23.123 -0.594 12 H SER 2 H SER 2 -2.800 -16.328 -3.045 13 HA SER 2 HA SER 2 -2.446 -17.881 -5.430 14 HB2 SER 2 2HB SER 2 -4.929 -18.498 -5.490 15 HB3 SER 2 3HB SER 2 -3.985 -19.417 -4.308 16 HG SER 2 HG SER 2 -5.994 -18.521 -3.516 17 H GLU 3 H GLU 3 -4.463 -16.922 -6.955 18 HA GLU 3 HA GLU 3 -4.352 -14.062 -6.877 19 HB2 GLU 3 2HB GLU 3 -6.217 -14.172 -8.485 20 HB3 GLU 3 3HB GLU 3 -4.841 -15.181 -8.940 21 HG2 GLU 3 2HG GLU 3 -6.010 -17.204 -8.199 22 HG3 GLU 3 3HG GLU 3 -7.350 -16.242 -7.563 23 H GLU 4 H GLU 4 -6.431 -16.399 -5.152 24 HA GLU 4 HA GLU 4 -8.499 -14.530 -4.536 25 HB2 GLU 4 2HB GLU 4 -7.445 -16.842 -2.863 26 HB3 GLU 4 3HB GLU 4 -8.998 -16.047 -2.634 27 HG2 GLU 4 2HG GLU 4 -9.945 -16.998 -4.552 28 HG3 GLU 4 3HG GLU 4 -8.385 -17.279 -5.333 29 H THR 5 H THR 5 -5.626 -15.530 -2.576 30 HA THR 5 HA THR 5 -6.150 -13.540 -0.568 31 HB THR 5 HB THR 5 -3.442 -14.728 -1.230 32 HG1 THR 5 1HG THR 5 -5.660 -15.900 0.065 33 HG21 THR 5 1HG2 THR 5 -4.741 -13.932 1.419 34 HG22 THR 5 2HG2 THR 5 -3.135 -14.669 1.240 35 HG23 THR 5 3HG2 THR 5 -3.444 -13.054 0.584 36 H SER 6 H SER 6 -4.065 -13.601 -3.464 37 HA SER 6 HA SER 6 -2.663 -11.211 -2.899 38 HB2 SER 6 2HB SER 6 -2.033 -12.965 -4.606 39 HB3 SER 6 3HB SER 6 -3.369 -12.390 -5.622 40 HG SER 6 HG SER 6 -0.991 -11.061 -4.866 41 H THR 7 H THR 7 -5.704 -11.777 -4.717 42 HA THR 7 HA THR 7 -5.973 -8.934 -5.192 43 HB THR 7 HB THR 7 -7.900 -11.242 -5.715 44 HG1 THR 7 1HG THR 7 -5.887 -10.016 -7.307 45 HG21 THR 7 1HG2 THR 7 -7.795 -8.584 -7.197 46 HG22 THR 7 2HG2 THR 7 -8.983 -9.895 -7.357 47 HG23 THR 7 3HG2 THR 7 -8.948 -8.923 -5.883 48 H GLN 8 H GLN 8 -7.105 -11.120 -2.691 49 HA GLN 8 HA GLN 8 -9.180 -9.358 -1.651 50 HB2 GLN 8 2HB GLN 8 -7.360 -11.516 -0.511 51 HB3 GLN 8 3HB GLN 8 -8.365 -10.557 0.556 52 HG2 GLN 8 2HG GLN 8 -9.663 -11.887 -1.831 53 HG3 GLN 8 3HG GLN 8 -9.210 -12.870 -0.431 54 HE21 GLN 8 1HE2 GLN 8 -11.191 -13.307 0.566 55 HE22 GLN 8 2HE2 GLN 8 -12.282 -12.026 1.071 56 H ILE 9 H ILE 9 -5.663 -9.678 -1.249 57 HA ILE 9 HA ILE 9 -5.710 -7.652 0.856 58 HB ILE 9 HB ILE 9 -4.087 -9.707 0.533 59 HG12 ILE 9 2HG1 ILE 9 -3.236 -6.958 1.526 60 HG13 ILE 9 3HG1 ILE 9 -4.219 -8.111 2.430 61 HG21 ILE 9 1HG2 ILE 9 -1.905 -9.191 -0.321 62 HG22 ILE 9 2HG2 ILE 9 -3.053 -8.878 -1.603 63 HG23 ILE 9 3HG2 ILE 9 -2.382 -7.515 -0.679 64 HD11 ILE 9 3HD1 ILE 9 -2.025 -8.354 3.278 65 HD12 ILE 9 1HD1 ILE 9 -2.262 -9.756 2.217 66 HD13 ILE 9 2HD1 ILE 9 -1.282 -8.370 1.674 67 H LEU 10 H LEU 10 -5.010 -7.935 -2.558 68 HA LEU 10 HA LEU 10 -3.931 -5.378 -2.974 69 HB2 LEU 10 2HB LEU 10 -4.342 -7.353 -4.684 70 HB3 LEU 10 3HB LEU 10 -5.879 -6.551 -4.970 71 HG LEU 10 HG LEU 10 -3.048 -5.777 -5.613 72 HD11 LEU 10 1HD1 LEU 10 -4.172 -5.149 -7.739 73 HD12 LEU 10 2HD1 LEU 10 -4.566 -6.792 -7.258 74 HD13 LEU 10 3HD1 LEU 10 -5.754 -5.493 -7.010 75 HD21 LEU 10 3HD2 LEU 10 -5.218 -3.719 -5.122 76 HD22 LEU 10 1HD2 LEU 10 -3.635 -3.811 -4.315 77 HD23 LEU 10 2HD2 LEU 10 -3.713 -3.413 -6.000 78 H LYS 11 H LYS 11 -7.406 -6.410 -3.061 79 HA LYS 11 HA LYS 11 -8.429 -3.760 -3.458 80 HB2 LYS 11 2HB LYS 11 -9.555 -6.421 -2.657 81 HB3 LYS 11 3HB LYS 11 -10.384 -5.052 -1.935 82 HG2 LYS 11 2HG LYS 11 -11.526 -5.564 -3.933 83 HG3 LYS 11 3HG LYS 11 -10.692 -4.027 -4.176 84 HD2 LYS 11 2HD LYS 11 -8.876 -5.222 -5.400 85 HD3 LYS 11 3HD LYS 11 -9.746 -6.751 -5.184 86 HE2 LYS 11 2HE LYS 11 -10.826 -4.277 -6.607 87 HE3 LYS 11 3HE LYS 11 -10.114 -5.674 -7.429 88 HZ1 LYS 11 3HZ LYS 11 -11.876 -7.036 -6.519 89 HZ2 LYS 11 1HZ LYS 11 -12.543 -5.737 -5.756 90 HZ3 LYS 11 2HZ LYS 11 -12.507 -5.797 -7.398 91 H GLN 12 H GLN 12 -7.248 -5.381 -0.626 92 HA GLN 12 HA GLN 12 -8.377 -3.368 1.192 93 HB2 GLN 12 2HB GLN 12 -6.422 -5.626 1.562 94 HB3 GLN 12 3HB GLN 12 -6.908 -4.541 2.883 95 HG2 GLN 12 2HG GLN 12 -9.222 -5.162 2.681 96 HG3 GLN 12 3HG GLN 12 -8.938 -6.072 1.196 97 HE21 GLN 12 1HE2 GLN 12 -10.228 -7.300 3.385 98 HE22 GLN 12 2HE2 GLN 12 -9.114 -8.497 4.033 99 H VAL 13 H VAL 13 -5.394 -3.672 -0.670 100 HA VAL 13 HA VAL 13 -3.931 -1.673 0.906 101 HB VAL 13 HB VAL 13 -3.516 -3.217 -1.671 102 HG11 VAL 13 1HG1 VAL 13 -1.762 -0.949 -0.634 103 HG12 VAL 13 2HG1 VAL 13 -1.257 -2.148 -1.848 104 HG13 VAL 13 3HG1 VAL 13 -2.585 -1.048 -2.213 105 HG21 VAL 13 3HG2 VAL 13 -1.859 -3.003 0.876 106 HG22 VAL 13 1HG2 VAL 13 -3.018 -4.302 0.524 107 HG23 VAL 13 2HG2 VAL 13 -1.576 -4.114 -0.483 108 H GLU 14 H GLU 14 -5.449 -1.896 -2.316 109 HA GLU 14 HA GLU 14 -5.228 0.815 -2.925 110 HB2 GLU 14 2HB GLU 14 -6.703 0.325 -4.770 111 HB3 GLU 14 3HB GLU 14 -5.672 -1.079 -4.494 112 HG2 GLU 14 2HG GLU 14 -7.489 -2.262 -4.673 113 HG3 GLU 14 3HG GLU 14 -7.716 -1.817 -2.987 114 H TYR 15 H TYR 15 -7.675 -0.899 -0.980 115 HA TYR 15 HA TYR 15 -9.672 1.021 -0.889 116 HB2 TYR 15 2HB TYR 15 -10.272 -1.006 0.014 117 HB3 TYR 15 3HB TYR 15 -8.693 -1.261 0.757 118 HD1 TYR 15 HD2 TYR 15 -11.937 0.466 1.203 119 HD2 TYR 15 HD1 TYR 15 -8.109 -0.542 2.919 120 HE1 TYR 15 HE2 TYR 15 -12.667 1.386 3.365 121 HE2 TYR 15 HE1 TYR 15 -8.786 0.412 5.047 122 HH TYR 15 HH TYR 15 -11.713 2.331 5.344 123 H TYR 16 H TYR 16 -6.654 0.780 1.105 124 HA TYR 16 HA TYR 16 -7.412 2.869 2.883 125 HB2 TYR 16 2HB TYR 16 -4.786 1.611 2.121 126 HB3 TYR 16 3HB TYR 16 -4.747 3.153 2.946 127 HD1 TYR 16 HD1 TYR 16 -6.047 3.410 5.124 128 HD2 TYR 16 HD2 TYR 16 -5.102 -0.397 3.350 129 HE1 TYR 16 HE1 TYR 16 -6.256 2.357 7.325 130 HE2 TYR 16 HE2 TYR 16 -5.338 -1.486 5.597 131 HH TYR 16 HH TYR 16 -5.940 0.362 8.558 132 H PHE 17 H PHE 17 -6.190 3.070 -0.403 133 HA PHE 17 HA PHE 17 -5.946 6.003 -0.193 134 HB2 PHE 17 2HB PHE 17 -5.461 4.100 -2.517 135 HB3 PHE 17 3HB PHE 17 -5.127 5.832 -2.522 136 HD1 PHE 17 1HD PHE 17 -4.079 2.545 -1.165 137 HD2 PHE 17 2HD PHE 17 -3.228 6.778 -1.243 138 HE1 PHE 17 1HE PHE 17 -1.922 2.134 -0.024 139 HE2 PHE 17 2HE PHE 17 -1.087 6.371 -0.118 140 HZ PHE 17 HZ PHE 17 -0.430 4.034 0.525 141 H SER 18 H SER 18 -8.183 3.549 -1.314 142 HA SER 18 HA SER 18 -9.640 5.398 -3.022 143 HB2 SER 18 2HB SER 18 -8.990 3.036 -3.688 144 HB3 SER 18 3HB SER 18 -10.188 2.469 -2.504 145 HG SER 18 HG SER 18 -11.700 3.884 -3.696 146 H ASP 19 H ASP 19 -9.724 4.661 0.183 147 HA ASP 19 HA ASP 19 -12.627 5.150 0.512 148 HB2 ASP 19 2HB ASP 19 -11.457 3.186 1.446 149 HB3 ASP 19 3HB ASP 19 -10.361 4.251 2.329 150 H SER 20 H SER 20 -10.335 7.100 -0.255 151 HA SER 20 HA SER 20 -9.146 8.901 0.434 152 HB2 SER 20 2HB SER 20 -11.934 9.574 1.439 153 HB3 SER 20 3HB SER 20 -10.622 10.756 1.236 154 HG SER 20 HG SER 20 -10.605 10.350 -0.947 155 H ASN 21 H ASN 21 -8.824 6.726 2.285 156 HA ASN 21 HA ASN 21 -8.931 8.019 4.918 157 HB2 ASN 21 2HB ASN 21 -9.204 5.373 4.058 158 HB3 ASN 21 3HB ASN 21 -7.617 5.403 4.830 159 HD21 ASN 21 1HD2 ASN 21 -10.612 4.506 5.545 160 HD22 ASN 21 2HD2 ASN 21 -10.676 4.986 7.224 161 H PHE 22 H PHE 22 -6.592 7.633 2.327 162 HA PHE 22 HA PHE 22 -4.207 7.575 3.757 163 HB2 PHE 22 2HB PHE 22 -3.641 7.387 1.591 164 HB3 PHE 22 3HB PHE 22 -5.111 8.144 1.053 165 HD1 PHE 22 2HD PHE 22 -1.822 9.149 2.649 166 HD2 PHE 22 1HD PHE 22 -4.997 10.110 -0.085 167 HE1 PHE 22 2HE PHE 22 -0.713 11.286 2.093 168 HE2 PHE 22 1HE PHE 22 -3.901 12.227 -0.644 169 HZ PHE 22 HZ PHE 22 -1.707 12.830 0.427 170 HA PRO 23 HA PRO 23 -4.002 12.216 3.973 171 HB2 PRO 23 2HB PRO 23 -6.191 13.864 3.729 172 HB3 PRO 23 3HB PRO 23 -5.226 13.300 2.324 173 HG2 PRO 23 2HG PRO 23 -7.861 12.243 3.347 174 HG3 PRO 23 3HG PRO 23 -7.331 12.485 1.653 175 HD2 PRO 23 2HD PRO 23 -7.273 10.082 3.036 176 HD3 PRO 23 3HD PRO 23 -6.252 10.427 1.630 177 H ARG 24 H ARG 24 -6.760 10.545 5.282 178 HA ARG 24 HA ARG 24 -7.105 12.257 7.610 179 HB2 ARG 24 2HB ARG 24 -8.862 10.794 6.368 180 HB3 ARG 24 3HB ARG 24 -8.079 9.402 7.128 181 HG2 ARG 24 2HG ARG 24 -8.460 10.607 9.379 182 HG3 ARG 24 3HG ARG 24 -9.479 11.743 8.469 183 HD2 ARG 24 2HD ARG 24 -10.857 9.791 7.687 184 HD3 ARG 24 3HD ARG 24 -9.828 8.720 8.663 185 HE ARG 24 HE ARG 24 -10.999 10.925 10.155 186 HH11 ARG 24 2HH2 ARG 24 -11.549 7.647 8.997 187 HH12 ARG 24 1HH2 ARG 24 -12.729 7.229 10.193 188 HH21 ARG 24 2HH1 ARG 24 -12.577 10.419 11.783 189 HH22 ARG 24 1HH1 ARG 24 -13.322 8.864 11.823 190 H ASP 25 H ASP 25 -5.541 9.102 6.843 191 HA ASP 25 HA ASP 25 -5.103 8.692 9.698 192 HB2 ASP 25 2HB ASP 25 -5.823 6.823 8.228 193 HB3 ASP 25 3HB ASP 25 -4.280 6.941 7.371 194 H LYS 26 H LYS 26 -3.561 9.887 10.466 195 HA LYS 26 HA LYS 26 -1.337 10.981 9.273 196 HB2 LYS 26 2HB LYS 26 -0.331 11.248 11.466 197 HB3 LYS 26 3HB LYS 26 -2.049 11.626 11.518 198 HG2 LYS 26 2HG LYS 26 -1.369 8.792 12.202 199 HG3 LYS 26 3HG LYS 26 -0.713 9.999 13.298 200 HD2 LYS 26 2HD LYS 26 -2.891 10.902 13.770 201 HD3 LYS 26 3HD LYS 26 -3.665 9.892 12.538 202 HE2 LYS 26 2HE LYS 26 -2.127 8.779 14.919 203 HE3 LYS 26 3HE LYS 26 -3.867 9.075 14.943 204 HZ1 LYS 26 3HZ LYS 26 -4.078 7.520 13.056 205 HZ2 LYS 26 1HZ LYS 26 -2.484 7.224 13.086 206 HZ3 LYS 26 2HZ LYS 26 -3.406 6.795 14.376 207 H PHE 27 H PHE 27 -1.652 7.617 10.161 208 HA PHE 27 HA PHE 27 1.135 6.897 10.195 209 HB2 PHE 27 2HB PHE 27 -0.803 5.574 11.080 210 HB3 PHE 27 3HB PHE 27 -1.365 5.335 9.432 211 HD1 PHE 27 2HD PHE 27 1.887 5.008 11.301 212 HD2 PHE 27 1HD PHE 27 -0.891 3.239 8.513 213 HE1 PHE 27 2HE PHE 27 3.339 3.036 11.117 214 HE2 PHE 27 1HE PHE 27 0.563 1.232 8.351 215 HZ PHE 27 HZ PHE 27 2.671 1.120 9.661 216 H LEU 28 H LEU 28 -1.387 6.866 7.648 217 HA LEU 28 HA LEU 28 0.444 6.009 5.536 218 HB2 LEU 28 2HB LEU 28 -2.291 7.329 5.610 219 HB3 LEU 28 3HB LEU 28 -1.341 7.341 4.136 220 HG LEU 28 HG LEU 28 -1.302 4.646 5.162 221 HD11 LEU 28 1HD1 LEU 28 -3.771 4.170 4.902 222 HD12 LEU 28 2HD1 LEU 28 -3.341 5.077 6.355 223 HD13 LEU 28 3HD1 LEU 28 -4.075 5.900 4.971 224 HD21 LEU 28 3HD2 LEU 28 -2.428 6.039 2.704 225 HD22 LEU 28 1HD2 LEU 28 -0.884 5.191 2.864 226 HD23 LEU 28 2HD2 LEU 28 -2.415 4.301 2.853 227 H ARG 29 H ARG 29 -0.994 9.123 6.452 228 HA ARG 29 HA ARG 29 0.251 10.641 4.531 229 HB2 ARG 29 2HB ARG 29 -1.676 11.240 6.157 230 HB3 ARG 29 3HB ARG 29 -0.394 11.810 7.248 231 HG2 ARG 29 2HG ARG 29 0.445 13.305 5.434 232 HG3 ARG 29 3HG ARG 29 -0.823 12.697 4.356 233 HD2 ARG 29 2HD ARG 29 -2.567 13.653 5.793 234 HD3 ARG 29 3HD ARG 29 -1.363 14.080 7.012 235 HE ARG 29 HE ARG 29 -0.811 15.945 5.870 236 HH11 ARG 29 2HH2 ARG 29 -2.586 13.853 3.664 237 HH12 ARG 29 1HH2 ARG 29 -2.572 14.951 2.327 238 HH21 ARG 29 2HH1 ARG 29 -0.752 17.446 4.104 239 HH22 ARG 29 1HH1 ARG 29 -1.505 17.061 2.602 240 H SER 30 H SER 30 1.687 9.583 7.611 241 HA SER 30 HA SER 30 3.956 11.314 7.578 242 HB2 SER 30 2HB SER 30 3.317 8.581 8.702 243 HB3 SER 30 3HB SER 30 5.009 9.104 8.646 244 HG SER 30 HG SER 30 3.954 9.709 10.584 245 H GLU 31 H GLU 31 3.453 8.060 5.997 246 HA GLU 31 HA GLU 31 6.170 8.297 4.893 247 HB2 GLU 31 2HB GLU 31 3.960 6.272 4.741 248 HB3 GLU 31 3HB GLU 31 5.036 6.370 3.350 249 HG2 GLU 31 2HG GLU 31 5.962 5.977 6.220 250 HG3 GLU 31 3HG GLU 31 5.839 4.715 4.982 251 H ALA 32 H ALA 32 2.856 8.961 3.779 252 HA ALA 32 HA ALA 32 3.467 9.428 1.067 253 HB1 ALA 32 1HB ALA 32 1.188 9.286 2.233 254 HB2 ALA 32 2HB ALA 32 1.458 10.981 2.729 255 HB3 ALA 32 3HB ALA 32 1.348 10.544 1.012 256 H ALA 33 H ALA 33 3.819 11.495 3.934 257 HA ALA 33 HA ALA 33 4.453 13.944 2.650 258 HB1 ALA 33 1HB ALA 33 5.147 12.895 5.430 259 HB2 ALA 33 2HB ALA 33 5.297 14.584 4.901 260 HB3 ALA 33 3HB ALA 33 3.700 13.819 4.974 261 H LYS 34 H LYS 34 6.318 11.117 2.507 262 HA LYS 34 HA LYS 34 8.897 12.542 2.458 263 HB2 LYS 34 2HB LYS 34 8.081 9.800 2.700 264 HB3 LYS 34 3HB LYS 34 8.889 9.937 1.152 265 HG2 LYS 34 2HG LYS 34 10.512 9.319 2.728 266 HG3 LYS 34 3HG LYS 34 10.846 11.017 2.380 267 HD2 LYS 34 2HD LYS 34 9.067 10.282 4.736 268 HD3 LYS 34 3HD LYS 34 10.817 10.048 4.853 269 HE2 LYS 34 2HE LYS 34 11.144 12.452 4.188 270 HE3 LYS 34 3HE LYS 34 9.386 12.676 4.293 271 HZ1 LYS 34 3HZ LYS 34 11.116 11.795 6.509 272 HZ2 LYS 34 1HZ LYS 34 10.495 13.309 6.323 273 HZ3 LYS 34 2HZ LYS 34 9.488 12.033 6.590 274 H ASN 35 H ASN 35 6.336 11.546 0.181 275 HA ASN 35 HA ASN 35 7.366 13.547 -1.635 276 HB2 ASN 35 2HB ASN 35 8.726 11.486 -2.261 277 HB3 ASN 35 3HB ASN 35 7.176 10.742 -2.739 278 HD21 ASN 35 1HD2 ASN 35 8.619 10.724 -4.883 279 HD22 ASN 35 2HD2 ASN 35 8.404 12.160 -5.867 280 H VAL 36 H VAL 36 5.146 13.961 -0.508 281 HA VAL 36 HA VAL 36 3.000 14.511 -0.861 282 HB VAL 36 HB VAL 36 3.921 13.999 -3.666 283 HG11 VAL 36 1HG1 VAL 36 1.011 14.316 -2.933 284 HG12 VAL 36 2HG1 VAL 36 1.699 14.781 -4.512 285 HG13 VAL 36 3HG1 VAL 36 1.788 13.104 -3.994 286 HG21 VAL 36 3HG2 VAL 36 2.616 16.356 -2.249 287 HG22 VAL 36 1HG2 VAL 36 4.370 16.106 -2.424 288 HG23 VAL 36 2HG2 VAL 36 3.364 16.366 -3.860 289 H ASP 37 H ASP 37 3.138 11.707 -2.982 290 HA ASP 37 HA ASP 37 1.957 9.901 -1.055 291 HB2 ASP 37 2HB ASP 37 0.031 11.442 -2.053 292 HB3 ASP 37 3HB ASP 37 0.167 10.396 -3.455 293 H ASN 38 H ASN 38 4.295 10.145 -2.772 294 HA ASN 38 HA ASN 38 3.912 8.049 -4.830 295 HB2 ASN 38 2HB ASN 38 5.977 10.271 -4.654 296 HB3 ASN 38 3HB ASN 38 5.985 8.991 -5.863 297 HD21 ASN 38 1HD2 ASN 38 5.265 12.178 -5.601 298 HD22 ASN 38 2HD2 ASN 38 3.989 12.219 -6.813 299 H TYR 39 H TYR 39 5.749 8.934 -1.970 300 HA TYR 39 HA TYR 39 7.388 6.469 -2.241 301 HB2 TYR 39 2HB TYR 39 8.057 9.149 -1.207 302 HB3 TYR 39 3HB TYR 39 8.305 7.886 -0.020 303 HD1 TYR 39 HD1 TYR 39 9.749 5.891 -0.529 304 HD2 TYR 39 HD2 TYR 39 9.630 9.382 -3.053 305 HE1 TYR 39 HE1 TYR 39 11.871 5.184 -1.603 306 HE2 TYR 39 HE2 TYR 39 11.767 8.706 -4.103 307 HH TYR 39 HH TYR 39 13.532 7.150 -4.081 308 H ILE 40 H ILE 40 6.422 4.845 -1.138 309 HA ILE 40 HA ILE 40 5.294 5.442 1.481 310 HB ILE 40 HB ILE 40 3.691 3.744 -0.450 311 HG12 ILE 40 2HG1 ILE 40 3.177 6.671 0.207 312 HG13 ILE 40 3HG1 ILE 40 3.663 6.028 -1.369 313 HG21 ILE 40 1HG2 ILE 40 1.974 3.906 1.275 314 HG22 ILE 40 2HG2 ILE 40 3.481 3.380 2.024 315 HG23 ILE 40 3HG2 ILE 40 2.958 5.070 2.194 316 HD11 ILE 40 3HD1 ILE 40 1.340 6.369 -1.522 317 HD12 ILE 40 1HD1 ILE 40 1.527 4.619 -1.343 318 HD13 ILE 40 2HD1 ILE 40 1.054 5.626 0.057 319 H SER 41 H SER 41 6.880 4.221 2.556 320 HA SER 41 HA SER 41 8.141 2.025 1.384 321 HB2 SER 41 2HB SER 41 9.083 3.257 3.303 322 HB3 SER 41 3HB SER 41 7.805 2.586 4.352 323 HG SER 41 HG SER 41 9.743 1.277 4.375 324 H ILE 42 H ILE 42 7.903 -0.129 1.508 325 HA ILE 42 HA ILE 42 5.294 -1.246 1.976 326 HB ILE 42 HB ILE 42 6.261 -3.377 1.517 327 HG12 ILE 42 2HG1 ILE 42 8.783 -3.450 0.920 328 HG13 ILE 42 3HG1 ILE 42 8.962 -2.057 1.992 329 HG21 ILE 42 1HG2 ILE 42 7.025 -2.927 -0.701 330 HG22 ILE 42 2HG2 ILE 42 5.918 -1.607 -0.264 331 HG23 ILE 42 3HG2 ILE 42 7.660 -1.333 -0.249 332 HD11 ILE 42 3HD1 ILE 42 9.431 -4.340 3.017 333 HD12 ILE 42 1HD1 ILE 42 8.218 -3.422 3.900 334 HD13 ILE 42 2HD1 ILE 42 7.721 -4.732 2.802 335 H ASP 43 H ASP 43 7.734 -0.234 4.165 336 HA ASP 43 HA ASP 43 7.228 -2.153 6.236 337 HB2 ASP 43 2HB ASP 43 8.140 0.739 6.443 338 HB3 ASP 43 3HB ASP 43 8.261 -0.486 7.713 339 H VAL 44 H VAL 44 5.606 0.924 5.258 340 HA VAL 44 HA VAL 44 3.954 1.093 7.606 341 HB VAL 44 HB VAL 44 4.363 2.511 5.031 342 HG11 VAL 44 1HG1 VAL 44 2.082 1.974 4.551 343 HG12 VAL 44 2HG1 VAL 44 1.563 2.466 6.188 344 HG13 VAL 44 3HG1 VAL 44 2.194 3.665 5.036 345 HG21 VAL 44 3HG2 VAL 44 5.107 3.350 7.219 346 HG22 VAL 44 1HG2 VAL 44 3.938 4.457 6.468 347 HG23 VAL 44 2HG2 VAL 44 3.417 3.398 7.782 348 H ILE 45 H ILE 45 3.656 -0.242 4.347 349 HA ILE 45 HA ILE 45 0.877 -0.986 4.666 350 HB ILE 45 HB ILE 45 2.860 -2.112 2.663 351 HG12 ILE 45 2HG1 ILE 45 1.315 0.503 2.274 352 HG13 ILE 45 3HG1 ILE 45 3.012 0.474 2.721 353 HG21 ILE 45 1HG2 ILE 45 0.946 -2.438 1.240 354 HG22 ILE 45 2HG2 ILE 45 0.419 -2.948 2.848 355 HG23 ILE 45 3HG2 ILE 45 -0.068 -1.368 2.230 356 HD11 ILE 45 3HD1 ILE 45 3.619 -0.718 0.675 357 HD12 ILE 45 1HD1 ILE 45 1.912 -0.673 0.166 358 HD13 ILE 45 2HD1 ILE 45 2.829 0.828 0.357 359 H ALA 46 H ALA 46 3.959 -2.676 5.059 360 HA ALA 46 HA ALA 46 2.773 -5.222 5.654 361 HB1 ALA 46 1HB ALA 46 4.994 -5.760 6.621 362 HB2 ALA 46 2HB ALA 46 5.171 -4.987 5.033 363 HB3 ALA 46 3HB ALA 46 5.464 -4.049 6.513 364 H SER 47 H SER 47 3.364 -2.230 7.454 365 HA SER 47 HA SER 47 2.567 -3.530 9.985 366 HB2 SER 47 2HB SER 47 4.604 -2.130 9.854 367 HB3 SER 47 3HB SER 47 3.609 -0.743 9.398 368 HG SER 47 HG SER 47 2.474 -1.118 11.428 369 H PHE 48 H PHE 48 0.710 -2.612 7.504 370 HA PHE 48 HA PHE 48 -1.052 -0.722 8.720 371 HB2 PHE 48 2HB PHE 48 -0.978 -2.407 6.321 372 HB3 PHE 48 3HB PHE 48 -2.615 -2.305 6.933 373 HD1 PHE 48 1HD PHE 48 -2.480 0.642 7.920 374 HD2 PHE 48 2HD PHE 48 -1.338 -1.418 4.299 375 HE1 PHE 48 1HE PHE 48 -2.743 2.731 6.642 376 HE2 PHE 48 2HE PHE 48 -1.613 0.691 3.017 377 HZ PHE 48 HZ PHE 48 -2.282 2.738 4.189 378 H ASN 49 H ASN 49 -0.412 -3.679 9.970 379 HA ASN 49 HA ASN 49 -1.395 -5.128 11.331 380 HB2 ASN 49 2HB ASN 49 -2.561 -3.008 12.269 381 HB3 ASN 49 3HB ASN 49 -4.008 -3.589 11.430 382 HD21 ASN 49 1HD2 ASN 49 -5.264 -5.117 12.651 383 HD22 ASN 49 2HD2 ASN 49 -4.547 -6.037 13.965 384 H ARG 50 H ARG 50 -4.227 -4.038 9.430 385 HA ARG 50 HA ARG 50 -5.277 -6.630 8.979 386 HB2 ARG 50 2HB ARG 50 -6.486 -4.450 8.859 387 HB3 ARG 50 3HB ARG 50 -5.574 -4.026 7.406 388 HG2 ARG 50 2HG ARG 50 -6.622 -5.864 6.167 389 HG3 ARG 50 3HG ARG 50 -7.500 -6.392 7.620 390 HD2 ARG 50 2HD ARG 50 -7.663 -3.529 6.649 391 HD3 ARG 50 3HD ARG 50 -8.667 -4.790 5.882 392 HE ARG 50 HE ARG 50 -9.012 -4.980 8.669 393 HH11 ARG 50 2HH2 ARG 50 -9.713 -2.703 6.057 394 HH12 ARG 50 1HH2 ARG 50 -11.130 -2.041 6.778 395 HH21 ARG 50 2HH1 ARG 50 -10.934 -4.115 9.674 396 HH22 ARG 50 1HH1 ARG 50 -11.841 -2.881 8.884 397 H MET 51 H MET 51 -2.961 -4.756 7.025 398 HA MET 51 HA MET 51 -2.963 -6.770 4.901 399 HB2 MET 51 2HB MET 51 -1.715 -4.161 5.323 400 HB3 MET 51 3HB MET 51 -0.531 -5.348 4.758 401 HG2 MET 51 2HG MET 51 -1.644 -4.169 2.898 402 HG3 MET 51 3HG MET 51 -1.872 -5.913 2.867 403 HE1 MET 51 3HE MET 51 -5.089 -2.727 3.727 404 HE2 MET 51 1HE MET 51 -3.653 -2.899 4.767 405 HE3 MET 51 2HE MET 51 -3.470 -2.418 3.063 406 H LYS 52 H LYS 52 -1.142 -6.218 7.961 407 HA LYS 52 HA LYS 52 0.930 -8.062 7.330 408 HB2 LYS 52 2HB LYS 52 0.644 -6.230 9.248 409 HB3 LYS 52 3HB LYS 52 -0.080 -7.538 10.159 410 HG2 LYS 52 2HG LYS 52 2.591 -7.951 8.777 411 HG3 LYS 52 3HG LYS 52 2.522 -7.067 10.305 412 HD2 LYS 52 2HD LYS 52 1.705 -8.910 11.514 413 HD3 LYS 52 3HD LYS 52 1.200 -9.772 10.058 414 HE2 LYS 52 2HE LYS 52 3.589 -9.946 9.341 415 HE3 LYS 52 3HE LYS 52 4.079 -9.202 10.872 416 HZ1 LYS 52 3HZ LYS 52 3.065 -11.077 12.013 417 HZ2 LYS 52 1HZ LYS 52 2.607 -11.749 10.577 418 HZ3 LYS 52 2HZ LYS 52 4.199 -11.607 10.942 419 H THR 53 H THR 53 -2.336 -8.377 8.812 420 HA THR 53 HA THR 53 -1.964 -11.151 9.482 421 HB THR 53 HB THR 53 -4.478 -10.915 9.895 422 HG1 THR 53 1HG THR 53 -5.343 -8.926 9.687 423 HG21 THR 53 1HG2 THR 53 -2.612 -8.814 11.089 424 HG22 THR 53 2HG2 THR 53 -4.123 -9.394 11.824 425 HG23 THR 53 3HG2 THR 53 -2.742 -10.498 11.629 426 H ILE 54 H ILE 54 -3.790 -9.383 6.900 427 HA ILE 54 HA ILE 54 -4.751 -11.820 5.756 428 HB ILE 54 HB ILE 54 -4.406 -9.064 4.552 429 HG12 ILE 54 2HG1 ILE 54 -5.981 -9.508 6.592 430 HG13 ILE 54 3HG1 ILE 54 -6.519 -8.532 5.241 431 HG21 ILE 54 1HG2 ILE 54 -4.509 -10.623 2.694 432 HG22 ILE 54 2HG2 ILE 54 -5.879 -11.470 3.413 433 HG23 ILE 54 3HG2 ILE 54 -6.059 -9.796 2.824 434 HD11 ILE 54 3HD1 ILE 54 -8.208 -10.178 6.022 435 HD12 ILE 54 1HD1 ILE 54 -7.773 -10.379 4.314 436 HD13 ILE 54 2HD1 ILE 54 -7.104 -11.492 5.538 437 H SER 55 H SER 55 -1.696 -10.104 5.323 438 HA SER 55 HA SER 55 -0.912 -11.854 3.075 439 HB2 SER 55 2HB SER 55 1.226 -10.747 3.180 440 HB3 SER 55 3HB SER 55 0.019 -9.477 3.400 441 HG SER 55 HG SER 55 0.587 -9.237 5.407 442 H THR 56 H THR 56 -0.301 -11.563 6.506 443 HA THR 56 HA THR 56 0.792 -12.777 8.010 444 HB THR 56 HB THR 56 0.025 -14.963 6.074 445 HG1 THR 56 1HG THR 56 -1.519 -13.835 7.361 446 HG21 THR 56 1HG2 THR 56 1.377 -15.293 8.798 447 HG22 THR 56 2HG2 THR 56 0.477 -16.575 7.958 448 HG23 THR 56 3HG2 THR 56 1.957 -15.926 7.236 449 H ASP 57 H ASP 57 2.167 -11.939 5.023 450 HA ASP 57 HA ASP 57 4.846 -12.686 5.844 451 HB2 ASP 57 2HB ASP 57 3.898 -14.776 4.831 452 HB3 ASP 57 3HB ASP 57 3.551 -13.871 3.351 453 H LEU 58 H LEU 58 6.255 -11.383 4.879 454 HA LEU 58 HA LEU 58 5.462 -8.922 3.572 455 HB2 LEU 58 2HB LEU 58 8.081 -10.284 4.248 456 HB3 LEU 58 3HB LEU 58 8.081 -8.879 3.187 457 HG LEU 58 HG LEU 58 6.518 -8.607 5.736 458 HD11 LEU 58 1HD1 LEU 58 9.564 -8.563 5.651 459 HD12 LEU 58 2HD1 LEU 58 8.554 -7.999 7.002 460 HD13 LEU 58 3HD1 LEU 58 8.547 -9.713 6.550 461 HD21 LEU 58 3HD2 LEU 58 6.701 -6.791 4.022 462 HD22 LEU 58 1HD2 LEU 58 7.391 -6.313 5.587 463 HD23 LEU 58 2HD2 LEU 58 8.462 -6.777 4.253 464 H GLN 59 H GLN 59 6.230 -12.088 2.452 465 HA GLN 59 HA GLN 59 7.008 -11.381 -0.222 466 HB2 GLN 59 2HB GLN 59 7.510 -13.530 0.850 467 HB3 GLN 59 3HB GLN 59 5.785 -13.925 0.902 468 HG2 GLN 59 2HG GLN 59 5.641 -14.347 -1.370 469 HG3 GLN 59 3HG GLN 59 6.854 -13.135 -1.786 470 HE21 GLN 59 1HE2 GLN 59 9.203 -13.705 -0.970 471 HE22 GLN 59 2HE2 GLN 59 9.642 -15.379 -1.285 472 H LEU 60 H LEU 60 3.865 -12.458 1.246 473 HA LEU 60 HA LEU 60 2.432 -12.084 -1.235 474 HB2 LEU 60 2HB LEU 60 1.825 -13.193 1.281 475 HB3 LEU 60 3HB LEU 60 0.867 -11.724 1.256 476 HG LEU 60 HG LEU 60 -0.476 -13.519 0.464 477 HD11 LEU 60 1HD1 LEU 60 -1.212 -12.764 -1.704 478 HD12 LEU 60 2HD1 LEU 60 -0.748 -11.348 -0.741 479 HD13 LEU 60 3HD1 LEU 60 0.328 -11.953 -2.020 480 HD21 LEU 60 3HD2 LEU 60 0.084 -14.903 -1.480 481 HD22 LEU 60 1HD2 LEU 60 1.643 -14.089 -1.651 482 HD23 LEU 60 2HD2 LEU 60 1.313 -15.068 -0.206 483 H ILE 61 H ILE 61 3.315 -9.947 1.433 484 HA ILE 61 HA ILE 61 1.569 -7.819 0.557 485 HB ILE 61 HB ILE 61 3.303 -8.279 2.745 486 HG12 ILE 61 2HG1 ILE 61 0.996 -7.425 2.736 487 HG13 ILE 61 3HG1 ILE 61 2.083 -6.497 3.762 488 HG21 ILE 61 1HG2 ILE 61 4.094 -5.664 1.391 489 HG22 ILE 61 2HG2 ILE 61 4.436 -6.121 3.067 490 HG23 ILE 61 3HG2 ILE 61 5.151 -7.042 1.742 491 HD11 ILE 61 3HD1 ILE 61 2.180 -4.678 2.176 492 HD12 ILE 61 1HD1 ILE 61 1.338 -5.629 0.931 493 HD13 ILE 61 2HD1 ILE 61 0.478 -5.128 2.389 494 H THR 62 H THR 62 4.829 -8.842 -0.346 495 HA THR 62 HA THR 62 5.373 -6.375 -1.837 496 HB THR 62 HB THR 62 6.810 -9.059 -1.729 497 HG1 THR 62 1HG THR 62 6.942 -7.857 0.147 498 HG21 THR 62 1HG2 THR 62 8.713 -7.832 -2.764 499 HG22 THR 62 2HG2 THR 62 7.343 -7.964 -3.878 500 HG23 THR 62 3HG2 THR 62 7.656 -6.430 -3.032 501 H GLU 63 H GLU 63 4.146 -9.657 -2.530 502 HA GLU 63 HA GLU 63 4.185 -9.293 -5.388 503 HB2 GLU 63 2HB GLU 63 4.046 -11.560 -4.354 504 HB3 GLU 63 3HB GLU 63 2.446 -11.147 -3.695 505 HG2 GLU 63 2HG GLU 63 1.652 -10.700 -6.047 506 HG3 GLU 63 3HG GLU 63 3.234 -11.195 -6.653 507 H ALA 64 H ALA 64 1.814 -8.732 -2.812 508 HA ALA 64 HA ALA 64 -0.434 -8.103 -4.432 509 HB1 ALA 64 1HB ALA 64 -1.205 -6.776 -2.517 510 HB2 ALA 64 2HB ALA 64 -0.482 -8.316 -1.973 511 HB3 ALA 64 3HB ALA 64 0.427 -6.797 -1.812 512 H LEU 65 H LEU 65 2.242 -6.030 -3.275 513 HA LEU 65 HA LEU 65 1.255 -3.641 -4.528 514 HB2 LEU 65 2HB LEU 65 3.917 -4.534 -3.389 515 HB3 LEU 65 3HB LEU 65 3.743 -2.963 -4.164 516 HG LEU 65 HG LEU 65 1.872 -3.848 -1.943 517 HD11 LEU 65 1HD1 LEU 65 3.267 -2.648 -0.386 518 HD12 LEU 65 2HD1 LEU 65 4.282 -3.838 -1.198 519 HD13 LEU 65 3HD1 LEU 65 4.365 -2.127 -1.694 520 HD21 LEU 65 3HD2 LEU 65 1.192 -1.889 -3.455 521 HD22 LEU 65 1HD2 LEU 65 1.384 -1.472 -1.764 522 HD23 LEU 65 2HD2 LEU 65 2.668 -1.066 -2.924 523 H LYS 66 H LYS 66 3.538 -6.170 -5.536 524 HA LYS 66 HA LYS 66 4.353 -4.967 -7.990 525 HB2 LYS 66 2HB LYS 66 5.429 -6.912 -6.814 526 HB3 LYS 66 3HB LYS 66 4.093 -7.934 -7.375 527 HG2 LYS 66 2HG LYS 66 4.690 -7.428 -9.726 528 HG3 LYS 66 3HG LYS 66 5.995 -6.358 -9.168 529 HD2 LYS 66 2HD LYS 66 7.099 -8.272 -8.057 530 HD3 LYS 66 3HD LYS 66 5.773 -9.342 -8.575 531 HE2 LYS 66 2HE LYS 66 6.282 -8.780 -10.953 532 HE3 LYS 66 3HE LYS 66 7.635 -7.772 -10.416 533 HZ1 LYS 66 3HZ LYS 66 8.651 -9.742 -9.476 534 HZ2 LYS 66 1HZ LYS 66 7.387 -10.680 -9.964 535 HZ3 LYS 66 2HZ LYS 66 8.362 -9.963 -11.079 536 H LYS 67 H LYS 67 1.456 -6.772 -7.139 537 HA LYS 67 HA LYS 67 0.471 -6.585 -9.953 538 HB2 LYS 67 2HB LYS 67 -0.192 -8.500 -7.670 539 HB3 LYS 67 3HB LYS 67 -1.123 -8.399 -9.177 540 HG2 LYS 67 2HG LYS 67 0.830 -8.976 -10.507 541 HG3 LYS 67 3HG LYS 67 1.868 -8.979 -9.073 542 HD2 LYS 67 2HD LYS 67 1.242 -11.253 -9.794 543 HD3 LYS 67 3HD LYS 67 0.708 -10.894 -8.147 544 HE2 LYS 67 2HE LYS 67 -1.562 -10.588 -8.822 545 HE3 LYS 67 3HE LYS 67 -1.131 -10.582 -10.544 546 HZ1 LYS 67 3HZ LYS 67 -2.047 -12.709 -9.755 547 HZ2 LYS 67 1HZ LYS 67 -0.532 -12.872 -10.375 548 HZ3 LYS 67 2HZ LYS 67 -0.743 -12.892 -8.747 549 H SER 68 H SER 68 0.449 -4.225 -8.406 550 HA SER 68 HA SER 68 -2.005 -4.024 -6.983 551 HB2 SER 68 2HB SER 68 0.014 -2.042 -8.032 552 HB3 SER 68 3HB SER 68 -1.514 -1.494 -7.293 553 HG SER 68 HG SER 68 0.273 -3.331 -6.152 554 H THR 69 H THR 69 -3.608 -2.269 -7.551 555 HA THR 69 HA THR 69 -4.657 -2.653 -10.311 556 HB THR 69 HB THR 69 -5.924 -3.968 -8.734 557 HG1 THR 69 1HG THR 69 -7.055 -2.199 -10.265 558 HG21 THR 69 1HG2 THR 69 -7.010 -1.625 -7.191 559 HG22 THR 69 2HG2 THR 69 -6.886 -3.319 -6.715 560 HG23 THR 69 3HG2 THR 69 -5.467 -2.276 -6.668 561 H ARG 70 H ARG 70 -4.750 -0.519 -7.415 562 HA ARG 70 HA ARG 70 -5.445 1.722 -9.198 563 HB2 ARG 70 2HB ARG 70 -6.636 0.711 -6.951 564 HB3 ARG 70 3HB ARG 70 -5.620 1.932 -6.206 565 HG2 ARG 70 2HG ARG 70 -6.955 3.599 -6.928 566 HG3 ARG 70 3HG ARG 70 -7.024 2.971 -8.577 567 HD2 ARG 70 2HD ARG 70 -8.695 2.044 -6.228 568 HD3 ARG 70 3HD ARG 70 -9.267 2.996 -7.613 569 HE ARG 70 HE ARG 70 -8.290 0.804 -8.873 570 HH11 ARG 70 2HH2 ARG 70 -10.278 0.962 -5.958 571 HH12 ARG 70 1HH2 ARG 70 -10.878 -0.574 -6.151 572 HH21 ARG 70 2HH1 ARG 70 -9.203 -1.247 -9.170 573 HH22 ARG 70 1HH1 ARG 70 -10.507 -1.784 -8.155 574 H LEU 71 H LEU 71 -2.678 0.481 -7.658 575 HA LEU 71 HA LEU 71 -1.368 3.083 -7.649 576 HB2 LEU 71 2HB LEU 71 -0.399 1.144 -5.633 577 HB3 LEU 71 3HB LEU 71 -0.578 2.871 -5.555 578 HG LEU 71 HG LEU 71 -2.931 0.985 -5.184 579 HD11 LEU 71 1HD1 LEU 71 -1.184 0.440 -3.550 580 HD12 LEU 71 2HD1 LEU 71 -1.062 2.151 -3.086 581 HD13 LEU 71 3HD1 LEU 71 -2.557 1.247 -2.773 582 HD21 LEU 71 3HD2 LEU 71 -3.430 3.454 -5.603 583 HD22 LEU 71 1HD2 LEU 71 -3.953 2.860 -4.024 584 HD23 LEU 71 2HD2 LEU 71 -2.473 3.827 -4.161 585 H GLN 72 H GLN 72 1.118 2.488 -7.568 586 HA GLN 72 HA GLN 72 1.775 0.137 -9.265 587 HB2 GLN 72 2HB GLN 72 1.824 3.081 -9.902 588 HB3 GLN 72 3HB GLN 72 3.251 2.170 -10.369 589 HG2 GLN 72 2HG GLN 72 0.712 0.826 -11.126 590 HG3 GLN 72 3HG GLN 72 0.943 2.407 -11.875 591 HE21 GLN 72 1HE2 GLN 72 2.279 2.511 -13.695 592 HE22 GLN 72 2HE2 GLN 72 3.407 1.227 -14.109 593 H VAL 73 H VAL 73 3.446 -0.852 -8.199 594 HA VAL 73 HA VAL 73 5.055 0.724 -6.301 595 HB VAL 73 HB VAL 73 4.018 -1.497 -5.741 596 HG11 VAL 73 1HG1 VAL 73 6.315 -2.628 -7.397 597 HG12 VAL 73 2HG1 VAL 73 5.207 -3.537 -6.369 598 HG13 VAL 73 3HG1 VAL 73 4.592 -2.721 -7.827 599 HG21 VAL 73 3HG2 VAL 73 5.730 -0.567 -4.308 600 HG22 VAL 73 1HG2 VAL 73 6.006 -2.302 -4.470 601 HG23 VAL 73 2HG2 VAL 73 7.015 -1.163 -5.379 602 H SER 74 H SER 74 7.246 0.948 -6.523 603 HA SER 74 HA SER 74 8.333 0.809 -9.226 604 HB2 SER 74 2HB SER 74 8.860 2.327 -6.946 605 HB3 SER 74 3HB SER 74 10.250 1.241 -7.035 606 HG SER 74 HG SER 74 10.857 2.248 -8.842 607 H GLU 75 H GLU 75 10.260 -0.419 -9.776 608 HA GLU 75 HA GLU 75 10.170 -3.149 -9.108 609 HB2 GLU 75 2HB GLU 75 12.267 -1.317 -10.312 610 HB3 GLU 75 3HB GLU 75 12.578 -3.049 -10.086 611 HG2 GLU 75 2HG GLU 75 10.726 -3.675 -11.483 612 HG3 GLU 75 3HG GLU 75 10.107 -2.020 -11.534 613 H ASP 76 H ASP 76 11.409 -0.510 -7.200 614 HA ASP 76 HA ASP 76 13.456 -1.977 -5.812 615 HB2 ASP 76 2HB ASP 76 12.830 0.655 -6.054 616 HB3 ASP 76 3HB ASP 76 11.988 0.317 -4.542 617 H GLY 77 H GLY 77 9.928 -1.652 -5.594 618 HA2 GLY 77 2HA GLY 77 8.394 -2.443 -3.998 619 HA3 GLY 77 3HA GLY 77 9.591 -3.698 -3.620 620 H LYS 78 H LYS 78 10.261 -0.267 -3.372 621 HA LYS 78 HA LYS 78 9.829 -0.261 -0.415 622 HB2 LYS 78 2HB LYS 78 12.049 1.000 -2.067 623 HB3 LYS 78 3HB LYS 78 11.758 1.394 -0.379 624 HG2 LYS 78 2HG LYS 78 12.355 -1.438 -1.352 625 HG3 LYS 78 3HG LYS 78 13.578 -0.308 -0.786 626 HD2 LYS 78 2HD LYS 78 13.202 -0.839 1.328 627 HD3 LYS 78 3HD LYS 78 11.506 -0.347 1.205 628 HE2 LYS 78 2HE LYS 78 10.889 -2.575 0.371 629 HE3 LYS 78 3HE LYS 78 12.584 -3.071 0.365 630 HZ1 LYS 78 3HZ LYS 78 11.414 -3.835 2.334 631 HZ2 LYS 78 1HZ LYS 78 12.619 -2.799 2.758 632 HZ3 LYS 78 2HZ LYS 78 11.058 -2.297 2.789 633 H MET 79 H MET 79 8.704 0.985 -3.407 634 HA MET 79 HA MET 79 7.199 2.871 -1.825 635 HB2 MET 79 2HB MET 79 7.671 4.765 -3.413 636 HB3 MET 79 3HB MET 79 9.000 4.372 -2.320 637 HG2 MET 79 2HG MET 79 8.832 3.469 -5.212 638 HG3 MET 79 3HG MET 79 9.623 4.945 -4.674 639 HE1 MET 79 3HE MET 79 12.976 3.383 -5.303 640 HE2 MET 79 1HE MET 79 11.561 3.559 -6.372 641 HE3 MET 79 2HE MET 79 11.996 4.863 -5.239 642 H VAL 80 H VAL 80 5.292 3.618 -2.849 643 HA VAL 80 HA VAL 80 4.638 2.484 -5.454 644 HB VAL 80 HB VAL 80 3.881 0.744 -3.982 645 HG11 VAL 80 1HG1 VAL 80 2.378 1.162 -2.039 646 HG12 VAL 80 2HG1 VAL 80 3.995 1.831 -1.804 647 HG13 VAL 80 3HG1 VAL 80 2.634 2.897 -2.249 648 HG21 VAL 80 3HG2 VAL 80 1.461 2.520 -4.453 649 HG22 VAL 80 1HG2 VAL 80 2.190 1.426 -5.655 650 HG23 VAL 80 2HG2 VAL 80 1.463 0.768 -4.188 651 H ARG 81 H ARG 81 3.061 3.709 -6.517 652 HA ARG 81 HA ARG 81 2.282 6.228 -5.131 653 HB2 ARG 81 2HB ARG 81 2.431 7.400 -7.311 654 HB3 ARG 81 3HB ARG 81 3.984 6.979 -6.613 655 HG2 ARG 81 2HG ARG 81 2.780 5.173 -8.725 656 HG3 ARG 81 3HG ARG 81 3.568 6.696 -9.156 657 HD2 ARG 81 2HD ARG 81 5.562 5.951 -7.748 658 HD3 ARG 81 3HD ARG 81 4.827 4.341 -7.714 659 HE ARG 81 HE ARG 81 4.942 5.301 -10.392 660 HH11 ARG 81 2HH2 ARG 81 7.012 4.071 -7.825 661 HH12 ARG 81 1HH2 ARG 81 8.328 3.609 -8.855 662 HH21 ARG 81 2HH1 ARG 81 6.698 4.698 -11.825 663 HH22 ARG 81 1HH1 ARG 81 8.117 3.954 -11.179 664 H ARG 82 H ARG 82 0.259 6.832 -5.425 665 HA ARG 82 HA ARG 82 -1.719 4.955 -6.464 666 HB2 ARG 82 2HB ARG 82 -3.305 6.730 -5.738 667 HB3 ARG 82 3HB ARG 82 -2.114 6.377 -4.486 668 HG2 ARG 82 2HG ARG 82 -0.776 8.366 -5.138 669 HG3 ARG 82 3HG ARG 82 -1.910 8.743 -6.441 670 HD2 ARG 82 2HD ARG 82 -2.706 8.395 -3.560 671 HD3 ARG 82 3HD ARG 82 -2.169 9.969 -4.219 672 HE ARG 82 HE ARG 82 -4.184 9.179 -5.918 673 HH11 ARG 82 2HH2 ARG 82 -3.672 9.819 -2.477 674 HH12 ARG 82 1HH2 ARG 82 -5.305 10.313 -2.152 675 HH21 ARG 82 2HH1 ARG 82 -6.385 9.817 -5.526 676 HH22 ARG 82 1HH1 ARG 82 -6.931 10.251 -3.936 677 H LEU 83 H LEU 83 -3.595 6.325 -7.762 678 HA LEU 83 HA LEU 83 -2.336 7.472 -10.162 679 HB2 LEU 83 2HB LEU 83 -4.485 7.389 -11.196 680 HB3 LEU 83 3HB LEU 83 -4.107 5.801 -10.571 681 HG LEU 83 HG LEU 83 -5.787 7.610 -8.810 682 HD11 LEU 83 1HD1 LEU 83 -7.829 6.921 -10.046 683 HD12 LEU 83 2HD1 LEU 83 -6.803 8.005 -10.961 684 HD13 LEU 83 3HD1 LEU 83 -6.793 6.269 -11.347 685 HD21 LEU 83 3HD2 LEU 83 -6.999 5.455 -8.466 686 HD22 LEU 83 1HD2 LEU 83 -5.800 4.657 -9.508 687 HD23 LEU 83 2HD2 LEU 83 -5.310 5.391 -7.966 688 H ASP 84 H ASP 84 -3.042 9.564 -10.897 689 HA ASP 84 HA ASP 84 -3.162 11.466 -8.767 690 HB2 ASP 84 2HB ASP 84 -2.101 11.528 -11.242 691 HB3 ASP 84 3HB ASP 84 -3.617 12.358 -11.593 692 HA PRO 85 HA PRO 85 -7.613 12.363 -10.216 693 HB2 PRO 85 2HB PRO 85 -8.875 10.214 -11.617 694 HB3 PRO 85 3HB PRO 85 -8.438 11.824 -12.242 695 HG2 PRO 85 2HG PRO 85 -7.165 9.252 -12.795 696 HG3 PRO 85 3HG PRO 85 -6.880 10.831 -13.561 697 HD2 PRO 85 2HD PRO 85 -5.235 9.476 -11.623 698 HD3 PRO 85 3HD PRO 85 -4.956 11.043 -12.415 699 H LEU 86 H LEU 86 -9.846 11.195 -9.579 700 HA LEU 86 HA LEU 86 -9.215 10.017 -7.010 701 HB2 LEU 86 2HB LEU 86 -11.919 10.497 -8.340 702 HB3 LEU 86 3HB LEU 86 -11.659 9.932 -6.694 703 HG LEU 86 HG LEU 86 -10.136 12.121 -6.497 704 HD11 LEU 86 1HD1 LEU 86 -11.297 14.024 -7.694 705 HD12 LEU 86 2HD1 LEU 86 -10.374 12.983 -8.769 706 HD13 LEU 86 3HD1 LEU 86 -12.145 12.825 -8.689 707 HD21 LEU 86 3HD2 LEU 86 -12.066 11.609 -5.086 708 HD22 LEU 86 1HD2 LEU 86 -12.099 13.307 -5.585 709 HD23 LEU 86 2HD2 LEU 86 -13.175 12.132 -6.375 710 HA PRO 87 HA PRO 87 -9.369 5.864 -8.427 711 HB2 PRO 87 2HB PRO 87 -9.688 4.515 -6.065 712 HB3 PRO 87 3HB PRO 87 -8.205 5.430 -6.467 713 HG2 PRO 87 2HG PRO 87 -10.509 6.316 -4.722 714 HG3 PRO 87 3HG PRO 87 -8.734 6.478 -4.444 715 HD2 PRO 87 2HD PRO 87 -10.268 8.510 -5.452 716 HD3 PRO 87 3HD PRO 87 -8.541 8.269 -5.873 717 H GLU 88 H GLU 88 -11.127 5.330 -9.701 718 HA GLU 88 HA GLU 88 -13.511 4.290 -8.300 719 HB2 GLU 88 2HB GLU 88 -14.939 5.397 -10.039 720 HB3 GLU 88 3HB GLU 88 -14.213 6.460 -8.838 721 HG2 GLU 88 2HG GLU 88 -12.417 7.056 -10.543 722 HG3 GLU 88 3HG GLU 88 -13.345 6.156 -11.742 723 H ASN 89 H ASN 89 -13.302 2.167 -8.788 724 HA ASN 89 HA ASN 89 -12.766 0.241 -9.884 725 HB2 ASN 89 2HB ASN 89 -14.413 1.715 -11.951 726 HB3 ASN 89 3HB ASN 89 -13.967 0.016 -12.075 727 HD21 ASN 89 1HD2 ASN 89 -16.089 -0.855 -11.924 728 HD22 ASN 89 2HD2 ASN 89 -16.986 -0.751 -10.414 729 H ILE 90 H ILE 90 -10.464 1.676 -9.971 730 HA ILE 90 HA ILE 90 -9.678 1.693 -12.812 731 HB ILE 90 HB ILE 90 -8.385 2.653 -10.248 732 HG12 ILE 90 2HG1 ILE 90 -10.189 4.049 -11.232 733 HG13 ILE 90 3HG1 ILE 90 -8.649 4.859 -11.063 734 HG21 ILE 90 1HG2 ILE 90 -6.497 1.882 -11.515 735 HG22 ILE 90 2HG2 ILE 90 -7.119 2.598 -13.008 736 HG23 ILE 90 3HG2 ILE 90 -6.549 3.641 -11.682 737 HD11 ILE 90 3HD1 ILE 90 -9.755 5.406 -13.203 738 HD12 ILE 90 1HD1 ILE 90 -8.197 4.613 -13.472 739 HD13 ILE 90 2HD1 ILE 90 -9.712 3.701 -13.679 740 H ASP 91 H ASP 91 -8.401 0.130 -13.736 741 HA ASP 91 HA ASP 91 -6.570 -1.464 -12.255 742 HB2 ASP 91 2HB ASP 91 -7.456 -3.631 -13.152 743 HB3 ASP 91 3HB ASP 91 -8.447 -2.925 -11.888 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -2.182 -16.696 -0.360 2 H2 MET 1 H2 MET 1 -0.667 -16.371 0.185 3 H3 MET 1 H3 MET 1 -1.093 -15.940 -1.349 4 HA MET 1 HA MET 1 0.317 -17.880 -1.272 5 HB2 MET 1 2HB MET 1 -1.079 -18.572 0.931 6 HB3 MET 1 3HB MET 1 -1.938 -19.558 -0.268 7 HG2 MET 1 2HG MET 1 0.281 -20.440 -1.040 8 HG3 MET 1 3HG MET 1 1.073 -19.453 0.196 9 HE1 MET 1 1HE MET 1 1.625 -22.493 -0.180 10 HE2 MET 1 2HE MET 1 2.382 -21.522 1.105 11 HE3 MET 1 3HE MET 1 1.616 -23.078 1.501 12 H SER 2 H SER 2 -2.858 -16.857 -2.440 13 HA SER 2 HA SER 2 -2.165 -18.158 -4.947 14 HB2 SER 2 2HB SER 2 -3.717 -19.740 -3.717 15 HB3 SER 2 3HB SER 2 -4.930 -18.441 -3.684 16 HG SER 2 HG SER 2 -5.054 -19.966 -5.485 17 H GLU 3 H GLU 3 -4.091 -17.245 -6.518 18 HA GLU 3 HA GLU 3 -3.839 -14.376 -6.570 19 HB2 GLU 3 2HB GLU 3 -5.670 -16.358 -7.972 20 HB3 GLU 3 3HB GLU 3 -5.863 -14.623 -8.214 21 HG2 GLU 3 2HG GLU 3 -3.196 -15.998 -8.687 22 HG3 GLU 3 3HG GLU 3 -4.457 -15.917 -9.922 23 H GLU 4 H GLU 4 -6.323 -16.493 -5.092 24 HA GLU 4 HA GLU 4 -8.148 -14.379 -4.489 25 HB2 GLU 4 2HB GLU 4 -7.457 -16.948 -3.013 26 HB3 GLU 4 3HB GLU 4 -8.754 -15.848 -2.506 27 HG2 GLU 4 2HG GLU 4 -9.862 -16.087 -4.692 28 HG3 GLU 4 3HG GLU 4 -8.583 -17.182 -5.242 29 H THR 5 H THR 5 -5.215 -15.531 -2.718 30 HA THR 5 HA THR 5 -5.658 -13.711 -0.523 31 HB THR 5 HB THR 5 -2.884 -14.594 -1.251 32 HG1 THR 5 1HG THR 5 -4.949 -16.351 -0.475 33 HG21 THR 5 1HG2 THR 5 -4.495 -14.671 1.340 34 HG22 THR 5 2HG2 THR 5 -2.764 -15.032 1.180 35 HG23 THR 5 3HG2 THR 5 -3.362 -13.395 0.866 36 H SER 6 H SER 6 -3.553 -13.641 -3.444 37 HA SER 6 HA SER 6 -2.276 -11.212 -2.874 38 HB2 SER 6 2HB SER 6 -1.785 -12.987 -4.700 39 HB3 SER 6 3HB SER 6 -2.972 -12.113 -5.688 40 HG SER 6 HG SER 6 -0.418 -11.552 -5.194 41 H THR 7 H THR 7 -5.261 -11.876 -4.630 42 HA THR 7 HA THR 7 -5.946 -9.192 -5.200 43 HB THR 7 HB THR 7 -7.659 -11.689 -5.091 44 HG1 THR 7 1HG THR 7 -6.174 -11.847 -6.677 45 HG21 THR 7 1HG2 THR 7 -8.248 -8.929 -6.240 46 HG22 THR 7 2HG2 THR 7 -9.158 -10.401 -6.644 47 HG23 THR 7 3HG2 THR 7 -9.169 -9.796 -4.980 48 H GLN 8 H GLN 8 -6.697 -11.175 -2.355 49 HA GLN 8 HA GLN 8 -8.622 -9.365 -1.193 50 HB2 GLN 8 2HB GLN 8 -6.627 -11.358 -0.038 51 HB3 GLN 8 3HB GLN 8 -7.665 -10.392 0.974 52 HG2 GLN 8 2HG GLN 8 -8.998 -11.929 -1.241 53 HG3 GLN 8 3HG GLN 8 -8.353 -12.847 0.127 54 HE21 GLN 8 1HE2 GLN 8 -9.999 -13.303 1.581 55 HE22 GLN 8 2HE2 GLN 8 -11.232 -12.128 2.016 56 H ILE 9 H ILE 9 -5.075 -9.513 -1.303 57 HA ILE 9 HA ILE 9 -4.904 -7.367 0.716 58 HB ILE 9 HB ILE 9 -2.646 -8.502 -0.953 59 HG12 ILE 9 2HG1 ILE 9 -2.999 -9.490 1.862 60 HG13 ILE 9 3HG1 ILE 9 -4.048 -10.216 0.657 61 HG21 ILE 9 1HG2 ILE 9 -1.274 -7.789 1.004 62 HG22 ILE 9 2HG2 ILE 9 -2.132 -6.424 0.284 63 HG23 ILE 9 3HG2 ILE 9 -2.740 -7.157 1.785 64 HD11 ILE 9 3HD1 ILE 9 -2.108 -10.721 -0.783 65 HD12 ILE 9 1HD1 ILE 9 -1.024 -10.005 0.409 66 HD13 ILE 9 2HD1 ILE 9 -1.946 -11.480 0.803 67 H LEU 10 H LEU 10 -4.842 -7.849 -2.761 68 HA LEU 10 HA LEU 10 -3.583 -5.480 -3.611 69 HB2 LEU 10 2HB LEU 10 -4.652 -7.697 -4.836 70 HB3 LEU 10 3HB LEU 10 -5.876 -6.507 -5.235 71 HG LEU 10 HG LEU 10 -3.672 -5.085 -5.854 72 HD11 LEU 10 1HD1 LEU 10 -2.250 -6.939 -4.939 73 HD12 LEU 10 2HD1 LEU 10 -2.808 -7.987 -6.253 74 HD13 LEU 10 3HD1 LEU 10 -1.879 -6.518 -6.610 75 HD21 LEU 10 3HD2 LEU 10 -3.955 -5.866 -8.173 76 HD22 LEU 10 1HD2 LEU 10 -4.708 -7.372 -7.611 77 HD23 LEU 10 2HD2 LEU 10 -5.549 -5.827 -7.406 78 H LYS 11 H LYS 11 -6.953 -6.332 -3.179 79 HA LYS 11 HA LYS 11 -7.984 -3.676 -3.618 80 HB2 LYS 11 2HB LYS 11 -9.073 -6.263 -2.473 81 HB3 LYS 11 3HB LYS 11 -10.041 -4.773 -2.499 82 HG2 LYS 11 2HG LYS 11 -10.026 -4.588 -4.815 83 HG3 LYS 11 3HG LYS 11 -8.613 -5.642 -5.034 84 HD2 LYS 11 2HD LYS 11 -9.789 -7.587 -4.560 85 HD3 LYS 11 3HD LYS 11 -11.141 -6.703 -3.803 86 HE2 LYS 11 2HE LYS 11 -11.123 -5.535 -6.271 87 HE3 LYS 11 3HE LYS 11 -10.585 -7.171 -6.717 88 HZ1 LYS 11 3HZ LYS 11 -12.988 -6.407 -5.199 89 HZ2 LYS 11 1HZ LYS 11 -13.000 -6.853 -6.760 90 HZ3 LYS 11 2HZ LYS 11 -12.610 -7.969 -5.578 91 H GLN 12 H GLN 12 -6.920 -5.507 -0.730 92 HA GLN 12 HA GLN 12 -7.964 -3.525 1.036 93 HB2 GLN 12 2HB GLN 12 -7.049 -5.894 1.650 94 HB3 GLN 12 3HB GLN 12 -5.476 -5.088 1.742 95 HG2 GLN 12 2HG GLN 12 -6.338 -5.032 3.943 96 HG3 GLN 12 3HG GLN 12 -6.654 -3.404 3.345 97 HE21 GLN 12 1HE2 GLN 12 -9.031 -2.946 2.584 98 HE22 GLN 12 2HE2 GLN 12 -10.270 -3.982 3.201 99 H VAL 13 H VAL 13 -4.986 -3.682 -0.844 100 HA VAL 13 HA VAL 13 -3.582 -1.552 0.531 101 HB VAL 13 HB VAL 13 -3.218 -3.243 -1.937 102 HG11 VAL 13 1HG1 VAL 13 -1.642 -0.715 -1.354 103 HG12 VAL 13 2HG1 VAL 13 -1.118 -2.025 -2.445 104 HG13 VAL 13 3HG1 VAL 13 -2.581 -1.120 -2.823 105 HG21 VAL 13 3HG2 VAL 13 -1.380 -2.559 0.393 106 HG22 VAL 13 1HG2 VAL 13 -2.481 -3.951 0.366 107 HG23 VAL 13 2HG2 VAL 13 -1.159 -3.848 -0.811 108 H GLU 14 H GLU 14 -5.438 -1.806 -2.586 109 HA GLU 14 HA GLU 14 -5.210 1.003 -2.976 110 HB2 GLU 14 2HB GLU 14 -6.562 0.799 -4.796 111 HB3 GLU 14 3HB GLU 14 -5.791 -0.792 -4.711 112 HG2 GLU 14 2HG GLU 14 -7.915 -1.551 -3.488 113 HG3 GLU 14 3HG GLU 14 -8.650 -0.026 -3.993 114 H TYR 15 H TYR 15 -7.463 -0.899 -1.024 115 HA TYR 15 HA TYR 15 -9.564 0.929 -0.780 116 HB2 TYR 15 2HB TYR 15 -10.077 -1.218 -0.109 117 HB3 TYR 15 3HB TYR 15 -8.518 -1.464 0.662 118 HD1 TYR 15 HD1 TYR 15 -7.990 -0.860 2.859 119 HD2 TYR 15 HD2 TYR 15 -11.842 0.052 1.161 120 HE1 TYR 15 HE1 TYR 15 -8.726 -0.074 5.042 121 HE2 TYR 15 HE2 TYR 15 -12.612 0.881 3.363 122 HH TYR 15 HH TYR 15 -11.641 1.786 5.417 123 H TYR 16 H TYR 16 -6.565 0.472 1.197 124 HA TYR 16 HA TYR 16 -7.257 2.520 3.089 125 HB2 TYR 16 2HB TYR 16 -4.698 1.161 2.308 126 HB3 TYR 16 3HB TYR 16 -4.579 2.675 3.171 127 HD1 TYR 16 HD1 TYR 16 -5.732 -0.816 3.423 128 HD2 TYR 16 HD2 TYR 16 -5.239 2.910 5.511 129 HE1 TYR 16 HE1 TYR 16 -5.795 -2.020 5.571 130 HE2 TYR 16 HE2 TYR 16 -5.296 1.724 7.666 131 HH TYR 16 HH TYR 16 -4.863 -0.535 8.568 132 H PHE 17 H PHE 17 -5.930 2.748 -0.178 133 HA PHE 17 HA PHE 17 -5.577 5.664 0.158 134 HB2 PHE 17 2HB PHE 17 -4.871 3.708 -2.048 135 HB3 PHE 17 3HB PHE 17 -4.684 5.450 -2.203 136 HD1 PHE 17 2HD PHE 17 -3.190 6.727 -0.605 137 HD2 PHE 17 1HD PHE 17 -3.256 2.421 -0.761 138 HE1 PHE 17 2HE PHE 17 -1.012 6.656 0.551 139 HE2 PHE 17 1HE PHE 17 -1.115 2.346 0.488 140 HZ PHE 17 HZ PHE 17 -0.008 4.463 1.173 141 H SER 18 H SER 18 -8.058 3.538 -0.837 142 HA SER 18 HA SER 18 -9.297 5.451 -2.691 143 HB2 SER 18 2HB SER 18 -8.921 3.170 -3.519 144 HB3 SER 18 3HB SER 18 -9.856 2.517 -2.161 145 HG SER 18 HG SER 18 -11.626 3.806 -2.956 146 H ASP 19 H ASP 19 -9.499 4.490 0.552 147 HA ASP 19 HA ASP 19 -12.386 5.084 0.852 148 HB2 ASP 19 2HB ASP 19 -11.302 2.986 1.636 149 HB3 ASP 19 3HB ASP 19 -10.189 3.944 2.623 150 H SER 20 H SER 20 -10.325 7.089 0.230 151 HA SER 20 HA SER 20 -9.203 8.917 0.971 152 HB2 SER 20 2HB SER 20 -10.700 10.609 1.890 153 HB3 SER 20 3HB SER 20 -11.465 9.661 0.596 154 HG SER 20 HG SER 20 -12.018 8.491 2.925 155 H ASN 21 H ASN 21 -8.544 6.619 2.567 156 HA ASN 21 HA ASN 21 -8.592 7.564 5.319 157 HB2 ASN 21 2HB ASN 21 -8.361 5.011 4.046 158 HB3 ASN 21 3HB ASN 21 -6.892 5.261 4.993 159 HD21 ASN 21 1HD2 ASN 21 -10.052 4.001 5.264 160 HD22 ASN 21 2HD2 ASN 21 -10.184 4.230 6.971 161 H PHE 22 H PHE 22 -6.281 7.742 2.616 162 HA PHE 22 HA PHE 22 -3.924 7.977 4.113 163 HB2 PHE 22 2HB PHE 22 -3.269 7.854 2.009 164 HB3 PHE 22 3HB PHE 22 -4.805 8.450 1.395 165 HD1 PHE 22 1HD PHE 22 -1.660 9.751 3.046 166 HD2 PHE 22 2HD PHE 22 -4.901 10.444 0.296 167 HE1 PHE 22 1HE PHE 22 -0.749 11.990 2.517 168 HE2 PHE 22 2HE PHE 22 -4.050 12.686 -0.169 169 HZ PHE 22 HZ PHE 22 -1.930 13.485 0.919 170 HA PRO 23 HA PRO 23 -4.438 12.542 4.556 171 HB2 PRO 23 2HB PRO 23 -6.812 13.891 4.293 172 HB3 PRO 23 3HB PRO 23 -5.759 13.502 2.895 173 HG2 PRO 23 2HG PRO 23 -8.179 11.958 3.885 174 HG3 PRO 23 3HG PRO 23 -7.809 12.479 2.209 175 HD2 PRO 23 2HD PRO 23 -7.225 9.983 3.135 176 HD3 PRO 23 3HD PRO 23 -6.203 10.801 1.946 177 H ARG 24 H ARG 24 -6.838 10.276 5.699 178 HA ARG 24 HA ARG 24 -7.445 11.871 8.107 179 HB2 ARG 24 2HB ARG 24 -9.247 10.905 6.633 180 HB3 ARG 24 3HB ARG 24 -8.705 9.280 7.057 181 HG2 ARG 24 2HG ARG 24 -9.328 11.205 9.289 182 HG3 ARG 24 3HG ARG 24 -10.687 10.583 8.351 183 HD2 ARG 24 2HD ARG 24 -10.408 8.387 9.070 184 HD3 ARG 24 3HD ARG 24 -8.684 8.577 9.350 185 HE ARG 24 HE ARG 24 -9.022 9.297 11.438 186 HH11 ARG 24 2HH2 ARG 24 -12.107 9.510 9.744 187 HH12 ARG 24 1HH2 ARG 24 -13.039 10.006 11.114 188 HH21 ARG 24 2HH1 ARG 24 -10.252 9.908 13.329 189 HH22 ARG 24 1HH1 ARG 24 -11.944 10.225 13.213 190 H ASP 25 H ASP 25 -5.326 9.327 7.159 191 HA ASP 25 HA ASP 25 -4.963 8.583 10.018 192 HB2 ASP 25 2HB ASP 25 -5.634 6.684 8.642 193 HB3 ASP 25 3HB ASP 25 -4.331 7.035 7.491 194 H LYS 26 H LYS 26 -3.469 9.877 10.724 195 HA LYS 26 HA LYS 26 -1.494 11.211 9.226 196 HB2 LYS 26 2HB LYS 26 -0.396 11.834 11.234 197 HB3 LYS 26 3HB LYS 26 -2.130 11.950 11.493 198 HG2 LYS 26 2HG LYS 26 -0.843 9.352 12.314 199 HG3 LYS 26 3HG LYS 26 -0.355 10.785 13.212 200 HD2 LYS 26 2HD LYS 26 -2.644 11.283 13.824 201 HD3 LYS 26 3HD LYS 26 -3.253 9.933 12.829 202 HE2 LYS 26 2HE LYS 26 -2.095 8.302 14.181 203 HE3 LYS 26 3HE LYS 26 -1.217 9.562 15.062 204 HZ1 LYS 26 3HZ LYS 26 -4.142 9.190 15.167 205 HZ2 LYS 26 1HZ LYS 26 -3.084 8.657 16.308 206 HZ3 LYS 26 2HZ LYS 26 -3.260 10.271 16.048 207 H PHE 27 H PHE 27 -1.467 7.872 10.221 208 HA PHE 27 HA PHE 27 1.341 7.352 10.063 209 HB2 PHE 27 2HB PHE 27 -0.643 5.895 10.867 210 HB3 PHE 27 3HB PHE 27 -0.953 5.570 9.174 211 HD1 PHE 27 1HD PHE 27 2.312 5.721 11.088 212 HD2 PHE 27 2HD PHE 27 -0.534 3.295 8.940 213 HE1 PHE 27 1HE PHE 27 3.776 3.775 11.355 214 HE2 PHE 27 2HE PHE 27 0.919 1.314 9.266 215 HZ PHE 27 HZ PHE 27 3.082 1.538 10.473 216 H LEU 28 H LEU 28 -1.293 7.112 7.643 217 HA LEU 28 HA LEU 28 0.452 6.647 5.380 218 HB2 LEU 28 2HB LEU 28 -2.402 7.619 5.662 219 HB3 LEU 28 3HB LEU 28 -1.597 7.468 4.084 220 HG LEU 28 HG LEU 28 -1.384 5.039 5.761 221 HD11 LEU 28 1HD1 LEU 28 -3.823 4.469 4.736 222 HD12 LEU 28 2HD1 LEU 28 -3.607 5.116 6.379 223 HD13 LEU 28 3HD1 LEU 28 -4.088 6.168 5.045 224 HD21 LEU 28 3HD2 LEU 28 -2.301 5.560 2.902 225 HD22 LEU 28 1HD2 LEU 28 -0.609 5.292 3.407 226 HD23 LEU 28 2HD2 LEU 28 -1.803 3.997 3.567 227 H ARG 29 H ARG 29 -0.894 9.559 6.833 228 HA ARG 29 HA ARG 29 0.023 11.239 4.681 229 HB2 ARG 29 2HB ARG 29 -1.235 12.731 5.700 230 HB3 ARG 29 3HB ARG 29 -1.516 11.633 7.038 231 HG2 ARG 29 2HG ARG 29 0.535 12.549 8.181 232 HG3 ARG 29 3HG ARG 29 0.752 13.657 6.800 233 HD2 ARG 29 2HD ARG 29 -1.710 14.359 7.278 234 HD3 ARG 29 3HD ARG 29 -1.457 13.607 8.868 235 HE ARG 29 HE ARG 29 0.733 15.286 8.407 236 HH11 ARG 29 2HH2 ARG 29 -2.753 15.616 8.771 237 HH12 ARG 29 1HH2 ARG 29 -2.729 17.282 9.228 238 HH21 ARG 29 2HH1 ARG 29 0.820 17.542 8.979 239 HH22 ARG 29 1HH1 ARG 29 -0.627 18.400 9.356 240 H SER 30 H SER 30 1.601 9.928 7.580 241 HA SER 30 HA SER 30 3.853 11.713 7.441 242 HB2 SER 30 2HB SER 30 3.111 10.357 9.474 243 HB3 SER 30 3HB SER 30 3.781 8.925 8.666 244 HG SER 30 HG SER 30 5.047 11.167 9.751 245 H GLU 31 H GLU 31 3.161 8.360 6.189 246 HA GLU 31 HA GLU 31 5.852 8.168 5.127 247 HB2 GLU 31 2HB GLU 31 5.200 6.082 4.210 248 HB3 GLU 31 3HB GLU 31 4.398 6.249 5.778 249 HG2 GLU 31 2HG GLU 31 2.395 7.106 4.289 250 HG3 GLU 31 3HG GLU 31 3.216 6.181 3.028 251 H ALA 32 H ALA 32 2.669 9.003 3.752 252 HA ALA 32 HA ALA 32 3.481 9.272 1.076 253 HB1 ALA 32 1HB ALA 32 1.323 10.759 2.648 254 HB2 ALA 32 2HB ALA 32 1.399 10.665 0.888 255 HB3 ALA 32 3HB ALA 32 1.132 9.192 1.815 256 H ALA 33 H ALA 33 3.581 11.593 3.781 257 HA ALA 33 HA ALA 33 4.431 13.864 2.278 258 HB1 ALA 33 1HB ALA 33 4.957 14.819 4.509 259 HB2 ALA 33 2HB ALA 33 3.357 14.074 4.463 260 HB3 ALA 33 3HB ALA 33 4.715 13.219 5.242 261 H LYS 34 H LYS 34 6.276 11.116 2.274 262 HA LYS 34 HA LYS 34 8.829 12.610 2.476 263 HB2 LYS 34 2HB LYS 34 7.924 9.797 1.829 264 HB3 LYS 34 3HB LYS 34 9.343 10.403 1.018 265 HG2 LYS 34 2HG LYS 34 10.015 9.208 2.987 266 HG3 LYS 34 3HG LYS 34 10.436 10.909 3.178 267 HD2 LYS 34 2HD LYS 34 7.833 9.831 4.306 268 HD3 LYS 34 3HD LYS 34 9.362 9.570 5.157 269 HE2 LYS 34 2HE LYS 34 9.795 12.000 5.202 270 HE3 LYS 34 3HE LYS 34 8.259 12.299 4.375 271 HZ1 LYS 34 3HZ LYS 34 8.515 11.003 7.009 272 HZ2 LYS 34 1HZ LYS 34 8.040 12.562 6.741 273 HZ3 LYS 34 2HZ LYS 34 7.116 11.314 6.216 274 H ASN 35 H ASN 35 6.353 11.585 0.050 275 HA ASN 35 HA ASN 35 7.431 13.633 -1.745 276 HB2 ASN 35 2HB ASN 35 8.675 11.297 -2.024 277 HB3 ASN 35 3HB ASN 35 7.215 10.883 -2.934 278 HD21 ASN 35 1HD2 ASN 35 6.565 12.871 -4.535 279 HD22 ASN 35 2HD2 ASN 35 7.965 13.533 -5.391 280 H VAL 36 H VAL 36 5.191 14.147 -0.746 281 HA VAL 36 HA VAL 36 3.044 14.653 -1.140 282 HB VAL 36 HB VAL 36 3.932 13.967 -3.923 283 HG11 VAL 36 1HG1 VAL 36 1.031 14.328 -3.134 284 HG12 VAL 36 2HG1 VAL 36 1.672 14.665 -4.764 285 HG13 VAL 36 3HG1 VAL 36 1.772 13.035 -4.121 286 HG21 VAL 36 3HG2 VAL 36 2.630 16.400 -2.651 287 HG22 VAL 36 1HG2 VAL 36 4.382 16.157 -2.849 288 HG23 VAL 36 2HG2 VAL 36 3.339 16.300 -4.276 289 H ASP 37 H ASP 37 3.220 11.726 -3.104 290 HA ASP 37 HA ASP 37 2.151 10.022 -1.009 291 HB2 ASP 37 2HB ASP 37 0.154 11.467 -1.961 292 HB3 ASP 37 3HB ASP 37 0.256 10.399 -3.353 293 H ASN 38 H ASN 38 4.391 10.185 -2.858 294 HA ASN 38 HA ASN 38 3.918 7.896 -4.687 295 HB2 ASN 38 2HB ASN 38 5.968 10.145 -4.801 296 HB3 ASN 38 3HB ASN 38 5.853 8.808 -5.941 297 HD21 ASN 38 1HD2 ASN 38 4.903 9.478 -7.873 298 HD22 ASN 38 2HD2 ASN 38 3.588 10.643 -7.921 299 H TYR 39 H TYR 39 5.296 8.591 -1.692 300 HA TYR 39 HA TYR 39 7.425 6.534 -1.968 301 HB2 TYR 39 2HB TYR 39 7.513 9.268 -0.714 302 HB3 TYR 39 3HB TYR 39 8.372 7.935 0.038 303 HD1 TYR 39 HD2 TYR 39 8.018 8.713 -3.662 304 HD2 TYR 39 HD1 TYR 39 10.633 8.378 -0.246 305 HE1 TYR 39 HE2 TYR 39 9.960 9.117 -5.116 306 HE2 TYR 39 HE1 TYR 39 12.581 8.774 -1.704 307 HH TYR 39 HH TYR 39 13.298 9.311 -3.880 308 H ILE 40 H ILE 40 6.567 4.810 -0.928 309 HA ILE 40 HA ILE 40 5.165 5.205 1.643 310 HB ILE 40 HB ILE 40 4.068 3.652 -0.719 311 HG12 ILE 40 2HG1 ILE 40 3.066 6.256 0.481 312 HG13 ILE 40 3HG1 ILE 40 3.767 6.073 -1.127 313 HG21 ILE 40 1HG2 ILE 40 2.442 4.316 1.711 314 HG22 ILE 40 2HG2 ILE 40 2.333 2.903 0.655 315 HG23 ILE 40 3HG2 ILE 40 3.615 3.006 1.865 316 HD11 ILE 40 3HD1 ILE 40 1.122 6.122 -0.674 317 HD12 ILE 40 1HD1 ILE 40 1.845 5.263 -2.054 318 HD13 ILE 40 2HD1 ILE 40 1.375 4.371 -0.620 319 H SER 41 H SER 41 6.910 4.017 2.804 320 HA SER 41 HA SER 41 8.351 1.939 1.714 321 HB2 SER 41 2HB SER 41 7.617 2.529 4.616 322 HB3 SER 41 3HB SER 41 8.977 1.530 4.061 323 HG SER 41 HG SER 41 9.935 3.419 4.195 324 H ILE 42 H ILE 42 7.853 -0.135 1.321 325 HA ILE 42 HA ILE 42 5.393 -1.382 2.007 326 HB ILE 42 HB ILE 42 6.359 -3.414 1.237 327 HG12 ILE 42 2HG1 ILE 42 8.977 -3.142 0.570 328 HG13 ILE 42 3HG1 ILE 42 8.980 -2.160 2.028 329 HG21 ILE 42 1HG2 ILE 42 6.919 -2.725 -0.949 330 HG22 ILE 42 2HG2 ILE 42 5.964 -1.372 -0.297 331 HG23 ILE 42 3HG2 ILE 42 7.710 -1.239 -0.392 332 HD11 ILE 42 3HD1 ILE 42 8.045 -4.152 3.278 333 HD12 ILE 42 1HD1 ILE 42 8.076 -5.068 1.755 334 HD13 ILE 42 2HD1 ILE 42 9.589 -4.502 2.487 335 H ASP 43 H ASP 43 8.077 -0.594 3.975 336 HA ASP 43 HA ASP 43 7.851 -2.698 5.884 337 HB2 ASP 43 2HB ASP 43 8.824 0.175 6.212 338 HB3 ASP 43 3HB ASP 43 9.226 -1.195 7.251 339 H VAL 44 H VAL 44 6.078 0.498 5.505 340 HA VAL 44 HA VAL 44 4.621 0.196 7.962 341 HB VAL 44 HB VAL 44 4.633 1.988 5.517 342 HG11 VAL 44 1HG1 VAL 44 2.370 1.716 5.607 343 HG12 VAL 44 2HG1 VAL 44 2.328 1.477 7.378 344 HG13 VAL 44 3HG1 VAL 44 2.600 3.079 6.710 345 HG21 VAL 44 3HG2 VAL 44 6.077 2.522 7.467 346 HG22 VAL 44 1HG2 VAL 44 4.816 3.745 7.198 347 HG23 VAL 44 2HG2 VAL 44 4.630 2.561 8.505 348 H ILE 45 H ILE 45 4.102 -0.388 4.464 349 HA ILE 45 HA ILE 45 1.350 -1.059 4.765 350 HB ILE 45 HB ILE 45 3.204 -2.128 2.660 351 HG12 ILE 45 2HG1 ILE 45 1.737 0.567 2.472 352 HG13 ILE 45 3HG1 ILE 45 3.418 0.458 2.938 353 HG21 ILE 45 1HG2 ILE 45 1.195 -2.063 1.192 354 HG22 ILE 45 2HG2 ILE 45 0.819 -2.954 2.669 355 HG23 ILE 45 3HG2 ILE 45 0.261 -1.287 2.485 356 HD11 ILE 45 3HD1 ILE 45 3.857 -0.791 0.752 357 HD12 ILE 45 1HD1 ILE 45 2.248 -0.224 0.253 358 HD13 ILE 45 2HD1 ILE 45 3.530 0.926 0.658 359 H ALA 46 H ALA 46 4.260 -3.004 4.990 360 HA ALA 46 HA ALA 46 2.916 -5.526 5.310 361 HB1 ALA 46 1HB ALA 46 5.677 -4.544 6.243 362 HB2 ALA 46 2HB ALA 46 5.133 -6.235 6.273 363 HB3 ALA 46 3HB ALA 46 5.339 -5.391 4.723 364 H SER 47 H SER 47 3.969 -2.898 7.417 365 HA SER 47 HA SER 47 3.206 -4.323 9.865 366 HB2 SER 47 2HB SER 47 5.243 -2.872 9.608 367 HB3 SER 47 3HB SER 47 4.175 -1.463 9.479 368 HG SER 47 HG SER 47 4.110 -3.251 11.683 369 H PHE 48 H PHE 48 1.276 -2.919 7.583 370 HA PHE 48 HA PHE 48 -0.131 -0.989 8.964 371 HB2 PHE 48 2HB PHE 48 -0.199 -2.156 6.436 372 HB3 PHE 48 3HB PHE 48 -1.795 -2.516 7.035 373 HD1 PHE 48 2HD PHE 48 -2.011 0.200 8.711 374 HD2 PHE 48 1HD PHE 48 -0.897 -0.824 4.665 375 HE1 PHE 48 2HE PHE 48 -2.638 2.478 7.947 376 HE2 PHE 48 1HE PHE 48 -1.538 1.450 3.916 377 HZ PHE 48 HZ PHE 48 -2.395 3.075 5.575 378 H ASN 49 H ASN 49 -0.061 -3.854 10.317 379 HA ASN 49 HA ASN 49 -1.239 -5.290 11.445 380 HB2 ASN 49 2HB ASN 49 -1.997 -3.095 12.584 381 HB3 ASN 49 3HB ASN 49 -3.553 -3.369 11.785 382 HD21 ASN 49 1HD2 ASN 49 -4.884 -4.172 13.527 383 HD22 ASN 49 2HD2 ASN 49 -4.346 -5.514 14.525 384 H ARG 50 H ARG 50 -3.958 -3.698 9.718 385 HA ARG 50 HA ARG 50 -5.391 -6.037 9.193 386 HB2 ARG 50 2HB ARG 50 -6.111 -3.594 8.953 387 HB3 ARG 50 3HB ARG 50 -5.272 -3.572 7.391 388 HG2 ARG 50 2HG ARG 50 -6.754 -5.448 6.614 389 HG3 ARG 50 3HG ARG 50 -7.562 -5.416 8.196 390 HD2 ARG 50 2HD ARG 50 -7.965 -2.881 7.684 391 HD3 ARG 50 3HD ARG 50 -7.538 -3.295 6.030 392 HE ARG 50 HE ARG 50 -9.419 -4.638 5.794 393 HH11 ARG 50 2HH2 ARG 50 -9.308 -3.268 9.041 394 HH12 ARG 50 1HH2 ARG 50 -10.952 -3.635 9.430 395 HH21 ARG 50 2HH1 ARG 50 -11.606 -5.103 6.250 396 HH22 ARG 50 1HH1 ARG 50 -12.303 -4.707 7.781 397 H MET 51 H MET 51 -2.913 -4.503 7.099 398 HA MET 51 HA MET 51 -3.153 -6.447 4.984 399 HB2 MET 51 2HB MET 51 -0.983 -4.499 5.801 400 HB3 MET 51 3HB MET 51 -0.697 -5.715 4.553 401 HG2 MET 51 2HG MET 51 -1.314 -3.782 3.417 402 HG3 MET 51 3HG MET 51 -2.692 -4.877 3.298 403 HE1 MET 51 3HE MET 51 -3.909 -2.299 2.435 404 HE2 MET 51 1HE MET 51 -3.414 -0.876 3.391 405 HE3 MET 51 2HE MET 51 -2.187 -1.915 2.667 406 H LYS 52 H LYS 52 -1.046 -6.265 7.971 407 HA LYS 52 HA LYS 52 0.531 -8.490 7.250 408 HB2 LYS 52 2HB LYS 52 0.784 -6.768 9.233 409 HB3 LYS 52 3HB LYS 52 -0.274 -7.888 10.103 410 HG2 LYS 52 2HG LYS 52 1.386 -9.742 9.244 411 HG3 LYS 52 3HG LYS 52 2.481 -8.388 8.914 412 HD2 LYS 52 2HD LYS 52 2.230 -7.661 11.281 413 HD3 LYS 52 3HD LYS 52 1.187 -9.056 11.594 414 HE2 LYS 52 2HE LYS 52 4.092 -9.169 10.654 415 HE3 LYS 52 3HE LYS 52 3.541 -9.468 12.309 416 HZ1 LYS 52 3HZ LYS 52 2.293 -11.365 11.485 417 HZ2 LYS 52 1HZ LYS 52 2.812 -11.094 9.948 418 HZ3 LYS 52 2HZ LYS 52 3.887 -11.519 11.111 419 H THR 53 H THR 53 -2.687 -8.240 8.825 420 HA THR 53 HA THR 53 -2.768 -11.060 9.432 421 HB THR 53 HB THR 53 -5.208 -10.408 9.963 422 HG1 THR 53 1HG THR 53 -5.215 -8.478 8.611 423 HG21 THR 53 1HG2 THR 53 -4.449 -9.152 11.963 424 HG22 THR 53 2HG2 THR 53 -3.328 -10.487 11.603 425 HG23 THR 53 3HG2 THR 53 -2.895 -8.818 11.170 426 H ILE 54 H ILE 54 -4.221 -9.003 6.851 427 HA ILE 54 HA ILE 54 -5.804 -11.166 5.781 428 HB ILE 54 HB ILE 54 -4.940 -8.446 4.742 429 HG12 ILE 54 2HG1 ILE 54 -6.569 -8.614 6.693 430 HG13 ILE 54 3HG1 ILE 54 -7.024 -7.617 5.310 431 HG21 ILE 54 1HG2 ILE 54 -6.771 -10.415 3.354 432 HG22 ILE 54 2HG2 ILE 54 -6.692 -8.674 2.977 433 HG23 ILE 54 3HG2 ILE 54 -5.277 -9.699 2.734 434 HD11 ILE 54 3HD1 ILE 54 -8.864 -9.061 6.188 435 HD12 ILE 54 1HD1 ILE 54 -8.496 -9.321 4.472 436 HD13 ILE 54 2HD1 ILE 54 -7.922 -10.488 5.690 437 H SER 55 H SER 55 -2.566 -9.998 5.302 438 HA SER 55 HA SER 55 -2.103 -11.677 2.923 439 HB2 SER 55 2HB SER 55 -1.188 -9.268 3.370 440 HB3 SER 55 3HB SER 55 -0.078 -10.032 4.513 441 HG SER 55 HG SER 55 1.091 -10.504 2.843 442 H THR 56 H THR 56 -1.323 -11.539 6.339 443 HA THR 56 HA THR 56 -0.309 -12.890 7.748 444 HB THR 56 HB THR 56 -1.022 -14.947 5.652 445 HG1 THR 56 1HG THR 56 -2.629 -13.638 6.893 446 HG21 THR 56 1HG2 THR 56 -0.895 -16.596 7.539 447 HG22 THR 56 2HG2 THR 56 0.707 -15.970 7.104 448 HG23 THR 56 3HG2 THR 56 -0.130 -15.353 8.551 449 H ASP 57 H ASP 57 1.257 -12.462 4.586 450 HA ASP 57 HA ASP 57 3.845 -13.065 5.803 451 HB2 ASP 57 2HB ASP 57 2.972 -15.066 4.585 452 HB3 ASP 57 3HB ASP 57 2.757 -14.071 3.138 453 H LEU 58 H LEU 58 5.386 -11.788 4.950 454 HA LEU 58 HA LEU 58 4.616 -9.211 3.784 455 HB2 LEU 58 2HB LEU 58 7.384 -10.343 4.411 456 HB3 LEU 58 3HB LEU 58 7.046 -8.726 3.805 457 HG LEU 58 HG LEU 58 5.483 -8.517 5.914 458 HD11 LEU 58 1HD1 LEU 58 6.494 -9.682 7.896 459 HD12 LEU 58 2HD1 LEU 58 5.670 -10.793 6.802 460 HD13 LEU 58 3HD1 LEU 58 7.446 -10.687 6.786 461 HD21 LEU 58 3HD2 LEU 58 7.406 -7.592 7.172 462 HD22 LEU 58 1HD2 LEU 58 8.528 -8.450 6.091 463 HD23 LEU 58 2HD2 LEU 58 7.491 -7.152 5.461 464 H GLN 59 H GLN 59 5.656 -12.260 2.613 465 HA GLN 59 HA GLN 59 6.809 -11.496 0.103 466 HB2 GLN 59 2HB GLN 59 6.983 -13.744 1.179 467 HB3 GLN 59 3HB GLN 59 5.251 -13.988 0.908 468 HG2 GLN 59 2HG GLN 59 5.586 -13.808 -1.545 469 HG3 GLN 59 3HG GLN 59 7.318 -13.551 -1.292 470 HE21 GLN 59 1HE2 GLN 59 8.324 -15.417 0.252 471 HE22 GLN 59 2HE2 GLN 59 7.813 -17.026 -0.239 472 H LEU 60 H LEU 60 3.515 -12.634 1.030 473 HA LEU 60 HA LEU 60 2.340 -11.998 -1.504 474 HB2 LEU 60 2HB LEU 60 1.493 -13.020 1.150 475 HB3 LEU 60 3HB LEU 60 0.309 -11.964 0.432 476 HG LEU 60 HG LEU 60 -0.012 -14.362 -0.075 477 HD11 LEU 60 1HD1 LEU 60 -0.498 -14.045 -2.510 478 HD12 LEU 60 2HD1 LEU 60 -1.070 -12.713 -1.483 479 HD13 LEU 60 3HD1 LEU 60 0.393 -12.523 -2.463 480 HD21 LEU 60 3HD2 LEU 60 2.401 -14.967 -0.363 481 HD22 LEU 60 1HD2 LEU 60 1.373 -15.518 -1.704 482 HD23 LEU 60 2HD2 LEU 60 2.399 -14.107 -1.915 483 H ILE 61 H ILE 61 2.940 -10.035 1.389 484 HA ILE 61 HA ILE 61 1.119 -7.986 0.473 485 HB ILE 61 HB ILE 61 2.486 -8.448 2.823 486 HG12 ILE 61 2HG1 ILE 61 0.321 -7.441 2.668 487 HG13 ILE 61 3HG1 ILE 61 1.375 -6.416 3.634 488 HG21 ILE 61 1HG2 ILE 61 3.674 -5.865 1.731 489 HG22 ILE 61 2HG2 ILE 61 3.748 -6.455 3.396 490 HG23 ILE 61 3HG2 ILE 61 4.562 -7.344 2.120 491 HD11 ILE 61 3HD1 ILE 61 1.679 -4.881 1.700 492 HD12 ILE 61 1HD1 ILE 61 0.619 -5.906 0.712 493 HD13 ILE 61 2HD1 ILE 61 -0.031 -5.081 2.123 494 H THR 62 H THR 62 4.524 -8.731 -0.045 495 HA THR 62 HA THR 62 5.083 -6.163 -1.356 496 HB THR 62 HB THR 62 6.667 -8.765 -1.290 497 HG1 THR 62 1HG THR 62 6.531 -7.825 0.703 498 HG21 THR 62 1HG2 THR 62 8.594 -7.330 -1.939 499 HG22 THR 62 2HG2 THR 62 7.377 -7.396 -3.226 500 HG23 THR 62 3HG2 THR 62 7.490 -5.959 -2.179 501 H GLU 63 H GLU 63 4.216 -9.441 -2.378 502 HA GLU 63 HA GLU 63 4.388 -8.963 -5.190 503 HB2 GLU 63 2HB GLU 63 4.264 -11.231 -4.090 504 HB3 GLU 63 3HB GLU 63 2.597 -10.866 -3.607 505 HG2 GLU 63 2HG GLU 63 2.099 -10.490 -6.100 506 HG3 GLU 63 3HG GLU 63 3.708 -11.138 -6.428 507 H ALA 64 H ALA 64 1.772 -8.538 -2.785 508 HA ALA 64 HA ALA 64 -0.260 -7.937 -4.672 509 HB1 ALA 64 1HB ALA 64 0.133 -6.755 -1.891 510 HB2 ALA 64 2HB ALA 64 -1.376 -6.713 -2.832 511 HB3 ALA 64 3HB ALA 64 -0.717 -8.273 -2.273 512 H LEU 65 H LEU 65 2.192 -5.833 -3.120 513 HA LEU 65 HA LEU 65 1.294 -3.416 -4.370 514 HB2 LEU 65 2HB LEU 65 3.915 -4.319 -3.163 515 HB3 LEU 65 3HB LEU 65 3.713 -2.717 -3.866 516 HG LEU 65 HG LEU 65 1.757 -3.750 -1.784 517 HD11 LEU 65 1HD1 LEU 65 3.086 -2.691 -0.077 518 HD12 LEU 65 2HD1 LEU 65 4.121 -3.844 -0.918 519 HD13 LEU 65 3HD1 LEU 65 4.254 -2.108 -1.298 520 HD21 LEU 65 3HD2 LEU 65 2.650 -0.930 -2.563 521 HD22 LEU 65 1HD2 LEU 65 1.167 -1.692 -3.164 522 HD23 LEU 65 2HD2 LEU 65 1.338 -1.362 -1.442 523 H LYS 66 H LYS 66 3.610 -5.949 -5.320 524 HA LYS 66 HA LYS 66 4.505 -4.613 -7.710 525 HB2 LYS 66 2HB LYS 66 5.689 -6.474 -6.519 526 HB3 LYS 66 3HB LYS 66 4.534 -7.611 -7.229 527 HG2 LYS 66 2HG LYS 66 5.902 -5.635 -9.058 528 HG3 LYS 66 3HG LYS 66 6.896 -6.919 -8.392 529 HD2 LYS 66 2HD LYS 66 5.847 -8.595 -9.540 530 HD3 LYS 66 3HD LYS 66 4.288 -7.775 -9.630 531 HE2 LYS 66 2HE LYS 66 6.730 -6.715 -11.099 532 HE3 LYS 66 3HE LYS 66 5.704 -7.975 -11.805 533 HZ1 LYS 66 3HZ LYS 66 5.032 -5.731 -12.485 534 HZ2 LYS 66 1HZ LYS 66 3.831 -6.489 -11.635 535 HZ3 LYS 66 2HZ LYS 66 4.695 -5.348 -10.909 536 H LYS 67 H LYS 67 1.645 -6.464 -7.028 537 HA LYS 67 HA LYS 67 0.960 -6.539 -9.921 538 HB2 LYS 67 2HB LYS 67 1.146 -8.580 -8.282 539 HB3 LYS 67 3HB LYS 67 -0.387 -8.004 -7.636 540 HG2 LYS 67 2HG LYS 67 -1.363 -8.240 -9.955 541 HG3 LYS 67 3HG LYS 67 0.197 -8.875 -10.505 542 HD2 LYS 67 2HD LYS 67 -0.156 -10.928 -9.512 543 HD3 LYS 67 3HD LYS 67 -0.792 -10.198 -8.045 544 HE2 LYS 67 2HE LYS 67 -2.734 -11.100 -8.663 545 HE3 LYS 67 3HE LYS 67 -2.883 -9.641 -9.652 546 HZ1 LYS 67 3HZ LYS 67 -1.976 -12.323 -10.480 547 HZ2 LYS 67 1HZ LYS 67 -3.342 -11.696 -10.858 548 HZ3 LYS 67 2HZ LYS 67 -1.970 -11.008 -11.515 549 H SER 68 H SER 68 0.684 -4.071 -8.062 550 HA SER 68 HA SER 68 -1.895 -3.912 -7.067 551 HB2 SER 68 2HB SER 68 0.142 -1.826 -7.893 552 HB3 SER 68 3HB SER 68 -1.430 -1.377 -7.190 553 HG SER 68 HG SER 68 0.371 -3.194 -6.037 554 H THR 69 H THR 69 -3.508 -2.237 -7.592 555 HA THR 69 HA THR 69 -4.282 -2.499 -10.442 556 HB THR 69 HB THR 69 -5.505 -4.052 -9.268 557 HG1 THR 69 1HG THR 69 -6.934 -3.072 -10.455 558 HG21 THR 69 1HG2 THR 69 -6.789 -3.673 -7.190 559 HG22 THR 69 2HG2 THR 69 -5.063 -3.514 -6.917 560 HG23 THR 69 3HG2 THR 69 -6.074 -2.076 -7.025 561 H ARG 70 H ARG 70 -5.405 -0.413 -7.624 562 HA ARG 70 HA ARG 70 -5.516 1.840 -9.502 563 HB2 ARG 70 2HB ARG 70 -6.584 1.184 -6.877 564 HB3 ARG 70 3HB ARG 70 -5.795 2.737 -6.803 565 HG2 ARG 70 2HG ARG 70 -8.109 3.045 -7.262 566 HG3 ARG 70 3HG ARG 70 -7.208 3.541 -8.694 567 HD2 ARG 70 2HD ARG 70 -8.342 0.751 -8.412 568 HD3 ARG 70 3HD ARG 70 -9.357 2.101 -8.944 569 HE ARG 70 HE ARG 70 -7.297 2.313 -10.651 570 HH11 ARG 70 2HH2 ARG 70 -9.114 -0.533 -9.651 571 HH12 ARG 70 1HH2 ARG 70 -9.384 -1.143 -11.243 572 HH21 ARG 70 2HH1 ARG 70 -7.368 1.386 -12.767 573 HH22 ARG 70 1HH1 ARG 70 -8.264 -0.058 -13.064 574 H LEU 71 H LEU 71 -2.946 0.461 -7.648 575 HA LEU 71 HA LEU 71 -1.565 3.070 -7.669 576 HB2 LEU 71 2HB LEU 71 -0.600 1.054 -5.727 577 HB3 LEU 71 3HB LEU 71 -0.752 2.781 -5.605 578 HG LEU 71 HG LEU 71 -3.080 0.868 -5.234 579 HD11 LEU 71 1HD1 LEU 71 -1.349 2.319 -3.176 580 HD12 LEU 71 2HD1 LEU 71 -2.741 1.270 -2.841 581 HD13 LEU 71 3HD1 LEU 71 -1.257 0.592 -3.548 582 HD21 LEU 71 3HD2 LEU 71 -4.231 2.771 -4.273 583 HD22 LEU 71 1HD2 LEU 71 -2.757 3.755 -4.344 584 HD23 LEU 71 2HD2 LEU 71 -3.609 3.329 -5.834 585 H GLN 72 H GLN 72 0.896 2.597 -7.697 586 HA GLN 72 HA GLN 72 1.565 0.151 -9.226 587 HB2 GLN 72 2HB GLN 72 1.039 2.337 -10.656 588 HB3 GLN 72 3HB GLN 72 2.603 2.879 -10.057 589 HG2 GLN 72 2HG GLN 72 3.175 1.839 -12.071 590 HG3 GLN 72 3HG GLN 72 3.471 0.541 -10.909 591 HE21 GLN 72 1HE2 GLN 72 1.059 1.846 -13.273 592 HE22 GLN 72 2HE2 GLN 72 0.284 0.290 -13.519 593 H VAL 73 H VAL 73 3.313 -0.739 -8.140 594 HA VAL 73 HA VAL 73 4.846 0.949 -6.291 595 HB VAL 73 HB VAL 73 3.908 -1.353 -5.724 596 HG11 VAL 73 1HG1 VAL 73 6.355 -2.292 -7.280 597 HG12 VAL 73 2HG1 VAL 73 5.290 -3.271 -6.282 598 HG13 VAL 73 3HG1 VAL 73 4.667 -2.507 -7.782 599 HG21 VAL 73 3HG2 VAL 73 5.917 -2.017 -4.399 600 HG22 VAL 73 1HG2 VAL 73 6.853 -0.778 -5.257 601 HG23 VAL 73 2HG2 VAL 73 5.485 -0.321 -4.216 602 H SER 74 H SER 74 7.061 1.215 -6.503 603 HA SER 74 HA SER 74 8.139 1.241 -9.203 604 HB2 SER 74 2HB SER 74 8.708 2.839 -7.215 605 HB3 SER 74 3HB SER 74 9.768 1.509 -6.678 606 HG SER 74 HG SER 74 11.011 2.737 -8.002 607 H GLU 75 H GLU 75 10.231 0.200 -9.694 608 HA GLU 75 HA GLU 75 10.037 -2.647 -9.357 609 HB2 GLU 75 2HB GLU 75 12.119 -0.762 -10.503 610 HB3 GLU 75 3HB GLU 75 12.311 -2.525 -10.542 611 HG2 GLU 75 2HG GLU 75 10.527 -2.856 -12.004 612 HG3 GLU 75 3HG GLU 75 9.696 -1.381 -11.526 613 H ASP 76 H ASP 76 11.373 -0.164 -7.305 614 HA ASP 76 HA ASP 76 13.372 -1.844 -6.022 615 HB2 ASP 76 2HB ASP 76 11.874 0.652 -5.128 616 HB3 ASP 76 3HB ASP 76 13.150 -0.128 -4.188 617 H GLY 77 H GLY 77 9.861 -1.495 -5.902 618 HA2 GLY 77 2HA GLY 77 8.269 -2.338 -4.424 619 HA3 GLY 77 3HA GLY 77 9.450 -3.596 -4.015 620 H LYS 78 H LYS 78 10.030 -0.153 -3.633 621 HA LYS 78 HA LYS 78 9.687 -0.288 -0.652 622 HB2 LYS 78 2HB LYS 78 11.936 0.843 -2.346 623 HB3 LYS 78 3HB LYS 78 11.681 1.357 -0.681 624 HG2 LYS 78 2HG LYS 78 11.759 -1.612 -1.171 625 HG3 LYS 78 3HG LYS 78 13.278 -0.741 -1.331 626 HD2 LYS 78 2HD LYS 78 13.374 -0.166 0.898 627 HD3 LYS 78 3HD LYS 78 11.610 -0.127 1.094 628 HE2 LYS 78 2HE LYS 78 11.521 -2.591 0.966 629 HE3 LYS 78 3HE LYS 78 13.283 -2.651 0.823 630 HZ1 LYS 78 3HZ LYS 78 11.781 -1.553 3.168 631 HZ2 LYS 78 1HZ LYS 78 12.527 -3.002 3.112 632 HZ3 LYS 78 2HZ LYS 78 13.421 -1.633 3.020 633 H MET 79 H MET 79 8.563 1.192 -3.543 634 HA MET 79 HA MET 79 7.089 2.973 -1.799 635 HB2 MET 79 2HB MET 79 7.509 4.937 -3.236 636 HB3 MET 79 3HB MET 79 8.992 4.451 -2.408 637 HG2 MET 79 2HG MET 79 8.261 3.726 -5.272 638 HG3 MET 79 3HG MET 79 9.195 5.144 -4.845 639 HE1 MET 79 3HE MET 79 12.691 3.945 -4.078 640 HE2 MET 79 1HE MET 79 11.665 5.258 -4.692 641 HE3 MET 79 2HE MET 79 11.449 4.669 -3.024 642 H VAL 80 H VAL 80 5.146 3.837 -2.852 643 HA VAL 80 HA VAL 80 4.515 2.719 -5.464 644 HB VAL 80 HB VAL 80 3.626 0.952 -4.165 645 HG11 VAL 80 1HG1 VAL 80 2.597 3.006 -2.197 646 HG12 VAL 80 2HG1 VAL 80 2.190 1.293 -2.138 647 HG13 VAL 80 3HG1 VAL 80 3.871 1.777 -1.911 648 HG21 VAL 80 3HG2 VAL 80 1.889 1.883 -5.687 649 HG22 VAL 80 1HG2 VAL 80 1.232 1.075 -4.264 650 HG23 VAL 80 2HG2 VAL 80 1.259 2.846 -4.327 651 H ARG 81 H ARG 81 2.752 3.809 -6.447 652 HA ARG 81 HA ARG 81 2.073 6.417 -5.169 653 HB2 ARG 81 2HB ARG 81 2.178 7.498 -7.399 654 HB3 ARG 81 3HB ARG 81 3.756 7.039 -6.778 655 HG2 ARG 81 2HG ARG 81 2.355 5.136 -8.673 656 HG3 ARG 81 3HG ARG 81 3.059 6.625 -9.303 657 HD2 ARG 81 2HD ARG 81 5.242 6.049 -8.282 658 HD3 ARG 81 3HD ARG 81 4.572 4.505 -7.728 659 HE ARG 81 HE ARG 81 4.081 4.724 -10.490 660 HH11 ARG 81 2HH2 ARG 81 6.824 4.369 -8.313 661 HH12 ARG 81 1HH2 ARG 81 7.884 3.634 -9.468 662 HH21 ARG 81 2HH1 ARG 81 5.463 3.723 -12.084 663 HH22 ARG 81 1HH1 ARG 81 7.051 3.210 -11.653 664 H ARG 82 H ARG 82 -0.028 7.157 -5.661 665 HA ARG 82 HA ARG 82 -1.948 5.091 -6.448 666 HB2 ARG 82 2HB ARG 82 -2.210 8.083 -5.900 667 HB3 ARG 82 3HB ARG 82 -3.591 7.011 -6.173 668 HG2 ARG 82 2HG ARG 82 -3.264 5.830 -4.155 669 HG3 ARG 82 3HG ARG 82 -1.581 6.342 -4.006 670 HD2 ARG 82 2HD ARG 82 -2.528 7.614 -2.420 671 HD3 ARG 82 3HD ARG 82 -2.551 8.740 -3.780 672 HE ARG 82 HE ARG 82 -4.991 7.142 -3.454 673 HH11 ARG 82 2HH2 ARG 82 -3.285 9.998 -2.322 674 HH12 ARG 82 1HH2 ARG 82 -4.684 10.954 -2.015 675 HH21 ARG 82 2HH1 ARG 82 -6.854 8.161 -2.562 676 HH22 ARG 82 1HH1 ARG 82 -6.822 9.845 -2.147 677 H LEU 83 H LEU 83 -3.690 5.972 -8.153 678 HA LEU 83 HA LEU 83 -2.244 6.563 -10.628 679 HB2 LEU 83 2HB LEU 83 -4.236 6.011 -11.757 680 HB3 LEU 83 3HB LEU 83 -4.095 4.831 -10.468 681 HG LEU 83 HG LEU 83 -5.937 7.261 -10.544 682 HD11 LEU 83 1HD1 LEU 83 -6.616 5.481 -12.039 683 HD12 LEU 83 2HD1 LEU 83 -6.446 4.281 -10.743 684 HD13 LEU 83 3HD1 LEU 83 -7.714 5.531 -10.650 685 HD21 LEU 83 3HD2 LEU 83 -7.027 6.230 -8.519 686 HD22 LEU 83 1HD2 LEU 83 -5.606 5.173 -8.347 687 HD23 LEU 83 2HD2 LEU 83 -5.465 6.954 -8.210 688 H ASP 84 H ASP 84 -3.261 8.268 -12.098 689 HA ASP 84 HA ASP 84 -3.080 10.798 -10.904 690 HB2 ASP 84 2HB ASP 84 -3.924 9.769 -13.604 691 HB3 ASP 84 3HB ASP 84 -4.247 11.461 -13.201 692 HA PRO 85 HA PRO 85 -7.728 11.505 -11.080 693 HB2 PRO 85 2HB PRO 85 -9.522 9.478 -11.595 694 HB3 PRO 85 3HB PRO 85 -8.785 10.499 -12.872 695 HG2 PRO 85 2HG PRO 85 -7.885 7.765 -11.925 696 HG3 PRO 85 3HG PRO 85 -8.142 8.318 -13.611 697 HD2 PRO 85 2HD PRO 85 -5.664 8.299 -12.527 698 HD3 PRO 85 3HD PRO 85 -6.188 9.658 -13.566 699 H LEU 86 H LEU 86 -8.995 11.523 -9.225 700 HA LEU 86 HA LEU 86 -7.967 10.077 -6.971 701 HB2 LEU 86 2HB LEU 86 -10.208 12.026 -7.488 702 HB3 LEU 86 3HB LEU 86 -10.283 11.073 -6.012 703 HG LEU 86 HG LEU 86 -8.180 11.884 -5.215 704 HD11 LEU 86 1HD1 LEU 86 -6.829 12.007 -7.258 705 HD12 LEU 86 2HD1 LEU 86 -7.852 13.315 -7.890 706 HD13 LEU 86 3HD1 LEU 86 -6.833 13.577 -6.459 707 HD21 LEU 86 3HD2 LEU 86 -9.745 14.206 -6.423 708 HD22 LEU 86 1HD2 LEU 86 -10.174 13.345 -4.929 709 HD23 LEU 86 2HD2 LEU 86 -8.669 14.282 -5.011 710 HA PRO 87 HA PRO 87 -10.293 6.404 -7.194 711 HB2 PRO 87 2HB PRO 87 -10.518 5.667 -4.587 712 HB3 PRO 87 3HB PRO 87 -8.932 5.688 -5.425 713 HG2 PRO 87 2HG PRO 87 -10.122 7.767 -3.565 714 HG3 PRO 87 3HG PRO 87 -8.459 7.130 -3.596 715 HD2 PRO 87 2HD PRO 87 -9.102 9.493 -4.798 716 HD3 PRO 87 3HD PRO 87 -7.835 8.402 -5.442 717 H GLU 88 H GLU 88 -12.420 5.506 -6.877 718 HA GLU 88 HA GLU 88 -14.380 7.202 -5.451 719 HB2 GLU 88 2HB GLU 88 -14.132 7.900 -7.875 720 HB3 GLU 88 3HB GLU 88 -14.750 6.313 -8.340 721 HG2 GLU 88 2HG GLU 88 -16.817 6.777 -6.971 722 HG3 GLU 88 3HG GLU 88 -16.161 8.367 -6.569 723 H ASN 89 H ASN 89 -14.189 5.415 -3.953 724 HA ASN 89 HA ASN 89 -14.777 3.429 -3.007 725 HB2 ASN 89 2HB ASN 89 -17.120 3.542 -4.938 726 HB3 ASN 89 3HB ASN 89 -17.045 2.668 -3.416 727 HD21 ASN 89 1HD2 ASN 89 -17.537 5.834 -4.905 728 HD22 ASN 89 2HD2 ASN 89 -17.967 6.640 -3.399 729 H ILE 90 H ILE 90 -12.769 2.740 -4.660 730 HA ILE 90 HA ILE 90 -13.857 0.535 -6.309 731 HB ILE 90 HB ILE 90 -11.135 1.883 -6.140 732 HG12 ILE 90 2HG1 ILE 90 -12.867 3.190 -7.352 733 HG13 ILE 90 3HG1 ILE 90 -11.531 2.694 -8.375 734 HG21 ILE 90 1HG2 ILE 90 -10.617 0.410 -8.185 735 HG22 ILE 90 2HG2 ILE 90 -10.654 -0.405 -6.620 736 HG23 ILE 90 3HG2 ILE 90 -12.028 -0.562 -7.723 737 HD11 ILE 90 3HD1 ILE 90 -13.654 2.448 -9.556 738 HD12 ILE 90 1HD1 ILE 90 -12.913 0.859 -9.327 739 HD13 ILE 90 2HD1 ILE 90 -14.277 1.369 -8.299 740 H ASP 91 H ASP 91 -13.437 -1.639 -5.726 741 HA ASP 91 HA ASP 91 -11.534 -2.400 -3.764 742 HB2 ASP 91 2HB ASP 91 -13.945 -1.435 -2.672 743 HB3 ASP 91 3HB ASP 91 -14.215 -3.163 -2.750 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -2.852 -16.262 0.362 2 H2 MET 1 H2 MET 1 -1.379 -15.993 1.055 3 H3 MET 1 H3 MET 1 -1.690 -15.460 -0.477 4 HA MET 1 HA MET 1 -0.294 -17.424 -0.459 5 HB2 MET 1 2HB MET 1 -2.781 -18.575 0.845 6 HB3 MET 1 3HB MET 1 -1.605 -19.588 -0.015 7 HG2 MET 1 2HG MET 1 -0.811 -17.698 2.233 8 HG3 MET 1 3HG MET 1 -1.272 -19.380 2.492 9 HE1 MET 1 1HE MET 1 0.153 -21.325 2.340 10 HE2 MET 1 2HE MET 1 1.918 -21.131 2.415 11 HE3 MET 1 3HE MET 1 0.880 -20.276 3.578 12 H SER 2 H SER 2 -3.781 -18.221 -1.150 13 HA SER 2 HA SER 2 -3.134 -18.679 -3.935 14 HB2 SER 2 2HB SER 2 -4.881 -19.940 -2.727 15 HB3 SER 2 3HB SER 2 -5.771 -18.441 -2.411 16 HG SER 2 HG SER 2 -6.709 -19.459 -4.117 17 H GLU 3 H GLU 3 -4.626 -17.556 -5.578 18 HA GLU 3 HA GLU 3 -4.136 -14.707 -5.645 19 HB2 GLU 3 2HB GLU 3 -5.488 -16.742 -7.375 20 HB3 GLU 3 3HB GLU 3 -6.135 -15.111 -7.505 21 HG2 GLU 3 2HG GLU 3 -3.190 -15.802 -7.799 22 HG3 GLU 3 3HG GLU 3 -4.322 -15.594 -9.141 23 H GLU 4 H GLU 4 -6.717 -16.711 -4.348 24 HA GLU 4 HA GLU 4 -8.696 -14.693 -4.077 25 HB2 GLU 4 2HB GLU 4 -7.867 -16.954 -2.216 26 HB3 GLU 4 3HB GLU 4 -9.353 -16.008 -2.014 27 HG2 GLU 4 2HG GLU 4 -10.325 -16.856 -4.000 28 HG3 GLU 4 3HG GLU 4 -8.775 -17.387 -4.660 29 H THR 5 H THR 5 -5.822 -15.473 -2.029 30 HA THR 5 HA THR 5 -6.345 -13.326 -0.177 31 HB THR 5 HB THR 5 -3.588 -14.410 -0.728 32 HG1 THR 5 1HG THR 5 -5.711 -15.846 0.445 33 HG21 THR 5 1HG2 THR 5 -3.432 -14.304 1.749 34 HG22 THR 5 2HG2 THR 5 -3.912 -12.743 1.061 35 HG23 THR 5 3HG2 THR 5 -5.125 -13.783 1.831 36 H SER 6 H SER 6 -4.145 -13.717 -3.023 37 HA SER 6 HA SER 6 -2.847 -11.253 -2.532 38 HB2 SER 6 2HB SER 6 -2.200 -13.304 -4.060 39 HB3 SER 6 3HB SER 6 -3.029 -12.380 -5.331 40 HG SER 6 HG SER 6 -0.631 -12.058 -4.789 41 H THR 7 H THR 7 -5.661 -12.005 -4.456 42 HA THR 7 HA THR 7 -6.024 -9.329 -5.474 43 HB THR 7 HB THR 7 -7.868 -11.758 -5.400 44 HG1 THR 7 1HG THR 7 -6.031 -11.991 -6.781 45 HG21 THR 7 1HG2 THR 7 -9.249 -9.750 -5.625 46 HG22 THR 7 2HG2 THR 7 -8.159 -9.118 -6.891 47 HG23 THR 7 3HG2 THR 7 -9.134 -10.576 -7.189 48 H GLN 8 H GLN 8 -7.290 -11.136 -2.688 49 HA GLN 8 HA GLN 8 -9.222 -9.153 -1.887 50 HB2 GLN 8 2HB GLN 8 -7.625 -11.307 -0.475 51 HB3 GLN 8 3HB GLN 8 -8.474 -10.117 0.482 52 HG2 GLN 8 2HG GLN 8 -9.858 -11.740 -1.690 53 HG3 GLN 8 3HG GLN 8 -9.732 -12.285 -0.011 54 HE21 GLN 8 1HE2 GLN 8 -12.126 -11.386 -1.785 55 HE22 GLN 8 2HE2 GLN 8 -12.908 -10.213 -0.732 56 H ILE 9 H ILE 9 -5.719 -9.477 -1.470 57 HA ILE 9 HA ILE 9 -5.736 -7.322 0.519 58 HB ILE 9 HB ILE 9 -4.198 -9.457 0.408 59 HG12 ILE 9 2HG1 ILE 9 -3.257 -6.681 1.265 60 HG13 ILE 9 3HG1 ILE 9 -4.269 -7.776 2.213 61 HG21 ILE 9 1HG2 ILE 9 -2.001 -9.155 -0.451 62 HG22 ILE 9 2HG2 ILE 9 -3.099 -8.797 -1.760 63 HG23 ILE 9 3HG2 ILE 9 -2.334 -7.458 -0.882 64 HD11 ILE 9 3HD1 ILE 9 -2.366 -9.455 2.161 65 HD12 ILE 9 1HD1 ILE 9 -1.341 -8.191 1.444 66 HD13 ILE 9 2HD1 ILE 9 -2.026 -7.956 3.052 67 H LEU 10 H LEU 10 -4.988 -7.875 -2.831 68 HA LEU 10 HA LEU 10 -3.797 -5.459 -3.619 69 HB2 LEU 10 2HB LEU 10 -5.007 -7.674 -4.875 70 HB3 LEU 10 3HB LEU 10 -5.991 -6.375 -5.411 71 HG LEU 10 HG LEU 10 -3.622 -5.265 -5.957 72 HD11 LEU 10 1HD1 LEU 10 -3.025 -8.256 -5.972 73 HD12 LEU 10 2HD1 LEU 10 -1.980 -6.965 -6.595 74 HD13 LEU 10 3HD1 LEU 10 -2.348 -7.053 -4.863 75 HD21 LEU 10 3HD2 LEU 10 -5.516 -6.102 -7.554 76 HD22 LEU 10 1HD2 LEU 10 -3.888 -6.169 -8.218 77 HD23 LEU 10 2HD2 LEU 10 -4.655 -7.644 -7.605 78 H LYS 11 H LYS 11 -7.279 -6.199 -3.501 79 HA LYS 11 HA LYS 11 -8.081 -3.458 -4.018 80 HB2 LYS 11 2HB LYS 11 -9.565 -5.893 -2.931 81 HB3 LYS 11 3HB LYS 11 -10.306 -4.295 -2.928 82 HG2 LYS 11 2HG LYS 11 -11.067 -5.403 -4.880 83 HG3 LYS 11 3HG LYS 11 -9.979 -4.107 -5.386 84 HD2 LYS 11 2HD LYS 11 -8.176 -5.730 -5.755 85 HD3 LYS 11 3HD LYS 11 -9.206 -7.047 -5.161 86 HE2 LYS 11 2HE LYS 11 -9.875 -5.317 -7.573 87 HE3 LYS 11 3HE LYS 11 -8.970 -6.832 -7.681 88 HZ1 LYS 11 3HZ LYS 11 -11.295 -7.182 -8.091 89 HZ2 LYS 11 1HZ LYS 11 -10.840 -7.981 -6.729 90 HZ3 LYS 11 2HZ LYS 11 -11.706 -6.582 -6.616 91 H GLN 12 H GLN 12 -7.408 -5.342 -1.078 92 HA GLN 12 HA GLN 12 -8.468 -3.376 0.692 93 HB2 GLN 12 2HB GLN 12 -7.928 -5.910 1.119 94 HB3 GLN 12 3HB GLN 12 -6.315 -5.313 1.506 95 HG2 GLN 12 2HG GLN 12 -7.267 -5.248 3.593 96 HG3 GLN 12 3HG GLN 12 -7.760 -3.635 3.071 97 HE21 GLN 12 1HE2 GLN 12 -10.089 -3.547 2.002 98 HE22 GLN 12 2HE2 GLN 12 -11.235 -4.691 2.668 99 H VAL 13 H VAL 13 -5.407 -3.481 -1.089 100 HA VAL 13 HA VAL 13 -4.015 -1.798 0.897 101 HB VAL 13 HB VAL 13 -3.452 -2.924 -1.855 102 HG11 VAL 13 1HG1 VAL 13 -1.235 -1.774 -1.842 103 HG12 VAL 13 2HG1 VAL 13 -2.579 -0.651 -2.059 104 HG13 VAL 13 3HG1 VAL 13 -1.782 -0.776 -0.473 105 HG21 VAL 13 3HG2 VAL 13 -1.832 -2.965 0.728 106 HG22 VAL 13 1HG2 VAL 13 -2.993 -4.220 0.273 107 HG23 VAL 13 2HG2 VAL 13 -1.557 -3.946 -0.730 108 H GLU 14 H GLU 14 -5.544 -1.498 -2.335 109 HA GLU 14 HA GLU 14 -5.181 1.339 -2.437 110 HB2 GLU 14 2HB GLU 14 -7.192 -0.518 -3.663 111 HB3 GLU 14 3HB GLU 14 -6.963 1.159 -4.217 112 HG2 GLU 14 2HG GLU 14 -5.017 0.738 -5.258 113 HG3 GLU 14 3HG GLU 14 -4.419 -0.386 -4.052 114 H TYR 15 H TYR 15 -7.590 -0.664 -0.797 115 HA TYR 15 HA TYR 15 -9.724 1.148 -0.619 116 HB2 TYR 15 2HB TYR 15 -10.302 -0.933 0.091 117 HB3 TYR 15 3HB TYR 15 -8.722 -1.268 0.761 118 HD1 TYR 15 HD2 TYR 15 -11.993 0.297 1.515 119 HD2 TYR 15 HD1 TYR 15 -8.074 -0.766 2.982 120 HE1 TYR 15 HE2 TYR 15 -12.736 0.735 3.834 121 HE2 TYR 15 HE1 TYR 15 -8.774 -0.315 5.258 122 HH TYR 15 HH TYR 15 -10.539 0.689 6.602 123 H TYR 16 H TYR 16 -6.722 0.852 1.373 124 HA TYR 16 HA TYR 16 -7.446 2.922 3.205 125 HB2 TYR 16 2HB TYR 16 -4.818 1.656 2.384 126 HB3 TYR 16 3HB TYR 16 -4.858 3.092 3.388 127 HD1 TYR 16 HD2 TYR 16 -6.319 3.073 5.506 128 HD2 TYR 16 HD1 TYR 16 -5.059 -0.482 3.420 129 HE1 TYR 16 HE2 TYR 16 -6.509 1.773 7.619 130 HE2 TYR 16 HE1 TYR 16 -5.194 -1.767 5.532 131 HH TYR 16 HH TYR 16 -5.048 -1.248 8.061 132 H PHE 17 H PHE 17 -6.186 3.167 -0.085 133 HA PHE 17 HA PHE 17 -5.852 6.088 0.229 134 HB2 PHE 17 2HB PHE 17 -5.268 4.192 -2.078 135 HB3 PHE 17 3HB PHE 17 -4.998 5.932 -2.125 136 HD1 PHE 17 1HD PHE 17 -3.843 2.736 -0.652 137 HD2 PHE 17 2HD PHE 17 -3.201 7.012 -0.841 138 HE1 PHE 17 1HE PHE 17 -1.676 2.472 0.515 139 HE2 PHE 17 2HE PHE 17 -1.054 6.737 0.320 140 HZ PHE 17 HZ PHE 17 -0.297 4.480 1.032 141 H SER 18 H SER 18 -8.302 3.924 -0.647 142 HA SER 18 HA SER 18 -9.567 5.733 -2.589 143 HB2 SER 18 2HB SER 18 -8.994 3.399 -3.284 144 HB3 SER 18 3HB SER 18 -9.949 2.780 -1.930 145 HG SER 18 HG SER 18 -11.667 4.193 -3.166 146 H ASP 19 H ASP 19 -9.877 4.680 0.620 147 HA ASP 19 HA ASP 19 -12.729 5.326 0.862 148 HB2 ASP 19 2HB ASP 19 -11.586 3.365 1.829 149 HB3 ASP 19 3HB ASP 19 -10.495 4.430 2.721 150 H SER 20 H SER 20 -10.338 7.248 0.225 151 HA SER 20 HA SER 20 -9.382 9.197 0.866 152 HB2 SER 20 2HB SER 20 -12.096 9.712 2.127 153 HB3 SER 20 3HB SER 20 -10.894 10.931 1.644 154 HG SER 20 HG SER 20 -12.251 9.080 -0.024 155 H ASN 21 H ASN 21 -9.190 6.863 2.830 156 HA ASN 21 HA ASN 21 -9.172 8.266 5.384 157 HB2 ASN 21 2HB ASN 21 -9.967 5.880 5.001 158 HB3 ASN 21 3HB ASN 21 -8.259 5.434 4.853 159 HD21 ASN 21 1HD2 ASN 21 -7.983 4.278 6.782 160 HD22 ASN 21 2HD2 ASN 21 -7.939 5.124 8.297 161 H PHE 22 H PHE 22 -6.779 7.595 2.848 162 HA PHE 22 HA PHE 22 -4.478 7.627 4.436 163 HB2 PHE 22 2HB PHE 22 -3.687 7.181 2.418 164 HB3 PHE 22 3HB PHE 22 -5.149 7.763 1.647 165 HD1 PHE 22 2HD PHE 22 -1.998 9.158 3.206 166 HD2 PHE 22 1HD PHE 22 -4.973 9.453 0.099 167 HE1 PHE 22 2HE PHE 22 -0.804 11.092 2.231 168 HE2 PHE 22 1HE PHE 22 -3.812 11.392 -0.833 169 HZ PHE 22 HZ PHE 22 -1.699 12.233 0.214 170 HA PRO 23 HA PRO 23 -4.102 12.279 4.075 171 HB2 PRO 23 2HB PRO 23 -6.411 13.859 4.058 172 HB3 PRO 23 3HB PRO 23 -5.485 13.389 2.591 173 HG2 PRO 23 2HG PRO 23 -7.932 12.050 3.779 174 HG3 PRO 23 3HG PRO 23 -7.637 12.491 2.065 175 HD2 PRO 23 2HD PRO 23 -7.216 9.983 2.908 176 HD3 PRO 23 3HD PRO 23 -6.056 10.752 1.802 177 H ARG 24 H ARG 24 -6.797 10.742 5.681 178 HA ARG 24 HA ARG 24 -6.905 12.471 8.011 179 HB2 ARG 24 2HB ARG 24 -8.774 11.049 6.934 180 HB3 ARG 24 3HB ARG 24 -7.922 9.630 7.537 181 HG2 ARG 24 2HG ARG 24 -8.116 10.888 9.880 182 HG3 ARG 24 3HG ARG 24 -9.451 11.725 9.040 183 HD2 ARG 24 2HD ARG 24 -10.297 9.425 8.339 184 HD3 ARG 24 3HD ARG 24 -9.017 8.720 9.351 185 HE ARG 24 HE ARG 24 -10.646 10.563 10.839 186 HH11 ARG 24 2HH2 ARG 24 -10.519 7.317 9.461 187 HH12 ARG 24 1HH2 ARG 24 -11.627 6.599 10.580 188 HH21 ARG 24 2HH1 ARG 24 -12.152 9.658 12.376 189 HH22 ARG 24 1HH1 ARG 24 -12.585 7.989 12.302 190 H ASP 25 H ASP 25 -5.528 9.293 7.132 191 HA ASP 25 HA ASP 25 -4.766 8.746 9.906 192 HB2 ASP 25 2HB ASP 25 -4.847 7.174 7.341 193 HB3 ASP 25 3HB ASP 25 -3.832 6.619 8.682 194 H LYS 26 H LYS 26 -3.281 10.203 10.316 195 HA LYS 26 HA LYS 26 -1.187 11.104 8.761 196 HB2 LYS 26 2HB LYS 26 -1.058 10.787 11.785 197 HB3 LYS 26 3HB LYS 26 -0.090 11.880 10.789 198 HG2 LYS 26 2HG LYS 26 -1.674 13.454 11.112 199 HG3 LYS 26 3HG LYS 26 -2.710 12.526 10.036 200 HD2 LYS 26 2HD LYS 26 -3.998 12.872 11.997 201 HD3 LYS 26 3HD LYS 26 -3.438 11.195 12.135 202 HE2 LYS 26 2HE LYS 26 -1.488 12.059 13.528 203 HE3 LYS 26 3HE LYS 26 -2.227 13.665 13.463 204 HZ1 LYS 26 3HZ LYS 26 -3.432 11.252 14.665 205 HZ2 LYS 26 1HZ LYS 26 -2.820 12.541 15.479 206 HZ3 LYS 26 2HZ LYS 26 -4.174 12.718 14.562 207 H PHE 27 H PHE 27 -1.384 7.981 10.202 208 HA PHE 27 HA PHE 27 1.352 7.134 10.164 209 HB2 PHE 27 2HB PHE 27 -0.629 5.928 11.128 210 HB3 PHE 27 3HB PHE 27 -1.254 5.667 9.506 211 HD1 PHE 27 1HD PHE 27 1.949 5.222 11.424 212 HD2 PHE 27 2HD PHE 27 -0.792 3.542 8.544 213 HE1 PHE 27 1HE PHE 27 3.319 3.191 11.313 214 HE2 PHE 27 2HE PHE 27 0.578 1.472 8.460 215 HZ PHE 27 HZ PHE 27 2.620 1.287 9.857 216 H LEU 28 H LEU 28 -1.200 6.995 7.628 217 HA LEU 28 HA LEU 28 0.616 6.022 5.567 218 HB2 LEU 28 2HB LEU 28 -2.086 7.425 5.509 219 HB3 LEU 28 3HB LEU 28 -1.169 7.118 4.039 220 HG LEU 28 HG LEU 28 -1.317 4.710 5.724 221 HD11 LEU 28 1HD1 LEU 28 -3.944 5.608 4.480 222 HD12 LEU 28 2HD1 LEU 28 -3.666 4.270 5.589 223 HD13 LEU 28 3HD1 LEU 28 -3.548 5.891 6.197 224 HD21 LEU 28 3HD2 LEU 28 -2.242 5.303 2.879 225 HD22 LEU 28 1HD2 LEU 28 -0.539 5.023 3.321 226 HD23 LEU 28 2HD2 LEU 28 -1.715 3.739 3.500 227 H ARG 29 H ARG 29 -0.783 9.195 6.347 228 HA ARG 29 HA ARG 29 0.495 10.600 4.344 229 HB2 ARG 29 2HB ARG 29 -1.380 11.381 5.983 230 HB3 ARG 29 3HB ARG 29 -0.026 11.923 7.002 231 HG2 ARG 29 2HG ARG 29 0.861 13.053 4.819 232 HG3 ARG 29 3HG ARG 29 -0.758 12.795 4.173 233 HD2 ARG 29 2HD ARG 29 -1.717 14.325 5.694 234 HD3 ARG 29 3HD ARG 29 -0.369 14.153 6.842 235 HE ARG 29 HE ARG 29 0.442 15.191 4.260 236 HH11 ARG 29 2HH2 ARG 29 -0.866 16.178 7.368 237 HH12 ARG 29 1HH2 ARG 29 0.020 17.662 7.469 238 HH21 ARG 29 2HH1 ARG 29 1.667 17.152 4.349 239 HH22 ARG 29 1HH1 ARG 29 1.473 18.241 5.670 240 H SER 30 H SER 30 1.948 9.570 7.427 241 HA SER 30 HA SER 30 4.151 11.434 7.303 242 HB2 SER 30 2HB SER 30 3.783 8.737 8.687 243 HB3 SER 30 3HB SER 30 5.273 9.700 8.805 244 HG SER 30 HG SER 30 2.665 10.484 9.565 245 H GLU 31 H GLU 31 3.573 8.188 5.862 246 HA GLU 31 HA GLU 31 6.306 8.241 4.751 247 HB2 GLU 31 2HB GLU 31 3.973 6.342 4.623 248 HB3 GLU 31 3HB GLU 31 5.141 6.318 3.296 249 HG2 GLU 31 2HG GLU 31 5.885 6.058 6.238 250 HG3 GLU 31 3HG GLU 31 5.749 4.714 5.086 251 H ALA 32 H ALA 32 2.984 8.836 3.541 252 HA ALA 32 HA ALA 32 3.607 9.235 0.845 253 HB1 ALA 32 1HB ALA 32 1.595 10.791 2.520 254 HB2 ALA 32 2HB ALA 32 1.511 10.498 0.782 255 HB3 ALA 32 3HB ALA 32 1.321 9.140 1.892 256 H ALA 33 H ALA 33 3.961 11.421 3.592 257 HA ALA 33 HA ALA 33 4.436 13.851 2.278 258 HB1 ALA 33 1HB ALA 33 3.828 13.743 4.617 259 HB2 ALA 33 2HB ALA 33 5.310 12.845 5.015 260 HB3 ALA 33 3HB ALA 33 5.402 14.540 4.478 261 H LYS 34 H LYS 34 6.571 11.142 2.007 262 HA LYS 34 HA LYS 34 8.968 12.810 1.891 263 HB2 LYS 34 2HB LYS 34 8.221 9.900 1.318 264 HB3 LYS 34 3HB LYS 34 9.691 10.598 0.685 265 HG2 LYS 34 2HG LYS 34 10.459 9.708 2.684 266 HG3 LYS 34 3HG LYS 34 10.172 11.395 3.120 267 HD2 LYS 34 2HD LYS 34 7.817 10.579 3.910 268 HD3 LYS 34 3HD LYS 34 8.490 8.943 3.737 269 HE2 LYS 34 2HE LYS 34 10.436 9.800 5.202 270 HE3 LYS 34 3HE LYS 34 9.418 11.231 5.506 271 HZ1 LYS 34 3HZ LYS 34 7.726 9.717 6.347 272 HZ2 LYS 34 1HZ LYS 34 8.695 8.430 6.093 273 HZ3 LYS 34 2HZ LYS 34 9.120 9.552 7.219 274 H ASN 35 H ASN 35 6.431 11.539 -0.290 275 HA ASN 35 HA ASN 35 7.427 13.372 -2.372 276 HB2 ASN 35 2HB ASN 35 8.496 10.962 -2.547 277 HB3 ASN 35 3HB ASN 35 6.899 10.517 -3.157 278 HD21 ASN 35 1HD2 ASN 35 6.116 12.332 -4.961 279 HD22 ASN 35 2HD2 ASN 35 7.404 12.706 -6.108 280 H VAL 36 H VAL 36 5.274 13.885 -0.932 281 HA VAL 36 HA VAL 36 3.136 14.537 -1.163 282 HB VAL 36 HB VAL 36 3.850 13.963 -4.024 283 HG11 VAL 36 1HG1 VAL 36 1.040 14.544 -3.090 284 HG12 VAL 36 2HG1 VAL 36 1.657 14.877 -4.732 285 HG13 VAL 36 3HG1 VAL 36 1.626 13.220 -4.141 286 HG21 VAL 36 3HG2 VAL 36 4.567 16.018 -2.840 287 HG22 VAL 36 1HG2 VAL 36 3.487 16.354 -4.202 288 HG23 VAL 36 2HG2 VAL 36 2.859 16.422 -2.542 289 H ASP 37 H ASP 37 3.019 11.696 -3.259 290 HA ASP 37 HA ASP 37 2.099 9.925 -1.220 291 HB2 ASP 37 2HB ASP 37 -0.027 11.309 -1.686 292 HB3 ASP 37 3HB ASP 37 -0.061 10.550 -3.276 293 H ASN 38 H ASN 38 4.146 10.076 -3.098 294 HA ASN 38 HA ASN 38 3.529 8.023 -5.150 295 HB2 ASN 38 2HB ASN 38 4.320 10.328 -5.840 296 HB3 ASN 38 3HB ASN 38 5.825 10.004 -4.992 297 HD21 ASN 38 1HD2 ASN 38 3.941 9.307 -7.893 298 HD22 ASN 38 2HD2 ASN 38 5.302 8.554 -8.712 299 H TYR 39 H TYR 39 5.176 8.534 -2.152 300 HA TYR 39 HA TYR 39 6.897 6.145 -2.539 301 HB2 TYR 39 2HB TYR 39 7.449 8.807 -1.174 302 HB3 TYR 39 3HB TYR 39 8.225 7.328 -0.646 303 HD1 TYR 39 HD2 TYR 39 7.629 8.289 -4.277 304 HD2 TYR 39 HD1 TYR 39 10.472 7.809 -1.056 305 HE1 TYR 39 HE2 TYR 39 9.434 8.654 -5.847 306 HE2 TYR 39 HE1 TYR 39 12.322 8.151 -2.674 307 HH TYR 39 HH TYR 39 11.763 8.754 -6.147 308 H ILE 40 H ILE 40 6.140 4.561 -1.217 309 HA ILE 40 HA ILE 40 4.992 5.228 1.405 310 HB ILE 40 HB ILE 40 3.611 3.401 -0.604 311 HG12 ILE 40 2HG1 ILE 40 2.420 5.986 0.430 312 HG13 ILE 40 3HG1 ILE 40 3.306 5.938 -1.090 313 HG21 ILE 40 1HG2 ILE 40 2.785 4.346 2.182 314 HG22 ILE 40 2HG2 ILE 40 1.860 3.236 1.152 315 HG23 ILE 40 3HG2 ILE 40 3.417 2.734 1.796 316 HD11 ILE 40 3HD1 ILE 40 1.018 4.015 -0.710 317 HD12 ILE 40 1HD1 ILE 40 0.762 5.708 -1.212 318 HD13 ILE 40 2HD1 ILE 40 1.723 4.618 -2.194 319 H SER 41 H SER 41 6.724 4.112 2.586 320 HA SER 41 HA SER 41 7.943 1.872 1.394 321 HB2 SER 41 2HB SER 41 9.001 3.339 3.137 322 HB3 SER 41 3HB SER 41 8.016 2.461 4.346 323 HG SER 41 HG SER 41 9.910 1.287 4.108 324 H ILE 42 H ILE 42 7.865 -0.262 1.709 325 HA ILE 42 HA ILE 42 5.407 -1.493 2.528 326 HB ILE 42 HB ILE 42 6.601 -3.629 2.409 327 HG12 ILE 42 2HG1 ILE 42 9.002 -3.304 1.240 328 HG13 ILE 42 3HG1 ILE 42 9.063 -1.899 2.308 329 HG21 ILE 42 1HG2 ILE 42 5.581 -2.616 0.475 330 HG22 ILE 42 2HG2 ILE 42 7.074 -1.754 0.074 331 HG23 ILE 42 3HG2 ILE 42 7.014 -3.533 0.014 332 HD11 ILE 42 3HD1 ILE 42 10.061 -3.901 3.356 333 HD12 ILE 42 1HD1 ILE 42 8.623 -3.405 4.261 334 HD13 ILE 42 2HD1 ILE 42 8.540 -4.790 3.150 335 H ASP 43 H ASP 43 7.930 -0.140 4.510 336 HA ASP 43 HA ASP 43 7.490 -1.866 6.769 337 HB2 ASP 43 2HB ASP 43 8.130 1.120 6.684 338 HB3 ASP 43 3HB ASP 43 8.228 0.085 8.116 339 H VAL 44 H VAL 44 5.737 1.064 5.543 340 HA VAL 44 HA VAL 44 3.946 1.208 7.787 341 HB VAL 44 HB VAL 44 4.457 2.594 5.210 342 HG11 VAL 44 1HG1 VAL 44 1.611 2.490 6.243 343 HG12 VAL 44 2HG1 VAL 44 2.262 3.693 5.104 344 HG13 VAL 44 3HG1 VAL 44 2.219 1.993 4.636 345 HG21 VAL 44 3HG2 VAL 44 3.370 3.501 7.904 346 HG22 VAL 44 1HG2 VAL 44 5.082 3.490 7.416 347 HG23 VAL 44 2HG2 VAL 44 3.917 4.555 6.598 348 H ILE 45 H ILE 45 3.849 -0.191 4.517 349 HA ILE 45 HA ILE 45 1.084 -0.978 4.753 350 HB ILE 45 HB ILE 45 3.090 -2.249 2.888 351 HG12 ILE 45 2HG1 ILE 45 1.623 0.361 2.254 352 HG13 ILE 45 3HG1 ILE 45 3.295 0.331 2.780 353 HG21 ILE 45 1HG2 ILE 45 1.128 -2.487 1.411 354 HG22 ILE 45 2HG2 ILE 45 0.699 -3.074 3.021 355 HG23 ILE 45 3HG2 ILE 45 0.145 -1.475 2.492 356 HD11 ILE 45 3HD1 ILE 45 2.258 -0.935 0.242 357 HD12 ILE 45 1HD1 ILE 45 3.291 0.492 0.396 358 HD13 ILE 45 2HD1 ILE 45 3.924 -1.090 0.850 359 H ALA 46 H ALA 46 4.152 -2.657 5.374 360 HA ALA 46 HA ALA 46 2.898 -5.168 6.042 361 HB1 ALA 46 1HB ALA 46 5.081 -5.687 7.120 362 HB2 ALA 46 2HB ALA 46 5.308 -5.040 5.482 363 HB3 ALA 46 3HB ALA 46 5.597 -3.999 6.898 364 H SER 47 H SER 47 3.520 -2.114 7.712 365 HA SER 47 HA SER 47 2.733 -3.277 10.310 366 HB2 SER 47 2HB SER 47 4.688 -1.791 10.124 367 HB3 SER 47 3HB SER 47 3.647 -0.490 9.541 368 HG SER 47 HG SER 47 2.482 -0.780 11.591 369 H PHE 48 H PHE 48 0.885 -2.467 7.723 370 HA PHE 48 HA PHE 48 -0.974 -0.661 8.882 371 HB2 PHE 48 2HB PHE 48 -0.741 -2.272 6.471 372 HB3 PHE 48 3HB PHE 48 -2.376 -2.406 7.057 373 HD1 PHE 48 1HD PHE 48 -2.702 0.435 8.182 374 HD2 PHE 48 2HD PHE 48 -1.149 -1.201 4.495 375 HE1 PHE 48 1HE PHE 48 -3.425 2.452 6.973 376 HE2 PHE 48 2HE PHE 48 -1.898 0.826 3.282 377 HZ PHE 48 HZ PHE 48 -3.078 2.598 4.512 378 H ASN 49 H ASN 49 -0.279 -3.630 10.090 379 HA ASN 49 HA ASN 49 -1.201 -5.240 11.278 380 HB2 ASN 49 2HB ASN 49 -2.314 -3.298 12.503 381 HB3 ASN 49 3HB ASN 49 -3.785 -3.691 11.619 382 HD21 ASN 49 1HD2 ASN 49 -3.230 -6.790 11.699 383 HD22 ASN 49 2HD2 ASN 49 -3.499 -7.091 13.401 384 H ARG 50 H ARG 50 -4.055 -3.994 9.479 385 HA ARG 50 HA ARG 50 -5.140 -6.534 8.990 386 HB2 ARG 50 2HB ARG 50 -6.164 -4.134 8.847 387 HB3 ARG 50 3HB ARG 50 -5.537 -4.105 7.191 388 HG2 ARG 50 2HG ARG 50 -6.814 -6.299 6.823 389 HG3 ARG 50 3HG ARG 50 -7.543 -6.042 8.418 390 HD2 ARG 50 2HD ARG 50 -8.335 -3.774 7.594 391 HD3 ARG 50 3HD ARG 50 -7.706 -4.190 6.000 392 HE ARG 50 HE ARG 50 -9.336 -5.807 5.693 393 HH11 ARG 50 2HH2 ARG 50 -9.740 -4.329 8.878 394 HH12 ARG 50 1HH2 ARG 50 -11.327 -4.961 9.137 395 HH21 ARG 50 2HH1 ARG 50 -11.406 -6.621 5.979 396 HH22 ARG 50 1HH1 ARG 50 -12.306 -6.334 7.433 397 H MET 51 H MET 51 -2.817 -4.719 7.025 398 HA MET 51 HA MET 51 -2.946 -6.583 4.779 399 HB2 MET 51 2HB MET 51 -1.210 -4.258 5.532 400 HB3 MET 51 3HB MET 51 -0.481 -5.505 4.528 401 HG2 MET 51 2HG MET 51 -1.272 -4.058 2.963 402 HG3 MET 51 3HG MET 51 -2.517 -5.285 2.984 403 HE1 MET 51 3HE MET 51 -4.856 -4.863 3.200 404 HE2 MET 51 1HE MET 51 -4.800 -4.613 4.959 405 HE3 MET 51 2HE MET 51 -5.647 -3.442 3.925 406 H LYS 52 H LYS 52 -0.975 -6.237 7.791 407 HA LYS 52 HA LYS 52 0.873 -8.277 7.091 408 HB2 LYS 52 2HB LYS 52 0.924 -6.609 9.136 409 HB3 LYS 52 3HB LYS 52 -0.070 -7.812 9.943 410 HG2 LYS 52 2HG LYS 52 2.171 -8.363 10.533 411 HG3 LYS 52 3HG LYS 52 1.691 -9.550 9.320 412 HD2 LYS 52 2HD LYS 52 2.808 -7.623 7.702 413 HD3 LYS 52 3HD LYS 52 3.728 -7.356 9.174 414 HE2 LYS 52 2HE LYS 52 3.401 -9.995 7.668 415 HE3 LYS 52 3HE LYS 52 4.840 -8.965 7.659 416 HZ1 LYS 52 3HZ LYS 52 5.078 -10.799 9.181 417 HZ2 LYS 52 1HZ LYS 52 5.073 -9.385 10.024 418 HZ3 LYS 52 2HZ LYS 52 3.739 -10.353 10.020 419 H THR 53 H THR 53 -2.324 -8.422 8.742 420 HA THR 53 HA THR 53 -2.116 -11.233 9.253 421 HB THR 53 HB THR 53 -4.605 -10.886 9.748 422 HG1 THR 53 1HG THR 53 -5.406 -8.906 9.568 423 HG21 THR 53 1HG2 THR 53 -4.081 -9.478 11.731 424 HG22 THR 53 2HG2 THR 53 -2.790 -10.663 11.428 425 HG23 THR 53 3HG2 THR 53 -2.557 -8.971 10.958 426 H ILE 54 H ILE 54 -3.909 -9.306 6.758 427 HA ILE 54 HA ILE 54 -5.047 -11.631 5.552 428 HB ILE 54 HB ILE 54 -4.417 -8.901 4.370 429 HG12 ILE 54 2HG1 ILE 54 -7.089 -10.137 5.190 430 HG13 ILE 54 3HG1 ILE 54 -6.125 -9.160 6.288 431 HG21 ILE 54 1HG2 ILE 54 -4.591 -10.551 2.518 432 HG22 ILE 54 2HG2 ILE 54 -6.102 -11.174 3.201 433 HG23 ILE 54 3HG2 ILE 54 -6.018 -9.532 2.537 434 HD11 ILE 54 3HD1 ILE 54 -7.332 -8.209 3.655 435 HD12 ILE 54 1HD1 ILE 54 -7.813 -7.755 5.289 436 HD13 ILE 54 2HD1 ILE 54 -6.223 -7.254 4.666 437 H SER 55 H SER 55 -1.886 -10.115 5.106 438 HA SER 55 HA SER 55 -1.252 -11.807 2.779 439 HB2 SER 55 2HB SER 55 0.977 -10.861 2.913 440 HB3 SER 55 3HB SER 55 -0.172 -9.546 3.181 441 HG SER 55 HG SER 55 0.253 -9.581 5.322 442 H THR 56 H THR 56 -0.588 -11.808 6.205 443 HA THR 56 HA THR 56 0.389 -13.184 7.608 444 HB THR 56 HB THR 56 -0.423 -15.189 5.493 445 HG1 THR 56 1HG THR 56 -1.939 -13.965 6.842 446 HG21 THR 56 1HG2 THR 56 -0.182 -16.938 7.288 447 HG22 THR 56 2HG2 THR 56 1.377 -16.326 6.715 448 HG23 THR 56 3HG2 THR 56 0.718 -15.763 8.271 449 H ASP 57 H ASP 57 1.875 -12.323 4.658 450 HA ASP 57 HA ASP 57 4.495 -13.116 5.602 451 HB2 ASP 57 2HB ASP 57 3.598 -15.191 4.519 452 HB3 ASP 57 3HB ASP 57 3.325 -14.271 3.032 453 H LEU 58 H LEU 58 5.974 -11.798 4.681 454 HA LEU 58 HA LEU 58 5.123 -9.323 3.396 455 HB2 LEU 58 2HB LEU 58 7.869 -10.505 3.982 456 HB3 LEU 58 3HB LEU 58 7.628 -8.945 3.207 457 HG LEU 58 HG LEU 58 5.990 -8.990 5.586 458 HD11 LEU 58 1HD1 LEU 58 7.523 -10.740 6.423 459 HD12 LEU 58 2HD1 LEU 58 8.915 -9.697 6.066 460 HD13 LEU 58 3HD1 LEU 58 7.743 -9.214 7.308 461 HD21 LEU 58 3HD2 LEU 58 6.896 -6.979 4.466 462 HD22 LEU 58 1HD2 LEU 58 7.362 -7.032 6.176 463 HD23 LEU 58 2HD2 LEU 58 8.543 -7.463 4.923 464 H GLN 59 H GLN 59 6.058 -12.435 2.298 465 HA GLN 59 HA GLN 59 7.042 -11.729 -0.312 466 HB2 GLN 59 2HB GLN 59 7.434 -13.920 0.756 467 HB3 GLN 59 3HB GLN 59 5.693 -14.226 0.779 468 HG2 GLN 59 2HG GLN 59 6.801 -15.457 -1.044 469 HG3 GLN 59 3HG GLN 59 5.607 -14.323 -1.665 470 HE21 GLN 59 1HE2 GLN 59 6.391 -12.305 -2.741 471 HE22 GLN 59 2HE2 GLN 59 8.042 -12.312 -3.357 472 H LEU 60 H LEU 60 3.844 -12.577 1.080 473 HA LEU 60 HA LEU 60 2.506 -12.342 -1.499 474 HB2 LEU 60 2HB LEU 60 1.960 -13.707 0.800 475 HB3 LEU 60 3HB LEU 60 0.998 -12.274 1.106 476 HG LEU 60 HG LEU 60 -0.290 -14.075 0.130 477 HD11 LEU 60 1HD1 LEU 60 -1.428 -12.957 -1.664 478 HD12 LEU 60 2HD1 LEU 60 -0.947 -11.745 -0.456 479 HD13 LEU 60 3HD1 LEU 60 -0.043 -11.912 -1.980 480 HD21 LEU 60 3HD2 LEU 60 1.580 -15.143 -1.170 481 HD22 LEU 60 1HD2 LEU 60 0.057 -14.998 -2.075 482 HD23 LEU 60 2HD2 LEU 60 1.373 -13.888 -2.410 483 H ILE 61 H ILE 61 3.118 -10.249 1.303 484 HA ILE 61 HA ILE 61 1.364 -8.150 0.350 485 HB ILE 61 HB ILE 61 2.928 -8.569 2.619 486 HG12 ILE 61 2HG1 ILE 61 0.730 -7.508 2.478 487 HG13 ILE 61 3HG1 ILE 61 1.849 -6.613 3.498 488 HG21 ILE 61 1HG2 ILE 61 4.946 -7.531 1.714 489 HG22 ILE 61 2HG2 ILE 61 4.048 -6.074 1.273 490 HG23 ILE 61 3HG2 ILE 61 4.241 -6.525 2.976 491 HD11 ILE 61 3HD1 ILE 61 1.235 -5.863 0.601 492 HD12 ILE 61 1HD1 ILE 61 0.437 -5.172 2.014 493 HD13 ILE 61 2HD1 ILE 61 2.173 -4.916 1.782 494 H THR 62 H THR 62 4.662 -9.110 -0.400 495 HA THR 62 HA THR 62 5.235 -6.654 -1.896 496 HB THR 62 HB THR 62 6.747 -9.290 -1.696 497 HG1 THR 62 1HG THR 62 6.781 -8.092 0.172 498 HG21 THR 62 1HG2 THR 62 7.346 -8.192 -3.827 499 HG22 THR 62 2HG2 THR 62 7.545 -6.636 -2.982 500 HG23 THR 62 3HG2 THR 62 8.652 -7.983 -2.646 501 H GLU 63 H GLU 63 4.069 -9.972 -2.619 502 HA GLU 63 HA GLU 63 4.197 -9.586 -5.482 503 HB2 GLU 63 2HB GLU 63 3.880 -11.863 -4.298 504 HB3 GLU 63 3HB GLU 63 2.220 -11.338 -3.969 505 HG2 GLU 63 2HG GLU 63 2.239 -10.823 -6.616 506 HG3 GLU 63 3HG GLU 63 3.594 -11.924 -6.620 507 H ALA 64 H ALA 64 1.728 -8.997 -2.997 508 HA ALA 64 HA ALA 64 -0.375 -8.317 -4.787 509 HB1 ALA 64 1HB ALA 64 0.232 -7.153 -2.037 510 HB2 ALA 64 2HB ALA 64 -1.303 -6.979 -2.937 511 HB3 ALA 64 3HB ALA 64 -0.740 -8.597 -2.411 512 H LEU 65 H LEU 65 2.248 -6.307 -3.373 513 HA LEU 65 HA LEU 65 1.363 -3.869 -4.625 514 HB2 LEU 65 2HB LEU 65 3.980 -4.838 -3.417 515 HB3 LEU 65 3HB LEU 65 3.849 -3.251 -4.170 516 HG LEU 65 HG LEU 65 1.938 -4.118 -1.982 517 HD11 LEU 65 1HD1 LEU 65 4.503 -2.491 -1.664 518 HD12 LEU 65 2HD1 LEU 65 3.345 -2.968 -0.392 519 HD13 LEU 65 3HD1 LEU 65 4.323 -4.202 -1.192 520 HD21 LEU 65 3HD2 LEU 65 1.309 -2.126 -3.424 521 HD22 LEU 65 1HD2 LEU 65 1.587 -1.705 -1.738 522 HD23 LEU 65 2HD2 LEU 65 2.842 -1.363 -2.948 523 H LYS 66 H LYS 66 3.564 -6.490 -5.607 524 HA LYS 66 HA LYS 66 4.493 -5.169 -8.000 525 HB2 LYS 66 2HB LYS 66 5.597 -7.098 -6.780 526 HB3 LYS 66 3HB LYS 66 4.364 -8.164 -7.485 527 HG2 LYS 66 2HG LYS 66 5.085 -7.505 -9.750 528 HG3 LYS 66 3HG LYS 66 6.248 -6.352 -9.064 529 HD2 LYS 66 2HD LYS 66 7.408 -8.256 -7.925 530 HD3 LYS 66 3HD LYS 66 6.301 -9.384 -8.724 531 HE2 LYS 66 2HE LYS 66 8.239 -7.451 -10.079 532 HE3 LYS 66 3HE LYS 66 8.452 -9.202 -9.934 533 HZ1 LYS 66 3HZ LYS 66 6.296 -7.848 -11.431 534 HZ2 LYS 66 1HZ LYS 66 7.596 -8.611 -12.089 535 HZ3 LYS 66 2HZ LYS 66 6.456 -9.478 -11.275 536 H LYS 67 H LYS 67 1.566 -6.873 -7.195 537 HA LYS 67 HA LYS 67 0.681 -6.903 -10.038 538 HB2 LYS 67 2HB LYS 67 0.216 -8.564 -7.610 539 HB3 LYS 67 3HB LYS 67 -1.254 -8.206 -8.485 540 HG2 LYS 67 2HG LYS 67 -0.439 -9.173 -10.516 541 HG3 LYS 67 3HG LYS 67 1.200 -9.365 -9.845 542 HD2 LYS 67 2HD LYS 67 0.387 -10.924 -8.158 543 HD3 LYS 67 3HD LYS 67 -1.295 -10.668 -8.658 544 HE2 LYS 67 2HE LYS 67 -0.921 -11.709 -10.785 545 HE3 LYS 67 3HE LYS 67 0.837 -11.782 -10.521 546 HZ1 LYS 67 3HZ LYS 67 0.481 -13.350 -8.766 547 HZ2 LYS 67 1HZ LYS 67 -1.136 -13.147 -8.827 548 HZ3 LYS 67 2HZ LYS 67 -0.394 -13.888 -10.065 549 H SER 68 H SER 68 0.699 -4.490 -7.881 550 HA SER 68 HA SER 68 -1.816 -4.018 -7.072 551 HB2 SER 68 2HB SER 68 -1.207 -1.520 -7.344 552 HB3 SER 68 3HB SER 68 -0.271 -2.509 -6.244 553 HG SER 68 HG SER 68 1.349 -2.642 -7.824 554 H THR 69 H THR 69 -3.678 -2.969 -7.732 555 HA THR 69 HA THR 69 -4.069 -3.259 -10.656 556 HB THR 69 HB THR 69 -5.460 -4.713 -9.531 557 HG1 THR 69 1HG THR 69 -6.598 -3.469 -11.054 558 HG21 THR 69 1HG2 THR 69 -6.537 -2.552 -7.727 559 HG22 THR 69 2HG2 THR 69 -7.017 -4.233 -7.719 560 HG23 THR 69 3HG2 THR 69 -5.415 -3.808 -7.139 561 H ARG 70 H ARG 70 -4.849 -0.937 -8.004 562 HA ARG 70 HA ARG 70 -5.240 1.108 -10.136 563 HB2 ARG 70 2HB ARG 70 -5.803 1.330 -7.161 564 HB3 ARG 70 3HB ARG 70 -6.212 2.509 -8.407 565 HG2 ARG 70 2HG ARG 70 -7.712 0.965 -9.487 566 HG3 ARG 70 3HG ARG 70 -7.304 -0.343 -8.371 567 HD2 ARG 70 2HD ARG 70 -8.238 2.207 -7.122 568 HD3 ARG 70 3HD ARG 70 -9.443 1.309 -8.069 569 HE ARG 70 HE ARG 70 -8.103 -0.522 -6.383 570 HH11 ARG 70 2HH2 ARG 70 -10.426 2.143 -6.139 571 HH12 ARG 70 1HH2 ARG 70 -10.965 1.764 -4.565 572 HH21 ARG 70 2HH1 ARG 70 -8.922 -1.207 -4.432 573 HH22 ARG 70 1HH1 ARG 70 -10.270 -0.419 -3.653 574 H LEU 71 H LEU 71 -2.632 0.070 -8.090 575 HA LEU 71 HA LEU 71 -1.441 2.795 -8.217 576 HB2 LEU 71 2HB LEU 71 -0.466 0.742 -6.248 577 HB3 LEU 71 3HB LEU 71 -0.463 2.481 -6.167 578 HG LEU 71 HG LEU 71 -2.914 0.743 -5.801 579 HD11 LEU 71 1HD1 LEU 71 -1.141 2.134 -3.754 580 HD12 LEU 71 2HD1 LEU 71 -2.686 1.338 -3.404 581 HD13 LEU 71 3HD1 LEU 71 -1.315 0.380 -3.997 582 HD21 LEU 71 3HD2 LEU 71 -2.487 3.661 -5.075 583 HD22 LEU 71 1HD2 LEU 71 -3.346 3.156 -6.546 584 HD23 LEU 71 2HD2 LEU 71 -3.999 2.765 -4.945 585 H GLN 72 H GLN 72 1.143 2.412 -8.082 586 HA GLN 72 HA GLN 72 1.901 -0.150 -9.362 587 HB2 GLN 72 2HB GLN 72 2.517 2.593 -10.511 588 HB3 GLN 72 3HB GLN 72 3.676 1.277 -10.661 589 HG2 GLN 72 2HG GLN 72 2.599 0.879 -12.584 590 HG3 GLN 72 3HG GLN 72 1.552 -0.089 -11.554 591 HE21 GLN 72 1HE2 GLN 72 -0.665 0.481 -11.536 592 HE22 GLN 72 2HE2 GLN 72 -1.286 1.870 -12.405 593 H VAL 73 H VAL 73 3.611 -1.024 -8.356 594 HA VAL 73 HA VAL 73 5.060 0.547 -6.344 595 HB VAL 73 HB VAL 73 3.988 -1.722 -5.902 596 HG11 VAL 73 1HG1 VAL 73 5.290 -3.713 -6.457 597 HG12 VAL 73 2HG1 VAL 73 4.784 -2.888 -7.951 598 HG13 VAL 73 3HG1 VAL 73 6.459 -2.760 -7.365 599 HG21 VAL 73 3HG2 VAL 73 5.474 -0.850 -4.263 600 HG22 VAL 73 1HG2 VAL 73 5.989 -2.516 -4.538 601 HG23 VAL 73 2HG2 VAL 73 6.895 -1.175 -5.268 602 H SER 74 H SER 74 7.302 0.782 -6.417 603 HA SER 74 HA SER 74 8.947 -0.533 -8.389 604 HB2 SER 74 2HB SER 74 7.629 1.506 -9.528 605 HB3 SER 74 3HB SER 74 8.820 2.447 -8.597 606 HG SER 74 HG SER 74 9.282 0.488 -10.611 607 H GLU 75 H GLU 75 10.876 1.567 -8.491 608 HA GLU 75 HA GLU 75 12.781 2.201 -7.581 609 HB2 GLU 75 2HB GLU 75 10.977 2.570 -5.204 610 HB3 GLU 75 3HB GLU 75 12.708 2.503 -4.900 611 HG2 GLU 75 2HG GLU 75 11.415 4.363 -6.933 612 HG3 GLU 75 3HG GLU 75 11.811 4.817 -5.271 613 H ASP 76 H ASP 76 11.370 0.154 -5.174 614 HA ASP 76 HA ASP 76 13.365 -2.016 -5.579 615 HB2 ASP 76 2HB ASP 76 14.475 -0.274 -4.128 616 HB3 ASP 76 3HB ASP 76 13.196 -0.506 -2.935 617 H GLY 77 H GLY 77 10.255 -1.458 -5.517 618 HA2 GLY 77 2HA GLY 77 8.376 -2.494 -4.585 619 HA3 GLY 77 3HA GLY 77 9.427 -3.753 -3.930 620 H LYS 78 H LYS 78 10.207 -0.423 -3.198 621 HA LYS 78 HA LYS 78 9.010 -0.687 -0.469 622 HB2 LYS 78 2HB LYS 78 11.649 0.543 -1.310 623 HB3 LYS 78 3HB LYS 78 10.909 0.737 0.295 624 HG2 LYS 78 2HG LYS 78 10.864 -1.696 0.622 625 HG3 LYS 78 3HG LYS 78 11.571 -1.939 -0.986 626 HD2 LYS 78 2HD LYS 78 13.559 -0.614 -0.277 627 HD3 LYS 78 3HD LYS 78 12.893 -0.549 1.382 628 HE2 LYS 78 2HE LYS 78 12.930 -2.929 1.595 629 HE3 LYS 78 3HE LYS 78 13.101 -3.144 -0.160 630 HZ1 LYS 78 3HZ LYS 78 15.264 -2.295 -0.090 631 HZ2 LYS 78 1HZ LYS 78 15.215 -1.987 1.533 632 HZ3 LYS 78 2HZ LYS 78 15.184 -3.545 0.955 633 H MET 79 H MET 79 8.309 0.705 -3.312 634 HA MET 79 HA MET 79 7.012 2.846 -1.889 635 HB2 MET 79 2HB MET 79 8.825 3.379 -4.326 636 HB3 MET 79 3HB MET 79 7.563 4.477 -3.790 637 HG2 MET 79 2HG MET 79 9.400 5.427 -2.816 638 HG3 MET 79 3HG MET 79 8.773 4.450 -1.493 639 HE1 MET 79 3HE MET 79 12.304 3.897 -0.394 640 HE2 MET 79 1HE MET 79 11.315 5.351 -0.675 641 HE3 MET 79 2HE MET 79 10.584 3.902 0.054 642 H VAL 80 H VAL 80 5.038 3.349 -2.827 643 HA VAL 80 HA VAL 80 4.498 2.256 -5.465 644 HB VAL 80 HB VAL 80 3.616 0.478 -4.212 645 HG11 VAL 80 1HG1 VAL 80 3.737 1.346 -1.932 646 HG12 VAL 80 2HG1 VAL 80 2.414 2.488 -2.282 647 HG13 VAL 80 3HG1 VAL 80 2.100 0.755 -2.240 648 HG21 VAL 80 3HG2 VAL 80 1.219 0.571 -4.468 649 HG22 VAL 80 1HG2 VAL 80 1.245 2.344 -4.525 650 HG23 VAL 80 2HG2 VAL 80 1.981 1.389 -5.836 651 H ARG 81 H ARG 81 3.008 3.461 -6.533 652 HA ARG 81 HA ARG 81 2.465 6.122 -5.261 653 HB2 ARG 81 2HB ARG 81 2.874 7.156 -7.408 654 HB3 ARG 81 3HB ARG 81 4.267 6.165 -6.953 655 HG2 ARG 81 2HG ARG 81 2.821 4.356 -8.461 656 HG3 ARG 81 3HG ARG 81 2.364 5.883 -9.230 657 HD2 ARG 81 2HD ARG 81 4.845 6.404 -9.383 658 HD3 ARG 81 3HD ARG 81 5.153 4.771 -8.740 659 HE ARG 81 HE ARG 81 3.392 4.651 -10.989 660 HH11 ARG 81 2HH2 ARG 81 6.781 5.176 -10.179 661 HH12 ARG 81 1HH2 ARG 81 7.414 4.631 -11.691 662 HH21 ARG 81 2HH1 ARG 81 4.179 3.918 -13.035 663 HH22 ARG 81 1HH1 ARG 81 5.873 3.899 -13.372 664 H ARG 82 H ARG 82 0.381 6.834 -5.302 665 HA ARG 82 HA ARG 82 -1.536 4.980 -6.582 666 HB2 ARG 82 2HB ARG 82 -3.244 5.989 -5.258 667 HB3 ARG 82 3HB ARG 82 -1.864 5.634 -4.232 668 HG2 ARG 82 2HG ARG 82 -2.672 7.633 -3.486 669 HG3 ARG 82 3HG ARG 82 -1.211 8.091 -4.378 670 HD2 ARG 82 2HD ARG 82 -2.470 9.038 -6.144 671 HD3 ARG 82 3HD ARG 82 -3.926 8.118 -5.735 672 HE ARG 82 HE ARG 82 -3.097 10.664 -4.710 673 HH11 ARG 82 2HH2 ARG 82 -4.841 7.762 -3.809 674 HH12 ARG 82 1HH2 ARG 82 -6.044 8.510 -2.824 675 HH21 ARG 82 2HH1 ARG 82 -4.674 11.779 -3.438 676 HH22 ARG 82 1HH1 ARG 82 -5.919 10.909 -2.604 677 H LEU 83 H LEU 83 -3.504 6.184 -7.553 678 HA LEU 83 HA LEU 83 -2.373 7.470 -9.901 679 HB2 LEU 83 2HB LEU 83 -4.538 7.030 -10.889 680 HB3 LEU 83 3HB LEU 83 -3.940 5.570 -10.117 681 HG LEU 83 HG LEU 83 -5.920 7.442 -8.750 682 HD11 LEU 83 1HD1 LEU 83 -7.715 6.086 -9.552 683 HD12 LEU 83 2HD1 LEU 83 -6.806 6.668 -10.940 684 HD13 LEU 83 3HD1 LEU 83 -6.587 4.985 -10.396 685 HD21 LEU 83 3HD2 LEU 83 -4.895 4.687 -8.152 686 HD22 LEU 83 1HD2 LEU 83 -5.333 6.022 -7.037 687 HD23 LEU 83 2HD2 LEU 83 -6.578 5.052 -7.807 688 H ASP 84 H ASP 84 -3.242 9.397 -10.878 689 HA ASP 84 HA ASP 84 -3.669 11.543 -9.098 690 HB2 ASP 84 2HB ASP 84 -3.589 11.165 -12.059 691 HB3 ASP 84 3HB ASP 84 -4.449 12.594 -11.473 692 HA PRO 85 HA PRO 85 -8.218 11.846 -10.245 693 HB2 PRO 85 2HB PRO 85 -9.522 10.040 -11.833 694 HB3 PRO 85 3HB PRO 85 -8.553 11.390 -12.508 695 HG2 PRO 85 2HG PRO 85 -7.688 8.517 -12.073 696 HG3 PRO 85 3HG PRO 85 -7.514 9.506 -13.558 697 HD2 PRO 85 2HD PRO 85 -5.479 9.226 -11.769 698 HD3 PRO 85 3HD PRO 85 -5.766 10.776 -12.620 699 H LEU 86 H LEU 86 -10.233 10.825 -9.289 700 HA LEU 86 HA LEU 86 -9.357 9.427 -7.013 701 HB2 LEU 86 2HB LEU 86 -11.667 9.368 -6.294 702 HB3 LEU 86 3HB LEU 86 -11.246 10.943 -6.932 703 HG LEU 86 HG LEU 86 -12.379 9.252 -9.057 704 HD11 LEU 86 1HD1 LEU 86 -13.528 8.143 -7.164 705 HD12 LEU 86 2HD1 LEU 86 -14.107 9.724 -6.590 706 HD13 LEU 86 3HD1 LEU 86 -14.656 9.080 -8.154 707 HD21 LEU 86 3HD2 LEU 86 -13.895 11.157 -9.303 708 HD22 LEU 86 1HD2 LEU 86 -13.345 11.828 -7.753 709 HD23 LEU 86 2HD2 LEU 86 -12.226 11.723 -9.131 710 HA PRO 87 HA PRO 87 -9.457 5.232 -8.257 711 HB2 PRO 87 2HB PRO 87 -9.606 3.954 -5.823 712 HB3 PRO 87 3HB PRO 87 -8.168 4.838 -6.370 713 HG2 PRO 87 2HG PRO 87 -10.361 5.825 -4.533 714 HG3 PRO 87 3HG PRO 87 -8.574 5.947 -4.339 715 HD2 PRO 87 2HD PRO 87 -10.061 8.006 -5.321 716 HD3 PRO 87 3HD PRO 87 -8.416 7.657 -5.938 717 H GLU 88 H GLU 88 -11.447 5.064 -9.434 718 HA GLU 88 HA GLU 88 -13.696 3.890 -7.853 719 HB2 GLU 88 2HB GLU 88 -14.153 6.204 -8.553 720 HB3 GLU 88 3HB GLU 88 -13.788 5.797 -10.229 721 HG2 GLU 88 2HG GLU 88 -16.219 5.888 -9.810 722 HG3 GLU 88 3HG GLU 88 -15.720 4.276 -10.320 723 H ASN 89 H ASN 89 -13.175 1.767 -8.263 724 HA ASN 89 HA ASN 89 -12.727 -0.187 -9.375 725 HB2 ASN 89 2HB ASN 89 -14.789 1.002 -11.252 726 HB3 ASN 89 3HB ASN 89 -14.338 -0.696 -11.168 727 HD21 ASN 89 1HD2 ASN 89 -16.449 1.663 -9.799 728 HD22 ASN 89 2HD2 ASN 89 -16.982 0.724 -8.465 729 H ILE 90 H ILE 90 -10.737 1.698 -10.075 730 HA ILE 90 HA ILE 90 -10.456 1.445 -12.972 731 HB ILE 90 HB ILE 90 -8.933 2.824 -10.742 732 HG12 ILE 90 2HG1 ILE 90 -10.122 3.920 -13.332 733 HG13 ILE 90 3HG1 ILE 90 -11.068 3.710 -11.868 734 HG21 ILE 90 1HG2 ILE 90 -7.987 2.689 -13.647 735 HG22 ILE 90 2HG2 ILE 90 -7.342 3.779 -12.408 736 HG23 ILE 90 3HG2 ILE 90 -7.126 2.046 -12.232 737 HD11 ILE 90 3HD1 ILE 90 -8.677 5.549 -12.164 738 HD12 ILE 90 1HD1 ILE 90 -10.379 5.999 -11.977 739 HD13 ILE 90 2HD1 ILE 90 -9.533 5.212 -10.635 740 H ASP 91 H ASP 91 -8.398 0.530 -13.905 741 HA ASP 91 HA ASP 91 -6.827 -1.352 -12.417 742 HB2 ASP 91 2HB ASP 91 -8.859 -2.697 -13.132 743 HB3 ASP 91 3HB ASP 91 -8.497 -2.269 -14.805 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -6.162 -18.057 -1.581 2 H2 MET 1 H2 MET 1 -6.703 -19.492 -0.988 3 H3 MET 1 H3 MET 1 -5.298 -18.816 -0.412 4 HA MET 1 HA MET 1 -4.739 -20.615 -1.818 5 HB2 MET 1 2HB MET 1 -6.561 -19.170 -3.751 6 HB3 MET 1 3HB MET 1 -5.266 -20.212 -4.340 7 HG2 MET 1 2HG MET 1 -7.358 -21.162 -2.360 8 HG3 MET 1 3HG MET 1 -7.393 -21.432 -4.109 9 HE1 MET 1 1HE MET 1 -6.310 -25.002 -3.437 10 HE2 MET 1 2HE MET 1 -7.605 -24.076 -2.640 11 HE3 MET 1 3HE MET 1 -7.305 -23.876 -4.385 12 H SER 2 H SER 2 -4.602 -18.203 -4.351 13 HA SER 2 HA SER 2 -2.133 -17.034 -3.236 14 HB2 SER 2 2HB SER 2 -1.380 -18.960 -4.555 15 HB3 SER 2 3HB SER 2 -2.340 -18.421 -5.947 16 HG SER 2 HG SER 2 -0.061 -17.785 -5.934 17 H GLU 3 H GLU 3 -3.893 -17.037 -6.428 18 HA GLU 3 HA GLU 3 -3.890 -14.205 -6.572 19 HB2 GLU 3 2HB GLU 3 -5.302 -14.535 -8.516 20 HB3 GLU 3 3HB GLU 3 -4.065 -15.799 -8.472 21 HG2 GLU 3 2HG GLU 3 -5.937 -17.186 -7.182 22 HG3 GLU 3 3HG GLU 3 -7.037 -16.019 -7.923 23 H GLU 4 H GLU 4 -6.363 -16.390 -5.168 24 HA GLU 4 HA GLU 4 -8.371 -14.413 -4.832 25 HB2 GLU 4 2HB GLU 4 -7.520 -16.682 -2.980 26 HB3 GLU 4 3HB GLU 4 -9.003 -15.740 -2.774 27 HG2 GLU 4 2HG GLU 4 -9.873 -16.554 -4.907 28 HG3 GLU 4 3HG GLU 4 -8.379 -17.470 -5.197 29 H THR 5 H THR 5 -5.822 -15.408 -2.499 30 HA THR 5 HA THR 5 -6.472 -13.473 -0.557 31 HB THR 5 HB THR 5 -3.811 -14.815 -1.099 32 HG1 THR 5 1HG THR 5 -6.002 -15.877 0.332 33 HG21 THR 5 1HG2 THR 5 -3.631 -14.878 1.385 34 HG22 THR 5 2HG2 THR 5 -3.788 -13.215 0.794 35 HG23 THR 5 3HG2 THR 5 -5.187 -14.027 1.518 36 H SER 6 H SER 6 -4.011 -13.536 -3.129 37 HA SER 6 HA SER 6 -2.747 -11.083 -2.518 38 HB2 SER 6 2HB SER 6 -1.836 -12.905 -3.993 39 HB3 SER 6 3HB SER 6 -3.037 -12.464 -5.221 40 HG SER 6 HG SER 6 -0.899 -10.889 -4.209 41 H THR 7 H THR 7 -5.539 -11.822 -4.644 42 HA THR 7 HA THR 7 -5.776 -9.046 -5.422 43 HB THR 7 HB THR 7 -7.752 -11.353 -5.713 44 HG1 THR 7 1HG THR 7 -6.035 -11.782 -6.926 45 HG21 THR 7 1HG2 THR 7 -8.970 -9.240 -5.953 46 HG22 THR 7 2HG2 THR 7 -7.703 -8.602 -7.032 47 HG23 THR 7 3HG2 THR 7 -8.723 -9.962 -7.550 48 H GLN 8 H GLN 8 -7.165 -10.996 -2.839 49 HA GLN 8 HA GLN 8 -9.185 -9.069 -2.035 50 HB2 GLN 8 2HB GLN 8 -7.732 -11.399 -0.754 51 HB3 GLN 8 3HB GLN 8 -8.591 -10.274 0.287 52 HG2 GLN 8 2HG GLN 8 -9.948 -11.559 -2.116 53 HG3 GLN 8 3HG GLN 8 -9.876 -12.344 -0.535 54 HE21 GLN 8 1HE2 GLN 8 -11.642 -9.984 -2.416 55 HE22 GLN 8 2HE2 GLN 8 -12.554 -9.320 -1.088 56 H ILE 9 H ILE 9 -5.721 -9.523 -1.459 57 HA ILE 9 HA ILE 9 -5.771 -7.541 0.670 58 HB ILE 9 HB ILE 9 -4.172 -9.624 0.376 59 HG12 ILE 9 2HG1 ILE 9 -3.258 -6.937 1.439 60 HG13 ILE 9 3HG1 ILE 9 -4.382 -8.009 2.275 61 HG21 ILE 9 1HG2 ILE 9 -2.996 -8.728 -1.692 62 HG22 ILE 9 2HG2 ILE 9 -2.353 -7.429 -0.675 63 HG23 ILE 9 3HG2 ILE 9 -1.946 -9.133 -0.359 64 HD11 ILE 9 3HD1 ILE 9 -1.431 -8.486 1.697 65 HD12 ILE 9 1HD1 ILE 9 -2.254 -8.381 3.257 66 HD13 ILE 9 2HD1 ILE 9 -2.542 -9.786 2.200 67 H LEU 10 H LEU 10 -4.875 -7.793 -2.712 68 HA LEU 10 HA LEU 10 -3.621 -5.280 -3.021 69 HB2 LEU 10 2HB LEU 10 -3.720 -7.253 -4.640 70 HB3 LEU 10 3HB LEU 10 -5.326 -6.702 -5.094 71 HG LEU 10 HG LEU 10 -2.600 -5.738 -5.783 72 HD11 LEU 10 1HD1 LEU 10 -5.345 -5.620 -7.118 73 HD12 LEU 10 2HD1 LEU 10 -3.785 -5.257 -7.898 74 HD13 LEU 10 3HD1 LEU 10 -4.118 -6.888 -7.331 75 HD21 LEU 10 3HD2 LEU 10 -3.278 -3.736 -4.557 76 HD22 LEU 10 1HD2 LEU 10 -3.286 -3.435 -6.276 77 HD23 LEU 10 2HD2 LEU 10 -4.819 -3.704 -5.451 78 H LYS 11 H LYS 11 -7.087 -6.182 -3.511 79 HA LYS 11 HA LYS 11 -7.981 -3.479 -4.018 80 HB2 LYS 11 2HB LYS 11 -9.310 -6.025 -3.060 81 HB3 LYS 11 3HB LYS 11 -10.091 -4.516 -2.648 82 HG2 LYS 11 2HG LYS 11 -11.117 -4.613 -4.580 83 HG3 LYS 11 3HG LYS 11 -9.631 -4.043 -5.313 84 HD2 LYS 11 2HD LYS 11 -9.089 -6.213 -6.121 85 HD3 LYS 11 3HD LYS 11 -10.110 -7.013 -4.910 86 HE2 LYS 11 2HE LYS 11 -11.194 -7.089 -7.112 87 HE3 LYS 11 3HE LYS 11 -12.141 -6.194 -5.910 88 HZ1 LYS 11 3HZ LYS 11 -11.387 -4.136 -6.893 89 HZ2 LYS 11 1HZ LYS 11 -10.441 -4.930 -7.977 90 HZ3 LYS 11 2HZ LYS 11 -12.084 -5.042 -8.027 91 H GLN 12 H GLN 12 -7.426 -5.314 -1.078 92 HA GLN 12 HA GLN 12 -8.343 -3.200 0.636 93 HB2 GLN 12 2HB GLN 12 -7.024 -5.826 1.053 94 HB3 GLN 12 3HB GLN 12 -6.758 -4.658 2.329 95 HG2 GLN 12 2HG GLN 12 -9.552 -5.214 1.297 96 HG3 GLN 12 3HG GLN 12 -8.784 -6.232 2.514 97 HE21 GLN 12 1HE2 GLN 12 -7.819 -2.813 2.764 98 HE22 GLN 12 2HE2 GLN 12 -8.989 -2.452 4.007 99 H VAL 13 H VAL 13 -5.331 -3.469 -1.079 100 HA VAL 13 HA VAL 13 -3.897 -1.686 0.768 101 HB VAL 13 HB VAL 13 -3.386 -2.538 -2.090 102 HG11 VAL 13 1HG1 VAL 13 -1.483 -1.153 -0.130 103 HG12 VAL 13 2HG1 VAL 13 -1.102 -1.646 -1.795 104 HG13 VAL 13 3HG1 VAL 13 -2.267 -0.348 -1.481 105 HG21 VAL 13 3HG2 VAL 13 -1.667 -3.378 0.261 106 HG22 VAL 13 1HG2 VAL 13 -3.113 -4.287 -0.129 107 HG23 VAL 13 2HG2 VAL 13 -1.832 -4.129 -1.338 108 H GLU 14 H GLU 14 -5.504 -1.484 -2.467 109 HA GLU 14 HA GLU 14 -5.184 1.320 -2.687 110 HB2 GLU 14 2HB GLU 14 -5.784 -0.144 -4.606 111 HB3 GLU 14 3HB GLU 14 -7.341 -0.470 -3.857 112 HG2 GLU 14 2HG GLU 14 -7.292 2.353 -3.976 113 HG3 GLU 14 3HG GLU 14 -6.387 1.925 -5.380 114 H TYR 15 H TYR 15 -7.577 -0.618 -0.931 115 HA TYR 15 HA TYR 15 -9.656 1.137 -0.629 116 HB2 TYR 15 2HB TYR 15 -9.963 -1.054 0.137 117 HB3 TYR 15 3HB TYR 15 -8.385 -1.103 0.893 118 HD1 TYR 15 HD2 TYR 15 -11.832 0.190 1.332 119 HD2 TYR 15 HD1 TYR 15 -7.923 -0.380 3.071 120 HE1 TYR 15 HE2 TYR 15 -12.666 1.038 3.488 121 HE2 TYR 15 HE1 TYR 15 -8.736 0.420 5.213 122 HH TYR 15 HH TYR 15 -11.762 2.089 5.527 123 H TYR 16 H TYR 16 -6.585 0.947 1.272 124 HA TYR 16 HA TYR 16 -7.367 2.909 3.200 125 HB2 TYR 16 2HB TYR 16 -4.609 2.106 2.189 126 HB3 TYR 16 3HB TYR 16 -4.921 3.139 3.572 127 HD1 TYR 16 HD1 TYR 16 -6.416 2.173 5.465 128 HD2 TYR 16 HD2 TYR 16 -4.438 -0.213 2.474 129 HE1 TYR 16 HE1 TYR 16 -6.355 0.281 7.029 130 HE2 TYR 16 HE2 TYR 16 -4.347 -2.116 4.057 131 HH TYR 16 HH TYR 16 -5.113 -1.789 7.448 132 H PHE 17 H PHE 17 -5.993 3.249 -0.028 133 HA PHE 17 HA PHE 17 -5.633 6.124 0.322 134 HB2 PHE 17 2HB PHE 17 -5.314 4.334 -2.126 135 HB3 PHE 17 3HB PHE 17 -4.803 6.011 -2.001 136 HD1 PHE 17 2HD PHE 17 -2.971 6.671 -0.362 137 HD2 PHE 17 1HD PHE 17 -3.987 2.555 -1.167 138 HE1 PHE 17 2HE PHE 17 -0.925 5.952 0.763 139 HE2 PHE 17 1HE PHE 17 -1.930 1.820 -0.001 140 HZ PHE 17 HZ PHE 17 -0.407 3.510 0.998 141 H SER 18 H SER 18 -8.124 3.999 -0.723 142 HA SER 18 HA SER 18 -9.438 5.914 -2.498 143 HB2 SER 18 2HB SER 18 -9.121 3.503 -3.144 144 HB3 SER 18 3HB SER 18 -10.042 3.018 -1.715 145 HG SER 18 HG SER 18 -11.807 4.332 -2.672 146 H ASP 19 H ASP 19 -9.799 4.630 0.701 147 HA ASP 19 HA ASP 19 -12.609 5.395 0.985 148 HB2 ASP 19 2HB ASP 19 -11.501 3.322 1.774 149 HB3 ASP 19 3HB ASP 19 -10.482 4.282 2.853 150 H SER 20 H SER 20 -10.458 7.403 0.388 151 HA SER 20 HA SER 20 -9.210 9.095 1.136 152 HB2 SER 20 2HB SER 20 -11.888 9.680 1.114 153 HB3 SER 20 3HB SER 20 -11.420 10.260 2.721 154 HG SER 20 HG SER 20 -11.122 11.795 0.996 155 H ASN 21 H ASN 21 -8.853 6.764 2.853 156 HA ASN 21 HA ASN 21 -8.690 8.020 5.500 157 HB2 ASN 21 2HB ASN 21 -9.495 5.566 4.961 158 HB3 ASN 21 3HB ASN 21 -7.760 5.213 5.084 159 HD21 ASN 21 1HD2 ASN 21 -7.094 4.762 7.274 160 HD22 ASN 21 2HD2 ASN 21 -7.782 5.548 8.605 161 H PHE 22 H PHE 22 -6.582 7.680 2.754 162 HA PHE 22 HA PHE 22 -4.095 7.594 4.086 163 HB2 PHE 22 2HB PHE 22 -3.598 7.392 1.953 164 HB3 PHE 22 3HB PHE 22 -5.099 8.140 1.427 165 HD1 PHE 22 2HD PHE 22 -1.776 9.177 2.920 166 HD2 PHE 22 1HD PHE 22 -4.995 10.075 0.195 167 HE1 PHE 22 2HE PHE 22 -0.635 11.258 2.230 168 HE2 PHE 22 1HE PHE 22 -3.912 12.151 -0.427 169 HZ PHE 22 HZ PHE 22 -1.684 12.778 0.570 170 HA PRO 23 HA PRO 23 -4.104 12.209 4.447 171 HB2 PRO 23 2HB PRO 23 -6.320 13.803 4.147 172 HB3 PRO 23 3HB PRO 23 -5.309 13.264 2.765 173 HG2 PRO 23 2HG PRO 23 -7.913 12.077 3.756 174 HG3 PRO 23 3HG PRO 23 -7.419 12.429 2.068 175 HD2 PRO 23 2HD PRO 23 -7.211 9.954 3.250 176 HD3 PRO 23 3HD PRO 23 -6.145 10.489 1.950 177 H ARG 24 H ARG 24 -6.652 10.250 5.737 178 HA ARG 24 HA ARG 24 -7.089 11.948 8.085 179 HB2 ARG 24 2HB ARG 24 -8.741 10.309 6.859 180 HB3 ARG 24 3HB ARG 24 -7.879 9.040 7.741 181 HG2 ARG 24 2HG ARG 24 -8.335 10.786 9.787 182 HG3 ARG 24 3HG ARG 24 -9.692 11.225 8.730 183 HD2 ARG 24 2HD ARG 24 -10.397 8.838 8.674 184 HD3 ARG 24 3HD ARG 24 -8.987 8.420 9.673 185 HE ARG 24 HE ARG 24 -10.765 10.453 10.798 186 HH11 ARG 24 2HH2 ARG 24 -10.088 7.012 10.557 187 HH12 ARG 24 1HH2 ARG 24 -10.769 6.578 12.086 188 HH21 ARG 24 2HH1 ARG 24 -11.734 9.937 12.846 189 HH22 ARG 24 1HH1 ARG 24 -11.767 8.306 13.411 190 H ASP 25 H ASP 25 -5.391 8.909 7.261 191 HA ASP 25 HA ASP 25 -4.600 8.430 10.010 192 HB2 ASP 25 2HB ASP 25 -3.978 7.107 7.359 193 HB3 ASP 25 3HB ASP 25 -3.235 6.586 8.871 194 H LYS 26 H LYS 26 -3.153 9.937 10.716 195 HA LYS 26 HA LYS 26 -1.071 11.086 9.285 196 HB2 LYS 26 2HB LYS 26 0.030 11.698 11.233 197 HB3 LYS 26 3HB LYS 26 -1.678 11.737 11.629 198 HG2 LYS 26 2HG LYS 26 -0.149 9.212 12.310 199 HG3 LYS 26 3HG LYS 26 0.245 10.670 13.200 200 HD2 LYS 26 2HD LYS 26 -2.067 10.932 13.929 201 HD3 LYS 26 3HD LYS 26 -2.552 9.492 12.992 202 HE2 LYS 26 2HE LYS 26 -1.011 8.089 14.293 203 HE3 LYS 26 3HE LYS 26 -0.393 9.505 15.153 204 HZ1 LYS 26 3HZ LYS 26 -1.993 8.291 16.462 205 HZ2 LYS 26 1HZ LYS 26 -2.560 9.798 16.138 206 HZ3 LYS 26 2HZ LYS 26 -3.163 8.497 15.325 207 H PHE 27 H PHE 27 -1.208 7.806 10.329 208 HA PHE 27 HA PHE 27 1.515 6.954 10.181 209 HB2 PHE 27 2HB PHE 27 -0.483 5.687 11.054 210 HB3 PHE 27 3HB PHE 27 -1.111 5.568 9.420 211 HD1 PHE 27 2HD PHE 27 2.209 4.984 11.101 212 HD2 PHE 27 1HD PHE 27 -0.860 3.400 8.506 213 HE1 PHE 27 2HE PHE 27 3.465 2.902 10.898 214 HE2 PHE 27 1HE PHE 27 0.406 1.273 8.328 215 HZ PHE 27 HZ PHE 27 2.545 0.997 9.542 216 H LEU 28 H LEU 28 -1.081 7.056 7.695 217 HA LEU 28 HA LEU 28 0.699 6.190 5.569 218 HB2 LEU 28 2HB LEU 28 -2.022 7.508 5.701 219 HB3 LEU 28 3HB LEU 28 -1.159 7.352 4.175 220 HG LEU 28 HG LEU 28 -1.068 4.816 5.638 221 HD11 LEU 28 1HD1 LEU 28 -3.744 6.148 5.431 222 HD12 LEU 28 2HD1 LEU 28 -3.682 4.484 4.977 223 HD13 LEU 28 3HD1 LEU 28 -3.141 4.966 6.589 224 HD21 LEU 28 3HD2 LEU 28 -2.398 5.362 2.980 225 HD22 LEU 28 1HD2 LEU 28 -0.623 5.448 3.169 226 HD23 LEU 28 2HD2 LEU 28 -1.447 3.950 3.487 227 H ARG 29 H ARG 29 -0.658 9.368 6.481 228 HA ARG 29 HA ARG 29 0.759 10.882 4.617 229 HB2 ARG 29 2HB ARG 29 -0.253 11.656 7.356 230 HB3 ARG 29 3HB ARG 29 0.620 12.782 6.306 231 HG2 ARG 29 2HG ARG 29 -1.069 12.049 4.461 232 HG3 ARG 29 3HG ARG 29 -2.068 11.499 5.812 233 HD2 ARG 29 2HD ARG 29 -0.891 14.310 5.838 234 HD3 ARG 29 3HD ARG 29 -2.260 13.936 4.792 235 HE ARG 29 HE ARG 29 -3.656 13.807 6.497 236 HH11 ARG 29 2HH2 ARG 29 -0.473 14.013 7.955 237 HH12 ARG 29 1HH2 ARG 29 -1.045 13.932 9.588 238 HH21 ARG 29 2HH1 ARG 29 -4.431 13.448 8.525 239 HH22 ARG 29 1HH1 ARG 29 -3.443 13.634 9.939 240 H SER 30 H SER 30 2.143 9.464 7.581 241 HA SER 30 HA SER 30 4.401 11.277 7.573 242 HB2 SER 30 2HB SER 30 4.023 8.420 8.631 243 HB3 SER 30 3HB SER 30 5.510 9.370 8.869 244 HG SER 30 HG SER 30 2.884 10.057 9.687 245 H GLU 31 H GLU 31 3.716 8.173 5.943 246 HA GLU 31 HA GLU 31 6.407 8.103 4.789 247 HB2 GLU 31 2HB GLU 31 4.123 6.308 5.083 248 HB3 GLU 31 3HB GLU 31 4.578 6.382 3.387 249 HG2 GLU 31 2HG GLU 31 5.796 4.601 4.670 250 HG3 GLU 31 3HG GLU 31 6.850 5.767 3.862 251 H ALA 32 H ALA 32 3.095 8.795 3.628 252 HA ALA 32 HA ALA 32 3.710 9.339 0.950 253 HB1 ALA 32 1HB ALA 32 1.547 10.569 1.011 254 HB2 ALA 32 2HB ALA 32 1.441 9.028 1.867 255 HB3 ALA 32 3HB ALA 32 1.602 10.556 2.768 256 H ALA 33 H ALA 33 4.076 11.368 3.856 257 HA ALA 33 HA ALA 33 4.675 13.802 2.425 258 HB1 ALA 33 1HB ALA 33 5.098 12.966 5.337 259 HB2 ALA 33 2HB ALA 33 5.308 14.618 4.697 260 HB3 ALA 33 3HB ALA 33 3.717 13.863 4.660 261 H LYS 34 H LYS 34 6.543 11.149 2.041 262 HA LYS 34 HA LYS 34 9.054 12.737 2.113 263 HB2 LYS 34 2HB LYS 34 8.287 9.838 1.697 264 HB3 LYS 34 3HB LYS 34 9.653 10.468 0.825 265 HG2 LYS 34 2HG LYS 34 10.374 9.408 2.888 266 HG3 LYS 34 3HG LYS 34 10.774 11.126 2.924 267 HD2 LYS 34 2HD LYS 34 8.137 10.288 4.107 268 HD3 LYS 34 3HD LYS 34 9.594 9.821 4.986 269 HE2 LYS 34 2HE LYS 34 10.254 11.974 5.448 270 HE3 LYS 34 3HE LYS 34 9.404 12.679 4.067 271 HZ1 LYS 34 3HZ LYS 34 7.480 12.751 5.161 272 HZ2 LYS 34 1HZ LYS 34 7.758 11.458 6.128 273 HZ3 LYS 34 2HZ LYS 34 8.464 12.932 6.454 274 H ASN 35 H ASN 35 6.333 11.714 0.067 275 HA ASN 35 HA ASN 35 7.294 13.460 -2.048 276 HB2 ASN 35 2HB ASN 35 8.376 10.965 -2.113 277 HB3 ASN 35 3HB ASN 35 6.859 10.640 -2.932 278 HD21 ASN 35 1HD2 ASN 35 9.560 12.987 -2.786 279 HD22 ASN 35 2HD2 ASN 35 9.653 13.240 -4.531 280 H VAL 36 H VAL 36 5.121 14.031 -0.768 281 HA VAL 36 HA VAL 36 2.963 14.564 -1.031 282 HB VAL 36 HB VAL 36 3.691 13.841 -3.861 283 HG11 VAL 36 1HG1 VAL 36 0.891 14.470 -2.911 284 HG12 VAL 36 2HG1 VAL 36 1.470 14.710 -4.581 285 HG13 VAL 36 3HG1 VAL 36 1.455 13.089 -3.895 286 HG21 VAL 36 3HG2 VAL 36 3.263 16.226 -4.171 287 HG22 VAL 36 1HG2 VAL 36 2.723 16.373 -2.486 288 HG23 VAL 36 2HG2 VAL 36 4.417 15.968 -2.852 289 H ASP 37 H ASP 37 2.952 11.637 -2.978 290 HA ASP 37 HA ASP 37 2.074 9.875 -0.926 291 HB2 ASP 37 2HB ASP 37 -0.095 11.245 -1.424 292 HB3 ASP 37 3HB ASP 37 -0.159 10.355 -2.938 293 H ASN 38 H ASN 38 4.102 10.044 -2.738 294 HA ASN 38 HA ASN 38 3.686 7.812 -4.656 295 HB2 ASN 38 2HB ASN 38 4.397 10.058 -5.610 296 HB3 ASN 38 3HB ASN 38 5.840 9.971 -4.639 297 HD21 ASN 38 1HD2 ASN 38 4.864 9.547 -7.754 298 HD22 ASN 38 2HD2 ASN 38 6.038 8.319 -8.195 299 H TYR 39 H TYR 39 5.627 9.031 -1.962 300 HA TYR 39 HA TYR 39 7.200 6.545 -2.034 301 HB2 TYR 39 2HB TYR 39 7.591 9.204 -0.716 302 HB3 TYR 39 3HB TYR 39 8.165 7.782 0.136 303 HD1 TYR 39 HD1 TYR 39 8.193 8.670 -3.556 304 HD2 TYR 39 HD2 TYR 39 10.458 7.534 -0.054 305 HE1 TYR 39 HE1 TYR 39 10.231 8.584 -4.914 306 HE2 TYR 39 HE2 TYR 39 12.515 7.420 -1.435 307 HH TYR 39 HH TYR 39 12.514 8.021 -4.946 308 H ILE 40 H ILE 40 6.381 4.848 -0.983 309 HA ILE 40 HA ILE 40 5.085 5.250 1.608 310 HB ILE 40 HB ILE 40 3.769 3.492 -0.495 311 HG12 ILE 40 2HG1 ILE 40 2.959 6.325 0.300 312 HG13 ILE 40 3HG1 ILE 40 3.595 5.838 -1.275 313 HG21 ILE 40 1HG2 ILE 40 1.974 3.378 1.138 314 HG22 ILE 40 2HG2 ILE 40 3.476 3.035 1.994 315 HG23 ILE 40 3HG2 ILE 40 2.731 4.639 2.139 316 HD11 ILE 40 3HD1 ILE 40 1.608 4.267 -1.510 317 HD12 ILE 40 1HD1 ILE 40 0.978 5.048 -0.047 318 HD13 ILE 40 2HD1 ILE 40 1.237 6.001 -1.514 319 H SER 41 H SER 41 6.609 4.089 2.818 320 HA SER 41 HA SER 41 8.210 2.057 1.589 321 HB2 SER 41 2HB SER 41 8.036 3.422 4.197 322 HB3 SER 41 3HB SER 41 8.389 1.694 4.356 323 HG SER 41 HG SER 41 9.781 3.581 2.757 324 H ILE 42 H ILE 42 7.990 -0.115 1.546 325 HA ILE 42 HA ILE 42 5.482 -1.313 2.098 326 HB ILE 42 HB ILE 42 6.523 -3.434 1.648 327 HG12 ILE 42 2HG1 ILE 42 9.099 -3.174 0.919 328 HG13 ILE 42 3HG1 ILE 42 9.107 -1.986 2.223 329 HG21 ILE 42 1HG2 ILE 42 5.966 -1.779 -0.142 330 HG22 ILE 42 2HG2 ILE 42 7.663 -1.294 -0.186 331 HG23 ILE 42 3HG2 ILE 42 7.210 -2.957 -0.601 332 HD11 ILE 42 3HD1 ILE 42 8.254 -3.763 3.785 333 HD12 ILE 42 1HD1 ILE 42 8.246 -4.913 2.430 334 HD13 ILE 42 2HD1 ILE 42 9.775 -4.230 3.012 335 H ASP 43 H ASP 43 7.857 -0.337 4.383 336 HA ASP 43 HA ASP 43 7.225 -2.328 6.381 337 HB2 ASP 43 2HB ASP 43 8.390 0.474 6.507 338 HB3 ASP 43 3HB ASP 43 8.086 -0.509 7.949 339 H VAL 44 H VAL 44 5.714 0.820 5.417 340 HA VAL 44 HA VAL 44 3.968 0.960 7.692 341 HB VAL 44 HB VAL 44 4.474 2.384 5.107 342 HG11 VAL 44 1HG1 VAL 44 1.718 2.459 6.346 343 HG12 VAL 44 2HG1 VAL 44 2.371 3.650 5.195 344 HG13 VAL 44 3HG1 VAL 44 2.172 1.972 4.689 345 HG21 VAL 44 3HG2 VAL 44 5.339 3.186 7.263 346 HG22 VAL 44 1HG2 VAL 44 4.203 4.346 6.558 347 HG23 VAL 44 2HG2 VAL 44 3.679 3.313 7.888 348 H ILE 45 H ILE 45 3.832 -0.241 4.361 349 HA ILE 45 HA ILE 45 1.040 -0.913 4.513 350 HB ILE 45 HB ILE 45 3.079 -2.011 2.595 351 HG12 ILE 45 2HG1 ILE 45 1.538 0.589 2.076 352 HG13 ILE 45 3HG1 ILE 45 3.130 0.626 2.799 353 HG21 ILE 45 1HG2 ILE 45 0.141 -1.259 2.112 354 HG22 ILE 45 2HG2 ILE 45 1.207 -2.139 0.998 355 HG23 ILE 45 3HG2 ILE 45 0.686 -2.884 2.515 356 HD11 ILE 45 3HD1 ILE 45 2.425 -0.232 0.016 357 HD12 ILE 45 1HD1 ILE 45 3.607 0.965 0.569 358 HD13 ILE 45 2HD1 ILE 45 3.948 -0.747 0.773 359 H ALA 46 H ALA 46 4.042 -2.743 5.072 360 HA ALA 46 HA ALA 46 2.712 -5.268 5.405 361 HB1 ALA 46 1HB ALA 46 5.321 -4.209 6.615 362 HB2 ALA 46 2HB ALA 46 4.798 -5.906 6.619 363 HB3 ALA 46 3HB ALA 46 5.182 -5.098 5.086 364 H SER 47 H SER 47 3.471 -2.471 7.430 365 HA SER 47 HA SER 47 2.534 -3.805 9.868 366 HB2 SER 47 2HB SER 47 4.557 -2.330 9.687 367 HB3 SER 47 3HB SER 47 3.468 -0.947 9.490 368 HG SER 47 HG SER 47 4.101 -1.255 11.652 369 H PHE 48 H PHE 48 0.778 -2.587 7.372 370 HA PHE 48 HA PHE 48 -1.039 -0.839 8.599 371 HB2 PHE 48 2HB PHE 48 -0.796 -2.311 6.133 372 HB3 PHE 48 3HB PHE 48 -2.454 -2.447 6.662 373 HD1 PHE 48 2HD PHE 48 -2.817 0.318 7.898 374 HD2 PHE 48 1HD PHE 48 -1.059 -1.098 4.215 375 HE1 PHE 48 2HE PHE 48 -3.428 2.440 6.769 376 HE2 PHE 48 1HE PHE 48 -1.648 1.028 3.107 377 HZ PHE 48 HZ PHE 48 -2.874 2.734 4.356 378 H ASN 49 H ASN 49 -0.571 -3.881 9.748 379 HA ASN 49 HA ASN 49 -1.639 -5.184 11.198 380 HB2 ASN 49 2HB ASN 49 -2.576 -2.755 11.829 381 HB3 ASN 49 3HB ASN 49 -4.114 -3.493 11.376 382 HD21 ASN 49 1HD2 ASN 49 -2.753 -2.703 14.080 383 HD22 ASN 49 2HD2 ASN 49 -2.934 -4.172 15.021 384 H ARG 50 H ARG 50 -4.465 -3.968 9.341 385 HA ARG 50 HA ARG 50 -5.619 -6.528 8.852 386 HB2 ARG 50 2HB ARG 50 -6.227 -3.843 8.195 387 HB3 ARG 50 3HB ARG 50 -5.999 -4.640 6.633 388 HG2 ARG 50 2HG ARG 50 -7.596 -6.463 7.500 389 HG3 ARG 50 3HG ARG 50 -7.935 -5.363 8.858 390 HD2 ARG 50 2HD ARG 50 -8.340 -3.557 7.051 391 HD3 ARG 50 3HD ARG 50 -8.397 -4.877 5.882 392 HE ARG 50 HE ARG 50 -10.447 -3.991 7.629 393 HH11 ARG 50 2HH2 ARG 50 -9.211 -6.951 6.209 394 HH12 ARG 50 1HH2 ARG 50 -10.689 -7.840 6.320 395 HH21 ARG 50 2HH1 ARG 50 -12.460 -5.107 7.751 396 HH22 ARG 50 1HH1 ARG 50 -12.589 -6.740 7.210 397 H MET 51 H MET 51 -3.148 -4.708 7.069 398 HA MET 51 HA MET 51 -2.884 -6.507 4.853 399 HB2 MET 51 2HB MET 51 -0.959 -4.576 6.182 400 HB3 MET 51 3HB MET 51 -0.512 -5.540 4.767 401 HG2 MET 51 2HG MET 51 -2.916 -3.679 4.823 402 HG3 MET 51 3HG MET 51 -1.322 -3.245 4.195 403 HE1 MET 51 3HE MET 51 -4.505 -3.602 2.603 404 HE2 MET 51 1HE MET 51 -4.603 -5.220 1.910 405 HE3 MET 51 2HE MET 51 -4.606 -5.022 3.680 406 H LYS 52 H LYS 52 -0.929 -6.294 7.922 407 HA LYS 52 HA LYS 52 0.674 -8.515 7.412 408 HB2 LYS 52 2HB LYS 52 0.895 -6.878 9.343 409 HB3 LYS 52 3HB LYS 52 -0.490 -7.662 10.108 410 HG2 LYS 52 2HG LYS 52 0.844 -9.842 10.060 411 HG3 LYS 52 3HG LYS 52 2.235 -8.889 9.509 412 HD2 LYS 52 2HD LYS 52 2.106 -7.530 11.574 413 HD3 LYS 52 3HD LYS 52 0.647 -8.411 12.071 414 HE2 LYS 52 2HE LYS 52 2.607 -10.386 11.428 415 HE3 LYS 52 3HE LYS 52 3.461 -9.156 12.366 416 HZ1 LYS 52 3HZ LYS 52 2.506 -10.848 13.773 417 HZ2 LYS 52 1HZ LYS 52 1.778 -9.406 14.085 418 HZ3 LYS 52 2HZ LYS 52 0.995 -10.555 13.198 419 H THR 53 H THR 53 -2.589 -8.418 8.775 420 HA THR 53 HA THR 53 -2.624 -11.233 9.424 421 HB THR 53 HB THR 53 -5.071 -10.849 9.781 422 HG1 THR 53 1HG THR 53 -4.444 -8.220 8.957 423 HG21 THR 53 1HG2 THR 53 -3.128 -8.823 10.964 424 HG22 THR 53 2HG2 THR 53 -4.722 -9.227 11.638 425 HG23 THR 53 3HG2 THR 53 -3.442 -10.461 11.559 426 H ILE 54 H ILE 54 -4.008 -9.350 6.659 427 HA ILE 54 HA ILE 54 -5.201 -11.718 5.529 428 HB ILE 54 HB ILE 54 -4.498 -9.038 4.284 429 HG12 ILE 54 2HG1 ILE 54 -7.249 -10.024 5.153 430 HG13 ILE 54 3HG1 ILE 54 -6.202 -9.121 6.234 431 HG21 ILE 54 1HG2 ILE 54 -6.335 -11.256 3.246 432 HG22 ILE 54 2HG2 ILE 54 -6.191 -9.647 2.517 433 HG23 ILE 54 3HG2 ILE 54 -4.815 -10.739 2.498 434 HD11 ILE 54 3HD1 ILE 54 -7.381 -8.140 3.609 435 HD12 ILE 54 1HD1 ILE 54 -7.634 -7.509 5.238 436 HD13 ILE 54 2HD1 ILE 54 -6.064 -7.291 4.456 437 H SER 55 H SER 55 -1.996 -10.257 5.273 438 HA SER 55 HA SER 55 -1.289 -11.911 2.941 439 HB2 SER 55 2HB SER 55 0.835 -10.844 3.039 440 HB3 SER 55 3HB SER 55 -0.319 -9.565 3.423 441 HG SER 55 HG SER 55 1.691 -9.964 4.744 442 H THR 56 H THR 56 -0.752 -11.775 6.392 443 HA THR 56 HA THR 56 0.179 -13.124 7.888 444 HB THR 56 HB THR 56 -0.634 -15.164 5.805 445 HG1 THR 56 1HG THR 56 -2.158 -13.914 7.081 446 HG21 THR 56 1HG2 THR 56 0.476 -15.725 8.591 447 HG22 THR 56 2HG2 THR 56 -0.470 -16.881 7.626 448 HG23 THR 56 3HG2 THR 56 1.110 -16.340 7.040 449 H ASP 57 H ASP 57 1.766 -12.174 5.128 450 HA ASP 57 HA ASP 57 4.358 -12.880 6.152 451 HB2 ASP 57 2HB ASP 57 3.629 -14.960 4.922 452 HB3 ASP 57 3HB ASP 57 3.427 -13.983 3.462 453 H LEU 58 H LEU 58 5.881 -11.544 5.161 454 HA LEU 58 HA LEU 58 4.953 -9.079 3.895 455 HB2 LEU 58 2HB LEU 58 7.779 -10.119 4.413 456 HB3 LEU 58 3HB LEU 58 7.371 -8.550 3.727 457 HG LEU 58 HG LEU 58 5.950 -8.207 5.904 458 HD11 LEU 58 1HD1 LEU 58 7.943 -10.343 6.797 459 HD12 LEU 58 2HD1 LEU 58 7.078 -9.254 7.898 460 HD13 LEU 58 3HD1 LEU 58 6.170 -10.415 6.935 461 HD21 LEU 58 3HD2 LEU 58 7.927 -6.882 5.266 462 HD22 LEU 58 1HD2 LEU 58 7.950 -7.227 6.999 463 HD23 LEU 58 2HD2 LEU 58 9.000 -8.149 5.901 464 H GLN 59 H GLN 59 5.968 -12.181 2.833 465 HA GLN 59 HA GLN 59 6.974 -11.530 0.247 466 HB2 GLN 59 2HB GLN 59 7.239 -13.719 1.432 467 HB3 GLN 59 3HB GLN 59 5.506 -14.010 1.231 468 HG2 GLN 59 2HG GLN 59 6.785 -15.230 -0.471 469 HG3 GLN 59 3HG GLN 59 5.757 -14.015 -1.230 470 HE21 GLN 59 1HE2 GLN 59 6.750 -12.461 -2.583 471 HE22 GLN 59 2HE2 GLN 59 8.506 -12.352 -2.714 472 H LEU 60 H LEU 60 3.712 -12.570 1.394 473 HA LEU 60 HA LEU 60 2.433 -12.166 -1.149 474 HB2 LEU 60 2HB LEU 60 1.671 -12.924 1.606 475 HB3 LEU 60 3HB LEU 60 0.507 -11.814 0.909 476 HG LEU 60 HG LEU 60 1.418 -14.397 -0.422 477 HD11 LEU 60 1HD1 LEU 60 -0.810 -15.243 0.229 478 HD12 LEU 60 2HD1 LEU 60 0.131 -14.783 1.656 479 HD13 LEU 60 3HD1 LEU 60 -1.156 -13.713 1.069 480 HD21 LEU 60 3HD2 LEU 60 0.640 -12.846 -2.129 481 HD22 LEU 60 1HD2 LEU 60 -0.671 -13.983 -1.816 482 HD23 LEU 60 2HD2 LEU 60 -0.737 -12.347 -1.123 483 H ILE 61 H ILE 61 3.151 -10.031 1.579 484 HA ILE 61 HA ILE 61 1.396 -7.952 0.603 485 HB ILE 61 HB ILE 61 2.879 -8.387 2.929 486 HG12 ILE 61 2HG1 ILE 61 0.642 -7.435 2.708 487 HG13 ILE 61 3HG1 ILE 61 1.669 -6.497 3.783 488 HG21 ILE 61 1HG2 ILE 61 3.950 -5.823 1.673 489 HG22 ILE 61 2HG2 ILE 61 4.077 -6.293 3.375 490 HG23 ILE 61 3HG2 ILE 61 4.889 -7.246 2.138 491 HD11 ILE 61 3HD1 ILE 61 0.292 -5.083 2.290 492 HD12 ILE 61 1HD1 ILE 61 2.018 -4.792 2.052 493 HD13 ILE 61 2HD1 ILE 61 1.096 -5.757 0.873 494 H THR 62 H THR 62 4.754 -8.856 -0.007 495 HA THR 62 HA THR 62 5.349 -6.378 -1.447 496 HB THR 62 HB THR 62 6.823 -9.042 -1.305 497 HG1 THR 62 1HG THR 62 6.808 -7.940 0.624 498 HG21 THR 62 1HG2 THR 62 7.715 -6.342 -2.423 499 HG22 THR 62 2HG2 THR 62 8.775 -7.738 -2.137 500 HG23 THR 62 3HG2 THR 62 7.496 -7.840 -3.362 501 H GLU 63 H GLU 63 4.307 -9.704 -2.306 502 HA GLU 63 HA GLU 63 4.510 -9.164 -5.140 503 HB2 GLU 63 2HB GLU 63 4.547 -11.470 -4.230 504 HB3 GLU 63 3HB GLU 63 2.845 -11.303 -3.737 505 HG2 GLU 63 2HG GLU 63 2.171 -10.911 -6.074 506 HG3 GLU 63 3HG GLU 63 3.860 -10.906 -6.595 507 H ALA 64 H ALA 64 1.971 -8.773 -2.703 508 HA ALA 64 HA ALA 64 -0.207 -8.242 -4.448 509 HB1 ALA 64 1HB ALA 64 0.442 -6.880 -1.799 510 HB2 ALA 64 2HB ALA 64 -1.136 -6.918 -2.611 511 HB3 ALA 64 3HB ALA 64 -0.413 -8.427 -2.000 512 H LEU 65 H LEU 65 2.309 -6.002 -3.166 513 HA LEU 65 HA LEU 65 1.357 -3.693 -4.587 514 HB2 LEU 65 2HB LEU 65 4.037 -4.512 -3.404 515 HB3 LEU 65 3HB LEU 65 3.809 -2.972 -4.219 516 HG LEU 65 HG LEU 65 2.095 -3.853 -1.864 517 HD11 LEU 65 1HD1 LEU 65 3.483 -2.523 -0.461 518 HD12 LEU 65 2HD1 LEU 65 4.570 -3.596 -1.339 519 HD13 LEU 65 3HD1 LEU 65 4.423 -1.889 -1.840 520 HD21 LEU 65 3HD2 LEU 65 1.022 -2.099 -3.213 521 HD22 LEU 65 1HD2 LEU 65 1.679 -1.353 -1.758 522 HD23 LEU 65 2HD2 LEU 65 2.550 -1.194 -3.296 523 H LYS 66 H LYS 66 3.729 -6.231 -5.372 524 HA LYS 66 HA LYS 66 4.620 -5.103 -7.841 525 HB2 LYS 66 2HB LYS 66 5.666 -7.015 -6.513 526 HB3 LYS 66 3HB LYS 66 4.420 -8.067 -7.213 527 HG2 LYS 66 2HG LYS 66 5.207 -7.409 -9.502 528 HG3 LYS 66 3HG LYS 66 6.472 -6.413 -8.754 529 HD2 LYS 66 2HD LYS 66 7.429 -8.439 -7.694 530 HD3 LYS 66 3HD LYS 66 6.125 -9.423 -8.408 531 HE2 LYS 66 2HE LYS 66 6.849 -8.619 -10.685 532 HE3 LYS 66 3HE LYS 66 8.217 -7.794 -9.924 533 HZ1 LYS 66 3HZ LYS 66 7.712 -10.704 -9.850 534 HZ2 LYS 66 1HZ LYS 66 8.841 -9.947 -10.778 535 HZ3 LYS 66 2HZ LYS 66 8.989 -9.941 -9.140 536 H LYS 67 H LYS 67 1.685 -6.852 -7.038 537 HA LYS 67 HA LYS 67 0.882 -6.851 -9.917 538 HB2 LYS 67 2HB LYS 67 -0.158 -8.455 -7.529 539 HB3 LYS 67 3HB LYS 67 -0.840 -8.492 -9.164 540 HG2 LYS 67 2HG LYS 67 1.392 -9.249 -10.035 541 HG3 LYS 67 3HG LYS 67 1.955 -9.389 -8.355 542 HD2 LYS 67 2HD LYS 67 0.152 -11.005 -7.869 543 HD3 LYS 67 3HD LYS 67 -0.461 -10.837 -9.533 544 HE2 LYS 67 2HE LYS 67 1.708 -11.648 -10.421 545 HE3 LYS 67 3HE LYS 67 2.325 -11.792 -8.758 546 HZ1 LYS 67 3HZ LYS 67 1.574 -13.890 -9.599 547 HZ2 LYS 67 1HZ LYS 67 0.785 -13.423 -8.274 548 HZ3 LYS 67 2HZ LYS 67 0.015 -13.326 -9.755 549 H SER 68 H SER 68 0.921 -4.330 -8.535 550 HA SER 68 HA SER 68 -1.472 -3.842 -7.209 551 HB2 SER 68 2HB SER 68 -0.985 -1.434 -7.885 552 HB3 SER 68 3HB SER 68 0.255 -2.261 -6.970 553 HG SER 68 HG SER 68 0.324 -1.307 -9.527 554 H THR 69 H THR 69 -3.217 -2.381 -7.952 555 HA THR 69 HA THR 69 -4.138 -3.037 -10.712 556 HB THR 69 HB THR 69 -5.340 -4.328 -9.063 557 HG1 THR 69 1HG THR 69 -7.271 -3.873 -9.860 558 HG21 THR 69 1HG2 THR 69 -5.194 -2.487 -7.124 559 HG22 THR 69 2HG2 THR 69 -6.692 -1.908 -7.847 560 HG23 THR 69 3HG2 THR 69 -6.583 -3.553 -7.209 561 H ARG 70 H ARG 70 -4.716 -0.745 -8.011 562 HA ARG 70 HA ARG 70 -5.078 1.417 -10.006 563 HB2 ARG 70 2HB ARG 70 -6.202 0.761 -7.283 564 HB3 ARG 70 3HB ARG 70 -6.306 2.412 -7.911 565 HG2 ARG 70 2HG ARG 70 -7.128 0.313 -9.868 566 HG3 ARG 70 3HG ARG 70 -8.138 0.371 -8.425 567 HD2 ARG 70 2HD ARG 70 -8.503 2.763 -8.701 568 HD3 ARG 70 3HD ARG 70 -7.407 2.836 -10.069 569 HE ARG 70 HE ARG 70 -10.152 1.822 -9.972 570 HH11 ARG 70 2HH2 ARG 70 -7.131 1.575 -11.745 571 HH12 ARG 70 1HH2 ARG 70 -7.834 1.433 -13.316 572 HH21 ARG 70 2HH1 ARG 70 -11.162 1.777 -12.059 573 HH22 ARG 70 1HH1 ARG 70 -10.226 1.538 -13.497 574 H LEU 71 H LEU 71 -2.550 0.293 -8.137 575 HA LEU 71 HA LEU 71 -1.526 3.011 -7.818 576 HB2 LEU 71 2HB LEU 71 -0.374 1.028 -5.961 577 HB3 LEU 71 3HB LEU 71 -0.844 2.685 -5.724 578 HG LEU 71 HG LEU 71 -2.701 0.286 -5.560 579 HD11 LEU 71 1HD1 LEU 71 -2.765 0.836 -3.184 580 HD12 LEU 71 2HD1 LEU 71 -1.117 0.434 -3.702 581 HD13 LEU 71 3HD1 LEU 71 -1.576 2.133 -3.420 582 HD21 LEU 71 3HD2 LEU 71 -4.037 2.327 -4.299 583 HD22 LEU 71 1HD2 LEU 71 -3.269 3.220 -5.610 584 HD23 LEU 71 2HD2 LEU 71 -4.323 1.839 -5.957 585 H GLN 72 H GLN 72 1.047 2.617 -7.656 586 HA GLN 72 HA GLN 72 1.892 0.406 -9.388 587 HB2 GLN 72 2HB GLN 72 1.837 3.315 -10.098 588 HB3 GLN 72 3HB GLN 72 3.405 2.544 -10.337 589 HG2 GLN 72 2HG GLN 72 0.797 1.457 -11.471 590 HG3 GLN 72 3HG GLN 72 1.943 2.479 -12.354 591 HE21 GLN 72 1HE2 GLN 72 2.053 0.557 -13.897 592 HE22 GLN 72 2HE2 GLN 72 3.168 -0.723 -13.435 593 H VAL 73 H VAL 73 3.691 -0.432 -8.581 594 HA VAL 73 HA VAL 73 4.992 0.925 -6.285 595 HB VAL 73 HB VAL 73 4.066 -1.316 -5.886 596 HG11 VAL 73 1HG1 VAL 73 6.091 -2.295 -7.946 597 HG12 VAL 73 2HG1 VAL 73 5.169 -3.305 -6.827 598 HG13 VAL 73 3HG1 VAL 73 4.316 -2.382 -8.077 599 HG21 VAL 73 3HG2 VAL 73 7.100 -1.287 -5.804 600 HG22 VAL 73 1HG2 VAL 73 6.026 -0.593 -4.580 601 HG23 VAL 73 2HG2 VAL 73 6.043 -2.339 -4.853 602 H SER 74 H SER 74 7.178 1.409 -6.388 603 HA SER 74 HA SER 74 8.402 1.630 -9.002 604 HB2 SER 74 2HB SER 74 8.939 3.154 -7.111 605 HB3 SER 74 3HB SER 74 9.694 1.773 -6.262 606 HG SER 74 HG SER 74 11.132 3.170 -7.513 607 H GLU 75 H GLU 75 10.463 0.621 -9.554 608 HA GLU 75 HA GLU 75 10.321 -2.250 -9.357 609 HB2 GLU 75 2HB GLU 75 11.312 -0.652 -11.192 610 HB3 GLU 75 3HB GLU 75 12.788 -0.720 -10.215 611 HG2 GLU 75 2HG GLU 75 12.746 -3.214 -10.390 612 HG3 GLU 75 3HG GLU 75 11.248 -3.118 -11.325 613 H ASP 76 H ASP 76 11.453 0.185 -7.155 614 HA ASP 76 HA ASP 76 13.580 -1.466 -5.986 615 HB2 ASP 76 2HB ASP 76 13.612 1.057 -6.118 616 HB3 ASP 76 3HB ASP 76 12.254 1.083 -4.989 617 H GLY 77 H GLY 77 10.103 -1.207 -5.795 618 HA2 GLY 77 2HA GLY 77 8.576 -2.170 -4.325 619 HA3 GLY 77 3HA GLY 77 9.875 -3.300 -3.908 620 H LYS 78 H LYS 78 10.195 0.144 -3.424 621 HA LYS 78 HA LYS 78 9.542 -0.087 -0.511 622 HB2 LYS 78 2HB LYS 78 11.933 1.020 -1.921 623 HB3 LYS 78 3HB LYS 78 11.400 1.821 -0.439 624 HG2 LYS 78 2HG LYS 78 11.572 -0.183 0.850 625 HG3 LYS 78 3HG LYS 78 11.871 -1.181 -0.592 626 HD2 LYS 78 2HD LYS 78 13.995 -0.166 -0.987 627 HD3 LYS 78 3HD LYS 78 13.690 1.124 0.203 628 HE2 LYS 78 2HE LYS 78 13.656 -0.490 2.027 629 HE3 LYS 78 3HE LYS 78 13.795 -1.840 0.887 630 HZ1 LYS 78 3HZ LYS 78 15.834 0.259 1.282 631 HZ2 LYS 78 1HZ LYS 78 15.924 -1.277 1.877 632 HZ3 LYS 78 2HZ LYS 78 15.953 -1.014 0.247 633 H MET 79 H MET 79 8.433 1.232 -3.391 634 HA MET 79 HA MET 79 6.991 3.197 -1.835 635 HB2 MET 79 2HB MET 79 7.632 5.101 -3.409 636 HB3 MET 79 3HB MET 79 8.980 4.553 -2.410 637 HG2 MET 79 2HG MET 79 9.202 2.948 -4.649 638 HG3 MET 79 3HG MET 79 8.517 4.414 -5.335 639 HE1 MET 79 3HE MET 79 11.458 2.674 -3.526 640 HE2 MET 79 1HE MET 79 12.650 3.962 -3.281 641 HE3 MET 79 2HE MET 79 11.159 3.942 -2.317 642 H VAL 80 H VAL 80 5.215 4.284 -3.047 643 HA VAL 80 HA VAL 80 4.259 2.682 -5.268 644 HB VAL 80 HB VAL 80 2.574 2.762 -2.754 645 HG11 VAL 80 1HG1 VAL 80 1.579 2.204 -4.971 646 HG12 VAL 80 2HG1 VAL 80 2.688 0.822 -5.096 647 HG13 VAL 80 3HG1 VAL 80 1.460 0.876 -3.809 648 HG21 VAL 80 3HG2 VAL 80 3.261 0.538 -2.116 649 HG22 VAL 80 1HG2 VAL 80 4.513 0.534 -3.383 650 HG23 VAL 80 2HG2 VAL 80 4.610 1.645 -1.988 651 H ARG 81 H ARG 81 2.831 3.905 -6.422 652 HA ARG 81 HA ARG 81 1.893 6.473 -5.173 653 HB2 ARG 81 2HB ARG 81 3.723 6.840 -6.772 654 HB3 ARG 81 3HB ARG 81 2.880 5.912 -8.006 655 HG2 ARG 81 2HG ARG 81 2.793 8.383 -8.328 656 HG3 ARG 81 3HG ARG 81 1.229 7.603 -8.307 657 HD2 ARG 81 2HD ARG 81 0.848 8.377 -5.974 658 HD3 ARG 81 3HD ARG 81 2.480 9.017 -5.920 659 HE ARG 81 HE ARG 81 1.756 10.902 -6.955 660 HH11 ARG 81 2HH2 ARG 81 -0.632 8.393 -7.831 661 HH12 ARG 81 1HH2 ARG 81 -1.759 9.523 -8.478 662 HH21 ARG 81 2HH1 ARG 81 0.334 12.344 -8.109 663 HH22 ARG 81 1HH1 ARG 81 -1.047 11.673 -8.890 664 H ARG 82 H ARG 82 -0.306 6.852 -5.392 665 HA ARG 82 HA ARG 82 -2.023 4.766 -6.386 666 HB2 ARG 82 2HB ARG 82 -2.616 7.736 -6.051 667 HB3 ARG 82 3HB ARG 82 -3.825 6.457 -6.156 668 HG2 ARG 82 2HG ARG 82 -3.770 6.161 -3.971 669 HG3 ARG 82 3HG ARG 82 -2.076 5.679 -4.039 670 HD2 ARG 82 2HD ARG 82 -2.430 7.496 -2.502 671 HD3 ARG 82 3HD ARG 82 -1.364 8.026 -3.802 672 HE ARG 82 HE ARG 82 -3.054 9.395 -4.708 673 HH11 ARG 82 2HH2 ARG 82 -3.836 8.392 -1.519 674 HH12 ARG 82 1HH2 ARG 82 -5.602 8.470 -1.662 675 HH21 ARG 82 2HH1 ARG 82 -5.244 10.222 -4.790 676 HH22 ARG 82 1HH1 ARG 82 -6.284 10.016 -3.421 677 H LEU 83 H LEU 83 -3.836 5.561 -8.113 678 HA LEU 83 HA LEU 83 -2.420 6.497 -10.505 679 HB2 LEU 83 2HB LEU 83 -5.070 5.301 -9.820 680 HB3 LEU 83 3HB LEU 83 -5.149 6.503 -11.091 681 HG LEU 83 HG LEU 83 -3.138 4.218 -11.138 682 HD11 LEU 83 1HD1 LEU 83 -5.428 3.324 -11.100 683 HD12 LEU 83 2HD1 LEU 83 -5.888 4.384 -12.449 684 HD13 LEU 83 3HD1 LEU 83 -4.684 3.092 -12.695 685 HD21 LEU 83 3HD2 LEU 83 -3.063 4.744 -13.559 686 HD22 LEU 83 1HD2 LEU 83 -4.233 6.057 -13.327 687 HD23 LEU 83 2HD2 LEU 83 -2.608 6.165 -12.617 688 H ASP 84 H ASP 84 -3.686 8.317 -11.698 689 HA ASP 84 HA ASP 84 -3.900 10.637 -9.900 690 HB2 ASP 84 2HB ASP 84 -3.481 10.209 -12.837 691 HB3 ASP 84 3HB ASP 84 -4.376 11.655 -12.364 692 HA PRO 85 HA PRO 85 -8.376 10.584 -11.442 693 HB2 PRO 85 2HB PRO 85 -9.435 8.251 -12.464 694 HB3 PRO 85 3HB PRO 85 -8.747 9.557 -13.482 695 HG2 PRO 85 2HG PRO 85 -7.361 7.045 -12.497 696 HG3 PRO 85 3HG PRO 85 -7.422 7.685 -14.173 697 HD2 PRO 85 2HD PRO 85 -5.305 8.164 -12.612 698 HD3 PRO 85 3HD PRO 85 -5.951 9.481 -13.623 699 H LEU 86 H LEU 86 -10.205 9.694 -10.214 700 HA LEU 86 HA LEU 86 -9.291 8.900 -7.657 701 HB2 LEU 86 2HB LEU 86 -11.655 8.797 -7.026 702 HB3 LEU 86 3HB LEU 86 -11.276 10.273 -7.889 703 HG LEU 86 HG LEU 86 -12.250 8.114 -9.687 704 HD11 LEU 86 1HD1 LEU 86 -14.108 9.206 -7.529 705 HD12 LEU 86 2HD1 LEU 86 -14.579 8.212 -8.932 706 HD13 LEU 86 3HD1 LEU 86 -13.550 7.519 -7.677 707 HD21 LEU 86 3HD2 LEU 86 -13.246 10.939 -9.119 708 HD22 LEU 86 1HD2 LEU 86 -12.043 10.510 -10.355 709 HD23 LEU 86 2HD2 LEU 86 -13.702 9.910 -10.492 710 HA PRO 87 HA PRO 87 -9.315 4.522 -7.989 711 HB2 PRO 87 2HB PRO 87 -9.808 3.770 -5.380 712 HB3 PRO 87 3HB PRO 87 -8.237 4.393 -5.975 713 HG2 PRO 87 2HG PRO 87 -10.390 5.879 -4.470 714 HG3 PRO 87 3HG PRO 87 -8.600 5.975 -4.316 715 HD2 PRO 87 2HD PRO 87 -10.114 7.797 -5.726 716 HD3 PRO 87 3HD PRO 87 -8.415 7.404 -6.133 717 H GLU 88 H GLU 88 -10.758 2.664 -7.946 718 HA GLU 88 HA GLU 88 -13.523 2.857 -7.371 719 HB2 GLU 88 2HB GLU 88 -12.701 4.253 -9.810 720 HB3 GLU 88 3HB GLU 88 -13.688 2.856 -10.233 721 HG2 GLU 88 2HG GLU 88 -15.441 3.578 -8.646 722 HG3 GLU 88 3HG GLU 88 -14.496 5.011 -8.234 723 H ASN 89 H ASN 89 -14.688 1.022 -8.476 724 HA ASN 89 HA ASN 89 -14.941 -1.187 -8.742 725 HB2 ASN 89 2HB ASN 89 -12.223 -1.247 -10.059 726 HB3 ASN 89 3HB ASN 89 -13.434 -2.521 -10.068 727 HD21 ASN 89 1HD2 ASN 89 -12.422 -1.409 -12.524 728 HD22 ASN 89 2HD2 ASN 89 -13.795 -0.586 -13.266 729 H ILE 90 H ILE 90 -14.330 -0.538 -6.246 730 HA ILE 90 HA ILE 90 -12.618 -2.760 -5.482 731 HB ILE 90 HB ILE 90 -11.218 -0.816 -5.400 732 HG12 ILE 90 2HG1 ILE 90 -11.325 -2.603 -3.467 733 HG13 ILE 90 3HG1 ILE 90 -10.197 -1.270 -3.437 734 HG21 ILE 90 1HG2 ILE 90 -11.672 1.123 -3.906 735 HG22 ILE 90 2HG2 ILE 90 -12.781 1.007 -5.266 736 HG23 ILE 90 3HG2 ILE 90 -13.325 0.514 -3.649 737 HD11 ILE 90 3HD1 ILE 90 -11.422 -0.071 -1.806 738 HD12 ILE 90 1HD1 ILE 90 -12.877 -1.066 -2.015 739 HD13 ILE 90 2HD1 ILE 90 -11.436 -1.769 -1.279 740 H ASP 91 H ASP 91 -13.128 -3.380 -3.069 741 HA ASP 91 HA ASP 91 -15.976 -3.014 -2.467 742 HB2 ASP 91 2HB ASP 91 -16.030 -5.456 -2.080 743 HB3 ASP 91 3HB ASP 91 -15.703 -5.077 -3.768 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -7.875 -18.087 -3.193 2 H2 MET 1 H2 MET 1 -7.944 -18.997 -1.873 3 H3 MET 1 H3 MET 1 -6.679 -17.941 -2.064 4 HA MET 1 HA MET 1 -6.006 -20.237 -2.483 5 HB2 MET 1 2HB MET 1 -6.910 -21.381 -4.453 6 HB3 MET 1 3HB MET 1 -8.173 -21.018 -3.274 7 HG2 MET 1 2HG MET 1 -8.135 -18.768 -4.974 8 HG3 MET 1 3HG MET 1 -7.892 -20.116 -6.061 9 HE1 MET 1 1HE MET 1 -9.654 -22.349 -5.872 10 HE2 MET 1 2HE MET 1 -11.251 -21.740 -6.377 11 HE3 MET 1 3HE MET 1 -9.784 -21.169 -7.205 12 H SER 2 H SER 2 -4.180 -18.534 -2.644 13 HA SER 2 HA SER 2 -2.523 -17.594 -3.768 14 HB2 SER 2 2HB SER 2 -3.073 -19.811 -5.399 15 HB3 SER 2 3HB SER 2 -2.973 -18.438 -6.518 16 HG SER 2 HG SER 2 -0.916 -19.239 -6.132 17 H GLU 3 H GLU 3 -4.908 -17.484 -6.506 18 HA GLU 3 HA GLU 3 -4.466 -14.676 -6.863 19 HB2 GLU 3 2HB GLU 3 -5.939 -16.756 -8.201 20 HB3 GLU 3 3HB GLU 3 -7.088 -15.455 -7.830 21 HG2 GLU 3 2HG GLU 3 -5.477 -13.796 -8.784 22 HG3 GLU 3 3HG GLU 3 -4.390 -15.125 -9.215 23 H GLU 4 H GLU 4 -7.338 -16.288 -5.264 24 HA GLU 4 HA GLU 4 -8.432 -13.808 -4.494 25 HB2 GLU 4 2HB GLU 4 -8.312 -16.222 -2.693 26 HB3 GLU 4 3HB GLU 4 -9.466 -14.903 -2.578 27 HG2 GLU 4 2HG GLU 4 -10.551 -15.538 -4.647 28 HG3 GLU 4 3HG GLU 4 -9.332 -16.795 -4.956 29 H THR 5 H THR 5 -5.544 -15.411 -3.154 30 HA THR 5 HA THR 5 -5.687 -13.950 -0.662 31 HB THR 5 HB THR 5 -3.318 -15.407 -1.899 32 HG1 THR 5 1HG THR 5 -5.204 -16.582 -0.185 33 HG21 THR 5 1HG2 THR 5 -2.845 -14.113 0.163 34 HG22 THR 5 2HG2 THR 5 -4.150 -14.959 1.009 35 HG23 THR 5 3HG2 THR 5 -2.713 -15.855 0.459 36 H SER 6 H SER 6 -3.575 -13.797 -3.562 37 HA SER 6 HA SER 6 -2.183 -11.439 -2.862 38 HB2 SER 6 2HB SER 6 -1.707 -13.102 -4.739 39 HB3 SER 6 3HB SER 6 -3.001 -12.314 -5.661 40 HG SER 6 HG SER 6 -0.470 -11.607 -5.332 41 H THR 7 H THR 7 -5.121 -11.950 -4.759 42 HA THR 7 HA THR 7 -5.702 -9.252 -5.239 43 HB THR 7 HB THR 7 -7.484 -11.701 -5.365 44 HG1 THR 7 1HG THR 7 -6.079 -10.312 -7.409 45 HG21 THR 7 1HG2 THR 7 -7.864 -8.927 -6.558 46 HG22 THR 7 2HG2 THR 7 -8.738 -10.382 -7.098 47 HG23 THR 7 3HG2 THR 7 -8.945 -9.802 -5.442 48 H GLN 8 H GLN 8 -6.577 -11.221 -2.442 49 HA GLN 8 HA GLN 8 -8.574 -9.402 -1.372 50 HB2 GLN 8 2HB GLN 8 -6.677 -11.472 -0.248 51 HB3 GLN 8 3HB GLN 8 -7.390 -10.329 0.855 52 HG2 GLN 8 2HG GLN 8 -9.204 -11.793 -1.077 53 HG3 GLN 8 3HG GLN 8 -8.561 -12.650 0.332 54 HE21 GLN 8 1HE2 GLN 8 -11.108 -12.701 0.568 55 HE22 GLN 8 2HE2 GLN 8 -11.723 -11.403 1.586 56 H ILE 9 H ILE 9 -5.035 -9.582 -1.334 57 HA ILE 9 HA ILE 9 -4.859 -7.385 0.575 58 HB ILE 9 HB ILE 9 -2.679 -8.622 -1.142 59 HG12 ILE 9 2HG1 ILE 9 -3.057 -9.435 1.743 60 HG13 ILE 9 3HG1 ILE 9 -4.054 -10.224 0.528 61 HG21 ILE 9 1HG2 ILE 9 -2.560 -7.171 1.525 62 HG22 ILE 9 2HG2 ILE 9 -1.162 -7.834 0.658 63 HG23 ILE 9 3HG2 ILE 9 -2.061 -6.478 -0.031 64 HD11 ILE 9 3HD1 ILE 9 -2.037 -10.763 -0.800 65 HD12 ILE 9 1HD1 ILE 9 -1.030 -10.091 0.494 66 HD13 ILE 9 2HD1 ILE 9 -2.048 -11.532 0.787 67 H LEU 10 H LEU 10 -4.739 -7.925 -2.868 68 HA LEU 10 HA LEU 10 -3.536 -5.534 -3.774 69 HB2 LEU 10 2HB LEU 10 -4.134 -7.881 -4.799 70 HB3 LEU 10 3HB LEU 10 -5.629 -7.096 -5.309 71 HG LEU 10 HG LEU 10 -2.923 -5.900 -5.970 72 HD11 LEU 10 1HD1 LEU 10 -4.274 -8.338 -7.230 73 HD12 LEU 10 2HD1 LEU 10 -3.016 -7.406 -8.044 74 HD13 LEU 10 3HD1 LEU 10 -2.643 -8.246 -6.528 75 HD21 LEU 10 3HD2 LEU 10 -5.473 -6.160 -7.620 76 HD22 LEU 10 1HD2 LEU 10 -5.204 -4.850 -6.459 77 HD23 LEU 10 2HD2 LEU 10 -4.107 -5.046 -7.860 78 H LYS 11 H LYS 11 -6.934 -6.525 -3.404 79 HA LYS 11 HA LYS 11 -8.033 -3.906 -3.976 80 HB2 LYS 11 2HB LYS 11 -9.119 -6.417 -2.643 81 HB3 LYS 11 3HB LYS 11 -10.103 -4.979 -2.941 82 HG2 LYS 11 2HG LYS 11 -9.925 -5.185 -5.316 83 HG3 LYS 11 3HG LYS 11 -8.477 -6.170 -5.215 84 HD2 LYS 11 2HD LYS 11 -10.060 -7.699 -5.878 85 HD3 LYS 11 3HD LYS 11 -9.856 -7.997 -4.152 86 HE2 LYS 11 2HE LYS 11 -12.221 -8.099 -4.638 87 HE3 LYS 11 3HE LYS 11 -11.914 -6.610 -3.727 88 HZ1 LYS 11 3HZ LYS 11 -12.283 -6.721 -6.669 89 HZ2 LYS 11 1HZ LYS 11 -13.335 -6.114 -5.514 90 HZ3 LYS 11 2HZ LYS 11 -11.971 -5.376 -5.736 91 H GLN 12 H GLN 12 -6.814 -5.513 -1.141 92 HA GLN 12 HA GLN 12 -7.902 -3.624 0.764 93 HB2 GLN 12 2HB GLN 12 -6.884 -5.965 1.228 94 HB3 GLN 12 3HB GLN 12 -5.335 -5.154 1.185 95 HG2 GLN 12 2HG GLN 12 -5.974 -5.275 3.471 96 HG3 GLN 12 3HG GLN 12 -6.248 -3.595 2.997 97 HE21 GLN 12 1HE2 GLN 12 -8.271 -6.628 2.536 98 HE22 GLN 12 2HE2 GLN 12 -9.638 -5.943 3.384 99 H VAL 13 H VAL 13 -4.983 -3.688 -1.293 100 HA VAL 13 HA VAL 13 -3.701 -1.509 0.092 101 HB VAL 13 HB VAL 13 -2.796 -3.476 -1.568 102 HG11 VAL 13 1HG1 VAL 13 -1.807 -2.519 -3.573 103 HG12 VAL 13 2HG1 VAL 13 -3.557 -2.401 -3.692 104 HG13 VAL 13 3HG1 VAL 13 -2.622 -0.972 -3.280 105 HG21 VAL 13 3HG2 VAL 13 -1.496 -2.145 0.059 106 HG22 VAL 13 1HG2 VAL 13 -0.650 -2.367 -1.471 107 HG23 VAL 13 2HG2 VAL 13 -1.428 -0.807 -1.105 108 H GLU 14 H GLU 14 -5.721 -1.837 -2.869 109 HA GLU 14 HA GLU 14 -5.529 0.986 -3.366 110 HB2 GLU 14 2HB GLU 14 -6.984 0.722 -5.115 111 HB3 GLU 14 3HB GLU 14 -6.109 -0.810 -5.047 112 HG2 GLU 14 2HG GLU 14 -8.163 -1.691 -3.771 113 HG3 GLU 14 3HG GLU 14 -8.992 -0.237 -4.336 114 H TYR 15 H TYR 15 -7.684 -0.993 -1.315 115 HA TYR 15 HA TYR 15 -9.646 0.884 -0.748 116 HB2 TYR 15 2HB TYR 15 -10.088 -1.325 -0.188 117 HB3 TYR 15 3HB TYR 15 -8.503 -1.581 0.517 118 HD1 TYR 15 HD2 TYR 15 -11.638 0.361 1.105 119 HD2 TYR 15 HD1 TYR 15 -8.120 -1.501 2.749 120 HE1 TYR 15 HE2 TYR 15 -12.345 1.036 3.357 121 HE2 TYR 15 HE1 TYR 15 -8.768 -0.808 4.984 122 HH TYR 15 HH TYR 15 -11.351 1.532 5.515 123 H TYR 16 H TYR 16 -6.443 0.284 0.835 124 HA TYR 16 HA TYR 16 -6.707 2.200 2.879 125 HB2 TYR 16 2HB TYR 16 -4.228 1.436 1.293 126 HB3 TYR 16 3HB TYR 16 -4.215 2.356 2.792 127 HD1 TYR 16 HD1 TYR 16 -6.705 0.269 3.696 128 HD2 TYR 16 HD2 TYR 16 -2.530 0.093 2.619 129 HE1 TYR 16 HE1 TYR 16 -6.447 -1.742 5.058 130 HE2 TYR 16 HE2 TYR 16 -2.253 -1.917 4.042 131 HH TYR 16 HH TYR 16 -3.565 -3.692 5.031 132 H PHE 17 H PHE 17 -6.062 2.838 -0.550 133 HA PHE 17 HA PHE 17 -5.758 5.735 0.129 134 HB2 PHE 17 2HB PHE 17 -4.842 4.129 -2.272 135 HB3 PHE 17 3HB PHE 17 -4.744 5.885 -2.150 136 HD1 PHE 17 1HD PHE 17 -3.524 2.697 -0.555 137 HD2 PHE 17 2HD PHE 17 -3.038 6.980 -0.864 138 HE1 PHE 17 1HE PHE 17 -1.408 2.542 0.682 139 HE2 PHE 17 2HE PHE 17 -0.926 6.813 0.418 140 HZ PHE 17 HZ PHE 17 -0.110 4.601 1.191 141 H SER 18 H SER 18 -8.110 3.598 -0.838 142 HA SER 18 HA SER 18 -9.473 5.423 -2.681 143 HB2 SER 18 2HB SER 18 -9.186 3.088 -3.317 144 HB3 SER 18 3HB SER 18 -10.016 2.574 -1.835 145 HG SER 18 HG SER 18 -11.474 2.516 -3.389 146 H ASP 19 H ASP 19 -9.678 4.089 0.560 147 HA ASP 19 HA ASP 19 -12.405 4.703 1.163 148 HB2 ASP 19 2HB ASP 19 -10.902 2.874 2.019 149 HB3 ASP 19 3HB ASP 19 -9.970 4.084 2.900 150 H SER 20 H SER 20 -10.347 6.943 0.440 151 HA SER 20 HA SER 20 -9.410 8.858 1.180 152 HB2 SER 20 2HB SER 20 -12.093 9.090 1.050 153 HB3 SER 20 3HB SER 20 -11.856 9.548 2.746 154 HG SER 20 HG SER 20 -10.864 10.727 0.379 155 H ASN 21 H ASN 21 -9.046 6.488 3.091 156 HA ASN 21 HA ASN 21 -8.788 7.911 5.634 157 HB2 ASN 21 2HB ASN 21 -8.657 5.095 4.805 158 HB3 ASN 21 3HB ASN 21 -7.340 5.538 5.895 159 HD21 ASN 21 1HD2 ASN 21 -10.271 4.121 6.105 160 HD22 ASN 21 2HD2 ASN 21 -10.735 4.760 7.659 161 H PHE 22 H PHE 22 -6.692 7.453 2.767 162 HA PHE 22 HA PHE 22 -4.239 7.599 4.097 163 HB2 PHE 22 2HB PHE 22 -3.803 7.120 1.954 164 HB3 PHE 22 3HB PHE 22 -5.253 7.913 1.361 165 HD1 PHE 22 1HD PHE 22 -1.909 8.872 2.845 166 HD2 PHE 22 2HD PHE 22 -5.062 9.795 0.057 167 HE1 PHE 22 1HE PHE 22 -0.699 10.899 2.142 168 HE2 PHE 22 2HE PHE 22 -3.932 11.871 -0.519 169 HZ PHE 22 HZ PHE 22 -1.688 12.426 0.440 170 HA PRO 23 HA PRO 23 -4.309 12.245 3.845 171 HB2 PRO 23 2HB PRO 23 -6.611 13.744 3.676 172 HB3 PRO 23 3HB PRO 23 -5.706 13.139 2.251 173 HG2 PRO 23 2HG PRO 23 -8.120 11.885 3.594 174 HG3 PRO 23 3HG PRO 23 -7.860 12.189 1.844 175 HD2 PRO 23 2HD PRO 23 -7.375 9.773 2.968 176 HD3 PRO 23 3HD PRO 23 -6.347 10.400 1.668 177 H ARG 24 H ARG 24 -6.819 10.500 5.526 178 HA ARG 24 HA ARG 24 -7.057 12.397 7.736 179 HB2 ARG 24 2HB ARG 24 -8.933 11.050 6.655 180 HB3 ARG 24 3HB ARG 24 -8.230 9.598 7.369 181 HG2 ARG 24 2HG ARG 24 -8.581 11.749 9.359 182 HG3 ARG 24 3HG ARG 24 -10.095 11.368 8.527 183 HD2 ARG 24 2HD ARG 24 -9.873 9.003 9.086 184 HD3 ARG 24 3HD ARG 24 -8.303 9.301 9.866 185 HE ARG 24 HE ARG 24 -10.102 11.053 11.067 186 HH11 ARG 24 2HH2 ARG 24 -9.696 7.577 10.753 187 HH12 ARG 24 1HH2 ARG 24 -10.525 7.160 12.215 188 HH21 ARG 24 2HH1 ARG 24 -11.163 10.576 13.074 189 HH22 ARG 24 1HH1 ARG 24 -11.357 8.942 13.596 190 H ASP 25 H ASP 25 -5.321 9.404 6.991 191 HA ASP 25 HA ASP 25 -4.711 8.950 9.843 192 HB2 ASP 25 2HB ASP 25 -4.450 7.338 7.312 193 HB3 ASP 25 3HB ASP 25 -3.554 6.889 8.761 194 H LYS 26 H LYS 26 -3.212 10.342 10.421 195 HA LYS 26 HA LYS 26 -1.124 11.430 8.960 196 HB2 LYS 26 2HB LYS 26 -0.133 12.113 11.016 197 HB3 LYS 26 3HB LYS 26 -1.882 12.159 11.198 198 HG2 LYS 26 2HG LYS 26 -1.410 11.108 13.164 199 HG3 LYS 26 3HG LYS 26 -1.463 9.658 12.158 200 HD2 LYS 26 2HD LYS 26 1.075 9.906 11.869 201 HD3 LYS 26 3HD LYS 26 0.996 11.248 13.023 202 HE2 LYS 26 2HE LYS 26 -0.034 9.697 14.698 203 HE3 LYS 26 3HE LYS 26 0.123 8.370 13.535 204 HZ1 LYS 26 3HZ LYS 26 2.519 8.720 13.572 205 HZ2 LYS 26 1HZ LYS 26 2.357 9.925 14.680 206 HZ3 LYS 26 2HZ LYS 26 1.951 8.383 15.078 207 H PHE 27 H PHE 27 -1.302 8.192 10.180 208 HA PHE 27 HA PHE 27 1.435 7.401 10.098 209 HB2 PHE 27 2HB PHE 27 -0.500 6.147 11.082 210 HB3 PHE 27 3HB PHE 27 -1.150 5.894 9.472 211 HD1 PHE 27 2HD PHE 27 2.392 5.590 10.769 212 HD2 PHE 27 1HD PHE 27 -1.029 3.563 9.073 213 HE1 PHE 27 2HE PHE 27 3.670 3.524 10.678 214 HE2 PHE 27 1HE PHE 27 0.279 1.464 8.987 215 HZ PHE 27 HZ PHE 27 2.624 1.416 9.802 216 H LEU 28 H LEU 28 -1.168 7.247 7.605 217 HA LEU 28 HA LEU 28 0.646 6.262 5.558 218 HB2 LEU 28 2HB LEU 28 -2.062 7.620 5.501 219 HB3 LEU 28 3HB LEU 28 -1.146 7.256 4.035 220 HG LEU 28 HG LEU 28 -1.301 4.930 5.846 221 HD11 LEU 28 1HD1 LEU 28 -3.846 5.080 4.370 222 HD12 LEU 28 2HD1 LEU 28 -3.524 4.617 6.065 223 HD13 LEU 28 3HD1 LEU 28 -3.747 6.287 5.652 224 HD21 LEU 28 3HD2 LEU 28 -1.757 3.861 3.616 225 HD22 LEU 28 1HD2 LEU 28 -1.966 5.462 2.925 226 HD23 LEU 28 2HD2 LEU 28 -0.371 4.967 3.551 227 H ARG 29 H ARG 29 -0.714 9.459 6.291 228 HA ARG 29 HA ARG 29 0.621 10.907 4.300 229 HB2 ARG 29 2HB ARG 29 -0.597 11.682 6.919 230 HB3 ARG 29 3HB ARG 29 0.409 12.859 6.057 231 HG2 ARG 29 2HG ARG 29 -0.945 12.634 4.032 232 HG3 ARG 29 3HG ARG 29 -1.905 11.356 4.791 233 HD2 ARG 29 2HD ARG 29 -3.110 13.469 4.878 234 HD3 ARG 29 3HD ARG 29 -2.673 12.948 6.520 235 HE ARG 29 HE ARG 29 -0.683 14.691 5.434 236 HH11 ARG 29 2HH2 ARG 29 -4.026 14.684 6.577 237 HH12 ARG 29 1HH2 ARG 29 -4.040 16.335 7.091 238 HH21 ARG 29 2HH1 ARG 29 -0.664 16.935 6.072 239 HH22 ARG 29 1HH1 ARG 29 -2.066 17.660 6.770 240 H SER 30 H SER 30 2.032 9.705 7.350 241 HA SER 30 HA SER 30 4.305 11.462 7.260 242 HB2 SER 30 2HB SER 30 3.749 9.991 9.211 243 HB3 SER 30 3HB SER 30 4.024 8.550 8.219 244 HG SER 30 HG SER 30 6.143 8.899 8.216 245 H GLU 31 H GLU 31 3.708 8.203 5.798 246 HA GLU 31 HA GLU 31 6.422 8.382 4.665 247 HB2 GLU 31 2HB GLU 31 4.213 6.332 4.646 248 HB3 GLU 31 3HB GLU 31 5.509 6.234 3.440 249 HG2 GLU 31 2HG GLU 31 5.968 4.947 5.573 250 HG3 GLU 31 3HG GLU 31 7.219 6.064 5.047 251 H ALA 32 H ALA 32 3.094 8.810 3.512 252 HA ALA 32 HA ALA 32 3.665 9.171 0.756 253 HB1 ALA 32 1HB ALA 32 1.458 10.426 0.854 254 HB2 ALA 32 2HB ALA 32 1.422 8.794 1.548 255 HB3 ALA 32 3HB ALA 32 1.508 10.223 2.598 256 H ALA 33 H ALA 33 3.960 11.388 3.549 257 HA ALA 33 HA ALA 33 4.237 13.800 2.110 258 HB1 ALA 33 1HB ALA 33 3.788 13.923 4.438 259 HB2 ALA 33 2HB ALA 33 5.191 12.931 4.872 260 HB3 ALA 33 3HB ALA 33 5.414 14.575 4.227 261 H LYS 34 H LYS 34 6.437 11.125 2.011 262 HA LYS 34 HA LYS 34 8.757 12.871 1.639 263 HB2 LYS 34 2HB LYS 34 8.269 9.972 1.949 264 HB3 LYS 34 3HB LYS 34 9.375 10.328 0.635 265 HG2 LYS 34 2HG LYS 34 10.705 10.091 2.600 266 HG3 LYS 34 3HG LYS 34 10.678 11.810 2.183 267 HD2 LYS 34 2HD LYS 34 8.607 11.868 3.868 268 HD3 LYS 34 3HD LYS 34 9.307 10.365 4.472 269 HE2 LYS 34 2HE LYS 34 10.671 13.083 4.213 270 HE3 LYS 34 3HE LYS 34 10.117 12.341 5.721 271 HZ1 LYS 34 3HZ LYS 34 12.488 12.049 5.379 272 HZ2 LYS 34 1HZ LYS 34 11.728 10.587 5.385 273 HZ3 LYS 34 2HZ LYS 34 12.229 11.252 3.964 274 H ASN 35 H ASN 35 6.140 11.908 -0.371 275 HA ASN 35 HA ASN 35 6.941 13.816 -2.248 276 HB2 ASN 35 2HB ASN 35 7.483 10.972 -3.135 277 HB3 ASN 35 3HB ASN 35 6.847 12.149 -4.296 278 HD21 ASN 35 1HD2 ASN 35 9.662 10.803 -3.966 279 HD22 ASN 35 2HD2 ASN 35 10.662 12.237 -4.149 280 H VAL 36 H VAL 36 4.868 14.219 -1.107 281 HA VAL 36 HA VAL 36 2.677 14.574 -1.168 282 HB VAL 36 HB VAL 36 3.079 13.717 -4.035 283 HG11 VAL 36 1HG1 VAL 36 0.523 14.745 -2.741 284 HG12 VAL 36 2HG1 VAL 36 0.850 14.773 -4.492 285 HG13 VAL 36 3HG1 VAL 36 0.750 13.237 -3.650 286 HG21 VAL 36 3HG2 VAL 36 2.512 16.406 -2.738 287 HG22 VAL 36 1HG2 VAL 36 4.115 15.841 -3.266 288 HG23 VAL 36 2HG2 VAL 36 2.834 16.104 -4.457 289 H ASP 37 H ASP 37 2.708 11.581 -3.117 290 HA ASP 37 HA ASP 37 2.244 9.773 -1.028 291 HB2 ASP 37 2HB ASP 37 0.055 9.101 -1.980 292 HB3 ASP 37 3HB ASP 37 0.053 10.531 -0.949 293 H ASN 38 H ASN 38 4.151 10.186 -2.985 294 HA ASN 38 HA ASN 38 3.849 7.914 -4.880 295 HB2 ASN 38 2HB ASN 38 5.889 10.168 -4.789 296 HB3 ASN 38 3HB ASN 38 5.903 8.847 -5.936 297 HD21 ASN 38 1HD2 ASN 38 4.604 12.004 -5.301 298 HD22 ASN 38 2HD2 ASN 38 3.609 12.047 -6.750 299 H TYR 39 H TYR 39 5.053 8.599 -1.777 300 HA TYR 39 HA TYR 39 7.185 6.544 -1.996 301 HB2 TYR 39 2HB TYR 39 7.392 9.316 -1.120 302 HB3 TYR 39 3HB TYR 39 7.612 8.268 0.263 303 HD1 TYR 39 HD1 TYR 39 9.110 5.992 -0.541 304 HD2 TYR 39 HD2 TYR 39 9.490 10.085 -1.845 305 HE1 TYR 39 HE1 TYR 39 11.469 5.577 -1.126 306 HE2 TYR 39 HE2 TYR 39 11.871 9.678 -2.421 307 HH TYR 39 HH TYR 39 13.432 6.492 -2.019 308 H ILE 40 H ILE 40 6.313 4.769 -0.939 309 HA ILE 40 HA ILE 40 4.959 5.243 1.618 310 HB ILE 40 HB ILE 40 3.693 3.518 -0.510 311 HG12 ILE 40 2HG1 ILE 40 2.561 6.161 0.463 312 HG13 ILE 40 3HG1 ILE 40 3.465 6.033 -1.044 313 HG21 ILE 40 1HG2 ILE 40 1.872 3.294 1.115 314 HG22 ILE 40 2HG2 ILE 40 3.388 2.903 1.920 315 HG23 ILE 40 3HG2 ILE 40 2.641 4.489 2.184 316 HD11 ILE 40 3HD1 ILE 40 0.892 5.939 -1.135 317 HD12 ILE 40 1HD1 ILE 40 1.851 4.912 -2.184 318 HD13 ILE 40 2HD1 ILE 40 1.122 4.210 -0.745 319 H SER 41 H SER 41 6.306 3.963 2.953 320 HA SER 41 HA SER 41 7.993 2.014 1.683 321 HB2 SER 41 2HB SER 41 8.634 3.391 3.698 322 HB3 SER 41 3HB SER 41 7.481 2.425 4.652 323 HG SER 41 HG SER 41 9.938 1.714 3.560 324 H ILE 42 H ILE 42 7.753 -0.171 1.575 325 HA ILE 42 HA ILE 42 5.254 -1.428 2.178 326 HB ILE 42 HB ILE 42 6.825 -2.187 0.460 327 HG12 ILE 42 2HG1 ILE 42 6.171 -4.377 2.431 328 HG13 ILE 42 3HG1 ILE 42 5.022 -3.579 1.340 329 HG21 ILE 42 1HG2 ILE 42 8.964 -1.947 1.784 330 HG22 ILE 42 2HG2 ILE 42 8.475 -3.344 2.759 331 HG23 ILE 42 3HG2 ILE 42 8.794 -3.530 1.023 332 HD11 ILE 42 3HD1 ILE 42 7.386 -5.339 0.620 333 HD12 ILE 42 1HD1 ILE 42 5.696 -5.488 0.126 334 HD13 ILE 42 2HD1 ILE 42 6.692 -4.211 -0.568 335 H ASP 43 H ASP 43 7.883 -0.439 4.259 336 HA ASP 43 HA ASP 43 7.490 -2.428 6.277 337 HB2 ASP 43 2HB ASP 43 8.480 0.449 6.380 338 HB3 ASP 43 3HB ASP 43 8.413 -0.613 7.788 339 H VAL 44 H VAL 44 5.873 0.733 5.560 340 HA VAL 44 HA VAL 44 4.300 0.735 7.967 341 HB VAL 44 HB VAL 44 4.670 2.361 5.469 342 HG11 VAL 44 1HG1 VAL 44 2.643 3.696 5.871 343 HG12 VAL 44 2HG1 VAL 44 2.338 2.083 5.229 344 HG13 VAL 44 3HG1 VAL 44 2.044 2.421 6.959 345 HG21 VAL 44 3HG2 VAL 44 4.390 4.168 7.290 346 HG22 VAL 44 1HG2 VAL 44 4.451 2.843 8.449 347 HG23 VAL 44 2HG2 VAL 44 5.824 3.125 7.370 348 H ILE 45 H ILE 45 3.813 -0.171 4.549 349 HA ILE 45 HA ILE 45 1.040 -0.849 4.877 350 HB ILE 45 HB ILE 45 3.000 -1.933 2.877 351 HG12 ILE 45 2HG1 ILE 45 1.169 0.462 2.363 352 HG13 ILE 45 3HG1 ILE 45 2.742 0.751 3.077 353 HG21 ILE 45 1HG2 ILE 45 -0.027 -1.454 2.698 354 HG22 ILE 45 2HG2 ILE 45 0.981 -2.210 1.443 355 HG23 ILE 45 3HG2 ILE 45 0.734 -3.013 3.000 356 HD11 ILE 45 3HD1 ILE 45 3.913 -0.084 1.178 357 HD12 ILE 45 1HD1 ILE 45 2.432 -0.766 0.481 358 HD13 ILE 45 2HD1 ILE 45 2.646 0.985 0.566 359 H ALA 46 H ALA 46 4.053 -2.724 5.260 360 HA ALA 46 HA ALA 46 2.699 -5.213 5.699 361 HB1 ALA 46 1HB ALA 46 5.108 -5.134 5.130 362 HB2 ALA 46 2HB ALA 46 5.450 -4.255 6.635 363 HB3 ALA 46 3HB ALA 46 4.868 -5.930 6.699 364 H SER 47 H SER 47 3.567 -2.414 7.671 365 HA SER 47 HA SER 47 2.772 -3.754 10.168 366 HB2 SER 47 2HB SER 47 4.787 -2.271 9.973 367 HB3 SER 47 3HB SER 47 3.696 -0.897 9.702 368 HG SER 47 HG SER 47 2.719 -1.487 11.748 369 H PHE 48 H PHE 48 0.892 -2.559 7.746 370 HA PHE 48 HA PHE 48 -0.762 -0.678 9.076 371 HB2 PHE 48 2HB PHE 48 -0.564 -1.845 6.536 372 HB3 PHE 48 3HB PHE 48 -2.135 -2.348 7.065 373 HD1 PHE 48 1HD PHE 48 0.079 0.459 6.200 374 HD2 PHE 48 2HD PHE 48 -3.935 -0.679 7.276 375 HE1 PHE 48 1HE PHE 48 -0.797 2.418 4.971 376 HE2 PHE 48 2HE PHE 48 -4.806 1.345 6.108 377 HZ PHE 48 HZ PHE 48 -3.264 2.815 4.894 378 H ASN 49 H ASN 49 -0.379 -3.671 10.244 379 HA ASN 49 HA ASN 49 -1.465 -5.242 11.314 380 HB2 ASN 49 2HB ASN 49 -2.361 -3.288 12.624 381 HB3 ASN 49 3HB ASN 49 -3.862 -3.433 11.697 382 HD21 ASN 49 1HD2 ASN 49 -5.402 -4.816 12.739 383 HD22 ASN 49 2HD2 ASN 49 -4.891 -6.135 13.781 384 H ARG 50 H ARG 50 -4.247 -3.791 9.508 385 HA ARG 50 HA ARG 50 -5.476 -6.231 8.861 386 HB2 ARG 50 2HB ARG 50 -5.685 -3.438 7.956 387 HB3 ARG 50 3HB ARG 50 -5.875 -4.544 6.595 388 HG2 ARG 50 2HG ARG 50 -7.638 -5.778 7.772 389 HG3 ARG 50 3HG ARG 50 -7.476 -4.679 9.156 390 HD2 ARG 50 2HD ARG 50 -7.924 -2.755 7.450 391 HD3 ARG 50 3HD ARG 50 -8.357 -4.012 6.305 392 HE ARG 50 HE ARG 50 -10.363 -4.251 7.318 393 HH11 ARG 50 2HH2 ARG 50 -8.217 -2.546 9.524 394 HH12 ARG 50 1HH2 ARG 50 -9.397 -2.265 10.756 395 HH21 ARG 50 2HH1 ARG 50 -11.998 -3.897 8.952 396 HH22 ARG 50 1HH1 ARG 50 -11.610 -3.055 10.408 397 H MET 51 H MET 51 -2.884 -4.574 7.027 398 HA MET 51 HA MET 51 -2.934 -6.565 4.948 399 HB2 MET 51 2HB MET 51 -1.545 -4.104 5.377 400 HB3 MET 51 3HB MET 51 -0.295 -5.354 5.248 401 HG2 MET 51 2HG MET 51 -0.926 -4.373 3.083 402 HG3 MET 51 3HG MET 51 -1.192 -6.123 3.135 403 HE1 MET 51 3HE MET 51 -2.794 -4.143 0.782 404 HE2 MET 51 1HE MET 51 -3.898 -3.056 1.675 405 HE3 MET 51 2HE MET 51 -2.166 -3.013 2.013 406 H LYS 52 H LYS 52 -1.064 -6.281 8.007 407 HA LYS 52 HA LYS 52 0.710 -8.400 7.405 408 HB2 LYS 52 2HB LYS 52 0.629 -6.583 9.347 409 HB3 LYS 52 3HB LYS 52 -0.267 -7.811 10.225 410 HG2 LYS 52 2HG LYS 52 2.385 -8.440 8.858 411 HG3 LYS 52 3HG LYS 52 2.350 -7.679 10.452 412 HD2 LYS 52 2HD LYS 52 1.276 -9.539 11.471 413 HD3 LYS 52 3HD LYS 52 0.774 -10.199 9.926 414 HE2 LYS 52 2HE LYS 52 2.514 -11.613 10.431 415 HE3 LYS 52 3HE LYS 52 3.278 -10.443 9.354 416 HZ1 LYS 52 3HZ LYS 52 3.410 -10.431 12.307 417 HZ2 LYS 52 1HZ LYS 52 4.621 -10.873 11.288 418 HZ3 LYS 52 2HZ LYS 52 4.118 -9.306 11.330 419 H THR 53 H THR 53 -2.615 -8.287 8.784 420 HA THR 53 HA THR 53 -2.643 -11.107 9.346 421 HB THR 53 HB THR 53 -5.101 -10.560 9.782 422 HG1 THR 53 1HG THR 53 -5.253 -8.721 8.377 423 HG21 THR 53 1HG2 THR 53 -3.241 -10.426 11.474 424 HG22 THR 53 2HG2 THR 53 -3.007 -8.722 11.031 425 HG23 THR 53 3HG2 THR 53 -4.534 -9.240 11.773 426 H ILE 54 H ILE 54 -4.057 -9.095 6.703 427 HA ILE 54 HA ILE 54 -5.511 -11.337 5.590 428 HB ILE 54 HB ILE 54 -4.784 -8.603 4.486 429 HG12 ILE 54 2HG1 ILE 54 -6.391 -8.775 6.483 430 HG13 ILE 54 3HG1 ILE 54 -6.877 -7.827 5.075 431 HG21 ILE 54 1HG2 ILE 54 -5.125 -10.026 2.568 432 HG22 ILE 54 2HG2 ILE 54 -6.592 -10.708 3.259 433 HG23 ILE 54 3HG2 ILE 54 -6.540 -8.994 2.765 434 HD11 ILE 54 3HD1 ILE 54 -7.691 -10.711 5.528 435 HD12 ILE 54 1HD1 ILE 54 -8.669 -9.302 6.011 436 HD13 ILE 54 2HD1 ILE 54 -8.317 -9.583 4.297 437 H SER 55 H SER 55 -2.292 -9.985 5.196 438 HA SER 55 HA SER 55 -1.719 -11.734 2.871 439 HB2 SER 55 2HB SER 55 0.252 -10.051 4.479 440 HB3 SER 55 3HB SER 55 0.484 -10.732 2.862 441 HG SER 55 HG SER 55 -1.250 -8.661 3.678 442 H THR 56 H THR 56 -1.094 -11.535 6.324 443 HA THR 56 HA THR 56 -0.152 -12.893 7.805 444 HB THR 56 HB THR 56 -0.866 -14.947 5.718 445 HG1 THR 56 1HG THR 56 -2.447 -13.736 6.985 446 HG21 THR 56 1HG2 THR 56 -0.616 -16.620 7.585 447 HG22 THR 56 2HG2 THR 56 0.941 -15.993 7.008 448 HG23 THR 56 3HG2 THR 56 0.244 -15.387 8.532 449 H ASP 57 H ASP 57 1.507 -12.473 4.658 450 HA ASP 57 HA ASP 57 4.015 -12.804 6.063 451 HB2 ASP 57 2HB ASP 57 3.525 -15.029 5.101 452 HB3 ASP 57 3HB ASP 57 3.202 -14.275 3.522 453 H LEU 58 H LEU 58 5.650 -11.870 4.941 454 HA LEU 58 HA LEU 58 5.082 -9.308 3.747 455 HB2 LEU 58 2HB LEU 58 7.671 -10.860 4.133 456 HB3 LEU 58 3HB LEU 58 7.614 -9.176 3.614 457 HG LEU 58 HG LEU 58 6.206 -9.928 6.185 458 HD11 LEU 58 1HD1 LEU 58 9.208 -9.507 5.925 459 HD12 LEU 58 2HD1 LEU 58 8.290 -9.597 7.447 460 HD13 LEU 58 3HD1 LEU 58 8.389 -11.015 6.391 461 HD21 LEU 58 3HD2 LEU 58 6.051 -7.623 5.226 462 HD22 LEU 58 1HD2 LEU 58 6.839 -7.659 6.818 463 HD23 LEU 58 2HD2 LEU 58 7.817 -7.478 5.350 464 H GLN 59 H GLN 59 5.758 -12.443 2.375 465 HA GLN 59 HA GLN 59 6.835 -11.514 -0.121 466 HB2 GLN 59 2HB GLN 59 7.082 -13.812 0.872 467 HB3 GLN 59 3HB GLN 59 5.354 -14.078 0.575 468 HG2 GLN 59 2HG GLN 59 6.666 -15.129 -1.192 469 HG3 GLN 59 3HG GLN 59 5.701 -13.813 -1.860 470 HE21 GLN 59 1HE2 GLN 59 6.781 -12.013 -2.822 471 HE22 GLN 59 2HE2 GLN 59 8.543 -11.992 -2.947 472 H LEU 60 H LEU 60 3.620 -12.522 1.081 473 HA LEU 60 HA LEU 60 2.223 -11.998 -1.380 474 HB2 LEU 60 2HB LEU 60 1.582 -12.805 1.419 475 HB3 LEU 60 3HB LEU 60 0.408 -11.722 0.740 476 HG LEU 60 HG LEU 60 -0.333 -13.933 0.332 477 HD11 LEU 60 1HD1 LEU 60 -0.474 -12.176 -1.573 478 HD12 LEU 60 2HD1 LEU 60 0.745 -13.158 -2.398 479 HD13 LEU 60 3HD1 LEU 60 -0.809 -13.875 -1.964 480 HD21 LEU 60 3HD2 LEU 60 0.964 -15.586 -0.953 481 HD22 LEU 60 1HD2 LEU 60 2.335 -14.459 -1.043 482 HD23 LEU 60 2HD2 LEU 60 1.813 -15.106 0.529 483 H ILE 61 H ILE 61 3.143 -9.963 1.384 484 HA ILE 61 HA ILE 61 1.459 -7.787 0.460 485 HB ILE 61 HB ILE 61 2.931 -8.283 2.756 486 HG12 ILE 61 2HG1 ILE 61 0.775 -7.099 2.433 487 HG13 ILE 61 3HG1 ILE 61 1.842 -6.302 3.585 488 HG21 ILE 61 1HG2 ILE 61 5.021 -7.254 1.837 489 HG22 ILE 61 2HG2 ILE 61 4.131 -5.746 1.574 490 HG23 ILE 61 3HG2 ILE 61 4.345 -6.374 3.207 491 HD11 ILE 61 3HD1 ILE 61 1.831 -5.419 0.676 492 HD12 ILE 61 1HD1 ILE 61 0.599 -4.865 1.772 493 HD13 ILE 61 2HD1 ILE 61 2.307 -4.511 2.123 494 H THR 62 H THR 62 4.695 -8.913 -0.241 495 HA THR 62 HA THR 62 5.488 -6.529 -1.738 496 HB THR 62 HB THR 62 6.616 -9.360 -1.806 497 HG1 THR 62 1HG THR 62 6.826 -8.311 0.194 498 HG21 THR 62 1HG2 THR 62 7.744 -6.715 -2.837 499 HG22 THR 62 2HG2 THR 62 8.641 -8.243 -2.729 500 HG23 THR 62 3HG2 THR 62 7.266 -8.106 -3.839 501 H GLU 63 H GLU 63 3.986 -9.683 -2.570 502 HA GLU 63 HA GLU 63 4.058 -9.087 -5.391 503 HB2 GLU 63 2HB GLU 63 3.845 -11.424 -4.455 504 HB3 GLU 63 3HB GLU 63 2.181 -11.017 -3.969 505 HG2 GLU 63 2HG GLU 63 1.725 -10.388 -6.400 506 HG3 GLU 63 3HG GLU 63 3.352 -10.938 -6.802 507 H ALA 64 H ALA 64 1.736 -8.547 -2.771 508 HA ALA 64 HA ALA 64 -0.505 -7.851 -4.372 509 HB1 ALA 64 1HB ALA 64 -0.590 -8.154 -1.916 510 HB2 ALA 64 2HB ALA 64 0.315 -6.640 -1.694 511 HB3 ALA 64 3HB ALA 64 -1.310 -6.606 -2.417 512 H LEU 65 H LEU 65 2.201 -5.845 -3.181 513 HA LEU 65 HA LEU 65 1.309 -3.422 -4.490 514 HB2 LEU 65 2HB LEU 65 3.955 -4.386 -3.348 515 HB3 LEU 65 3HB LEU 65 3.766 -2.803 -4.091 516 HG LEU 65 HG LEU 65 2.056 -3.727 -1.755 517 HD11 LEU 65 1HD1 LEU 65 4.569 -3.548 -1.305 518 HD12 LEU 65 2HD1 LEU 65 4.424 -1.810 -1.649 519 HD13 LEU 65 3HD1 LEU 65 3.521 -2.547 -0.301 520 HD21 LEU 65 3HD2 LEU 65 2.596 -0.994 -3.008 521 HD22 LEU 65 1HD2 LEU 65 1.056 -1.875 -3.087 522 HD23 LEU 65 2HD2 LEU 65 1.636 -1.267 -1.541 523 H LYS 66 H LYS 66 3.475 -6.114 -5.388 524 HA LYS 66 HA LYS 66 4.489 -4.879 -7.768 525 HB2 LYS 66 2HB LYS 66 5.450 -6.850 -6.450 526 HB3 LYS 66 3HB LYS 66 4.225 -7.838 -7.248 527 HG2 LYS 66 2HG LYS 66 5.485 -6.335 -9.322 528 HG3 LYS 66 3HG LYS 66 6.791 -6.753 -8.238 529 HD2 LYS 66 2HD LYS 66 6.822 -8.903 -8.976 530 HD3 LYS 66 3HD LYS 66 5.093 -9.101 -8.704 531 HE2 LYS 66 2HE LYS 66 5.301 -9.401 -11.010 532 HE3 LYS 66 3HE LYS 66 4.691 -7.747 -10.827 533 HZ1 LYS 66 3HZ LYS 66 7.497 -8.525 -11.339 534 HZ2 LYS 66 1HZ LYS 66 6.470 -7.820 -12.413 535 HZ3 LYS 66 2HZ LYS 66 6.985 -6.978 -11.098 536 H LYS 67 H LYS 67 1.448 -6.506 -7.140 537 HA LYS 67 HA LYS 67 0.795 -6.327 -10.054 538 HB2 LYS 67 2HB LYS 67 -0.480 -7.995 -7.844 539 HB3 LYS 67 3HB LYS 67 -1.034 -7.916 -9.529 540 HG2 LYS 67 2HG LYS 67 1.221 -8.777 -10.255 541 HG3 LYS 67 3HG LYS 67 1.640 -8.989 -8.549 542 HD2 LYS 67 2HD LYS 67 0.745 -11.054 -8.708 543 HD3 LYS 67 3HD LYS 67 -0.840 -10.265 -8.729 544 HE2 LYS 67 2HE LYS 67 -0.660 -10.112 -11.245 545 HE3 LYS 67 3HE LYS 67 0.878 -10.984 -11.148 546 HZ1 LYS 67 3HZ LYS 67 -1.757 -12.031 -10.324 547 HZ2 LYS 67 1HZ LYS 67 -0.890 -12.498 -11.638 548 HZ3 LYS 67 2HZ LYS 67 -0.330 -12.827 -10.124 549 H SER 68 H SER 68 0.898 -3.976 -8.216 550 HA SER 68 HA SER 68 -1.625 -3.457 -7.138 551 HB2 SER 68 2HB SER 68 -0.910 -1.004 -7.518 552 HB3 SER 68 3HB SER 68 -0.005 -1.993 -6.395 553 HG SER 68 HG SER 68 1.640 -2.143 -7.800 554 H THR 69 H THR 69 -3.343 -2.239 -7.801 555 HA THR 69 HA THR 69 -3.948 -2.481 -10.698 556 HB THR 69 HB THR 69 -5.307 -3.908 -9.415 557 HG1 THR 69 1HG THR 69 -7.397 -2.699 -9.530 558 HG21 THR 69 1HG2 THR 69 -6.283 -1.673 -7.610 559 HG22 THR 69 2HG2 THR 69 -6.625 -3.390 -7.496 560 HG23 THR 69 3HG2 THR 69 -5.028 -2.798 -7.091 561 H ARG 70 H ARG 70 -4.923 -0.386 -7.931 562 HA ARG 70 HA ARG 70 -5.175 1.891 -9.790 563 HB2 ARG 70 2HB ARG 70 -5.840 1.418 -6.858 564 HB3 ARG 70 3HB ARG 70 -6.064 2.984 -7.641 565 HG2 ARG 70 2HG ARG 70 -7.332 0.475 -8.788 566 HG3 ARG 70 3HG ARG 70 -8.103 1.440 -7.504 567 HD2 ARG 70 2HD ARG 70 -8.374 3.294 -8.805 568 HD3 ARG 70 3HD ARG 70 -7.085 2.857 -9.951 569 HE ARG 70 HE ARG 70 -9.130 0.927 -10.120 570 HH11 ARG 70 2HH2 ARG 70 -8.611 4.356 -10.750 571 HH12 ARG 70 1HH2 ARG 70 -9.744 4.489 -12.045 572 HH21 ARG 70 2HH1 ARG 70 -10.673 1.052 -11.890 573 HH22 ARG 70 1HH1 ARG 70 -10.946 2.547 -12.711 574 H LEU 71 H LEU 71 -2.652 0.536 -7.880 575 HA LEU 71 HA LEU 71 -1.438 3.211 -7.543 576 HB2 LEU 71 2HB LEU 71 -0.662 0.831 -5.868 577 HB3 LEU 71 3HB LEU 71 -0.489 2.531 -5.534 578 HG LEU 71 HG LEU 71 -2.986 0.864 -5.264 579 HD11 LEU 71 1HD1 LEU 71 -1.339 2.461 -3.244 580 HD12 LEU 71 2HD1 LEU 71 -2.725 1.418 -2.885 581 HD13 LEU 71 3HD1 LEU 71 -1.204 0.719 -3.497 582 HD21 LEU 71 3HD2 LEU 71 -2.960 3.706 -4.276 583 HD22 LEU 71 1HD2 LEU 71 -3.350 3.420 -5.983 584 HD23 LEU 71 2HD2 LEU 71 -4.313 2.667 -4.706 585 H GLN 72 H GLN 72 1.124 2.700 -7.498 586 HA GLN 72 HA GLN 72 1.812 0.472 -9.344 587 HB2 GLN 72 2HB GLN 72 2.445 3.432 -9.738 588 HB3 GLN 72 3HB GLN 72 3.390 2.138 -10.491 589 HG2 GLN 72 2HG GLN 72 1.353 1.293 -11.614 590 HG3 GLN 72 3HG GLN 72 0.422 2.643 -10.935 591 HE21 GLN 72 1HE2 GLN 72 0.709 2.188 -13.755 592 HE22 GLN 72 2HE2 GLN 72 1.653 3.523 -14.401 593 H VAL 73 H VAL 73 3.495 -0.616 -8.352 594 HA VAL 73 HA VAL 73 5.045 0.850 -6.301 595 HB VAL 73 HB VAL 73 3.966 -1.377 -5.837 596 HG11 VAL 73 1HG1 VAL 73 6.303 -2.447 -7.483 597 HG12 VAL 73 2HG1 VAL 73 5.225 -3.383 -6.454 598 HG13 VAL 73 3HG1 VAL 73 4.583 -2.574 -7.911 599 HG21 VAL 73 3HG2 VAL 73 6.958 -1.049 -5.413 600 HG22 VAL 73 1HG2 VAL 73 5.673 -0.471 -4.346 601 HG23 VAL 73 2HG2 VAL 73 5.935 -2.204 -4.540 602 H SER 74 H SER 74 7.212 1.149 -6.473 603 HA SER 74 HA SER 74 8.494 1.023 -9.081 604 HB2 SER 74 2HB SER 74 9.104 2.738 -7.419 605 HB3 SER 74 3HB SER 74 9.644 1.466 -6.296 606 HG SER 74 HG SER 74 11.211 2.591 -7.860 607 H GLU 75 H GLU 75 10.436 -0.241 -9.467 608 HA GLU 75 HA GLU 75 10.124 -3.050 -8.976 609 HB2 GLU 75 2HB GLU 75 12.324 -1.281 -10.085 610 HB3 GLU 75 3HB GLU 75 12.564 -3.027 -9.881 611 HG2 GLU 75 2HG GLU 75 10.697 -3.552 -11.316 612 HG3 GLU 75 3HG GLU 75 10.198 -1.859 -11.404 613 H ASP 76 H ASP 76 11.415 -0.492 -6.965 614 HA ASP 76 HA ASP 76 13.288 -2.172 -5.511 615 HB2 ASP 76 2HB ASP 76 13.325 0.355 -5.661 616 HB3 ASP 76 3HB ASP 76 11.852 0.386 -4.685 617 H GLY 77 H GLY 77 9.800 -1.387 -5.392 618 HA2 GLY 77 2HA GLY 77 8.134 -2.323 -4.061 619 HA3 GLY 77 3HA GLY 77 9.301 -3.507 -3.487 620 H LYS 78 H LYS 78 10.490 -0.324 -2.968 621 HA LYS 78 HA LYS 78 9.374 -0.293 -0.186 622 HB2 LYS 78 2HB LYS 78 11.982 0.845 -1.275 623 HB3 LYS 78 3HB LYS 78 11.282 1.344 0.255 624 HG2 LYS 78 2HG LYS 78 12.727 -0.295 0.978 625 HG3 LYS 78 3HG LYS 78 11.196 -1.173 0.866 626 HD2 LYS 78 2HD LYS 78 12.121 -1.601 -1.633 627 HD3 LYS 78 3HD LYS 78 13.669 -1.337 -0.838 628 HE2 LYS 78 2HE LYS 78 13.329 -3.198 0.624 629 HE3 LYS 78 3HE LYS 78 11.594 -3.278 0.243 630 HZ1 LYS 78 3HZ LYS 78 12.095 -3.961 -1.948 631 HZ2 LYS 78 1HZ LYS 78 13.677 -3.703 -1.793 632 HZ3 LYS 78 2HZ LYS 78 12.955 -4.956 -0.953 633 H MET 79 H MET 79 8.658 0.989 -3.184 634 HA MET 79 HA MET 79 7.234 3.092 -1.769 635 HB2 MET 79 2HB MET 79 7.998 4.841 -3.454 636 HB3 MET 79 3HB MET 79 9.231 4.319 -2.300 637 HG2 MET 79 2HG MET 79 10.065 2.686 -4.060 638 HG3 MET 79 3HG MET 79 8.995 3.496 -5.207 639 HE1 MET 79 3HE MET 79 12.003 3.183 -5.928 640 HE2 MET 79 1HE MET 79 13.154 4.304 -5.168 641 HE3 MET 79 2HE MET 79 12.405 3.014 -4.205 642 H VAL 80 H VAL 80 5.316 3.661 -2.760 643 HA VAL 80 HA VAL 80 4.719 2.604 -5.396 644 HB VAL 80 HB VAL 80 3.917 0.788 -4.040 645 HG11 VAL 80 1HG1 VAL 80 2.387 1.098 -2.101 646 HG12 VAL 80 2HG1 VAL 80 3.998 1.757 -1.821 647 HG13 VAL 80 3HG1 VAL 80 2.625 2.833 -2.238 648 HG21 VAL 80 3HG2 VAL 80 2.215 1.440 -5.676 649 HG22 VAL 80 1HG2 VAL 80 1.471 0.832 -4.210 650 HG23 VAL 80 2HG2 VAL 80 1.506 2.575 -4.501 651 H ARG 81 H ARG 81 2.894 3.749 -6.311 652 HA ARG 81 HA ARG 81 2.382 6.371 -4.965 653 HB2 ARG 81 2HB ARG 81 2.359 6.054 -7.984 654 HB3 ARG 81 3HB ARG 81 2.460 7.516 -7.017 655 HG2 ARG 81 2HG ARG 81 4.683 7.440 -7.507 656 HG3 ARG 81 3HG ARG 81 4.785 6.221 -6.252 657 HD2 ARG 81 2HD ARG 81 5.825 5.177 -8.094 658 HD3 ARG 81 3HD ARG 81 4.188 4.532 -8.148 659 HE ARG 81 HE ARG 81 3.852 5.527 -10.166 660 HH11 ARG 81 2HH2 ARG 81 6.582 7.099 -8.586 661 HH12 ARG 81 1HH2 ARG 81 7.004 8.114 -9.922 662 HH21 ARG 81 2HH1 ARG 81 4.350 6.883 -11.963 663 HH22 ARG 81 1HH1 ARG 81 5.672 7.998 -11.898 664 H ARG 82 H ARG 82 0.256 7.078 -5.040 665 HA ARG 82 HA ARG 82 -1.707 4.987 -5.406 666 HB2 ARG 82 2HB ARG 82 -3.309 6.676 -4.588 667 HB3 ARG 82 3HB ARG 82 -1.833 6.749 -3.628 668 HG2 ARG 82 2HG ARG 82 -0.998 8.641 -4.942 669 HG3 ARG 82 3HG ARG 82 -2.388 8.589 -6.015 670 HD2 ARG 82 2HD ARG 82 -2.427 9.207 -3.063 671 HD3 ARG 82 3HD ARG 82 -2.546 10.352 -4.440 672 HE ARG 82 HE ARG 82 -4.640 8.496 -4.682 673 HH11 ARG 82 2HH2 ARG 82 -3.436 11.283 -2.902 674 HH12 ARG 82 1HH2 ARG 82 -4.997 11.935 -2.521 675 HH21 ARG 82 2HH1 ARG 82 -6.747 9.086 -3.804 676 HH22 ARG 82 1HH1 ARG 82 -6.948 10.599 -2.986 677 H LEU 83 H LEU 83 -3.952 6.361 -6.448 678 HA LEU 83 HA LEU 83 -3.328 6.470 -9.312 679 HB2 LEU 83 2HB LEU 83 -5.778 6.632 -9.591 680 HB3 LEU 83 3HB LEU 83 -5.294 5.133 -8.845 681 HG LEU 83 HG LEU 83 -6.279 7.474 -7.165 682 HD11 LEU 83 1HD1 LEU 83 -7.975 6.993 -8.893 683 HD12 LEU 83 2HD1 LEU 83 -7.939 5.284 -8.455 684 HD13 LEU 83 3HD1 LEU 83 -8.522 6.495 -7.293 685 HD21 LEU 83 3HD2 LEU 83 -7.041 4.781 -6.320 686 HD22 LEU 83 1HD2 LEU 83 -5.292 4.909 -6.448 687 HD23 LEU 83 2HD2 LEU 83 -6.204 6.044 -5.419 688 H ASP 84 H ASP 84 -3.552 8.340 -10.474 689 HA ASP 84 HA ASP 84 -3.313 10.873 -9.227 690 HB2 ASP 84 2HB ASP 84 -3.105 9.777 -11.870 691 HB3 ASP 84 3HB ASP 84 -4.251 11.111 -11.966 692 HA PRO 85 HA PRO 85 -7.834 11.808 -10.334 693 HB2 PRO 85 2HB PRO 85 -9.576 9.838 -11.130 694 HB3 PRO 85 3HB PRO 85 -8.538 10.746 -12.277 695 HG2 PRO 85 2HG PRO 85 -8.005 8.031 -11.036 696 HG3 PRO 85 3HG PRO 85 -7.885 8.499 -12.763 697 HD2 PRO 85 2HD PRO 85 -5.708 8.417 -11.158 698 HD3 PRO 85 3HD PRO 85 -5.889 9.695 -12.393 699 H LEU 86 H LEU 86 -9.791 11.631 -8.919 700 HA LEU 86 HA LEU 86 -9.005 10.472 -6.416 701 HB2 LEU 86 2HB LEU 86 -10.882 11.442 -5.455 702 HB3 LEU 86 3HB LEU 86 -10.386 12.572 -6.681 703 HG LEU 86 HG LEU 86 -12.460 10.654 -7.650 704 HD11 LEU 86 1HD1 LEU 86 -13.123 10.780 -5.274 705 HD12 LEU 86 2HD1 LEU 86 -13.126 12.556 -5.366 706 HD13 LEU 86 3HD1 LEU 86 -14.282 11.598 -6.325 707 HD21 LEU 86 3HD2 LEU 86 -12.356 13.692 -7.476 708 HD22 LEU 86 1HD2 LEU 86 -11.808 12.715 -8.860 709 HD23 LEU 86 2HD2 LEU 86 -13.520 12.722 -8.403 710 HA PRO 87 HA PRO 87 -10.898 6.488 -6.856 711 HB2 PRO 87 2HB PRO 87 -11.224 5.722 -4.270 712 HB3 PRO 87 3HB PRO 87 -9.590 5.963 -4.974 713 HG2 PRO 87 2HG PRO 87 -11.218 7.912 -3.300 714 HG3 PRO 87 3HG PRO 87 -9.503 7.462 -3.075 715 HD2 PRO 87 2HD PRO 87 -10.233 9.698 -4.415 716 HD3 PRO 87 3HD PRO 87 -8.802 8.737 -4.906 717 H GLU 88 H GLU 88 -12.974 5.374 -6.635 718 HA GLU 88 HA GLU 88 -15.185 6.892 -5.386 719 HB2 GLU 88 2HB GLU 88 -15.001 7.631 -7.723 720 HB3 GLU 88 3HB GLU 88 -15.120 5.975 -8.300 721 HG2 GLU 88 2HG GLU 88 -17.294 6.945 -6.453 722 HG3 GLU 88 3HG GLU 88 -17.218 7.715 -8.033 723 H ASN 89 H ASN 89 -15.160 5.240 -3.792 724 HA ASN 89 HA ASN 89 -15.402 3.195 -2.846 725 HB2 ASN 89 2HB ASN 89 -17.553 3.112 -4.997 726 HB3 ASN 89 3HB ASN 89 -17.449 1.969 -3.660 727 HD21 ASN 89 1HD2 ASN 89 -19.689 2.798 -3.186 728 HD22 ASN 89 2HD2 ASN 89 -19.775 4.231 -2.165 729 H ILE 90 H ILE 90 -13.273 3.114 -4.681 730 HA ILE 90 HA ILE 90 -13.720 0.708 -6.277 731 HB ILE 90 HB ILE 90 -11.337 2.520 -5.792 732 HG12 ILE 90 2HG1 ILE 90 -12.972 2.140 -8.344 733 HG13 ILE 90 3HG1 ILE 90 -13.322 3.372 -7.140 734 HG21 ILE 90 1HG2 ILE 90 -10.412 0.373 -6.313 735 HG22 ILE 90 2HG2 ILE 90 -11.582 0.086 -7.614 736 HG23 ILE 90 3HG2 ILE 90 -10.311 1.309 -7.799 737 HD11 ILE 90 3HD1 ILE 90 -10.825 3.205 -8.822 738 HD12 ILE 90 1HD1 ILE 90 -12.072 4.458 -8.825 739 HD13 ILE 90 2HD1 ILE 90 -10.997 4.282 -7.421 740 H ASP 91 H ASP 91 -13.236 -1.379 -5.572 741 HA ASP 91 HA ASP 91 -11.334 -1.988 -3.504 742 HB2 ASP 91 2HB ASP 91 -13.208 -1.149 -2.103 743 HB3 ASP 91 3HB ASP 91 -14.325 -2.225 -2.944 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -0.988 -15.503 -2.694 2 H2 MET 1 H2 MET 1 0.512 -16.166 -2.488 3 H3 MET 1 H3 MET 1 -0.311 -16.395 -3.887 4 HA MET 1 HA MET 1 -0.389 -18.366 -2.546 5 HB2 MET 1 2HB MET 1 -0.383 -16.778 -0.380 6 HB3 MET 1 3HB MET 1 -2.114 -17.033 -0.473 7 HG2 MET 1 2HG MET 1 -1.119 -18.729 0.922 8 HG3 MET 1 3HG MET 1 -1.710 -19.499 -0.558 9 HE1 MET 1 1HE MET 1 1.528 -21.526 0.505 10 HE2 MET 1 2HE MET 1 0.245 -20.814 1.508 11 HE3 MET 1 3HE MET 1 -0.175 -21.681 0.011 12 H SER 2 H SER 2 -1.422 -18.416 -4.695 13 HA SER 2 HA SER 2 -3.038 -18.341 -6.191 14 HB2 SER 2 2HB SER 2 -4.247 -19.642 -4.100 15 HB3 SER 2 3HB SER 2 -5.367 -18.289 -4.360 16 HG SER 2 HG SER 2 -5.718 -20.197 -5.696 17 H GLU 3 H GLU 3 -4.957 -17.019 -7.010 18 HA GLU 3 HA GLU 3 -4.402 -14.218 -6.451 19 HB2 GLU 3 2HB GLU 3 -6.345 -15.609 -8.315 20 HB3 GLU 3 3HB GLU 3 -6.360 -13.849 -8.046 21 HG2 GLU 3 2HG GLU 3 -3.898 -13.785 -8.545 22 HG3 GLU 3 3HG GLU 3 -3.978 -15.487 -9.015 23 H GLU 4 H GLU 4 -6.681 -16.569 -5.078 24 HA GLU 4 HA GLU 4 -8.492 -14.597 -4.076 25 HB2 GLU 4 2HB GLU 4 -7.559 -17.248 -2.904 26 HB3 GLU 4 3HB GLU 4 -8.770 -16.208 -2.126 27 HG2 GLU 4 2HG GLU 4 -10.137 -16.259 -4.215 28 HG3 GLU 4 3HG GLU 4 -8.989 -17.413 -4.915 29 H THR 5 H THR 5 -5.451 -15.862 -2.505 30 HA THR 5 HA THR 5 -5.839 -13.950 -0.372 31 HB THR 5 HB THR 5 -3.209 -15.260 -1.104 32 HG1 THR 5 1HG THR 5 -4.517 -16.964 -0.880 33 HG21 THR 5 1HG2 THR 5 -4.414 -14.361 1.555 34 HG22 THR 5 2HG2 THR 5 -2.831 -15.134 1.345 35 HG23 THR 5 3HG2 THR 5 -3.125 -13.518 0.677 36 H SER 6 H SER 6 -3.867 -13.963 -3.388 37 HA SER 6 HA SER 6 -2.427 -11.607 -2.850 38 HB2 SER 6 2HB SER 6 -2.273 -13.327 -4.818 39 HB3 SER 6 3HB SER 6 -3.443 -12.260 -5.623 40 HG SER 6 HG SER 6 -0.775 -11.879 -4.926 41 H THR 7 H THR 7 -5.595 -11.990 -4.440 42 HA THR 7 HA THR 7 -6.161 -9.225 -4.738 43 HB THR 7 HB THR 7 -7.993 -11.624 -4.838 44 HG1 THR 7 1HG THR 7 -6.784 -10.046 -6.882 45 HG21 THR 7 1HG2 THR 7 -9.448 -10.128 -6.209 46 HG22 THR 7 2HG2 THR 7 -9.356 -9.620 -4.519 47 HG23 THR 7 3HG2 THR 7 -8.426 -8.745 -5.754 48 H GLN 8 H GLN 8 -6.764 -11.454 -2.018 49 HA GLN 8 HA GLN 8 -8.610 -9.705 -0.677 50 HB2 GLN 8 2HB GLN 8 -6.598 -11.740 0.324 51 HB3 GLN 8 3HB GLN 8 -7.624 -10.828 1.395 52 HG2 GLN 8 2HG GLN 8 -8.897 -12.367 -0.885 53 HG3 GLN 8 3HG GLN 8 -8.436 -13.199 0.601 54 HE21 GLN 8 1HE2 GLN 8 -9.970 -13.237 2.208 55 HE22 GLN 8 2HE2 GLN 8 -11.359 -12.170 2.266 56 H ILE 9 H ILE 9 -5.116 -9.741 -1.012 57 HA ILE 9 HA ILE 9 -4.833 -7.654 1.034 58 HB ILE 9 HB ILE 9 -2.767 -8.571 -1.000 59 HG12 ILE 9 2HG1 ILE 9 -2.775 -9.683 1.812 60 HG13 ILE 9 3HG1 ILE 9 -3.792 -10.475 0.626 61 HG21 ILE 9 1HG2 ILE 9 -2.664 -7.391 1.796 62 HG22 ILE 9 2HG2 ILE 9 -1.226 -7.796 0.821 63 HG23 ILE 9 3HG2 ILE 9 -2.316 -6.498 0.295 64 HD11 ILE 9 3HD1 ILE 9 -1.678 -11.564 0.613 65 HD12 ILE 9 1HD1 ILE 9 -1.831 -10.673 -0.910 66 HD13 ILE 9 2HD1 ILE 9 -0.808 -10.024 0.389 67 H LEU 10 H LEU 10 -4.908 -8.074 -2.484 68 HA LEU 10 HA LEU 10 -3.945 -5.576 -3.224 69 HB2 LEU 10 2HB LEU 10 -4.676 -7.858 -4.544 70 HB3 LEU 10 3HB LEU 10 -6.023 -6.816 -4.991 71 HG LEU 10 HG LEU 10 -3.807 -5.173 -5.366 72 HD11 LEU 10 1HD1 LEU 10 -2.387 -7.120 -4.753 73 HD12 LEU 10 2HD1 LEU 10 -3.016 -8.012 -6.155 74 HD13 LEU 10 3HD1 LEU 10 -2.080 -6.523 -6.388 75 HD21 LEU 10 3HD2 LEU 10 -4.890 -7.166 -7.427 76 HD22 LEU 10 1HD2 LEU 10 -5.743 -5.683 -6.962 77 HD23 LEU 10 2HD2 LEU 10 -4.162 -5.584 -7.754 78 H LYS 11 H LYS 11 -7.259 -6.673 -2.889 79 HA LYS 11 HA LYS 11 -8.561 -4.212 -3.507 80 HB2 LYS 11 2HB LYS 11 -10.545 -5.200 -2.640 81 HB3 LYS 11 3HB LYS 11 -9.615 -6.526 -3.355 82 HG2 LYS 11 2HG LYS 11 -8.619 -6.711 -0.902 83 HG3 LYS 11 3HG LYS 11 -10.103 -5.870 -0.432 84 HD2 LYS 11 2HD LYS 11 -9.886 -8.461 -2.002 85 HD3 LYS 11 3HD LYS 11 -10.117 -8.324 -0.243 86 HE2 LYS 11 2HE LYS 11 -12.259 -7.137 -0.622 87 HE3 LYS 11 3HE LYS 11 -12.082 -7.394 -2.368 88 HZ1 LYS 11 3HZ LYS 11 -12.113 -9.748 -1.990 89 HZ2 LYS 11 1HZ LYS 11 -12.070 -9.581 -0.373 90 HZ3 LYS 11 2HZ LYS 11 -13.424 -9.115 -1.210 91 H GLN 12 H GLN 12 -6.969 -5.452 -0.626 92 HA GLN 12 HA GLN 12 -8.158 -3.460 1.075 93 HB2 GLN 12 2HB GLN 12 -7.139 -5.836 1.673 94 HB3 GLN 12 3HB GLN 12 -5.646 -4.913 1.841 95 HG2 GLN 12 2HG GLN 12 -6.542 -4.853 3.983 96 HG3 GLN 12 3HG GLN 12 -7.106 -3.310 3.342 97 HE21 GLN 12 1HE2 GLN 12 -9.500 -3.275 2.506 98 HE22 GLN 12 2HE2 GLN 12 -10.575 -4.438 3.233 99 H VAL 13 H VAL 13 -5.066 -3.738 -0.680 100 HA VAL 13 HA VAL 13 -3.816 -1.409 0.476 101 HB VAL 13 HB VAL 13 -3.488 -3.030 -2.072 102 HG11 VAL 13 1HG1 VAL 13 -1.351 -1.778 -2.462 103 HG12 VAL 13 2HG1 VAL 13 -2.788 -0.788 -2.703 104 HG13 VAL 13 3HG1 VAL 13 -1.840 -0.608 -1.210 105 HG21 VAL 13 3HG2 VAL 13 -1.351 -3.689 -1.026 106 HG22 VAL 13 1HG2 VAL 13 -1.695 -2.637 0.363 107 HG23 VAL 13 2HG2 VAL 13 -2.714 -4.057 0.036 108 H GLU 14 H GLU 14 -5.699 -2.042 -2.528 109 HA GLU 14 HA GLU 14 -5.666 0.652 -3.328 110 HB2 GLU 14 2HB GLU 14 -6.833 -0.016 -5.120 111 HB3 GLU 14 3HB GLU 14 -6.200 -1.557 -4.579 112 HG2 GLU 14 2HG GLU 14 -8.435 -1.996 -3.500 113 HG3 GLU 14 3HG GLU 14 -9.040 -0.517 -4.260 114 H TYR 15 H TYR 15 -7.938 -1.096 -1.212 115 HA TYR 15 HA TYR 15 -9.877 0.906 -0.921 116 HB2 TYR 15 2HB TYR 15 -10.482 -1.178 -0.109 117 HB3 TYR 15 3HB TYR 15 -8.895 -1.484 0.588 118 HD1 TYR 15 HD2 TYR 15 -12.040 0.390 1.140 119 HD2 TYR 15 HD1 TYR 15 -8.231 -0.859 2.744 120 HE1 TYR 15 HE2 TYR 15 -12.619 1.397 3.304 121 HE2 TYR 15 HE1 TYR 15 -8.757 0.162 4.874 122 HH TYR 15 HH TYR 15 -11.642 2.260 5.218 123 H TYR 16 H TYR 16 -6.783 0.371 0.900 124 HA TYR 16 HA TYR 16 -7.283 2.450 2.772 125 HB2 TYR 16 2HB TYR 16 -4.795 1.038 1.842 126 HB3 TYR 16 3HB TYR 16 -4.607 2.528 2.736 127 HD1 TYR 16 HD2 TYR 16 -5.659 2.782 5.046 128 HD2 TYR 16 HD1 TYR 16 -5.319 -0.987 3.018 129 HE1 TYR 16 HE2 TYR 16 -5.767 1.622 7.215 130 HE2 TYR 16 HE1 TYR 16 -5.496 -2.184 5.182 131 HH TYR 16 HH TYR 16 -5.387 -0.479 8.286 132 H PHE 17 H PHE 17 -6.107 2.662 -0.562 133 HA PHE 17 HA PHE 17 -5.670 5.588 -0.188 134 HB2 PHE 17 2HB PHE 17 -4.898 3.666 -2.396 135 HB3 PHE 17 3HB PHE 17 -4.647 5.410 -2.470 136 HD1 PHE 17 2HD PHE 17 -2.991 6.555 -1.039 137 HD2 PHE 17 1HD PHE 17 -3.523 2.277 -0.894 138 HE1 PHE 17 2HE PHE 17 -0.898 6.338 0.222 139 HE2 PHE 17 1HE PHE 17 -1.412 2.052 0.380 140 HZ PHE 17 HZ PHE 17 -0.112 4.075 0.973 141 H SER 18 H SER 18 -8.162 3.513 -1.190 142 HA SER 18 HA SER 18 -9.241 5.456 -3.117 143 HB2 SER 18 2HB SER 18 -8.899 3.098 -3.809 144 HB3 SER 18 3HB SER 18 -10.045 2.585 -2.553 145 HG SER 18 HG SER 18 -11.416 2.837 -4.089 146 H ASP 19 H ASP 19 -9.646 4.380 0.132 147 HA ASP 19 HA ASP 19 -12.475 5.142 0.383 148 HB2 ASP 19 2HB ASP 19 -11.352 3.157 1.421 149 HB3 ASP 19 3HB ASP 19 -10.360 4.255 2.388 150 H SER 20 H SER 20 -10.219 7.093 -0.359 151 HA SER 20 HA SER 20 -8.983 8.855 0.361 152 HB2 SER 20 2HB SER 20 -11.789 9.506 1.301 153 HB3 SER 20 3HB SER 20 -10.475 10.701 1.167 154 HG SER 20 HG SER 20 -11.873 10.408 -0.743 155 H ASN 21 H ASN 21 -8.770 6.642 2.284 156 HA ASN 21 HA ASN 21 -8.680 8.020 4.860 157 HB2 ASN 21 2HB ASN 21 -8.115 5.223 3.954 158 HB3 ASN 21 3HB ASN 21 -7.245 5.806 5.373 159 HD21 ASN 21 1HD2 ASN 21 -9.720 3.889 4.884 160 HD22 ASN 21 2HD2 ASN 21 -10.932 4.540 5.906 161 H PHE 22 H PHE 22 -6.407 7.717 2.119 162 HA PHE 22 HA PHE 22 -4.035 7.873 3.609 163 HB2 PHE 22 2HB PHE 22 -3.429 7.534 1.501 164 HB3 PHE 22 3HB PHE 22 -4.896 8.255 0.861 165 HD1 PHE 22 2HD PHE 22 -1.719 9.426 2.564 166 HD2 PHE 22 1HD PHE 22 -4.676 10.050 -0.512 167 HE1 PHE 22 2HE PHE 22 -0.602 11.525 1.896 168 HE2 PHE 22 1HE PHE 22 -3.618 12.134 -1.134 169 HZ PHE 22 HZ PHE 22 -1.524 12.913 0.047 170 HA PRO 23 HA PRO 23 -4.165 12.498 3.698 171 HB2 PRO 23 2HB PRO 23 -6.452 13.994 3.361 172 HB3 PRO 23 3HB PRO 23 -5.405 13.466 2.007 173 HG2 PRO 23 2HG PRO 23 -7.938 12.140 3.021 174 HG3 PRO 23 3HG PRO 23 -7.497 12.539 1.328 175 HD2 PRO 23 2HD PRO 23 -7.115 10.066 2.376 176 HD3 PRO 23 3HD PRO 23 -5.978 10.758 1.207 177 H ARG 24 H ARG 24 -6.833 10.636 4.975 178 HA ARG 24 HA ARG 24 -7.408 12.443 7.206 179 HB2 ARG 24 2HB ARG 24 -9.068 11.212 5.709 180 HB3 ARG 24 3HB ARG 24 -8.554 9.707 6.446 181 HG2 ARG 24 2HG ARG 24 -9.480 11.849 8.343 182 HG3 ARG 24 3HG ARG 24 -10.678 11.240 7.204 183 HD2 ARG 24 2HD ARG 24 -11.019 9.803 8.947 184 HD3 ARG 24 3HD ARG 24 -9.922 8.859 7.932 185 HE ARG 24 HE ARG 24 -8.460 10.437 9.836 186 HH11 ARG 24 2HH2 ARG 24 -9.955 7.345 9.293 187 HH12 ARG 24 1HH2 ARG 24 -9.557 6.666 10.816 188 HH21 ARG 24 2HH1 ARG 24 -7.872 9.589 11.899 189 HH22 ARG 24 1HH1 ARG 24 -8.297 7.965 12.331 190 H ASP 25 H ASP 25 -5.608 9.487 6.631 191 HA ASP 25 HA ASP 25 -5.420 8.886 9.521 192 HB2 ASP 25 2HB ASP 25 -4.767 7.334 6.985 193 HB3 ASP 25 3HB ASP 25 -4.152 6.858 8.566 194 H LYS 26 H LYS 26 -3.946 10.235 10.324 195 HA LYS 26 HA LYS 26 -1.661 11.294 9.115 196 HB2 LYS 26 2HB LYS 26 -2.034 10.501 12.035 197 HB3 LYS 26 3HB LYS 26 -0.591 11.292 11.412 198 HG2 LYS 26 2HG LYS 26 -1.685 13.121 12.123 199 HG3 LYS 26 3HG LYS 26 -2.245 13.097 10.451 200 HD2 LYS 26 2HD LYS 26 -4.405 12.194 11.140 201 HD3 LYS 26 3HD LYS 26 -3.793 11.893 12.791 202 HE2 LYS 26 2HE LYS 26 -3.359 14.336 13.051 203 HE3 LYS 26 3HE LYS 26 -4.063 14.621 11.452 204 HZ1 LYS 26 3HZ LYS 26 -5.486 13.464 13.768 205 HZ2 LYS 26 1HZ LYS 26 -5.639 15.007 13.228 206 HZ3 LYS 26 2HZ LYS 26 -6.148 13.759 12.286 207 H PHE 27 H PHE 27 -2.062 7.984 10.213 208 HA PHE 27 HA PHE 27 0.656 7.128 10.249 209 HB2 PHE 27 2HB PHE 27 -1.414 5.888 11.000 210 HB3 PHE 27 3HB PHE 27 -1.820 5.606 9.313 211 HD1 PHE 27 1HD PHE 27 0.908 5.145 11.829 212 HD2 PHE 27 2HD PHE 27 -0.868 3.694 8.176 213 HE1 PHE 27 1HE PHE 27 2.424 3.215 11.865 214 HE2 PHE 27 2HE PHE 27 0.630 1.716 8.241 215 HZ PHE 27 HZ PHE 27 2.277 1.459 10.081 216 H LEU 28 H LEU 28 -1.752 7.167 7.594 217 HA LEU 28 HA LEU 28 0.099 6.192 5.572 218 HB2 LEU 28 2HB LEU 28 -2.624 7.510 5.607 219 HB3 LEU 28 3HB LEU 28 -1.695 7.500 4.110 220 HG LEU 28 HG LEU 28 -1.713 4.865 5.430 221 HD11 LEU 28 1HD1 LEU 28 -4.117 4.417 4.527 222 HD12 LEU 28 2HD1 LEU 28 -3.946 5.215 6.102 223 HD13 LEU 28 3HD1 LEU 28 -4.359 6.142 4.659 224 HD21 LEU 28 3HD2 LEU 28 -0.853 5.388 3.153 225 HD22 LEU 28 1HD2 LEU 28 -2.124 4.159 3.093 226 HD23 LEU 28 2HD2 LEU 28 -2.500 5.819 2.645 227 H ARG 29 H ARG 29 -1.260 9.375 6.318 228 HA ARG 29 HA ARG 29 0.149 10.874 4.487 229 HB2 ARG 29 2HB ARG 29 -1.780 11.559 6.100 230 HB3 ARG 29 3HB ARG 29 -0.482 11.971 7.228 231 HG2 ARG 29 2HG ARG 29 -0.503 13.998 6.191 232 HG3 ARG 29 3HG ARG 29 0.404 13.200 4.904 233 HD2 ARG 29 2HD ARG 29 -1.844 12.570 3.865 234 HD3 ARG 29 3HD ARG 29 -2.608 13.652 5.032 235 HE ARG 29 HE ARG 29 -1.162 14.327 2.629 236 HH11 ARG 29 2HH2 ARG 29 -2.009 15.566 5.818 237 HH12 ARG 29 1HH2 ARG 29 -1.737 17.231 5.436 238 HH21 ARG 29 2HH1 ARG 29 -0.835 16.556 2.061 239 HH22 ARG 29 1HH1 ARG 29 -1.081 17.800 3.228 240 H SER 30 H SER 30 1.388 9.599 7.589 241 HA SER 30 HA SER 30 3.613 11.399 7.720 242 HB2 SER 30 2HB SER 30 2.560 9.388 9.384 243 HB3 SER 30 3HB SER 30 4.063 8.671 8.824 244 HG SER 30 HG SER 30 5.140 10.540 9.560 245 H GLU 31 H GLU 31 3.083 8.247 6.099 246 HA GLU 31 HA GLU 31 5.921 8.262 5.301 247 HB2 GLU 31 2HB GLU 31 4.577 6.139 5.823 248 HB3 GLU 31 3HB GLU 31 3.817 6.381 4.245 249 HG2 GLU 31 2HG GLU 31 5.652 4.927 3.846 250 HG3 GLU 31 3HG GLU 31 6.194 6.505 3.269 251 H ALA 32 H ALA 32 2.731 8.813 3.814 252 HA ALA 32 HA ALA 32 3.581 9.232 1.167 253 HB1 ALA 32 1HB ALA 32 1.429 10.457 0.995 254 HB2 ALA 32 2HB ALA 32 1.245 8.956 1.911 255 HB3 ALA 32 3HB ALA 32 1.332 10.518 2.759 256 H ALA 33 H ALA 33 3.673 11.382 3.991 257 HA ALA 33 HA ALA 33 4.179 13.840 2.720 258 HB1 ALA 33 1HB ALA 33 4.904 12.781 5.485 259 HB2 ALA 33 2HB ALA 33 5.148 14.469 4.973 260 HB3 ALA 33 3HB ALA 33 3.517 13.795 5.022 261 H LYS 34 H LYS 34 6.292 11.110 2.638 262 HA LYS 34 HA LYS 34 8.735 12.740 2.607 263 HB2 LYS 34 2HB LYS 34 8.054 9.854 2.470 264 HB3 LYS 34 3HB LYS 34 9.209 10.313 1.250 265 HG2 LYS 34 2HG LYS 34 10.482 9.656 3.127 266 HG3 LYS 34 3HG LYS 34 10.624 11.410 3.017 267 HD2 LYS 34 2HD LYS 34 10.345 10.676 5.334 268 HD3 LYS 34 3HD LYS 34 8.939 11.647 4.848 269 HE2 LYS 34 2HE LYS 34 7.571 9.673 4.554 270 HE3 LYS 34 3HE LYS 34 8.975 8.605 4.629 271 HZ1 LYS 34 3HZ LYS 34 7.751 10.076 6.850 272 HZ2 LYS 34 1HZ LYS 34 7.875 8.456 6.610 273 HZ3 LYS 34 2HZ LYS 34 9.233 9.290 6.957 274 H ASN 35 H ASN 35 6.263 11.646 0.275 275 HA ASN 35 HA ASN 35 7.433 13.522 -1.641 276 HB2 ASN 35 2HB ASN 35 8.495 11.114 -1.907 277 HB3 ASN 35 3HB ASN 35 6.960 10.749 -2.710 278 HD21 ASN 35 1HD2 ASN 35 6.446 13.036 -4.249 279 HD22 ASN 35 2HD2 ASN 35 7.842 13.351 -5.277 280 H VAL 36 H VAL 36 5.144 13.926 -0.352 281 HA VAL 36 HA VAL 36 3.025 14.581 -0.665 282 HB VAL 36 HB VAL 36 3.850 14.171 -3.512 283 HG11 VAL 36 1HG1 VAL 36 0.967 14.536 -2.685 284 HG12 VAL 36 2HG1 VAL 36 1.627 14.963 -4.284 285 HG13 VAL 36 3HG1 VAL 36 1.670 13.287 -3.752 286 HG21 VAL 36 3HG2 VAL 36 2.623 16.490 -1.986 287 HG22 VAL 36 1HG2 VAL 36 4.366 16.219 -2.216 288 HG23 VAL 36 2HG2 VAL 36 3.327 16.536 -3.616 289 H ASP 37 H ASP 37 3.135 11.794 -2.837 290 HA ASP 37 HA ASP 37 2.277 9.916 -0.909 291 HB2 ASP 37 2HB ASP 37 0.051 11.110 -1.318 292 HB3 ASP 37 3HB ASP 37 0.113 10.515 -2.975 293 H ASN 38 H ASN 38 4.365 10.240 -2.777 294 HA ASN 38 HA ASN 38 3.755 8.214 -4.862 295 HB2 ASN 38 2HB ASN 38 5.889 10.377 -4.752 296 HB3 ASN 38 3HB ASN 38 5.884 9.066 -5.931 297 HD21 ASN 38 1HD2 ASN 38 4.281 12.048 -4.945 298 HD22 ASN 38 2HD2 ASN 38 3.325 12.174 -6.424 299 H TYR 39 H TYR 39 5.439 8.613 -1.884 300 HA TYR 39 HA TYR 39 7.226 6.332 -2.475 301 HB2 TYR 39 2HB TYR 39 7.905 9.016 -1.241 302 HB3 TYR 39 3HB TYR 39 8.777 7.570 -0.801 303 HD1 TYR 39 HD1 TYR 39 7.669 8.949 -4.175 304 HD2 TYR 39 HD2 TYR 39 10.907 7.562 -1.697 305 HE1 TYR 39 HE1 TYR 39 9.198 9.122 -6.093 306 HE2 TYR 39 HE2 TYR 39 12.442 7.727 -3.609 307 HH TYR 39 HH TYR 39 12.665 8.308 -5.872 308 H ILE 40 H ILE 40 6.442 4.746 -1.197 309 HA ILE 40 HA ILE 40 5.599 5.384 1.557 310 HB ILE 40 HB ILE 40 3.935 3.654 -0.288 311 HG12 ILE 40 2HG1 ILE 40 3.393 6.587 0.289 312 HG13 ILE 40 3HG1 ILE 40 3.894 5.920 -1.265 313 HG21 ILE 40 1HG2 ILE 40 2.249 3.866 1.447 314 HG22 ILE 40 2HG2 ILE 40 3.764 3.345 2.187 315 HG23 ILE 40 3HG2 ILE 40 3.248 5.042 2.326 316 HD11 ILE 40 3HD1 ILE 40 1.593 6.133 -1.519 317 HD12 ILE 40 1HD1 ILE 40 1.777 4.418 -1.141 318 HD13 ILE 40 2HD1 ILE 40 1.278 5.572 0.127 319 H SER 41 H SER 41 7.313 4.127 2.573 320 HA SER 41 HA SER 41 8.524 1.940 1.450 321 HB2 SER 41 2HB SER 41 8.137 2.490 4.395 322 HB3 SER 41 3HB SER 41 9.463 1.601 3.625 323 HG SER 41 HG SER 41 9.215 4.203 4.063 324 H ILE 42 H ILE 42 8.132 -0.213 1.403 325 HA ILE 42 HA ILE 42 5.570 -1.198 2.110 326 HB ILE 42 HB ILE 42 7.892 -3.098 1.981 327 HG12 ILE 42 2HG1 ILE 42 8.593 -1.847 0.185 328 HG13 ILE 42 3HG1 ILE 42 7.605 -3.106 -0.537 329 HG21 ILE 42 1HG2 ILE 42 5.022 -3.118 1.027 330 HG22 ILE 42 2HG2 ILE 42 6.196 -4.399 0.643 331 HG23 ILE 42 3HG2 ILE 42 5.744 -4.083 2.318 332 HD11 ILE 42 3HD1 ILE 42 7.180 -0.148 -0.505 333 HD12 ILE 42 1HD1 ILE 42 6.817 -1.338 -1.755 334 HD13 ILE 42 2HD1 ILE 42 5.737 -1.147 -0.357 335 H ASP 43 H ASP 43 8.121 -0.341 4.248 336 HA ASP 43 HA ASP 43 7.590 -2.249 6.323 337 HB2 ASP 43 2HB ASP 43 8.945 0.399 6.084 338 HB3 ASP 43 3HB ASP 43 8.273 0.028 7.674 339 H VAL 44 H VAL 44 6.026 0.883 5.413 340 HA VAL 44 HA VAL 44 4.314 0.973 7.726 341 HB VAL 44 HB VAL 44 4.822 2.451 5.184 342 HG11 VAL 44 1HG1 VAL 44 2.753 3.762 5.283 343 HG12 VAL 44 2HG1 VAL 44 2.524 2.099 4.736 344 HG13 VAL 44 3HG1 VAL 44 2.058 2.560 6.398 345 HG21 VAL 44 3HG2 VAL 44 3.830 3.864 7.588 346 HG22 VAL 44 1HG2 VAL 44 5.315 2.916 7.836 347 HG23 VAL 44 2HG2 VAL 44 5.268 4.146 6.580 348 H ILE 45 H ILE 45 4.061 -0.225 4.403 349 HA ILE 45 HA ILE 45 1.241 -0.841 4.654 350 HB ILE 45 HB ILE 45 3.154 -2.010 2.633 351 HG12 ILE 45 2HG1 ILE 45 1.799 0.729 2.369 352 HG13 ILE 45 3HG1 ILE 45 3.505 0.528 2.748 353 HG21 ILE 45 1HG2 ILE 45 0.655 -2.689 2.776 354 HG22 ILE 45 2HG2 ILE 45 0.275 -1.053 2.242 355 HG23 ILE 45 3HG2 ILE 45 1.208 -2.139 1.191 356 HD11 ILE 45 3HD1 ILE 45 2.182 -0.328 0.177 357 HD12 ILE 45 1HD1 ILE 45 3.365 0.967 0.422 358 HD13 ILE 45 2HD1 ILE 45 3.856 -0.715 0.643 359 H ALA 46 H ALA 46 4.234 -2.713 5.000 360 HA ALA 46 HA ALA 46 2.891 -5.213 5.499 361 HB1 ALA 46 1HB ALA 46 5.311 -5.098 4.887 362 HB2 ALA 46 2HB ALA 46 5.649 -4.253 6.412 363 HB3 ALA 46 3HB ALA 46 5.068 -5.931 6.436 364 H SER 47 H SER 47 3.789 -2.386 7.420 365 HA SER 47 HA SER 47 2.955 -3.717 9.914 366 HB2 SER 47 2HB SER 47 5.013 -2.291 9.763 367 HB3 SER 47 3HB SER 47 3.962 -0.881 9.493 368 HG SER 47 HG SER 47 2.948 -1.432 11.502 369 H PHE 48 H PHE 48 1.079 -2.648 7.496 370 HA PHE 48 HA PHE 48 -0.521 -0.684 8.742 371 HB2 PHE 48 2HB PHE 48 -0.567 -2.227 6.322 372 HB3 PHE 48 3HB PHE 48 -2.160 -2.363 7.010 373 HD1 PHE 48 1HD PHE 48 -2.367 0.437 8.252 374 HD2 PHE 48 2HD PHE 48 -0.999 -1.017 4.423 375 HE1 PHE 48 1HE PHE 48 -2.972 2.601 7.201 376 HE2 PHE 48 2HE PHE 48 -1.630 1.145 3.378 377 HZ PHE 48 HZ PHE 48 -2.620 2.920 4.771 378 H ASN 49 H ASN 49 -0.089 -3.731 9.939 379 HA ASN 49 HA ASN 49 -1.155 -5.132 11.302 380 HB2 ASN 49 2HB ASN 49 -2.375 -2.723 12.031 381 HB3 ASN 49 3HB ASN 49 -3.749 -3.765 11.660 382 HD21 ASN 49 1HD2 ASN 49 -1.904 -2.801 14.210 383 HD22 ASN 49 2HD2 ASN 49 -1.964 -4.283 15.149 384 H ARG 50 H ARG 50 -3.924 -3.743 9.517 385 HA ARG 50 HA ARG 50 -5.178 -6.167 8.968 386 HB2 ARG 50 2HB ARG 50 -6.123 -3.859 8.779 387 HB3 ARG 50 3HB ARG 50 -5.211 -3.631 7.277 388 HG2 ARG 50 2HG ARG 50 -6.468 -5.369 6.169 389 HG3 ARG 50 3HG ARG 50 -7.237 -5.872 7.681 390 HD2 ARG 50 2HD ARG 50 -7.505 -2.973 6.983 391 HD3 ARG 50 3HD ARG 50 -8.354 -4.067 5.909 392 HE ARG 50 HE ARG 50 -9.058 -3.374 8.588 393 HH11 ARG 50 2HH2 ARG 50 -9.330 -5.944 6.143 394 HH12 ARG 50 1HH2 ARG 50 -10.653 -6.742 6.902 395 HH21 ARG 50 2HH1 ARG 50 -10.903 -4.391 9.566 396 HH22 ARG 50 1HH1 ARG 50 -11.599 -5.806 8.867 397 H MET 51 H MET 51 -2.677 -4.531 7.012 398 HA MET 51 HA MET 51 -2.876 -6.422 4.837 399 HB2 MET 51 2HB MET 51 -1.465 -4.017 5.224 400 HB3 MET 51 3HB MET 51 -0.201 -5.262 5.168 401 HG2 MET 51 2HG MET 51 -0.629 -4.493 2.920 402 HG3 MET 51 3HG MET 51 -1.201 -6.151 3.083 403 HE1 MET 51 3HE MET 51 -3.002 -2.650 4.192 404 HE2 MET 51 1HE MET 51 -1.974 -2.442 2.750 405 HE3 MET 51 2HE MET 51 -3.737 -2.340 2.602 406 H LYS 52 H LYS 52 -0.861 -6.210 7.804 407 HA LYS 52 HA LYS 52 0.858 -8.379 7.195 408 HB2 LYS 52 2HB LYS 52 0.915 -6.620 9.162 409 HB3 LYS 52 3HB LYS 52 -0.098 -7.782 10.016 410 HG2 LYS 52 2HG LYS 52 1.626 -9.556 9.600 411 HG3 LYS 52 3HG LYS 52 2.622 -8.358 8.749 412 HD2 LYS 52 2HD LYS 52 2.683 -6.979 10.838 413 HD3 LYS 52 3HD LYS 52 1.800 -8.278 11.682 414 HE2 LYS 52 2HE LYS 52 3.616 -9.873 11.123 415 HE3 LYS 52 3HE LYS 52 4.475 -8.600 10.242 416 HZ1 LYS 52 3HZ LYS 52 5.361 -8.874 12.445 417 HZ2 LYS 52 1HZ LYS 52 4.676 -7.385 12.313 418 HZ3 LYS 52 2HZ LYS 52 3.898 -8.582 13.136 419 H THR 53 H THR 53 -2.374 -8.245 8.756 420 HA THR 53 HA THR 53 -2.417 -11.053 9.337 421 HB THR 53 HB THR 53 -4.877 -10.495 9.775 422 HG1 THR 53 1HG THR 53 -4.936 -8.625 8.318 423 HG21 THR 53 1HG2 THR 53 -4.285 -9.091 11.729 424 HG22 THR 53 2HG2 THR 53 -3.065 -10.364 11.484 425 HG23 THR 53 3HG2 THR 53 -2.724 -8.694 10.983 426 H ILE 54 H ILE 54 -3.756 -9.053 6.643 427 HA ILE 54 HA ILE 54 -5.221 -11.322 5.583 428 HB ILE 54 HB ILE 54 -4.567 -8.550 4.553 429 HG12 ILE 54 2HG1 ILE 54 -6.168 -8.852 6.537 430 HG13 ILE 54 3HG1 ILE 54 -6.715 -7.882 5.166 431 HG21 ILE 54 1HG2 ILE 54 -4.886 -9.792 2.553 432 HG22 ILE 54 2HG2 ILE 54 -6.255 -10.676 3.227 433 HG23 ILE 54 3HG2 ILE 54 -6.391 -8.929 2.860 434 HD11 ILE 54 3HD1 ILE 54 -8.417 -9.494 6.063 435 HD12 ILE 54 1HD1 ILE 54 -8.068 -9.680 4.334 436 HD13 ILE 54 2HD1 ILE 54 -7.370 -10.823 5.506 437 H SER 55 H SER 55 -2.016 -10.059 5.196 438 HA SER 55 HA SER 55 -1.492 -11.732 2.794 439 HB2 SER 55 2HB SER 55 0.479 -10.092 4.460 440 HB3 SER 55 3HB SER 55 0.761 -10.778 2.852 441 HG SER 55 HG SER 55 -1.052 -8.734 3.577 442 H THR 56 H THR 56 -0.757 -11.628 6.230 443 HA THR 56 HA THR 56 0.232 -13.052 7.646 444 HB THR 56 HB THR 56 -0.707 -15.052 5.571 445 HG1 THR 56 1HG THR 56 -2.183 -13.589 6.821 446 HG21 THR 56 1HG2 THR 56 0.878 -16.256 7.031 447 HG22 THR 56 2HG2 THR 56 0.172 -15.480 8.472 448 HG23 THR 56 3HG2 THR 56 -0.774 -16.653 7.532 449 H ASP 57 H ASP 57 1.748 -12.400 4.619 450 HA ASP 57 HA ASP 57 4.304 -13.381 5.582 451 HB2 ASP 57 2HB ASP 57 3.229 -15.297 4.385 452 HB3 ASP 57 3HB ASP 57 2.989 -14.264 2.973 453 H LEU 58 H LEU 58 5.894 -12.188 4.643 454 HA LEU 58 HA LEU 58 5.259 -9.540 3.581 455 HB2 LEU 58 2HB LEU 58 7.920 -10.992 3.906 456 HB3 LEU 58 3HB LEU 58 7.751 -9.290 3.478 457 HG LEU 58 HG LEU 58 6.739 -10.487 6.098 458 HD11 LEU 58 1HD1 LEU 58 9.186 -10.672 5.939 459 HD12 LEU 58 2HD1 LEU 58 9.305 -8.951 5.513 460 HD13 LEU 58 3HD1 LEU 58 8.721 -9.437 7.121 461 HD21 LEU 58 3HD2 LEU 58 5.597 -8.385 5.440 462 HD22 LEU 58 1HD2 LEU 58 6.658 -8.128 6.831 463 HD23 LEU 58 2HD2 LEU 58 7.175 -7.595 5.218 464 H GLN 59 H GLN 59 5.951 -12.626 2.281 465 HA GLN 59 HA GLN 59 6.914 -11.832 -0.323 466 HB2 GLN 59 2HB GLN 59 7.152 -14.127 0.717 467 HB3 GLN 59 3HB GLN 59 5.401 -14.307 0.595 468 HG2 GLN 59 2HG GLN 59 6.393 -15.502 -1.233 469 HG3 GLN 59 3HG GLN 59 5.550 -14.099 -1.893 470 HE21 GLN 59 1HE2 GLN 59 7.267 -15.114 -3.647 471 HE22 GLN 59 2HE2 GLN 59 8.778 -14.211 -3.657 472 H LEU 60 H LEU 60 3.744 -12.523 1.201 473 HA LEU 60 HA LEU 60 2.288 -12.099 -1.272 474 HB2 LEU 60 2HB LEU 60 1.715 -12.971 1.507 475 HB3 LEU 60 3HB LEU 60 0.492 -11.902 0.874 476 HG LEU 60 HG LEU 60 0.065 -14.329 0.425 477 HD11 LEU 60 1HD1 LEU 60 -0.089 -13.807 -2.264 478 HD12 LEU 60 2HD1 LEU 60 -1.214 -13.144 -1.060 479 HD13 LEU 60 3HD1 LEU 60 0.140 -12.186 -1.664 480 HD21 LEU 60 3HD2 LEU 60 2.229 -14.252 -1.692 481 HD22 LEU 60 1HD2 LEU 60 2.628 -14.676 -0.015 482 HD23 LEU 60 2HD2 LEU 60 1.474 -15.648 -0.886 483 H ILE 61 H ILE 61 3.272 -10.099 1.483 484 HA ILE 61 HA ILE 61 1.511 -7.925 0.694 485 HB ILE 61 HB ILE 61 2.994 -8.449 2.894 486 HG12 ILE 61 2HG1 ILE 61 1.039 -7.002 2.758 487 HG13 ILE 61 3HG1 ILE 61 2.315 -6.315 3.739 488 HG21 ILE 61 1HG2 ILE 61 4.645 -6.707 3.307 489 HG22 ILE 61 2HG2 ILE 61 5.188 -7.803 2.053 490 HG23 ILE 61 3HG2 ILE 61 4.611 -6.212 1.608 491 HD11 ILE 61 3HD1 ILE 61 1.051 -5.236 1.325 492 HD12 ILE 61 1HD1 ILE 61 2.026 -4.426 2.575 493 HD13 ILE 61 2HD1 ILE 61 2.814 -5.187 1.203 494 H THR 62 H THR 62 4.784 -8.925 -0.136 495 HA THR 62 HA THR 62 5.343 -6.544 -1.726 496 HB THR 62 HB THR 62 6.682 -9.272 -1.536 497 HG1 THR 62 1HG THR 62 7.417 -6.672 -0.645 498 HG21 THR 62 1HG2 THR 62 7.589 -6.792 -3.070 499 HG22 THR 62 2HG2 THR 62 8.620 -8.190 -2.684 500 HG23 THR 62 3HG2 THR 62 7.225 -8.394 -3.752 501 H GLU 63 H GLU 63 4.110 -9.811 -2.444 502 HA GLU 63 HA GLU 63 3.996 -9.424 -5.276 503 HB2 GLU 63 2HB GLU 63 3.827 -11.661 -4.185 504 HB3 GLU 63 3HB GLU 63 2.298 -11.172 -3.430 505 HG2 GLU 63 2HG GLU 63 1.324 -10.840 -5.722 506 HG3 GLU 63 3HG GLU 63 2.845 -11.411 -6.414 507 H ALA 64 H ALA 64 1.763 -8.668 -2.620 508 HA ALA 64 HA ALA 64 -0.476 -8.079 -4.291 509 HB1 ALA 64 1HB ALA 64 -0.643 -8.269 -1.833 510 HB2 ALA 64 2HB ALA 64 0.283 -6.769 -1.640 511 HB3 ALA 64 3HB ALA 64 -1.323 -6.728 -2.429 512 H LEU 65 H LEU 65 2.246 -6.065 -3.116 513 HA LEU 65 HA LEU 65 1.255 -3.663 -4.343 514 HB2 LEU 65 2HB LEU 65 3.897 -4.534 -3.169 515 HB3 LEU 65 3HB LEU 65 3.732 -2.963 -3.960 516 HG LEU 65 HG LEU 65 1.727 -3.815 -1.847 517 HD11 LEU 65 1HD1 LEU 65 3.990 -4.036 -0.897 518 HD12 LEU 65 2HD1 LEU 65 4.366 -2.379 -1.434 519 HD13 LEU 65 3HD1 LEU 65 3.109 -2.669 -0.197 520 HD21 LEU 65 3HD2 LEU 65 1.390 -1.424 -1.612 521 HD22 LEU 65 1HD2 LEU 65 2.782 -1.066 -2.660 522 HD23 LEU 65 2HD2 LEU 65 1.299 -1.775 -3.336 523 H LYS 66 H LYS 66 3.449 -6.240 -5.367 524 HA LYS 66 HA LYS 66 4.389 -5.040 -7.796 525 HB2 LYS 66 2HB LYS 66 5.390 -7.052 -6.757 526 HB3 LYS 66 3HB LYS 66 3.925 -7.973 -7.139 527 HG2 LYS 66 2HG LYS 66 4.282 -7.589 -9.546 528 HG3 LYS 66 3HG LYS 66 5.738 -6.637 -9.192 529 HD2 LYS 66 2HD LYS 66 6.832 -8.580 -8.217 530 HD3 LYS 66 3HD LYS 66 5.357 -9.552 -8.356 531 HE2 LYS 66 2HE LYS 66 6.813 -8.301 -10.727 532 HE3 LYS 66 3HE LYS 66 7.099 -9.954 -10.162 533 HZ1 LYS 66 3HZ LYS 66 4.792 -10.452 -10.595 534 HZ2 LYS 66 1HZ LYS 66 4.505 -8.913 -11.109 535 HZ3 LYS 66 2HZ LYS 66 5.513 -9.890 -11.964 536 H LYS 67 H LYS 67 1.390 -6.703 -6.979 537 HA LYS 67 HA LYS 67 0.545 -6.541 -9.825 538 HB2 LYS 67 2HB LYS 67 0.449 -8.577 -7.864 539 HB3 LYS 67 3HB LYS 67 -1.211 -8.018 -7.977 540 HG2 LYS 67 2HG LYS 67 -1.080 -8.316 -10.478 541 HG3 LYS 67 3HG LYS 67 0.562 -8.969 -10.267 542 HD2 LYS 67 2HD LYS 67 -0.335 -10.759 -8.797 543 HD3 LYS 67 3HD LYS 67 -1.971 -10.088 -8.987 544 HE2 LYS 67 2HE LYS 67 -1.767 -10.427 -11.469 545 HE3 LYS 67 3HE LYS 67 -0.211 -11.234 -11.200 546 HZ1 LYS 67 3HZ LYS 67 -2.825 -12.129 -10.113 547 HZ2 LYS 67 1HZ LYS 67 -2.147 -12.784 -11.360 548 HZ3 LYS 67 2HZ LYS 67 -1.391 -12.910 -9.895 549 H SER 68 H SER 68 0.481 -4.153 -7.827 550 HA SER 68 HA SER 68 -2.075 -3.814 -6.848 551 HB2 SER 68 2HB SER 68 0.026 -1.807 -7.730 552 HB3 SER 68 3HB SER 68 -1.479 -1.355 -6.890 553 HG SER 68 HG SER 68 0.685 -2.802 -5.971 554 H THR 69 H THR 69 -3.538 -2.031 -7.359 555 HA THR 69 HA THR 69 -4.367 -2.073 -10.213 556 HB THR 69 HB THR 69 -5.877 -3.498 -9.279 557 HG1 THR 69 1HG THR 69 -7.665 -1.975 -8.366 558 HG21 THR 69 1HG2 THR 69 -5.912 -1.983 -6.646 559 HG22 THR 69 2HG2 THR 69 -6.718 -3.513 -7.015 560 HG23 THR 69 3HG2 THR 69 -4.983 -3.459 -6.922 561 H ARG 70 H ARG 70 -5.184 -0.232 -7.160 562 HA ARG 70 HA ARG 70 -5.393 2.189 -8.827 563 HB2 ARG 70 2HB ARG 70 -5.791 1.781 -5.829 564 HB3 ARG 70 3HB ARG 70 -6.056 3.293 -6.686 565 HG2 ARG 70 2HG ARG 70 -7.579 0.701 -7.084 566 HG3 ARG 70 3HG ARG 70 -8.161 2.166 -6.293 567 HD2 ARG 70 2HD ARG 70 -9.013 2.651 -8.311 568 HD3 ARG 70 3HD ARG 70 -7.377 3.176 -8.718 569 HE ARG 70 HE ARG 70 -7.576 0.371 -9.164 570 HH11 ARG 70 2HH2 ARG 70 -8.830 3.385 -10.479 571 HH12 ARG 70 1HH2 ARG 70 -9.206 2.756 -12.044 572 HH21 ARG 70 2HH1 ARG 70 -7.999 -0.508 -11.209 573 HH22 ARG 70 1HH1 ARG 70 -8.700 0.440 -12.484 574 H LEU 71 H LEU 71 -2.794 0.619 -7.118 575 HA LEU 71 HA LEU 71 -1.362 3.165 -7.208 576 HB2 LEU 71 2HB LEU 71 -0.608 0.905 -5.303 577 HB3 LEU 71 3HB LEU 71 -0.067 2.541 -5.358 578 HG LEU 71 HG LEU 71 -1.325 2.098 -3.415 579 HD11 LEU 71 1HD1 LEU 71 -2.754 4.041 -3.457 580 HD12 LEU 71 2HD1 LEU 71 -1.311 4.361 -4.408 581 HD13 LEU 71 3HD1 LEU 71 -2.875 3.985 -5.209 582 HD21 LEU 71 3HD2 LEU 71 -3.916 1.950 -4.882 583 HD22 LEU 71 1HD2 LEU 71 -2.975 0.464 -4.593 584 HD23 LEU 71 2HD2 LEU 71 -3.523 1.484 -3.234 585 H GLN 72 H GLN 72 1.016 2.721 -7.651 586 HA GLN 72 HA GLN 72 1.533 0.112 -8.975 587 HB2 GLN 72 2HB GLN 72 2.322 2.864 -10.047 588 HB3 GLN 72 3HB GLN 72 2.909 1.312 -10.645 589 HG2 GLN 72 2HG GLN 72 1.236 1.521 -12.139 590 HG3 GLN 72 3HG GLN 72 0.251 0.829 -10.856 591 HE21 GLN 72 1HE2 GLN 72 0.687 3.541 -12.966 592 HE22 GLN 72 2HE2 GLN 72 -0.491 4.582 -12.178 593 H VAL 73 H VAL 73 3.353 -0.793 -8.194 594 HA VAL 73 HA VAL 73 4.965 0.724 -6.271 595 HB VAL 73 HB VAL 73 3.979 -1.579 -5.822 596 HG11 VAL 73 1HG1 VAL 73 6.312 -2.525 -7.536 597 HG12 VAL 73 2HG1 VAL 73 5.263 -3.518 -6.525 598 HG13 VAL 73 3HG1 VAL 73 4.589 -2.689 -7.950 599 HG21 VAL 73 3HG2 VAL 73 6.027 -2.366 -4.622 600 HG22 VAL 73 1HG2 VAL 73 6.945 -1.089 -5.451 601 HG23 VAL 73 2HG2 VAL 73 5.628 -0.674 -4.332 602 H SER 74 H SER 74 7.096 1.157 -6.585 603 HA SER 74 HA SER 74 8.201 1.209 -9.254 604 HB2 SER 74 2HB SER 74 8.849 2.784 -7.387 605 HB3 SER 74 3HB SER 74 9.619 1.412 -6.567 606 HG SER 74 HG SER 74 10.326 2.582 -9.061 607 H GLU 75 H GLU 75 10.146 0.033 -9.915 608 HA GLU 75 HA GLU 75 9.960 -2.792 -9.581 609 HB2 GLU 75 2HB GLU 75 12.074 -0.911 -10.692 610 HB3 GLU 75 3HB GLU 75 12.280 -2.674 -10.686 611 HG2 GLU 75 2HG GLU 75 10.222 -2.977 -11.974 612 HG3 GLU 75 3HG GLU 75 9.901 -1.238 -11.946 613 H ASP 76 H ASP 76 11.401 -0.308 -7.532 614 HA ASP 76 HA ASP 76 13.386 -2.074 -6.378 615 HB2 ASP 76 2HB ASP 76 12.798 0.668 -6.226 616 HB3 ASP 76 3HB ASP 76 12.353 0.069 -4.630 617 H GLY 77 H GLY 77 9.917 -1.506 -5.959 618 HA2 GLY 77 2HA GLY 77 8.407 -2.285 -4.347 619 HA3 GLY 77 3HA GLY 77 9.510 -3.652 -4.125 620 H LYS 78 H LYS 78 10.377 -0.267 -3.645 621 HA LYS 78 HA LYS 78 9.965 -0.449 -0.677 622 HB2 LYS 78 2HB LYS 78 12.242 0.855 -2.215 623 HB3 LYS 78 3HB LYS 78 11.712 1.450 -0.649 624 HG2 LYS 78 2HG LYS 78 13.437 0.054 -0.063 625 HG3 LYS 78 3HG LYS 78 12.005 -0.912 0.269 626 HD2 LYS 78 2HD LYS 78 12.844 -1.409 -2.455 627 HD3 LYS 78 3HD LYS 78 14.264 -1.509 -1.414 628 HE2 LYS 78 2HE LYS 78 13.101 -3.118 0.060 629 HE3 LYS 78 3HE LYS 78 11.642 -2.974 -0.922 630 HZ1 LYS 78 3HZ LYS 78 14.227 -4.038 -1.849 631 HZ2 LYS 78 1HZ LYS 78 12.833 -4.902 -1.592 632 HZ3 LYS 78 2HZ LYS 78 12.923 -3.798 -2.801 633 H MET 79 H MET 79 8.774 0.924 -3.582 634 HA MET 79 HA MET 79 7.281 2.746 -1.851 635 HB2 MET 79 2HB MET 79 8.981 3.685 -4.237 636 HB3 MET 79 3HB MET 79 7.625 4.603 -3.606 637 HG2 MET 79 2HG MET 79 9.282 5.612 -2.442 638 HG3 MET 79 3HG MET 79 8.890 4.348 -1.292 639 HE1 MET 79 3HE MET 79 11.021 3.954 0.091 640 HE2 MET 79 1HE MET 79 12.587 4.534 -0.526 641 HE3 MET 79 2HE MET 79 11.181 5.623 -0.491 642 H VAL 80 H VAL 80 5.311 3.513 -2.778 643 HA VAL 80 HA VAL 80 4.575 2.468 -5.384 644 HB VAL 80 HB VAL 80 4.011 0.745 -3.628 645 HG11 VAL 80 1HG1 VAL 80 2.146 1.137 -2.082 646 HG12 VAL 80 2HG1 VAL 80 3.508 2.201 -1.762 647 HG13 VAL 80 3HG1 VAL 80 2.060 2.822 -2.607 648 HG21 VAL 80 3HG2 VAL 80 2.679 0.315 -5.397 649 HG22 VAL 80 1HG2 VAL 80 1.445 0.685 -4.207 650 HG23 VAL 80 2HG2 VAL 80 1.933 1.915 -5.392 651 H ARG 81 H ARG 81 2.712 3.611 -6.193 652 HA ARG 81 HA ARG 81 2.129 6.193 -4.766 653 HB2 ARG 81 2HB ARG 81 2.272 7.409 -6.913 654 HB3 ARG 81 3HB ARG 81 3.841 6.805 -6.373 655 HG2 ARG 81 2HG ARG 81 2.405 4.948 -8.219 656 HG3 ARG 81 3HG ARG 81 2.858 6.494 -8.925 657 HD2 ARG 81 2HD ARG 81 4.798 4.782 -7.330 658 HD3 ARG 81 3HD ARG 81 4.574 4.611 -9.083 659 HE ARG 81 HE ARG 81 4.972 7.329 -8.628 660 HH11 ARG 81 2HH2 ARG 81 6.801 4.396 -8.027 661 HH12 ARG 81 1HH2 ARG 81 8.368 5.110 -8.262 662 HH21 ARG 81 2HH1 ARG 81 7.026 8.305 -9.063 663 HH22 ARG 81 1HH1 ARG 81 8.488 7.401 -8.897 664 H ARG 82 H ARG 82 0.090 7.132 -5.319 665 HA ARG 82 HA ARG 82 -1.828 5.228 -6.510 666 HB2 ARG 82 2HB ARG 82 -3.541 6.847 -5.770 667 HB3 ARG 82 3HB ARG 82 -2.451 6.445 -4.449 668 HG2 ARG 82 2HG ARG 82 -1.189 8.553 -4.820 669 HG3 ARG 82 3HG ARG 82 -2.312 8.996 -6.109 670 HD2 ARG 82 2HD ARG 82 -3.113 8.356 -3.244 671 HD3 ARG 82 3HD ARG 82 -2.771 9.993 -3.806 672 HE ARG 82 HE ARG 82 -5.155 8.398 -4.183 673 HH11 ARG 82 2HH2 ARG 82 -3.283 11.028 -5.633 674 HH12 ARG 82 1HH2 ARG 82 -4.550 11.516 -6.709 675 HH21 ARG 82 2HH1 ARG 82 -6.843 9.083 -5.623 676 HH22 ARG 82 1HH1 ARG 82 -6.495 10.308 -6.790 677 H LEU 83 H LEU 83 -3.599 6.438 -7.846 678 HA LEU 83 HA LEU 83 -2.331 7.534 -10.252 679 HB2 LEU 83 2HB LEU 83 -4.613 7.535 -11.152 680 HB3 LEU 83 3HB LEU 83 -4.164 5.938 -10.595 681 HG LEU 83 HG LEU 83 -5.806 7.765 -8.782 682 HD11 LEU 83 1HD1 LEU 83 -6.929 7.825 -10.932 683 HD12 LEU 83 2HD1 LEU 83 -6.881 6.052 -11.051 684 HD13 LEU 83 3HD1 LEU 83 -7.856 6.866 -9.793 685 HD21 LEU 83 3HD2 LEU 83 -5.456 4.770 -9.090 686 HD22 LEU 83 1HD2 LEU 83 -5.304 5.757 -7.618 687 HD23 LEU 83 2HD2 LEU 83 -6.887 5.460 -8.294 688 H ASP 84 H ASP 84 -2.867 9.704 -11.034 689 HA ASP 84 HA ASP 84 -2.825 11.574 -8.936 690 HB2 ASP 84 2HB ASP 84 -3.589 12.614 -11.634 691 HB3 ASP 84 3HB ASP 84 -2.477 13.225 -10.444 692 HA PRO 85 HA PRO 85 -7.310 12.804 -9.907 693 HB2 PRO 85 2HB PRO 85 -8.947 11.085 -11.366 694 HB3 PRO 85 3HB PRO 85 -8.052 12.479 -12.037 695 HG2 PRO 85 2HG PRO 85 -7.354 9.566 -12.149 696 HG3 PRO 85 3HG PRO 85 -7.096 10.827 -13.381 697 HD2 PRO 85 2HD PRO 85 -5.127 9.885 -11.697 698 HD3 PRO 85 3HD PRO 85 -5.129 11.513 -12.422 699 H LEU 86 H LEU 86 -9.459 12.054 -8.927 700 HA LEU 86 HA LEU 86 -8.832 10.351 -6.695 701 HB2 LEU 86 2HB LEU 86 -10.947 10.807 -5.846 702 HB3 LEU 86 3HB LEU 86 -10.408 12.296 -6.573 703 HG LEU 86 HG LEU 86 -12.232 10.438 -8.159 704 HD11 LEU 86 1HD1 LEU 86 -13.074 12.367 -5.960 705 HD12 LEU 86 2HD1 LEU 86 -14.168 11.578 -7.124 706 HD13 LEU 86 3HD1 LEU 86 -13.270 10.595 -5.963 707 HD21 LEU 86 3HD2 LEU 86 -11.356 12.443 -9.315 708 HD22 LEU 86 1HD2 LEU 86 -13.086 12.588 -9.028 709 HD23 LEU 86 2HD2 LEU 86 -11.954 13.475 -7.989 710 HA PRO 87 HA PRO 87 -10.262 6.473 -8.384 711 HB2 PRO 87 2HB PRO 87 -11.502 5.405 -6.050 712 HB3 PRO 87 3HB PRO 87 -9.815 5.149 -6.569 713 HG2 PRO 87 2HG PRO 87 -10.695 6.645 -4.271 714 HG3 PRO 87 3HG PRO 87 -9.034 6.481 -4.923 715 HD2 PRO 87 2HD PRO 87 -10.962 8.701 -5.260 716 HD3 PRO 87 3HD PRO 87 -9.172 8.719 -5.342 717 H GLU 88 H GLU 88 -12.290 5.476 -9.064 718 HA GLU 88 HA GLU 88 -14.680 7.181 -8.541 719 HB2 GLU 88 2HB GLU 88 -13.594 7.295 -10.822 720 HB3 GLU 88 3HB GLU 88 -14.021 5.595 -11.055 721 HG2 GLU 88 2HG GLU 88 -16.427 6.175 -10.719 722 HG3 GLU 88 3HG GLU 88 -15.976 7.861 -10.432 723 H ASN 89 H ASN 89 -15.084 5.869 -6.682 724 HA ASN 89 HA ASN 89 -15.774 4.098 -5.450 725 HB2 ASN 89 2HB ASN 89 -17.418 3.604 -7.943 726 HB3 ASN 89 3HB ASN 89 -17.665 2.811 -6.392 727 HD21 ASN 89 1HD2 ASN 89 -19.913 3.822 -6.692 728 HD22 ASN 89 2HD2 ASN 89 -20.090 5.452 -6.049 729 H ILE 90 H ILE 90 -13.470 3.240 -5.765 730 HA ILE 90 HA ILE 90 -13.691 0.624 -7.163 731 HB ILE 90 HB ILE 90 -11.221 2.329 -6.585 732 HG12 ILE 90 2HG1 ILE 90 -12.592 3.089 -8.532 733 HG13 ILE 90 3HG1 ILE 90 -10.996 2.532 -8.985 734 HG21 ILE 90 1HG2 ILE 90 -10.518 0.099 -6.269 735 HG22 ILE 90 2HG2 ILE 90 -11.472 -0.510 -7.625 736 HG23 ILE 90 3HG2 ILE 90 -10.039 0.495 -7.919 737 HD11 ILE 90 3HD1 ILE 90 -11.945 0.351 -9.725 738 HD12 ILE 90 1HD1 ILE 90 -13.574 0.959 -9.332 739 HD13 ILE 90 2HD1 ILE 90 -12.612 1.738 -10.596 740 H ASP 91 H ASP 91 -13.622 -1.192 -5.925 741 HA ASP 91 HA ASP 91 -12.365 -1.289 -3.333 742 HB2 ASP 91 2HB ASP 91 -14.329 -1.946 -2.151 743 HB3 ASP 91 3HB ASP 91 -14.723 -0.415 -2.920 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -4.203 -19.039 -8.928 2 H2 MET 1 H2 MET 1 -5.788 -19.552 -8.996 3 H3 MET 1 H3 MET 1 -5.446 -17.968 -8.883 4 HA MET 1 HA MET 1 -6.210 -18.685 -6.848 5 HB2 MET 1 2HB MET 1 -5.192 -20.390 -5.526 6 HB3 MET 1 3HB MET 1 -5.671 -21.060 -7.082 7 HG2 MET 1 2HG MET 1 -2.844 -20.359 -6.196 8 HG3 MET 1 3HG MET 1 -3.537 -21.961 -6.359 9 HE1 MET 1 1HE MET 1 -0.706 -21.054 -7.649 10 HE2 MET 1 2HE MET 1 -1.412 -22.688 -7.633 11 HE3 MET 1 3HE MET 1 -0.846 -21.978 -9.162 12 H SER 2 H SER 2 -2.551 -18.619 -7.424 13 HA SER 2 HA SER 2 -2.012 -17.075 -5.215 14 HB2 SER 2 2HB SER 2 -0.627 -16.915 -7.917 15 HB3 SER 2 3HB SER 2 0.092 -16.632 -6.315 16 HG SER 2 HG SER 2 0.135 -18.739 -5.970 17 H GLU 3 H GLU 3 -2.977 -15.951 -8.512 18 HA GLU 3 HA GLU 3 -2.795 -13.154 -7.924 19 HB2 GLU 3 2HB GLU 3 -3.127 -14.221 -10.235 20 HB3 GLU 3 3HB GLU 3 -4.806 -14.529 -9.758 21 HG2 GLU 3 2HG GLU 3 -4.726 -11.902 -9.150 22 HG3 GLU 3 3HG GLU 3 -3.394 -11.908 -10.302 23 H GLU 4 H GLU 4 -5.788 -15.292 -7.746 24 HA GLU 4 HA GLU 4 -7.403 -13.274 -6.737 25 HB2 GLU 4 2HB GLU 4 -7.336 -16.210 -5.930 26 HB3 GLU 4 3HB GLU 4 -8.685 -15.125 -5.600 27 HG2 GLU 4 2HG GLU 4 -9.502 -15.270 -7.717 28 HG3 GLU 4 3HG GLU 4 -7.907 -15.063 -8.445 29 H THR 5 H THR 5 -5.088 -15.270 -4.947 30 HA THR 5 HA THR 5 -6.021 -14.323 -2.370 31 HB THR 5 HB THR 5 -3.291 -15.475 -3.033 32 HG1 THR 5 1HG THR 5 -4.952 -16.871 -3.744 33 HG21 THR 5 1HG2 THR 5 -3.421 -16.308 -0.688 34 HG22 THR 5 2HG2 THR 5 -3.512 -14.535 -0.740 35 HG23 THR 5 3HG2 THR 5 -4.990 -15.497 -0.499 36 H SER 6 H SER 6 -3.077 -13.514 -4.281 37 HA SER 6 HA SER 6 -2.128 -11.539 -2.476 38 HB2 SER 6 2HB SER 6 -0.862 -12.674 -4.361 39 HB3 SER 6 3HB SER 6 -1.743 -11.633 -5.495 40 HG SER 6 HG SER 6 -0.040 -10.788 -3.364 41 H THR 7 H THR 7 -4.214 -11.325 -5.299 42 HA THR 7 HA THR 7 -4.651 -8.558 -5.244 43 HB THR 7 HB THR 7 -6.181 -10.839 -6.528 44 HG1 THR 7 1HG THR 7 -4.378 -8.930 -7.625 45 HG21 THR 7 1HG2 THR 7 -7.699 -8.958 -6.511 46 HG22 THR 7 2HG2 THR 7 -6.414 -7.861 -7.094 47 HG23 THR 7 3HG2 THR 7 -7.037 -9.163 -8.135 48 H GLN 8 H GLN 8 -6.352 -11.097 -3.386 49 HA GLN 8 HA GLN 8 -8.492 -9.343 -2.516 50 HB2 GLN 8 2HB GLN 8 -7.001 -11.647 -1.204 51 HB3 GLN 8 3HB GLN 8 -8.242 -10.759 -0.370 52 HG2 GLN 8 2HG GLN 8 -8.862 -11.904 -3.098 53 HG3 GLN 8 3HG GLN 8 -8.826 -12.966 -1.682 54 HE21 GLN 8 1HE2 GLN 8 -11.123 -13.392 -1.894 55 HE22 GLN 8 2HE2 GLN 8 -12.269 -12.141 -1.425 56 H ILE 9 H ILE 9 -5.112 -9.793 -1.538 57 HA ILE 9 HA ILE 9 -5.422 -7.998 0.716 58 HB ILE 9 HB ILE 9 -2.760 -8.733 -0.530 59 HG12 ILE 9 2HG1 ILE 9 -4.222 -10.572 1.419 60 HG13 ILE 9 3HG1 ILE 9 -4.098 -10.875 -0.299 61 HG21 ILE 9 1HG2 ILE 9 -3.481 -7.289 1.744 62 HG22 ILE 9 2HG2 ILE 9 -3.090 -8.862 2.412 63 HG23 ILE 9 3HG2 ILE 9 -1.880 -8.018 1.429 64 HD11 ILE 9 3HD1 ILE 9 -1.700 -10.562 1.510 65 HD12 ILE 9 1HD1 ILE 9 -2.375 -12.091 0.906 66 HD13 ILE 9 2HD1 ILE 9 -1.685 -10.906 -0.229 67 H LEU 10 H LEU 10 -4.285 -7.765 -2.635 68 HA LEU 10 HA LEU 10 -3.134 -5.166 -2.388 69 HB2 LEU 10 2HB LEU 10 -2.703 -6.938 -4.172 70 HB3 LEU 10 3HB LEU 10 -4.233 -6.486 -4.908 71 HG LEU 10 HG LEU 10 -2.050 -5.479 -5.794 72 HD11 LEU 10 1HD1 LEU 10 -3.251 -3.161 -6.023 73 HD12 LEU 10 2HD1 LEU 10 -3.861 -4.640 -6.837 74 HD13 LEU 10 3HD1 LEU 10 -4.626 -4.034 -5.370 75 HD21 LEU 10 3HD2 LEU 10 -2.458 -3.388 -3.650 76 HD22 LEU 10 1HD2 LEU 10 -1.236 -4.673 -3.510 77 HD23 LEU 10 2HD2 LEU 10 -1.151 -3.511 -4.833 78 H LYS 11 H LYS 11 -6.311 -6.313 -3.388 79 HA LYS 11 HA LYS 11 -7.530 -3.777 -3.932 80 HB2 LYS 11 2HB LYS 11 -8.497 -6.487 -2.970 81 HB3 LYS 11 3HB LYS 11 -9.502 -5.107 -2.606 82 HG2 LYS 11 2HG LYS 11 -10.437 -5.454 -4.569 83 HG3 LYS 11 3HG LYS 11 -9.044 -4.596 -5.237 84 HD2 LYS 11 2HD LYS 11 -7.989 -6.578 -5.915 85 HD3 LYS 11 3HD LYS 11 -9.102 -7.614 -4.978 86 HE2 LYS 11 2HE LYS 11 -10.087 -5.708 -7.129 87 HE3 LYS 11 3HE LYS 11 -9.575 -7.361 -7.534 88 HZ1 LYS 11 3HZ LYS 11 -11.324 -8.190 -6.112 89 HZ2 LYS 11 1HZ LYS 11 -11.666 -6.633 -5.597 90 HZ3 LYS 11 2HZ LYS 11 -11.965 -6.990 -7.098 91 H GLN 12 H GLN 12 -6.989 -5.560 -0.910 92 HA GLN 12 HA GLN 12 -8.056 -3.531 0.724 93 HB2 GLN 12 2HB GLN 12 -7.168 -6.069 1.226 94 HB3 GLN 12 3HB GLN 12 -5.842 -5.127 1.902 95 HG2 GLN 12 2HG GLN 12 -7.199 -5.243 3.742 96 HG3 GLN 12 3HG GLN 12 -7.835 -3.750 3.050 97 HE21 GLN 12 1HE2 GLN 12 -9.849 -4.183 1.408 98 HE22 GLN 12 2HE2 GLN 12 -10.897 -5.476 1.945 99 H VAL 13 H VAL 13 -4.894 -3.561 -0.809 100 HA VAL 13 HA VAL 13 -3.786 -1.486 0.944 101 HB VAL 13 HB VAL 13 -3.164 -2.231 -1.920 102 HG11 VAL 13 1HG1 VAL 13 -2.293 0.034 -1.367 103 HG12 VAL 13 2HG1 VAL 13 -1.508 -0.621 0.079 104 HG13 VAL 13 3HG1 VAL 13 -0.964 -1.119 -1.538 105 HG21 VAL 13 3HG2 VAL 13 -2.725 -4.097 -0.348 106 HG22 VAL 13 1HG2 VAL 13 -1.226 -3.465 -1.040 107 HG23 VAL 13 2HG2 VAL 13 -1.695 -3.005 0.611 108 H GLU 14 H GLU 14 -5.506 -1.625 -2.203 109 HA GLU 14 HA GLU 14 -5.339 1.158 -2.679 110 HB2 GLU 14 2HB GLU 14 -5.823 -0.673 -4.331 111 HB3 GLU 14 3HB GLU 14 -7.463 -0.792 -3.708 112 HG2 GLU 14 2HG GLU 14 -6.247 1.786 -4.804 113 HG3 GLU 14 3HG GLU 14 -7.027 0.582 -5.831 114 H TYR 15 H TYR 15 -7.710 -0.834 -0.958 115 HA TYR 15 HA TYR 15 -9.772 0.966 -0.656 116 HB2 TYR 15 2HB TYR 15 -10.425 -1.081 0.066 117 HB3 TYR 15 3HB TYR 15 -8.823 -1.520 0.624 118 HD1 TYR 15 HD2 TYR 15 -11.927 0.272 1.592 119 HD2 TYR 15 HD1 TYR 15 -8.070 -1.161 2.874 120 HE1 TYR 15 HE2 TYR 15 -12.458 0.924 3.914 121 HE2 TYR 15 HE1 TYR 15 -8.545 -0.477 5.156 122 HH TYR 15 HH TYR 15 -11.226 1.576 5.943 123 H TYR 16 H TYR 16 -6.810 0.632 1.375 124 HA TYR 16 HA TYR 16 -7.597 2.475 3.392 125 HB2 TYR 16 2HB TYR 16 -4.931 1.498 2.353 126 HB3 TYR 16 3HB TYR 16 -4.976 2.873 3.429 127 HD1 TYR 16 HD2 TYR 16 -6.126 2.687 5.687 128 HD2 TYR 16 HD1 TYR 16 -5.078 -0.724 3.262 129 HE1 TYR 16 HE2 TYR 16 -5.986 1.292 7.724 130 HE2 TYR 16 HE1 TYR 16 -4.960 -2.134 5.297 131 HH TYR 16 HH TYR 16 -4.464 -1.045 8.262 132 H PHE 17 H PHE 17 -6.424 3.084 0.124 133 HA PHE 17 HA PHE 17 -6.385 5.974 0.611 134 HB2 PHE 17 2HB PHE 17 -5.723 4.235 -1.776 135 HB3 PHE 17 3HB PHE 17 -5.919 5.977 -1.926 136 HD1 PHE 17 1HD PHE 17 -3.824 3.305 -0.369 137 HD2 PHE 17 2HD PHE 17 -4.334 7.545 -0.999 138 HE1 PHE 17 1HE PHE 17 -1.535 3.724 0.497 139 HE2 PHE 17 2HE PHE 17 -2.053 7.947 -0.141 140 HZ PHE 17 HZ PHE 17 -0.658 6.065 0.625 141 H SER 18 H SER 18 -8.478 3.634 -1.111 142 HA SER 18 HA SER 18 -10.154 5.628 -2.246 143 HB2 SER 18 2HB SER 18 -9.891 3.400 -3.135 144 HB3 SER 18 3HB SER 18 -10.664 2.710 -1.692 145 HG SER 18 HG SER 18 -12.494 4.157 -2.285 146 H ASP 19 H ASP 19 -9.990 4.433 0.948 147 HA ASP 19 HA ASP 19 -12.718 5.122 1.686 148 HB2 ASP 19 2HB ASP 19 -11.249 3.241 2.496 149 HB3 ASP 19 3HB ASP 19 -10.197 4.434 3.252 150 H SER 20 H SER 20 -10.420 7.073 0.681 151 HA SER 20 HA SER 20 -9.309 8.966 1.236 152 HB2 SER 20 2HB SER 20 -12.159 9.507 2.070 153 HB3 SER 20 3HB SER 20 -10.917 10.754 2.290 154 HG SER 20 HG SER 20 -10.504 10.751 0.131 155 H ASN 21 H ASN 21 -9.052 6.790 3.211 156 HA ASN 21 HA ASN 21 -8.961 8.273 5.736 157 HB2 ASN 21 2HB ASN 21 -9.113 5.493 5.043 158 HB3 ASN 21 3HB ASN 21 -7.621 5.737 5.959 159 HD21 ASN 21 1HD2 ASN 21 -10.616 4.676 6.548 160 HD22 ASN 21 2HD2 ASN 21 -10.874 5.442 8.103 161 H PHE 22 H PHE 22 -6.772 7.637 3.034 162 HA PHE 22 HA PHE 22 -4.357 7.558 4.351 163 HB2 PHE 22 2HB PHE 22 -3.956 7.174 2.187 164 HB3 PHE 22 3HB PHE 22 -5.371 8.040 1.666 165 HD1 PHE 22 1HD PHE 22 -2.026 8.993 3.194 166 HD2 PHE 22 2HD PHE 22 -5.023 9.732 0.180 167 HE1 PHE 22 1HE PHE 22 -0.799 10.992 2.445 168 HE2 PHE 22 2HE PHE 22 -3.822 11.704 -0.547 169 HZ PHE 22 HZ PHE 22 -1.670 12.383 0.570 170 HA PRO 23 HA PRO 23 -3.838 12.203 4.200 171 HB2 PRO 23 2HB PRO 23 -5.956 13.942 3.917 172 HB3 PRO 23 3HB PRO 23 -5.015 13.261 2.551 173 HG2 PRO 23 2HG PRO 23 -7.707 12.395 3.594 174 HG3 PRO 23 3HG PRO 23 -7.136 12.500 1.899 175 HD2 PRO 23 2HD PRO 23 -7.238 10.188 3.424 176 HD3 PRO 23 3HD PRO 23 -6.173 10.397 2.022 177 H ARG 24 H ARG 24 -6.555 10.711 5.772 178 HA ARG 24 HA ARG 24 -6.637 12.567 8.034 179 HB2 ARG 24 2HB ARG 24 -8.632 11.443 6.867 180 HB3 ARG 24 3HB ARG 24 -8.093 9.918 7.567 181 HG2 ARG 24 2HG ARG 24 -8.201 11.963 9.637 182 HG3 ARG 24 3HG ARG 24 -9.714 11.963 8.730 183 HD2 ARG 24 2HD ARG 24 -10.006 9.542 9.148 184 HD3 ARG 24 3HD ARG 24 -8.423 9.471 9.924 185 HE ARG 24 HE ARG 24 -9.279 10.291 11.839 186 HH11 ARG 24 2HH2 ARG 24 -11.642 10.878 9.293 187 HH12 ARG 24 1HH2 ARG 24 -12.819 11.640 10.304 188 HH21 ARG 24 2HH1 ARG 24 -10.832 11.308 13.244 189 HH22 ARG 24 1HH1 ARG 24 -12.342 11.867 12.625 190 H ASP 25 H ASP 25 -5.193 9.471 7.143 191 HA ASP 25 HA ASP 25 -4.667 8.703 9.930 192 HB2 ASP 25 2HB ASP 25 -4.490 7.436 7.215 193 HB3 ASP 25 3HB ASP 25 -3.397 6.837 8.464 194 H LYS 26 H LYS 26 -3.135 9.970 10.721 195 HA LYS 26 HA LYS 26 -0.926 11.143 9.454 196 HB2 LYS 26 2HB LYS 26 -1.279 10.163 12.300 197 HB3 LYS 26 3HB LYS 26 0.150 11.060 11.784 198 HG2 LYS 26 2HG LYS 26 -2.666 12.136 11.330 199 HG3 LYS 26 3HG LYS 26 -1.812 12.391 12.849 200 HD2 LYS 26 2HD LYS 26 -0.680 13.242 10.147 201 HD3 LYS 26 3HD LYS 26 -1.639 14.285 11.212 202 HE2 LYS 26 2HE LYS 26 0.002 13.842 13.063 203 HE3 LYS 26 3HE LYS 26 1.015 12.952 11.915 204 HZ1 LYS 26 3HZ LYS 26 0.270 15.799 11.683 205 HZ2 LYS 26 1HZ LYS 26 1.727 15.229 12.179 206 HZ3 LYS 26 2HZ LYS 26 1.236 14.971 10.632 207 H PHE 27 H PHE 27 -1.337 7.813 10.379 208 HA PHE 27 HA PHE 27 1.321 6.835 10.186 209 HB2 PHE 27 2HB PHE 27 -0.721 5.644 11.027 210 HB3 PHE 27 3HB PHE 27 -1.326 5.540 9.383 211 HD1 PHE 27 2HD PHE 27 1.862 4.830 11.267 212 HD2 PHE 27 1HD PHE 27 -0.936 3.477 8.275 213 HE1 PHE 27 2HE PHE 27 3.150 2.757 11.008 214 HE2 PHE 27 1HE PHE 27 0.361 1.379 8.027 215 HZ PHE 27 HZ PHE 27 2.378 0.984 9.413 216 H LEU 28 H LEU 28 -1.264 7.013 7.622 217 HA LEU 28 HA LEU 28 0.653 6.110 5.609 218 HB2 LEU 28 2HB LEU 28 -2.044 7.495 5.336 219 HB3 LEU 28 3HB LEU 28 -1.000 7.077 3.999 220 HG LEU 28 HG LEU 28 -1.150 4.642 5.357 221 HD11 LEU 28 1HD1 LEU 28 -2.998 4.913 6.710 222 HD12 LEU 28 2HD1 LEU 28 -3.676 6.209 5.736 223 HD13 LEU 28 3HD1 LEU 28 -3.896 4.588 5.207 224 HD21 LEU 28 3HD2 LEU 28 -2.567 5.775 2.927 225 HD22 LEU 28 1HD2 LEU 28 -1.022 4.914 2.986 226 HD23 LEU 28 2HD2 LEU 28 -2.531 4.060 3.281 227 H ARG 29 H ARG 29 -0.772 9.252 6.497 228 HA ARG 29 HA ARG 29 0.586 10.835 4.664 229 HB2 ARG 29 2HB ARG 29 -0.646 11.358 7.338 230 HB3 ARG 29 3HB ARG 29 0.508 12.552 6.746 231 HG2 ARG 29 2HG ARG 29 -0.821 12.529 4.527 232 HG3 ARG 29 3HG ARG 29 -2.058 11.634 5.426 233 HD2 ARG 29 2HD ARG 29 -2.594 14.009 5.434 234 HD3 ARG 29 3HD ARG 29 -2.148 13.510 7.080 235 HE ARG 29 HE ARG 29 0.147 14.438 5.638 236 HH11 ARG 29 2HH2 ARG 29 -2.803 15.655 7.104 237 HH12 ARG 29 1HH2 ARG 29 -2.191 17.231 7.478 238 HH21 ARG 29 2HH1 ARG 29 1.035 16.532 6.107 239 HH22 ARG 29 1HH1 ARG 29 0.076 17.740 6.876 240 H SER 30 H SER 30 2.024 9.321 7.560 241 HA SER 30 HA SER 30 4.329 11.038 7.549 242 HB2 SER 30 2HB SER 30 3.537 9.212 9.285 243 HB3 SER 30 3HB SER 30 4.396 8.069 8.240 244 HG SER 30 HG SER 30 5.440 10.364 9.563 245 H GLU 31 H GLU 31 3.681 7.860 5.985 246 HA GLU 31 HA GLU 31 6.187 7.843 4.627 247 HB2 GLU 31 2HB GLU 31 3.917 6.097 4.948 248 HB3 GLU 31 3HB GLU 31 4.175 6.288 3.221 249 HG2 GLU 31 2HG GLU 31 5.489 4.421 4.042 250 HG3 GLU 31 3HG GLU 31 6.550 5.728 3.472 251 H ALA 32 H ALA 32 2.924 8.826 3.602 252 HA ALA 32 HA ALA 32 3.551 9.378 0.883 253 HB1 ALA 32 1HB ALA 32 1.402 10.683 0.997 254 HB2 ALA 32 2HB ALA 32 1.265 9.044 1.655 255 HB3 ALA 32 3HB ALA 32 1.403 10.441 2.748 256 H ALA 33 H ALA 33 3.876 11.316 3.878 257 HA ALA 33 HA ALA 33 4.412 13.821 2.622 258 HB1 ALA 33 1HB ALA 33 5.484 14.387 4.822 259 HB2 ALA 33 2HB ALA 33 3.833 13.772 4.958 260 HB3 ALA 33 3HB ALA 33 5.206 12.712 5.349 261 H LYS 34 H LYS 34 6.302 10.951 2.498 262 HA LYS 34 HA LYS 34 8.825 12.403 2.309 263 HB2 LYS 34 2HB LYS 34 8.110 9.715 2.751 264 HB3 LYS 34 3HB LYS 34 8.717 9.699 1.092 265 HG2 LYS 34 2HG LYS 34 10.573 9.310 2.587 266 HG3 LYS 34 3HG LYS 34 10.747 10.956 1.951 267 HD2 LYS 34 2HD LYS 34 9.129 11.262 4.260 268 HD3 LYS 34 3HD LYS 34 10.289 10.028 4.733 269 HE2 LYS 34 2HE LYS 34 10.977 12.721 3.470 270 HE3 LYS 34 3HE LYS 34 11.006 12.397 5.209 271 HZ1 LYS 34 3HZ LYS 34 12.659 10.989 3.206 272 HZ2 LYS 34 1HZ LYS 34 13.196 12.177 4.211 273 HZ3 LYS 34 2HZ LYS 34 12.698 10.735 4.830 274 H ASN 35 H ASN 35 6.173 11.758 0.144 275 HA ASN 35 HA ASN 35 7.499 13.364 -1.873 276 HB2 ASN 35 2HB ASN 35 8.145 10.776 -2.121 277 HB3 ASN 35 3HB ASN 35 6.570 10.705 -2.928 278 HD21 ASN 35 1HD2 ASN 35 9.322 10.346 -4.058 279 HD22 ASN 35 2HD2 ASN 35 9.479 11.619 -5.257 280 H VAL 36 H VAL 36 5.331 14.110 -0.503 281 HA VAL 36 HA VAL 36 3.209 14.824 -0.604 282 HB VAL 36 HB VAL 36 3.756 14.420 -3.532 283 HG11 VAL 36 1HG1 VAL 36 1.474 13.780 -3.538 284 HG12 VAL 36 2HG1 VAL 36 1.035 15.049 -2.360 285 HG13 VAL 36 3HG1 VAL 36 1.534 15.470 -4.019 286 HG21 VAL 36 3HG2 VAL 36 2.953 16.815 -1.843 287 HG22 VAL 36 1HG2 VAL 36 4.616 16.387 -2.311 288 HG23 VAL 36 2HG2 VAL 36 3.433 16.834 -3.552 289 H ASP 37 H ASP 37 2.981 12.166 -2.902 290 HA ASP 37 HA ASP 37 1.864 10.235 -1.091 291 HB2 ASP 37 2HB ASP 37 -0.106 11.807 -1.341 292 HB3 ASP 37 3HB ASP 37 -0.094 11.476 -3.075 293 H ASN 38 H ASN 38 4.012 10.472 -2.973 294 HA ASN 38 HA ASN 38 3.207 8.469 -5.028 295 HB2 ASN 38 2HB ASN 38 4.151 10.795 -5.740 296 HB3 ASN 38 3HB ASN 38 5.700 10.207 -5.140 297 HD21 ASN 38 1HD2 ASN 38 3.217 9.855 -7.656 298 HD22 ASN 38 2HD2 ASN 38 4.214 8.840 -8.684 299 H TYR 39 H TYR 39 4.995 8.918 -2.108 300 HA TYR 39 HA TYR 39 6.572 6.475 -2.667 301 HB2 TYR 39 2HB TYR 39 7.979 8.498 -2.446 302 HB3 TYR 39 3HB TYR 39 7.274 8.814 -0.856 303 HD1 TYR 39 HD2 TYR 39 7.583 7.003 0.983 304 HD2 TYR 39 HD1 TYR 39 9.878 7.097 -2.676 305 HE1 TYR 39 HE2 TYR 39 9.203 5.402 1.955 306 HE2 TYR 39 HE1 TYR 39 11.540 5.558 -1.668 307 HH TYR 39 HH TYR 39 10.930 3.887 1.405 308 H ILE 40 H ILE 40 5.985 4.805 -1.393 309 HA ILE 40 HA ILE 40 4.812 5.297 1.243 310 HB ILE 40 HB ILE 40 3.442 3.487 -0.778 311 HG12 ILE 40 2HG1 ILE 40 2.366 6.158 0.206 312 HG13 ILE 40 3HG1 ILE 40 3.129 5.951 -1.366 313 HG21 ILE 40 1HG2 ILE 40 1.725 3.280 0.969 314 HG22 ILE 40 2HG2 ILE 40 3.299 2.890 1.662 315 HG23 ILE 40 3HG2 ILE 40 2.571 4.476 1.977 316 HD11 ILE 40 3HD1 ILE 40 1.417 4.387 -2.114 317 HD12 ILE 40 1HD1 ILE 40 0.615 4.493 -0.543 318 HD13 ILE 40 2HD1 ILE 40 0.733 5.923 -1.604 319 H SER 41 H SER 41 6.460 4.224 2.370 320 HA SER 41 HA SER 41 8.038 2.198 1.167 321 HB2 SER 41 2HB SER 41 8.262 3.878 3.374 322 HB3 SER 41 3HB SER 41 8.058 2.284 4.112 323 HG SER 41 HG SER 41 9.974 1.803 3.463 324 H ILE 42 H ILE 42 7.943 -0.011 1.358 325 HA ILE 42 HA ILE 42 5.391 -1.180 1.868 326 HB ILE 42 HB ILE 42 6.399 -3.301 1.466 327 HG12 ILE 42 2HG1 ILE 42 9.022 -3.176 0.919 328 HG13 ILE 42 3HG1 ILE 42 9.002 -1.959 2.197 329 HG21 ILE 42 1HG2 ILE 42 6.094 -1.559 -0.355 330 HG22 ILE 42 2HG2 ILE 42 7.832 -1.301 -0.303 331 HG23 ILE 42 3HG2 ILE 42 7.207 -2.898 -0.736 332 HD11 ILE 42 3HD1 ILE 42 8.015 -3.660 3.752 333 HD12 ILE 42 1HD1 ILE 42 7.979 -4.836 2.419 334 HD13 ILE 42 2HD1 ILE 42 9.527 -4.235 3.040 335 H ASP 43 H ASP 43 7.814 -0.132 4.048 336 HA ASP 43 HA ASP 43 7.476 -1.963 6.173 337 HB2 ASP 43 2HB ASP 43 8.034 1.031 6.320 338 HB3 ASP 43 3HB ASP 43 8.457 -0.196 7.524 339 H VAL 44 H VAL 44 5.675 1.023 5.258 340 HA VAL 44 HA VAL 44 4.003 1.055 7.590 341 HB VAL 44 HB VAL 44 4.396 2.557 5.066 342 HG11 VAL 44 1HG1 VAL 44 1.574 2.415 6.152 343 HG12 VAL 44 2HG1 VAL 44 2.205 3.657 5.051 344 HG13 VAL 44 3HG1 VAL 44 2.142 1.977 4.518 345 HG21 VAL 44 3HG2 VAL 44 3.379 3.346 7.821 346 HG22 VAL 44 1HG2 VAL 44 5.078 3.350 7.294 347 HG23 VAL 44 2HG2 VAL 44 3.909 4.450 6.553 348 H ILE 45 H ILE 45 3.800 -0.238 4.317 349 HA ILE 45 HA ILE 45 1.025 -0.987 4.515 350 HB ILE 45 HB ILE 45 3.080 -2.080 2.607 351 HG12 ILE 45 2HG1 ILE 45 1.509 0.515 2.133 352 HG13 ILE 45 3HG1 ILE 45 3.157 0.526 2.716 353 HG21 ILE 45 1HG2 ILE 45 1.228 -2.306 1.037 354 HG22 ILE 45 2HG2 ILE 45 0.699 -2.990 2.579 355 HG23 ILE 45 3HG2 ILE 45 0.142 -1.385 2.102 356 HD11 ILE 45 3HD1 ILE 45 3.456 -1.091 0.543 357 HD12 ILE 45 1HD1 ILE 45 2.214 0.063 -0.006 358 HD13 ILE 45 2HD1 ILE 45 3.784 0.632 0.591 359 H ALA 46 H ALA 46 4.092 -2.617 5.093 360 HA ALA 46 HA ALA 46 2.887 -5.223 5.551 361 HB1 ALA 46 1HB ALA 46 5.663 -4.135 6.237 362 HB2 ALA 46 2HB ALA 46 5.154 -5.836 6.336 363 HB3 ALA 46 3HB ALA 46 5.232 -5.022 4.756 364 H SER 47 H SER 47 3.596 -2.303 7.389 365 HA SER 47 HA SER 47 2.988 -3.674 9.945 366 HB2 SER 47 2HB SER 47 5.004 -2.197 9.715 367 HB3 SER 47 3HB SER 47 3.914 -0.824 9.420 368 HG SER 47 HG SER 47 2.960 -1.317 11.474 369 H PHE 48 H PHE 48 1.068 -2.670 7.546 370 HA PHE 48 HA PHE 48 -0.437 -0.620 8.692 371 HB2 PHE 48 2HB PHE 48 -0.363 -2.024 6.289 372 HB3 PHE 48 3HB PHE 48 -1.959 -2.419 6.889 373 HD1 PHE 48 1HD PHE 48 -2.323 0.443 8.276 374 HD2 PHE 48 2HD PHE 48 -1.165 -0.987 4.358 375 HE1 PHE 48 1HE PHE 48 -3.201 2.506 7.242 376 HE2 PHE 48 2HE PHE 48 -2.054 1.082 3.343 377 HZ PHE 48 HZ PHE 48 -3.099 2.772 4.785 378 H ASN 49 H ASN 49 -0.217 -3.306 10.314 379 HA ASN 49 HA ASN 49 -1.319 -4.737 11.529 380 HB2 ASN 49 2HB ASN 49 -2.268 -2.364 12.336 381 HB3 ASN 49 3HB ASN 49 -3.800 -3.080 11.839 382 HD21 ASN 49 1HD2 ASN 49 -3.422 -5.873 12.560 383 HD22 ASN 49 2HD2 ASN 49 -3.104 -5.868 14.284 384 H ARG 50 H ARG 50 -4.171 -3.428 9.743 385 HA ARG 50 HA ARG 50 -5.446 -5.907 9.433 386 HB2 ARG 50 2HB ARG 50 -6.371 -3.575 9.018 387 HB3 ARG 50 3HB ARG 50 -5.541 -3.613 7.444 388 HG2 ARG 50 2HG ARG 50 -6.864 -5.531 6.729 389 HG3 ARG 50 3HG ARG 50 -7.616 -5.637 8.335 390 HD2 ARG 50 2HD ARG 50 -7.959 -2.947 7.548 391 HD3 ARG 50 3HD ARG 50 -8.247 -3.870 6.062 392 HE ARG 50 HE ARG 50 -9.683 -5.188 8.036 393 HH11 ARG 50 2HH2 ARG 50 -9.680 -1.962 6.596 394 HH12 ARG 50 1HH2 ARG 50 -11.289 -1.560 7.005 395 HH21 ARG 50 2HH1 ARG 50 -11.878 -4.724 8.622 396 HH22 ARG 50 1HH1 ARG 50 -12.597 -3.220 8.171 397 H MET 51 H MET 51 -3.128 -4.300 7.263 398 HA MET 51 HA MET 51 -3.208 -6.238 5.159 399 HB2 MET 51 2HB MET 51 -1.017 -4.361 6.115 400 HB3 MET 51 3HB MET 51 -0.860 -5.365 4.682 401 HG2 MET 51 2HG MET 51 -2.970 -3.222 5.123 402 HG3 MET 51 3HG MET 51 -1.553 -3.107 4.077 403 HE1 MET 51 3HE MET 51 -2.321 -5.560 1.195 404 HE2 MET 51 1HE MET 51 -1.138 -4.520 2.000 405 HE3 MET 51 2HE MET 51 -1.573 -6.087 2.716 406 H LYS 52 H LYS 52 -1.183 -6.016 8.140 407 HA LYS 52 HA LYS 52 0.452 -8.256 7.410 408 HB2 LYS 52 2HB LYS 52 1.034 -6.482 9.102 409 HB3 LYS 52 3HB LYS 52 -0.189 -7.124 10.185 410 HG2 LYS 52 2HG LYS 52 2.133 -7.844 10.719 411 HG3 LYS 52 3HG LYS 52 1.028 -9.198 10.465 412 HD2 LYS 52 2HD LYS 52 1.965 -9.712 8.332 413 HD3 LYS 52 3HD LYS 52 2.818 -8.158 8.231 414 HE2 LYS 52 2HE LYS 52 3.463 -9.734 10.656 415 HE3 LYS 52 3HE LYS 52 3.873 -10.583 9.161 416 HZ1 LYS 52 3HZ LYS 52 5.646 -9.127 10.068 417 HZ2 LYS 52 1HZ LYS 52 5.246 -8.806 8.505 418 HZ3 LYS 52 2HZ LYS 52 4.719 -7.811 9.706 419 H THR 53 H THR 53 -2.684 -7.944 9.127 420 HA THR 53 HA THR 53 -2.652 -10.728 9.927 421 HB THR 53 HB THR 53 -5.045 -10.144 10.577 422 HG1 THR 53 1HG THR 53 -5.157 -8.334 9.000 423 HG21 THR 53 1HG2 THR 53 -3.118 -9.958 12.112 424 HG22 THR 53 2HG2 THR 53 -2.753 -8.340 11.480 425 HG23 THR 53 3HG2 THR 53 -4.258 -8.617 12.384 426 H ILE 54 H ILE 54 -3.954 -8.895 7.163 427 HA ILE 54 HA ILE 54 -5.601 -11.126 6.267 428 HB ILE 54 HB ILE 54 -4.874 -8.405 5.145 429 HG12 ILE 54 2HG1 ILE 54 -6.504 -8.590 7.087 430 HG13 ILE 54 3HG1 ILE 54 -7.028 -7.690 5.659 431 HG21 ILE 54 1HG2 ILE 54 -5.145 -9.676 3.171 432 HG22 ILE 54 2HG2 ILE 54 -6.576 -10.507 3.792 433 HG23 ILE 54 3HG2 ILE 54 -6.636 -8.767 3.399 434 HD11 ILE 54 3HD1 ILE 54 -7.727 -10.594 6.172 435 HD12 ILE 54 1HD1 ILE 54 -8.767 -9.212 6.595 436 HD13 ILE 54 2HD1 ILE 54 -8.370 -9.531 4.897 437 H SER 55 H SER 55 -2.353 -9.947 5.736 438 HA SER 55 HA SER 55 -1.962 -11.814 3.449 439 HB2 SER 55 2HB SER 55 0.281 -10.877 3.311 440 HB3 SER 55 3HB SER 55 -0.847 -9.520 3.512 441 HG SER 55 HG SER 55 -0.129 -9.132 5.420 442 H THR 56 H THR 56 -1.095 -11.408 6.802 443 HA THR 56 HA THR 56 0.005 -12.643 8.277 444 HB THR 56 HB THR 56 -1.050 -14.872 6.502 445 HG1 THR 56 1HG THR 56 -2.098 -13.331 8.581 446 HG21 THR 56 1HG2 THR 56 -1.032 -16.232 8.663 447 HG22 THR 56 2HG2 THR 56 0.556 -15.977 7.927 448 HG23 THR 56 3HG2 THR 56 0.068 -15.010 9.342 449 H ASP 57 H ASP 57 1.356 -12.088 5.257 450 HA ASP 57 HA ASP 57 3.914 -13.176 6.080 451 HB2 ASP 57 2HB ASP 57 2.699 -15.123 5.027 452 HB3 ASP 57 3HB ASP 57 2.552 -14.174 3.541 453 H LEU 58 H LEU 58 5.483 -11.993 5.157 454 HA LEU 58 HA LEU 58 4.812 -9.529 3.729 455 HB2 LEU 58 2HB LEU 58 7.361 -10.760 4.786 456 HB3 LEU 58 3HB LEU 58 7.465 -9.517 3.552 457 HG LEU 58 HG LEU 58 5.595 -8.617 5.583 458 HD11 LEU 58 1HD1 LEU 58 7.191 -8.381 7.458 459 HD12 LEU 58 2HD1 LEU 58 6.818 -10.096 7.121 460 HD13 LEU 58 3HD1 LEU 58 8.359 -9.390 6.591 461 HD21 LEU 58 3HD2 LEU 58 7.208 -6.717 5.672 462 HD22 LEU 58 1HD2 LEU 58 8.358 -7.654 4.709 463 HD23 LEU 58 2HD2 LEU 58 6.805 -7.162 4.002 464 H GLN 59 H GLN 59 5.480 -12.742 2.824 465 HA GLN 59 HA GLN 59 6.587 -12.339 0.199 466 HB2 GLN 59 2HB GLN 59 6.480 -14.534 1.446 467 HB3 GLN 59 3HB GLN 59 4.729 -14.507 1.255 468 HG2 GLN 59 2HG GLN 59 5.029 -15.664 -0.642 469 HG3 GLN 59 3HG GLN 59 5.575 -14.157 -1.372 470 HE21 GLN 59 1HE2 GLN 59 6.455 -17.383 -0.705 471 HE22 GLN 59 2HE2 GLN 59 8.180 -17.186 -0.990 472 H LEU 60 H LEU 60 3.224 -12.962 1.385 473 HA LEU 60 HA LEU 60 2.069 -12.392 -1.177 474 HB2 LEU 60 2HB LEU 60 1.178 -13.205 1.552 475 HB3 LEU 60 3HB LEU 60 0.042 -12.185 0.722 476 HG LEU 60 HG LEU 60 -0.384 -14.599 0.384 477 HD11 LEU 60 1HD1 LEU 60 -1.283 -13.145 -1.267 478 HD12 LEU 60 2HD1 LEU 60 0.271 -12.998 -2.123 479 HD13 LEU 60 3HD1 LEU 60 -0.602 -14.536 -2.120 480 HD21 LEU 60 3HD2 LEU 60 2.209 -14.622 -1.216 481 HD22 LEU 60 1HD2 LEU 60 1.965 -15.368 0.382 482 HD23 LEU 60 2HD2 LEU 60 1.059 -15.955 -1.023 483 H ILE 61 H ILE 61 2.841 -10.416 1.619 484 HA ILE 61 HA ILE 61 1.218 -8.167 0.794 485 HB ILE 61 HB ILE 61 2.682 -8.862 3.055 486 HG12 ILE 61 2HG1 ILE 61 0.572 -7.579 2.889 487 HG13 ILE 61 3HG1 ILE 61 1.715 -7.010 4.101 488 HG21 ILE 61 1HG2 ILE 61 4.158 -6.978 3.579 489 HG22 ILE 61 2HG2 ILE 61 4.801 -7.929 2.238 490 HG23 ILE 61 3HG2 ILE 61 4.038 -6.379 1.913 491 HD11 ILE 61 3HD1 ILE 61 0.669 -5.159 2.922 492 HD12 ILE 61 1HD1 ILE 61 2.399 -5.138 2.653 493 HD13 ILE 61 2HD1 ILE 61 1.311 -5.728 1.364 494 H THR 62 H THR 62 4.564 -9.224 0.125 495 HA THR 62 HA THR 62 5.203 -6.717 -1.246 496 HB THR 62 HB THR 62 6.608 -9.418 -1.150 497 HG1 THR 62 1HG THR 62 6.721 -8.397 0.765 498 HG21 THR 62 1HG2 THR 62 7.549 -6.752 -2.301 499 HG22 THR 62 2HG2 THR 62 8.590 -8.158 -1.987 500 HG23 THR 62 3HG2 THR 62 7.311 -8.268 -3.208 501 H GLU 63 H GLU 63 4.150 -10.007 -2.193 502 HA GLU 63 HA GLU 63 4.276 -9.444 -5.004 503 HB2 GLU 63 2HB GLU 63 4.226 -11.769 -4.164 504 HB3 GLU 63 3HB GLU 63 2.584 -11.514 -3.518 505 HG2 GLU 63 2HG GLU 63 1.719 -11.084 -5.765 506 HG3 GLU 63 3HG GLU 63 3.354 -11.087 -6.438 507 H ALA 64 H ALA 64 1.793 -8.925 -2.523 508 HA ALA 64 HA ALA 64 -0.347 -8.275 -4.268 509 HB1 ALA 64 1HB ALA 64 0.373 -7.071 -1.563 510 HB2 ALA 64 2HB ALA 64 -1.173 -6.853 -2.392 511 HB3 ALA 64 3HB ALA 64 -0.686 -8.470 -1.863 512 H LEU 65 H LEU 65 2.282 -6.145 -2.985 513 HA LEU 65 HA LEU 65 1.370 -3.814 -4.382 514 HB2 LEU 65 2HB LEU 65 4.109 -4.710 -3.414 515 HB3 LEU 65 3HB LEU 65 3.806 -3.128 -4.121 516 HG LEU 65 HG LEU 65 2.343 -4.162 -1.658 517 HD11 LEU 65 1HD1 LEU 65 3.888 -2.974 -0.342 518 HD12 LEU 65 2HD1 LEU 65 4.914 -3.786 -1.514 519 HD13 LEU 65 3HD1 LEU 65 4.524 -2.063 -1.749 520 HD21 LEU 65 3HD2 LEU 65 1.086 -2.383 -2.827 521 HD22 LEU 65 1HD2 LEU 65 1.843 -1.703 -1.388 522 HD23 LEU 65 2HD2 LEU 65 2.573 -1.414 -2.980 523 H LYS 66 H LYS 66 3.506 -6.490 -5.328 524 HA LYS 66 HA LYS 66 4.307 -5.319 -7.834 525 HB2 LYS 66 2HB LYS 66 5.434 -7.247 -6.633 526 HB3 LYS 66 3HB LYS 66 4.080 -8.265 -7.138 527 HG2 LYS 66 2HG LYS 66 4.721 -7.295 -9.563 528 HG3 LYS 66 3HG LYS 66 6.284 -7.026 -8.790 529 HD2 LYS 66 2HD LYS 66 6.518 -9.385 -8.307 530 HD3 LYS 66 3HD LYS 66 4.813 -9.699 -8.723 531 HE2 LYS 66 2HE LYS 66 5.190 -9.038 -11.040 532 HE3 LYS 66 3HE LYS 66 6.873 -8.620 -10.690 533 HZ1 LYS 66 3HZ LYS 66 7.319 -10.909 -10.218 534 HZ2 LYS 66 1HZ LYS 66 5.743 -11.336 -10.409 535 HZ3 LYS 66 2HZ LYS 66 6.618 -10.812 -11.702 536 H LYS 67 H LYS 67 1.427 -7.112 -6.867 537 HA LYS 67 HA LYS 67 0.419 -7.174 -9.680 538 HB2 LYS 67 2HB LYS 67 -0.128 -8.798 -7.186 539 HB3 LYS 67 3HB LYS 67 -1.493 -8.486 -8.242 540 HG2 LYS 67 2HG LYS 67 -0.707 -10.506 -9.013 541 HG3 LYS 67 3HG LYS 67 -0.145 -9.323 -10.194 542 HD2 LYS 67 2HD LYS 67 2.102 -9.349 -9.055 543 HD3 LYS 67 3HD LYS 67 1.504 -10.634 -7.991 544 HE2 LYS 67 2HE LYS 67 1.010 -11.073 -10.893 545 HE3 LYS 67 3HE LYS 67 2.722 -11.011 -10.461 546 HZ1 LYS 67 3HZ LYS 67 1.757 -13.263 -10.349 547 HZ2 LYS 67 1HZ LYS 67 2.399 -12.781 -8.922 548 HZ3 LYS 67 2HZ LYS 67 0.794 -12.785 -9.098 549 H SER 68 H SER 68 0.744 -4.633 -8.520 550 HA SER 68 HA SER 68 -1.547 -3.791 -7.130 551 HB2 SER 68 2HB SER 68 -0.774 -1.493 -8.103 552 HB3 SER 68 3HB SER 68 0.094 -2.285 -6.818 553 HG SER 68 HG SER 68 1.692 -2.825 -8.124 554 H THR 69 H THR 69 -3.190 -2.309 -7.815 555 HA THR 69 HA THR 69 -4.317 -3.089 -10.454 556 HB THR 69 HB THR 69 -5.395 -4.197 -8.608 557 HG1 THR 69 1HG THR 69 -7.516 -3.422 -9.084 558 HG21 THR 69 1HG2 THR 69 -5.070 -2.236 -6.831 559 HG22 THR 69 2HG2 THR 69 -6.588 -1.642 -7.504 560 HG23 THR 69 3HG2 THR 69 -6.501 -3.246 -6.768 561 H ARG 70 H ARG 70 -4.706 -0.462 -7.987 562 HA ARG 70 HA ARG 70 -4.938 1.473 -10.258 563 HB2 ARG 70 2HB ARG 70 -5.835 1.631 -7.354 564 HB3 ARG 70 3HB ARG 70 -6.018 2.939 -8.517 565 HG2 ARG 70 2HG ARG 70 -7.250 0.196 -9.009 566 HG3 ARG 70 3HG ARG 70 -8.069 1.475 -8.101 567 HD2 ARG 70 2HD ARG 70 -8.143 2.942 -9.929 568 HD3 ARG 70 3HD ARG 70 -6.898 2.080 -10.830 569 HE ARG 70 HE ARG 70 -9.744 1.472 -10.662 570 HH11 ARG 70 2HH2 ARG 70 -6.547 0.097 -11.484 571 HH12 ARG 70 1HH2 ARG 70 -7.144 -0.933 -12.703 572 HH21 ARG 70 2HH1 ARG 70 -10.545 0.047 -12.301 573 HH22 ARG 70 1HH1 ARG 70 -9.467 -0.977 -13.179 574 H LEU 71 H LEU 71 -2.457 0.236 -8.487 575 HA LEU 71 HA LEU 71 -1.286 2.875 -8.037 576 HB2 LEU 71 2HB LEU 71 -0.389 0.643 -6.275 577 HB3 LEU 71 3HB LEU 71 -0.620 2.324 -5.925 578 HG LEU 71 HG LEU 71 -2.945 0.383 -6.085 579 HD11 LEU 71 1HD1 LEU 71 -1.415 1.343 -3.640 580 HD12 LEU 71 2HD1 LEU 71 -2.877 0.333 -3.656 581 HD13 LEU 71 3HD1 LEU 71 -1.361 -0.301 -4.316 582 HD21 LEU 71 3HD2 LEU 71 -4.092 2.117 -4.758 583 HD22 LEU 71 1HD2 LEU 71 -2.647 3.133 -4.776 584 HD23 LEU 71 2HD2 LEU 71 -3.542 2.823 -6.276 585 H GLN 72 H GLN 72 1.186 2.593 -8.127 586 HA GLN 72 HA GLN 72 2.036 0.223 -9.700 587 HB2 GLN 72 2HB GLN 72 2.403 3.159 -10.429 588 HB3 GLN 72 3HB GLN 72 3.580 1.937 -10.902 589 HG2 GLN 72 2HG GLN 72 2.129 2.204 -12.750 590 HG3 GLN 72 3HG GLN 72 1.778 0.633 -12.030 591 HE21 GLN 72 1HE2 GLN 72 -0.416 0.306 -12.455 592 HE22 GLN 72 2HE2 GLN 72 -1.647 1.500 -12.100 593 H VAL 73 H VAL 73 3.640 -0.691 -8.601 594 HA VAL 73 HA VAL 73 5.061 0.810 -6.504 595 HB VAL 73 HB VAL 73 4.021 -1.428 -6.044 596 HG11 VAL 73 1HG1 VAL 73 6.276 -2.546 -7.761 597 HG12 VAL 73 2HG1 VAL 73 5.129 -3.463 -6.780 598 HG13 VAL 73 3HG1 VAL 73 4.550 -2.568 -8.197 599 HG21 VAL 73 3HG2 VAL 73 5.761 -0.658 -4.557 600 HG22 VAL 73 1HG2 VAL 73 6.006 -2.379 -4.853 601 HG23 VAL 73 2HG2 VAL 73 7.028 -1.191 -5.682 602 H SER 74 H SER 74 7.225 1.255 -6.664 603 HA SER 74 HA SER 74 8.483 1.216 -9.265 604 HB2 SER 74 2HB SER 74 8.960 2.915 -7.476 605 HB3 SER 74 3HB SER 74 9.786 1.627 -6.557 606 HG SER 74 HG SER 74 11.145 2.966 -7.942 607 H GLU 75 H GLU 75 10.513 0.191 -9.714 608 HA GLU 75 HA GLU 75 10.496 -2.653 -9.370 609 HB2 GLU 75 2HB GLU 75 12.484 -0.603 -10.397 610 HB3 GLU 75 3HB GLU 75 12.873 -2.332 -10.365 611 HG2 GLU 75 2HG GLU 75 11.208 -2.898 -11.915 612 HG3 GLU 75 3HG GLU 75 10.262 -1.443 -11.609 613 H ASP 76 H ASP 76 11.580 -0.085 -7.242 614 HA ASP 76 HA ASP 76 13.675 -1.705 -6.000 615 HB2 ASP 76 2HB ASP 76 13.529 0.866 -6.072 616 HB3 ASP 76 3HB ASP 76 12.245 0.716 -4.864 617 H GLY 77 H GLY 77 10.175 -1.277 -5.767 618 HA2 GLY 77 2HA GLY 77 8.607 -2.104 -4.261 619 HA3 GLY 77 3HA GLY 77 9.784 -3.374 -3.886 620 H LYS 78 H LYS 78 10.372 0.088 -3.437 621 HA LYS 78 HA LYS 78 9.543 -0.088 -0.582 622 HB2 LYS 78 2HB LYS 78 12.055 1.243 -1.632 623 HB3 LYS 78 3HB LYS 78 11.268 1.759 -0.153 624 HG2 LYS 78 2HG LYS 78 12.817 0.280 0.677 625 HG3 LYS 78 3HG LYS 78 11.335 -0.675 0.634 626 HD2 LYS 78 2HD LYS 78 12.471 -1.121 -1.881 627 HD3 LYS 78 3HD LYS 78 13.882 -1.014 -0.836 628 HE2 LYS 78 2HE LYS 78 12.960 -2.774 0.621 629 HE3 LYS 78 3HE LYS 78 11.445 -2.770 -0.300 630 HZ1 LYS 78 3HZ LYS 78 12.686 -3.443 -2.242 631 HZ2 LYS 78 1HZ LYS 78 14.079 -3.507 -1.395 632 HZ3 LYS 78 2HZ LYS 78 12.843 -4.556 -1.038 633 H MET 79 H MET 79 8.552 1.057 -3.533 634 HA MET 79 HA MET 79 7.031 3.015 -2.020 635 HB2 MET 79 2HB MET 79 7.515 4.882 -3.605 636 HB3 MET 79 3HB MET 79 8.972 4.375 -2.750 637 HG2 MET 79 2HG MET 79 8.934 2.763 -5.032 638 HG3 MET 79 3HG MET 79 8.303 4.295 -5.615 639 HE1 MET 79 3HE MET 79 12.510 3.427 -3.900 640 HE2 MET 79 1HE MET 79 11.145 3.618 -2.777 641 HE3 MET 79 2HE MET 79 11.123 2.319 -3.977 642 H VAL 80 H VAL 80 5.041 3.596 -2.986 643 HA VAL 80 HA VAL 80 4.484 2.559 -5.629 644 HB VAL 80 HB VAL 80 3.876 0.635 -4.345 645 HG11 VAL 80 1HG1 VAL 80 3.831 1.506 -2.072 646 HG12 VAL 80 2HG1 VAL 80 2.388 2.479 -2.456 647 HG13 VAL 80 3HG1 VAL 80 2.282 0.727 -2.423 648 HG21 VAL 80 3HG2 VAL 80 2.149 1.472 -6.011 649 HG22 VAL 80 1HG2 VAL 80 1.564 0.365 -4.763 650 HG23 VAL 80 2HG2 VAL 80 1.247 2.106 -4.617 651 H ARG 81 H ARG 81 2.807 3.660 -6.582 652 HA ARG 81 HA ARG 81 1.916 6.159 -5.173 653 HB2 ARG 81 2HB ARG 81 2.148 7.327 -7.317 654 HB3 ARG 81 3HB ARG 81 3.678 6.574 -6.853 655 HG2 ARG 81 2HG ARG 81 2.554 4.571 -8.391 656 HG3 ARG 81 3HG ARG 81 1.852 5.974 -9.160 657 HD2 ARG 81 2HD ARG 81 4.767 6.243 -8.636 658 HD3 ARG 81 3HD ARG 81 4.363 4.809 -9.583 659 HE ARG 81 HE ARG 81 2.940 6.866 -10.774 660 HH11 ARG 81 2HH2 ARG 81 6.308 6.066 -10.124 661 HH12 ARG 81 1HH2 ARG 81 6.942 6.735 -11.585 662 HH21 ARG 81 2HH1 ARG 81 3.753 7.838 -12.741 663 HH22 ARG 81 1HH1 ARG 81 5.439 7.787 -13.102 664 H ARG 82 H ARG 82 -0.351 6.762 -5.666 665 HA ARG 82 HA ARG 82 -1.880 4.446 -6.685 666 HB2 ARG 82 2HB ARG 82 -3.327 6.955 -5.967 667 HB3 ARG 82 3HB ARG 82 -3.769 5.294 -5.757 668 HG2 ARG 82 2HG ARG 82 -3.363 5.608 -3.590 669 HG3 ARG 82 3HG ARG 82 -1.656 5.488 -3.966 670 HD2 ARG 82 2HD ARG 82 -3.355 8.013 -3.655 671 HD3 ARG 82 3HD ARG 82 -2.049 7.451 -2.631 672 HE ARG 82 HE ARG 82 -0.505 8.349 -3.914 673 HH11 ARG 82 2HH2 ARG 82 -3.647 8.927 -5.410 674 HH12 ARG 82 1HH2 ARG 82 -3.044 9.781 -6.775 675 HH21 ARG 82 2HH1 ARG 82 0.285 9.795 -5.451 676 HH22 ARG 82 1HH1 ARG 82 -0.767 10.559 -6.617 677 H LEU 83 H LEU 83 -4.032 5.924 -7.886 678 HA LEU 83 HA LEU 83 -2.777 6.538 -10.451 679 HB2 LEU 83 2HB LEU 83 -5.447 5.755 -9.444 680 HB3 LEU 83 3HB LEU 83 -5.568 7.089 -10.562 681 HG LEU 83 HG LEU 83 -4.262 4.398 -11.136 682 HD11 LEU 83 1HD1 LEU 83 -6.769 4.480 -10.980 683 HD12 LEU 83 2HD1 LEU 83 -6.782 5.710 -12.254 684 HD13 LEU 83 3HD1 LEU 83 -6.185 4.074 -12.609 685 HD21 LEU 83 3HD2 LEU 83 -4.224 5.206 -13.515 686 HD22 LEU 83 1HD2 LEU 83 -4.640 6.831 -12.949 687 HD23 LEU 83 2HD2 LEU 83 -3.091 6.078 -12.489 688 H ASP 84 H ASP 84 -3.554 8.497 -11.622 689 HA ASP 84 HA ASP 84 -3.084 10.900 -10.140 690 HB2 ASP 84 2HB ASP 84 -3.372 10.111 -12.936 691 HB3 ASP 84 3HB ASP 84 -4.306 11.571 -12.614 692 HA PRO 85 HA PRO 85 -7.736 11.806 -10.476 693 HB2 PRO 85 2HB PRO 85 -9.521 9.858 -11.235 694 HB3 PRO 85 3HB PRO 85 -8.717 10.958 -12.400 695 HG2 PRO 85 2HG PRO 85 -7.877 8.149 -11.619 696 HG3 PRO 85 3HG PRO 85 -8.080 8.820 -13.271 697 HD2 PRO 85 2HD PRO 85 -5.651 8.703 -12.112 698 HD3 PRO 85 3HD PRO 85 -6.114 10.133 -13.071 699 H LEU 86 H LEU 86 -9.121 11.611 -8.687 700 HA LEU 86 HA LEU 86 -8.083 10.048 -6.546 701 HB2 LEU 86 2HB LEU 86 -9.641 11.118 -5.178 702 HB3 LEU 86 3HB LEU 86 -9.254 12.302 -6.383 703 HG LEU 86 HG LEU 86 -11.682 10.648 -7.020 704 HD11 LEU 86 1HD1 LEU 86 -13.086 11.815 -5.385 705 HD12 LEU 86 2HD1 LEU 86 -11.895 10.785 -4.586 706 HD13 LEU 86 3HD1 LEU 86 -11.641 12.549 -4.644 707 HD21 LEU 86 3HD2 LEU 86 -12.602 12.850 -7.560 708 HD22 LEU 86 1HD2 LEU 86 -11.162 13.646 -6.894 709 HD23 LEU 86 2HD2 LEU 86 -11.035 12.631 -8.351 710 HA PRO 87 HA PRO 87 -10.398 6.326 -7.002 711 HB2 PRO 87 2HB PRO 87 -10.746 5.435 -4.458 712 HB3 PRO 87 3HB PRO 87 -9.134 5.496 -5.231 713 HG2 PRO 87 2HG PRO 87 -10.361 7.511 -3.318 714 HG3 PRO 87 3HG PRO 87 -8.714 6.817 -3.277 715 HD2 PRO 87 2HD PRO 87 -9.268 9.245 -4.384 716 HD3 PRO 87 3HD PRO 87 -7.987 8.189 -5.049 717 H GLU 88 H GLU 88 -12.561 5.405 -6.759 718 HA GLU 88 HA GLU 88 -14.627 7.169 -5.583 719 HB2 GLU 88 2HB GLU 88 -13.950 7.721 -8.058 720 HB3 GLU 88 3HB GLU 88 -14.842 6.273 -8.486 721 HG2 GLU 88 2HG GLU 88 -15.917 8.669 -6.919 722 HG3 GLU 88 3HG GLU 88 -16.139 8.407 -8.648 723 H ASN 89 H ASN 89 -14.734 5.418 -4.083 724 HA ASN 89 HA ASN 89 -15.268 3.362 -3.229 725 HB2 ASN 89 2HB ASN 89 -17.430 3.619 -5.348 726 HB3 ASN 89 3HB ASN 89 -17.417 2.400 -4.078 727 HD21 ASN 89 1HD2 ASN 89 -18.096 5.782 -4.747 728 HD22 ASN 89 2HD2 ASN 89 -18.667 6.143 -3.128 729 H ILE 90 H ILE 90 -13.061 2.901 -4.683 730 HA ILE 90 HA ILE 90 -13.803 0.855 -6.673 731 HB ILE 90 HB ILE 90 -11.185 2.202 -5.925 732 HG12 ILE 90 2HG1 ILE 90 -12.821 2.140 -8.510 733 HG13 ILE 90 3HG1 ILE 90 -12.916 3.417 -7.305 734 HG21 ILE 90 1HG2 ILE 90 -10.572 -0.089 -6.512 735 HG22 ILE 90 2HG2 ILE 90 -11.640 -0.060 -7.941 736 HG23 ILE 90 3HG2 ILE 90 -10.180 0.942 -7.867 737 HD11 ILE 90 3HD1 ILE 90 -10.459 3.870 -7.648 738 HD12 ILE 90 1HD1 ILE 90 -10.522 2.764 -9.043 739 HD13 ILE 90 2HD1 ILE 90 -11.511 4.226 -9.035 740 H ASP 91 H ASP 91 -12.665 -1.323 -6.511 741 HA ASP 91 HA ASP 91 -12.808 -2.278 -3.727 742 HB2 ASP 91 2HB ASP 91 -13.103 -4.469 -4.754 743 HB3 ASP 91 3HB ASP 91 -14.320 -3.348 -5.356 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -3.089 -16.811 1.096 2 H2 MET 1 H2 MET 1 -1.761 -16.316 1.928 3 H3 MET 1 H3 MET 1 -2.122 -15.651 0.460 4 HA MET 1 HA MET 1 -0.313 -17.141 0.250 5 HB2 MET 1 2HB MET 1 -0.612 -19.533 0.598 6 HB3 MET 1 3HB MET 1 -0.728 -18.610 2.093 7 HG2 MET 1 2HG MET 1 -3.139 -19.631 0.533 8 HG3 MET 1 3HG MET 1 -2.363 -20.487 1.862 9 HE1 MET 1 1HE MET 1 -5.575 -19.545 3.705 10 HE2 MET 1 2HE MET 1 -5.320 -20.222 2.079 11 HE3 MET 1 3HE MET 1 -4.329 -20.785 3.447 12 H SER 2 H SER 2 -3.792 -17.294 -0.830 13 HA SER 2 HA SER 2 -2.819 -18.497 -3.352 14 HB2 SER 2 2HB SER 2 -5.286 -19.006 -3.542 15 HB3 SER 2 3HB SER 2 -4.489 -19.797 -2.169 16 HG SER 2 HG SER 2 -6.571 -18.414 -2.008 17 H GLU 3 H GLU 3 -4.639 -17.708 -5.140 18 HA GLU 3 HA GLU 3 -4.227 -14.906 -5.609 19 HB2 GLU 3 2HB GLU 3 -5.558 -17.161 -6.954 20 HB3 GLU 3 3HB GLU 3 -6.550 -15.697 -7.012 21 HG2 GLU 3 2HG GLU 3 -4.602 -14.400 -7.850 22 HG3 GLU 3 3HG GLU 3 -3.630 -15.878 -7.852 23 H GLU 4 H GLU 4 -6.938 -16.714 -4.024 24 HA GLU 4 HA GLU 4 -8.599 -14.437 -3.790 25 HB2 GLU 4 2HB GLU 4 -8.266 -16.581 -1.646 26 HB3 GLU 4 3HB GLU 4 -9.600 -15.449 -1.836 27 HG2 GLU 4 2HG GLU 4 -10.627 -17.115 -2.932 28 HG3 GLU 4 3HG GLU 4 -9.646 -16.617 -4.313 29 H THR 5 H THR 5 -5.775 -15.458 -1.789 30 HA THR 5 HA THR 5 -6.191 -13.307 0.085 31 HB THR 5 HB THR 5 -3.476 -14.496 -0.514 32 HG1 THR 5 1HG THR 5 -5.682 -15.816 0.599 33 HG21 THR 5 1HG2 THR 5 -3.344 -14.369 2.026 34 HG22 THR 5 2HG2 THR 5 -3.552 -12.806 1.222 35 HG23 THR 5 3HG2 THR 5 -4.933 -13.596 2.004 36 H SER 6 H SER 6 -4.045 -13.671 -2.763 37 HA SER 6 HA SER 6 -2.660 -11.243 -2.328 38 HB2 SER 6 2HB SER 6 -1.945 -13.143 -3.847 39 HB3 SER 6 3HB SER 6 -3.213 -12.650 -4.983 40 HG SER 6 HG SER 6 -0.927 -11.173 -4.159 41 H THR 7 H THR 7 -5.517 -11.986 -4.248 42 HA THR 7 HA THR 7 -5.908 -9.306 -5.157 43 HB THR 7 HB THR 7 -7.820 -11.675 -5.074 44 HG1 THR 7 1HG THR 7 -6.092 -10.740 -7.132 45 HG21 THR 7 1HG2 THR 7 -7.876 -9.119 -6.746 46 HG22 THR 7 2HG2 THR 7 -8.880 -10.557 -7.049 47 HG23 THR 7 3HG2 THR 7 -9.082 -9.645 -5.546 48 H GLN 8 H GLN 8 -7.120 -11.066 -2.331 49 HA GLN 8 HA GLN 8 -9.123 -9.098 -1.579 50 HB2 GLN 8 2HB GLN 8 -7.504 -11.209 -0.112 51 HB3 GLN 8 3HB GLN 8 -8.472 -10.066 0.786 52 HG2 GLN 8 2HG GLN 8 -9.712 -11.661 -1.482 53 HG3 GLN 8 3HG GLN 8 -9.515 -12.358 0.135 54 HE21 GLN 8 1HE2 GLN 8 -11.927 -12.519 0.090 55 HE22 GLN 8 2HE2 GLN 8 -12.824 -11.076 0.539 56 H ILE 9 H ILE 9 -5.621 -9.465 -1.189 57 HA ILE 9 HA ILE 9 -5.567 -7.285 0.730 58 HB ILE 9 HB ILE 9 -3.993 -9.440 0.490 59 HG12 ILE 9 2HG1 ILE 9 -3.291 -6.692 1.560 60 HG13 ILE 9 3HG1 ILE 9 -4.276 -7.888 2.396 61 HG21 ILE 9 1HG2 ILE 9 -2.179 -7.224 -0.500 62 HG22 ILE 9 2HG2 ILE 9 -1.802 -8.951 -0.259 63 HG23 ILE 9 3HG2 ILE 9 -2.835 -8.461 -1.586 64 HD11 ILE 9 3HD1 ILE 9 -2.326 -9.438 2.404 65 HD12 ILE 9 1HD1 ILE 9 -1.308 -8.128 1.734 66 HD13 ILE 9 2HD1 ILE 9 -2.049 -7.941 3.319 67 H LEU 10 H LEU 10 -4.951 -7.849 -2.655 68 HA LEU 10 HA LEU 10 -3.663 -5.466 -3.387 69 HB2 LEU 10 2HB LEU 10 -4.590 -7.677 -4.740 70 HB3 LEU 10 3HB LEU 10 -5.789 -6.526 -5.245 71 HG LEU 10 HG LEU 10 -3.348 -5.136 -5.518 72 HD11 LEU 10 1HD1 LEU 10 -1.863 -6.690 -6.624 73 HD12 LEU 10 2HD1 LEU 10 -2.256 -7.360 -5.036 74 HD13 LEU 10 3HD1 LEU 10 -3.033 -8.016 -6.494 75 HD21 LEU 10 3HD2 LEU 10 -3.776 -5.356 -7.902 76 HD22 LEU 10 1HD2 LEU 10 -4.775 -6.796 -7.647 77 HD23 LEU 10 2HD2 LEU 10 -5.337 -5.218 -7.078 78 H LYS 11 H LYS 11 -7.129 -6.252 -3.348 79 HA LYS 11 HA LYS 11 -7.966 -3.542 -4.015 80 HB2 LYS 11 2HB LYS 11 -9.437 -5.977 -2.946 81 HB3 LYS 11 3HB LYS 11 -10.248 -4.452 -3.359 82 HG2 LYS 11 2HG LYS 11 -9.862 -4.672 -5.646 83 HG3 LYS 11 3HG LYS 11 -8.380 -5.593 -5.428 84 HD2 LYS 11 2HD LYS 11 -9.909 -7.104 -6.355 85 HD3 LYS 11 3HD LYS 11 -9.753 -7.547 -4.645 86 HE2 LYS 11 2HE LYS 11 -11.856 -6.244 -4.178 87 HE3 LYS 11 3HE LYS 11 -12.005 -5.939 -5.920 88 HZ1 LYS 11 3HZ LYS 11 -12.003 -8.595 -4.631 89 HZ2 LYS 11 1HZ LYS 11 -13.317 -7.831 -5.268 90 HZ3 LYS 11 2HZ LYS 11 -12.098 -8.327 -6.255 91 H GLN 12 H GLN 12 -7.164 -5.233 -1.043 92 HA GLN 12 HA GLN 12 -8.285 -3.196 0.665 93 HB2 GLN 12 2HB GLN 12 -6.616 -5.577 1.087 94 HB3 GLN 12 3HB GLN 12 -6.383 -4.282 2.246 95 HG2 GLN 12 2HG GLN 12 -9.137 -5.334 1.537 96 HG3 GLN 12 3HG GLN 12 -8.150 -6.007 2.842 97 HE21 GLN 12 1HE2 GLN 12 -10.786 -4.201 2.721 98 HE22 GLN 12 2HE2 GLN 12 -10.362 -2.927 3.854 99 H VAL 13 H VAL 13 -5.191 -3.506 -1.069 100 HA VAL 13 HA VAL 13 -3.820 -1.422 0.409 101 HB VAL 13 HB VAL 13 -3.447 -2.803 -2.256 102 HG11 VAL 13 1HG1 VAL 13 -1.587 -0.681 -1.108 103 HG12 VAL 13 2HG1 VAL 13 -1.342 -1.641 -2.591 104 HG13 VAL 13 3HG1 VAL 13 -2.641 -0.459 -2.518 105 HG21 VAL 13 3HG2 VAL 13 -2.776 -4.061 -0.224 106 HG22 VAL 13 1HG2 VAL 13 -1.386 -3.664 -1.230 107 HG23 VAL 13 2HG2 VAL 13 -1.710 -2.729 0.246 108 H GLU 14 H GLU 14 -5.689 -1.584 -2.667 109 HA GLU 14 HA GLU 14 -5.653 1.193 -3.100 110 HB2 GLU 14 2HB GLU 14 -6.362 -0.438 -4.784 111 HB3 GLU 14 3HB GLU 14 -7.793 -0.866 -3.858 112 HG2 GLU 14 2HG GLU 14 -7.384 2.032 -4.658 113 HG3 GLU 14 3HG GLU 14 -7.807 0.860 -5.899 114 H TYR 15 H TYR 15 -7.882 -0.754 -1.109 115 HA TYR 15 HA TYR 15 -9.870 1.084 -0.766 116 HB2 TYR 15 2HB TYR 15 -10.391 -1.077 -0.128 117 HB3 TYR 15 3HB TYR 15 -8.832 -1.308 0.649 118 HD1 TYR 15 HD2 TYR 15 -12.042 0.513 1.127 119 HD2 TYR 15 HD1 TYR 15 -8.423 -1.044 2.890 120 HE1 TYR 15 HE2 TYR 15 -12.787 1.293 3.340 121 HE2 TYR 15 HE1 TYR 15 -9.132 -0.279 5.075 122 HH TYR 15 HH TYR 15 -11.905 1.898 5.475 123 H TYR 16 H TYR 16 -6.852 0.681 1.155 124 HA TYR 16 HA TYR 16 -7.553 2.468 3.262 125 HB2 TYR 16 2HB TYR 16 -4.863 1.704 2.078 126 HB3 TYR 16 3HB TYR 16 -5.030 2.814 3.417 127 HD1 TYR 16 HD1 TYR 16 -6.471 1.971 5.461 128 HD2 TYR 16 HD2 TYR 16 -4.591 -0.564 2.529 129 HE1 TYR 16 HE1 TYR 16 -6.164 0.228 7.173 130 HE2 TYR 16 HE2 TYR 16 -4.305 -2.324 4.257 131 HH TYR 16 HH TYR 16 -4.387 -1.744 7.522 132 H PHE 17 H PHE 17 -6.467 3.185 -0.014 133 HA PHE 17 HA PHE 17 -6.428 6.077 0.600 134 HB2 PHE 17 2HB PHE 17 -5.785 4.468 -1.900 135 HB3 PHE 17 3HB PHE 17 -5.795 6.233 -1.808 136 HD1 PHE 17 1HD PHE 17 -3.998 3.172 -0.635 137 HD2 PHE 17 2HD PHE 17 -4.073 7.491 -0.729 138 HE1 PHE 17 1HE PHE 17 -1.688 3.256 0.281 139 HE2 PHE 17 2HE PHE 17 -1.804 7.550 0.197 140 HZ PHE 17 HZ PHE 17 -0.617 5.467 0.749 141 H SER 18 H SER 18 -8.443 3.668 -0.941 142 HA SER 18 HA SER 18 -9.954 5.352 -2.627 143 HB2 SER 18 2HB SER 18 -9.551 2.824 -2.570 144 HB3 SER 18 3HB SER 18 -10.926 2.752 -1.453 145 HG SER 18 HG SER 18 -11.145 2.560 -3.892 146 H ASP 19 H ASP 19 -10.233 4.368 0.698 147 HA ASP 19 HA ASP 19 -12.945 5.321 1.145 148 HB2 ASP 19 2HB ASP 19 -11.663 3.293 2.052 149 HB3 ASP 19 3HB ASP 19 -10.701 4.416 3.008 150 H SER 20 H SER 20 -10.554 7.124 0.301 151 HA SER 20 HA SER 20 -9.400 8.936 0.853 152 HB2 SER 20 2HB SER 20 -10.795 10.833 1.371 153 HB3 SER 20 3HB SER 20 -11.645 9.722 0.272 154 HG SER 20 HG SER 20 -12.269 9.034 2.756 155 H ASN 21 H ASN 21 -9.173 6.798 2.849 156 HA ASN 21 HA ASN 21 -9.180 8.268 5.381 157 HB2 ASN 21 2HB ASN 21 -10.068 5.919 5.133 158 HB3 ASN 21 3HB ASN 21 -8.386 5.384 4.932 159 HD21 ASN 21 1HD2 ASN 21 -8.318 4.204 6.919 160 HD22 ASN 21 2HD2 ASN 21 -8.066 5.110 8.388 161 H PHE 22 H PHE 22 -6.843 7.443 2.867 162 HA PHE 22 HA PHE 22 -4.513 7.409 4.406 163 HB2 PHE 22 2HB PHE 22 -3.752 7.061 2.361 164 HB3 PHE 22 3HB PHE 22 -5.215 7.679 1.630 165 HD1 PHE 22 2HD PHE 22 -2.002 8.942 3.179 166 HD2 PHE 22 1HD PHE 22 -5.086 9.527 0.223 167 HE1 PHE 22 2HE PHE 22 -0.823 10.936 2.321 168 HE2 PHE 22 1HE PHE 22 -3.953 11.518 -0.583 169 HZ PHE 22 HZ PHE 22 -1.780 12.255 0.448 170 HA PRO 23 HA PRO 23 -4.030 12.071 4.117 171 HB2 PRO 23 2HB PRO 23 -6.204 13.747 3.800 172 HB3 PRO 23 3HB PRO 23 -5.213 13.107 2.444 173 HG2 PRO 23 2HG PRO 23 -7.896 12.171 3.437 174 HG3 PRO 23 3HG PRO 23 -7.291 12.267 1.754 175 HD2 PRO 23 2HD PRO 23 -7.361 9.983 3.330 176 HD3 PRO 23 3HD PRO 23 -6.302 10.177 1.926 177 H ARG 24 H ARG 24 -6.621 10.457 5.708 178 HA ARG 24 HA ARG 24 -6.901 12.379 7.908 179 HB2 ARG 24 2HB ARG 24 -8.799 11.135 6.681 180 HB3 ARG 24 3HB ARG 24 -8.182 9.649 7.418 181 HG2 ARG 24 2HG ARG 24 -8.518 10.660 9.663 182 HG3 ARG 24 3HG ARG 24 -9.192 12.112 8.881 183 HD2 ARG 24 2HD ARG 24 -11.040 10.878 7.964 184 HD3 ARG 24 3HD ARG 24 -10.301 9.322 8.332 185 HE ARG 24 HE ARG 24 -11.819 11.030 10.113 186 HH11 ARG 24 2HH2 ARG 24 -9.444 8.367 9.908 187 HH12 ARG 24 1HH2 ARG 24 -9.626 7.870 11.532 188 HH21 ARG 24 2HH1 ARG 24 -12.099 10.352 12.308 189 HH22 ARG 24 1HH1 ARG 24 -11.224 9.003 12.934 190 H ASP 25 H ASP 25 -5.469 9.215 7.121 191 HA ASP 25 HA ASP 25 -4.869 8.685 9.951 192 HB2 ASP 25 2HB ASP 25 -4.971 7.051 7.435 193 HB3 ASP 25 3HB ASP 25 -3.932 6.525 8.764 194 H LYS 26 H LYS 26 -3.314 9.851 10.539 195 HA LYS 26 HA LYS 26 -1.146 10.922 9.216 196 HB2 LYS 26 2HB LYS 26 -1.057 10.105 12.139 197 HB3 LYS 26 3HB LYS 26 -0.099 11.341 11.320 198 HG2 LYS 26 2HG LYS 26 -1.690 12.777 12.084 199 HG3 LYS 26 3HG LYS 26 -2.588 12.230 10.669 200 HD2 LYS 26 2HD LYS 26 -3.423 10.319 12.374 201 HD3 LYS 26 3HD LYS 26 -2.932 11.505 13.584 202 HE2 LYS 26 2HE LYS 26 -4.416 13.189 12.615 203 HE3 LYS 26 3HE LYS 26 -4.758 12.147 11.225 204 HZ1 LYS 26 3HZ LYS 26 -6.530 12.081 12.815 205 HZ2 LYS 26 1HZ LYS 26 -5.841 10.604 12.666 206 HZ3 LYS 26 2HZ LYS 26 -5.524 11.530 14.002 207 H PHE 27 H PHE 27 -1.493 7.620 10.212 208 HA PHE 27 HA PHE 27 1.210 6.724 10.113 209 HB2 PHE 27 2HB PHE 27 -0.870 5.474 10.886 210 HB3 PHE 27 3HB PHE 27 -1.350 5.310 9.206 211 HD1 PHE 27 2HD PHE 27 1.680 4.779 11.371 212 HD2 PHE 27 1HD PHE 27 -0.780 3.230 8.181 213 HE1 PHE 27 2HE PHE 27 3.061 2.749 11.298 214 HE2 PHE 27 1HE PHE 27 0.600 1.169 8.131 215 HZ PHE 27 HZ PHE 27 2.501 0.903 9.697 216 H LEU 28 H LEU 28 -1.316 6.926 7.502 217 HA LEU 28 HA LEU 28 0.641 6.098 5.503 218 HB2 LEU 28 2HB LEU 28 -2.073 7.454 5.167 219 HB3 LEU 28 3HB LEU 28 -1.018 6.932 3.869 220 HG LEU 28 HG LEU 28 -1.166 4.667 5.533 221 HD11 LEU 28 1HD1 LEU 28 -3.276 4.422 6.351 222 HD12 LEU 28 2HD1 LEU 28 -3.333 6.154 6.289 223 HD13 LEU 28 3HD1 LEU 28 -4.037 5.217 4.950 224 HD21 LEU 28 3HD2 LEU 28 -2.282 3.690 3.543 225 HD22 LEU 28 1HD2 LEU 28 -2.619 5.303 2.933 226 HD23 LEU 28 2HD2 LEU 28 -0.943 4.733 3.090 227 H ARG 29 H ARG 29 -0.914 9.205 6.370 228 HA ARG 29 HA ARG 29 0.481 10.804 4.571 229 HB2 ARG 29 2HB ARG 29 -0.709 11.434 7.265 230 HB3 ARG 29 3HB ARG 29 0.309 12.623 6.452 231 HG2 ARG 29 2HG ARG 29 -1.159 12.187 4.366 232 HG3 ARG 29 3HG ARG 29 -2.308 11.461 5.493 233 HD2 ARG 29 2HD ARG 29 -2.702 13.492 6.604 234 HD3 ARG 29 3HD ARG 29 -1.151 14.184 6.148 235 HE ARG 29 HE ARG 29 -3.607 14.371 4.723 236 HH11 ARG 29 2HH2 ARG 29 -0.097 14.186 4.288 237 HH12 ARG 29 1HH2 ARG 29 -0.054 14.947 2.743 238 HH21 ARG 29 2HH1 ARG 29 -3.573 15.461 2.614 239 HH22 ARG 29 1HH1 ARG 29 -2.076 15.718 1.794 240 H SER 30 H SER 30 1.841 9.466 7.585 241 HA SER 30 HA SER 30 4.063 11.279 7.629 242 HB2 SER 30 2HB SER 30 3.405 9.720 9.512 243 HB3 SER 30 3HB SER 30 3.897 8.342 8.513 244 HG SER 30 HG SER 30 5.573 8.938 9.882 245 H GLU 31 H GLU 31 3.529 8.126 5.997 246 HA GLU 31 HA GLU 31 6.207 8.290 4.863 247 HB2 GLU 31 2HB GLU 31 4.536 6.216 5.522 248 HB3 GLU 31 3HB GLU 31 4.287 6.295 3.781 249 HG2 GLU 31 2HG GLU 31 6.084 4.733 4.384 250 HG3 GLU 31 3HG GLU 31 6.694 6.058 3.394 251 H ALA 32 H ALA 32 2.924 8.758 3.623 252 HA ALA 32 HA ALA 32 3.612 9.298 0.937 253 HB1 ALA 32 1HB ALA 32 1.330 8.907 1.661 254 HB2 ALA 32 2HB ALA 32 1.398 10.304 2.758 255 HB3 ALA 32 3HB ALA 32 1.411 10.551 1.013 256 H ALA 33 H ALA 33 3.867 11.309 3.894 257 HA ALA 33 HA ALA 33 4.233 13.804 2.595 258 HB1 ALA 33 1HB ALA 33 5.290 14.463 4.797 259 HB2 ALA 33 2HB ALA 33 3.669 13.777 4.921 260 HB3 ALA 33 3HB ALA 33 5.081 12.785 5.341 261 H LYS 34 H LYS 34 6.377 11.094 2.435 262 HA LYS 34 HA LYS 34 8.779 12.775 2.283 263 HB2 LYS 34 2HB LYS 34 8.152 9.862 2.257 264 HB3 LYS 34 3HB LYS 34 9.352 10.331 1.091 265 HG2 LYS 34 2HG LYS 34 10.510 9.729 3.076 266 HG3 LYS 34 3HG LYS 34 10.664 11.473 2.886 267 HD2 LYS 34 2HD LYS 34 10.287 10.859 5.221 268 HD3 LYS 34 3HD LYS 34 8.913 11.811 4.629 269 HE2 LYS 34 2HE LYS 34 7.541 9.850 4.390 270 HE3 LYS 34 3HE LYS 34 8.924 8.760 4.591 271 HZ1 LYS 34 3HZ LYS 34 7.586 8.834 6.533 272 HZ2 LYS 34 1HZ LYS 34 9.055 9.448 6.897 273 HZ3 LYS 34 2HZ LYS 34 7.721 10.445 6.683 274 H ASN 35 H ASN 35 6.175 11.855 0.131 275 HA ASN 35 HA ASN 35 7.062 13.817 -1.736 276 HB2 ASN 35 2HB ASN 35 7.345 10.926 -2.574 277 HB3 ASN 35 3HB ASN 35 6.858 12.148 -3.749 278 HD21 ASN 35 1HD2 ASN 35 9.518 10.513 -3.195 279 HD22 ASN 35 2HD2 ASN 35 10.670 11.811 -3.479 280 H VAL 36 H VAL 36 4.951 14.359 -0.616 281 HA VAL 36 HA VAL 36 2.760 14.763 -0.726 282 HB VAL 36 HB VAL 36 3.248 14.014 -3.614 283 HG11 VAL 36 1HG1 VAL 36 0.822 15.396 -2.384 284 HG12 VAL 36 2HG1 VAL 36 1.183 15.296 -4.125 285 HG13 VAL 36 3HG1 VAL 36 0.827 13.827 -3.224 286 HG21 VAL 36 3HG2 VAL 36 3.274 16.457 -3.926 287 HG22 VAL 36 1HG2 VAL 36 3.033 16.692 -2.182 288 HG23 VAL 36 2HG2 VAL 36 4.531 15.947 -2.792 289 H ASP 37 H ASP 37 2.761 12.019 -2.919 290 HA ASP 37 HA ASP 37 1.869 10.103 -0.998 291 HB2 ASP 37 2HB ASP 37 -0.304 11.396 -1.391 292 HB3 ASP 37 3HB ASP 37 -0.280 10.784 -3.049 293 H ASN 38 H ASN 38 3.933 10.417 -2.869 294 HA ASN 38 HA ASN 38 3.393 8.343 -4.923 295 HB2 ASN 38 2HB ASN 38 5.331 10.687 -4.952 296 HB3 ASN 38 3HB ASN 38 5.261 9.425 -6.183 297 HD21 ASN 38 1HD2 ASN 38 3.739 9.651 -7.877 298 HD22 ASN 38 2HD2 ASN 38 2.516 10.910 -7.848 299 H TYR 39 H TYR 39 4.647 8.532 -1.897 300 HA TYR 39 HA TYR 39 6.627 6.472 -2.503 301 HB2 TYR 39 2HB TYR 39 7.796 8.718 -2.358 302 HB3 TYR 39 3HB TYR 39 7.281 8.821 -0.675 303 HD1 TYR 39 HD1 TYR 39 7.951 6.679 0.833 304 HD2 TYR 39 HD2 TYR 39 9.856 7.777 -2.888 305 HE1 TYR 39 HE1 TYR 39 9.886 5.266 1.403 306 HE2 TYR 39 HE2 TYR 39 11.833 6.421 -2.272 307 HH TYR 39 HH TYR 39 11.905 4.384 0.650 308 H ILE 40 H ILE 40 5.980 4.781 -1.261 309 HA ILE 40 HA ILE 40 5.005 5.280 1.471 310 HB ILE 40 HB ILE 40 3.459 3.499 -0.433 311 HG12 ILE 40 2HG1 ILE 40 2.468 6.228 0.450 312 HG13 ILE 40 3HG1 ILE 40 3.266 6.009 -1.104 313 HG21 ILE 40 1HG2 ILE 40 1.797 3.497 1.372 314 HG22 ILE 40 2HG2 ILE 40 3.373 3.048 2.027 315 HG23 ILE 40 3HG2 ILE 40 2.750 4.690 2.279 316 HD11 ILE 40 3HD1 ILE 40 0.870 4.316 -0.482 317 HD12 ILE 40 1HD1 ILE 40 0.748 5.973 -1.137 318 HD13 ILE 40 2HD1 ILE 40 1.596 4.741 -2.042 319 H SER 41 H SER 41 6.745 4.142 2.478 320 HA SER 41 HA SER 41 8.159 2.083 1.354 321 HB2 SER 41 2HB SER 41 7.626 2.743 4.272 322 HB3 SER 41 3HB SER 41 9.010 1.814 3.644 323 HG SER 41 HG SER 41 9.092 4.280 4.000 324 H ILE 42 H ILE 42 8.037 -0.122 1.394 325 HA ILE 42 HA ILE 42 5.559 -1.418 1.949 326 HB ILE 42 HB ILE 42 6.711 -3.493 1.624 327 HG12 ILE 42 2HG1 ILE 42 9.349 -2.863 0.896 328 HG13 ILE 42 3HG1 ILE 42 9.121 -1.972 2.402 329 HG21 ILE 42 1HG2 ILE 42 6.076 -1.993 -0.259 330 HG22 ILE 42 2HG2 ILE 42 7.743 -1.422 -0.345 331 HG23 ILE 42 3HG2 ILE 42 7.373 -3.136 -0.645 332 HD11 ILE 42 3HD1 ILE 42 8.309 -4.088 3.486 333 HD12 ILE 42 1HD1 ILE 42 8.619 -4.950 1.960 334 HD13 ILE 42 2HD1 ILE 42 9.965 -4.227 2.862 335 H ASP 43 H ASP 43 7.966 -0.265 4.130 336 HA ASP 43 HA ASP 43 7.522 -2.122 6.230 337 HB2 ASP 43 2HB ASP 43 8.225 0.848 6.297 338 HB3 ASP 43 3HB ASP 43 8.281 -0.238 7.693 339 H VAL 44 H VAL 44 5.752 0.869 5.203 340 HA VAL 44 HA VAL 44 4.019 0.894 7.505 341 HB VAL 44 HB VAL 44 4.514 2.450 5.012 342 HG11 VAL 44 1HG1 VAL 44 2.376 3.656 5.117 343 HG12 VAL 44 2HG1 VAL 44 2.220 2.001 4.528 344 HG13 VAL 44 3HG1 VAL 44 1.726 2.397 6.195 345 HG21 VAL 44 3HG2 VAL 44 3.586 3.205 7.811 346 HG22 VAL 44 1HG2 VAL 44 5.285 3.077 7.289 347 HG23 VAL 44 2HG2 VAL 44 4.220 4.300 6.575 348 H ILE 45 H ILE 45 3.788 -0.221 4.095 349 HA ILE 45 HA ILE 45 1.049 -1.030 4.424 350 HB ILE 45 HB ILE 45 2.998 -2.124 2.426 351 HG12 ILE 45 2HG1 ILE 45 1.269 0.167 1.536 352 HG13 ILE 45 3HG1 ILE 45 2.489 0.642 2.669 353 HG21 ILE 45 1HG2 ILE 45 0.709 -3.160 2.534 354 HG22 ILE 45 2HG2 ILE 45 -0.016 -1.587 2.212 355 HG23 ILE 45 3HG2 ILE 45 0.999 -2.366 0.978 356 HD11 ILE 45 3HD1 ILE 45 3.930 -0.910 0.799 357 HD12 ILE 45 1HD1 ILE 45 2.779 0.032 -0.150 358 HD13 ILE 45 2HD1 ILE 45 3.894 0.842 0.947 359 H ALA 46 H ALA 46 4.155 -2.742 4.836 360 HA ALA 46 HA ALA 46 2.914 -5.299 5.326 361 HB1 ALA 46 1HB ALA 46 5.313 -5.084 4.654 362 HB2 ALA 46 2HB ALA 46 5.658 -4.263 6.193 363 HB3 ALA 46 3HB ALA 46 5.122 -5.958 6.190 364 H SER 47 H SER 47 3.558 -2.411 7.228 365 HA SER 47 HA SER 47 2.834 -3.848 9.728 366 HB2 SER 47 2HB SER 47 4.933 -2.401 9.483 367 HB3 SER 47 3HB SER 47 3.833 -1.005 9.463 368 HG SER 47 HG SER 47 4.344 -1.320 11.559 369 H PHE 48 H PHE 48 0.981 -2.848 7.348 370 HA PHE 48 HA PHE 48 -0.586 -0.829 8.630 371 HB2 PHE 48 2HB PHE 48 -0.319 -1.861 6.098 372 HB3 PHE 48 3HB PHE 48 -1.891 -2.503 6.536 373 HD1 PHE 48 1HD PHE 48 -2.579 0.131 8.272 374 HD2 PHE 48 2HD PHE 48 -1.173 -0.705 4.270 375 HE1 PHE 48 1HE PHE 48 -3.651 2.199 7.447 376 HE2 PHE 48 2HE PHE 48 -2.241 1.360 3.460 377 HZ PHE 48 HZ PHE 48 -3.533 2.770 5.042 378 H ASN 49 H ASN 49 -0.287 -3.405 10.203 379 HA ASN 49 HA ASN 49 -1.315 -5.108 11.213 380 HB2 ASN 49 2HB ASN 49 -3.503 -3.001 11.384 381 HB3 ASN 49 3HB ASN 49 -3.543 -4.544 12.248 382 HD21 ASN 49 1HD2 ASN 49 -3.104 -4.030 14.442 383 HD22 ASN 49 2HD2 ASN 49 -1.719 -3.037 14.873 384 H ARG 50 H ARG 50 -4.203 -3.912 9.477 385 HA ARG 50 HA ARG 50 -5.364 -6.419 9.038 386 HB2 ARG 50 2HB ARG 50 -6.055 -3.808 8.472 387 HB3 ARG 50 3HB ARG 50 -5.697 -4.422 6.849 388 HG2 ARG 50 2HG ARG 50 -7.279 -6.375 7.409 389 HG3 ARG 50 3HG ARG 50 -7.770 -5.404 8.820 390 HD2 ARG 50 2HD ARG 50 -8.087 -3.459 7.098 391 HD3 ARG 50 3HD ARG 50 -7.942 -4.703 5.869 392 HE ARG 50 HE ARG 50 -10.000 -5.565 6.399 393 HH11 ARG 50 2HH2 ARG 50 -9.152 -3.031 8.709 394 HH12 ARG 50 1HH2 ARG 50 -10.727 -2.901 9.405 395 HH21 ARG 50 2HH1 ARG 50 -12.122 -5.444 7.342 396 HH22 ARG 50 1HH1 ARG 50 -12.452 -4.314 8.604 397 H MET 51 H MET 51 -3.020 -4.676 7.066 398 HA MET 51 HA MET 51 -2.837 -6.439 4.832 399 HB2 MET 51 2HB MET 51 -0.852 -4.588 6.197 400 HB3 MET 51 3HB MET 51 -0.420 -5.531 4.761 401 HG2 MET 51 2HG MET 51 -2.849 -3.738 4.821 402 HG3 MET 51 3HG MET 51 -1.253 -3.134 4.358 403 HE1 MET 51 3HE MET 51 -4.442 -4.386 3.249 404 HE2 MET 51 1HE MET 51 -3.872 -3.006 2.259 405 HE3 MET 51 2HE MET 51 -4.192 -4.571 1.501 406 H LYS 52 H LYS 52 -0.818 -6.284 7.835 407 HA LYS 52 HA LYS 52 0.766 -8.513 7.205 408 HB2 LYS 52 2HB LYS 52 1.188 -6.801 8.974 409 HB3 LYS 52 3HB LYS 52 -0.046 -7.533 9.989 410 HG2 LYS 52 2HG LYS 52 1.244 -9.468 10.371 411 HG3 LYS 52 3HG LYS 52 2.183 -9.271 8.878 412 HD2 LYS 52 2HD LYS 52 3.434 -7.436 9.767 413 HD3 LYS 52 3HD LYS 52 2.400 -7.331 11.209 414 HE2 LYS 52 2HE LYS 52 3.155 -9.493 12.001 415 HE3 LYS 52 3HE LYS 52 4.034 -9.803 10.495 416 HZ1 LYS 52 3HZ LYS 52 5.524 -8.025 11.027 417 HZ2 LYS 52 1HZ LYS 52 4.679 -7.625 12.382 418 HZ3 LYS 52 2HZ LYS 52 5.474 -9.063 12.301 419 H THR 53 H THR 53 -2.460 -8.371 8.770 420 HA THR 53 HA THR 53 -2.421 -11.183 9.415 421 HB THR 53 HB THR 53 -4.864 -10.707 9.926 422 HG1 THR 53 1HG THR 53 -4.989 -8.840 8.428 423 HG21 THR 53 1HG2 THR 53 -2.735 -8.818 11.027 424 HG22 THR 53 2HG2 THR 53 -4.249 -9.266 11.845 425 HG23 THR 53 3HG2 THR 53 -2.992 -10.496 11.551 426 H ILE 54 H ILE 54 -3.867 -9.281 6.676 427 HA ILE 54 HA ILE 54 -5.319 -11.619 5.723 428 HB ILE 54 HB ILE 54 -4.552 -8.970 4.468 429 HG12 ILE 54 2HG1 ILE 54 -6.296 -8.805 6.166 430 HG13 ILE 54 3HG1 ILE 54 -6.849 -8.365 4.550 431 HG21 ILE 54 1HG2 ILE 54 -6.138 -9.572 2.587 432 HG22 ILE 54 2HG2 ILE 54 -4.597 -10.435 2.582 433 HG23 ILE 54 3HG2 ILE 54 -6.047 -11.257 3.156 434 HD11 ILE 54 3HD1 ILE 54 -8.541 -9.696 5.629 435 HD12 ILE 54 1HD1 ILE 54 -7.823 -10.664 4.328 436 HD13 ILE 54 2HD1 ILE 54 -7.360 -10.966 6.021 437 H SER 55 H SER 55 -2.161 -10.208 5.188 438 HA SER 55 HA SER 55 -1.536 -12.018 2.954 439 HB2 SER 55 2HB SER 55 -0.437 -9.572 3.991 440 HB3 SER 55 3HB SER 55 0.809 -10.795 4.195 441 HG SER 55 HG SER 55 -0.536 -10.046 1.815 442 H THR 56 H THR 56 -0.849 -11.761 6.398 443 HA THR 56 HA THR 56 0.147 -13.102 7.884 444 HB THR 56 HB THR 56 -0.759 -15.186 5.883 445 HG1 THR 56 1HG THR 56 -2.271 -13.849 7.100 446 HG21 THR 56 1HG2 THR 56 -0.633 -16.791 7.824 447 HG22 THR 56 2HG2 THR 56 0.956 -16.330 7.194 448 HG23 THR 56 3HG2 THR 56 0.348 -15.594 8.699 449 H ASP 57 H ASP 57 1.657 -12.408 4.897 450 HA ASP 57 HA ASP 57 4.245 -13.228 5.909 451 HB2 ASP 57 2HB ASP 57 3.248 -15.218 4.706 452 HB3 ASP 57 3HB ASP 57 3.099 -14.213 3.257 453 H LEU 58 H LEU 58 5.784 -11.964 4.977 454 HA LEU 58 HA LEU 58 5.065 -9.429 3.700 455 HB2 LEU 58 2HB LEU 58 7.612 -10.747 4.636 456 HB3 LEU 58 3HB LEU 58 7.737 -9.471 3.438 457 HG LEU 58 HG LEU 58 5.950 -8.721 5.671 458 HD11 LEU 58 1HD1 LEU 58 8.903 -9.214 6.234 459 HD12 LEU 58 2HD1 LEU 58 7.769 -8.349 7.295 460 HD13 LEU 58 3HD1 LEU 58 7.534 -10.076 6.971 461 HD21 LEU 58 3HD2 LEU 58 6.789 -7.149 3.936 462 HD22 LEU 58 1HD2 LEU 58 7.326 -6.663 5.557 463 HD23 LEU 58 2HD2 LEU 58 8.458 -7.463 4.457 464 H GLN 59 H GLN 59 5.806 -12.592 2.596 465 HA GLN 59 HA GLN 59 6.785 -11.900 -0.004 466 HB2 GLN 59 2HB GLN 59 7.062 -14.092 1.126 467 HB3 GLN 59 3HB GLN 59 5.328 -14.404 0.915 468 HG2 GLN 59 2HG GLN 59 5.550 -14.262 -1.526 469 HG3 GLN 59 3HG GLN 59 7.241 -13.760 -1.382 470 HE21 GLN 59 1HE2 GLN 59 5.978 -16.143 -2.801 471 HE22 GLN 59 2HE2 GLN 59 6.868 -17.496 -2.109 472 H LEU 60 H LEU 60 3.446 -12.815 1.220 473 HA LEU 60 HA LEU 60 2.264 -12.291 -1.364 474 HB2 LEU 60 2HB LEU 60 1.353 -12.929 1.444 475 HB3 LEU 60 3HB LEU 60 0.230 -12.075 0.421 476 HG LEU 60 HG LEU 60 -0.089 -14.521 0.402 477 HD11 LEU 60 1HD1 LEU 60 -0.881 -13.083 -1.453 478 HD12 LEU 60 2HD1 LEU 60 0.638 -13.378 -2.325 479 HD13 LEU 60 3HD1 LEU 60 -0.463 -14.721 -1.994 480 HD21 LEU 60 3HD2 LEU 60 2.533 -14.607 -1.145 481 HD22 LEU 60 1HD2 LEU 60 2.286 -15.213 0.507 482 HD23 LEU 60 2HD2 LEU 60 1.436 -15.963 -0.861 483 H ILE 61 H ILE 61 3.079 -10.315 1.442 484 HA ILE 61 HA ILE 61 1.466 -8.106 0.591 485 HB ILE 61 HB ILE 61 3.001 -8.750 2.847 486 HG12 ILE 61 2HG1 ILE 61 0.793 -7.715 2.749 487 HG13 ILE 61 3HG1 ILE 61 1.881 -6.900 3.865 488 HG21 ILE 61 1HG2 ILE 61 5.015 -7.614 2.040 489 HG22 ILE 61 2HG2 ILE 61 4.096 -6.138 1.717 490 HG23 ILE 61 3HG2 ILE 61 4.279 -6.733 3.376 491 HD11 ILE 61 3HD1 ILE 61 2.221 -5.058 2.316 492 HD12 ILE 61 1HD1 ILE 61 1.328 -5.907 1.028 493 HD13 ILE 61 2HD1 ILE 61 0.488 -5.365 2.481 494 H THR 62 H THR 62 4.808 -9.094 -0.121 495 HA THR 62 HA THR 62 5.379 -6.551 -1.483 496 HB THR 62 HB THR 62 7.373 -7.815 -2.415 497 HG1 THR 62 1HG THR 62 6.728 -9.721 -0.444 498 HG21 THR 62 1HG2 THR 62 7.030 -7.595 0.603 499 HG22 THR 62 2HG2 THR 62 8.580 -7.826 -0.234 500 HG23 THR 62 3HG2 THR 62 7.634 -6.350 -0.506 501 H GLU 63 H GLU 63 4.346 -9.843 -2.411 502 HA GLU 63 HA GLU 63 4.407 -9.224 -5.225 503 HB2 GLU 63 2HB GLU 63 4.442 -11.564 -4.409 504 HB3 GLU 63 3HB GLU 63 2.779 -11.379 -3.797 505 HG2 GLU 63 2HG GLU 63 1.920 -10.971 -6.006 506 HG3 GLU 63 3HG GLU 63 3.541 -10.775 -6.686 507 H ALA 64 H ALA 64 1.946 -8.813 -2.715 508 HA ALA 64 HA ALA 64 -0.258 -8.220 -4.401 509 HB1 ALA 64 1HB ALA 64 -0.421 -8.408 -1.973 510 HB2 ALA 64 2HB ALA 64 0.484 -6.896 -1.755 511 HB3 ALA 64 3HB ALA 64 -1.106 -6.865 -2.551 512 H LEU 65 H LEU 65 2.339 -6.045 -3.135 513 HA LEU 65 HA LEU 65 1.412 -3.714 -4.547 514 HB2 LEU 65 2HB LEU 65 4.078 -4.537 -3.337 515 HB3 LEU 65 3HB LEU 65 3.827 -2.970 -4.101 516 HG LEU 65 HG LEU 65 2.091 -4.006 -1.823 517 HD11 LEU 65 1HD1 LEU 65 3.372 -2.669 -0.333 518 HD12 LEU 65 2HD1 LEU 65 4.500 -3.722 -1.186 519 HD13 LEU 65 3HD1 LEU 65 4.369 -2.007 -1.665 520 HD21 LEU 65 3HD2 LEU 65 2.189 -1.158 -1.917 521 HD22 LEU 65 1HD2 LEU 65 1.915 -1.683 -3.582 522 HD23 LEU 65 2HD2 LEU 65 0.817 -2.211 -2.296 523 H LYS 66 H LYS 66 3.667 -6.362 -5.362 524 HA LYS 66 HA LYS 66 4.562 -5.203 -7.819 525 HB2 LYS 66 2HB LYS 66 5.574 -7.168 -6.448 526 HB3 LYS 66 3HB LYS 66 4.405 -8.173 -7.334 527 HG2 LYS 66 2HG LYS 66 5.353 -7.128 -9.476 528 HG3 LYS 66 3HG LYS 66 6.593 -6.376 -8.491 529 HD2 LYS 66 2HD LYS 66 7.777 -8.304 -8.304 530 HD3 LYS 66 3HD LYS 66 6.344 -9.293 -7.994 531 HE2 LYS 66 2HE LYS 66 7.116 -8.207 -10.737 532 HE3 LYS 66 3HE LYS 66 7.537 -9.829 -10.159 533 HZ1 LYS 66 3HZ LYS 66 4.785 -8.793 -10.445 534 HZ2 LYS 66 1HZ LYS 66 5.527 -9.830 -11.486 535 HZ3 LYS 66 2HZ LYS 66 5.202 -10.309 -9.941 536 H LYS 67 H LYS 67 1.559 -6.817 -7.029 537 HA LYS 67 HA LYS 67 0.859 -6.760 -9.949 538 HB2 LYS 67 2HB LYS 67 -0.461 -8.169 -7.595 539 HB3 LYS 67 3HB LYS 67 -1.076 -8.175 -9.254 540 HG2 LYS 67 2HG LYS 67 1.039 -9.327 -9.985 541 HG3 LYS 67 3HG LYS 67 1.512 -9.421 -8.272 542 HD2 LYS 67 2HD LYS 67 -0.869 -10.457 -7.917 543 HD3 LYS 67 3HD LYS 67 -0.858 -10.754 -9.660 544 HE2 LYS 67 2HE LYS 67 1.287 -11.643 -7.702 545 HE3 LYS 67 3HE LYS 67 -0.071 -12.668 -8.139 546 HZ1 LYS 67 3HZ LYS 67 1.861 -11.623 -10.091 547 HZ2 LYS 67 1HZ LYS 67 2.055 -13.028 -9.269 548 HZ3 LYS 67 2HZ LYS 67 0.768 -12.856 -10.306 549 H SER 68 H SER 68 1.014 -4.238 -8.134 550 HA SER 68 HA SER 68 -1.445 -3.711 -7.024 551 HB2 SER 68 2HB SER 68 -0.789 -1.283 -7.410 552 HB3 SER 68 3HB SER 68 0.351 -2.232 -6.502 553 HG SER 68 HG SER 68 0.435 -1.482 -9.221 554 H THR 69 H THR 69 -3.367 -2.977 -7.688 555 HA THR 69 HA THR 69 -3.887 -2.627 -10.553 556 HB THR 69 HB THR 69 -5.525 -3.863 -9.422 557 HG1 THR 69 1HG THR 69 -7.173 -2.682 -10.151 558 HG21 THR 69 1HG2 THR 69 -5.153 -2.882 -6.969 559 HG22 THR 69 2HG2 THR 69 -6.355 -1.676 -7.487 560 HG23 THR 69 3HG2 THR 69 -6.756 -3.366 -7.481 561 H ARG 70 H ARG 70 -4.744 -0.648 -7.712 562 HA ARG 70 HA ARG 70 -4.893 1.671 -9.481 563 HB2 ARG 70 2HB ARG 70 -6.301 0.596 -7.273 564 HB3 ARG 70 3HB ARG 70 -5.679 2.135 -6.687 565 HG2 ARG 70 2HG ARG 70 -7.249 1.723 -9.262 566 HG3 ARG 70 3HG ARG 70 -7.943 2.236 -7.704 567 HD2 ARG 70 2HD ARG 70 -6.752 4.268 -7.691 568 HD3 ARG 70 3HD ARG 70 -5.758 3.803 -9.082 569 HE ARG 70 HE ARG 70 -8.224 3.626 -10.142 570 HH11 ARG 70 2HH2 ARG 70 -6.617 6.226 -8.336 571 HH12 ARG 70 1HH2 ARG 70 -7.713 7.442 -8.868 572 HH21 ARG 70 2HH1 ARG 70 -9.660 5.360 -10.920 573 HH22 ARG 70 1HH1 ARG 70 -9.500 6.925 -10.192 574 H LEU 71 H LEU 71 -2.272 0.444 -7.978 575 HA LEU 71 HA LEU 71 -1.165 3.109 -7.628 576 HB2 LEU 71 2HB LEU 71 -0.766 0.725 -5.729 577 HB3 LEU 71 3HB LEU 71 0.301 2.108 -5.833 578 HG LEU 71 HG LEU 71 -1.857 3.529 -5.372 579 HD11 LEU 71 1HD1 LEU 71 -3.576 1.784 -5.406 580 HD12 LEU 71 2HD1 LEU 71 -2.668 0.835 -4.236 581 HD13 LEU 71 3HD1 LEU 71 -3.398 2.383 -3.762 582 HD21 LEU 71 3HD2 LEU 71 -0.530 1.857 -3.208 583 HD22 LEU 71 1HD2 LEU 71 0.087 3.388 -3.875 584 HD23 LEU 71 2HD2 LEU 71 -1.419 3.371 -2.948 585 H GLN 72 H GLN 72 1.339 2.721 -7.841 586 HA GLN 72 HA GLN 72 1.954 0.253 -9.382 587 HB2 GLN 72 2HB GLN 72 2.567 3.116 -10.172 588 HB3 GLN 72 3HB GLN 72 3.662 1.795 -10.605 589 HG2 GLN 72 2HG GLN 72 1.702 0.596 -11.653 590 HG3 GLN 72 3HG GLN 72 0.752 2.079 -11.429 591 HE21 GLN 72 1HE2 GLN 72 2.398 0.469 -13.777 592 HE22 GLN 72 2HE2 GLN 72 3.061 1.824 -14.667 593 H VAL 73 H VAL 73 3.744 -0.691 -8.657 594 HA VAL 73 HA VAL 73 5.229 0.548 -6.447 595 HB VAL 73 HB VAL 73 4.338 -1.771 -6.282 596 HG11 VAL 73 1HG1 VAL 73 6.201 -2.356 -8.611 597 HG12 VAL 73 2HG1 VAL 73 5.683 -3.568 -7.461 598 HG13 VAL 73 3HG1 VAL 73 4.464 -2.721 -8.444 599 HG21 VAL 73 3HG2 VAL 73 7.331 -1.991 -6.292 600 HG22 VAL 73 1HG2 VAL 73 6.489 -1.010 -5.081 601 HG23 VAL 73 2HG2 VAL 73 6.164 -2.750 -5.214 602 H SER 74 H SER 74 7.316 1.139 -6.584 603 HA SER 74 HA SER 74 8.597 1.450 -9.189 604 HB2 SER 74 2HB SER 74 9.001 3.077 -7.378 605 HB3 SER 74 3HB SER 74 9.642 1.781 -6.351 606 HG SER 74 HG SER 74 10.752 2.624 -8.845 607 H GLU 75 H GLU 75 10.696 0.503 -9.636 608 HA GLU 75 HA GLU 75 10.733 -2.335 -9.455 609 HB2 GLU 75 2HB GLU 75 12.951 -0.356 -10.183 610 HB3 GLU 75 3HB GLU 75 12.968 -2.098 -10.458 611 HG2 GLU 75 2HG GLU 75 12.223 -1.542 -12.503 612 HG3 GLU 75 3HG GLU 75 10.651 -1.569 -11.721 613 H ASP 76 H ASP 76 11.739 0.154 -7.188 614 HA ASP 76 HA ASP 76 13.753 -1.504 -5.883 615 HB2 ASP 76 2HB ASP 76 13.627 1.051 -5.925 616 HB3 ASP 76 3HB ASP 76 12.275 0.923 -4.797 617 H GLY 77 H GLY 77 10.253 -1.275 -5.865 618 HA2 GLY 77 2HA GLY 77 8.627 -2.155 -4.436 619 HA3 GLY 77 3HA GLY 77 9.811 -3.436 -4.109 620 H LYS 78 H LYS 78 10.397 -0.078 -3.427 621 HA LYS 78 HA LYS 78 9.765 -0.340 -0.504 622 HB2 LYS 78 2HB LYS 78 12.091 0.939 -1.943 623 HB3 LYS 78 3HB LYS 78 11.703 1.275 -0.248 624 HG2 LYS 78 2HG LYS 78 12.036 -0.983 0.418 625 HG3 LYS 78 3HG LYS 78 12.127 -1.575 -1.247 626 HD2 LYS 78 2HD LYS 78 14.282 -0.999 -1.508 627 HD3 LYS 78 3HD LYS 78 14.085 0.562 -0.681 628 HE2 LYS 78 2HE LYS 78 14.093 -0.528 1.492 629 HE3 LYS 78 3HE LYS 78 14.201 -2.125 0.729 630 HZ1 LYS 78 3HZ LYS 78 16.214 0.017 0.442 631 HZ2 LYS 78 1HZ LYS 78 16.375 -1.291 1.439 632 HZ3 LYS 78 2HZ LYS 78 16.314 -1.486 -0.203 633 H MET 79 H MET 79 8.757 1.066 -3.416 634 HA MET 79 HA MET 79 7.191 2.836 -1.788 635 HB2 MET 79 2HB MET 79 7.722 4.867 -3.188 636 HB3 MET 79 3HB MET 79 9.158 4.326 -2.310 637 HG2 MET 79 2HG MET 79 9.866 3.085 -4.386 638 HG3 MET 79 3HG MET 79 8.481 3.784 -5.228 639 HE1 MET 79 3HE MET 79 12.531 5.308 -5.465 640 HE2 MET 79 1HE MET 79 12.117 4.082 -4.243 641 HE3 MET 79 2HE MET 79 11.681 3.822 -5.948 642 H VAL 80 H VAL 80 5.250 3.464 -2.796 643 HA VAL 80 HA VAL 80 4.810 2.499 -5.505 644 HB VAL 80 HB VAL 80 2.481 1.889 -4.629 645 HG11 VAL 80 1HG1 VAL 80 3.590 -0.271 -3.391 646 HG12 VAL 80 2HG1 VAL 80 3.500 -0.057 -5.147 647 HG13 VAL 80 3HG1 VAL 80 4.985 0.334 -4.231 648 HG21 VAL 80 3HG2 VAL 80 2.741 3.004 -2.431 649 HG22 VAL 80 1HG2 VAL 80 2.173 1.340 -2.319 650 HG23 VAL 80 2HG2 VAL 80 3.867 1.718 -1.934 651 H ARG 81 H ARG 81 2.918 3.597 -6.386 652 HA ARG 81 HA ARG 81 2.465 6.304 -5.181 653 HB2 ARG 81 2HB ARG 81 2.949 7.380 -7.296 654 HB3 ARG 81 3HB ARG 81 4.320 6.356 -6.857 655 HG2 ARG 81 2HG ARG 81 3.133 4.554 -8.390 656 HG3 ARG 81 3HG ARG 81 2.244 5.948 -9.034 657 HD2 ARG 81 2HD ARG 81 4.488 7.057 -9.425 658 HD3 ARG 81 3HD ARG 81 5.258 5.529 -8.948 659 HE ARG 81 HE ARG 81 3.395 4.949 -11.009 660 HH11 ARG 81 2HH2 ARG 81 6.430 6.687 -10.556 661 HH12 ARG 81 1HH2 ARG 81 6.922 6.588 -12.211 662 HH21 ARG 81 2HH1 ARG 81 4.026 4.771 -13.196 663 HH22 ARG 81 1HH1 ARG 81 5.504 5.467 -13.768 664 H ARG 82 H ARG 82 0.494 7.329 -5.775 665 HA ARG 82 HA ARG 82 -1.663 5.524 -6.430 666 HB2 ARG 82 2HB ARG 82 -1.634 8.577 -6.389 667 HB3 ARG 82 3HB ARG 82 -3.064 7.560 -6.250 668 HG2 ARG 82 2HG ARG 82 -0.806 7.683 -4.202 669 HG3 ARG 82 3HG ARG 82 -2.343 8.536 -4.115 670 HD2 ARG 82 2HD ARG 82 -2.147 5.503 -4.282 671 HD3 ARG 82 3HD ARG 82 -2.159 6.401 -2.772 672 HE ARG 82 HE ARG 82 -4.283 7.264 -3.212 673 HH11 ARG 82 2HH2 ARG 82 -3.454 4.626 -5.459 674 HH12 ARG 82 1HH2 ARG 82 -5.056 4.261 -5.894 675 HH21 ARG 82 2HH1 ARG 82 -6.468 6.791 -3.801 676 HH22 ARG 82 1HH1 ARG 82 -6.824 5.446 -4.824 677 H LEU 83 H LEU 83 -3.362 6.547 -8.019 678 HA LEU 83 HA LEU 83 -2.204 7.008 -10.684 679 HB2 LEU 83 2HB LEU 83 -4.543 5.611 -9.636 680 HB3 LEU 83 3HB LEU 83 -5.100 6.943 -10.635 681 HG LEU 83 HG LEU 83 -2.926 5.078 -11.628 682 HD11 LEU 83 1HD1 LEU 83 -4.703 3.581 -10.964 683 HD12 LEU 83 2HD1 LEU 83 -5.933 4.605 -11.753 684 HD13 LEU 83 3HD1 LEU 83 -4.725 3.728 -12.718 685 HD21 LEU 83 3HD2 LEU 83 -3.846 5.722 -13.827 686 HD22 LEU 83 1HD2 LEU 83 -5.131 6.656 -13.042 687 HD23 LEU 83 2HD2 LEU 83 -3.434 7.174 -12.901 688 H ASP 84 H ASP 84 -2.887 8.987 -11.735 689 HA ASP 84 HA ASP 84 -2.950 11.300 -10.181 690 HB2 ASP 84 2HB ASP 84 -3.445 10.625 -13.062 691 HB3 ASP 84 3HB ASP 84 -4.024 12.195 -12.503 692 HA PRO 85 HA PRO 85 -7.598 11.906 -10.741 693 HB2 PRO 85 2HB PRO 85 -9.248 9.877 -11.597 694 HB3 PRO 85 3HB PRO 85 -8.418 11.003 -12.717 695 HG2 PRO 85 2HG PRO 85 -7.514 8.234 -11.862 696 HG3 PRO 85 3HG PRO 85 -7.635 8.891 -13.529 697 HD2 PRO 85 2HD PRO 85 -5.286 8.871 -12.196 698 HD3 PRO 85 3HD PRO 85 -5.737 10.274 -13.213 699 H LEU 86 H LEU 86 -9.329 11.438 -9.173 700 HA LEU 86 HA LEU 86 -8.314 10.187 -6.839 701 HB2 LEU 86 2HB LEU 86 -10.302 10.872 -5.787 702 HB3 LEU 86 3HB LEU 86 -9.978 12.091 -6.973 703 HG LEU 86 HG LEU 86 -11.803 9.912 -7.937 704 HD11 LEU 86 1HD1 LEU 86 -13.720 10.751 -6.646 705 HD12 LEU 86 2HD1 LEU 86 -12.503 10.022 -5.594 706 HD13 LEU 86 3HD1 LEU 86 -12.636 11.796 -5.695 707 HD21 LEU 86 3HD2 LEU 86 -11.380 11.988 -9.230 708 HD22 LEU 86 1HD2 LEU 86 -13.078 11.830 -8.762 709 HD23 LEU 86 2HD2 LEU 86 -12.023 12.950 -7.877 710 HA PRO 87 HA PRO 87 -9.676 5.998 -7.370 711 HB2 PRO 87 2HB PRO 87 -10.339 5.127 -4.883 712 HB3 PRO 87 3HB PRO 87 -8.664 5.505 -5.355 713 HG2 PRO 87 2HG PRO 87 -10.614 7.228 -3.799 714 HG3 PRO 87 3HG PRO 87 -8.883 6.961 -3.462 715 HD2 PRO 87 2HD PRO 87 -9.844 9.153 -4.790 716 HD3 PRO 87 3HD PRO 87 -8.216 8.484 -5.113 717 H GLU 88 H GLU 88 -11.546 4.610 -7.486 718 HA GLU 88 HA GLU 88 -14.094 5.560 -6.453 719 HB2 GLU 88 2HB GLU 88 -13.710 6.858 -8.607 720 HB3 GLU 88 3HB GLU 88 -13.737 5.321 -9.474 721 HG2 GLU 88 2HG GLU 88 -16.067 4.921 -8.590 722 HG3 GLU 88 3HG GLU 88 -15.976 6.455 -7.725 723 H ASN 89 H ASN 89 -13.052 3.402 -5.489 724 HA ASN 89 HA ASN 89 -13.105 1.128 -5.272 725 HB2 ASN 89 2HB ASN 89 -15.634 1.343 -6.962 726 HB3 ASN 89 3HB ASN 89 -15.187 0.005 -5.923 727 HD21 ASN 89 1HD2 ASN 89 -16.596 3.212 -6.018 728 HD22 ASN 89 2HD2 ASN 89 -16.997 3.260 -4.302 729 H ILE 90 H ILE 90 -11.193 1.503 -7.057 730 HA ILE 90 HA ILE 90 -12.046 0.102 -9.557 731 HB ILE 90 HB ILE 90 -9.639 1.770 -8.864 732 HG12 ILE 90 2HG1 ILE 90 -11.566 3.163 -9.250 733 HG13 ILE 90 3HG1 ILE 90 -10.411 3.345 -10.560 734 HG21 ILE 90 1HG2 ILE 90 -10.206 0.272 -11.446 735 HG22 ILE 90 2HG2 ILE 90 -8.987 1.558 -11.301 736 HG23 ILE 90 3HG2 ILE 90 -8.827 0.063 -10.368 737 HD11 ILE 90 3HD1 ILE 90 -12.648 3.292 -11.472 738 HD12 ILE 90 1HD1 ILE 90 -11.808 1.820 -11.980 739 HD13 ILE 90 2HD1 ILE 90 -13.008 1.760 -10.664 740 H ASP 91 H ASP 91 -11.531 -2.014 -9.767 741 HA ASP 91 HA ASP 91 -9.864 -3.290 -7.707 742 HB2 ASP 91 2HB ASP 91 -10.876 -5.344 -8.463 743 HB3 ASP 91 3HB ASP 91 -12.157 -4.169 -8.171 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -3.902 -20.837 -3.038 2 H2 MET 1 H2 MET 1 -5.434 -21.286 -3.452 3 H3 MET 1 H3 MET 1 -4.447 -20.611 -4.577 4 HA MET 1 HA MET 1 -6.054 -19.008 -3.847 5 HB2 MET 1 2HB MET 1 -4.900 -19.702 -1.117 6 HB3 MET 1 3HB MET 1 -5.889 -18.260 -1.419 7 HG2 MET 1 2HG MET 1 -7.725 -19.557 -2.198 8 HG3 MET 1 3HG MET 1 -6.830 -21.071 -2.055 9 HE1 MET 1 1HE MET 1 -9.773 -21.109 0.568 10 HE2 MET 1 2HE MET 1 -9.755 -20.200 -0.962 11 HE3 MET 1 3HE MET 1 -9.109 -21.854 -0.905 12 H SER 2 H SER 2 -3.420 -18.943 -5.256 13 HA SER 2 HA SER 2 -1.747 -17.012 -3.932 14 HB2 SER 2 2HB SER 2 -0.967 -16.823 -6.413 15 HB3 SER 2 3HB SER 2 -0.685 -18.355 -5.559 16 HG SER 2 HG SER 2 -1.666 -18.569 -7.678 17 H GLU 3 H GLU 3 -3.744 -16.798 -6.917 18 HA GLU 3 HA GLU 3 -3.942 -13.946 -6.637 19 HB2 GLU 3 2HB GLU 3 -4.982 -15.996 -8.553 20 HB3 GLU 3 3HB GLU 3 -5.713 -14.366 -8.569 21 HG2 GLU 3 2HG GLU 3 -3.615 -13.275 -8.850 22 HG3 GLU 3 3HG GLU 3 -2.696 -14.714 -8.422 23 H GLU 4 H GLU 4 -5.981 -16.501 -5.311 24 HA GLU 4 HA GLU 4 -8.185 -14.735 -4.746 25 HB2 GLU 4 2HB GLU 4 -7.168 -17.135 -3.168 26 HB3 GLU 4 3HB GLU 4 -8.645 -16.230 -2.808 27 HG2 GLU 4 2HG GLU 4 -9.285 -16.669 -5.303 28 HG3 GLU 4 3HG GLU 4 -8.022 -17.911 -5.255 29 H THR 5 H THR 5 -5.360 -15.613 -2.601 30 HA THR 5 HA THR 5 -6.145 -13.690 -0.649 31 HB THR 5 HB THR 5 -3.363 -14.784 -1.176 32 HG1 THR 5 1HG THR 5 -4.297 -16.598 -0.814 33 HG21 THR 5 1HG2 THR 5 -4.747 -13.861 1.382 34 HG22 THR 5 2HG2 THR 5 -3.131 -14.589 1.297 35 HG23 THR 5 3HG2 THR 5 -3.426 -13.010 0.548 36 H SER 6 H SER 6 -3.802 -13.603 -3.314 37 HA SER 6 HA SER 6 -2.663 -11.099 -2.759 38 HB2 SER 6 2HB SER 6 -1.821 -12.900 -4.323 39 HB3 SER 6 3HB SER 6 -2.998 -12.322 -5.521 40 HG SER 6 HG SER 6 -0.727 -11.483 -5.510 41 H THR 7 H THR 7 -5.582 -11.887 -4.765 42 HA THR 7 HA THR 7 -5.996 -9.079 -5.364 43 HB THR 7 HB THR 7 -7.805 -11.491 -5.696 44 HG1 THR 7 1HG THR 7 -6.273 -9.962 -7.543 45 HG21 THR 7 1HG2 THR 7 -9.217 -9.500 -5.647 46 HG22 THR 7 2HG2 THR 7 -8.102 -8.629 -6.721 47 HG23 THR 7 3HG2 THR 7 -9.025 -10.025 -7.325 48 H GLN 8 H GLN 8 -7.070 -11.294 -2.808 49 HA GLN 8 HA GLN 8 -9.136 -9.533 -1.809 50 HB2 GLN 8 2HB GLN 8 -7.537 -11.855 -0.685 51 HB3 GLN 8 3HB GLN 8 -8.598 -10.955 0.359 52 HG2 GLN 8 2HG GLN 8 -9.537 -12.212 -2.276 53 HG3 GLN 8 3HG GLN 8 -9.526 -13.099 -0.756 54 HE21 GLN 8 1HE2 GLN 8 -11.491 -13.161 0.256 55 HE22 GLN 8 2HE2 GLN 8 -12.718 -11.920 0.104 56 H ILE 9 H ILE 9 -5.657 -9.577 -1.504 57 HA ILE 9 HA ILE 9 -5.839 -7.631 0.709 58 HB ILE 9 HB ILE 9 -4.082 -9.589 0.343 59 HG12 ILE 9 2HG1 ILE 9 -3.288 -6.855 1.427 60 HG13 ILE 9 3HG1 ILE 9 -4.386 -7.961 2.258 61 HG21 ILE 9 1HG2 ILE 9 -2.541 -7.232 -0.798 62 HG22 ILE 9 2HG2 ILE 9 -1.941 -8.874 -0.456 63 HG23 ILE 9 3HG2 ILE 9 -3.090 -8.628 -1.744 64 HD11 ILE 9 3HD1 ILE 9 -1.445 -8.456 1.630 65 HD12 ILE 9 1HD1 ILE 9 -2.255 -8.363 3.198 66 HD13 ILE 9 2HD1 ILE 9 -2.585 -9.737 2.123 67 H LEU 10 H LEU 10 -5.172 -7.923 -2.736 68 HA LEU 10 HA LEU 10 -4.077 -5.403 -3.151 69 HB2 LEU 10 2HB LEU 10 -4.608 -7.489 -4.816 70 HB3 LEU 10 3HB LEU 10 -5.932 -6.445 -5.270 71 HG LEU 10 HG LEU 10 -2.947 -6.139 -5.582 72 HD11 LEU 10 1HD1 LEU 10 -4.235 -7.077 -7.393 73 HD12 LEU 10 2HD1 LEU 10 -5.419 -5.757 -7.337 74 HD13 LEU 10 3HD1 LEU 10 -3.756 -5.449 -7.874 75 HD21 LEU 10 3HD2 LEU 10 -3.361 -3.740 -6.276 76 HD22 LEU 10 1HD2 LEU 10 -4.880 -3.826 -5.368 77 HD23 LEU 10 2HD2 LEU 10 -3.317 -4.032 -4.551 78 H LYS 11 H LYS 11 -7.494 -6.373 -3.452 79 HA LYS 11 HA LYS 11 -8.531 -3.774 -4.003 80 HB2 LYS 11 2HB LYS 11 -10.682 -4.712 -3.479 81 HB3 LYS 11 3HB LYS 11 -9.715 -6.005 -4.211 82 HG2 LYS 11 2HG LYS 11 -9.080 -6.509 -1.665 83 HG3 LYS 11 3HG LYS 11 -10.610 -5.666 -1.350 84 HD2 LYS 11 2HD LYS 11 -10.162 -8.069 -3.157 85 HD3 LYS 11 3HD LYS 11 -10.754 -8.116 -1.479 86 HE2 LYS 11 2HE LYS 11 -12.741 -6.797 -2.138 87 HE3 LYS 11 3HE LYS 11 -12.162 -6.778 -3.807 88 HZ1 LYS 11 3HZ LYS 11 -13.781 -8.543 -3.342 89 HZ2 LYS 11 1HZ LYS 11 -12.347 -9.106 -3.920 90 HZ3 LYS 11 2HZ LYS 11 -12.678 -9.265 -2.323 91 H GLN 12 H GLN 12 -7.550 -5.326 -1.051 92 HA GLN 12 HA GLN 12 -8.763 -3.368 0.732 93 HB2 GLN 12 2HB GLN 12 -7.401 -5.940 0.984 94 HB3 GLN 12 3HB GLN 12 -6.770 -4.779 2.131 95 HG2 GLN 12 2HG GLN 12 -8.605 -6.008 3.132 96 HG3 GLN 12 3HG GLN 12 -9.016 -4.300 2.979 97 HE21 GLN 12 1HE2 GLN 12 -9.417 -7.452 1.162 98 HE22 GLN 12 2HE2 GLN 12 -11.063 -7.057 0.696 99 H VAL 13 H VAL 13 -5.692 -3.650 -0.973 100 HA VAL 13 HA VAL 13 -4.310 -1.621 0.620 101 HB VAL 13 HB VAL 13 -3.828 -3.096 -1.990 102 HG11 VAL 13 1HG1 VAL 13 -2.006 -1.000 -0.760 103 HG12 VAL 13 2HG1 VAL 13 -1.617 -2.045 -2.145 104 HG13 VAL 13 3HG1 VAL 13 -2.893 -0.829 -2.298 105 HG21 VAL 13 3HG2 VAL 13 -2.176 -3.009 0.564 106 HG22 VAL 13 1HG2 VAL 13 -3.397 -4.245 0.231 107 HG23 VAL 13 2HG2 VAL 13 -1.976 -4.109 -0.817 108 H GLU 14 H GLU 14 -6.069 -1.855 -2.490 109 HA GLU 14 HA GLU 14 -5.916 0.834 -3.153 110 HB2 GLU 14 2HB GLU 14 -6.731 -1.025 -4.602 111 HB3 GLU 14 3HB GLU 14 -8.234 -1.106 -3.695 112 HG2 GLU 14 2HG GLU 14 -7.306 1.450 -5.044 113 HG3 GLU 14 3HG GLU 14 -8.110 0.170 -5.960 114 H TYR 15 H TYR 15 -8.266 -0.821 -1.065 115 HA TYR 15 HA TYR 15 -10.045 1.236 -0.656 116 HB2 TYR 15 2HB TYR 15 -10.801 -0.815 0.039 117 HB3 TYR 15 3HB TYR 15 -9.236 -1.313 0.648 118 HD1 TYR 15 HD2 TYR 15 -12.268 0.629 1.512 119 HD2 TYR 15 HD1 TYR 15 -8.464 -0.896 2.846 120 HE1 TYR 15 HE2 TYR 15 -12.833 1.244 3.843 121 HE2 TYR 15 HE1 TYR 15 -8.969 -0.267 5.122 122 HH TYR 15 HH TYR 15 -10.520 1.208 6.439 123 H TYR 16 H TYR 16 -6.996 0.507 1.135 124 HA TYR 16 HA TYR 16 -7.366 2.546 3.143 125 HB2 TYR 16 2HB TYR 16 -4.994 1.070 2.047 126 HB3 TYR 16 3HB TYR 16 -4.742 2.498 3.024 127 HD1 TYR 16 HD1 TYR 16 -6.425 2.534 5.206 128 HD2 TYR 16 HD2 TYR 16 -4.765 -0.923 3.244 129 HE1 TYR 16 HE1 TYR 16 -6.424 1.329 7.340 130 HE2 TYR 16 HE2 TYR 16 -4.691 -2.121 5.425 131 HH TYR 16 HH TYR 16 -4.562 -1.433 7.931 132 H PHE 17 H PHE 17 -6.322 2.730 -0.206 133 HA PHE 17 HA PHE 17 -5.704 5.608 0.138 134 HB2 PHE 17 2HB PHE 17 -5.350 3.753 -2.235 135 HB3 PHE 17 3HB PHE 17 -4.715 5.388 -2.080 136 HD1 PHE 17 1HD PHE 17 -3.332 5.699 0.324 137 HD2 PHE 17 2HD PHE 17 -3.795 2.040 -1.910 138 HE1 PHE 17 1HE PHE 17 -1.177 4.866 1.205 139 HE2 PHE 17 2HE PHE 17 -1.677 1.196 -0.961 140 HZ PHE 17 HZ PHE 17 -0.397 2.570 0.656 141 H SER 18 H SER 18 -8.416 3.703 -0.691 142 HA SER 18 HA SER 18 -9.539 5.831 -2.404 143 HB2 SER 18 2HB SER 18 -9.452 3.563 -3.402 144 HB3 SER 18 3HB SER 18 -10.407 2.937 -2.040 145 HG SER 18 HG SER 18 -12.042 4.522 -2.696 146 H ASP 19 H ASP 19 -9.720 4.689 0.766 147 HA ASP 19 HA ASP 19 -12.473 5.542 1.239 148 HB2 ASP 19 2HB ASP 19 -11.286 3.680 2.290 149 HB3 ASP 19 3HB ASP 19 -10.077 4.790 2.938 150 H SER 20 H SER 20 -10.200 7.347 0.105 151 HA SER 20 HA SER 20 -8.950 9.171 0.473 152 HB2 SER 20 2HB SER 20 -11.265 10.016 0.007 153 HB3 SER 20 3HB SER 20 -11.500 10.203 1.760 154 HG SER 20 HG SER 20 -9.702 11.581 1.771 155 H ASN 21 H ASN 21 -8.667 7.154 2.581 156 HA ASN 21 HA ASN 21 -8.592 8.745 5.011 157 HB2 ASN 21 2HB ASN 21 -9.329 6.203 4.646 158 HB3 ASN 21 3HB ASN 21 -7.616 5.911 5.000 159 HD21 ASN 21 1HD2 ASN 21 -7.880 5.091 7.112 160 HD22 ASN 21 2HD2 ASN 21 -8.399 6.090 8.403 161 H PHE 22 H PHE 22 -6.292 7.917 2.530 162 HA PHE 22 HA PHE 22 -3.935 7.822 4.023 163 HB2 PHE 22 2HB PHE 22 -3.078 7.601 2.001 164 HB3 PHE 22 3HB PHE 22 -4.591 8.086 1.260 165 HD1 PHE 22 1HD PHE 22 -1.439 9.511 2.759 166 HD2 PHE 22 2HD PHE 22 -4.663 10.044 -0.052 167 HE1 PHE 22 1HE PHE 22 -0.433 11.647 1.985 168 HE2 PHE 22 2HE PHE 22 -3.680 12.168 -0.789 169 HZ PHE 22 HZ PHE 22 -1.549 12.991 0.231 170 HA PRO 23 HA PRO 23 -3.445 12.460 3.962 171 HB2 PRO 23 2HB PRO 23 -5.541 14.201 3.586 172 HB3 PRO 23 3HB PRO 23 -4.572 13.502 2.251 173 HG2 PRO 23 2HG PRO 23 -7.304 12.691 3.210 174 HG3 PRO 23 3HG PRO 23 -6.658 12.728 1.539 175 HD2 PRO 23 2HD PRO 23 -6.833 10.501 3.231 176 HD3 PRO 23 3HD PRO 23 -5.838 10.575 1.766 177 H ARG 24 H ARG 24 -6.148 10.880 5.467 178 HA ARG 24 HA ARG 24 -6.286 12.825 7.686 179 HB2 ARG 24 2HB ARG 24 -8.339 12.091 6.462 180 HB3 ARG 24 3HB ARG 24 -8.051 10.430 6.983 181 HG2 ARG 24 2HG ARG 24 -8.001 12.356 9.228 182 HG3 ARG 24 3HG ARG 24 -9.513 12.424 8.333 183 HD2 ARG 24 2HD ARG 24 -8.334 9.773 9.241 184 HD3 ARG 24 3HD ARG 24 -9.339 10.742 10.318 185 HE ARG 24 HE ARG 24 -10.157 9.164 8.041 186 HH11 ARG 24 2HH2 ARG 24 -11.085 11.883 10.063 187 HH12 ARG 24 1HH2 ARG 24 -12.782 11.784 9.732 188 HH21 ARG 24 2HH1 ARG 24 -12.390 8.988 7.546 189 HH22 ARG 24 1HH1 ARG 24 -13.549 10.066 8.244 190 H ASP 25 H ASP 25 -5.072 9.613 6.914 191 HA ASP 25 HA ASP 25 -4.835 8.795 9.733 192 HB2 ASP 25 2HB ASP 25 -4.144 7.571 7.048 193 HB3 ASP 25 3HB ASP 25 -3.571 6.862 8.555 194 H LYS 26 H LYS 26 -3.240 10.048 10.696 195 HA LYS 26 HA LYS 26 -1.056 11.240 9.439 196 HB2 LYS 26 2HB LYS 26 -1.397 10.313 12.300 197 HB3 LYS 26 3HB LYS 26 0.041 11.202 11.776 198 HG2 LYS 26 2HG LYS 26 -2.728 12.280 11.175 199 HG3 LYS 26 3HG LYS 26 -2.012 12.525 12.763 200 HD2 LYS 26 2HD LYS 26 -0.412 13.292 10.304 201 HD3 LYS 26 3HD LYS 26 -1.730 14.327 10.877 202 HE2 LYS 26 2HE LYS 26 -0.648 14.151 13.213 203 HE3 LYS 26 3HE LYS 26 0.781 13.514 12.388 204 HZ1 LYS 26 3HZ LYS 26 0.882 15.903 12.727 205 HZ2 LYS 26 1HZ LYS 26 0.864 15.568 11.117 206 HZ3 LYS 26 2HZ LYS 26 -0.493 16.131 11.862 207 H PHE 27 H PHE 27 -1.330 7.919 10.422 208 HA PHE 27 HA PHE 27 1.377 7.025 10.248 209 HB2 PHE 27 2HB PHE 27 -0.594 5.797 11.167 210 HB3 PHE 27 3HB PHE 27 -1.274 5.663 9.553 211 HD1 PHE 27 2HD PHE 27 2.043 5.039 11.230 212 HD2 PHE 27 1HD PHE 27 -0.984 3.539 8.540 213 HE1 PHE 27 2HE PHE 27 3.315 2.968 10.961 214 HE2 PHE 27 1HE PHE 27 0.299 1.433 8.288 215 HZ PHE 27 HZ PHE 27 2.424 1.114 9.517 216 H LEU 28 H LEU 28 -1.233 7.038 7.771 217 HA LEU 28 HA LEU 28 0.496 6.105 5.634 218 HB2 LEU 28 2HB LEU 28 -2.192 7.488 5.785 219 HB3 LEU 28 3HB LEU 28 -1.383 7.243 4.237 220 HG LEU 28 HG LEU 28 -1.516 4.830 5.994 221 HD11 LEU 28 1HD1 LEU 28 -3.997 6.239 5.378 222 HD12 LEU 28 2HD1 LEU 28 -3.970 4.719 4.532 223 HD13 LEU 28 3HD1 LEU 28 -3.742 4.762 6.290 224 HD21 LEU 28 3HD2 LEU 28 -1.506 3.707 3.928 225 HD22 LEU 28 1HD2 LEU 28 -2.317 5.042 3.097 226 HD23 LEU 28 2HD2 LEU 28 -0.590 5.161 3.557 227 H ARG 29 H ARG 29 -0.838 9.253 6.459 228 HA ARG 29 HA ARG 29 0.348 10.830 4.609 229 HB2 ARG 29 2HB ARG 29 -1.399 11.484 6.306 230 HB3 ARG 29 3HB ARG 29 -0.117 11.586 7.517 231 HG2 ARG 29 2HG ARG 29 -0.673 13.799 6.716 232 HG3 ARG 29 3HG ARG 29 0.974 13.407 6.211 233 HD2 ARG 29 2HD ARG 29 0.156 12.858 3.936 234 HD3 ARG 29 3HD ARG 29 -1.507 13.083 4.471 235 HE ARG 29 HE ARG 29 -1.292 15.352 4.395 236 HH11 ARG 29 2HH2 ARG 29 1.886 13.871 3.935 237 HH12 ARG 29 1HH2 ARG 29 2.667 15.323 3.415 238 HH21 ARG 29 2HH1 ARG 29 -0.253 17.328 3.743 239 HH22 ARG 29 1HH1 ARG 29 1.422 17.342 3.333 240 H SER 30 H SER 30 1.931 9.573 7.561 241 HA SER 30 HA SER 30 4.215 11.317 7.450 242 HB2 SER 30 2HB SER 30 3.796 8.524 8.612 243 HB3 SER 30 3HB SER 30 5.326 9.420 8.738 244 HG SER 30 HG SER 30 2.785 10.173 9.715 245 H GLU 31 H GLU 31 3.541 8.081 5.956 246 HA GLU 31 HA GLU 31 6.282 8.093 4.875 247 HB2 GLU 31 2HB GLU 31 3.976 6.181 4.873 248 HB3 GLU 31 3HB GLU 31 4.983 6.165 3.429 249 HG2 GLU 31 2HG GLU 31 6.005 5.812 6.271 250 HG3 GLU 31 3HG GLU 31 5.807 4.538 5.054 251 H ALA 32 H ALA 32 2.976 8.675 3.692 252 HA ALA 32 HA ALA 32 3.533 9.078 0.988 253 HB1 ALA 32 1HB ALA 32 1.283 8.919 1.997 254 HB2 ALA 32 2HB ALA 32 1.543 10.471 2.831 255 HB3 ALA 32 3HB ALA 32 1.424 10.416 1.070 256 H ALA 33 H ALA 33 3.921 11.259 3.762 257 HA ALA 33 HA ALA 33 4.573 13.647 2.345 258 HB1 ALA 33 1HB ALA 33 5.432 14.410 4.554 259 HB2 ALA 33 2HB ALA 33 3.860 13.635 4.728 260 HB3 ALA 33 3HB ALA 33 5.321 12.750 5.172 261 H LYS 34 H LYS 34 6.417 10.866 2.006 262 HA LYS 34 HA LYS 34 9.008 12.331 2.073 263 HB2 LYS 34 2HB LYS 34 8.124 9.486 1.720 264 HB3 LYS 34 3HB LYS 34 9.342 10.033 0.605 265 HG2 LYS 34 2HG LYS 34 10.528 9.095 2.348 266 HG3 LYS 34 3HG LYS 34 10.744 10.821 2.567 267 HD2 LYS 34 2HD LYS 34 8.542 9.417 4.124 268 HD3 LYS 34 3HD LYS 34 10.213 9.098 4.542 269 HE2 LYS 34 2HE LYS 34 9.853 10.791 5.977 270 HE3 LYS 34 3HE LYS 34 10.502 11.702 4.609 271 HZ1 LYS 34 3HZ LYS 34 8.297 12.315 4.020 272 HZ2 LYS 34 1HZ LYS 34 7.613 11.321 5.158 273 HZ3 LYS 34 2HZ LYS 34 8.480 12.657 5.603 274 H ASN 35 H ASN 35 6.370 11.301 -0.156 275 HA ASN 35 HA ASN 35 7.226 13.424 -1.947 276 HB2 ASN 35 2HB ASN 35 8.179 10.785 -2.424 277 HB3 ASN 35 3HB ASN 35 6.955 11.092 -3.654 278 HD21 ASN 35 1HD2 ASN 35 7.194 13.603 -4.538 279 HD22 ASN 35 2HD2 ASN 35 8.870 13.923 -4.966 280 H VAL 36 H VAL 36 5.163 14.002 -0.870 281 HA VAL 36 HA VAL 36 2.977 14.477 -1.004 282 HB VAL 36 HB VAL 36 3.487 13.594 -3.842 283 HG11 VAL 36 1HG1 VAL 36 1.186 12.976 -3.610 284 HG12 VAL 36 2HG1 VAL 36 0.814 14.468 -2.704 285 HG13 VAL 36 3HG1 VAL 36 1.254 14.528 -4.431 286 HG21 VAL 36 3HG2 VAL 36 2.741 16.245 -2.558 287 HG22 VAL 36 1HG2 VAL 36 4.386 15.744 -3.012 288 HG23 VAL 36 2HG2 VAL 36 3.153 15.972 -4.263 289 H ASP 37 H ASP 37 2.918 11.515 -2.886 290 HA ASP 37 HA ASP 37 2.274 9.730 -0.788 291 HB2 ASP 37 2HB ASP 37 0.052 11.003 -0.961 292 HB3 ASP 37 3HB ASP 37 -0.127 10.316 -2.567 293 H ASN 38 H ASN 38 4.138 9.939 -2.873 294 HA ASN 38 HA ASN 38 3.349 7.715 -4.696 295 HB2 ASN 38 2HB ASN 38 5.300 10.026 -4.994 296 HB3 ASN 38 3HB ASN 38 5.406 8.580 -5.997 297 HD21 ASN 38 1HD2 ASN 38 4.931 9.901 -7.936 298 HD22 ASN 38 2HD2 ASN 38 3.262 10.389 -8.189 299 H TYR 39 H TYR 39 5.002 8.287 -1.817 300 HA TYR 39 HA TYR 39 6.873 6.042 -2.312 301 HB2 TYR 39 2HB TYR 39 7.382 8.708 -0.937 302 HB3 TYR 39 3HB TYR 39 8.290 7.261 -0.552 303 HD1 TYR 39 HD2 TYR 39 7.284 8.689 -3.947 304 HD2 TYR 39 HD1 TYR 39 10.475 7.618 -1.251 305 HE1 TYR 39 HE2 TYR 39 8.911 9.308 -5.656 306 HE2 TYR 39 HE1 TYR 39 12.125 8.231 -2.996 307 HH TYR 39 HH TYR 39 11.187 9.609 -6.146 308 H ILE 40 H ILE 40 6.129 4.420 -1.022 309 HA ILE 40 HA ILE 40 5.203 5.054 1.659 310 HB ILE 40 HB ILE 40 3.563 3.143 -0.013 311 HG12 ILE 40 2HG1 ILE 40 2.701 6.014 0.477 312 HG13 ILE 40 3HG1 ILE 40 3.350 5.441 -1.067 313 HG21 ILE 40 1HG2 ILE 40 2.991 4.667 2.562 314 HG22 ILE 40 2HG2 ILE 40 1.945 3.436 1.829 315 HG23 ILE 40 3HG2 ILE 40 3.530 2.977 2.461 316 HD11 ILE 40 3HD1 ILE 40 0.675 5.211 -0.140 317 HD12 ILE 40 1HD1 ILE 40 1.375 4.666 -1.691 318 HD13 ILE 40 2HD1 ILE 40 1.327 3.568 -0.336 319 H SER 41 H SER 41 6.775 3.858 2.729 320 HA SER 41 HA SER 41 8.116 1.719 1.545 321 HB2 SER 41 2HB SER 41 8.963 3.027 3.463 322 HB3 SER 41 3HB SER 41 7.787 2.189 4.512 323 HG SER 41 HG SER 41 9.856 1.109 4.426 324 H ILE 42 H ILE 42 7.917 -0.413 1.543 325 HA ILE 42 HA ILE 42 5.519 -1.829 2.181 326 HB ILE 42 HB ILE 42 7.174 -2.662 0.617 327 HG12 ILE 42 2HG1 ILE 42 6.949 -4.630 2.911 328 HG13 ILE 42 3HG1 ILE 42 5.599 -4.180 1.854 329 HG21 ILE 42 1HG2 ILE 42 9.195 -1.896 2.087 330 HG22 ILE 42 2HG2 ILE 42 8.969 -3.410 2.965 331 HG23 ILE 42 3HG2 ILE 42 9.353 -3.428 1.227 332 HD11 ILE 42 3HD1 ILE 42 6.741 -6.245 1.084 333 HD12 ILE 42 1HD1 ILE 42 6.837 -4.946 -0.123 334 HD13 ILE 42 2HD1 ILE 42 8.248 -5.354 0.885 335 H ASP 43 H ASP 43 8.014 -0.516 4.253 336 HA ASP 43 HA ASP 43 7.529 -2.212 6.503 337 HB2 ASP 43 2HB ASP 43 8.345 0.716 6.420 338 HB3 ASP 43 3HB ASP 43 8.436 -0.346 7.830 339 H VAL 44 H VAL 44 5.824 0.801 5.337 340 HA VAL 44 HA VAL 44 4.117 0.947 7.655 341 HB VAL 44 HB VAL 44 4.562 2.392 5.098 342 HG11 VAL 44 1HG1 VAL 44 2.294 1.824 4.581 343 HG12 VAL 44 2HG1 VAL 44 1.746 2.283 6.219 344 HG13 VAL 44 3HG1 VAL 44 2.367 3.510 5.090 345 HG21 VAL 44 3HG2 VAL 44 3.573 3.200 7.860 346 HG22 VAL 44 1HG2 VAL 44 5.258 3.241 7.291 347 HG23 VAL 44 2HG2 VAL 44 4.034 4.315 6.575 348 H ILE 45 H ILE 45 3.897 -0.362 4.355 349 HA ILE 45 HA ILE 45 1.125 -1.069 4.635 350 HB ILE 45 HB ILE 45 3.087 -2.299 2.717 351 HG12 ILE 45 2HG1 ILE 45 1.532 0.246 2.028 352 HG13 ILE 45 3HG1 ILE 45 3.098 0.389 2.773 353 HG21 ILE 45 1HG2 ILE 45 1.130 -2.537 1.255 354 HG22 ILE 45 2HG2 ILE 45 0.676 -3.106 2.874 355 HG23 ILE 45 3HG2 ILE 45 0.145 -1.524 2.330 356 HD11 ILE 45 3HD1 ILE 45 2.497 -0.758 0.065 357 HD12 ILE 45 1HD1 ILE 45 3.554 0.586 0.505 358 HD13 ILE 45 2HD1 ILE 45 4.044 -1.063 0.879 359 H ALA 46 H ALA 46 4.175 -2.775 5.267 360 HA ALA 46 HA ALA 46 2.866 -5.299 5.837 361 HB1 ALA 46 1HB ALA 46 5.246 -5.229 5.124 362 HB2 ALA 46 2HB ALA 46 5.655 -4.309 6.594 363 HB3 ALA 46 3HB ALA 46 5.067 -5.978 6.723 364 H SER 47 H SER 47 3.516 -2.293 7.539 365 HA SER 47 HA SER 47 2.886 -3.545 10.153 366 HB2 SER 47 2HB SER 47 4.846 -2.019 9.810 367 HB3 SER 47 3HB SER 47 3.703 -0.695 9.512 368 HG SER 47 HG SER 47 4.354 -0.762 11.679 369 H PHE 48 H PHE 48 1.026 -2.633 7.627 370 HA PHE 48 HA PHE 48 -0.671 -0.698 8.756 371 HB2 PHE 48 2HB PHE 48 -0.301 -1.936 6.307 372 HB3 PHE 48 3HB PHE 48 -1.886 -2.531 6.744 373 HD1 PHE 48 2HD PHE 48 -2.504 0.343 8.235 374 HD2 PHE 48 1HD PHE 48 -1.200 -1.000 4.337 375 HE1 PHE 48 2HE PHE 48 -3.430 2.388 7.206 376 HE2 PHE 48 1HE PHE 48 -2.137 1.058 3.320 377 HZ PHE 48 HZ PHE 48 -3.279 2.717 4.765 378 H ASN 49 H ASN 49 -0.395 -3.414 10.291 379 HA ASN 49 HA ASN 49 -1.469 -5.074 11.239 380 HB2 ASN 49 2HB ASN 49 -2.839 -2.716 11.979 381 HB3 ASN 49 3HB ASN 49 -4.088 -3.939 11.741 382 HD21 ASN 49 1HD2 ASN 49 -3.878 -6.037 13.010 383 HD22 ASN 49 2HD2 ASN 49 -2.900 -5.961 14.465 384 H ARG 50 H ARG 50 -4.262 -3.762 9.408 385 HA ARG 50 HA ARG 50 -5.415 -6.249 8.791 386 HB2 ARG 50 2HB ARG 50 -5.975 -3.543 8.295 387 HB3 ARG 50 3HB ARG 50 -5.774 -4.211 6.676 388 HG2 ARG 50 2HG ARG 50 -7.416 -6.049 7.384 389 HG3 ARG 50 3HG ARG 50 -7.675 -5.108 8.869 390 HD2 ARG 50 2HD ARG 50 -8.076 -3.098 7.214 391 HD3 ARG 50 3HD ARG 50 -8.347 -4.346 5.999 392 HE ARG 50 HE ARG 50 -10.114 -3.442 8.035 393 HH11 ARG 50 2HH2 ARG 50 -9.222 -6.427 6.392 394 HH12 ARG 50 1HH2 ARG 50 -10.718 -7.242 6.694 395 HH21 ARG 50 2HH1 ARG 50 -12.137 -4.482 8.437 396 HH22 ARG 50 1HH1 ARG 50 -12.423 -6.088 7.880 397 H MET 51 H MET 51 -2.909 -4.497 6.889 398 HA MET 51 HA MET 51 -3.011 -6.479 4.751 399 HB2 MET 51 2HB MET 51 -1.326 -4.092 5.324 400 HB3 MET 51 3HB MET 51 -0.483 -5.430 4.555 401 HG2 MET 51 2HG MET 51 -1.197 -4.230 2.753 402 HG3 MET 51 3HG MET 51 -2.389 -5.505 2.853 403 HE1 MET 51 3HE MET 51 -4.832 -5.151 3.035 404 HE2 MET 51 1HE MET 51 -4.694 -4.679 4.739 405 HE3 MET 51 2HE MET 51 -5.641 -3.672 3.635 406 H LYS 52 H LYS 52 -0.985 -6.025 7.710 407 HA LYS 52 HA LYS 52 0.872 -8.066 7.116 408 HB2 LYS 52 2HB LYS 52 0.727 -6.178 8.961 409 HB3 LYS 52 3HB LYS 52 -0.102 -7.377 9.920 410 HG2 LYS 52 2HG LYS 52 2.649 -7.855 8.658 411 HG3 LYS 52 3HG LYS 52 2.406 -7.139 10.260 412 HD2 LYS 52 2HD LYS 52 1.013 -9.199 10.831 413 HD3 LYS 52 3HD LYS 52 1.714 -9.950 9.375 414 HE2 LYS 52 2HE LYS 52 3.915 -9.848 10.205 415 HE3 LYS 52 3HE LYS 52 3.516 -8.589 11.382 416 HZ1 LYS 52 3HZ LYS 52 3.817 -10.714 12.442 417 HZ2 LYS 52 1HZ LYS 52 2.270 -10.197 12.635 418 HZ3 LYS 52 2HZ LYS 52 2.611 -11.390 11.547 419 H THR 53 H THR 53 -2.327 -8.122 8.616 420 HA THR 53 HA THR 53 -2.177 -10.913 9.386 421 HB THR 53 HB THR 53 -4.661 -10.503 9.856 422 HG1 THR 53 1HG THR 53 -4.032 -7.795 9.525 423 HG21 THR 53 1HG2 THR 53 -2.887 -10.273 11.550 424 HG22 THR 53 2HG2 THR 53 -2.543 -8.623 11.005 425 HG23 THR 53 3HG2 THR 53 -4.107 -9.000 11.774 426 H ILE 54 H ILE 54 -3.905 -9.104 6.751 427 HA ILE 54 HA ILE 54 -5.031 -11.521 5.704 428 HB ILE 54 HB ILE 54 -4.479 -8.851 4.367 429 HG12 ILE 54 2HG1 ILE 54 -7.129 -10.005 5.342 430 HG13 ILE 54 3HG1 ILE 54 -6.112 -9.011 6.372 431 HG21 ILE 54 1HG2 ILE 54 -6.176 -9.586 2.651 432 HG22 ILE 54 2HG2 ILE 54 -4.744 -10.600 2.615 433 HG23 ILE 54 3HG2 ILE 54 -6.208 -11.190 3.409 434 HD11 ILE 54 3HD1 ILE 54 -6.203 -7.174 4.645 435 HD12 ILE 54 1HD1 ILE 54 -7.401 -8.143 3.754 436 HD13 ILE 54 2HD1 ILE 54 -7.762 -7.576 5.388 437 H SER 55 H SER 55 -1.877 -10.039 5.232 438 HA SER 55 HA SER 55 -1.226 -11.816 2.962 439 HB2 SER 55 2HB SER 55 1.008 -10.841 3.093 440 HB3 SER 55 3HB SER 55 -0.166 -9.525 3.216 441 HG SER 55 HG SER 55 0.275 -9.245 5.261 442 H THR 56 H THR 56 -0.556 -11.561 6.387 443 HA THR 56 HA THR 56 0.436 -12.845 7.878 444 HB THR 56 HB THR 56 -0.483 -14.975 5.936 445 HG1 THR 56 1HG THR 56 -1.957 -13.690 7.188 446 HG21 THR 56 1HG2 THR 56 -0.231 -16.605 7.830 447 HG22 THR 56 2HG2 THR 56 1.325 -16.089 7.161 448 HG23 THR 56 3HG2 THR 56 0.745 -15.402 8.701 449 H ASP 57 H ASP 57 1.926 -12.164 4.900 450 HA ASP 57 HA ASP 57 4.508 -12.948 5.913 451 HB2 ASP 57 2HB ASP 57 3.467 -15.037 4.789 452 HB3 ASP 57 3HB ASP 57 3.601 -14.146 3.267 453 H LEU 58 H LEU 58 6.062 -11.825 4.851 454 HA LEU 58 HA LEU 58 5.398 -9.327 3.528 455 HB2 LEU 58 2HB LEU 58 8.022 -10.790 4.007 456 HB3 LEU 58 3HB LEU 58 7.929 -9.184 3.288 457 HG LEU 58 HG LEU 58 6.531 -9.545 5.926 458 HD11 LEU 58 1HD1 LEU 58 9.561 -9.397 5.671 459 HD12 LEU 58 2HD1 LEU 58 8.627 -9.228 7.176 460 HD13 LEU 58 3HD1 LEU 58 8.623 -10.769 6.303 461 HD21 LEU 58 3HD2 LEU 58 6.566 -7.371 4.700 462 HD22 LEU 58 1HD2 LEU 58 7.355 -7.272 6.287 463 HD23 LEU 58 2HD2 LEU 58 8.339 -7.356 4.814 464 H GLN 59 H GLN 59 5.912 -12.539 2.489 465 HA GLN 59 HA GLN 59 6.742 -12.057 -0.218 466 HB2 GLN 59 2HB GLN 59 6.915 -14.247 0.993 467 HB3 GLN 59 3HB GLN 59 5.147 -14.365 0.961 468 HG2 GLN 59 2HG GLN 59 5.293 -14.110 -1.600 469 HG3 GLN 59 3HG GLN 59 7.046 -14.242 -1.438 470 HE21 GLN 59 1HE2 GLN 59 5.645 -16.012 -3.085 471 HE22 GLN 59 2HE2 GLN 59 5.655 -17.588 -2.303 472 H LEU 60 H LEU 60 3.518 -12.718 1.357 473 HA LEU 60 HA LEU 60 2.166 -12.320 -1.165 474 HB2 LEU 60 2HB LEU 60 1.411 -13.122 1.533 475 HB3 LEU 60 3HB LEU 60 0.351 -11.827 1.003 476 HG LEU 60 HG LEU 60 -0.595 -13.984 0.448 477 HD11 LEU 60 1HD1 LEU 60 -1.003 -12.053 -1.087 478 HD12 LEU 60 2HD1 LEU 60 0.299 -12.638 -2.139 479 HD13 LEU 60 3HD1 LEU 60 -1.135 -13.637 -1.877 480 HD21 LEU 60 3HD2 LEU 60 0.436 -15.518 -1.149 481 HD22 LEU 60 1HD2 LEU 60 1.858 -14.473 -1.301 482 HD23 LEU 60 2HD2 LEU 60 1.502 -15.271 0.245 483 H ILE 61 H ILE 61 3.099 -10.238 1.506 484 HA ILE 61 HA ILE 61 1.514 -8.005 0.634 485 HB ILE 61 HB ILE 61 3.130 -8.610 2.850 486 HG12 ILE 61 2HG1 ILE 61 0.956 -7.457 2.752 487 HG13 ILE 61 3HG1 ILE 61 2.117 -6.694 3.835 488 HG21 ILE 61 1HG2 ILE 61 4.295 -6.120 1.526 489 HG22 ILE 61 2HG2 ILE 61 4.518 -6.606 3.213 490 HG23 ILE 61 3HG2 ILE 61 5.149 -7.625 1.921 491 HD11 ILE 61 3HD1 ILE 61 2.494 -4.870 2.341 492 HD12 ILE 61 1HD1 ILE 61 1.732 -5.715 0.974 493 HD13 ILE 61 2HD1 ILE 61 0.739 -5.170 2.320 494 H THR 62 H THR 62 4.838 -9.071 -0.153 495 HA THR 62 HA THR 62 5.324 -6.566 -1.575 496 HB THR 62 HB THR 62 7.116 -7.928 -0.369 497 HG1 THR 62 1HG THR 62 7.674 -6.231 -1.673 498 HG21 THR 62 1HG2 THR 62 7.199 -9.480 -2.987 499 HG22 THR 62 2HG2 THR 62 8.333 -9.591 -1.629 500 HG23 THR 62 3HG2 THR 62 6.665 -10.145 -1.427 501 H GLU 63 H GLU 63 4.296 -9.865 -2.375 502 HA GLU 63 HA GLU 63 4.498 -9.456 -5.234 503 HB2 GLU 63 2HB GLU 63 4.352 -11.754 -4.225 504 HB3 GLU 63 3HB GLU 63 2.690 -11.396 -3.707 505 HG2 GLU 63 2HG GLU 63 2.121 -10.909 -6.141 506 HG3 GLU 63 3HG GLU 63 3.746 -11.432 -6.579 507 H ALA 64 H ALA 64 1.956 -8.998 -2.790 508 HA ALA 64 HA ALA 64 -0.169 -8.468 -4.626 509 HB1 ALA 64 1HB ALA 64 -1.176 -7.228 -2.716 510 HB2 ALA 64 2HB ALA 64 -0.576 -8.848 -2.273 511 HB3 ALA 64 3HB ALA 64 0.357 -7.394 -1.820 512 H LEU 65 H LEU 65 2.267 -6.375 -3.114 513 HA LEU 65 HA LEU 65 1.356 -3.925 -4.325 514 HB2 LEU 65 2HB LEU 65 3.903 -4.909 -3.009 515 HB3 LEU 65 3HB LEU 65 3.907 -3.340 -3.781 516 HG LEU 65 HG LEU 65 1.795 -4.119 -1.740 517 HD11 LEU 65 1HD1 LEU 65 3.111 -3.022 -0.036 518 HD12 LEU 65 2HD1 LEU 65 4.089 -4.292 -0.764 519 HD13 LEU 65 3HD1 LEU 65 4.383 -2.590 -1.209 520 HD21 LEU 65 3HD2 LEU 65 2.805 -1.343 -2.526 521 HD22 LEU 65 1HD2 LEU 65 1.374 -2.097 -3.263 522 HD23 LEU 65 2HD2 LEU 65 1.380 -1.757 -1.543 523 H LYS 66 H LYS 66 3.720 -6.421 -5.298 524 HA LYS 66 HA LYS 66 4.652 -5.017 -7.610 525 HB2 LYS 66 2HB LYS 66 5.622 -7.111 -6.382 526 HB3 LYS 66 3HB LYS 66 4.525 -8.040 -7.419 527 HG2 LYS 66 2HG LYS 66 5.624 -6.803 -9.403 528 HG3 LYS 66 3HG LYS 66 6.800 -6.177 -8.228 529 HD2 LYS 66 2HD LYS 66 7.213 -8.646 -7.567 530 HD3 LYS 66 3HD LYS 66 6.236 -9.071 -8.980 531 HE2 LYS 66 2HE LYS 66 8.351 -9.120 -9.914 532 HE3 LYS 66 3HE LYS 66 7.863 -7.459 -10.278 533 HZ1 LYS 66 3HZ LYS 66 10.077 -7.526 -9.370 534 HZ2 LYS 66 1HZ LYS 66 9.093 -6.773 -8.285 535 HZ3 LYS 66 2HZ LYS 66 9.572 -8.326 -8.027 536 H LYS 67 H LYS 67 1.782 -6.946 -7.047 537 HA LYS 67 HA LYS 67 0.924 -6.743 -9.898 538 HB2 LYS 67 2HB LYS 67 0.120 -8.563 -7.575 539 HB3 LYS 67 3HB LYS 67 -0.897 -8.355 -9.003 540 HG2 LYS 67 2HG LYS 67 0.852 -9.197 -10.468 541 HG3 LYS 67 3HG LYS 67 1.932 -9.459 -9.078 542 HD2 LYS 67 2HD LYS 67 0.493 -11.130 -8.147 543 HD3 LYS 67 3HD LYS 67 -0.874 -10.640 -9.163 544 HE2 LYS 67 2HE LYS 67 0.338 -11.430 -11.181 545 HE3 LYS 67 3HE LYS 67 1.661 -12.002 -10.146 546 HZ1 LYS 67 3HZ LYS 67 -1.146 -12.960 -10.070 547 HZ2 LYS 67 1HZ LYS 67 0.071 -13.776 -10.678 548 HZ3 LYS 67 2HZ LYS 67 0.055 -13.463 -9.050 549 H SER 68 H SER 68 1.018 -4.332 -8.458 550 HA SER 68 HA SER 68 -1.378 -3.868 -7.021 551 HB2 SER 68 2HB SER 68 -0.798 -1.397 -7.835 552 HB3 SER 68 3HB SER 68 0.040 -2.179 -6.525 553 HG SER 68 HG SER 68 1.753 -2.584 -7.796 554 H THR 69 H THR 69 -3.070 -2.309 -7.741 555 HA THR 69 HA THR 69 -3.911 -2.833 -10.551 556 HB THR 69 HB THR 69 -5.189 -4.230 -9.079 557 HG1 THR 69 1HG THR 69 -7.248 -3.340 -9.655 558 HG21 THR 69 1HG2 THR 69 -6.669 -2.037 -7.674 559 HG22 THR 69 2HG2 THR 69 -6.317 -3.664 -7.141 560 HG23 THR 69 3HG2 THR 69 -5.075 -2.440 -7.006 561 H ARG 70 H ARG 70 -5.134 -0.746 -7.900 562 HA ARG 70 HA ARG 70 -5.366 1.468 -9.751 563 HB2 ARG 70 2HB ARG 70 -6.866 0.533 -7.759 564 HB3 ARG 70 3HB ARG 70 -5.884 1.608 -6.772 565 HG2 ARG 70 2HG ARG 70 -7.411 2.509 -9.260 566 HG3 ARG 70 3HG ARG 70 -8.184 2.356 -7.691 567 HD2 ARG 70 2HD ARG 70 -5.882 4.238 -8.219 568 HD3 ARG 70 3HD ARG 70 -7.595 4.665 -8.182 569 HE ARG 70 HE ARG 70 -6.953 3.261 -5.820 570 HH11 ARG 70 2HH2 ARG 70 -6.658 6.491 -7.303 571 HH12 ARG 70 1HH2 ARG 70 -6.506 7.313 -5.809 572 HH21 ARG 70 2HH1 ARG 70 -6.842 4.343 -3.841 573 HH22 ARG 70 1HH1 ARG 70 -6.704 6.054 -3.743 574 H LEU 71 H LEU 71 -2.598 0.284 -8.148 575 HA LEU 71 HA LEU 71 -1.551 2.984 -8.012 576 HB2 LEU 71 2HB LEU 71 -0.770 0.885 -5.919 577 HB3 LEU 71 3HB LEU 71 -0.359 2.552 -6.054 578 HG LEU 71 HG LEU 71 -3.063 2.829 -5.853 579 HD11 LEU 71 1HD1 LEU 71 -3.381 0.362 -5.603 580 HD12 LEU 71 2HD1 LEU 71 -2.330 0.396 -4.175 581 HD13 LEU 71 3HD1 LEU 71 -3.883 1.258 -4.163 582 HD21 LEU 71 3HD2 LEU 71 -1.241 3.902 -4.458 583 HD22 LEU 71 1HD2 LEU 71 -2.730 3.504 -3.620 584 HD23 LEU 71 2HD2 LEU 71 -1.292 2.466 -3.422 585 H GLN 72 H GLN 72 0.996 2.577 -7.909 586 HA GLN 72 HA GLN 72 1.783 0.297 -9.642 587 HB2 GLN 72 2HB GLN 72 2.014 3.282 -10.163 588 HB3 GLN 72 3HB GLN 72 3.333 2.224 -10.649 589 HG2 GLN 72 2HG GLN 72 0.914 0.971 -11.559 590 HG3 GLN 72 3HG GLN 72 0.821 2.680 -11.993 591 HE21 GLN 72 1HE2 GLN 72 1.821 3.186 -13.978 592 HE22 GLN 72 2HE2 GLN 72 3.138 2.226 -14.640 593 H VAL 73 H VAL 73 3.436 -0.665 -8.681 594 HA VAL 73 HA VAL 73 4.881 0.683 -6.488 595 HB VAL 73 HB VAL 73 4.347 -2.175 -7.322 596 HG11 VAL 73 1HG1 VAL 73 6.701 -2.260 -6.719 597 HG12 VAL 73 2HG1 VAL 73 6.416 -1.203 -5.312 598 HG13 VAL 73 3HG1 VAL 73 5.763 -2.858 -5.342 599 HG21 VAL 73 3HG2 VAL 73 2.963 -0.460 -5.754 600 HG22 VAL 73 1HG2 VAL 73 3.064 -2.147 -5.360 601 HG23 VAL 73 2HG2 VAL 73 4.164 -1.047 -4.556 602 H SER 74 H SER 74 6.995 1.191 -6.596 603 HA SER 74 HA SER 74 8.712 0.090 -8.686 604 HB2 SER 74 2HB SER 74 8.255 3.093 -8.649 605 HB3 SER 74 3HB SER 74 9.112 2.125 -9.862 606 HG SER 74 HG SER 74 6.896 1.127 -10.149 607 H GLU 75 H GLU 75 10.650 2.085 -8.663 608 HA GLU 75 HA GLU 75 12.419 2.831 -7.671 609 HB2 GLU 75 2HB GLU 75 10.641 3.809 -6.000 610 HB3 GLU 75 3HB GLU 75 11.224 2.564 -4.901 611 HG2 GLU 75 2HG GLU 75 12.440 4.626 -4.499 612 HG3 GLU 75 3HG GLU 75 13.549 3.431 -5.182 613 H ASP 76 H ASP 76 11.134 0.469 -5.408 614 HA ASP 76 HA ASP 76 13.056 -1.605 -6.145 615 HB2 ASP 76 2HB ASP 76 14.450 -0.082 -4.711 616 HB3 ASP 76 3HB ASP 76 13.313 -0.334 -3.383 617 H GLY 77 H GLY 77 10.051 -1.149 -5.833 618 HA2 GLY 77 2HA GLY 77 8.243 -2.294 -4.894 619 HA3 GLY 77 3HA GLY 77 9.367 -3.522 -4.304 620 H LYS 78 H LYS 78 10.207 -0.334 -3.351 621 HA LYS 78 HA LYS 78 9.007 -0.743 -0.662 622 HB2 LYS 78 2HB LYS 78 11.653 -0.579 -1.305 623 HB3 LYS 78 3HB LYS 78 11.309 1.133 -1.158 624 HG2 LYS 78 2HG LYS 78 11.553 0.938 1.078 625 HG3 LYS 78 3HG LYS 78 10.109 -0.074 1.132 626 HD2 LYS 78 2HD LYS 78 11.579 -2.073 0.587 627 HD3 LYS 78 3HD LYS 78 12.983 -0.993 0.677 628 HE2 LYS 78 2HE LYS 78 12.254 -0.411 3.058 629 HE3 LYS 78 3HE LYS 78 11.046 -1.690 2.934 630 HZ1 LYS 78 3HZ LYS 78 13.962 -2.039 2.721 631 HZ2 LYS 78 1HZ LYS 78 12.993 -2.514 3.969 632 HZ3 LYS 78 2HZ LYS 78 12.863 -3.244 2.496 633 H MET 79 H MET 79 8.134 0.763 -3.420 634 HA MET 79 HA MET 79 6.825 2.851 -1.921 635 HB2 MET 79 2HB MET 79 8.711 3.413 -4.287 636 HB3 MET 79 3HB MET 79 7.415 4.509 -3.833 637 HG2 MET 79 2HG MET 79 9.116 5.484 -2.713 638 HG3 MET 79 3HG MET 79 8.494 4.431 -1.446 639 HE1 MET 79 3HE MET 79 10.325 3.937 0.163 640 HE2 MET 79 1HE MET 79 12.038 4.147 -0.267 641 HE3 MET 79 2HE MET 79 10.887 5.477 -0.521 642 H VAL 80 H VAL 80 5.016 3.802 -3.091 643 HA VAL 80 HA VAL 80 4.151 2.433 -5.489 644 HB VAL 80 HB VAL 80 3.514 0.792 -3.936 645 HG11 VAL 80 1HG1 VAL 80 2.613 2.957 -2.116 646 HG12 VAL 80 2HG1 VAL 80 2.120 1.264 -1.898 647 HG13 VAL 80 3HG1 VAL 80 3.832 1.705 -1.822 648 HG21 VAL 80 3HG2 VAL 80 1.021 2.484 -4.180 649 HG22 VAL 80 1HG2 VAL 80 1.704 1.512 -5.515 650 HG23 VAL 80 2HG2 VAL 80 1.118 0.719 -4.040 651 H ARG 81 H ARG 81 2.596 3.638 -6.574 652 HA ARG 81 HA ARG 81 1.745 6.192 -5.254 653 HB2 ARG 81 2HB ARG 81 2.104 6.137 -8.236 654 HB3 ARG 81 3HB ARG 81 2.195 7.460 -7.089 655 HG2 ARG 81 2HG ARG 81 4.351 7.265 -7.837 656 HG3 ARG 81 3HG ARG 81 4.425 6.381 -6.312 657 HD2 ARG 81 2HD ARG 81 4.785 4.352 -7.357 658 HD3 ARG 81 3HD ARG 81 3.816 4.807 -8.772 659 HE ARG 81 HE ARG 81 6.458 6.067 -8.235 660 HH11 ARG 81 2HH2 ARG 81 4.656 3.848 -10.254 661 HH12 ARG 81 1HH2 ARG 81 5.518 4.170 -11.713 662 HH21 ARG 81 2HH1 ARG 81 7.697 6.515 -10.153 663 HH22 ARG 81 1HH1 ARG 81 7.318 5.712 -11.632 664 H ARG 82 H ARG 82 -0.479 6.491 -5.332 665 HA ARG 82 HA ARG 82 -2.214 4.640 -6.654 666 HB2 ARG 82 2HB ARG 82 -4.006 6.120 -6.063 667 HB3 ARG 82 3HB ARG 82 -2.956 5.997 -4.703 668 HG2 ARG 82 2HG ARG 82 -2.316 8.300 -6.514 669 HG3 ARG 82 3HG ARG 82 -3.951 8.335 -5.857 670 HD2 ARG 82 2HD ARG 82 -2.216 9.629 -4.584 671 HD3 ARG 82 3HD ARG 82 -3.233 8.537 -3.653 672 HE ARG 82 HE ARG 82 -0.341 8.313 -4.181 673 HH11 ARG 82 2HH2 ARG 82 -2.743 7.526 -1.921 674 HH12 ARG 82 1HH2 ARG 82 -2.323 5.875 -1.690 675 HH21 ARG 82 2HH1 ARG 82 0.741 6.578 -3.094 676 HH22 ARG 82 1HH1 ARG 82 -0.016 6.229 -1.654 677 H LEU 83 H LEU 83 -4.045 5.777 -8.067 678 HA LEU 83 HA LEU 83 -2.810 6.832 -10.509 679 HB2 LEU 83 2HB LEU 83 -5.536 5.913 -9.572 680 HB3 LEU 83 3HB LEU 83 -5.506 7.056 -10.887 681 HG LEU 83 HG LEU 83 -3.732 4.617 -11.059 682 HD11 LEU 83 1HD1 LEU 83 -5.899 3.689 -10.517 683 HD12 LEU 83 2HD1 LEU 83 -6.715 4.748 -11.687 684 HD13 LEU 83 3HD1 LEU 83 -5.615 3.463 -12.245 685 HD21 LEU 83 3HD2 LEU 83 -4.094 4.987 -13.468 686 HD22 LEU 83 1HD2 LEU 83 -5.262 6.278 -13.122 687 HD23 LEU 83 2HD2 LEU 83 -3.544 6.497 -12.716 688 H ASP 84 H ASP 84 -3.050 8.954 -11.174 689 HA ASP 84 HA ASP 84 -3.267 11.106 -9.419 690 HB2 ASP 84 2HB ASP 84 -3.364 10.705 -12.383 691 HB3 ASP 84 3HB ASP 84 -4.062 12.211 -11.788 692 HA PRO 85 HA PRO 85 -7.826 11.741 -10.488 693 HB2 PRO 85 2HB PRO 85 -9.331 9.728 -11.634 694 HB3 PRO 85 3HB PRO 85 -8.458 10.985 -12.567 695 HG2 PRO 85 2HG PRO 85 -7.507 8.187 -11.886 696 HG3 PRO 85 3HG PRO 85 -7.511 8.990 -13.492 697 HD2 PRO 85 2HD PRO 85 -5.278 8.952 -12.003 698 HD3 PRO 85 3HD PRO 85 -5.738 10.447 -12.858 699 H LEU 86 H LEU 86 -9.615 11.296 -9.167 700 HA LEU 86 HA LEU 86 -9.045 9.868 -6.767 701 HB2 LEU 86 2HB LEU 86 -11.494 11.182 -7.980 702 HB3 LEU 86 3HB LEU 86 -11.650 10.271 -6.483 703 HG LEU 86 HG LEU 86 -9.449 12.331 -6.652 704 HD11 LEU 86 1HD1 LEU 86 -11.379 13.550 -7.516 705 HD12 LEU 86 2HD1 LEU 86 -12.388 12.969 -6.171 706 HD13 LEU 86 3HD1 LEU 86 -11.028 14.073 -5.860 707 HD21 LEU 86 3HD2 LEU 86 -9.670 10.847 -4.664 708 HD22 LEU 86 1HD2 LEU 86 -9.973 12.541 -4.245 709 HD23 LEU 86 2HD2 LEU 86 -11.335 11.420 -4.427 710 HA PRO 87 HA PRO 87 -10.358 5.865 -8.079 711 HB2 PRO 87 2HB PRO 87 -10.893 4.640 -5.689 712 HB3 PRO 87 3HB PRO 87 -9.256 5.007 -6.258 713 HG2 PRO 87 2HG PRO 87 -10.869 6.499 -4.178 714 HG3 PRO 87 3HG PRO 87 -9.111 6.210 -4.274 715 HD2 PRO 87 2HD PRO 87 -10.389 8.570 -5.061 716 HD3 PRO 87 3HD PRO 87 -8.749 8.058 -5.563 717 H GLU 88 H GLU 88 -12.234 4.622 -8.394 718 HA GLU 88 HA GLU 88 -14.759 5.565 -7.148 719 HB2 GLU 88 2HB GLU 88 -14.108 5.280 -10.099 720 HB3 GLU 88 3HB GLU 88 -15.764 5.073 -9.493 721 HG2 GLU 88 2HG GLU 88 -15.701 7.302 -8.455 722 HG3 GLU 88 3HG GLU 88 -14.062 7.561 -9.071 723 H ASN 89 H ASN 89 -13.897 3.686 -5.826 724 HA ASN 89 HA ASN 89 -14.099 1.540 -5.100 725 HB2 ASN 89 2HB ASN 89 -16.364 1.371 -7.120 726 HB3 ASN 89 3HB ASN 89 -16.069 0.269 -5.788 727 HD21 ASN 89 1HD2 ASN 89 -17.118 3.569 -6.628 728 HD22 ASN 89 2HD2 ASN 89 -17.833 3.901 -5.051 729 H ILE 90 H ILE 90 -11.890 1.221 -6.303 730 HA ILE 90 HA ILE 90 -12.359 -0.535 -8.656 731 HB ILE 90 HB ILE 90 -10.003 1.176 -7.812 732 HG12 ILE 90 2HG1 ILE 90 -11.736 1.318 -10.316 733 HG13 ILE 90 3HG1 ILE 90 -12.051 2.273 -8.872 734 HG21 ILE 90 1HG2 ILE 90 -8.892 0.492 -9.928 735 HG22 ILE 90 2HG2 ILE 90 -9.103 -0.868 -8.840 736 HG23 ILE 90 3HG2 ILE 90 -10.198 -0.672 -10.227 737 HD11 ILE 90 3HD1 ILE 90 -9.847 3.367 -9.067 738 HD12 ILE 90 1HD1 ILE 90 -9.562 2.492 -10.596 739 HD13 ILE 90 2HD1 ILE 90 -10.895 3.645 -10.465 740 H ASP 91 H ASP 91 -10.900 -2.497 -8.790 741 HA ASP 91 HA ASP 91 -10.314 -3.664 -6.129 742 HB2 ASP 91 2HB ASP 91 -11.963 -4.744 -8.448 743 HB3 ASP 91 3HB ASP 91 -11.039 -5.835 -7.427 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -0.486 -17.759 -2.517 2 H2 MET 1 H2 MET 1 0.385 -16.722 -1.561 3 H3 MET 1 H3 MET 1 -1.262 -16.757 -1.477 4 HA MET 1 HA MET 1 -1.039 -14.946 -2.733 5 HB2 MET 1 2HB MET 1 1.594 -15.702 -2.897 6 HB3 MET 1 3HB MET 1 1.114 -15.814 -4.586 7 HG2 MET 1 2HG MET 1 0.433 -13.442 -2.795 8 HG3 MET 1 3HG MET 1 1.939 -13.539 -3.689 9 HE1 MET 1 1HE MET 1 -0.203 -10.716 -5.349 10 HE2 MET 1 2HE MET 1 -0.737 -11.295 -3.751 11 HE3 MET 1 3HE MET 1 0.980 -11.121 -4.087 12 H SER 2 H SER 2 -2.684 -17.474 -3.074 13 HA SER 2 HA SER 2 -2.988 -17.863 -5.880 14 HB2 SER 2 2HB SER 2 -5.098 -18.027 -3.694 15 HB3 SER 2 3HB SER 2 -4.978 -18.987 -5.182 16 HG SER 2 HG SER 2 -4.240 -20.197 -3.433 17 H GLU 3 H GLU 3 -4.936 -16.891 -7.074 18 HA GLU 3 HA GLU 3 -4.899 -14.101 -6.921 19 HB2 GLU 3 2HB GLU 3 -6.968 -15.975 -8.122 20 HB3 GLU 3 3HB GLU 3 -6.953 -14.212 -8.359 21 HG2 GLU 3 2HG GLU 3 -4.628 -14.353 -9.242 22 HG3 GLU 3 3HG GLU 3 -4.680 -16.115 -9.091 23 H GLU 4 H GLU 4 -6.958 -16.347 -5.109 24 HA GLU 4 HA GLU 4 -8.787 -14.446 -4.098 25 HB2 GLU 4 2HB GLU 4 -7.560 -16.907 -2.794 26 HB3 GLU 4 3HB GLU 4 -8.912 -15.980 -2.113 27 HG2 GLU 4 2HG GLU 4 -10.255 -16.403 -4.147 28 HG3 GLU 4 3HG GLU 4 -8.925 -17.344 -4.844 29 H THR 5 H THR 5 -5.540 -15.426 -2.590 30 HA THR 5 HA THR 5 -5.957 -13.475 -0.526 31 HB THR 5 HB THR 5 -3.201 -14.373 -1.359 32 HG1 THR 5 1HG THR 5 -5.096 -16.058 -0.111 33 HG21 THR 5 1HG2 THR 5 -2.952 -14.610 1.126 34 HG22 THR 5 2HG2 THR 5 -3.431 -12.969 0.650 35 HG23 THR 5 3HG2 THR 5 -4.629 -14.086 1.328 36 H SER 6 H SER 6 -4.237 -13.507 -3.606 37 HA SER 6 HA SER 6 -2.801 -11.118 -3.371 38 HB2 SER 6 2HB SER 6 -2.596 -12.868 -5.200 39 HB3 SER 6 3HB SER 6 -4.129 -12.309 -5.864 40 HG SER 6 HG SER 6 -3.204 -10.360 -6.378 41 H THR 7 H THR 7 -5.939 -11.695 -4.712 42 HA THR 7 HA THR 7 -6.502 -8.922 -5.222 43 HB THR 7 HB THR 7 -8.429 -11.273 -5.299 44 HG1 THR 7 1HG THR 7 -7.057 -11.762 -6.811 45 HG21 THR 7 1HG2 THR 7 -8.503 -8.524 -6.619 46 HG22 THR 7 2HG2 THR 7 -9.618 -9.859 -6.976 47 HG23 THR 7 3HG2 THR 7 -9.624 -9.119 -5.366 48 H GLN 8 H GLN 8 -7.190 -11.053 -2.501 49 HA GLN 8 HA GLN 8 -9.189 -9.339 -1.287 50 HB2 GLN 8 2HB GLN 8 -7.213 -11.421 -0.290 51 HB3 GLN 8 3HB GLN 8 -8.087 -10.427 0.860 52 HG2 GLN 8 2HG GLN 8 -9.562 -11.960 -1.310 53 HG3 GLN 8 3HG GLN 8 -9.099 -12.719 0.218 54 HE21 GLN 8 1HE2 GLN 8 -11.695 -11.178 -1.263 55 HE22 GLN 8 2HE2 GLN 8 -12.450 -10.585 0.211 56 H ILE 9 H ILE 9 -5.629 -9.455 -1.344 57 HA ILE 9 HA ILE 9 -5.567 -7.328 0.686 58 HB ILE 9 HB ILE 9 -4.014 -9.431 0.369 59 HG12 ILE 9 2HG1 ILE 9 -3.020 -6.685 1.282 60 HG13 ILE 9 3HG1 ILE 9 -4.072 -7.748 2.222 61 HG21 ILE 9 1HG2 ILE 9 -3.057 -8.705 -1.820 62 HG22 ILE 9 2HG2 ILE 9 -2.293 -7.338 -0.971 63 HG23 ILE 9 3HG2 ILE 9 -1.869 -9.021 -0.571 64 HD11 ILE 9 3HD1 ILE 9 -1.191 -8.311 1.414 65 HD12 ILE 9 1HD1 ILE 9 -1.862 -8.027 3.031 66 HD13 ILE 9 2HD1 ILE 9 -2.281 -9.517 2.134 67 H LEU 10 H LEU 10 -5.137 -7.746 -2.723 68 HA LEU 10 HA LEU 10 -4.038 -5.207 -3.419 69 HB2 LEU 10 2HB LEU 10 -5.222 -7.430 -4.800 70 HB3 LEU 10 3HB LEU 10 -6.104 -6.037 -5.292 71 HG LEU 10 HG LEU 10 -3.594 -5.065 -5.602 72 HD11 LEU 10 1HD1 LEU 10 -2.108 -6.849 -6.392 73 HD12 LEU 10 2HD1 LEU 10 -2.572 -7.133 -4.702 74 HD13 LEU 10 3HD1 LEU 10 -3.324 -8.076 -6.000 75 HD21 LEU 10 3HD2 LEU 10 -3.873 -5.677 -7.969 76 HD22 LEU 10 1HD2 LEU 10 -4.902 -7.052 -7.542 77 HD23 LEU 10 2HD2 LEU 10 -5.482 -5.393 -7.323 78 H LYS 11 H LYS 11 -7.468 -6.271 -3.215 79 HA LYS 11 HA LYS 11 -8.599 -3.666 -3.646 80 HB2 LYS 11 2HB LYS 11 -9.582 -6.267 -2.436 81 HB3 LYS 11 3HB LYS 11 -10.468 -4.793 -2.078 82 HG2 LYS 11 2HG LYS 11 -11.499 -5.859 -3.932 83 HG3 LYS 11 3HG LYS 11 -10.821 -4.323 -4.447 84 HD2 LYS 11 2HD LYS 11 -9.008 -6.650 -4.872 85 HD3 LYS 11 3HD LYS 11 -10.550 -6.743 -5.725 86 HE2 LYS 11 2HE LYS 11 -10.054 -4.290 -6.420 87 HE3 LYS 11 3HE LYS 11 -8.378 -4.634 -5.984 88 HZ1 LYS 11 3HZ LYS 11 -9.005 -4.993 -8.308 89 HZ2 LYS 11 1HZ LYS 11 -8.449 -6.425 -7.652 90 HZ3 LYS 11 2HZ LYS 11 -10.073 -6.104 -7.903 91 H GLN 12 H GLN 12 -7.473 -5.378 -0.734 92 HA GLN 12 HA GLN 12 -8.544 -3.376 0.985 93 HB2 GLN 12 2HB GLN 12 -7.918 -5.807 1.573 94 HB3 GLN 12 3HB GLN 12 -6.281 -5.191 1.784 95 HG2 GLN 12 2HG GLN 12 -7.199 -5.117 3.935 96 HG3 GLN 12 3HG GLN 12 -7.394 -3.446 3.408 97 HE21 GLN 12 1HE2 GLN 12 -9.729 -2.880 2.487 98 HE22 GLN 12 2HE2 GLN 12 -11.037 -3.816 3.165 99 H VAL 13 H VAL 13 -5.402 -3.598 -0.682 100 HA VAL 13 HA VAL 13 -4.236 -1.522 0.979 101 HB VAL 13 HB VAL 13 -3.090 -3.456 -0.421 102 HG11 VAL 13 1HG1 VAL 13 -3.677 -2.651 -2.693 103 HG12 VAL 13 2HG1 VAL 13 -2.817 -1.130 -2.368 104 HG13 VAL 13 3HG1 VAL 13 -1.937 -2.666 -2.418 105 HG21 VAL 13 3HG2 VAL 13 -1.897 -0.689 -0.037 106 HG22 VAL 13 1HG2 VAL 13 -2.006 -1.972 1.193 107 HG23 VAL 13 2HG2 VAL 13 -0.988 -2.204 -0.237 108 H GLU 14 H GLU 14 -5.720 -1.730 -2.278 109 HA GLU 14 HA GLU 14 -5.490 1.040 -2.804 110 HB2 GLU 14 2HB GLU 14 -6.698 -1.233 -4.078 111 HB3 GLU 14 3HB GLU 14 -7.979 -0.041 -3.896 112 HG2 GLU 14 2HG GLU 14 -5.264 0.424 -5.179 113 HG3 GLU 14 3HG GLU 14 -6.778 0.156 -6.044 114 H TYR 15 H TYR 15 -7.802 -0.815 -0.837 115 HA TYR 15 HA TYR 15 -9.814 1.135 -0.629 116 HB2 TYR 15 2HB TYR 15 -10.516 -0.899 0.135 117 HB3 TYR 15 3HB TYR 15 -8.959 -1.312 0.817 118 HD1 TYR 15 HD1 TYR 15 -8.255 -0.684 3.031 119 HD2 TYR 15 HD2 TYR 15 -12.092 0.529 1.463 120 HE1 TYR 15 HE1 TYR 15 -8.833 0.232 5.203 121 HE2 TYR 15 HE2 TYR 15 -12.705 1.435 3.668 122 HH TYR 15 HH TYR 15 -11.610 2.325 5.625 123 H TYR 16 H TYR 16 -6.763 0.692 1.254 124 HA TYR 16 HA TYR 16 -7.356 2.736 3.146 125 HB2 TYR 16 2HB TYR 16 -4.774 1.491 2.202 126 HB3 TYR 16 3HB TYR 16 -4.789 2.855 3.298 127 HD1 TYR 16 HD1 TYR 16 -6.311 2.686 5.390 128 HD2 TYR 16 HD2 TYR 16 -5.014 -0.708 3.077 129 HE1 TYR 16 HE1 TYR 16 -6.578 1.258 7.360 130 HE2 TYR 16 HE2 TYR 16 -5.329 -2.176 5.062 131 HH TYR 16 HH TYR 16 -5.859 -0.869 8.261 132 H PHE 17 H PHE 17 -6.283 3.069 -0.204 133 HA PHE 17 HA PHE 17 -5.947 5.984 0.210 134 HB2 PHE 17 2HB PHE 17 -5.421 4.213 -2.192 135 HB3 PHE 17 3HB PHE 17 -5.129 5.950 -2.124 136 HD1 PHE 17 2HD PHE 17 -3.320 6.896 -0.690 137 HD2 PHE 17 1HD PHE 17 -3.956 2.644 -0.999 138 HE1 PHE 17 2HE PHE 17 -1.194 6.500 0.484 139 HE2 PHE 17 1HE PHE 17 -1.827 2.241 0.214 140 HZ PHE 17 HZ PHE 17 -0.464 4.175 1.002 141 H SER 18 H SER 18 -8.276 3.692 -0.957 142 HA SER 18 HA SER 18 -9.660 5.586 -2.679 143 HB2 SER 18 2HB SER 18 -9.170 3.299 -3.448 144 HB3 SER 18 3HB SER 18 -10.158 2.655 -2.123 145 HG SER 18 HG SER 18 -11.863 4.110 -3.094 146 H ASP 19 H ASP 19 -9.836 4.562 0.547 147 HA ASP 19 HA ASP 19 -12.699 5.101 0.945 148 HB2 ASP 19 2HB ASP 19 -11.433 3.218 1.911 149 HB3 ASP 19 3HB ASP 19 -10.336 4.341 2.704 150 H SER 20 H SER 20 -10.497 7.128 0.080 151 HA SER 20 HA SER 20 -9.488 9.053 0.619 152 HB2 SER 20 2HB SER 20 -12.075 9.490 0.438 153 HB3 SER 20 3HB SER 20 -11.937 9.883 2.162 154 HG SER 20 HG SER 20 -11.613 11.678 0.729 155 H ASN 21 H ASN 21 -8.983 6.855 2.458 156 HA ASN 21 HA ASN 21 -9.063 8.053 5.118 157 HB2 ASN 21 2HB ASN 21 -9.550 5.577 4.338 158 HB3 ASN 21 3HB ASN 21 -7.812 5.372 4.606 159 HD21 ASN 21 1HD2 ASN 21 -10.546 4.616 6.041 160 HD22 ASN 21 2HD2 ASN 21 -10.151 4.967 7.717 161 H PHE 22 H PHE 22 -6.582 7.297 2.637 162 HA PHE 22 HA PHE 22 -4.354 7.486 4.228 163 HB2 PHE 22 2HB PHE 22 -3.365 7.102 2.315 164 HB3 PHE 22 3HB PHE 22 -4.856 7.436 1.454 165 HD1 PHE 22 1HD PHE 22 -1.813 9.125 2.876 166 HD2 PHE 22 2HD PHE 22 -4.964 9.236 -0.062 167 HE1 PHE 22 1HE PHE 22 -0.853 11.198 1.915 168 HE2 PHE 22 2HE PHE 22 -4.020 11.307 -0.996 169 HZ PHE 22 HZ PHE 22 -1.948 12.308 -0.009 170 HA PRO 23 HA PRO 23 -3.919 12.092 3.843 171 HB2 PRO 23 2HB PRO 23 -6.021 13.808 3.436 172 HB3 PRO 23 3HB PRO 23 -5.140 13.012 2.089 173 HG2 PRO 23 2HG PRO 23 -7.738 12.138 3.392 174 HG3 PRO 23 3HG PRO 23 -7.381 12.305 1.643 175 HD2 PRO 23 2HD PRO 23 -7.236 9.936 2.963 176 HD3 PRO 23 3HD PRO 23 -6.135 10.316 1.622 177 H ARG 24 H ARG 24 -6.471 10.472 5.467 178 HA ARG 24 HA ARG 24 -6.854 12.498 7.572 179 HB2 ARG 24 2HB ARG 24 -8.693 11.232 6.249 180 HB3 ARG 24 3HB ARG 24 -8.213 9.787 7.141 181 HG2 ARG 24 2HG ARG 24 -8.834 10.866 9.262 182 HG3 ARG 24 3HG ARG 24 -9.180 12.388 8.399 183 HD2 ARG 24 2HD ARG 24 -10.894 11.226 7.033 184 HD3 ARG 24 3HD ARG 24 -10.592 9.722 7.891 185 HE ARG 24 HE ARG 24 -12.050 12.093 8.796 186 HH11 ARG 24 2HH2 ARG 24 -10.582 9.034 9.784 187 HH12 ARG 24 1HH2 ARG 24 -11.526 8.851 11.217 188 HH21 ARG 24 2HH1 ARG 24 -13.326 11.886 10.718 189 HH22 ARG 24 1HH1 ARG 24 -13.120 10.530 11.762 190 H ASP 25 H ASP 25 -5.687 9.143 7.118 191 HA ASP 25 HA ASP 25 -5.014 8.913 9.951 192 HB2 ASP 25 2HB ASP 25 -5.825 6.964 8.735 193 HB3 ASP 25 3HB ASP 25 -4.498 7.118 7.580 194 H LYS 26 H LYS 26 -3.426 10.052 10.586 195 HA LYS 26 HA LYS 26 -1.297 11.214 9.159 196 HB2 LYS 26 2HB LYS 26 -1.325 10.428 12.105 197 HB3 LYS 26 3HB LYS 26 -0.123 11.450 11.326 198 HG2 LYS 26 2HG LYS 26 -1.474 13.018 12.286 199 HG3 LYS 26 3HG LYS 26 -2.100 12.992 10.635 200 HD2 LYS 26 2HD LYS 26 -4.059 11.751 11.337 201 HD3 LYS 26 3HD LYS 26 -3.318 11.366 12.913 202 HE2 LYS 26 2HE LYS 26 -3.287 13.815 13.435 203 HE3 LYS 26 3HE LYS 26 -4.128 14.127 11.907 204 HZ1 LYS 26 3HZ LYS 26 -5.949 12.769 12.712 205 HZ2 LYS 26 1HZ LYS 26 -5.165 12.488 14.134 206 HZ3 LYS 26 2HZ LYS 26 -5.657 14.010 13.756 207 H PHE 27 H PHE 27 -1.555 7.899 10.281 208 HA PHE 27 HA PHE 27 1.201 7.137 10.218 209 HB2 PHE 27 2HB PHE 27 -0.740 5.843 11.118 210 HB3 PHE 27 3HB PHE 27 -1.325 5.616 9.477 211 HD1 PHE 27 1HD PHE 27 1.944 5.202 11.287 212 HD2 PHE 27 2HD PHE 27 -0.928 3.515 8.548 213 HE1 PHE 27 1HE PHE 27 3.345 3.208 11.062 214 HE2 PHE 27 2HE PHE 27 0.480 1.480 8.335 215 HZ PHE 27 HZ PHE 27 2.609 1.300 9.603 216 H LEU 28 H LEU 28 -1.366 7.048 7.696 217 HA LEU 28 HA LEU 28 0.454 6.144 5.615 218 HB2 LEU 28 2HB LEU 28 -2.272 7.488 5.569 219 HB3 LEU 28 3HB LEU 28 -1.394 7.081 4.089 220 HG LEU 28 HG LEU 28 -1.600 4.877 6.085 221 HD11 LEU 28 1HD1 LEU 28 -3.955 6.156 5.793 222 HD12 LEU 28 2HD1 LEU 28 -4.028 5.152 4.337 223 HD13 LEU 28 3HD1 LEU 28 -3.845 4.449 5.973 224 HD21 LEU 28 3HD2 LEU 28 -0.489 4.915 3.746 225 HD22 LEU 28 1HD2 LEU 28 -1.547 3.559 4.075 226 HD23 LEU 28 2HD2 LEU 28 -2.142 4.900 3.087 227 H ARG 29 H ARG 29 -1.077 9.261 6.334 228 HA ARG 29 HA ARG 29 0.113 10.746 4.347 229 HB2 ARG 29 2HB ARG 29 -1.804 11.382 5.820 230 HB3 ARG 29 3HB ARG 29 -0.645 11.820 7.086 231 HG2 ARG 29 2HG ARG 29 0.287 13.588 5.731 232 HG3 ARG 29 3HG ARG 29 -0.541 12.988 4.274 233 HD2 ARG 29 2HD ARG 29 -2.720 13.459 5.286 234 HD3 ARG 29 3HD ARG 29 -1.937 14.087 6.750 235 HE ARG 29 HE ARG 29 -0.818 15.562 4.735 236 HH11 ARG 29 2HH2 ARG 29 -4.161 14.904 5.699 237 HH12 ARG 29 1HH2 ARG 29 -4.798 16.400 5.129 238 HH21 ARG 29 2HH1 ARG 29 -1.651 17.587 3.946 239 HH22 ARG 29 1HH1 ARG 29 -3.328 17.961 4.106 240 H SER 30 H SER 30 1.581 9.865 7.471 241 HA SER 30 HA SER 30 3.712 11.793 7.316 242 HB2 SER 30 2HB SER 30 3.026 10.629 9.417 243 HB3 SER 30 3HB SER 30 3.548 9.079 8.732 244 HG SER 30 HG SER 30 5.164 11.351 9.310 245 H GLU 31 H GLU 31 3.283 8.492 5.981 246 HA GLU 31 HA GLU 31 6.066 8.506 5.036 247 HB2 GLU 31 2HB GLU 31 4.843 6.443 5.791 248 HB3 GLU 31 3HB GLU 31 3.834 6.593 4.343 249 HG2 GLU 31 2HG GLU 31 5.553 5.074 3.801 250 HG3 GLU 31 3HG GLU 31 5.986 6.589 2.984 251 H ALA 32 H ALA 32 2.803 8.897 3.664 252 HA ALA 32 HA ALA 32 3.443 9.170 0.969 253 HB1 ALA 32 1HB ALA 32 1.294 10.381 0.869 254 HB2 ALA 32 2HB ALA 32 1.165 9.011 1.978 255 HB3 ALA 32 3HB ALA 32 1.360 10.668 2.609 256 H ALA 33 H ALA 33 3.643 11.520 3.605 257 HA ALA 33 HA ALA 33 3.972 13.900 2.211 258 HB1 ALA 33 1HB ALA 33 5.042 14.695 4.345 259 HB2 ALA 33 2HB ALA 33 3.495 13.871 4.574 260 HB3 ALA 33 3HB ALA 33 5.010 13.016 4.935 261 H LYS 34 H LYS 34 6.300 11.284 2.087 262 HA LYS 34 HA LYS 34 8.574 13.076 1.903 263 HB2 LYS 34 2HB LYS 34 8.032 10.102 1.479 264 HB3 LYS 34 3HB LYS 34 9.511 10.856 0.941 265 HG2 LYS 34 2HG LYS 34 10.111 10.092 3.055 266 HG3 LYS 34 3HG LYS 34 9.758 11.797 3.349 267 HD2 LYS 34 2HD LYS 34 7.420 11.063 4.104 268 HD3 LYS 34 3HD LYS 34 7.983 9.389 3.893 269 HE2 LYS 34 2HE LYS 34 9.973 10.307 5.451 270 HE3 LYS 34 3HE LYS 34 8.702 11.449 5.944 271 HZ1 LYS 34 3HZ LYS 34 8.460 8.498 5.997 272 HZ2 LYS 34 1HZ LYS 34 8.710 9.441 7.319 273 HZ3 LYS 34 2HZ LYS 34 7.305 9.551 6.461 274 H ASN 35 H ASN 35 6.119 11.764 -0.302 275 HA ASN 35 HA ASN 35 6.905 13.787 -2.212 276 HB2 ASN 35 2HB ASN 35 7.308 10.881 -2.917 277 HB3 ASN 35 3HB ASN 35 6.856 12.061 -4.154 278 HD21 ASN 35 1HD2 ASN 35 9.606 10.585 -2.931 279 HD22 ASN 35 2HD2 ASN 35 10.701 11.905 -3.309 280 H VAL 36 H VAL 36 4.808 14.189 -1.025 281 HA VAL 36 HA VAL 36 2.612 14.558 -1.126 282 HB VAL 36 HB VAL 36 3.087 13.748 -3.997 283 HG11 VAL 36 1HG1 VAL 36 0.546 14.894 -2.782 284 HG12 VAL 36 2HG1 VAL 36 0.916 14.831 -4.522 285 HG13 VAL 36 3HG1 VAL 36 0.717 13.330 -3.614 286 HG21 VAL 36 3HG2 VAL 36 2.621 16.429 -2.638 287 HG22 VAL 36 1HG2 VAL 36 4.191 15.806 -3.197 288 HG23 VAL 36 2HG2 VAL 36 2.917 16.167 -4.370 289 H ASP 37 H ASP 37 2.703 11.662 -3.147 290 HA ASP 37 HA ASP 37 2.150 9.869 -1.070 291 HB2 ASP 37 2HB ASP 37 -0.190 10.938 -1.313 292 HB3 ASP 37 3HB ASP 37 -0.289 10.132 -2.873 293 H ASN 38 H ASN 38 4.016 10.123 -2.995 294 HA ASN 38 HA ASN 38 3.462 7.993 -5.000 295 HB2 ASN 38 2HB ASN 38 5.543 10.202 -4.995 296 HB3 ASN 38 3HB ASN 38 5.445 8.900 -6.183 297 HD21 ASN 38 1HD2 ASN 38 4.060 11.959 -5.174 298 HD22 ASN 38 2HD2 ASN 38 2.932 12.055 -6.533 299 H TYR 39 H TYR 39 4.844 8.415 -1.955 300 HA TYR 39 HA TYR 39 6.862 6.314 -2.373 301 HB2 TYR 39 2HB TYR 39 7.270 9.095 -1.235 302 HB3 TYR 39 3HB TYR 39 8.168 7.740 -0.588 303 HD1 TYR 39 HD1 TYR 39 7.375 8.898 -4.137 304 HD2 TYR 39 HD2 TYR 39 10.371 7.707 -1.277 305 HE1 TYR 39 HE1 TYR 39 9.099 9.119 -5.869 306 HE2 TYR 39 HE2 TYR 39 12.105 7.930 -3.008 307 HH TYR 39 HH TYR 39 12.550 8.426 -5.268 308 H ILE 40 H ILE 40 6.016 4.709 -1.122 309 HA ILE 40 HA ILE 40 5.097 5.341 1.622 310 HB ILE 40 HB ILE 40 3.637 3.560 -0.364 311 HG12 ILE 40 2HG1 ILE 40 2.275 5.935 0.877 312 HG13 ILE 40 3HG1 ILE 40 3.282 6.209 -0.543 313 HG21 ILE 40 1HG2 ILE 40 2.974 4.337 2.516 314 HG22 ILE 40 2HG2 ILE 40 1.958 3.330 1.464 315 HG23 ILE 40 3HG2 ILE 40 3.542 2.745 1.977 316 HD11 ILE 40 3HD1 ILE 40 1.175 4.032 -0.561 317 HD12 ILE 40 1HD1 ILE 40 0.836 5.713 -1.024 318 HD13 ILE 40 2HD1 ILE 40 2.032 4.769 -1.921 319 H SER 41 H SER 41 6.963 4.174 2.665 320 HA SER 41 HA SER 41 8.110 1.963 1.526 321 HB2 SER 41 2HB SER 41 9.124 3.206 3.354 322 HB3 SER 41 3HB SER 41 7.913 2.520 4.480 323 HG SER 41 HG SER 41 9.887 1.275 4.348 324 H ILE 42 H ILE 42 7.895 -0.152 1.542 325 HA ILE 42 HA ILE 42 5.382 -1.395 2.172 326 HB ILE 42 HB ILE 42 6.438 -3.493 1.676 327 HG12 ILE 42 2HG1 ILE 42 8.869 -3.493 0.888 328 HG13 ILE 42 3HG1 ILE 42 9.074 -1.991 1.792 329 HG21 ILE 42 1HG2 ILE 42 7.550 -1.383 -0.218 330 HG22 ILE 42 2HG2 ILE 42 7.035 -3.034 -0.603 331 HG23 ILE 42 3HG2 ILE 42 5.842 -1.814 -0.114 332 HD11 ILE 42 3HD1 ILE 42 8.700 -3.174 3.889 333 HD12 ILE 42 1HD1 ILE 42 8.114 -4.610 3.033 334 HD13 ILE 42 2HD1 ILE 42 9.823 -4.138 2.939 335 H ASP 43 H ASP 43 7.909 -0.284 4.187 336 HA ASP 43 HA ASP 43 7.544 -2.232 6.287 337 HB2 ASP 43 2HB ASP 43 8.614 0.615 6.421 338 HB3 ASP 43 3HB ASP 43 8.850 -0.654 7.628 339 H VAL 44 H VAL 44 5.948 0.863 5.353 340 HA VAL 44 HA VAL 44 4.248 0.987 7.686 341 HB VAL 44 HB VAL 44 4.734 2.492 5.166 342 HG11 VAL 44 1HG1 VAL 44 2.559 3.658 5.189 343 HG12 VAL 44 2HG1 VAL 44 2.464 1.996 4.611 344 HG13 VAL 44 3HG1 VAL 44 1.909 2.399 6.262 345 HG21 VAL 44 3HG2 VAL 44 3.713 3.333 7.896 346 HG22 VAL 44 1HG2 VAL 44 5.426 3.235 7.417 347 HG23 VAL 44 2HG2 VAL 44 4.336 4.388 6.623 348 H ILE 45 H ILE 45 3.973 -0.145 4.309 349 HA ILE 45 HA ILE 45 1.207 -0.857 4.535 350 HB ILE 45 HB ILE 45 3.249 -2.078 2.680 351 HG12 ILE 45 2HG1 ILE 45 1.620 0.460 2.113 352 HG13 ILE 45 3HG1 ILE 45 3.302 0.490 2.610 353 HG21 ILE 45 1HG2 ILE 45 0.962 -3.099 2.687 354 HG22 ILE 45 2HG2 ILE 45 0.258 -1.522 2.289 355 HG23 ILE 45 3HG2 ILE 45 1.320 -2.362 1.135 356 HD11 ILE 45 3HD1 ILE 45 3.312 0.718 0.247 357 HD12 ILE 45 1HD1 ILE 45 3.900 -0.910 0.607 358 HD13 ILE 45 2HD1 ILE 45 2.237 -0.668 0.029 359 H ALA 46 H ALA 46 4.174 -2.755 5.037 360 HA ALA 46 HA ALA 46 2.778 -5.213 5.589 361 HB1 ALA 46 1HB ALA 46 5.505 -4.207 6.563 362 HB2 ALA 46 2HB ALA 46 4.908 -5.876 6.717 363 HB3 ALA 46 3HB ALA 46 5.209 -5.186 5.109 364 H SER 47 H SER 47 3.855 -2.409 7.510 365 HA SER 47 HA SER 47 2.922 -3.588 10.009 366 HB2 SER 47 2HB SER 47 4.883 -2.057 9.825 367 HB3 SER 47 3HB SER 47 3.769 -0.726 9.443 368 HG SER 47 HG SER 47 2.738 -1.253 11.489 369 H PHE 48 H PHE 48 1.026 -2.552 7.503 370 HA PHE 48 HA PHE 48 -0.699 -0.726 8.755 371 HB2 PHE 48 2HB PHE 48 -0.580 -2.123 6.299 372 HB3 PHE 48 3HB PHE 48 -2.145 -2.540 6.951 373 HD1 PHE 48 2HD PHE 48 -2.710 0.181 8.347 374 HD2 PHE 48 1HD PHE 48 -1.210 -0.940 4.450 375 HE1 PHE 48 2HE PHE 48 -3.598 2.287 7.390 376 HE2 PHE 48 1HE PHE 48 -2.147 1.145 3.495 377 HZ PHE 48 HZ PHE 48 -3.356 2.713 4.952 378 H ASN 49 H ASN 49 -0.195 -3.873 9.782 379 HA ASN 49 HA ASN 49 -1.191 -5.213 11.286 380 HB2 ASN 49 2HB ASN 49 -2.015 -3.033 12.324 381 HB3 ASN 49 3HB ASN 49 -3.573 -3.345 11.541 382 HD21 ASN 49 1HD2 ASN 49 -2.961 -3.280 14.455 383 HD22 ASN 49 2HD2 ASN 49 -3.379 -4.890 15.017 384 H ARG 50 H ARG 50 -3.980 -3.858 9.469 385 HA ARG 50 HA ARG 50 -5.256 -6.323 9.012 386 HB2 ARG 50 2HB ARG 50 -6.016 -3.831 8.670 387 HB3 ARG 50 3HB ARG 50 -5.377 -4.019 7.028 388 HG2 ARG 50 2HG ARG 50 -6.920 -5.995 6.725 389 HG3 ARG 50 3HG ARG 50 -7.513 -5.726 8.377 390 HD2 ARG 50 2HD ARG 50 -7.849 -3.213 7.398 391 HD3 ARG 50 3HD ARG 50 -7.945 -4.092 5.890 392 HE ARG 50 HE ARG 50 -9.952 -5.010 6.494 393 HH11 ARG 50 2HH2 ARG 50 -8.473 -3.368 9.257 394 HH12 ARG 50 1HH2 ARG 50 -9.861 -3.416 10.280 395 HH21 ARG 50 2HH1 ARG 50 -11.873 -5.106 7.884 396 HH22 ARG 50 1HH1 ARG 50 -11.839 -4.431 9.475 397 H MET 51 H MET 51 -2.749 -4.717 7.077 398 HA MET 51 HA MET 51 -2.693 -6.668 4.951 399 HB2 MET 51 2HB MET 51 -0.837 -4.518 5.947 400 HB3 MET 51 3HB MET 51 -0.182 -5.777 4.888 401 HG2 MET 51 2HG MET 51 -0.853 -4.008 3.465 402 HG3 MET 51 3HG MET 51 -1.981 -5.339 3.244 403 HE1 MET 51 3HE MET 51 -3.634 -3.946 1.988 404 HE2 MET 51 1HE MET 51 -4.479 -4.979 3.165 405 HE3 MET 51 2HE MET 51 -4.998 -3.293 2.925 406 H LYS 52 H LYS 52 -0.865 -6.337 8.076 407 HA LYS 52 HA LYS 52 0.813 -8.562 7.601 408 HB2 LYS 52 2HB LYS 52 1.151 -6.924 9.416 409 HB3 LYS 52 3HB LYS 52 -0.246 -7.561 10.290 410 HG2 LYS 52 2HG LYS 52 1.948 -9.448 9.427 411 HG3 LYS 52 3HG LYS 52 2.244 -8.387 10.803 412 HD2 LYS 52 2HD LYS 52 0.632 -9.391 12.150 413 HD3 LYS 52 3HD LYS 52 -0.298 -10.024 10.792 414 HE2 LYS 52 2HE LYS 52 1.659 -11.514 10.211 415 HE3 LYS 52 3HE LYS 52 2.427 -11.001 11.725 416 HZ1 LYS 52 3HZ LYS 52 0.493 -11.893 12.893 417 HZ2 LYS 52 1HZ LYS 52 -0.166 -12.388 11.463 418 HZ3 LYS 52 2HZ LYS 52 1.235 -13.058 11.994 419 H THR 53 H THR 53 -2.557 -8.415 8.840 420 HA THR 53 HA THR 53 -2.608 -11.241 9.383 421 HB THR 53 HB THR 53 -5.121 -10.716 9.580 422 HG1 THR 53 1HG THR 53 -5.083 -8.766 8.280 423 HG21 THR 53 1HG2 THR 53 -3.055 -9.051 11.090 424 HG22 THR 53 2HG2 THR 53 -4.683 -9.459 11.676 425 HG23 THR 53 3HG2 THR 53 -3.472 -10.744 11.447 426 H ILE 54 H ILE 54 -3.916 -9.247 6.636 427 HA ILE 54 HA ILE 54 -5.171 -11.581 5.479 428 HB ILE 54 HB ILE 54 -4.480 -8.849 4.348 429 HG12 ILE 54 2HG1 ILE 54 -6.180 -8.978 6.237 430 HG13 ILE 54 3HG1 ILE 54 -6.639 -8.131 4.759 431 HG21 ILE 54 1HG2 ILE 54 -4.652 -10.321 2.441 432 HG22 ILE 54 2HG2 ILE 54 -6.131 -11.050 3.067 433 HG23 ILE 54 3HG2 ILE 54 -6.128 -9.351 2.531 434 HD11 ILE 54 3HD1 ILE 54 -7.355 -11.018 5.343 435 HD12 ILE 54 1HD1 ILE 54 -8.414 -9.625 5.682 436 HD13 ILE 54 2HD1 ILE 54 -7.956 -9.998 4.011 437 H SER 55 H SER 55 -2.021 -10.141 5.267 438 HA SER 55 HA SER 55 -1.223 -11.741 2.925 439 HB2 SER 55 2HB SER 55 -0.392 -9.293 3.733 440 HB3 SER 55 3HB SER 55 0.766 -10.248 4.646 441 HG SER 55 HG SER 55 1.608 -10.972 2.794 442 H THR 56 H THR 56 -0.733 -11.644 6.417 443 HA THR 56 HA THR 56 0.240 -13.012 7.882 444 HB THR 56 HB THR 56 -0.388 -15.012 5.715 445 HG1 THR 56 1HG THR 56 -2.025 -13.871 6.965 446 HG21 THR 56 1HG2 THR 56 0.648 -15.539 8.541 447 HG22 THR 56 2HG2 THR 56 -0.117 -16.750 7.489 448 HG23 THR 56 3HG2 THR 56 1.435 -16.033 7.021 449 H ASP 57 H ASP 57 1.961 -12.888 4.687 450 HA ASP 57 HA ASP 57 4.482 -12.905 6.140 451 HB2 ASP 57 2HB ASP 57 3.932 -15.220 5.252 452 HB3 ASP 57 3HB ASP 57 3.875 -14.523 3.628 453 H LEU 58 H LEU 58 5.996 -11.736 4.928 454 HA LEU 58 HA LEU 58 4.899 -9.358 3.636 455 HB2 LEU 58 2HB LEU 58 7.787 -10.214 4.128 456 HB3 LEU 58 3HB LEU 58 7.306 -8.717 3.339 457 HG LEU 58 HG LEU 58 5.790 -8.508 5.593 458 HD11 LEU 58 1HD1 LEU 58 6.751 -10.577 6.605 459 HD12 LEU 58 2HD1 LEU 58 8.379 -9.883 6.453 460 HD13 LEU 58 3HD1 LEU 58 7.186 -9.132 7.530 461 HD21 LEU 58 3HD2 LEU 58 8.701 -7.667 5.269 462 HD22 LEU 58 1HD2 LEU 58 7.277 -6.784 4.673 463 HD23 LEU 58 2HD2 LEU 58 7.536 -6.964 6.415 464 H GLN 59 H GLN 59 6.087 -12.358 2.512 465 HA GLN 59 HA GLN 59 7.101 -11.738 -0.066 466 HB2 GLN 59 2HB GLN 59 7.365 -13.909 1.098 467 HB3 GLN 59 3HB GLN 59 5.623 -14.175 1.031 468 HG2 GLN 59 2HG GLN 59 5.791 -14.120 -1.513 469 HG3 GLN 59 3HG GLN 59 7.550 -14.063 -1.332 470 HE21 GLN 59 1HE2 GLN 59 8.387 -15.923 0.318 471 HE22 GLN 59 2HE2 GLN 59 7.638 -17.480 0.005 472 H LEU 60 H LEU 60 3.803 -12.681 1.101 473 HA LEU 60 HA LEU 60 2.551 -12.369 -1.457 474 HB2 LEU 60 2HB LEU 60 1.684 -12.659 1.462 475 HB3 LEU 60 3HB LEU 60 0.531 -12.305 0.200 476 HG LEU 60 HG LEU 60 1.229 -14.381 -1.010 477 HD11 LEU 60 1HD1 LEU 60 2.438 -16.137 0.304 478 HD12 LEU 60 2HD1 LEU 60 3.465 -14.788 -0.157 479 HD13 LEU 60 3HD1 LEU 60 2.846 -14.906 1.511 480 HD21 LEU 60 3HD2 LEU 60 -0.744 -14.343 0.424 481 HD22 LEU 60 1HD2 LEU 60 0.070 -15.922 0.570 482 HD23 LEU 60 2HD2 LEU 60 0.251 -14.712 1.842 483 H ILE 61 H ILE 61 3.320 -10.152 1.207 484 HA ILE 61 HA ILE 61 1.486 -8.135 0.240 485 HB ILE 61 HB ILE 61 2.992 -8.475 2.556 486 HG12 ILE 61 2HG1 ILE 61 0.772 -7.500 2.347 487 HG13 ILE 61 3HG1 ILE 61 1.827 -6.513 3.349 488 HG21 ILE 61 1HG2 ILE 61 4.211 -6.374 2.926 489 HG22 ILE 61 2HG2 ILE 61 5.006 -7.360 1.705 490 HG23 ILE 61 3HG2 ILE 61 4.059 -5.955 1.210 491 HD11 ILE 61 3HD1 ILE 61 0.392 -5.186 1.789 492 HD12 ILE 61 1HD1 ILE 61 2.123 -4.885 1.549 493 HD13 ILE 61 2HD1 ILE 61 1.222 -5.912 0.412 494 H THR 62 H THR 62 4.866 -9.014 -0.369 495 HA THR 62 HA THR 62 5.455 -6.570 -1.833 496 HB THR 62 HB THR 62 6.861 -9.275 -1.717 497 HG1 THR 62 1HG THR 62 7.387 -6.768 -0.485 498 HG21 THR 62 1HG2 THR 62 7.790 -6.618 -2.903 499 HG22 THR 62 2HG2 THR 62 8.844 -8.015 -2.581 500 HG23 THR 62 3HG2 THR 62 7.547 -8.146 -3.778 501 H GLU 63 H GLU 63 4.419 -9.889 -2.680 502 HA GLU 63 HA GLU 63 4.515 -9.345 -5.509 503 HB2 GLU 63 2HB GLU 63 4.704 -11.606 -4.522 504 HB3 GLU 63 3HB GLU 63 3.024 -11.526 -4.001 505 HG2 GLU 63 2HG GLU 63 2.307 -11.240 -6.376 506 HG3 GLU 63 3HG GLU 63 3.995 -11.219 -6.885 507 H ALA 64 H ALA 64 1.994 -8.993 -3.017 508 HA ALA 64 HA ALA 64 -0.231 -8.443 -4.788 509 HB1 ALA 64 1HB ALA 64 -1.145 -7.130 -2.958 510 HB2 ALA 64 2HB ALA 64 -0.530 -8.720 -2.407 511 HB3 ALA 64 3HB ALA 64 0.396 -7.234 -2.071 512 H LEU 65 H LEU 65 2.348 -6.297 -3.352 513 HA LEU 65 HA LEU 65 1.364 -3.917 -4.535 514 HB2 LEU 65 2HB LEU 65 4.104 -4.699 -3.519 515 HB3 LEU 65 3HB LEU 65 3.696 -3.077 -4.070 516 HG LEU 65 HG LEU 65 2.139 -4.481 -1.866 517 HD11 LEU 65 1HD1 LEU 65 4.505 -4.250 -1.200 518 HD12 LEU 65 2HD1 LEU 65 4.471 -2.532 -1.671 519 HD13 LEU 65 3HD1 LEU 65 3.490 -3.114 -0.297 520 HD21 LEU 65 3HD2 LEU 65 2.424 -1.498 -2.208 521 HD22 LEU 65 1HD2 LEU 65 1.160 -2.377 -3.099 522 HD23 LEU 65 2HD2 LEU 65 1.200 -2.414 -1.334 523 H LYS 66 H LYS 66 3.706 -6.355 -5.582 524 HA LYS 66 HA LYS 66 4.514 -5.118 -8.038 525 HB2 LYS 66 2HB LYS 66 5.169 -7.453 -6.610 526 HB3 LYS 66 3HB LYS 66 4.510 -8.049 -8.133 527 HG2 LYS 66 2HG LYS 66 6.122 -6.682 -9.384 528 HG3 LYS 66 3HG LYS 66 6.671 -5.903 -7.883 529 HD2 LYS 66 2HD LYS 66 7.409 -8.117 -7.012 530 HD3 LYS 66 3HD LYS 66 6.984 -8.862 -8.559 531 HE2 LYS 66 2HE LYS 66 9.009 -6.607 -8.144 532 HE3 LYS 66 3HE LYS 66 9.420 -8.317 -8.330 533 HZ1 LYS 66 3HZ LYS 66 8.078 -6.653 -10.365 534 HZ2 LYS 66 1HZ LYS 66 9.649 -7.132 -10.394 535 HZ3 LYS 66 2HZ LYS 66 8.450 -8.249 -10.535 536 H LYS 67 H LYS 67 1.632 -6.934 -7.214 537 HA LYS 67 HA LYS 67 0.765 -6.751 -10.071 538 HB2 LYS 67 2HB LYS 67 -0.259 -8.454 -7.756 539 HB3 LYS 67 3HB LYS 67 -0.921 -8.452 -9.401 540 HG2 LYS 67 2HG LYS 67 1.274 -9.185 -10.295 541 HG3 LYS 67 3HG LYS 67 1.915 -9.267 -8.642 542 HD2 LYS 67 2HD LYS 67 0.160 -10.909 -8.038 543 HD3 LYS 67 3HD LYS 67 -0.455 -10.862 -9.709 544 HE2 LYS 67 2HE LYS 67 1.711 -11.655 -10.560 545 HE3 LYS 67 3HE LYS 67 2.401 -11.579 -8.928 546 HZ1 LYS 67 3HZ LYS 67 0.923 -13.258 -8.218 547 HZ2 LYS 67 1HZ LYS 67 0.256 -13.439 -9.743 548 HZ3 LYS 67 2HZ LYS 67 1.854 -13.776 -9.360 549 H SER 68 H SER 68 0.717 -4.395 -8.099 550 HA SER 68 HA SER 68 -1.872 -4.209 -7.006 551 HB2 SER 68 2HB SER 68 0.305 -2.237 -7.663 552 HB3 SER 68 3HB SER 68 -1.283 -1.674 -7.078 553 HG SER 68 HG SER 68 0.025 -3.829 -5.857 554 H THR 69 H THR 69 -3.584 -2.868 -7.456 555 HA THR 69 HA THR 69 -4.462 -2.960 -10.241 556 HB THR 69 HB THR 69 -6.184 -3.623 -8.870 557 HG1 THR 69 1HG THR 69 -7.706 -2.046 -9.063 558 HG21 THR 69 1HG2 THR 69 -6.907 -2.426 -6.757 559 HG22 THR 69 2HG2 THR 69 -5.371 -3.259 -6.621 560 HG23 THR 69 3HG2 THR 69 -5.393 -1.504 -6.827 561 H ARG 70 H ARG 70 -5.464 -0.189 -8.374 562 HA ARG 70 HA ARG 70 -4.439 1.484 -10.473 563 HB2 ARG 70 2HB ARG 70 -6.296 1.711 -8.136 564 HB3 ARG 70 3HB ARG 70 -5.585 3.228 -8.678 565 HG2 ARG 70 2HG ARG 70 -6.882 1.284 -10.617 566 HG3 ARG 70 3HG ARG 70 -7.785 2.553 -9.767 567 HD2 ARG 70 2HD ARG 70 -6.380 4.294 -10.680 568 HD3 ARG 70 3HD ARG 70 -5.314 3.115 -11.459 569 HE ARG 70 HE ARG 70 -7.817 2.538 -12.450 570 HH11 ARG 70 2HH2 ARG 70 -5.756 5.391 -12.351 571 HH12 ARG 70 1HH2 ARG 70 -6.278 6.052 -13.861 572 HH21 ARG 70 2HH1 ARG 70 -8.533 3.368 -14.509 573 HH22 ARG 70 1HH1 ARG 70 -7.906 4.854 -15.124 574 H LEU 71 H LEU 71 -2.545 0.356 -8.051 575 HA LEU 71 HA LEU 71 -1.087 2.921 -7.852 576 HB2 LEU 71 2HB LEU 71 -0.552 0.798 -5.818 577 HB3 LEU 71 3HB LEU 71 -0.534 2.535 -5.688 578 HG LEU 71 HG LEU 71 -2.980 0.750 -5.637 579 HD11 LEU 71 1HD1 LEU 71 -3.155 1.494 -3.310 580 HD12 LEU 71 2HD1 LEU 71 -1.589 0.711 -3.604 581 HD13 LEU 71 3HD1 LEU 71 -1.690 2.483 -3.491 582 HD21 LEU 71 3HD2 LEU 71 -3.582 3.427 -4.765 583 HD22 LEU 71 1HD2 LEU 71 -2.838 3.531 -6.375 584 HD23 LEU 71 2HD2 LEU 71 -4.253 2.536 -6.132 585 H GLN 72 H GLN 72 1.298 2.557 -7.929 586 HA GLN 72 HA GLN 72 1.986 -0.057 -9.177 587 HB2 GLN 72 2HB GLN 72 1.501 2.144 -10.735 588 HB3 GLN 72 3HB GLN 72 3.225 2.358 -10.417 589 HG2 GLN 72 2HG GLN 72 1.851 -0.089 -11.618 590 HG3 GLN 72 3HG GLN 72 2.885 1.062 -12.475 591 HE21 GLN 72 1HE2 GLN 72 5.253 1.107 -11.886 592 HE22 GLN 72 2HE2 GLN 72 5.910 -0.243 -10.971 593 H VAL 73 H VAL 73 3.887 -0.840 -8.547 594 HA VAL 73 HA VAL 73 5.281 0.529 -6.377 595 HB VAL 73 HB VAL 73 4.360 -1.763 -6.116 596 HG11 VAL 73 1HG1 VAL 73 4.705 -2.747 -8.302 597 HG12 VAL 73 2HG1 VAL 73 6.472 -2.568 -8.155 598 HG13 VAL 73 3HG1 VAL 73 5.614 -3.666 -7.078 599 HG21 VAL 73 3HG2 VAL 73 6.204 -2.795 -4.983 600 HG22 VAL 73 1HG2 VAL 73 7.379 -1.851 -5.902 601 HG23 VAL 73 2HG2 VAL 73 6.342 -1.060 -4.715 602 H SER 74 H SER 74 7.385 0.984 -6.329 603 HA SER 74 HA SER 74 8.877 1.452 -8.749 604 HB2 SER 74 2HB SER 74 9.220 2.782 -6.697 605 HB3 SER 74 3HB SER 74 9.735 1.321 -5.825 606 HG SER 74 HG SER 74 11.468 2.651 -6.710 607 H GLU 75 H GLU 75 10.866 0.370 -9.320 608 HA GLU 75 HA GLU 75 10.724 -2.504 -9.263 609 HB2 GLU 75 2HB GLU 75 12.974 -0.573 -9.964 610 HB3 GLU 75 3HB GLU 75 12.995 -2.320 -10.286 611 HG2 GLU 75 2HG GLU 75 11.001 -2.120 -11.714 612 HG3 GLU 75 3HG GLU 75 10.880 -0.392 -11.370 613 H ASP 76 H ASP 76 11.832 -0.117 -6.980 614 HA ASP 76 HA ASP 76 13.828 -1.751 -5.661 615 HB2 ASP 76 2HB ASP 76 13.655 0.792 -5.764 616 HB3 ASP 76 3HB ASP 76 12.272 0.675 -4.673 617 H GLY 77 H GLY 77 10.311 -1.519 -5.591 618 HA2 GLY 77 2HA GLY 77 8.726 -2.445 -4.147 619 HA3 GLY 77 3HA GLY 77 9.969 -3.636 -3.731 620 H LYS 78 H LYS 78 10.646 -0.260 -3.164 621 HA LYS 78 HA LYS 78 9.803 -0.464 -0.291 622 HB2 LYS 78 2HB LYS 78 12.031 1.146 -1.565 623 HB3 LYS 78 3HB LYS 78 11.579 1.249 0.124 624 HG2 LYS 78 2HG LYS 78 12.321 -1.487 -0.908 625 HG3 LYS 78 3HG LYS 78 13.596 -0.289 -0.782 626 HD2 LYS 78 2HD LYS 78 13.579 -1.586 1.222 627 HD3 LYS 78 3HD LYS 78 13.114 0.078 1.596 628 HE2 LYS 78 2HE LYS 78 10.719 -0.633 1.636 629 HE3 LYS 78 3HE LYS 78 11.227 -2.295 1.287 630 HZ1 LYS 78 3HZ LYS 78 10.863 -2.047 3.661 631 HZ2 LYS 78 1HZ LYS 78 12.472 -2.200 3.436 632 HZ3 LYS 78 2HZ LYS 78 11.772 -0.744 3.770 633 H MET 79 H MET 79 8.804 0.886 -3.274 634 HA MET 79 HA MET 79 7.069 2.533 -1.603 635 HB2 MET 79 2HB MET 79 8.758 3.717 -3.883 636 HB3 MET 79 3HB MET 79 7.300 4.467 -3.262 637 HG2 MET 79 2HG MET 79 8.846 5.621 -2.058 638 HG3 MET 79 3HG MET 79 8.514 4.322 -0.930 639 HE1 MET 79 3HE MET 79 10.797 5.748 -0.019 640 HE2 MET 79 1HE MET 79 10.503 4.080 0.518 641 HE3 MET 79 2HE MET 79 12.139 4.581 0.039 642 H VAL 80 H VAL 80 4.998 3.090 -2.657 643 HA VAL 80 HA VAL 80 4.785 2.262 -5.431 644 HB VAL 80 HB VAL 80 2.545 1.585 -5.065 645 HG11 VAL 80 1HG1 VAL 80 2.840 -0.498 -4.070 646 HG12 VAL 80 2HG1 VAL 80 4.467 -0.035 -4.540 647 HG13 VAL 80 3HG1 VAL 80 3.997 0.132 -2.850 648 HG21 VAL 80 3HG2 VAL 80 2.861 2.216 -2.116 649 HG22 VAL 80 1HG2 VAL 80 1.736 2.973 -3.275 650 HG23 VAL 80 2HG2 VAL 80 1.518 1.287 -2.810 651 H ARG 81 H ARG 81 3.071 3.538 -6.496 652 HA ARG 81 HA ARG 81 2.599 6.138 -5.109 653 HB2 ARG 81 2HB ARG 81 2.676 7.289 -7.251 654 HB3 ARG 81 3HB ARG 81 4.225 6.535 -6.896 655 HG2 ARG 81 2HG ARG 81 2.492 4.777 -8.537 656 HG3 ARG 81 3HG ARG 81 2.729 6.367 -9.264 657 HD2 ARG 81 2HD ARG 81 5.213 6.070 -8.922 658 HD3 ARG 81 3HD ARG 81 4.879 4.399 -8.408 659 HE ARG 81 HE ARG 81 3.618 4.975 -10.910 660 HH11 ARG 81 2HH2 ARG 81 6.779 4.311 -9.527 661 HH12 ARG 81 1HH2 ARG 81 7.522 3.782 -10.998 662 HH21 ARG 81 2HH1 ARG 81 4.564 4.292 -12.926 663 HH22 ARG 81 1HH1 ARG 81 6.216 3.797 -12.992 664 H ARG 82 H ARG 82 0.534 6.990 -5.209 665 HA ARG 82 HA ARG 82 -1.450 5.009 -6.055 666 HB2 ARG 82 2HB ARG 82 -3.067 6.225 -4.780 667 HB3 ARG 82 3HB ARG 82 -1.607 6.003 -3.843 668 HG2 ARG 82 2HG ARG 82 -2.360 8.130 -3.351 669 HG3 ARG 82 3HG ARG 82 -0.965 8.411 -4.405 670 HD2 ARG 82 2HD ARG 82 -2.354 9.190 -6.147 671 HD3 ARG 82 3HD ARG 82 -3.753 8.284 -5.538 672 HE ARG 82 HE ARG 82 -4.329 9.910 -4.129 673 HH11 ARG 82 2HH2 ARG 82 -1.176 10.723 -5.459 674 HH12 ARG 82 1HH2 ARG 82 -1.185 12.374 -4.940 675 HH21 ARG 82 2HH1 ARG 82 -4.392 12.092 -3.415 676 HH22 ARG 82 1HH1 ARG 82 -3.055 13.154 -3.688 677 H LEU 83 H LEU 83 -3.653 6.485 -6.826 678 HA LEU 83 HA LEU 83 -2.810 7.075 -9.565 679 HB2 LEU 83 2HB LEU 83 -5.211 6.986 -10.069 680 HB3 LEU 83 3HB LEU 83 -4.628 5.500 -9.339 681 HG LEU 83 HG LEU 83 -5.923 7.591 -7.570 682 HD11 LEU 83 1HD1 LEU 83 -7.430 7.340 -9.516 683 HD12 LEU 83 2HD1 LEU 83 -7.481 5.580 -9.240 684 HD13 LEU 83 3HD1 LEU 83 -8.114 6.705 -8.027 685 HD21 LEU 83 3HD2 LEU 83 -6.131 5.922 -6.046 686 HD22 LEU 83 1HD2 LEU 83 -6.627 4.737 -7.244 687 HD23 LEU 83 2HD2 LEU 83 -4.918 5.047 -7.005 688 H ASP 84 H ASP 84 -2.996 9.086 -10.564 689 HA ASP 84 HA ASP 84 -2.947 11.384 -8.982 690 HB2 ASP 84 2HB ASP 84 -3.296 10.923 -11.947 691 HB3 ASP 84 3HB ASP 84 -3.383 12.554 -11.265 692 HA PRO 85 HA PRO 85 -7.424 12.549 -9.969 693 HB2 PRO 85 2HB PRO 85 -9.182 10.785 -11.109 694 HB3 PRO 85 3HB PRO 85 -8.106 11.838 -12.085 695 HG2 PRO 85 2HG PRO 85 -7.650 8.948 -11.282 696 HG3 PRO 85 3HG PRO 85 -7.503 9.676 -12.915 697 HD2 PRO 85 2HD PRO 85 -5.341 9.298 -11.318 698 HD3 PRO 85 3HD PRO 85 -5.483 10.755 -12.351 699 H LEU 86 H LEU 86 -9.282 12.205 -8.506 700 HA LEU 86 HA LEU 86 -8.469 10.628 -6.269 701 HB2 LEU 86 2HB LEU 86 -11.088 12.067 -6.883 702 HB3 LEU 86 3HB LEU 86 -10.838 11.108 -5.432 703 HG LEU 86 HG LEU 86 -8.626 12.594 -5.192 704 HD11 LEU 86 1HD1 LEU 86 -8.965 13.914 -7.261 705 HD12 LEU 86 2HD1 LEU 86 -10.567 14.429 -6.676 706 HD13 LEU 86 3HD1 LEU 86 -9.092 14.941 -5.830 707 HD21 LEU 86 3HD2 LEU 86 -11.431 13.509 -4.445 708 HD22 LEU 86 1HD2 LEU 86 -10.401 12.394 -3.522 709 HD23 LEU 86 2HD2 LEU 86 -9.919 14.086 -3.707 710 HA PRO 87 HA PRO 87 -10.246 6.736 -7.433 711 HB2 PRO 87 2HB PRO 87 -10.206 5.450 -5.038 712 HB3 PRO 87 3HB PRO 87 -8.690 5.896 -5.869 713 HG2 PRO 87 2HG PRO 87 -10.094 7.418 -3.638 714 HG3 PRO 87 3HG PRO 87 -8.362 6.969 -3.756 715 HD2 PRO 87 2HD PRO 87 -9.293 9.426 -4.500 716 HD3 PRO 87 3HD PRO 87 -7.938 8.626 -5.363 717 H GLU 88 H GLU 88 -12.339 5.852 -7.564 718 HA GLU 88 HA GLU 88 -14.265 6.377 -5.443 719 HB2 GLU 88 2HB GLU 88 -14.281 8.375 -7.112 720 HB3 GLU 88 3HB GLU 88 -14.883 7.228 -8.304 721 HG2 GLU 88 2HG GLU 88 -16.958 7.648 -7.535 722 HG3 GLU 88 3HG GLU 88 -16.524 6.777 -6.063 723 H ASN 89 H ASN 89 -15.605 4.531 -5.382 724 HA ASN 89 HA ASN 89 -16.288 2.383 -5.811 725 HB2 ASN 89 2HB ASN 89 -16.683 3.578 -8.579 726 HB3 ASN 89 3HB ASN 89 -17.428 2.100 -7.979 727 HD21 ASN 89 1HD2 ASN 89 -17.574 5.618 -7.870 728 HD22 ASN 89 2HD2 ASN 89 -19.020 5.673 -6.878 729 H ILE 90 H ILE 90 -13.425 2.450 -5.914 730 HA ILE 90 HA ILE 90 -12.696 1.464 -8.522 731 HB ILE 90 HB ILE 90 -11.441 3.079 -6.822 732 HG12 ILE 90 2HG1 ILE 90 -9.236 2.405 -7.863 733 HG13 ILE 90 3HG1 ILE 90 -10.092 1.093 -8.676 734 HG21 ILE 90 1HG2 ILE 90 -10.108 0.456 -6.069 735 HG22 ILE 90 2HG2 ILE 90 -9.756 2.085 -5.476 736 HG23 ILE 90 3HG2 ILE 90 -11.282 1.310 -5.034 737 HD11 ILE 90 3HD1 ILE 90 -11.636 2.830 -9.707 738 HD12 ILE 90 1HD1 ILE 90 -10.679 4.089 -8.898 739 HD13 ILE 90 2HD1 ILE 90 -9.945 3.068 -10.150 740 H ASP 91 H ASP 91 -11.425 -0.496 -8.961 741 HA ASP 91 HA ASP 91 -11.219 -2.494 -6.897 742 HB2 ASP 91 2HB ASP 91 -13.321 -3.183 -7.990 743 HB3 ASP 91 3HB ASP 91 -12.555 -3.075 -9.585 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -0.427 -14.196 -2.936 2 H2 MET 1 H2 MET 1 1.175 -13.771 -3.136 3 H3 MET 1 H3 MET 1 0.150 -13.638 -4.391 4 HA MET 1 HA MET 1 1.553 -15.450 -4.684 5 HB2 MET 1 2HB MET 1 1.859 -15.847 -2.224 6 HB3 MET 1 3HB MET 1 0.319 -16.700 -2.190 7 HG2 MET 1 2HG MET 1 2.719 -17.372 -3.948 8 HG3 MET 1 3HG MET 1 2.349 -18.154 -2.414 9 HE1 MET 1 1HE MET 1 2.705 -20.475 -3.665 10 HE2 MET 1 2HE MET 1 1.832 -20.926 -5.149 11 HE3 MET 1 3HE MET 1 2.998 -19.583 -5.177 12 H SER 2 H SER 2 -1.378 -17.028 -3.224 13 HA SER 2 HA SER 2 -2.378 -17.704 -5.807 14 HB2 SER 2 2HB SER 2 -3.831 -17.465 -3.132 15 HB3 SER 2 3HB SER 2 -4.322 -18.447 -4.533 16 HG SER 2 HG SER 2 -1.931 -19.247 -4.131 17 H GLU 3 H GLU 3 -3.960 -16.666 -7.065 18 HA GLU 3 HA GLU 3 -3.971 -13.839 -6.947 19 HB2 GLU 3 2HB GLU 3 -5.463 -13.990 -8.860 20 HB3 GLU 3 3HB GLU 3 -4.177 -15.193 -8.988 21 HG2 GLU 3 2HG GLU 3 -5.982 -16.783 -7.813 22 HG3 GLU 3 3HG GLU 3 -7.124 -15.597 -8.449 23 H GLU 4 H GLU 4 -6.383 -16.161 -5.646 24 HA GLU 4 HA GLU 4 -8.379 -14.229 -5.104 25 HB2 GLU 4 2HB GLU 4 -7.515 -16.681 -3.512 26 HB3 GLU 4 3HB GLU 4 -8.966 -15.723 -3.157 27 HG2 GLU 4 2HG GLU 4 -9.822 -16.160 -5.446 28 HG3 GLU 4 3HG GLU 4 -8.402 -17.167 -5.783 29 H THR 5 H THR 5 -5.612 -15.223 -2.975 30 HA THR 5 HA THR 5 -6.239 -13.304 -0.971 31 HB THR 5 HB THR 5 -3.472 -14.377 -1.599 32 HG1 THR 5 1HG THR 5 -5.571 -15.771 -0.305 33 HG21 THR 5 1HG2 THR 5 -3.289 -14.479 0.878 34 HG22 THR 5 2HG2 THR 5 -3.642 -12.834 0.319 35 HG23 THR 5 3HG2 THR 5 -4.933 -13.823 1.027 36 H SER 6 H SER 6 -4.111 -13.245 -3.815 37 HA SER 6 HA SER 6 -2.746 -10.863 -3.155 38 HB2 SER 6 2HB SER 6 -2.202 -12.645 -4.963 39 HB3 SER 6 3HB SER 6 -3.334 -11.763 -6.004 40 HG SER 6 HG SER 6 -2.011 -9.900 -5.663 41 H THR 7 H THR 7 -5.640 -11.430 -5.055 42 HA THR 7 HA THR 7 -6.251 -8.670 -5.664 43 HB THR 7 HB THR 7 -8.020 -11.154 -5.494 44 HG1 THR 7 1HG THR 7 -6.690 -11.625 -7.064 45 HG21 THR 7 1HG2 THR 7 -9.630 -10.138 -6.876 46 HG22 THR 7 2HG2 THR 7 -9.272 -8.887 -5.667 47 HG23 THR 7 3HG2 THR 7 -8.567 -8.794 -7.295 48 H GLN 8 H GLN 8 -7.206 -10.864 -3.026 49 HA GLN 8 HA GLN 8 -9.137 -9.015 -1.946 50 HB2 GLN 8 2HB GLN 8 -7.615 -11.419 -0.867 51 HB3 GLN 8 3HB GLN 8 -8.599 -10.468 0.213 52 HG2 GLN 8 2HG GLN 8 -9.632 -11.755 -2.370 53 HG3 GLN 8 3HG GLN 8 -9.725 -12.519 -0.779 54 HE21 GLN 8 1HE2 GLN 8 -12.107 -12.543 -1.546 55 HE22 GLN 8 2HE2 GLN 8 -13.042 -11.153 -1.019 56 H ILE 9 H ILE 9 -5.674 -9.175 -1.753 57 HA ILE 9 HA ILE 9 -5.743 -7.291 0.543 58 HB ILE 9 HB ILE 9 -4.068 -9.300 0.170 59 HG12 ILE 9 2HG1 ILE 9 -3.192 -6.580 1.270 60 HG13 ILE 9 3HG1 ILE 9 -4.312 -7.674 2.089 61 HG21 ILE 9 1HG2 ILE 9 -3.047 -8.384 -1.926 62 HG22 ILE 9 2HG2 ILE 9 -2.430 -7.015 -0.977 63 HG23 ILE 9 3HG2 ILE 9 -1.902 -8.681 -0.640 64 HD11 ILE 9 3HD1 ILE 9 -2.169 -8.106 3.024 65 HD12 ILE 9 1HD1 ILE 9 -2.553 -9.472 1.962 66 HD13 ILE 9 2HD1 ILE 9 -1.390 -8.210 1.443 67 H LEU 10 H LEU 10 -5.113 -7.551 -2.900 68 HA LEU 10 HA LEU 10 -3.890 -5.068 -3.262 69 HB2 LEU 10 2HB LEU 10 -4.754 -7.116 -4.996 70 HB3 LEU 10 3HB LEU 10 -5.744 -5.782 -5.453 71 HG LEU 10 HG LEU 10 -2.718 -6.029 -5.464 72 HD11 LEU 10 1HD1 LEU 10 -4.963 -5.599 -7.447 73 HD12 LEU 10 2HD1 LEU 10 -3.295 -5.182 -7.862 74 HD13 LEU 10 3HD1 LEU 10 -3.717 -6.843 -7.421 75 HD21 LEU 10 3HD2 LEU 10 -2.743 -3.878 -4.605 76 HD22 LEU 10 1HD2 LEU 10 -2.867 -3.546 -6.322 77 HD23 LEU 10 2HD2 LEU 10 -4.315 -3.481 -5.311 78 H LYS 11 H LYS 11 -7.323 -5.890 -3.705 79 HA LYS 11 HA LYS 11 -8.269 -3.261 -4.081 80 HB2 LYS 11 2HB LYS 11 -10.451 -4.172 -3.656 81 HB3 LYS 11 3HB LYS 11 -9.489 -5.463 -4.402 82 HG2 LYS 11 2HG LYS 11 -8.958 -6.087 -1.871 83 HG3 LYS 11 3HG LYS 11 -10.468 -5.209 -1.560 84 HD2 LYS 11 2HD LYS 11 -10.011 -7.555 -3.440 85 HD3 LYS 11 3HD LYS 11 -10.811 -7.599 -1.852 86 HE2 LYS 11 2HE LYS 11 -12.611 -6.149 -2.700 87 HE3 LYS 11 3HE LYS 11 -11.823 -6.086 -4.293 88 HZ1 LYS 11 3HZ LYS 11 -12.733 -8.564 -2.978 89 HZ2 LYS 11 1HZ LYS 11 -13.578 -7.766 -4.156 90 HZ3 LYS 11 2HZ LYS 11 -12.112 -8.430 -4.498 91 H GLN 12 H GLN 12 -7.339 -4.938 -1.127 92 HA GLN 12 HA GLN 12 -8.499 -2.929 0.598 93 HB2 GLN 12 2HB GLN 12 -7.068 -5.502 0.949 94 HB3 GLN 12 3HB GLN 12 -6.835 -4.327 2.234 95 HG2 GLN 12 2HG GLN 12 -9.556 -5.165 1.192 96 HG3 GLN 12 3HG GLN 12 -8.782 -5.795 2.655 97 HE21 GLN 12 1HE2 GLN 12 -11.046 -3.503 1.667 98 HE22 GLN 12 2HE2 GLN 12 -10.768 -2.307 2.920 99 H VAL 13 H VAL 13 -5.364 -3.339 -0.957 100 HA VAL 13 HA VAL 13 -3.974 -1.405 0.741 101 HB VAL 13 HB VAL 13 -3.420 -2.889 -1.849 102 HG11 VAL 13 1HG1 VAL 13 -1.633 -0.790 -0.545 103 HG12 VAL 13 2HG1 VAL 13 -1.103 -1.956 -1.784 104 HG13 VAL 13 3HG1 VAL 13 -2.327 -0.751 -2.178 105 HG21 VAL 13 3HG2 VAL 13 -1.951 -2.862 0.818 106 HG22 VAL 13 1HG2 VAL 13 -3.172 -4.067 0.367 107 HG23 VAL 13 2HG2 VAL 13 -1.663 -3.960 -0.550 108 H GLU 14 H GLU 14 -5.560 -1.479 -2.453 109 HA GLU 14 HA GLU 14 -5.205 1.255 -3.019 110 HB2 GLU 14 2HB GLU 14 -5.757 -0.408 -4.693 111 HB3 GLU 14 3HB GLU 14 -7.280 -0.808 -3.918 112 HG2 GLU 14 2HG GLU 14 -6.690 2.004 -4.916 113 HG3 GLU 14 3HG GLU 14 -7.206 0.745 -6.029 114 H TYR 15 H TYR 15 -7.741 -0.486 -1.214 115 HA TYR 15 HA TYR 15 -9.591 1.527 -0.988 116 HB2 TYR 15 2HB TYR 15 -10.394 -0.513 -0.317 117 HB3 TYR 15 3HB TYR 15 -8.871 -0.973 0.418 118 HD1 TYR 15 HD1 TYR 15 -8.265 -0.565 2.660 119 HD2 TYR 15 HD2 TYR 15 -12.022 0.834 1.066 120 HE1 TYR 15 HE1 TYR 15 -8.925 0.096 4.885 121 HE2 TYR 15 HE2 TYR 15 -12.743 1.467 3.334 122 HH TYR 15 HH TYR 15 -11.705 2.137 5.420 123 H TYR 16 H TYR 16 -6.648 0.995 1.040 124 HA TYR 16 HA TYR 16 -7.351 2.945 2.996 125 HB2 TYR 16 2HB TYR 16 -4.796 1.662 2.127 126 HB3 TYR 16 3HB TYR 16 -4.702 3.148 3.061 127 HD1 TYR 16 HD2 TYR 16 -6.072 3.345 5.216 128 HD2 TYR 16 HD1 TYR 16 -5.269 -0.407 3.256 129 HE1 TYR 16 HE2 TYR 16 -6.512 2.150 7.348 130 HE2 TYR 16 HE1 TYR 16 -5.696 -1.607 5.371 131 HH TYR 16 HH TYR 16 -5.983 -1.342 7.684 132 H PHE 17 H PHE 17 -6.103 3.466 -0.252 133 HA PHE 17 HA PHE 17 -5.763 6.346 0.313 134 HB2 PHE 17 2HB PHE 17 -5.329 4.670 -2.189 135 HB3 PHE 17 3HB PHE 17 -5.056 6.414 -2.088 136 HD1 PHE 17 1HD PHE 17 -3.874 3.088 -0.920 137 HD2 PHE 17 2HD PHE 17 -3.200 7.356 -0.768 138 HE1 PHE 17 1HE PHE 17 -1.770 2.718 0.330 139 HE2 PHE 17 2HE PHE 17 -1.095 6.979 0.453 140 HZ PHE 17 HZ PHE 17 -0.412 4.670 1.079 141 H SER 18 H SER 18 -8.018 4.129 -1.236 142 HA SER 18 HA SER 18 -9.407 6.172 -2.721 143 HB2 SER 18 2HB SER 18 -8.900 3.582 -3.089 144 HB3 SER 18 3HB SER 18 -10.474 3.384 -2.304 145 HG SER 18 HG SER 18 -10.296 3.647 -4.673 146 H ASP 19 H ASP 19 -9.786 4.732 0.413 147 HA ASP 19 HA ASP 19 -12.582 5.419 0.894 148 HB2 ASP 19 2HB ASP 19 -11.408 3.377 1.711 149 HB3 ASP 19 3HB ASP 19 -10.310 4.382 2.654 150 H SER 20 H SER 20 -10.371 7.534 0.306 151 HA SER 20 HA SER 20 -9.223 9.270 1.216 152 HB2 SER 20 2HB SER 20 -12.052 9.645 2.224 153 HB3 SER 20 3HB SER 20 -10.790 10.880 2.442 154 HG SER 20 HG SER 20 -11.970 11.146 0.483 155 H ASN 21 H ASN 21 -8.815 6.838 2.749 156 HA ASN 21 HA ASN 21 -8.869 7.776 5.529 157 HB2 ASN 21 2HB ASN 21 -9.122 5.275 4.391 158 HB3 ASN 21 3HB ASN 21 -7.464 5.245 4.995 159 HD21 ASN 21 1HD2 ASN 21 -10.544 4.409 5.851 160 HD22 ASN 21 2HD2 ASN 21 -10.391 4.608 7.585 161 H PHE 22 H PHE 22 -6.522 7.623 2.850 162 HA PHE 22 HA PHE 22 -4.156 7.815 4.326 163 HB2 PHE 22 2HB PHE 22 -3.632 7.485 2.182 164 HB3 PHE 22 3HB PHE 22 -5.101 8.251 1.595 165 HD1 PHE 22 1HD PHE 22 -1.938 9.416 3.329 166 HD2 PHE 22 2HD PHE 22 -4.846 10.012 0.201 167 HE1 PHE 22 1HE PHE 22 -0.786 11.479 2.642 168 HE2 PHE 22 2HE PHE 22 -3.771 12.083 -0.425 169 HZ PHE 22 HZ PHE 22 -1.679 12.858 0.766 170 HA PRO 23 HA PRO 23 -4.522 12.426 4.488 171 HB2 PRO 23 2HB PRO 23 -6.957 13.752 4.348 172 HB3 PRO 23 3HB PRO 23 -5.872 13.476 2.936 173 HG2 PRO 23 2HG PRO 23 -8.249 11.829 3.841 174 HG3 PRO 23 3HG PRO 23 -7.876 12.405 2.182 175 HD2 PRO 23 2HD PRO 23 -7.253 9.889 2.945 176 HD3 PRO 23 3HD PRO 23 -6.138 10.828 1.930 177 H ARG 24 H ARG 24 -6.870 10.278 5.877 178 HA ARG 24 HA ARG 24 -7.328 11.970 8.237 179 HB2 ARG 24 2HB ARG 24 -9.022 10.346 7.154 180 HB3 ARG 24 3HB ARG 24 -8.003 9.037 7.770 181 HG2 ARG 24 2HG ARG 24 -8.237 10.385 10.062 182 HG3 ARG 24 3HG ARG 24 -9.665 11.067 9.291 183 HD2 ARG 24 2HD ARG 24 -9.244 8.059 9.292 184 HD3 ARG 24 3HD ARG 24 -9.716 8.854 10.800 185 HE ARG 24 HE ARG 24 -11.499 9.771 8.856 186 HH11 ARG 24 2HH2 ARG 24 -10.561 6.683 10.243 187 HH12 ARG 24 1HH2 ARG 24 -12.162 6.038 10.376 188 HH21 ARG 24 2HH1 ARG 24 -13.693 8.931 8.971 189 HH22 ARG 24 1HH1 ARG 24 -13.979 7.342 9.571 190 H ASP 25 H ASP 25 -5.483 8.980 7.380 191 HA ASP 25 HA ASP 25 -4.732 8.784 10.192 192 HB2 ASP 25 2HB ASP 25 -5.468 6.804 8.876 193 HB3 ASP 25 3HB ASP 25 -3.976 6.930 7.935 194 H LYS 26 H LYS 26 -3.263 10.059 10.763 195 HA LYS 26 HA LYS 26 -1.042 11.167 9.599 196 HB2 LYS 26 2HB LYS 26 -0.004 11.353 11.756 197 HB3 LYS 26 3HB LYS 26 -1.723 11.685 11.907 198 HG2 LYS 26 2HG LYS 26 -0.585 8.929 12.533 199 HG3 LYS 26 3HG LYS 26 -0.495 10.228 13.700 200 HD2 LYS 26 2HD LYS 26 -2.714 10.168 14.217 201 HD3 LYS 26 3HD LYS 26 -3.224 9.781 12.590 202 HE2 LYS 26 2HE LYS 26 -3.701 7.867 13.925 203 HE3 LYS 26 3HE LYS 26 -2.377 7.462 12.836 204 HZ1 LYS 26 3HZ LYS 26 -0.844 7.842 14.661 205 HZ2 LYS 26 1HZ LYS 26 -2.092 8.192 15.682 206 HZ3 LYS 26 2HZ LYS 26 -1.945 6.681 15.043 207 H PHE 27 H PHE 27 -1.364 7.775 10.435 208 HA PHE 27 HA PHE 27 1.348 6.926 10.269 209 HB2 PHE 27 2HB PHE 27 -0.676 5.644 11.062 210 HB3 PHE 27 3HB PHE 27 -1.188 5.501 9.384 211 HD1 PHE 27 1HD PHE 27 1.929 4.953 11.422 212 HD2 PHE 27 2HD PHE 27 -0.677 3.477 8.316 213 HE1 PHE 27 1HE PHE 27 3.324 2.939 11.214 214 HE2 PHE 27 2HE PHE 27 0.729 1.445 8.114 215 HZ PHE 27 HZ PHE 27 2.712 1.151 9.583 216 H LEU 28 H LEU 28 -1.242 7.130 7.760 217 HA LEU 28 HA LEU 28 0.519 6.301 5.606 218 HB2 LEU 28 2HB LEU 28 -2.157 7.741 5.652 219 HB3 LEU 28 3HB LEU 28 -1.273 7.404 4.155 220 HG LEU 28 HG LEU 28 -1.546 5.048 5.932 221 HD11 LEU 28 1HD1 LEU 28 -4.015 5.585 4.301 222 HD12 LEU 28 2HD1 LEU 28 -3.814 4.678 5.816 223 HD13 LEU 28 3HD1 LEU 28 -3.879 6.404 5.869 224 HD21 LEU 28 3HD2 LEU 28 -1.670 3.961 3.751 225 HD22 LEU 28 1HD2 LEU 28 -2.169 5.463 2.976 226 HD23 LEU 28 2HD2 LEU 28 -0.508 5.264 3.588 227 H ARG 29 H ARG 29 -0.693 9.441 6.752 228 HA ARG 29 HA ARG 29 0.598 11.052 4.856 229 HB2 ARG 29 2HB ARG 29 -0.104 11.716 7.731 230 HB3 ARG 29 3HB ARG 29 0.430 12.904 6.531 231 HG2 ARG 29 2HG ARG 29 -1.469 12.354 5.070 232 HG3 ARG 29 3HG ARG 29 -1.983 11.091 6.195 233 HD2 ARG 29 2HD ARG 29 -3.371 13.003 6.553 234 HD3 ARG 29 3HD ARG 29 -2.350 12.771 7.962 235 HE ARG 29 HE ARG 29 -1.370 14.798 7.595 236 HH11 ARG 29 2HH2 ARG 29 -3.046 13.866 4.647 237 HH12 ARG 29 1HH2 ARG 29 -3.054 15.443 3.934 238 HH21 ARG 29 2HH1 ARG 29 -1.365 16.941 6.688 239 HH22 ARG 29 1HH1 ARG 29 -2.051 17.230 5.134 240 H SER 30 H SER 30 2.007 9.631 7.828 241 HA SER 30 HA SER 30 4.386 11.230 7.773 242 HB2 SER 30 2HB SER 30 3.415 8.761 9.106 243 HB3 SER 30 3HB SER 30 5.140 8.696 8.724 244 HG SER 30 HG SER 30 4.786 9.662 10.733 245 H GLU 31 H GLU 31 3.496 8.184 6.077 246 HA GLU 31 HA GLU 31 6.215 7.982 5.036 247 HB2 GLU 31 2HB GLU 31 4.487 6.095 5.567 248 HB3 GLU 31 3HB GLU 31 3.803 6.482 3.990 249 HG2 GLU 31 2HG GLU 31 5.336 4.691 3.704 250 HG3 GLU 31 3HG GLU 31 6.104 6.126 2.994 251 H ALA 32 H ALA 32 3.021 8.982 3.866 252 HA ALA 32 HA ALA 32 3.594 9.457 1.160 253 HB1 ALA 32 1HB ALA 32 1.563 10.868 1.287 254 HB2 ALA 32 2HB ALA 32 1.332 9.392 2.224 255 HB3 ALA 32 3HB ALA 32 1.705 10.932 3.042 256 H ALA 33 H ALA 33 4.120 11.440 4.068 257 HA ALA 33 HA ALA 33 4.768 13.885 2.846 258 HB1 ALA 33 1HB ALA 33 5.862 14.376 5.057 259 HB2 ALA 33 2HB ALA 33 4.209 13.759 5.189 260 HB3 ALA 33 3HB ALA 33 5.579 12.683 5.529 261 H LYS 34 H LYS 34 6.642 10.975 2.628 262 HA LYS 34 HA LYS 34 9.195 12.427 2.435 263 HB2 LYS 34 2HB LYS 34 8.301 9.594 2.461 264 HB3 LYS 34 3HB LYS 34 9.478 9.919 1.214 265 HG2 LYS 34 2HG LYS 34 10.612 9.225 3.245 266 HG3 LYS 34 3HG LYS 34 11.021 10.893 2.858 267 HD2 LYS 34 2HD LYS 34 10.667 10.717 5.245 268 HD3 LYS 34 3HD LYS 34 9.377 11.692 4.556 269 HE2 LYS 34 2HE LYS 34 8.410 10.213 6.185 270 HE3 LYS 34 3HE LYS 34 7.861 9.694 4.595 271 HZ1 LYS 34 3HZ LYS 34 8.562 7.857 6.010 272 HZ2 LYS 34 1HZ LYS 34 9.348 7.870 4.662 273 HZ3 LYS 34 2HZ LYS 34 10.120 8.418 6.036 274 H ASN 35 H ASN 35 6.510 11.577 0.292 275 HA ASN 35 HA ASN 35 7.762 13.335 -1.673 276 HB2 ASN 35 2HB ASN 35 8.447 10.808 -2.082 277 HB3 ASN 35 3HB ASN 35 6.834 10.690 -2.787 278 HD21 ASN 35 1HD2 ASN 35 6.434 12.893 -4.285 279 HD22 ASN 35 2HD2 ASN 35 7.811 13.200 -5.360 280 H VAL 36 H VAL 36 5.625 14.031 -0.210 281 HA VAL 36 HA VAL 36 3.549 14.873 -0.342 282 HB VAL 36 HB VAL 36 4.101 14.453 -3.261 283 HG11 VAL 36 1HG1 VAL 36 1.378 15.166 -2.155 284 HG12 VAL 36 2HG1 VAL 36 1.933 15.541 -3.808 285 HG13 VAL 36 3HG1 VAL 36 1.806 13.861 -3.299 286 HG21 VAL 36 3HG2 VAL 36 5.001 16.381 -2.011 287 HG22 VAL 36 1HG2 VAL 36 3.868 16.866 -3.285 288 HG23 VAL 36 2HG2 VAL 36 3.341 16.866 -1.588 289 H ASP 37 H ASP 37 3.204 12.194 -2.614 290 HA ASP 37 HA ASP 37 2.239 10.321 -0.671 291 HB2 ASP 37 2HB ASP 37 0.160 11.744 -0.944 292 HB3 ASP 37 3HB ASP 37 0.136 11.307 -2.651 293 H ASN 38 H ASN 38 4.295 10.570 -2.736 294 HA ASN 38 HA ASN 38 3.287 8.751 -4.835 295 HB2 ASN 38 2HB ASN 38 5.511 10.794 -4.837 296 HB3 ASN 38 3HB ASN 38 5.495 9.476 -6.002 297 HD21 ASN 38 1HD2 ASN 38 5.156 12.428 -6.475 298 HD22 ASN 38 2HD2 ASN 38 3.624 12.505 -7.330 299 H TYR 39 H TYR 39 5.238 8.676 -2.007 300 HA TYR 39 HA TYR 39 6.399 6.130 -2.937 301 HB2 TYR 39 2HB TYR 39 7.833 8.378 -1.431 302 HB3 TYR 39 3HB TYR 39 8.431 6.740 -1.492 303 HD1 TYR 39 HD2 TYR 39 7.594 6.582 -4.707 304 HD2 TYR 39 HD1 TYR 39 10.072 9.075 -2.201 305 HE1 TYR 39 HE2 TYR 39 8.945 7.184 -6.655 306 HE2 TYR 39 HE1 TYR 39 11.437 9.673 -4.157 307 HH TYR 39 HH TYR 39 11.727 9.417 -6.463 308 H ILE 40 H ILE 40 5.883 4.588 -1.465 309 HA ILE 40 HA ILE 40 5.145 5.341 1.288 310 HB ILE 40 HB ILE 40 3.460 3.602 -0.550 311 HG12 ILE 40 2HG1 ILE 40 2.469 6.238 0.549 312 HG13 ILE 40 3HG1 ILE 40 3.337 6.221 -0.981 313 HG21 ILE 40 1HG2 ILE 40 3.438 3.016 1.886 314 HG22 ILE 40 2HG2 ILE 40 2.940 4.673 2.265 315 HG23 ILE 40 3HG2 ILE 40 1.865 3.604 1.342 316 HD11 ILE 40 3HD1 ILE 40 1.750 4.931 -2.099 317 HD12 ILE 40 1HD1 ILE 40 1.005 4.363 -0.605 318 HD13 ILE 40 2HD1 ILE 40 0.806 6.060 -1.111 319 H SER 41 H SER 41 6.595 3.989 2.502 320 HA SER 41 HA SER 41 7.938 1.862 1.264 321 HB2 SER 41 2HB SER 41 8.787 3.185 3.245 322 HB3 SER 41 3HB SER 41 7.651 2.233 4.250 323 HG SER 41 HG SER 41 9.701 1.161 4.101 324 H ILE 42 H ILE 42 7.695 -0.229 1.258 325 HA ILE 42 HA ILE 42 5.299 -1.603 1.965 326 HB ILE 42 HB ILE 42 6.779 -2.445 0.316 327 HG12 ILE 42 2HG1 ILE 42 5.413 -3.962 1.971 328 HG13 ILE 42 3HG1 ILE 42 6.383 -4.609 0.659 329 HG21 ILE 42 1HG2 ILE 42 8.962 -1.712 1.199 330 HG22 ILE 42 2HG2 ILE 42 8.851 -2.857 2.534 331 HG23 ILE 42 3HG2 ILE 42 8.993 -3.439 0.854 332 HD11 ILE 42 3HD1 ILE 42 6.663 -5.861 2.797 333 HD12 ILE 42 1HD1 ILE 42 8.183 -5.237 2.153 334 HD13 ILE 42 2HD1 ILE 42 7.399 -4.428 3.527 335 H ASP 43 H ASP 43 7.918 -0.398 3.996 336 HA ASP 43 HA ASP 43 7.532 -2.237 6.165 337 HB2 ASP 43 2HB ASP 43 8.301 0.711 6.192 338 HB3 ASP 43 3HB ASP 43 8.366 -0.365 7.593 339 H VAL 44 H VAL 44 5.889 0.847 5.304 340 HA VAL 44 HA VAL 44 4.232 0.923 7.652 341 HB VAL 44 HB VAL 44 4.794 2.517 5.215 342 HG11 VAL 44 1HG1 VAL 44 1.969 2.602 6.309 343 HG12 VAL 44 2HG1 VAL 44 2.730 3.845 5.291 344 HG13 VAL 44 3HG1 VAL 44 2.490 2.221 4.645 345 HG21 VAL 44 3HG2 VAL 44 3.854 3.249 8.014 346 HG22 VAL 44 1HG2 VAL 44 5.551 3.044 7.506 347 HG23 VAL 44 2HG2 VAL 44 4.568 4.338 6.820 348 H ILE 45 H ILE 45 3.843 -0.051 4.257 349 HA ILE 45 HA ILE 45 1.066 -0.738 4.487 350 HB ILE 45 HB ILE 45 3.139 -1.820 2.593 351 HG12 ILE 45 2HG1 ILE 45 1.372 0.628 2.058 352 HG13 ILE 45 3HG1 ILE 45 2.992 0.795 2.698 353 HG21 ILE 45 1HG2 ILE 45 1.248 -2.128 1.015 354 HG22 ILE 45 2HG2 ILE 45 0.897 -2.937 2.540 355 HG23 ILE 45 3HG2 ILE 45 0.136 -1.381 2.182 356 HD11 ILE 45 3HD1 ILE 45 3.899 -0.452 0.723 357 HD12 ILE 45 1HD1 ILE 45 2.267 -0.390 0.018 358 HD13 ILE 45 2HD1 ILE 45 3.146 1.106 0.347 359 H ALA 46 H ALA 46 4.057 -2.553 5.037 360 HA ALA 46 HA ALA 46 2.733 -5.104 5.348 361 HB1 ALA 46 1HB ALA 46 5.435 -4.094 6.378 362 HB2 ALA 46 2HB ALA 46 4.869 -5.765 6.497 363 HB3 ALA 46 3HB ALA 46 5.161 -5.045 4.899 364 H SER 47 H SER 47 3.583 -2.368 7.415 365 HA SER 47 HA SER 47 2.931 -3.799 9.879 366 HB2 SER 47 2HB SER 47 4.700 -2.060 9.653 367 HB3 SER 47 3HB SER 47 3.449 -0.847 9.360 368 HG SER 47 HG SER 47 3.824 -2.415 11.703 369 H PHE 48 H PHE 48 1.133 -2.078 7.535 370 HA PHE 48 HA PHE 48 -0.428 -0.384 8.600 371 HB2 PHE 48 2HB PHE 48 -0.404 -1.744 6.244 372 HB3 PHE 48 3HB PHE 48 -1.991 -2.204 6.812 373 HD1 PHE 48 2HD PHE 48 -2.388 0.721 8.219 374 HD2 PHE 48 1HD PHE 48 -1.240 -0.748 4.314 375 HE1 PHE 48 2HE PHE 48 -3.317 2.739 7.182 376 HE2 PHE 48 1HE PHE 48 -2.194 1.287 3.279 377 HZ PHE 48 HZ PHE 48 -3.267 2.986 4.708 378 H ASN 49 H ASN 49 -1.241 -3.753 8.991 379 HA ASN 49 HA ASN 49 -2.521 -4.565 10.881 380 HB2 ASN 49 2HB ASN 49 -4.440 -2.277 10.266 381 HB3 ASN 49 3HB ASN 49 -4.959 -3.767 11.020 382 HD21 ASN 49 1HD2 ASN 49 -3.286 -0.794 11.657 383 HD22 ASN 49 2HD2 ASN 49 -3.039 -1.135 13.368 384 H ARG 50 H ARG 50 -4.942 -3.494 8.493 385 HA ARG 50 HA ARG 50 -5.831 -6.126 7.957 386 HB2 ARG 50 2HB ARG 50 -6.290 -3.442 6.746 387 HB3 ARG 50 3HB ARG 50 -6.603 -4.819 5.676 388 HG2 ARG 50 2HG ARG 50 -8.100 -5.842 7.270 389 HG3 ARG 50 3HG ARG 50 -7.699 -4.631 8.507 390 HD2 ARG 50 2HD ARG 50 -8.654 -2.859 7.041 391 HD3 ARG 50 3HD ARG 50 -9.130 -4.108 5.873 392 HE ARG 50 HE ARG 50 -10.286 -5.096 8.036 393 HH11 ARG 50 2HH2 ARG 50 -10.351 -1.794 6.760 394 HH12 ARG 50 1HH2 ARG 50 -11.837 -1.354 7.506 395 HH21 ARG 50 2HH1 ARG 50 -12.300 -4.561 9.021 396 HH22 ARG 50 1HH1 ARG 50 -12.993 -2.997 8.807 397 H MET 51 H MET 51 -3.300 -4.314 6.257 398 HA MET 51 HA MET 51 -2.888 -6.328 4.231 399 HB2 MET 51 2HB MET 51 -1.138 -4.158 5.418 400 HB3 MET 51 3HB MET 51 -0.563 -5.265 4.156 401 HG2 MET 51 2HG MET 51 -1.244 -3.290 3.066 402 HG3 MET 51 3HG MET 51 -2.445 -4.520 2.695 403 HE1 MET 51 3HE MET 51 -5.648 -2.915 3.476 404 HE2 MET 51 1HE MET 51 -4.599 -3.595 2.214 405 HE3 MET 51 2HE MET 51 -4.906 -4.522 3.699 406 H LYS 52 H LYS 52 -1.333 -5.630 7.429 407 HA LYS 52 HA LYS 52 0.625 -7.592 7.321 408 HB2 LYS 52 2HB LYS 52 0.186 -5.631 8.973 409 HB3 LYS 52 3HB LYS 52 -0.853 -6.732 9.850 410 HG2 LYS 52 2HG LYS 52 1.852 -7.827 9.173 411 HG3 LYS 52 3HG LYS 52 1.853 -6.423 10.252 412 HD2 LYS 52 2HD LYS 52 0.265 -7.528 11.754 413 HD3 LYS 52 3HD LYS 52 0.252 -8.967 10.703 414 HE2 LYS 52 2HE LYS 52 2.659 -9.292 11.049 415 HE3 LYS 52 3HE LYS 52 2.770 -7.774 11.954 416 HZ1 LYS 52 3HZ LYS 52 2.706 -9.663 13.420 417 HZ2 LYS 52 1HZ LYS 52 1.364 -8.741 13.647 418 HZ3 LYS 52 2HZ LYS 52 1.261 -10.159 12.811 419 H THR 53 H THR 53 -2.780 -7.827 8.205 420 HA THR 53 HA THR 53 -2.561 -10.563 9.211 421 HB THR 53 HB THR 53 -5.094 -10.240 9.408 422 HG1 THR 53 1HG THR 53 -4.557 -7.517 9.099 423 HG21 THR 53 1HG2 THR 53 -3.206 -8.221 10.708 424 HG22 THR 53 2HG2 THR 53 -4.816 -8.674 11.321 425 HG23 THR 53 3HG2 THR 53 -3.509 -9.878 11.265 426 H ILE 54 H ILE 54 -4.234 -8.947 6.418 427 HA ILE 54 HA ILE 54 -5.194 -11.416 5.379 428 HB ILE 54 HB ILE 54 -4.607 -8.778 4.000 429 HG12 ILE 54 2HG1 ILE 54 -7.290 -10.001 4.789 430 HG13 ILE 54 3HG1 ILE 54 -6.399 -8.915 5.846 431 HG21 ILE 54 1HG2 ILE 54 -6.094 -9.578 2.148 432 HG22 ILE 54 2HG2 ILE 54 -4.653 -10.571 2.277 433 HG23 ILE 54 3HG2 ILE 54 -6.185 -11.170 2.931 434 HD11 ILE 54 3HD1 ILE 54 -7.532 -8.226 3.104 435 HD12 ILE 54 1HD1 ILE 54 -8.030 -7.600 4.679 436 HD13 ILE 54 2HD1 ILE 54 -6.441 -7.165 4.021 437 H SER 55 H SER 55 -2.073 -9.850 5.027 438 HA SER 55 HA SER 55 -1.211 -11.866 3.018 439 HB2 SER 55 2HB SER 55 -0.264 -9.210 3.820 440 HB3 SER 55 3HB SER 55 1.037 -10.388 3.922 441 HG SER 55 HG SER 55 -0.668 -10.079 1.679 442 H THR 56 H THR 56 -0.802 -11.136 6.455 443 HA THR 56 HA THR 56 0.245 -12.227 8.119 444 HB THR 56 HB THR 56 -0.158 -14.586 6.257 445 HG1 THR 56 1HG THR 56 -1.966 -13.366 7.137 446 HG21 THR 56 1HG2 THR 56 -0.039 -15.968 8.337 447 HG22 THR 56 2HG2 THR 56 1.533 -15.296 7.880 448 HG23 THR 56 3HG2 THR 56 0.602 -14.559 9.211 449 H ASP 57 H ASP 57 1.941 -11.912 5.059 450 HA ASP 57 HA ASP 57 4.524 -12.251 6.364 451 HB2 ASP 57 2HB ASP 57 3.857 -14.462 5.441 452 HB3 ASP 57 3HB ASP 57 3.506 -13.703 3.883 453 H LEU 58 H LEU 58 5.995 -10.989 5.338 454 HA LEU 58 HA LEU 58 5.049 -8.647 3.875 455 HB2 LEU 58 2HB LEU 58 7.881 -9.556 4.584 456 HB3 LEU 58 3HB LEU 58 7.476 -8.062 3.745 457 HG LEU 58 HG LEU 58 5.896 -7.644 5.831 458 HD11 LEU 58 1HD1 LEU 58 8.079 -9.426 7.005 459 HD12 LEU 58 2HD1 LEU 58 6.974 -8.402 7.941 460 HD13 LEU 58 3HD1 LEU 58 6.334 -9.764 7.023 461 HD21 LEU 58 3HD2 LEU 58 7.745 -6.382 6.890 462 HD22 LEU 58 1HD2 LEU 58 8.923 -7.282 5.907 463 HD23 LEU 58 2HD2 LEU 58 7.755 -6.190 5.135 464 H GLN 59 H GLN 59 6.164 -11.762 2.997 465 HA GLN 59 HA GLN 59 7.245 -11.086 0.414 466 HB2 GLN 59 2HB GLN 59 7.758 -13.152 1.663 467 HB3 GLN 59 3HB GLN 59 6.081 -13.690 1.473 468 HG2 GLN 59 2HG GLN 59 6.298 -13.844 -0.930 469 HG3 GLN 59 3HG GLN 59 7.851 -13.000 -0.911 470 HE21 GLN 59 1HE2 GLN 59 9.607 -14.177 0.558 471 HE22 GLN 59 2HE2 GLN 59 9.653 -15.915 0.297 472 H LEU 60 H LEU 60 3.991 -12.283 1.572 473 HA LEU 60 HA LEU 60 2.825 -12.181 -1.054 474 HB2 LEU 60 2HB LEU 60 1.865 -12.454 1.828 475 HB3 LEU 60 3HB LEU 60 0.742 -12.055 0.549 476 HG LEU 60 HG LEU 60 1.447 -14.067 -0.734 477 HD11 LEU 60 1HD1 LEU 60 3.652 -14.511 0.277 478 HD12 LEU 60 2HD1 LEU 60 2.888 -14.781 1.860 479 HD13 LEU 60 3HD1 LEU 60 2.584 -15.898 0.520 480 HD21 LEU 60 3HD2 LEU 60 0.155 -15.634 0.679 481 HD22 LEU 60 1HD2 LEU 60 0.336 -14.533 2.061 482 HD23 LEU 60 2HD2 LEU 60 -0.596 -14.027 0.640 483 H ILE 61 H ILE 61 3.234 -9.830 1.589 484 HA ILE 61 HA ILE 61 1.460 -7.952 0.346 485 HB ILE 61 HB ILE 61 2.772 -8.099 2.766 486 HG12 ILE 61 2HG1 ILE 61 0.573 -7.156 2.360 487 HG13 ILE 61 3HG1 ILE 61 1.559 -6.066 3.328 488 HG21 ILE 61 1HG2 ILE 61 3.929 -5.657 1.367 489 HG22 ILE 61 2HG2 ILE 61 3.950 -5.978 3.110 490 HG23 ILE 61 3HG2 ILE 61 4.828 -7.033 2.007 491 HD11 ILE 61 3HD1 ILE 61 0.238 -4.867 1.607 492 HD12 ILE 61 1HD1 ILE 61 1.984 -4.638 1.349 493 HD13 ILE 61 2HD1 ILE 61 1.054 -5.755 0.327 494 H THR 62 H THR 62 4.909 -8.624 -0.006 495 HA THR 62 HA THR 62 5.440 -6.264 -1.632 496 HB THR 62 HB THR 62 6.999 -8.836 -1.155 497 HG1 THR 62 1HG THR 62 7.426 -6.146 -0.339 498 HG21 THR 62 1HG2 THR 62 7.712 -7.994 -3.340 499 HG22 THR 62 2HG2 THR 62 7.834 -6.338 -2.701 500 HG23 THR 62 3HG2 THR 62 8.946 -7.605 -2.134 501 H GLU 63 H GLU 63 4.517 -9.649 -2.277 502 HA GLU 63 HA GLU 63 4.759 -9.349 -5.157 503 HB2 GLU 63 2HB GLU 63 4.636 -11.584 -3.910 504 HB3 GLU 63 3HB GLU 63 2.927 -11.217 -3.592 505 HG2 GLU 63 2HG GLU 63 2.741 -10.901 -6.186 506 HG3 GLU 63 3HG GLU 63 4.313 -11.690 -6.268 507 H ALA 64 H ALA 64 2.164 -8.890 -2.786 508 HA ALA 64 HA ALA 64 0.050 -8.423 -4.651 509 HB1 ALA 64 1HB ALA 64 0.496 -7.106 -1.943 510 HB2 ALA 64 2HB ALA 64 -1.025 -7.168 -2.857 511 HB3 ALA 64 3HB ALA 64 -0.295 -8.675 -2.238 512 H LEU 65 H LEU 65 2.475 -6.186 -3.241 513 HA LEU 65 HA LEU 65 1.531 -3.836 -4.587 514 HB2 LEU 65 2HB LEU 65 4.177 -4.650 -3.334 515 HB3 LEU 65 3HB LEU 65 3.959 -3.094 -4.126 516 HG LEU 65 HG LEU 65 2.172 -4.026 -1.849 517 HD11 LEU 65 1HD1 LEU 65 4.592 -2.156 -1.750 518 HD12 LEU 65 2HD1 LEU 65 3.518 -2.586 -0.399 519 HD13 LEU 65 3HD1 LEU 65 4.552 -3.823 -1.124 520 HD21 LEU 65 3HD2 LEU 65 2.719 -1.274 -3.052 521 HD22 LEU 65 1HD2 LEU 65 1.228 -2.215 -3.303 522 HD23 LEU 65 2HD2 LEU 65 1.624 -1.625 -1.697 523 H LYS 66 H LYS 66 3.866 -6.388 -5.464 524 HA LYS 66 HA LYS 66 4.818 -5.091 -7.848 525 HB2 LYS 66 2HB LYS 66 5.883 -7.033 -6.590 526 HB3 LYS 66 3HB LYS 66 4.702 -8.089 -7.392 527 HG2 LYS 66 2HG LYS 66 5.529 -7.339 -9.602 528 HG3 LYS 66 3HG LYS 66 6.624 -6.188 -8.808 529 HD2 LYS 66 2HD LYS 66 7.818 -8.088 -7.721 530 HD3 LYS 66 3HD LYS 66 6.708 -9.220 -8.509 531 HE2 LYS 66 2HE LYS 66 8.768 -9.142 -9.781 532 HE3 LYS 66 3HE LYS 66 7.462 -8.424 -10.735 533 HZ1 LYS 66 3HZ LYS 66 9.485 -7.117 -10.830 534 HZ2 LYS 66 1HZ LYS 66 8.287 -6.249 -10.121 535 HZ3 LYS 66 2HZ LYS 66 9.484 -6.904 -9.200 536 H LYS 67 H LYS 67 1.984 -7.018 -7.180 537 HA LYS 67 HA LYS 67 1.145 -7.001 -10.045 538 HB2 LYS 67 2HB LYS 67 0.496 -8.633 -7.577 539 HB3 LYS 67 3HB LYS 67 -0.764 -8.465 -8.793 540 HG2 LYS 67 2HG LYS 67 0.520 -9.457 -10.505 541 HG3 LYS 67 3HG LYS 67 2.008 -9.431 -9.530 542 HD2 LYS 67 2HD LYS 67 1.101 -11.027 -7.961 543 HD3 LYS 67 3HD LYS 67 -0.510 -10.945 -8.700 544 HE2 LYS 67 2HE LYS 67 0.247 -12.012 -10.713 545 HE3 LYS 67 3HE LYS 67 1.947 -11.856 -10.238 546 HZ1 LYS 67 3HZ LYS 67 -0.024 -13.515 -8.788 547 HZ2 LYS 67 1HZ LYS 67 1.097 -14.093 -9.851 548 HZ3 LYS 67 2HZ LYS 67 1.556 -13.385 -8.443 549 H SER 68 H SER 68 1.273 -4.437 -8.717 550 HA SER 68 HA SER 68 -1.116 -3.847 -7.397 551 HB2 SER 68 2HB SER 68 -0.471 -1.427 -8.312 552 HB3 SER 68 3HB SER 68 0.316 -2.167 -6.954 553 HG SER 68 HG SER 68 2.049 -2.651 -8.156 554 H THR 69 H THR 69 -2.721 -2.236 -8.095 555 HA THR 69 HA THR 69 -3.871 -3.038 -10.713 556 HB THR 69 HB THR 69 -4.922 -4.078 -8.867 557 HG1 THR 69 1HG THR 69 -6.934 -3.536 -9.246 558 HG21 THR 69 1HG2 THR 69 -6.100 -1.619 -7.619 559 HG22 THR 69 2HG2 THR 69 -5.738 -3.161 -6.903 560 HG23 THR 69 3HG2 THR 69 -4.431 -2.019 -7.147 561 H ARG 70 H ARG 70 -4.833 -0.467 -8.395 562 HA ARG 70 HA ARG 70 -4.724 1.466 -10.599 563 HB2 ARG 70 2HB ARG 70 -6.454 1.012 -8.338 564 HB3 ARG 70 3HB ARG 70 -5.663 2.557 -8.059 565 HG2 ARG 70 2HG ARG 70 -7.068 1.777 -10.644 566 HG3 ARG 70 3HG ARG 70 -7.814 2.712 -9.342 567 HD2 ARG 70 2HD ARG 70 -6.146 4.471 -9.546 568 HD3 ARG 70 3HD ARG 70 -5.252 3.587 -10.774 569 HE ARG 70 HE ARG 70 -7.542 5.244 -11.129 570 HH11 ARG 70 2HH2 ARG 70 -5.846 2.417 -12.415 571 HH12 ARG 70 1HH2 ARG 70 -6.552 2.462 -13.987 572 HH21 ARG 70 2HH1 ARG 70 -8.593 5.282 -13.236 573 HH22 ARG 70 1HH1 ARG 70 -8.148 4.152 -14.470 574 H LEU 71 H LEU 71 -2.325 0.255 -8.661 575 HA LEU 71 HA LEU 71 -1.147 2.893 -8.336 576 HB2 LEU 71 2HB LEU 71 -0.125 1.160 -6.308 577 HB3 LEU 71 3HB LEU 71 -0.922 2.701 -6.166 578 HG LEU 71 HG LEU 71 -2.305 0.012 -6.039 579 HD11 LEU 71 1HD1 LEU 71 -0.930 0.519 -4.083 580 HD12 LEU 71 2HD1 LEU 71 -1.620 2.156 -3.976 581 HD13 LEU 71 3HD1 LEU 71 -2.642 0.746 -3.675 582 HD21 LEU 71 3HD2 LEU 71 -4.037 1.912 -4.965 583 HD22 LEU 71 1HD2 LEU 71 -3.386 2.763 -6.366 584 HD23 LEU 71 2HD2 LEU 71 -4.197 1.186 -6.553 585 H GLN 72 H GLN 72 1.366 2.261 -7.917 586 HA GLN 72 HA GLN 72 2.122 0.059 -9.710 587 HB2 GLN 72 2HB GLN 72 1.445 2.247 -10.994 588 HB3 GLN 72 3HB GLN 72 2.941 2.916 -10.365 589 HG2 GLN 72 2HG GLN 72 2.688 0.373 -12.033 590 HG3 GLN 72 3HG GLN 72 3.124 1.966 -12.672 591 HE21 GLN 72 1HE2 GLN 72 4.562 -0.892 -11.944 592 HE22 GLN 72 2HE2 GLN 72 6.025 -0.318 -11.158 593 H VAL 73 H VAL 73 3.801 -0.850 -8.650 594 HA VAL 73 HA VAL 73 5.266 0.708 -6.620 595 HB VAL 73 HB VAL 73 4.157 -1.500 -6.077 596 HG11 VAL 73 1HG1 VAL 73 5.417 -3.536 -6.565 597 HG12 VAL 73 2HG1 VAL 73 4.813 -2.794 -8.073 598 HG13 VAL 73 3HG1 VAL 73 6.526 -2.661 -7.609 599 HG21 VAL 73 3HG2 VAL 73 7.130 -1.188 -5.541 600 HG22 VAL 73 1HG2 VAL 73 5.794 -0.601 -4.543 601 HG23 VAL 73 2HG2 VAL 73 6.064 -2.330 -4.702 602 H SER 74 H SER 74 7.392 1.102 -6.740 603 HA SER 74 HA SER 74 8.902 0.772 -9.164 604 HB2 SER 74 2HB SER 74 9.237 2.282 -6.919 605 HB3 SER 74 3HB SER 74 10.357 0.957 -6.574 606 HG SER 74 HG SER 74 11.105 1.471 -8.904 607 H GLU 75 H GLU 75 10.703 -0.556 -9.500 608 HA GLU 75 HA GLU 75 10.264 -3.285 -9.130 609 HB2 GLU 75 2HB GLU 75 12.859 -1.807 -9.800 610 HB3 GLU 75 3HB GLU 75 12.584 -3.538 -9.957 611 HG2 GLU 75 2HG GLU 75 12.173 -2.934 -12.103 612 HG3 GLU 75 3HG GLU 75 10.538 -2.861 -11.459 613 H ASP 76 H ASP 76 11.797 -0.967 -6.962 614 HA ASP 76 HA ASP 76 13.367 -2.955 -5.542 615 HB2 ASP 76 2HB ASP 76 13.514 -0.271 -5.628 616 HB3 ASP 76 3HB ASP 76 12.492 -0.409 -4.199 617 H GLY 77 H GLY 77 10.008 -1.962 -5.560 618 HA2 GLY 77 2HA GLY 77 8.228 -2.770 -4.294 619 HA3 GLY 77 3HA GLY 77 9.331 -3.898 -3.503 620 H LYS 78 H LYS 78 10.513 -0.702 -3.304 621 HA LYS 78 HA LYS 78 9.610 -0.470 -0.476 622 HB2 LYS 78 2HB LYS 78 11.853 0.938 -1.974 623 HB3 LYS 78 3HB LYS 78 11.540 1.060 -0.235 624 HG2 LYS 78 2HG LYS 78 12.173 -1.522 -1.677 625 HG3 LYS 78 3HG LYS 78 13.414 -0.479 -0.963 626 HD2 LYS 78 2HD LYS 78 12.851 -1.028 1.207 627 HD3 LYS 78 3HD LYS 78 11.179 -1.433 0.808 628 HE2 LYS 78 2HE LYS 78 12.688 -3.425 1.317 629 HE3 LYS 78 3HE LYS 78 11.746 -3.496 -0.183 630 HZ1 LYS 78 3HZ LYS 78 14.584 -2.690 -0.083 631 HZ2 LYS 78 1HZ LYS 78 14.025 -4.173 -0.558 632 HZ3 LYS 78 2HZ LYS 78 13.671 -2.838 -1.422 633 H MET 79 H MET 79 8.819 0.870 -3.565 634 HA MET 79 HA MET 79 7.300 2.856 -2.024 635 HB2 MET 79 2HB MET 79 9.069 3.571 -4.437 636 HB3 MET 79 3HB MET 79 7.822 4.600 -3.743 637 HG2 MET 79 2HG MET 79 9.730 5.468 -2.800 638 HG3 MET 79 3HG MET 79 9.119 4.416 -1.526 639 HE1 MET 79 3HE MET 79 12.739 3.951 -0.636 640 HE2 MET 79 1HE MET 79 11.740 5.402 -0.893 641 HE3 MET 79 2HE MET 79 11.049 3.975 -0.082 642 H VAL 80 H VAL 80 5.305 3.307 -2.896 643 HA VAL 80 HA VAL 80 4.680 2.307 -5.571 644 HB VAL 80 HB VAL 80 3.988 0.521 -4.059 645 HG11 VAL 80 1HG1 VAL 80 2.362 0.895 -2.229 646 HG12 VAL 80 2HG1 VAL 80 3.903 1.699 -1.929 647 HG13 VAL 80 3HG1 VAL 80 2.490 2.640 -2.476 648 HG21 VAL 80 3HG2 VAL 80 1.624 0.379 -4.502 649 HG22 VAL 80 1HG2 VAL 80 1.512 2.125 -4.778 650 HG23 VAL 80 2HG2 VAL 80 2.433 1.088 -5.902 651 H ARG 81 H ARG 81 2.943 3.466 -6.500 652 HA ARG 81 HA ARG 81 1.885 5.732 -4.901 653 HB2 ARG 81 2HB ARG 81 2.111 7.195 -7.069 654 HB3 ARG 81 3HB ARG 81 3.377 7.072 -5.893 655 HG2 ARG 81 2HG ARG 81 4.272 7.059 -8.133 656 HG3 ARG 81 3HG ARG 81 4.691 5.573 -7.272 657 HD2 ARG 81 2HD ARG 81 3.082 4.305 -8.438 658 HD3 ARG 81 3HD ARG 81 2.221 5.718 -9.029 659 HE ARG 81 HE ARG 81 4.576 4.444 -10.166 660 HH11 ARG 81 2HH2 ARG 81 2.755 7.468 -9.948 661 HH12 ARG 81 1HH2 ARG 81 3.272 8.100 -11.469 662 HH21 ARG 81 2HH1 ARG 81 5.326 5.278 -12.201 663 HH22 ARG 81 1HH1 ARG 81 4.796 6.819 -12.782 664 H ARG 82 H ARG 82 -0.034 6.711 -5.845 665 HA ARG 82 HA ARG 82 -1.538 4.801 -7.560 666 HB2 ARG 82 2HB ARG 82 -3.535 5.347 -6.201 667 HB3 ARG 82 3HB ARG 82 -2.281 4.481 -5.315 668 HG2 ARG 82 2HG ARG 82 -2.925 6.019 -3.737 669 HG3 ARG 82 3HG ARG 82 -1.534 6.830 -4.435 670 HD2 ARG 82 2HD ARG 82 -3.309 7.996 -5.989 671 HD3 ARG 82 3HD ARG 82 -4.483 7.402 -4.804 672 HE ARG 82 HE ARG 82 -2.500 8.682 -3.310 673 HH11 ARG 82 2HH2 ARG 82 -4.675 9.642 -5.955 674 HH12 ARG 82 1HH2 ARG 82 -4.708 11.297 -5.548 675 HH21 ARG 82 2HH1 ARG 82 -2.552 10.778 -2.706 676 HH22 ARG 82 1HH1 ARG 82 -3.446 12.011 -3.566 677 H LEU 83 H LEU 83 -3.166 5.784 -8.903 678 HA LEU 83 HA LEU 83 -2.949 8.724 -9.178 679 HB2 LEU 83 2HB LEU 83 -3.034 6.598 -11.353 680 HB3 LEU 83 3HB LEU 83 -3.351 8.305 -11.650 681 HG LEU 83 HG LEU 83 -0.810 7.815 -10.175 682 HD11 LEU 83 1HD1 LEU 83 -1.139 6.810 -13.022 683 HD12 LEU 83 2HD1 LEU 83 0.404 6.994 -12.151 684 HD13 LEU 83 3HD1 LEU 83 -0.803 5.828 -11.574 685 HD21 LEU 83 3HD2 LEU 83 -1.481 9.352 -12.717 686 HD22 LEU 83 1HD2 LEU 83 -1.493 10.015 -11.066 687 HD23 LEU 83 2HD2 LEU 83 0.029 9.457 -11.784 688 H ASP 84 H ASP 84 -4.901 9.476 -8.589 689 HA ASP 84 HA ASP 84 -6.955 9.153 -7.569 690 HB2 ASP 84 2HB ASP 84 -7.219 9.687 -10.508 691 HB3 ASP 84 3HB ASP 84 -8.515 9.925 -9.316 692 HA PRO 85 HA PRO 85 -7.933 4.778 -8.305 693 HB2 PRO 85 2HB PRO 85 -7.962 4.030 -5.677 694 HB3 PRO 85 3HB PRO 85 -6.441 4.228 -6.593 695 HG2 PRO 85 2HG PRO 85 -7.799 6.195 -4.732 696 HG3 PRO 85 3HG PRO 85 -6.082 5.668 -4.730 697 HD2 PRO 85 2HD PRO 85 -6.908 7.952 -5.949 698 HD3 PRO 85 3HD PRO 85 -5.601 6.947 -6.660 699 H LEU 86 H LEU 86 -9.970 3.701 -7.932 700 HA LEU 86 HA LEU 86 -12.134 5.493 -7.000 701 HB2 LEU 86 2HB LEU 86 -13.614 4.313 -8.595 702 HB3 LEU 86 3HB LEU 86 -12.424 5.362 -9.345 703 HG LEU 86 HG LEU 86 -11.450 2.564 -9.121 704 HD11 LEU 86 1HD1 LEU 86 -12.932 1.655 -10.854 705 HD12 LEU 86 2HD1 LEU 86 -13.835 2.057 -9.389 706 HD13 LEU 86 3HD1 LEU 86 -13.923 3.137 -10.804 707 HD21 LEU 86 3HD2 LEU 86 -10.380 4.336 -10.470 708 HD22 LEU 86 1HD2 LEU 86 -10.868 2.933 -11.443 709 HD23 LEU 86 2HD2 LEU 86 -11.836 4.424 -11.488 710 HA PRO 87 HA PRO 87 -12.197 2.161 -4.136 711 HB2 PRO 87 2HB PRO 87 -14.377 2.818 -2.590 712 HB3 PRO 87 3HB PRO 87 -12.829 3.718 -2.543 713 HG2 PRO 87 2HG PRO 87 -15.331 4.407 -4.109 714 HG3 PRO 87 3HG PRO 87 -14.339 5.484 -3.072 715 HD2 PRO 87 2HD PRO 87 -14.033 5.407 -5.781 716 HD3 PRO 87 3HD PRO 87 -12.622 5.609 -4.693 717 H GLU 88 H GLU 88 -12.911 0.152 -4.296 718 HA GLU 88 HA GLU 88 -14.141 -1.692 -4.707 719 HB2 GLU 88 2HB GLU 88 -16.129 -0.132 -3.811 720 HB3 GLU 88 3HB GLU 88 -16.671 -0.294 -5.489 721 HG2 GLU 88 2HG GLU 88 -16.532 -2.803 -5.219 722 HG3 GLU 88 3HG GLU 88 -15.991 -2.569 -3.563 723 H ASN 89 H ASN 89 -15.660 -2.537 -6.790 724 HA ASN 89 HA ASN 89 -15.260 -3.277 -8.903 725 HB2 ASN 89 2HB ASN 89 -15.068 -0.308 -9.492 726 HB3 ASN 89 3HB ASN 89 -15.357 -1.574 -10.674 727 HD21 ASN 89 1HD2 ASN 89 -17.345 -3.186 -9.718 728 HD22 ASN 89 2HD2 ASN 89 -18.732 -2.205 -9.265 729 H ILE 90 H ILE 90 -12.858 -3.379 -7.384 730 HA ILE 90 HA ILE 90 -10.930 -2.659 -9.480 731 HB ILE 90 HB ILE 90 -11.030 -0.957 -7.600 732 HG12 ILE 90 2HG1 ILE 90 -8.573 -0.921 -7.132 733 HG13 ILE 90 3HG1 ILE 90 -8.428 -2.466 -7.968 734 HG21 ILE 90 1HG2 ILE 90 -9.814 -3.160 -5.895 735 HG22 ILE 90 2HG2 ILE 90 -10.143 -1.484 -5.413 736 HG23 ILE 90 3HG2 ILE 90 -11.492 -2.583 -5.745 737 HD11 ILE 90 3HD1 ILE 90 -9.511 0.120 -9.181 738 HD12 ILE 90 1HD1 ILE 90 -7.880 -0.536 -9.434 739 HD13 ILE 90 2HD1 ILE 90 -9.280 -1.415 -10.056 740 H ASP 91 H ASP 91 -9.334 -4.227 -9.823 741 HA ASP 91 HA ASP 91 -9.544 -6.850 -8.577 742 HB2 ASP 91 2HB ASP 91 -7.386 -5.567 -10.325 743 HB3 ASP 91 3HB ASP 91 -7.463 -7.272 -9.877 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -6.678 -20.333 -5.118 2 H2 MET 1 H2 MET 1 -7.994 -20.470 -4.104 3 H3 MET 1 H3 MET 1 -7.626 -19.033 -4.709 4 HA MET 1 HA MET 1 -7.057 -19.177 -2.463 5 HB2 MET 1 2HB MET 1 -6.127 -21.745 -3.126 6 HB3 MET 1 3HB MET 1 -4.683 -20.847 -2.624 7 HG2 MET 1 2HG MET 1 -5.745 -20.151 -0.566 8 HG3 MET 1 3HG MET 1 -7.303 -20.806 -1.075 9 HE1 MET 1 1HE MET 1 -7.019 -24.594 -0.663 10 HE2 MET 1 2HE MET 1 -8.045 -23.188 -1.018 11 HE3 MET 1 3HE MET 1 -6.803 -23.705 -2.184 12 H SER 2 H SER 2 -4.039 -19.727 -4.489 13 HA SER 2 HA SER 2 -2.698 -17.631 -3.485 14 HB2 SER 2 2HB SER 2 -2.486 -19.296 -5.819 15 HB3 SER 2 3HB SER 2 -2.073 -17.641 -6.293 16 HG SER 2 HG SER 2 -0.483 -17.610 -4.768 17 H GLU 3 H GLU 3 -4.670 -17.220 -6.522 18 HA GLU 3 HA GLU 3 -4.277 -14.378 -6.491 19 HB2 GLU 3 2HB GLU 3 -6.148 -16.251 -7.965 20 HB3 GLU 3 3HB GLU 3 -6.205 -14.490 -8.191 21 HG2 GLU 3 2HG GLU 3 -3.895 -14.400 -8.888 22 HG3 GLU 3 3HG GLU 3 -3.637 -16.103 -8.490 23 H GLU 4 H GLU 4 -6.653 -16.412 -4.807 24 HA GLU 4 HA GLU 4 -8.583 -14.260 -4.479 25 HB2 GLU 4 2HB GLU 4 -8.070 -16.796 -2.869 26 HB3 GLU 4 3HB GLU 4 -9.391 -15.669 -2.549 27 HG2 GLU 4 2HG GLU 4 -10.375 -16.060 -4.730 28 HG3 GLU 4 3HG GLU 4 -8.980 -17.027 -5.245 29 H THR 5 H THR 5 -5.976 -15.616 -2.363 30 HA THR 5 HA THR 5 -6.326 -13.667 -0.328 31 HB THR 5 HB THR 5 -3.814 -15.220 -1.056 32 HG1 THR 5 1HG THR 5 -6.058 -16.063 0.463 33 HG21 THR 5 1HG2 THR 5 -3.478 -15.260 1.412 34 HG22 THR 5 2HG2 THR 5 -3.513 -13.605 0.780 35 HG23 THR 5 3HG2 THR 5 -4.934 -14.258 1.620 36 H SER 6 H SER 6 -4.026 -13.888 -3.104 37 HA SER 6 HA SER 6 -2.599 -11.538 -2.519 38 HB2 SER 6 2HB SER 6 -2.047 -13.260 -4.294 39 HB3 SER 6 3HB SER 6 -3.313 -12.536 -5.303 40 HG SER 6 HG SER 6 -2.028 -10.481 -4.805 41 H THR 7 H THR 7 -5.600 -11.954 -4.450 42 HA THR 7 HA THR 7 -5.813 -9.160 -4.997 43 HB THR 7 HB THR 7 -7.767 -11.446 -5.421 44 HG1 THR 7 1HG THR 7 -5.735 -10.189 -6.958 45 HG21 THR 7 1HG2 THR 7 -8.763 -9.973 -7.154 46 HG22 THR 7 2HG2 THR 7 -9.017 -9.362 -5.514 47 HG23 THR 7 3HG2 THR 7 -7.762 -8.626 -6.556 48 H GLN 8 H GLN 8 -6.997 -11.133 -2.323 49 HA GLN 8 HA GLN 8 -8.883 -9.180 -1.325 50 HB2 GLN 8 2HB GLN 8 -7.157 -11.366 -0.115 51 HB3 GLN 8 3HB GLN 8 -7.907 -10.193 0.941 52 HG2 GLN 8 2HG GLN 8 -9.451 -11.816 -1.129 53 HG3 GLN 8 3HG GLN 8 -9.244 -12.310 0.553 54 HE21 GLN 8 1HE2 GLN 8 -11.743 -11.506 -1.033 55 HE22 GLN 8 2HE2 GLN 8 -12.439 -10.223 -0.056 56 H ILE 9 H ILE 9 -5.362 -9.629 -1.087 57 HA ILE 9 HA ILE 9 -5.157 -7.445 0.826 58 HB ILE 9 HB ILE 9 -2.917 -8.727 -0.780 59 HG12 ILE 9 2HG1 ILE 9 -3.485 -9.434 2.112 60 HG13 ILE 9 3HG1 ILE 9 -4.378 -10.276 0.851 61 HG21 ILE 9 1HG2 ILE 9 -3.016 -7.130 1.820 62 HG22 ILE 9 2HG2 ILE 9 -1.548 -7.909 1.186 63 HG23 ILE 9 3HG2 ILE 9 -2.301 -6.589 0.284 64 HD11 ILE 9 3HD1 ILE 9 -2.421 -11.577 1.322 65 HD12 ILE 9 1HD1 ILE 9 -2.208 -10.845 -0.273 66 HD13 ILE 9 2HD1 ILE 9 -1.352 -10.169 1.129 67 H LEU 10 H LEU 10 -4.884 -7.943 -2.646 68 HA LEU 10 HA LEU 10 -3.602 -5.532 -3.347 69 HB2 LEU 10 2HB LEU 10 -4.296 -7.802 -4.636 70 HB3 LEU 10 3HB LEU 10 -5.634 -6.821 -5.187 71 HG LEU 10 HG LEU 10 -3.215 -5.286 -5.496 72 HD11 LEU 10 1HD1 LEU 10 -2.985 -8.108 -6.656 73 HD12 LEU 10 2HD1 LEU 10 -1.807 -6.779 -6.740 74 HD13 LEU 10 3HD1 LEU 10 -2.132 -7.556 -5.196 75 HD21 LEU 10 3HD2 LEU 10 -4.736 -6.874 -7.620 76 HD22 LEU 10 1HD2 LEU 10 -5.320 -5.348 -6.942 77 HD23 LEU 10 2HD2 LEU 10 -3.787 -5.396 -7.851 78 H LYS 11 H LYS 11 -7.036 -6.429 -3.163 79 HA LYS 11 HA LYS 11 -8.039 -3.790 -3.910 80 HB2 LYS 11 2HB LYS 11 -9.240 -6.321 -2.781 81 HB3 LYS 11 3HB LYS 11 -10.087 -4.802 -2.494 82 HG2 LYS 11 2HG LYS 11 -10.952 -5.873 -4.501 83 HG3 LYS 11 3HG LYS 11 -10.225 -4.313 -4.859 84 HD2 LYS 11 2HD LYS 11 -8.182 -5.447 -5.707 85 HD3 LYS 11 3HD LYS 11 -8.971 -7.014 -5.392 86 HE2 LYS 11 2HE LYS 11 -10.806 -6.431 -6.922 87 HE3 LYS 11 3HE LYS 11 -10.152 -4.801 -7.136 88 HZ1 LYS 11 3HZ LYS 11 -8.231 -5.758 -8.204 89 HZ2 LYS 11 1HZ LYS 11 -8.832 -7.288 -8.015 90 HZ3 LYS 11 2HZ LYS 11 -9.604 -6.202 -8.980 91 H GLN 12 H GLN 12 -7.237 -5.437 -0.818 92 HA GLN 12 HA GLN 12 -8.096 -3.334 0.848 93 HB2 GLN 12 2HB GLN 12 -6.476 -5.747 1.160 94 HB3 GLN 12 3HB GLN 12 -5.878 -4.434 2.146 95 HG2 GLN 12 2HG GLN 12 -7.465 -5.686 3.436 96 HG3 GLN 12 3HG GLN 12 -8.110 -4.079 3.104 97 HE21 GLN 12 1HE2 GLN 12 -8.605 -7.553 2.625 98 HE22 GLN 12 2HE2 GLN 12 -10.100 -7.406 1.760 99 H VAL 13 H VAL 13 -5.047 -3.709 -0.942 100 HA VAL 13 HA VAL 13 -3.621 -1.558 0.311 101 HB VAL 13 HB VAL 13 -3.358 -3.207 -2.199 102 HG11 VAL 13 1HG1 VAL 13 -1.693 -0.742 -1.573 103 HG12 VAL 13 2HG1 VAL 13 -1.211 -2.027 -2.706 104 HG13 VAL 13 3HG1 VAL 13 -2.656 -1.079 -3.040 105 HG21 VAL 13 3HG2 VAL 13 -1.499 -2.682 0.158 106 HG22 VAL 13 1HG2 VAL 13 -2.525 -4.115 -0.060 107 HG23 VAL 13 2HG2 VAL 13 -1.197 -3.813 -1.178 108 H GLU 14 H GLU 14 -5.552 -1.747 -2.745 109 HA GLU 14 HA GLU 14 -5.343 1.064 -3.216 110 HB2 GLU 14 2HB GLU 14 -5.920 -0.499 -4.968 111 HB3 GLU 14 3HB GLU 14 -7.395 -0.989 -4.122 112 HG2 GLU 14 2HG GLU 14 -8.320 1.297 -4.399 113 HG3 GLU 14 3HG GLU 14 -6.807 1.833 -5.129 114 H TYR 15 H TYR 15 -7.491 -0.819 -1.127 115 HA TYR 15 HA TYR 15 -9.584 1.031 -0.849 116 HB2 TYR 15 2HB TYR 15 -10.236 -0.978 -0.050 117 HB3 TYR 15 3HB TYR 15 -8.640 -1.406 0.504 118 HD1 TYR 15 HD1 TYR 15 -7.768 -0.731 2.692 119 HD2 TYR 15 HD2 TYR 15 -11.779 0.249 1.442 120 HE1 TYR 15 HE1 TYR 15 -8.206 0.216 4.900 121 HE2 TYR 15 HE2 TYR 15 -12.266 1.119 3.699 122 HH TYR 15 HH TYR 15 -11.098 2.095 5.557 123 H TYR 16 H TYR 16 -6.493 0.687 1.004 124 HA TYR 16 HA TYR 16 -7.196 2.783 2.841 125 HB2 TYR 16 2HB TYR 16 -4.581 1.533 2.053 126 HB3 TYR 16 3HB TYR 16 -4.621 2.980 3.041 127 HD1 TYR 16 HD2 TYR 16 -6.095 2.975 5.193 128 HD2 TYR 16 HD1 TYR 16 -4.865 -0.561 3.090 129 HE1 TYR 16 HE2 TYR 16 -6.207 1.689 7.315 130 HE2 TYR 16 HE1 TYR 16 -4.968 -1.859 5.223 131 HH TYR 16 HH TYR 16 -4.638 -1.238 7.767 132 H PHE 17 H PHE 17 -6.087 3.015 -0.495 133 HA PHE 17 HA PHE 17 -5.703 5.940 -0.161 134 HB2 PHE 17 2HB PHE 17 -5.108 4.094 -2.495 135 HB3 PHE 17 3HB PHE 17 -4.789 5.829 -2.459 136 HD1 PHE 17 2HD PHE 17 -3.181 6.787 -0.750 137 HD2 PHE 17 1HD PHE 17 -3.600 2.555 -1.417 138 HE1 PHE 17 2HE PHE 17 -1.123 6.376 0.566 139 HE2 PHE 17 1HE PHE 17 -1.545 2.137 -0.092 140 HZ PHE 17 HZ PHE 17 -0.338 4.046 0.947 141 H SER 18 H SER 18 -8.234 3.886 -0.800 142 HA SER 18 HA SER 18 -9.595 5.687 -2.699 143 HB2 SER 18 2HB SER 18 -9.287 3.312 -3.382 144 HB3 SER 18 3HB SER 18 -9.978 2.784 -1.848 145 HG SER 18 HG SER 18 -11.318 3.930 -4.045 146 H ASP 19 H ASP 19 -9.995 4.192 0.432 147 HA ASP 19 HA ASP 19 -12.671 5.098 0.954 148 HB2 ASP 19 2HB ASP 19 -11.484 3.044 1.709 149 HB3 ASP 19 3HB ASP 19 -10.373 4.036 2.653 150 H SER 20 H SER 20 -10.434 7.136 0.311 151 HA SER 20 HA SER 20 -9.193 8.818 1.100 152 HB2 SER 20 2HB SER 20 -11.828 9.438 1.027 153 HB3 SER 20 3HB SER 20 -11.469 9.863 2.711 154 HG SER 20 HG SER 20 -10.405 10.870 0.299 155 H ASN 21 H ASN 21 -9.027 6.394 2.859 156 HA ASN 21 HA ASN 21 -8.754 7.612 5.501 157 HB2 ASN 21 2HB ASN 21 -9.577 5.238 5.068 158 HB3 ASN 21 3HB ASN 21 -7.886 4.805 4.785 159 HD21 ASN 21 1HD2 ASN 21 -6.340 5.357 6.662 160 HD22 ASN 21 2HD2 ASN 21 -6.941 5.199 8.281 161 H PHE 22 H PHE 22 -6.621 7.136 2.680 162 HA PHE 22 HA PHE 22 -4.188 7.099 4.062 163 HB2 PHE 22 2HB PHE 22 -3.650 6.730 1.967 164 HB3 PHE 22 3HB PHE 22 -5.128 7.466 1.364 165 HD1 PHE 22 1HD PHE 22 -1.932 8.739 2.957 166 HD2 PHE 22 2HD PHE 22 -4.846 9.092 -0.202 167 HE1 PHE 22 1HE PHE 22 -0.778 10.740 2.109 168 HE2 PHE 22 2HE PHE 22 -3.727 11.104 -1.006 169 HZ PHE 22 HZ PHE 22 -1.682 11.976 0.143 170 HA PRO 23 HA PRO 23 -3.988 11.721 4.087 171 HB2 PRO 23 2HB PRO 23 -6.235 13.336 3.911 172 HB3 PRO 23 3HB PRO 23 -5.245 12.835 2.497 173 HG2 PRO 23 2HG PRO 23 -7.801 11.580 3.538 174 HG3 PRO 23 3HG PRO 23 -7.383 11.997 1.844 175 HD2 PRO 23 2HD PRO 23 -7.094 9.477 2.799 176 HD3 PRO 23 3HD PRO 23 -5.927 10.166 1.655 177 H ARG 24 H ARG 24 -6.727 10.062 5.470 178 HA ARG 24 HA ARG 24 -6.990 11.749 7.813 179 HB2 ARG 24 2HB ARG 24 -8.752 10.237 6.651 180 HB3 ARG 24 3HB ARG 24 -7.918 8.869 7.406 181 HG2 ARG 24 2HG ARG 24 -8.279 10.004 9.652 182 HG3 ARG 24 3HG ARG 24 -9.241 11.232 8.800 183 HD2 ARG 24 2HD ARG 24 -10.775 9.431 8.000 184 HD3 ARG 24 3HD ARG 24 -9.810 8.233 8.892 185 HE ARG 24 HE ARG 24 -10.597 10.333 10.643 186 HH11 ARG 24 2HH2 ARG 24 -11.932 7.532 8.963 187 HH12 ARG 24 1HH2 ARG 24 -13.253 7.293 10.048 188 HH21 ARG 24 2HH1 ARG 24 -12.331 10.025 12.153 189 HH22 ARG 24 1HH1 ARG 24 -13.465 8.744 11.929 190 H ASP 25 H ASP 25 -5.243 8.727 6.992 191 HA ASP 25 HA ASP 25 -4.659 8.307 9.829 192 HB2 ASP 25 2HB ASP 25 -5.013 6.570 7.699 193 HB3 ASP 25 3HB ASP 25 -3.261 6.556 7.903 194 H LYS 26 H LYS 26 -3.172 9.713 10.583 195 HA LYS 26 HA LYS 26 -1.054 10.733 9.050 196 HB2 LYS 26 2HB LYS 26 0.045 11.504 10.967 197 HB3 LYS 26 3HB LYS 26 -1.677 11.741 11.197 198 HG2 LYS 26 2HG LYS 26 -0.190 9.350 12.399 199 HG3 LYS 26 3HG LYS 26 -0.221 10.937 13.160 200 HD2 LYS 26 2HD LYS 26 -2.774 10.833 13.048 201 HD3 LYS 26 3HD LYS 26 -2.582 9.097 12.676 202 HE2 LYS 26 2HE LYS 26 -1.307 8.761 14.739 203 HE3 LYS 26 3HE LYS 26 -1.267 10.504 15.044 204 HZ1 LYS 26 3HZ LYS 26 -3.659 10.457 15.311 205 HZ2 LYS 26 1HZ LYS 26 -3.691 8.826 15.072 206 HZ3 LYS 26 2HZ LYS 26 -2.926 9.456 16.386 207 H PHE 27 H PHE 27 -1.317 7.470 10.182 208 HA PHE 27 HA PHE 27 1.458 6.754 10.156 209 HB2 PHE 27 2HB PHE 27 -0.505 5.381 10.965 210 HB3 PHE 27 3HB PHE 27 -1.039 5.204 9.302 211 HD1 PHE 27 2HD PHE 27 2.250 4.891 11.130 212 HD2 PHE 27 1HD PHE 27 -0.595 3.037 8.463 213 HE1 PHE 27 2HE PHE 27 3.676 2.901 11.000 214 HE2 PHE 27 1HE PHE 27 0.843 1.021 8.354 215 HZ PHE 27 HZ PHE 27 2.962 0.926 9.648 216 H LEU 28 H LEU 28 -1.071 6.835 7.612 217 HA LEU 28 HA LEU 28 0.756 6.040 5.486 218 HB2 LEU 28 2HB LEU 28 -1.982 7.356 5.522 219 HB3 LEU 28 3HB LEU 28 -1.105 7.018 4.031 220 HG LEU 28 HG LEU 28 -1.228 4.709 5.881 221 HD11 LEU 28 1HD1 LEU 28 -3.462 4.305 5.966 222 HD12 LEU 28 2HD1 LEU 28 -3.625 6.020 5.788 223 HD13 LEU 28 3HD1 LEU 28 -3.777 4.985 4.356 224 HD21 LEU 28 3HD2 LEU 28 -0.322 4.964 3.434 225 HD22 LEU 28 1HD2 LEU 28 -1.211 3.518 3.832 226 HD23 LEU 28 2HD2 LEU 28 -2.034 4.821 2.955 227 H ARG 29 H ARG 29 -0.801 9.109 6.361 228 HA ARG 29 HA ARG 29 0.393 10.727 4.499 229 HB2 ARG 29 2HB ARG 29 -1.497 11.323 6.118 230 HB3 ARG 29 3HB ARG 29 -0.232 11.662 7.309 231 HG2 ARG 29 2HG ARG 29 -0.801 13.751 6.353 232 HG3 ARG 29 3HG ARG 29 0.760 13.325 5.655 233 HD2 ARG 29 2HD ARG 29 -0.506 12.402 3.642 234 HD3 ARG 29 3HD ARG 29 -1.984 13.070 4.330 235 HE ARG 29 HE ARG 29 0.156 14.420 2.943 236 HH11 ARG 29 2HH2 ARG 29 -2.397 14.929 5.334 237 HH12 ARG 29 1HH2 ARG 29 -2.488 16.641 5.118 238 HH21 ARG 29 2HH1 ARG 29 0.041 16.708 2.611 239 HH22 ARG 29 1HH1 ARG 29 -1.068 17.673 3.512 240 H SER 30 H SER 30 1.840 9.688 7.610 241 HA SER 30 HA SER 30 4.074 11.488 7.521 242 HB2 SER 30 2HB SER 30 3.685 8.691 8.705 243 HB3 SER 30 3HB SER 30 5.216 9.587 8.829 244 HG SER 30 HG SER 30 2.710 10.198 9.916 245 H GLU 31 H GLU 31 3.590 8.192 6.074 246 HA GLU 31 HA GLU 31 6.344 8.244 5.166 247 HB2 GLU 31 2HB GLU 31 4.677 6.230 5.702 248 HB3 GLU 31 3HB GLU 31 4.265 6.402 3.997 249 HG2 GLU 31 2HG GLU 31 5.931 4.728 4.191 250 HG3 GLU 31 3HG GLU 31 6.724 6.131 3.456 251 H ALA 32 H ALA 32 3.157 8.731 3.733 252 HA ALA 32 HA ALA 32 3.828 9.189 1.046 253 HB1 ALA 32 1HB ALA 32 1.612 10.259 2.830 254 HB2 ALA 32 2HB ALA 32 1.604 10.388 1.076 255 HB3 ALA 32 3HB ALA 32 1.554 8.785 1.836 256 H ALA 33 H ALA 33 4.078 11.324 3.874 257 HA ALA 33 HA ALA 33 4.210 13.790 2.498 258 HB1 ALA 33 1HB ALA 33 5.286 14.605 4.625 259 HB2 ALA 33 2HB ALA 33 3.758 13.747 4.862 260 HB3 ALA 33 3HB ALA 33 5.290 12.927 5.218 261 H LYS 34 H LYS 34 6.592 11.222 2.428 262 HA LYS 34 HA LYS 34 8.820 13.065 2.017 263 HB2 LYS 34 2HB LYS 34 8.343 10.071 2.005 264 HB3 LYS 34 3HB LYS 34 9.675 10.705 1.081 265 HG2 LYS 34 2HG LYS 34 10.555 10.143 3.233 266 HG3 LYS 34 3HG LYS 34 10.536 11.896 3.093 267 HD2 LYS 34 2HD LYS 34 9.771 11.513 5.280 268 HD3 LYS 34 3HD LYS 34 8.291 11.816 4.389 269 HE2 LYS 34 2HE LYS 34 7.768 9.945 5.692 270 HE3 LYS 34 3HE LYS 34 8.124 9.234 4.118 271 HZ1 LYS 34 3HZ LYS 34 10.332 8.697 4.962 272 HZ2 LYS 34 1HZ LYS 34 9.969 9.387 6.427 273 HZ3 LYS 34 2HZ LYS 34 9.171 8.059 5.918 274 H ASN 35 H ASN 35 6.169 11.832 0.083 275 HA ASN 35 HA ASN 35 7.104 13.488 -2.089 276 HB2 ASN 35 2HB ASN 35 8.198 11.028 -2.229 277 HB3 ASN 35 3HB ASN 35 6.641 10.662 -2.962 278 HD21 ASN 35 1HD2 ASN 35 9.309 13.024 -2.934 279 HD22 ASN 35 2HD2 ASN 35 9.331 13.329 -4.672 280 H VAL 36 H VAL 36 4.917 13.939 -0.672 281 HA VAL 36 HA VAL 36 2.768 14.521 -0.911 282 HB VAL 36 HB VAL 36 3.453 13.937 -3.775 283 HG11 VAL 36 1HG1 VAL 36 1.185 14.707 -4.447 284 HG12 VAL 36 2HG1 VAL 36 1.254 13.070 -3.817 285 HG13 VAL 36 3HG1 VAL 36 0.630 14.384 -2.782 286 HG21 VAL 36 3HG2 VAL 36 2.348 16.362 -2.333 287 HG22 VAL 36 1HG2 VAL 36 4.071 16.052 -2.659 288 HG23 VAL 36 2HG2 VAL 36 2.944 16.286 -4.005 289 H ASP 37 H ASP 37 2.716 11.617 -3.001 290 HA ASP 37 HA ASP 37 1.992 9.831 -0.923 291 HB2 ASP 37 2HB ASP 37 -0.069 9.214 -1.885 292 HB3 ASP 37 3HB ASP 37 -0.171 10.840 -1.241 293 H ASN 38 H ASN 38 4.092 10.223 -2.992 294 HA ASN 38 HA ASN 38 3.681 7.839 -4.699 295 HB2 ASN 38 2HB ASN 38 5.762 10.060 -4.794 296 HB3 ASN 38 3HB ASN 38 5.773 8.669 -5.855 297 HD21 ASN 38 1HD2 ASN 38 5.647 11.604 -6.408 298 HD22 ASN 38 2HD2 ASN 38 4.208 11.747 -7.433 299 H TYR 39 H TYR 39 5.142 8.719 -1.729 300 HA TYR 39 HA TYR 39 7.171 6.554 -2.007 301 HB2 TYR 39 2HB TYR 39 7.420 9.298 -0.792 302 HB3 TYR 39 3HB TYR 39 8.197 7.945 0.001 303 HD1 TYR 39 HD2 TYR 39 7.880 8.705 -3.705 304 HD2 TYR 39 HD1 TYR 39 10.485 8.101 -0.316 305 HE1 TYR 39 HE2 TYR 39 9.840 8.823 -5.193 306 HE2 TYR 39 HE1 TYR 39 12.446 8.185 -1.810 307 HH TYR 39 HH TYR 39 13.184 8.352 -4.039 308 H ILE 40 H ILE 40 6.183 4.873 -1.029 309 HA ILE 40 HA ILE 40 5.143 5.304 1.695 310 HB ILE 40 HB ILE 40 3.632 3.703 -0.393 311 HG12 ILE 40 2HG1 ILE 40 2.494 6.238 0.774 312 HG13 ILE 40 3HG1 ILE 40 3.483 6.342 -0.679 313 HG21 ILE 40 1HG2 ILE 40 3.432 2.946 1.960 314 HG22 ILE 40 2HG2 ILE 40 2.975 4.584 2.458 315 HG23 ILE 40 3HG2 ILE 40 1.903 3.636 1.410 316 HD11 ILE 40 3HD1 ILE 40 0.933 6.069 -0.986 317 HD12 ILE 40 1HD1 ILE 40 2.027 5.153 -2.014 318 HD13 ILE 40 2HD1 ILE 40 1.242 4.339 -0.670 319 H SER 41 H SER 41 6.845 4.213 2.594 320 HA SER 41 HA SER 41 8.334 2.104 1.773 321 HB2 SER 41 2HB SER 41 8.612 3.546 3.797 322 HB3 SER 41 3HB SER 41 7.331 2.591 4.585 323 HG SER 41 HG SER 41 9.404 1.859 5.080 324 H ILE 42 H ILE 42 8.048 -0.040 1.492 325 HA ILE 42 HA ILE 42 5.629 -1.455 2.081 326 HB ILE 42 HB ILE 42 7.013 -3.496 2.015 327 HG12 ILE 42 2HG1 ILE 42 9.440 -2.280 0.928 328 HG13 ILE 42 3HG1 ILE 42 9.199 -1.779 2.606 329 HG21 ILE 42 1HG2 ILE 42 5.977 -2.569 0.048 330 HG22 ILE 42 2HG2 ILE 42 7.386 -1.555 -0.289 331 HG23 ILE 42 3HG2 ILE 42 7.516 -3.331 -0.364 332 HD11 ILE 42 3HD1 ILE 42 8.945 -4.130 3.305 333 HD12 ILE 42 1HD1 ILE 42 9.170 -4.660 1.619 334 HD13 ILE 42 2HD1 ILE 42 10.500 -3.864 2.489 335 H ASP 43 H ASP 43 7.999 -0.146 4.300 336 HA ASP 43 HA ASP 43 7.538 -2.072 6.393 337 HB2 ASP 43 2HB ASP 43 9.372 -0.327 6.346 338 HB3 ASP 43 3HB ASP 43 8.140 0.906 6.670 339 H VAL 44 H VAL 44 5.799 0.977 5.394 340 HA VAL 44 HA VAL 44 4.004 0.949 7.603 341 HB VAL 44 HB VAL 44 4.430 2.410 5.009 342 HG11 VAL 44 1HG1 VAL 44 1.717 2.378 6.329 343 HG12 VAL 44 2HG1 VAL 44 2.288 3.587 5.151 344 HG13 VAL 44 3HG1 VAL 44 2.151 1.902 4.663 345 HG21 VAL 44 3HG2 VAL 44 3.888 4.347 6.617 346 HG22 VAL 44 1HG2 VAL 44 3.947 3.151 7.907 347 HG23 VAL 44 2HG2 VAL 44 5.383 3.436 6.903 348 H ILE 45 H ILE 45 3.921 -0.210 4.237 349 HA ILE 45 HA ILE 45 1.150 -0.985 4.420 350 HB ILE 45 HB ILE 45 3.177 -2.000 2.453 351 HG12 ILE 45 2HG1 ILE 45 1.546 0.535 1.947 352 HG13 ILE 45 3HG1 ILE 45 3.117 0.653 2.701 353 HG21 ILE 45 1HG2 ILE 45 0.929 -3.026 2.307 354 HG22 ILE 45 2HG2 ILE 45 0.173 -1.425 2.247 355 HG23 ILE 45 3HG2 ILE 45 1.157 -1.991 0.896 356 HD11 ILE 45 3HD1 ILE 45 4.151 -0.530 0.727 357 HD12 ILE 45 1HD1 ILE 45 2.574 -0.385 -0.077 358 HD13 ILE 45 2HD1 ILE 45 3.459 1.058 0.394 359 H ALA 46 H ALA 46 4.216 -2.693 4.935 360 HA ALA 46 HA ALA 46 2.973 -5.293 5.220 361 HB1 ALA 46 1HB ALA 46 5.395 -5.083 4.697 362 HB2 ALA 46 2HB ALA 46 5.663 -4.225 6.235 363 HB3 ALA 46 3HB ALA 46 5.156 -5.929 6.239 364 H SER 47 H SER 47 3.682 -2.487 7.253 365 HA SER 47 HA SER 47 2.877 -3.954 9.695 366 HB2 SER 47 2HB SER 47 4.947 -2.535 9.633 367 HB3 SER 47 3HB SER 47 3.912 -1.112 9.394 368 HG SER 47 HG SER 47 2.879 -1.665 11.366 369 H PHE 48 H PHE 48 1.045 -2.838 7.327 370 HA PHE 48 HA PHE 48 -0.466 -0.804 8.492 371 HB2 PHE 48 2HB PHE 48 -0.350 -2.139 6.065 372 HB3 PHE 48 3HB PHE 48 -1.954 -2.577 6.610 373 HD1 PHE 48 1HD PHE 48 -2.295 0.296 8.085 374 HD2 PHE 48 2HD PHE 48 -1.210 -1.132 4.153 375 HE1 PHE 48 1HE PHE 48 -3.139 2.376 7.095 376 HE2 PHE 48 2HE PHE 48 -2.064 0.976 3.156 377 HZ PHE 48 HZ PHE 48 -3.058 2.687 4.615 378 H ASN 49 H ASN 49 -0.286 -3.400 10.181 379 HA ASN 49 HA ASN 49 -1.361 -4.957 11.234 380 HB2 ASN 49 2HB ASN 49 -2.593 -2.514 11.951 381 HB3 ASN 49 3HB ASN 49 -3.943 -3.622 11.707 382 HD21 ASN 49 1HD2 ASN 49 -3.975 -2.949 14.200 383 HD22 ASN 49 2HD2 ASN 49 -3.104 -4.085 15.218 384 H ARG 50 H ARG 50 -4.200 -3.631 9.492 385 HA ARG 50 HA ARG 50 -5.466 -6.056 9.000 386 HB2 ARG 50 2HB ARG 50 -6.372 -3.732 8.643 387 HB3 ARG 50 3HB ARG 50 -5.409 -3.616 7.162 388 HG2 ARG 50 2HG ARG 50 -6.660 -5.520 6.189 389 HG3 ARG 50 3HG ARG 50 -7.578 -5.692 7.702 390 HD2 ARG 50 2HD ARG 50 -8.435 -3.361 7.407 391 HD3 ARG 50 3HD ARG 50 -7.558 -3.258 5.867 392 HE ARG 50 HE ARG 50 -9.287 -5.562 5.967 393 HH11 ARG 50 2HH2 ARG 50 -9.395 -2.048 5.505 394 HH12 ARG 50 1HH2 ARG 50 -10.736 -2.069 4.435 395 HH21 ARG 50 2HH1 ARG 50 -11.128 -5.611 4.531 396 HH22 ARG 50 1HH1 ARG 50 -11.734 -4.144 3.875 397 H MET 51 H MET 51 -2.876 -4.547 7.067 398 HA MET 51 HA MET 51 -2.932 -6.512 4.948 399 HB2 MET 51 2HB MET 51 -0.950 -4.452 5.907 400 HB3 MET 51 3HB MET 51 -0.382 -5.730 4.838 401 HG2 MET 51 2HG MET 51 -1.136 -3.676 3.623 402 HG3 MET 51 3HG MET 51 -1.904 -5.186 3.115 403 HE1 MET 51 3HE MET 51 -2.885 -2.279 2.368 404 HE2 MET 51 1HE MET 51 -3.610 -3.809 1.795 405 HE3 MET 51 2HE MET 51 -4.637 -2.552 2.504 406 H LYS 52 H LYS 52 -0.972 -6.209 7.975 407 HA LYS 52 HA LYS 52 0.607 -8.484 7.347 408 HB2 LYS 52 2HB LYS 52 1.003 -6.616 9.167 409 HB3 LYS 52 3HB LYS 52 -0.078 -7.548 10.181 410 HG2 LYS 52 2HG LYS 52 2.153 -8.248 10.744 411 HG3 LYS 52 3HG LYS 52 1.466 -9.562 9.787 412 HD2 LYS 52 2HD LYS 52 2.623 -8.431 7.742 413 HD3 LYS 52 3HD LYS 52 3.503 -7.464 8.916 414 HE2 LYS 52 2HE LYS 52 3.402 -10.479 9.206 415 HE3 LYS 52 3HE LYS 52 4.429 -9.776 7.953 416 HZ1 LYS 52 3HZ LYS 52 5.585 -8.526 9.614 417 HZ2 LYS 52 1HZ LYS 52 4.612 -9.094 10.815 418 HZ3 LYS 52 2HZ LYS 52 5.619 -10.121 10.014 419 H THR 53 H THR 53 -2.549 -8.155 8.989 420 HA THR 53 HA THR 53 -2.630 -10.911 9.790 421 HB THR 53 HB THR 53 -5.050 -10.270 10.254 422 HG1 THR 53 1HG THR 53 -5.264 -8.601 8.684 423 HG21 THR 53 1HG2 THR 53 -2.859 -8.381 11.241 424 HG22 THR 53 2HG2 THR 53 -4.407 -8.690 12.050 425 HG23 THR 53 3HG2 THR 53 -3.203 -9.994 11.901 426 H ILE 54 H ILE 54 -4.060 -9.065 7.003 427 HA ILE 54 HA ILE 54 -5.542 -11.413 6.162 428 HB ILE 54 HB ILE 54 -4.894 -8.807 4.747 429 HG12 ILE 54 2HG1 ILE 54 -6.392 -8.763 6.841 430 HG13 ILE 54 3HG1 ILE 54 -6.940 -7.949 5.374 431 HG21 ILE 54 1HG2 ILE 54 -5.354 -10.446 3.018 432 HG22 ILE 54 2HG2 ILE 54 -6.789 -11.008 3.863 433 HG23 ILE 54 3HG2 ILE 54 -6.737 -9.364 3.171 434 HD11 ILE 54 3HD1 ILE 54 -8.441 -9.749 4.857 435 HD12 ILE 54 1HD1 ILE 54 -7.759 -10.756 6.163 436 HD13 ILE 54 2HD1 ILE 54 -8.691 -9.288 6.550 437 H SER 55 H SER 55 -2.338 -10.171 5.556 438 HA SER 55 HA SER 55 -1.875 -12.068 3.333 439 HB2 SER 55 2HB SER 55 0.344 -11.127 3.216 440 HB3 SER 55 3HB SER 55 -0.756 -9.757 3.474 441 HG SER 55 HG SER 55 -0.058 -9.510 5.447 442 H THR 56 H THR 56 -1.042 -11.673 6.716 443 HA THR 56 HA THR 56 0.058 -12.926 8.188 444 HB THR 56 HB THR 56 -1.177 -15.082 6.460 445 HG1 THR 56 1HG THR 56 -2.479 -13.638 7.710 446 HG21 THR 56 1HG2 THR 56 0.249 -15.420 9.142 447 HG22 THR 56 2HG2 THR 56 -0.921 -16.583 8.480 448 HG23 THR 56 3HG2 THR 56 0.598 -16.288 7.624 449 H ASP 57 H ASP 57 1.386 -12.307 5.177 450 HA ASP 57 HA ASP 57 3.936 -13.435 5.947 451 HB2 ASP 57 2HB ASP 57 2.761 -15.349 4.828 452 HB3 ASP 57 3HB ASP 57 2.544 -14.340 3.391 453 H LEU 58 H LEU 58 5.512 -12.263 5.006 454 HA LEU 58 HA LEU 58 4.774 -9.687 3.811 455 HB2 LEU 58 2HB LEU 58 7.561 -10.822 4.318 456 HB3 LEU 58 3HB LEU 58 7.162 -9.183 3.813 457 HG LEU 58 HG LEU 58 5.605 -9.382 6.067 458 HD11 LEU 58 1HD1 LEU 58 6.668 -11.654 6.567 459 HD12 LEU 58 2HD1 LEU 58 8.212 -10.811 6.747 460 HD13 LEU 58 3HD1 LEU 58 6.870 -10.444 7.844 461 HD21 LEU 58 3HD2 LEU 58 8.519 -8.509 5.919 462 HD22 LEU 58 1HD2 LEU 58 7.101 -7.517 5.522 463 HD23 LEU 58 2HD2 LEU 58 7.367 -8.049 7.192 464 H GLN 59 H GLN 59 5.512 -12.810 2.684 465 HA GLN 59 HA GLN 59 6.619 -12.125 0.107 466 HB2 GLN 59 2HB GLN 59 6.723 -14.379 1.211 467 HB3 GLN 59 3HB GLN 59 4.984 -14.543 0.974 468 HG2 GLN 59 2HG GLN 59 5.238 -15.228 -1.156 469 HG3 GLN 59 3HG GLN 59 6.218 -13.821 -1.563 470 HE21 GLN 59 1HE2 GLN 59 8.613 -13.966 -0.576 471 HE22 GLN 59 2HE2 GLN 59 9.343 -15.546 -0.835 472 H LEU 60 H LEU 60 3.311 -13.020 1.256 473 HA LEU 60 HA LEU 60 2.056 -12.333 -1.233 474 HB2 LEU 60 2HB LEU 60 1.268 -13.301 1.456 475 HB3 LEU 60 3HB LEU 60 0.118 -12.168 0.796 476 HG LEU 60 HG LEU 60 -0.365 -14.565 0.297 477 HD11 LEU 60 1HD1 LEU 60 -1.378 -12.840 -1.058 478 HD12 LEU 60 2HD1 LEU 60 0.047 -12.750 -2.116 479 HD13 LEU 60 3HD1 LEU 60 -0.953 -14.217 -2.084 480 HD21 LEU 60 3HD2 LEU 60 0.877 -15.803 -1.332 481 HD22 LEU 60 1HD2 LEU 60 1.941 -14.437 -1.691 482 HD23 LEU 60 2HD2 LEU 60 2.032 -15.245 -0.108 483 H ILE 61 H ILE 61 2.888 -10.437 1.649 484 HA ILE 61 HA ILE 61 1.185 -8.243 0.862 485 HB ILE 61 HB ILE 61 2.595 -8.893 3.135 486 HG12 ILE 61 2HG1 ILE 61 0.490 -7.675 2.963 487 HG13 ILE 61 3HG1 ILE 61 1.610 -6.933 4.101 488 HG21 ILE 61 1HG2 ILE 61 4.735 -7.935 2.374 489 HG22 ILE 61 2HG2 ILE 61 3.959 -6.377 2.087 490 HG23 ILE 61 3HG2 ILE 61 4.053 -7.036 3.729 491 HD11 ILE 61 3HD1 ILE 61 0.399 -5.279 2.677 492 HD12 ILE 61 1HD1 ILE 61 2.150 -5.156 2.503 493 HD13 ILE 61 2HD1 ILE 61 1.168 -5.945 1.242 494 H THR 62 H THR 62 4.597 -9.080 0.248 495 HA THR 62 HA THR 62 5.140 -6.535 -1.059 496 HB THR 62 HB THR 62 6.632 -9.189 -1.005 497 HG1 THR 62 1HG THR 62 7.098 -6.662 0.220 498 HG21 THR 62 1HG2 THR 62 8.589 -7.890 -1.835 499 HG22 THR 62 2HG2 THR 62 7.313 -8.019 -3.053 500 HG23 THR 62 3HG2 THR 62 7.524 -6.500 -2.149 501 H GLU 63 H GLU 63 4.166 -9.804 -2.143 502 HA GLU 63 HA GLU 63 4.326 -9.105 -4.931 503 HB2 GLU 63 2HB GLU 63 4.385 -11.440 -4.071 504 HB3 GLU 63 3HB GLU 63 2.667 -11.303 -3.623 505 HG2 GLU 63 2HG GLU 63 2.082 -10.831 -5.975 506 HG3 GLU 63 3HG GLU 63 3.789 -10.848 -6.430 507 H ALA 64 H ALA 64 1.813 -8.821 -2.437 508 HA ALA 64 HA ALA 64 -0.380 -8.286 -4.138 509 HB1 ALA 64 1HB ALA 64 -1.339 -7.000 -2.255 510 HB2 ALA 64 2HB ALA 64 -0.661 -8.547 -1.701 511 HB3 ALA 64 3HB ALA 64 0.232 -7.024 -1.431 512 H LEU 65 H LEU 65 2.094 -6.083 -2.779 513 HA LEU 65 HA LEU 65 1.078 -3.731 -4.104 514 HB2 LEU 65 2HB LEU 65 3.738 -4.565 -2.902 515 HB3 LEU 65 3HB LEU 65 3.599 -3.037 -3.762 516 HG LEU 65 HG LEU 65 1.655 -3.746 -1.549 517 HD11 LEU 65 1HD1 LEU 65 3.115 -2.612 0.017 518 HD12 LEU 65 2HD1 LEU 65 4.034 -3.895 -0.751 519 HD13 LEU 65 3HD1 LEU 65 4.264 -2.200 -1.282 520 HD21 LEU 65 3HD2 LEU 65 1.221 -1.813 -3.214 521 HD22 LEU 65 1HD2 LEU 65 1.241 -1.371 -1.512 522 HD23 LEU 65 2HD2 LEU 65 2.659 -1.031 -2.537 523 H LYS 66 H LYS 66 3.545 -6.169 -4.947 524 HA LYS 66 HA LYS 66 4.467 -4.791 -7.243 525 HB2 LYS 66 2HB LYS 66 5.520 -6.778 -5.953 526 HB3 LYS 66 3HB LYS 66 4.539 -7.817 -7.008 527 HG2 LYS 66 2HG LYS 66 5.598 -6.706 -8.995 528 HG3 LYS 66 3HG LYS 66 6.558 -5.697 -7.892 529 HD2 LYS 66 2HD LYS 66 7.511 -7.831 -6.909 530 HD3 LYS 66 3HD LYS 66 6.696 -8.728 -8.201 531 HE2 LYS 66 2HE LYS 66 8.804 -6.538 -8.515 532 HE3 LYS 66 3HE LYS 66 9.052 -8.270 -8.774 533 HZ1 LYS 66 3HZ LYS 66 7.269 -6.532 -10.361 534 HZ2 LYS 66 1HZ LYS 66 8.729 -7.112 -10.843 535 HZ3 LYS 66 2HZ LYS 66 7.473 -8.149 -10.601 536 H LYS 67 H LYS 67 1.588 -6.738 -6.859 537 HA LYS 67 HA LYS 67 1.086 -6.747 -9.800 538 HB2 LYS 67 2HB LYS 67 -0.150 -8.130 -7.383 539 HB3 LYS 67 3HB LYS 67 -0.941 -8.145 -8.964 540 HG2 LYS 67 2HG LYS 67 0.916 -9.321 -9.968 541 HG3 LYS 67 3HG LYS 67 1.845 -9.242 -8.452 542 HD2 LYS 67 2HD LYS 67 0.182 -10.562 -7.278 543 HD3 LYS 67 3HD LYS 67 -0.918 -10.542 -8.656 544 HE2 LYS 67 2HE LYS 67 1.872 -11.757 -8.791 545 HE3 LYS 67 3HE LYS 67 0.485 -12.670 -8.233 546 HZ1 LYS 67 3HZ LYS 67 -0.587 -12.306 -10.338 547 HZ2 LYS 67 1HZ LYS 67 0.685 -11.409 -10.890 548 HZ3 LYS 67 2HZ LYS 67 0.880 -13.011 -10.554 549 H SER 68 H SER 68 1.038 -4.118 -8.230 550 HA SER 68 HA SER 68 -1.371 -3.607 -7.114 551 HB2 SER 68 2HB SER 68 -0.826 -1.163 -7.713 552 HB3 SER 68 3HB SER 68 0.302 -2.031 -6.714 553 HG SER 68 HG SER 68 0.499 -1.281 -9.403 554 H THR 69 H THR 69 -3.267 -2.682 -7.619 555 HA THR 69 HA THR 69 -4.209 -3.043 -10.370 556 HB THR 69 HB THR 69 -5.605 -4.067 -8.880 557 HG1 THR 69 1HG THR 69 -7.165 -1.817 -8.684 558 HG21 THR 69 1HG2 THR 69 -4.832 -3.210 -6.686 559 HG22 THR 69 2HG2 THR 69 -5.657 -1.686 -6.991 560 HG23 THR 69 3HG2 THR 69 -6.587 -3.167 -6.832 561 H ARG 70 H ARG 70 -4.795 -0.382 -7.969 562 HA ARG 70 HA ARG 70 -4.813 1.479 -10.277 563 HB2 ARG 70 2HB ARG 70 -6.835 0.987 -8.766 564 HB3 ARG 70 3HB ARG 70 -5.971 1.903 -7.520 565 HG2 ARG 70 2HG ARG 70 -6.980 3.729 -8.338 566 HG3 ARG 70 3HG ARG 70 -5.949 3.597 -9.767 567 HD2 ARG 70 2HD ARG 70 -7.653 2.141 -10.852 568 HD3 ARG 70 3HD ARG 70 -8.664 2.250 -9.400 569 HE ARG 70 HE ARG 70 -8.130 4.886 -10.317 570 HH11 ARG 70 2HH2 ARG 70 -10.142 2.051 -11.050 571 HH12 ARG 70 1HH2 ARG 70 -11.225 2.909 -12.072 572 HH21 ARG 70 2HH1 ARG 70 -9.891 6.071 -11.213 573 HH22 ARG 70 1HH1 ARG 70 -11.193 5.295 -12.008 574 H LEU 71 H LEU 71 -2.419 0.477 -8.240 575 HA LEU 71 HA LEU 71 -1.392 3.201 -8.017 576 HB2 LEU 71 2HB LEU 71 -0.325 1.223 -6.088 577 HB3 LEU 71 3HB LEU 71 -0.650 2.925 -5.923 578 HG LEU 71 HG LEU 71 -2.796 0.792 -5.721 579 HD11 LEU 71 1HD1 LEU 71 -2.605 1.194 -3.280 580 HD12 LEU 71 2HD1 LEU 71 -1.108 0.517 -3.962 581 HD13 LEU 71 3HD1 LEU 71 -1.205 2.244 -3.562 582 HD21 LEU 71 3HD2 LEU 71 -3.548 3.229 -6.196 583 HD22 LEU 71 1HD2 LEU 71 -4.191 2.476 -4.740 584 HD23 LEU 71 2HD2 LEU 71 -2.850 3.634 -4.625 585 H GLN 72 H GLN 72 1.164 2.884 -7.948 586 HA GLN 72 HA GLN 72 1.984 0.681 -9.726 587 HB2 GLN 72 2HB GLN 72 1.840 3.608 -10.355 588 HB3 GLN 72 3HB GLN 72 3.384 2.844 -10.740 589 HG2 GLN 72 2HG GLN 72 0.678 1.809 -11.676 590 HG3 GLN 72 3HG GLN 72 1.787 2.799 -12.641 591 HE21 GLN 72 1HE2 GLN 72 1.352 0.593 -13.982 592 HE22 GLN 72 2HE2 GLN 72 2.612 -0.602 -13.703 593 H VAL 73 H VAL 73 3.807 -0.183 -9.041 594 HA VAL 73 HA VAL 73 5.065 0.966 -6.632 595 HB VAL 73 HB VAL 73 5.165 -1.795 -7.921 596 HG11 VAL 73 1HG1 VAL 73 6.142 -2.518 -5.732 597 HG12 VAL 73 2HG1 VAL 73 7.217 -1.471 -6.646 598 HG13 VAL 73 3HG1 VAL 73 6.307 -0.810 -5.266 599 HG21 VAL 73 3HG2 VAL 73 2.969 -1.277 -6.928 600 HG22 VAL 73 1HG2 VAL 73 3.865 -2.416 -5.919 601 HG23 VAL 73 2HG2 VAL 73 3.765 -0.729 -5.431 602 H SER 74 H SER 74 7.180 1.568 -6.584 603 HA SER 74 HA SER 74 8.503 2.111 -9.104 604 HB2 SER 74 2HB SER 74 8.714 3.517 -6.991 605 HB3 SER 74 3HB SER 74 9.711 2.206 -6.320 606 HG SER 74 HG SER 74 10.262 4.023 -8.368 607 H GLU 75 H GLU 75 10.804 1.363 -9.485 608 HA GLU 75 HA GLU 75 10.786 -1.502 -9.630 609 HB2 GLU 75 2HB GLU 75 11.932 0.306 -11.127 610 HB3 GLU 75 3HB GLU 75 13.275 0.190 -9.978 611 HG2 GLU 75 2HG GLU 75 13.455 -2.236 -10.423 612 HG3 GLU 75 3HG GLU 75 12.011 -2.178 -11.444 613 H ASP 76 H ASP 76 11.701 0.725 -7.132 614 HA ASP 76 HA ASP 76 13.616 -0.897 -5.741 615 HB2 ASP 76 2HB ASP 76 12.385 1.670 -5.448 616 HB3 ASP 76 3HB ASP 76 11.947 0.772 -4.009 617 H GLY 77 H GLY 77 10.052 -0.827 -5.923 618 HA2 GLY 77 2HA GLY 77 8.426 -2.001 -4.721 619 HA3 GLY 77 3HA GLY 77 9.658 -3.244 -4.426 620 H LYS 78 H LYS 78 10.170 0.061 -3.462 621 HA LYS 78 HA LYS 78 9.320 -0.456 -0.636 622 HB2 LYS 78 2HB LYS 78 11.642 1.277 -1.542 623 HB3 LYS 78 3HB LYS 78 11.182 0.862 0.116 624 HG2 LYS 78 2HG LYS 78 11.712 -1.568 -0.426 625 HG3 LYS 78 3HG LYS 78 12.269 -1.024 -2.019 626 HD2 LYS 78 2HD LYS 78 14.264 -1.065 -0.842 627 HD3 LYS 78 3HD LYS 78 13.777 0.633 -0.713 628 HE2 LYS 78 2HE LYS 78 12.553 -0.205 1.491 629 HE3 LYS 78 3HE LYS 78 13.691 -1.557 1.367 630 HZ1 LYS 78 3HZ LYS 78 14.373 1.309 1.521 631 HZ2 LYS 78 1HZ LYS 78 14.625 0.184 2.699 632 HZ3 LYS 78 2HZ LYS 78 15.475 0.114 1.284 633 H MET 79 H MET 79 8.539 1.210 -3.452 634 HA MET 79 HA MET 79 6.960 3.020 -1.822 635 HB2 MET 79 2HB MET 79 8.813 3.969 -4.095 636 HB3 MET 79 3HB MET 79 7.488 4.914 -3.437 637 HG2 MET 79 2HG MET 79 9.251 5.800 -2.288 638 HG3 MET 79 3HG MET 79 8.666 4.601 -1.138 639 HE1 MET 79 3HE MET 79 12.265 4.243 -0.126 640 HE2 MET 79 1HE MET 79 11.128 5.609 -0.231 641 HE3 MET 79 2HE MET 79 10.562 4.023 0.345 642 H VAL 80 H VAL 80 5.171 3.956 -3.079 643 HA VAL 80 HA VAL 80 4.595 2.755 -5.639 644 HB VAL 80 HB VAL 80 3.897 1.012 -4.050 645 HG11 VAL 80 1HG1 VAL 80 3.505 2.319 -2.039 646 HG12 VAL 80 2HG1 VAL 80 2.078 3.085 -2.793 647 HG13 VAL 80 3HG1 VAL 80 2.081 1.355 -2.433 648 HG21 VAL 80 3HG2 VAL 80 1.476 2.453 -5.173 649 HG22 VAL 80 1HG2 VAL 80 2.505 1.294 -6.049 650 HG23 VAL 80 2HG2 VAL 80 1.552 0.753 -4.670 651 H ARG 81 H ARG 81 2.746 3.893 -6.604 652 HA ARG 81 HA ARG 81 1.971 6.401 -5.183 653 HB2 ARG 81 2HB ARG 81 2.102 7.578 -7.378 654 HB3 ARG 81 3HB ARG 81 3.658 7.190 -6.650 655 HG2 ARG 81 2HG ARG 81 2.685 5.178 -8.624 656 HG3 ARG 81 3HG ARG 81 2.960 6.791 -9.258 657 HD2 ARG 81 2HD ARG 81 5.252 6.453 -7.728 658 HD3 ARG 81 3HD ARG 81 4.923 4.801 -8.223 659 HE ARG 81 HE ARG 81 5.594 5.343 -10.331 660 HH11 ARG 81 2HH2 ARG 81 4.627 8.340 -8.685 661 HH12 ARG 81 1HH2 ARG 81 5.256 9.398 -9.887 662 HH21 ARG 81 2HH1 ARG 81 6.386 6.763 -12.007 663 HH22 ARG 81 1HH1 ARG 81 6.242 8.474 -11.844 664 H ARG 82 H ARG 82 -0.087 7.141 -5.668 665 HA ARG 82 HA ARG 82 -1.839 5.179 -7.053 666 HB2 ARG 82 2HB ARG 82 -3.696 6.535 -6.173 667 HB3 ARG 82 3HB ARG 82 -2.604 5.952 -4.935 668 HG2 ARG 82 2HG ARG 82 -2.782 8.004 -4.125 669 HG3 ARG 82 3HG ARG 82 -1.481 8.399 -5.231 670 HD2 ARG 82 2HD ARG 82 -2.839 9.617 -6.633 671 HD3 ARG 82 3HD ARG 82 -4.275 8.639 -6.310 672 HE ARG 82 HE ARG 82 -3.158 10.804 -4.638 673 HH11 ARG 82 2HH2 ARG 82 -5.352 8.077 -4.720 674 HH12 ARG 82 1HH2 ARG 82 -6.377 8.592 -3.433 675 HH21 ARG 82 2HH1 ARG 82 -4.682 11.756 -3.219 676 HH22 ARG 82 1HH1 ARG 82 -6.063 10.870 -2.635 677 H LEU 83 H LEU 83 -3.629 6.373 -8.490 678 HA LEU 83 HA LEU 83 -2.105 7.791 -10.573 679 HB2 LEU 83 2HB LEU 83 -4.995 6.816 -10.513 680 HB3 LEU 83 3HB LEU 83 -4.155 7.452 -11.925 681 HG LEU 83 HG LEU 83 -3.406 4.893 -10.475 682 HD11 LEU 83 1HD1 LEU 83 -4.775 5.274 -13.167 683 HD12 LEU 83 2HD1 LEU 83 -4.384 3.731 -12.373 684 HD13 LEU 83 3HD1 LEU 83 -5.604 4.809 -11.672 685 HD21 LEU 83 3HD2 LEU 83 -2.388 6.060 -13.095 686 HD22 LEU 83 1HD2 LEU 83 -1.456 5.885 -11.586 687 HD23 LEU 83 2HD2 LEU 83 -2.003 4.447 -12.456 688 H ASP 84 H ASP 84 -3.041 9.804 -11.490 689 HA ASP 84 HA ASP 84 -3.740 11.781 -9.632 690 HB2 ASP 84 2HB ASP 84 -3.773 11.532 -12.615 691 HB3 ASP 84 3HB ASP 84 -4.772 12.811 -11.920 692 HA PRO 85 HA PRO 85 -8.340 11.396 -10.600 693 HB2 PRO 85 2HB PRO 85 -9.384 9.336 -12.074 694 HB3 PRO 85 3HB PRO 85 -8.750 10.839 -12.820 695 HG2 PRO 85 2HG PRO 85 -7.288 8.205 -12.429 696 HG3 PRO 85 3HG PRO 85 -7.438 9.170 -13.937 697 HD2 PRO 85 2HD PRO 85 -5.258 9.376 -12.352 698 HD3 PRO 85 3HD PRO 85 -5.956 10.831 -13.122 699 H LEU 86 H LEU 86 -9.927 10.303 -9.357 700 HA LEU 86 HA LEU 86 -8.808 8.914 -7.185 701 HB2 LEU 86 2HB LEU 86 -11.632 9.506 -8.114 702 HB3 LEU 86 3HB LEU 86 -11.391 8.527 -6.677 703 HG LEU 86 HG LEU 86 -10.048 11.242 -6.966 704 HD11 LEU 86 1HD1 LEU 86 -12.790 10.627 -5.785 705 HD12 LEU 86 2HD1 LEU 86 -11.925 12.174 -5.643 706 HD13 LEU 86 3HD1 LEU 86 -12.458 11.604 -7.232 707 HD21 LEU 86 3HD2 LEU 86 -9.180 9.772 -5.168 708 HD22 LEU 86 1HD2 LEU 86 -10.062 11.141 -4.483 709 HD23 LEU 86 2HD2 LEU 86 -10.833 9.545 -4.547 710 HA PRO 87 HA PRO 87 -9.094 4.635 -8.245 711 HB2 PRO 87 2HB PRO 87 -9.734 3.487 -5.820 712 HB3 PRO 87 3HB PRO 87 -8.102 4.087 -6.258 713 HG2 PRO 87 2HG PRO 87 -10.249 5.464 -4.654 714 HG3 PRO 87 3HG PRO 87 -8.466 5.388 -4.359 715 HD2 PRO 87 2HD PRO 87 -9.746 7.532 -5.485 716 HD3 PRO 87 3HD PRO 87 -8.067 7.079 -5.918 717 H GLU 88 H GLU 88 -10.601 2.845 -8.464 718 HA GLU 88 HA GLU 88 -13.444 3.226 -8.117 719 HB2 GLU 88 2HB GLU 88 -12.089 4.636 -10.189 720 HB3 GLU 88 3HB GLU 88 -12.975 3.332 -10.988 721 HG2 GLU 88 2HG GLU 88 -15.062 4.211 -10.164 722 HG3 GLU 88 3HG GLU 88 -14.218 5.370 -9.115 723 H ASN 89 H ASN 89 -14.523 1.401 -9.258 724 HA ASN 89 HA ASN 89 -14.708 -0.845 -9.563 725 HB2 ASN 89 2HB ASN 89 -12.022 -0.749 -10.965 726 HB3 ASN 89 3HB ASN 89 -13.250 -1.987 -11.106 727 HD21 ASN 89 1HD2 ASN 89 -15.362 -1.355 -12.196 728 HD22 ASN 89 2HD2 ASN 89 -15.295 -0.037 -13.356 729 H ILE 90 H ILE 90 -13.916 -0.214 -7.048 730 HA ILE 90 HA ILE 90 -12.047 -2.381 -6.511 731 HB ILE 90 HB ILE 90 -10.733 -0.364 -6.507 732 HG12 ILE 90 2HG1 ILE 90 -10.462 -2.195 -4.719 733 HG13 ILE 90 3HG1 ILE 90 -9.556 -0.711 -4.596 734 HG21 ILE 90 1HG2 ILE 90 -12.644 0.813 -4.455 735 HG22 ILE 90 2HG2 ILE 90 -11.074 1.494 -4.935 736 HG23 ILE 90 3HG2 ILE 90 -12.378 1.371 -6.120 737 HD11 ILE 90 3HD1 ILE 90 -12.079 -1.211 -2.987 738 HD12 ILE 90 1HD1 ILE 90 -10.431 -1.504 -2.422 739 HD13 ILE 90 2HD1 ILE 90 -10.943 0.141 -2.828 740 H ASP 91 H ASP 91 -12.608 -3.524 -4.686 741 HA ASP 91 HA ASP 91 -13.965 -4.561 -3.269 742 HB2 ASP 91 2HB ASP 91 -13.812 -2.381 -1.951 743 HB3 ASP 91 3HB ASP 91 -15.403 -1.982 -2.604 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -0.985 -18.630 -4.084 2 H2 MET 1 H2 MET 1 -0.446 -19.479 -2.777 3 H3 MET 1 H3 MET 1 -1.386 -20.231 -3.912 4 HA MET 1 HA MET 1 -2.790 -19.753 -2.107 5 HB2 MET 1 2HB MET 1 -2.940 -17.496 -1.194 6 HB3 MET 1 3HB MET 1 -1.320 -18.133 -1.030 7 HG2 MET 1 2HG MET 1 -2.083 -16.331 -3.362 8 HG3 MET 1 3HG MET 1 -1.527 -15.704 -1.819 9 HE1 MET 1 1HE MET 1 0.418 -14.450 -3.696 10 HE2 MET 1 2HE MET 1 1.425 -15.513 -4.686 11 HE3 MET 1 3HE MET 1 -0.327 -15.461 -4.957 12 H SER 2 H SER 2 -2.552 -19.221 -5.372 13 HA SER 2 HA SER 2 -3.793 -18.562 -6.989 14 HB2 SER 2 2HB SER 2 -6.100 -18.778 -5.026 15 HB3 SER 2 3HB SER 2 -6.198 -18.797 -6.800 16 HG SER 2 HG SER 2 -6.118 -20.908 -5.948 17 H GLU 3 H GLU 3 -5.171 -16.870 -7.976 18 HA GLU 3 HA GLU 3 -4.224 -14.374 -6.963 19 HB2 GLU 3 2HB GLU 3 -4.986 -15.334 -9.441 20 HB3 GLU 3 3HB GLU 3 -6.314 -14.234 -9.066 21 HG2 GLU 3 2HG GLU 3 -4.955 -12.361 -9.190 22 HG3 GLU 3 3HG GLU 3 -3.573 -13.173 -8.464 23 H GLU 4 H GLU 4 -7.015 -16.227 -6.147 24 HA GLU 4 HA GLU 4 -8.677 -14.109 -5.190 25 HB2 GLU 4 2HB GLU 4 -8.131 -16.917 -4.136 26 HB3 GLU 4 3HB GLU 4 -9.302 -15.806 -3.408 27 HG2 GLU 4 2HG GLU 4 -10.492 -15.624 -5.592 28 HG3 GLU 4 3HG GLU 4 -9.374 -16.814 -6.284 29 H THR 5 H THR 5 -5.782 -15.777 -3.598 30 HA THR 5 HA THR 5 -6.342 -14.139 -1.248 31 HB THR 5 HB THR 5 -3.885 -15.746 -1.954 32 HG1 THR 5 1HG THR 5 -5.578 -17.133 -1.808 33 HG21 THR 5 1HG2 THR 5 -3.580 -15.780 0.539 34 HG22 THR 5 2HG2 THR 5 -3.450 -14.141 -0.125 35 HG23 THR 5 3HG2 THR 5 -4.944 -14.655 0.690 36 H SER 6 H SER 6 -4.016 -14.037 -3.994 37 HA SER 6 HA SER 6 -2.523 -11.806 -3.088 38 HB2 SER 6 2HB SER 6 -2.068 -13.337 -5.072 39 HB3 SER 6 3HB SER 6 -3.228 -12.365 -5.995 40 HG SER 6 HG SER 6 -0.817 -11.837 -6.000 41 H THR 7 H THR 7 -5.512 -11.898 -5.055 42 HA THR 7 HA THR 7 -5.939 -9.117 -5.166 43 HB THR 7 HB THR 7 -7.928 -11.356 -5.540 44 HG1 THR 7 1HG THR 7 -6.498 -11.467 -7.148 45 HG21 THR 7 1HG2 THR 7 -9.150 -9.262 -5.137 46 HG22 THR 7 2HG2 THR 7 -8.063 -8.387 -6.242 47 HG23 THR 7 3HG2 THR 7 -9.166 -9.628 -6.869 48 H GLN 8 H GLN 8 -6.856 -11.452 -2.609 49 HA GLN 8 HA GLN 8 -8.634 -9.626 -1.296 50 HB2 GLN 8 2HB GLN 8 -6.949 -11.968 -0.339 51 HB3 GLN 8 3HB GLN 8 -7.663 -10.863 0.811 52 HG2 GLN 8 2HG GLN 8 -9.908 -11.224 -0.331 53 HG3 GLN 8 3HG GLN 8 -9.154 -12.529 -1.254 54 HE21 GLN 8 1HE2 GLN 8 -9.723 -14.531 -0.326 55 HE22 GLN 8 2HE2 GLN 8 -9.838 -14.763 1.413 56 H ILE 9 H ILE 9 -5.101 -9.810 -1.408 57 HA ILE 9 HA ILE 9 -4.953 -7.758 0.709 58 HB ILE 9 HB ILE 9 -2.617 -8.427 -1.067 59 HG12 ILE 9 2HG1 ILE 9 -3.829 -10.237 1.044 60 HG13 ILE 9 3HG1 ILE 9 -3.281 -10.631 -0.591 61 HG21 ILE 9 1HG2 ILE 9 -2.664 -6.603 0.709 62 HG22 ILE 9 2HG2 ILE 9 -2.915 -7.879 1.917 63 HG23 ILE 9 3HG2 ILE 9 -1.407 -7.810 0.957 64 HD11 ILE 9 3HD1 ILE 9 -1.500 -9.897 1.744 65 HD12 ILE 9 1HD1 ILE 9 -1.734 -11.497 1.048 66 HD13 ILE 9 2HD1 ILE 9 -0.946 -10.215 0.082 67 H LEU 10 H LEU 10 -4.802 -8.102 -2.819 68 HA LEU 10 HA LEU 10 -3.735 -5.612 -3.425 69 HB2 LEU 10 2HB LEU 10 -4.420 -7.828 -4.806 70 HB3 LEU 10 3HB LEU 10 -5.767 -6.803 -5.288 71 HG LEU 10 HG LEU 10 -3.405 -5.219 -5.554 72 HD11 LEU 10 1HD1 LEU 10 -1.892 -6.650 -6.805 73 HD12 LEU 10 2HD1 LEU 10 -2.206 -7.421 -5.251 74 HD13 LEU 10 3HD1 LEU 10 -3.011 -8.023 -6.714 75 HD21 LEU 10 3HD2 LEU 10 -5.465 -5.353 -7.039 76 HD22 LEU 10 1HD2 LEU 10 -3.923 -5.315 -7.920 77 HD23 LEU 10 2HD2 LEU 10 -4.808 -6.841 -7.732 78 H LYS 11 H LYS 11 -7.090 -6.593 -3.194 79 HA LYS 11 HA LYS 11 -8.241 -4.020 -3.738 80 HB2 LYS 11 2HB LYS 11 -10.324 -5.005 -3.244 81 HB3 LYS 11 3HB LYS 11 -9.344 -6.305 -3.936 82 HG2 LYS 11 2HG LYS 11 -8.737 -6.729 -1.361 83 HG3 LYS 11 3HG LYS 11 -10.287 -5.914 -1.096 84 HD2 LYS 11 2HD LYS 11 -9.743 -8.349 -2.829 85 HD3 LYS 11 3HD LYS 11 -10.478 -8.368 -1.213 86 HE2 LYS 11 2HE LYS 11 -12.389 -7.031 -2.081 87 HE3 LYS 11 3HE LYS 11 -11.649 -7.027 -3.692 88 HZ1 LYS 11 3HZ LYS 11 -11.824 -9.431 -3.709 89 HZ2 LYS 11 1HZ LYS 11 -12.530 -9.432 -2.221 90 HZ3 LYS 11 2HZ LYS 11 -13.305 -8.749 -3.502 91 H GLN 12 H GLN 12 -6.812 -5.474 -0.952 92 HA GLN 12 HA GLN 12 -8.002 -3.610 0.946 93 HB2 GLN 12 2HB GLN 12 -6.973 -6.108 1.200 94 HB3 GLN 12 3HB GLN 12 -5.568 -5.185 1.622 95 HG2 GLN 12 2HG GLN 12 -6.603 -5.395 3.706 96 HG3 GLN 12 3HG GLN 12 -7.402 -3.906 3.189 97 HE21 GLN 12 1HE2 GLN 12 -9.413 -4.856 1.383 98 HE22 GLN 12 2HE2 GLN 12 -10.411 -5.993 2.258 99 H VAL 13 H VAL 13 -5.064 -3.820 -1.024 100 HA VAL 13 HA VAL 13 -3.653 -1.684 0.329 101 HB VAL 13 HB VAL 13 -3.385 -3.195 -2.282 102 HG11 VAL 13 1HG1 VAL 13 -1.220 -1.991 -2.643 103 HG12 VAL 13 2HG1 VAL 13 -2.634 -0.958 -2.868 104 HG13 VAL 13 3HG1 VAL 13 -1.680 -0.841 -1.366 105 HG21 VAL 13 3HG2 VAL 13 -1.556 -2.906 0.139 106 HG22 VAL 13 1HG2 VAL 13 -2.649 -4.271 -0.163 107 HG23 VAL 13 2HG2 VAL 13 -1.291 -3.970 -1.260 108 H GLU 14 H GLU 14 -5.579 -1.967 -2.745 109 HA GLU 14 HA GLU 14 -5.508 0.815 -3.213 110 HB2 GLU 14 2HB GLU 14 -7.147 0.490 -4.880 111 HB3 GLU 14 3HB GLU 14 -6.228 -1.023 -4.853 112 HG2 GLU 14 2HG GLU 14 -8.009 -1.923 -3.309 113 HG3 GLU 14 3HG GLU 14 -8.968 -0.470 -3.612 114 H TYR 15 H TYR 15 -7.592 -1.099 -1.044 115 HA TYR 15 HA TYR 15 -9.681 0.727 -0.751 116 HB2 TYR 15 2HB TYR 15 -10.197 -1.338 0.085 117 HB3 TYR 15 3HB TYR 15 -8.576 -1.621 0.691 118 HD1 TYR 15 HD2 TYR 15 -11.777 0.076 1.492 119 HD2 TYR 15 HD1 TYR 15 -7.848 -1.092 2.852 120 HE1 TYR 15 HE2 TYR 15 -12.341 0.824 3.771 121 HE2 TYR 15 HE1 TYR 15 -8.387 -0.356 5.101 122 HH TYR 15 HH TYR 15 -11.173 1.665 5.718 123 H TYR 16 H TYR 16 -6.558 0.488 1.062 124 HA TYR 16 HA TYR 16 -7.210 2.482 2.971 125 HB2 TYR 16 2HB TYR 16 -4.537 1.650 1.827 126 HB3 TYR 16 3HB TYR 16 -4.716 2.816 3.123 127 HD1 TYR 16 HD1 TYR 16 -6.287 2.011 5.137 128 HD2 TYR 16 HD2 TYR 16 -4.131 -0.562 2.432 129 HE1 TYR 16 HE1 TYR 16 -6.070 0.342 6.914 130 HE2 TYR 16 HE2 TYR 16 -3.865 -2.221 4.236 131 HH TYR 16 HH TYR 16 -4.566 -1.582 7.555 132 H PHE 17 H PHE 17 -6.467 2.930 -0.406 133 HA PHE 17 HA PHE 17 -6.137 5.846 0.011 134 HB2 PHE 17 2HB PHE 17 -5.749 4.111 -2.452 135 HB3 PHE 17 3HB PHE 17 -5.485 5.852 -2.379 136 HD1 PHE 17 1HD PHE 17 -4.361 2.604 -0.882 137 HD2 PHE 17 2HD PHE 17 -3.352 6.729 -1.629 138 HE1 PHE 17 1HE PHE 17 -2.107 2.212 0.047 139 HE2 PHE 17 2HE PHE 17 -1.088 6.331 -0.751 140 HZ PHE 17 HZ PHE 17 -0.467 4.057 0.128 141 H SER 18 H SER 18 -8.285 3.447 -1.391 142 HA SER 18 HA SER 18 -9.978 5.261 -2.811 143 HB2 SER 18 2HB SER 18 -9.579 2.889 -3.401 144 HB3 SER 18 3HB SER 18 -10.463 2.415 -1.937 145 HG SER 18 HG SER 18 -12.209 3.819 -2.848 146 H ASP 19 H ASP 19 -9.827 4.202 0.477 147 HA ASP 19 HA ASP 19 -12.618 4.736 1.104 148 HB2 ASP 19 2HB ASP 19 -11.114 2.889 1.953 149 HB3 ASP 19 3HB ASP 19 -10.169 4.107 2.812 150 H SER 20 H SER 20 -10.317 6.778 0.295 151 HA SER 20 HA SER 20 -9.360 8.723 0.954 152 HB2 SER 20 2HB SER 20 -12.093 9.175 2.207 153 HB3 SER 20 3HB SER 20 -10.870 10.431 1.897 154 HG SER 20 HG SER 20 -12.060 8.722 -0.033 155 H ASN 21 H ASN 21 -8.967 6.364 2.682 156 HA ASN 21 HA ASN 21 -8.934 7.442 5.383 157 HB2 ASN 21 2HB ASN 21 -9.296 5.043 4.990 158 HB3 ASN 21 3HB ASN 21 -7.664 4.898 4.315 159 HD21 ASN 21 1HD2 ASN 21 -6.088 4.282 5.822 160 HD22 ASN 21 2HD2 ASN 21 -6.242 4.575 7.547 161 H PHE 22 H PHE 22 -6.571 7.263 2.651 162 HA PHE 22 HA PHE 22 -4.272 7.545 4.187 163 HB2 PHE 22 2HB PHE 22 -3.469 7.251 2.153 164 HB3 PHE 22 3HB PHE 22 -4.993 7.712 1.411 165 HD1 PHE 22 2HD PHE 22 -1.884 9.240 2.903 166 HD2 PHE 22 1HD PHE 22 -5.121 9.606 0.080 167 HE1 PHE 22 2HE PHE 22 -0.920 11.353 2.056 168 HE2 PHE 22 1HE PHE 22 -4.235 11.740 -0.679 169 HZ PHE 22 HZ PHE 22 -2.088 12.644 0.285 170 HA PRO 23 HA PRO 23 -4.386 12.151 4.163 171 HB2 PRO 23 2HB PRO 23 -6.726 13.613 3.999 172 HB3 PRO 23 3HB PRO 23 -5.755 13.140 2.564 173 HG2 PRO 23 2HG PRO 23 -8.191 11.745 3.713 174 HG3 PRO 23 3HG PRO 23 -7.864 12.173 2.002 175 HD2 PRO 23 2HD PRO 23 -7.375 9.693 2.992 176 HD3 PRO 23 3HD PRO 23 -6.329 10.422 1.761 177 H ARG 24 H ARG 24 -6.976 10.241 5.537 178 HA ARG 24 HA ARG 24 -7.342 11.936 7.880 179 HB2 ARG 24 2HB ARG 24 -9.165 10.715 6.668 180 HB3 ARG 24 3HB ARG 24 -8.466 9.174 7.170 181 HG2 ARG 24 2HG ARG 24 -9.059 11.250 9.273 182 HG3 ARG 24 3HG ARG 24 -10.426 10.404 8.544 183 HD2 ARG 24 2HD ARG 24 -9.839 8.337 9.378 184 HD3 ARG 24 3HD ARG 24 -8.125 8.738 9.556 185 HE ARG 24 HE ARG 24 -9.192 10.458 11.292 186 HH11 ARG 24 2HH2 ARG 24 -9.591 6.977 10.902 187 HH12 ARG 24 1HH2 ARG 24 -9.953 6.655 12.560 188 HH21 ARG 24 2HH1 ARG 24 -9.658 10.078 13.524 189 HH22 ARG 24 1HH1 ARG 24 -9.959 8.479 14.098 190 H ASP 25 H ASP 25 -5.470 9.067 6.983 191 HA ASP 25 HA ASP 25 -4.922 8.503 9.821 192 HB2 ASP 25 2HB ASP 25 -5.334 6.839 7.560 193 HB3 ASP 25 3HB ASP 25 -3.612 6.717 7.895 194 H LYS 26 H LYS 26 -3.447 9.893 10.494 195 HA LYS 26 HA LYS 26 -1.426 11.145 8.986 196 HB2 LYS 26 2HB LYS 26 -1.513 10.460 11.943 197 HB3 LYS 26 3HB LYS 26 -0.320 11.553 11.224 198 HG2 LYS 26 2HG LYS 26 -1.848 13.249 10.854 199 HG3 LYS 26 3HG LYS 26 -3.203 12.148 10.605 200 HD2 LYS 26 2HD LYS 26 -3.528 13.372 12.675 201 HD3 LYS 26 3HD LYS 26 -3.303 11.645 13.005 202 HE2 LYS 26 2HE LYS 26 -0.865 12.121 13.485 203 HE3 LYS 26 3HE LYS 26 -1.207 13.848 13.286 204 HZ1 LYS 26 3HZ LYS 26 -2.781 13.663 15.117 205 HZ2 LYS 26 1HZ LYS 26 -2.428 12.065 15.301 206 HZ3 LYS 26 2HZ LYS 26 -1.276 13.200 15.592 207 H PHE 27 H PHE 27 -1.475 7.888 10.212 208 HA PHE 27 HA PHE 27 1.273 7.183 10.073 209 HB2 PHE 27 2HB PHE 27 -0.616 5.847 11.003 210 HB3 PHE 27 3HB PHE 27 -1.244 5.601 9.381 211 HD1 PHE 27 1HD PHE 27 2.093 5.331 11.121 212 HD2 PHE 27 2HD PHE 27 -0.771 3.457 8.490 213 HE1 PHE 27 1HE PHE 27 3.540 3.359 10.959 214 HE2 PHE 27 2HE PHE 27 0.685 1.451 8.350 215 HZ PHE 27 HZ PHE 27 2.827 1.380 9.604 216 H LEU 28 H LEU 28 -1.318 6.984 7.583 217 HA LEU 28 HA LEU 28 0.411 6.147 5.423 218 HB2 LEU 28 2HB LEU 28 -2.330 7.424 5.629 219 HB3 LEU 28 3HB LEU 28 -1.543 7.285 4.065 220 HG LEU 28 HG LEU 28 -1.659 4.847 5.817 221 HD11 LEU 28 1HD1 LEU 28 -3.997 5.942 5.691 222 HD12 LEU 28 2HD1 LEU 28 -3.986 5.465 3.972 223 HD13 LEU 28 3HD1 LEU 28 -3.874 4.262 5.258 224 HD21 LEU 28 3HD2 LEU 28 -0.719 5.443 3.204 225 HD22 LEU 28 1HD2 LEU 28 -0.887 3.856 3.920 226 HD23 LEU 28 2HD2 LEU 28 -2.215 4.533 2.943 227 H ARG 29 H ARG 29 -1.035 9.264 6.288 228 HA ARG 29 HA ARG 29 0.130 10.768 4.289 229 HB2 ARG 29 2HB ARG 29 -1.681 11.334 6.224 230 HB3 ARG 29 3HB ARG 29 -0.270 12.177 6.897 231 HG2 ARG 29 2HG ARG 29 0.043 13.246 4.603 232 HG3 ARG 29 3HG ARG 29 -1.488 12.488 4.118 233 HD2 ARG 29 2HD ARG 29 -2.667 13.722 5.913 234 HD3 ARG 29 3HD ARG 29 -1.126 14.490 6.374 235 HE ARG 29 HE ARG 29 -1.658 14.826 3.578 236 HH11 ARG 29 2HH2 ARG 29 -2.666 16.046 6.719 237 HH12 ARG 29 1HH2 ARG 29 -3.035 17.648 6.179 238 HH21 ARG 29 2HH1 ARG 29 -2.176 16.945 2.791 239 HH22 ARG 29 1HH1 ARG 29 -2.775 18.154 3.865 240 H SER 30 H SER 30 1.632 9.771 7.353 241 HA SER 30 HA SER 30 3.797 11.644 7.266 242 HB2 SER 30 2HB SER 30 3.128 10.239 9.263 243 HB3 SER 30 3HB SER 30 3.762 8.811 8.420 244 HG SER 30 HG SER 30 5.803 9.879 8.384 245 H GLU 31 H GLU 31 3.292 8.370 5.801 246 HA GLU 31 HA GLU 31 6.079 8.461 4.901 247 HB2 GLU 31 2HB GLU 31 4.762 6.379 5.615 248 HB3 GLU 31 3HB GLU 31 4.019 6.428 4.011 249 HG2 GLU 31 2HG GLU 31 5.994 4.924 4.087 250 HG3 GLU 31 3HG GLU 31 6.248 6.282 2.972 251 H ALA 32 H ALA 32 2.823 8.920 3.543 252 HA ALA 32 HA ALA 32 3.493 9.232 0.827 253 HB1 ALA 32 1HB ALA 32 1.395 10.670 2.507 254 HB2 ALA 32 2HB ALA 32 1.369 10.513 0.747 255 HB3 ALA 32 3HB ALA 32 1.192 9.069 1.749 256 H ALA 33 H ALA 33 3.682 11.508 3.558 257 HA ALA 33 HA ALA 33 4.251 13.872 2.158 258 HB1 ALA 33 1HB ALA 33 3.556 13.886 4.480 259 HB2 ALA 33 2HB ALA 33 5.009 12.987 4.974 260 HB3 ALA 33 3HB ALA 33 5.148 14.649 4.360 261 H LYS 34 H LYS 34 6.320 11.120 2.207 262 HA LYS 34 HA LYS 34 8.789 12.716 2.124 263 HB2 LYS 34 2HB LYS 34 8.082 9.842 2.172 264 HB3 LYS 34 3HB LYS 34 9.238 10.198 0.912 265 HG2 LYS 34 2HG LYS 34 10.438 9.621 2.922 266 HG3 LYS 34 3HG LYS 34 10.711 11.321 2.546 267 HD2 LYS 34 2HD LYS 34 10.380 11.150 4.920 268 HD3 LYS 34 3HD LYS 34 8.962 11.942 4.246 269 HE2 LYS 34 2HE LYS 34 8.216 10.372 5.892 270 HE3 LYS 34 3HE LYS 34 7.732 9.750 4.315 271 HZ1 LYS 34 3HZ LYS 34 8.736 8.111 5.869 272 HZ2 LYS 34 1HZ LYS 34 9.397 8.111 4.422 273 HZ3 LYS 34 2HZ LYS 34 10.199 8.839 5.685 274 H ASN 35 H ASN 35 6.306 11.603 -0.162 275 HA ASN 35 HA ASN 35 7.462 13.477 -2.064 276 HB2 ASN 35 2HB ASN 35 8.575 11.111 -2.403 277 HB3 ASN 35 3HB ASN 35 7.039 10.705 -3.172 278 HD21 ASN 35 1HD2 ASN 35 6.349 12.720 -4.813 279 HD22 ASN 35 2HD2 ASN 35 7.706 13.227 -5.814 280 H VAL 36 H VAL 36 5.233 13.990 -0.858 281 HA VAL 36 HA VAL 36 3.089 14.591 -1.126 282 HB VAL 36 HB VAL 36 3.829 14.034 -3.973 283 HG11 VAL 36 1HG1 VAL 36 1.666 13.103 -4.135 284 HG12 VAL 36 2HG1 VAL 36 0.960 14.358 -3.079 285 HG13 VAL 36 3HG1 VAL 36 1.553 14.758 -4.710 286 HG21 VAL 36 3HG2 VAL 36 4.322 16.172 -2.817 287 HG22 VAL 36 1HG2 VAL 36 3.231 16.375 -4.200 288 HG23 VAL 36 2HG2 VAL 36 2.578 16.406 -2.550 289 H ASP 37 H ASP 37 3.145 11.745 -3.188 290 HA ASP 37 HA ASP 37 2.066 9.936 -1.239 291 HB2 ASP 37 2HB ASP 37 0.087 11.517 -2.011 292 HB3 ASP 37 3HB ASP 37 0.124 10.573 -3.490 293 H ASN 38 H ASN 38 4.280 10.142 -3.040 294 HA ASN 38 HA ASN 38 3.741 8.071 -5.107 295 HB2 ASN 38 2HB ASN 38 5.889 10.209 -4.989 296 HB3 ASN 38 3HB ASN 38 5.867 8.882 -6.136 297 HD21 ASN 38 1HD2 ASN 38 4.144 11.840 -5.137 298 HD22 ASN 38 2HD2 ASN 38 3.242 11.971 -6.648 299 H TYR 39 H TYR 39 5.446 8.748 -2.126 300 HA TYR 39 HA TYR 39 7.180 6.363 -2.497 301 HB2 TYR 39 2HB TYR 39 7.720 9.112 -1.363 302 HB3 TYR 39 3HB TYR 39 8.503 7.729 -0.651 303 HD1 TYR 39 HD1 TYR 39 7.905 7.815 -4.356 304 HD2 TYR 39 HD2 TYR 39 10.720 8.508 -1.161 305 HE1 TYR 39 HE1 TYR 39 9.727 7.875 -5.991 306 HE2 TYR 39 HE2 TYR 39 12.558 8.570 -2.808 307 HH TYR 39 HH TYR 39 13.131 8.438 -5.086 308 H ILE 40 H ILE 40 6.411 4.785 -1.223 309 HA ILE 40 HA ILE 40 5.294 5.415 1.403 310 HB ILE 40 HB ILE 40 3.743 3.661 -0.501 311 HG12 ILE 40 2HG1 ILE 40 3.198 6.592 0.131 312 HG13 ILE 40 3HG1 ILE 40 3.696 5.948 -1.436 313 HG21 ILE 40 1HG2 ILE 40 2.004 3.836 1.204 314 HG22 ILE 40 2HG2 ILE 40 3.508 3.318 1.969 315 HG23 ILE 40 3HG2 ILE 40 2.977 5.008 2.121 316 HD11 ILE 40 3HD1 ILE 40 1.566 4.524 -1.420 317 HD12 ILE 40 1HD1 ILE 40 1.071 5.564 -0.045 318 HD13 ILE 40 2HD1 ILE 40 1.391 6.271 -1.634 319 H SER 41 H SER 41 6.950 4.239 2.495 320 HA SER 41 HA SER 41 8.247 2.026 1.466 321 HB2 SER 41 2HB SER 41 9.071 3.352 3.376 322 HB3 SER 41 3HB SER 41 7.817 2.597 4.402 323 HG SER 41 HG SER 41 9.835 1.386 4.431 324 H ILE 42 H ILE 42 7.957 -0.124 1.452 325 HA ILE 42 HA ILE 42 5.436 -1.319 2.128 326 HB ILE 42 HB ILE 42 6.529 -3.455 1.912 327 HG12 ILE 42 2HG1 ILE 42 9.183 -2.460 1.060 328 HG13 ILE 42 3HG1 ILE 42 8.894 -2.244 2.782 329 HG21 ILE 42 1HG2 ILE 42 7.086 -3.283 -0.429 330 HG22 ILE 42 2HG2 ILE 42 5.787 -2.139 -0.035 331 HG23 ILE 42 3HG2 ILE 42 7.427 -1.543 -0.277 332 HD11 ILE 42 3HD1 ILE 42 8.299 -4.618 3.027 333 HD12 ILE 42 1HD1 ILE 42 8.540 -4.872 1.281 334 HD13 ILE 42 2HD1 ILE 42 9.917 -4.438 2.320 335 H ASP 43 H ASP 43 7.936 -0.158 4.229 336 HA ASP 43 HA ASP 43 7.512 -2.030 6.378 337 HB2 ASP 43 2HB ASP 43 8.245 0.932 6.439 338 HB3 ASP 43 3HB ASP 43 8.297 -0.158 7.831 339 H VAL 44 H VAL 44 5.830 0.987 5.342 340 HA VAL 44 HA VAL 44 4.133 1.146 7.651 341 HB VAL 44 HB VAL 44 4.617 2.555 5.074 342 HG11 VAL 44 1HG1 VAL 44 2.324 2.113 4.586 343 HG12 VAL 44 2HG1 VAL 44 1.817 2.601 6.228 344 HG13 VAL 44 3HG1 VAL 44 2.495 3.793 5.093 345 HG21 VAL 44 3HG2 VAL 44 3.692 3.499 7.806 346 HG22 VAL 44 1HG2 VAL 44 5.391 3.315 7.299 347 HG23 VAL 44 2HG2 VAL 44 4.334 4.492 6.503 348 H ILE 45 H ILE 45 3.862 -0.110 4.344 349 HA ILE 45 HA ILE 45 1.087 -0.807 4.655 350 HB ILE 45 HB ILE 45 3.023 -1.938 2.640 351 HG12 ILE 45 2HG1 ILE 45 1.456 0.678 2.285 352 HG13 ILE 45 3HG1 ILE 45 3.150 0.660 2.744 353 HG21 ILE 45 1HG2 ILE 45 1.082 -2.201 1.202 354 HG22 ILE 45 2HG2 ILE 45 0.598 -2.794 2.794 355 HG23 ILE 45 3HG2 ILE 45 0.080 -1.194 2.263 356 HD11 ILE 45 3HD1 ILE 45 3.769 -0.525 0.702 357 HD12 ILE 45 1HD1 ILE 45 2.067 -0.445 0.159 358 HD13 ILE 45 2HD1 ILE 45 3.004 1.040 0.389 359 H ALA 46 H ALA 46 4.128 -2.603 5.026 360 HA ALA 46 HA ALA 46 2.829 -5.121 5.551 361 HB1 ALA 46 1HB ALA 46 5.239 -4.989 4.955 362 HB2 ALA 46 2HB ALA 46 5.567 -4.101 6.461 363 HB3 ALA 46 3HB ALA 46 5.008 -5.789 6.522 364 H SER 47 H SER 47 3.564 -2.219 7.434 365 HA SER 47 HA SER 47 2.831 -3.549 9.959 366 HB2 SER 47 2HB SER 47 4.808 -2.039 9.766 367 HB3 SER 47 3HB SER 47 3.706 -0.689 9.428 368 HG SER 47 HG SER 47 2.712 -1.198 11.477 369 H PHE 48 H PHE 48 0.912 -2.512 7.525 370 HA PHE 48 HA PHE 48 -0.783 -0.634 8.764 371 HB2 PHE 48 2HB PHE 48 -0.681 -2.219 6.346 372 HB3 PHE 48 3HB PHE 48 -2.305 -2.265 6.935 373 HD1 PHE 48 2HD PHE 48 -2.509 0.594 8.050 374 HD2 PHE 48 1HD PHE 48 -1.024 -1.131 4.382 375 HE1 PHE 48 2HE PHE 48 -3.161 2.631 6.817 376 HE2 PHE 48 1HE PHE 48 -1.631 0.935 3.159 377 HZ PHE 48 HZ PHE 48 -2.761 2.748 4.341 378 H ASN 49 H ASN 49 -0.335 -3.367 10.321 379 HA ASN 49 HA ASN 49 -1.388 -4.892 11.529 380 HB2 ASN 49 2HB ASN 49 -2.951 -2.420 11.889 381 HB3 ASN 49 3HB ASN 49 -4.004 -3.818 12.035 382 HD21 ASN 49 1HD2 ASN 49 -3.242 -1.977 14.201 383 HD22 ASN 49 2HD2 ASN 49 -2.440 -3.014 15.368 384 H ARG 50 H ARG 50 -4.307 -3.706 9.820 385 HA ARG 50 HA ARG 50 -5.382 -6.301 9.460 386 HB2 ARG 50 2HB ARG 50 -6.496 -3.960 9.122 387 HB3 ARG 50 3HB ARG 50 -5.803 -4.035 7.490 388 HG2 ARG 50 2HG ARG 50 -6.919 -6.345 7.279 389 HG3 ARG 50 3HG ARG 50 -7.794 -5.931 8.766 390 HD2 ARG 50 2HD ARG 50 -8.597 -3.832 7.619 391 HD3 ARG 50 3HD ARG 50 -7.775 -4.360 6.149 392 HE ARG 50 HE ARG 50 -9.264 -6.090 5.827 393 HH11 ARG 50 2HH2 ARG 50 -10.127 -4.347 8.768 394 HH12 ARG 50 1HH2 ARG 50 -11.632 -5.162 9.004 395 HH21 ARG 50 2HH1 ARG 50 -11.225 -7.191 6.099 396 HH22 ARG 50 1HH1 ARG 50 -12.282 -6.840 7.424 397 H MET 51 H MET 51 -3.106 -4.441 7.452 398 HA MET 51 HA MET 51 -3.099 -6.299 5.257 399 HB2 MET 51 2HB MET 51 -2.044 -3.850 5.495 400 HB3 MET 51 3HB MET 51 -0.629 -4.768 6.031 401 HG2 MET 51 2HG MET 51 -0.212 -4.794 3.798 402 HG3 MET 51 3HG MET 51 -1.293 -6.188 3.808 403 HE1 MET 51 3HE MET 51 -4.187 -5.671 3.358 404 HE2 MET 51 1HE MET 51 -3.984 -4.404 4.592 405 HE3 MET 51 2HE MET 51 -4.686 -3.979 3.045 406 H LYS 52 H LYS 52 -1.102 -6.041 8.260 407 HA LYS 52 HA LYS 52 0.661 -8.112 7.468 408 HB2 LYS 52 2HB LYS 52 0.797 -6.306 9.424 409 HB3 LYS 52 3HB LYS 52 0.062 -7.571 10.401 410 HG2 LYS 52 2HG LYS 52 1.858 -9.155 9.753 411 HG3 LYS 52 3HG LYS 52 2.473 -8.009 8.558 412 HD2 LYS 52 2HD LYS 52 2.924 -6.423 10.549 413 HD3 LYS 52 3HD LYS 52 2.736 -7.890 11.551 414 HE2 LYS 52 2HE LYS 52 4.307 -8.891 9.571 415 HE3 LYS 52 3HE LYS 52 4.786 -7.196 9.436 416 HZ1 LYS 52 3HZ LYS 52 4.983 -8.890 11.848 417 HZ2 LYS 52 1HZ LYS 52 6.233 -8.390 10.908 418 HZ3 LYS 52 2HZ LYS 52 5.390 -7.291 11.797 419 H THR 53 H THR 53 -2.400 -8.128 9.197 420 HA THR 53 HA THR 53 -2.348 -10.945 9.807 421 HB THR 53 HB THR 53 -4.744 -10.611 10.374 422 HG1 THR 53 1HG THR 53 -4.323 -8.097 9.190 423 HG21 THR 53 1HG2 THR 53 -3.107 -10.070 12.057 424 HG22 THR 53 2HG2 THR 53 -2.779 -8.488 11.328 425 HG23 THR 53 3HG2 THR 53 -4.352 -8.802 12.082 426 H ILE 54 H ILE 54 -3.922 -9.064 7.168 427 HA ILE 54 HA ILE 54 -5.188 -11.368 6.039 428 HB ILE 54 HB ILE 54 -4.605 -8.564 5.042 429 HG12 ILE 54 2HG1 ILE 54 -6.279 -8.948 6.914 430 HG13 ILE 54 3HG1 ILE 54 -6.805 -8.007 5.513 431 HG21 ILE 54 1HG2 ILE 54 -4.696 -9.788 3.017 432 HG22 ILE 54 2HG2 ILE 54 -6.112 -10.712 3.539 433 HG23 ILE 54 3HG2 ILE 54 -6.246 -8.966 3.200 434 HD11 ILE 54 3HD1 ILE 54 -8.482 -9.676 6.307 435 HD12 ILE 54 1HD1 ILE 54 -8.009 -9.879 4.609 436 HD13 ILE 54 2HD1 ILE 54 -7.347 -10.971 5.851 437 H SER 55 H SER 55 -2.014 -9.946 5.626 438 HA SER 55 HA SER 55 -1.457 -11.643 3.261 439 HB2 SER 55 2HB SER 55 0.762 -10.646 3.300 440 HB3 SER 55 3HB SER 55 -0.410 -9.336 3.538 441 HG SER 55 HG SER 55 0.131 -9.138 5.568 442 H THR 56 H THR 56 -0.695 -11.476 6.672 443 HA THR 56 HA THR 56 0.420 -12.778 8.070 444 HB THR 56 HB THR 56 -0.671 -14.855 6.157 445 HG1 THR 56 1HG THR 56 -2.052 -13.588 7.513 446 HG21 THR 56 1HG2 THR 56 1.158 -16.060 7.234 447 HG22 THR 56 2HG2 THR 56 0.737 -15.360 8.819 448 HG23 THR 56 3HG2 THR 56 -0.356 -16.517 8.027 449 H ASP 57 H ASP 57 1.765 -11.912 5.119 450 HA ASP 57 HA ASP 57 4.369 -12.876 5.884 451 HB2 ASP 57 2HB ASP 57 3.312 -14.873 4.754 452 HB3 ASP 57 3HB ASP 57 3.094 -13.884 3.305 453 H LEU 58 H LEU 58 5.867 -11.561 4.977 454 HA LEU 58 HA LEU 58 4.986 -9.072 3.706 455 HB2 LEU 58 2HB LEU 58 7.802 -10.122 4.248 456 HB3 LEU 58 3HB LEU 58 7.403 -8.535 3.604 457 HG LEU 58 HG LEU 58 5.837 -8.579 5.885 458 HD11 LEU 58 1HD1 LEU 58 6.898 -10.700 6.663 459 HD12 LEU 58 2HD1 LEU 58 8.494 -9.931 6.554 460 HD13 LEU 58 3HD1 LEU 58 7.299 -9.339 7.725 461 HD21 LEU 58 3HD2 LEU 58 8.708 -7.597 5.609 462 HD22 LEU 58 1HD2 LEU 58 7.246 -6.717 5.114 463 HD23 LEU 58 2HD2 LEU 58 7.535 -7.053 6.827 464 H GLN 59 H GLN 59 5.928 -12.179 2.654 465 HA GLN 59 HA GLN 59 6.997 -11.559 0.061 466 HB2 GLN 59 2HB GLN 59 7.159 -13.763 1.312 467 HB3 GLN 59 3HB GLN 59 5.433 -13.992 1.018 468 HG2 GLN 59 2HG GLN 59 6.697 -15.260 -0.617 469 HG3 GLN 59 3HG GLN 59 5.828 -13.958 -1.432 470 HE21 GLN 59 1HE2 GLN 59 7.135 -13.220 -3.128 471 HE22 GLN 59 2HE2 GLN 59 8.866 -12.945 -2.934 472 H LEU 60 H LEU 60 3.768 -12.468 1.307 473 HA LEU 60 HA LEU 60 2.405 -12.114 -1.212 474 HB2 LEU 60 2HB LEU 60 1.775 -12.957 1.519 475 HB3 LEU 60 3HB LEU 60 0.596 -11.771 1.008 476 HG LEU 60 HG LEU 60 1.365 -14.205 -0.646 477 HD11 LEU 60 1HD1 LEU 60 -0.723 -15.224 0.194 478 HD12 LEU 60 2HD1 LEU 60 0.383 -14.864 1.526 479 HD13 LEU 60 3HD1 LEU 60 -1.008 -13.810 1.234 480 HD21 LEU 60 3HD2 LEU 60 -0.648 -13.739 -1.926 481 HD22 LEU 60 1HD2 LEU 60 -1.115 -12.435 -0.849 482 HD23 LEU 60 2HD2 LEU 60 0.305 -12.254 -1.890 483 H ILE 61 H ILE 61 3.200 -9.925 1.460 484 HA ILE 61 HA ILE 61 1.426 -7.860 0.437 485 HB ILE 61 HB ILE 61 2.855 -8.210 2.772 486 HG12 ILE 61 2HG1 ILE 61 0.684 -7.091 2.399 487 HG13 ILE 61 3HG1 ILE 61 1.734 -6.219 3.510 488 HG21 ILE 61 1HG2 ILE 61 4.192 -6.193 3.143 489 HG22 ILE 61 2HG2 ILE 61 4.946 -7.245 1.949 490 HG23 ILE 61 3HG2 ILE 61 4.106 -5.780 1.423 491 HD11 ILE 61 3HD1 ILE 61 0.483 -4.813 1.756 492 HD12 ILE 61 1HD1 ILE 61 2.228 -4.520 1.897 493 HD13 ILE 61 2HD1 ILE 61 1.566 -5.481 0.556 494 H THR 62 H THR 62 4.744 -8.851 -0.157 495 HA THR 62 HA THR 62 5.405 -6.471 -1.709 496 HB THR 62 HB THR 62 6.760 -9.191 -1.547 497 HG1 THR 62 1HG THR 62 6.873 -8.001 0.335 498 HG21 THR 62 1HG2 THR 62 7.698 -6.576 -2.818 499 HG22 THR 62 2HG2 THR 62 8.723 -7.994 -2.515 500 HG23 THR 62 3HG2 THR 62 7.388 -8.105 -3.676 501 H GLU 63 H GLU 63 4.145 -9.755 -2.494 502 HA GLU 63 HA GLU 63 4.215 -9.224 -5.342 503 HB2 GLU 63 2HB GLU 63 4.024 -11.554 -4.423 504 HB3 GLU 63 3HB GLU 63 2.373 -11.174 -3.884 505 HG2 GLU 63 2HG GLU 63 1.868 -10.506 -6.324 506 HG3 GLU 63 3HG GLU 63 3.458 -11.121 -6.754 507 H ALA 64 H ALA 64 1.844 -8.729 -2.748 508 HA ALA 64 HA ALA 64 -0.375 -8.103 -4.370 509 HB1 ALA 64 1HB ALA 64 -0.503 -8.374 -1.918 510 HB2 ALA 64 2HB ALA 64 0.358 -6.831 -1.699 511 HB3 ALA 64 3HB ALA 64 -1.251 -6.848 -2.452 512 H LEU 65 H LEU 65 2.272 -6.010 -3.185 513 HA LEU 65 HA LEU 65 1.277 -3.639 -4.519 514 HB2 LEU 65 2HB LEU 65 3.900 -4.475 -3.247 515 HB3 LEU 65 3HB LEU 65 3.771 -2.955 -4.129 516 HG LEU 65 HG LEU 65 1.837 -3.664 -1.896 517 HD11 LEU 65 1HD1 LEU 65 3.217 -2.420 -0.389 518 HD12 LEU 65 2HD1 LEU 65 4.261 -3.618 -1.149 519 HD13 LEU 65 3HD1 LEU 65 4.324 -1.916 -1.697 520 HD21 LEU 65 3HD2 LEU 65 1.146 -1.827 -3.481 521 HD22 LEU 65 1HD2 LEU 65 1.488 -1.209 -1.868 522 HD23 LEU 65 2HD2 LEU 65 2.689 -1.014 -3.163 523 H LYS 66 H LYS 66 3.492 -6.278 -5.443 524 HA LYS 66 HA LYS 66 4.537 -5.001 -7.776 525 HB2 LYS 66 2HB LYS 66 5.399 -7.152 -6.727 526 HB3 LYS 66 3HB LYS 66 4.023 -7.976 -7.494 527 HG2 LYS 66 2HG LYS 66 4.801 -6.947 -9.704 528 HG3 LYS 66 3HG LYS 66 6.263 -6.415 -8.868 529 HD2 LYS 66 2HD LYS 66 7.025 -8.648 -8.595 530 HD3 LYS 66 3HD LYS 66 5.395 -9.328 -8.862 531 HE2 LYS 66 2HE LYS 66 5.390 -8.499 -11.177 532 HE3 LYS 66 3HE LYS 66 6.994 -7.789 -10.958 533 HZ1 LYS 66 3HZ LYS 66 7.042 -9.932 -12.079 534 HZ2 LYS 66 1HZ LYS 66 7.883 -9.986 -10.667 535 HZ3 LYS 66 2HZ LYS 66 6.388 -10.673 -10.764 536 H LYS 67 H LYS 67 1.550 -6.807 -7.263 537 HA LYS 67 HA LYS 67 0.756 -6.373 -10.108 538 HB2 LYS 67 2HB LYS 67 -0.206 -8.134 -7.825 539 HB3 LYS 67 3HB LYS 67 -1.250 -7.842 -9.220 540 HG2 LYS 67 2HG LYS 67 0.332 -8.772 -10.756 541 HG3 LYS 67 3HG LYS 67 1.575 -8.924 -9.495 542 HD2 LYS 67 2HD LYS 67 0.269 -10.558 -8.293 543 HD3 LYS 67 3HD LYS 67 -1.136 -10.316 -9.351 544 HE2 LYS 67 2HE LYS 67 0.026 -11.254 -11.249 545 HE3 LYS 67 3HE LYS 67 1.558 -11.317 -10.352 546 HZ1 LYS 67 3HZ LYS 67 -0.877 -12.857 -9.742 547 HZ2 LYS 67 1HZ LYS 67 0.464 -13.467 -10.409 548 HZ3 LYS 67 2HZ LYS 67 0.502 -12.909 -8.841 549 H SER 68 H SER 68 0.929 -4.002 -8.120 550 HA SER 68 HA SER 68 -1.542 -3.570 -6.950 551 HB2 SER 68 2HB SER 68 -0.873 -1.122 -7.154 552 HB3 SER 68 3HB SER 68 0.242 -2.147 -6.294 553 HG SER 68 HG SER 68 0.378 -1.315 -8.998 554 H THR 69 H THR 69 -3.420 -2.720 -7.553 555 HA THR 69 HA THR 69 -3.941 -2.429 -10.424 556 HB THR 69 HB THR 69 -5.320 -3.961 -9.286 557 HG1 THR 69 1HG THR 69 -6.504 -2.737 -10.753 558 HG21 THR 69 1HG2 THR 69 -6.408 -1.863 -7.369 559 HG22 THR 69 2HG2 THR 69 -6.737 -3.567 -7.428 560 HG23 THR 69 3HG2 THR 69 -5.161 -3.028 -6.865 561 H ARG 70 H ARG 70 -5.109 -0.497 -7.545 562 HA ARG 70 HA ARG 70 -5.197 1.820 -9.342 563 HB2 ARG 70 2HB ARG 70 -5.786 1.669 -6.355 564 HB3 ARG 70 3HB ARG 70 -6.120 3.034 -7.431 565 HG2 ARG 70 2HG ARG 70 -7.561 1.448 -8.819 566 HG3 ARG 70 3HG ARG 70 -7.418 0.297 -7.474 567 HD2 ARG 70 2HD ARG 70 -8.176 2.341 -5.996 568 HD3 ARG 70 3HD ARG 70 -8.748 3.021 -7.536 569 HE ARG 70 HE ARG 70 -9.593 0.282 -7.150 570 HH11 ARG 70 2HH2 ARG 70 -10.475 3.566 -6.359 571 HH12 ARG 70 1HH2 ARG 70 -11.835 3.118 -5.394 572 HH21 ARG 70 2HH1 ARG 70 -11.421 -0.313 -6.114 573 HH22 ARG 70 1HH1 ARG 70 -12.668 0.820 -5.632 574 H LEU 71 H LEU 71 -2.545 0.434 -7.610 575 HA LEU 71 HA LEU 71 -1.358 3.118 -7.454 576 HB2 LEU 71 2HB LEU 71 -0.371 0.953 -5.639 577 HB3 LEU 71 3HB LEU 71 -0.350 2.683 -5.487 578 HG LEU 71 HG LEU 71 -2.757 0.914 -4.949 579 HD11 LEU 71 1HD1 LEU 71 -0.976 2.536 -3.083 580 HD12 LEU 71 2HD1 LEU 71 -2.321 1.473 -2.624 581 HD13 LEU 71 3HD1 LEU 71 -0.849 0.780 -3.327 582 HD21 LEU 71 3HD2 LEU 71 -2.379 3.916 -4.886 583 HD22 LEU 71 1HD2 LEU 71 -3.765 3.003 -5.502 584 HD23 LEU 71 2HD2 LEU 71 -3.514 3.136 -3.771 585 H GLN 72 H GLN 72 1.183 2.670 -7.567 586 HA GLN 72 HA GLN 72 1.788 0.350 -9.335 587 HB2 GLN 72 2HB GLN 72 2.410 3.270 -9.935 588 HB3 GLN 72 3HB GLN 72 3.162 1.887 -10.749 589 HG2 GLN 72 2HG GLN 72 0.888 1.121 -11.468 590 HG3 GLN 72 3HG GLN 72 0.205 2.613 -10.788 591 HE21 GLN 72 1HE2 GLN 72 -0.073 1.991 -13.555 592 HE22 GLN 72 2HE2 GLN 72 0.918 3.143 -14.443 593 H VAL 73 H VAL 73 3.350 -0.722 -8.161 594 HA VAL 73 HA VAL 73 5.060 0.815 -6.371 595 HB VAL 73 HB VAL 73 3.999 -1.416 -5.858 596 HG11 VAL 73 1HG1 VAL 73 5.221 -3.430 -6.516 597 HG12 VAL 73 2HG1 VAL 73 4.526 -2.622 -7.944 598 HG13 VAL 73 3HG1 VAL 73 6.265 -2.502 -7.591 599 HG21 VAL 73 3HG2 VAL 73 7.007 -1.175 -5.491 600 HG22 VAL 73 1HG2 VAL 73 5.749 -0.549 -4.406 601 HG23 VAL 73 2HG2 VAL 73 5.949 -2.286 -4.608 602 H SER 74 H SER 74 7.282 0.821 -6.484 603 HA SER 74 HA SER 74 8.538 0.850 -9.125 604 HB2 SER 74 2HB SER 74 9.169 2.489 -7.363 605 HB3 SER 74 3HB SER 74 9.766 1.147 -6.357 606 HG SER 74 HG SER 74 11.376 2.238 -7.724 607 H GLU 75 H GLU 75 10.497 -0.378 -9.526 608 HA GLU 75 HA GLU 75 10.062 -3.195 -9.300 609 HB2 GLU 75 2HB GLU 75 12.188 -3.365 -10.476 610 HB3 GLU 75 3HB GLU 75 11.196 -2.080 -11.172 611 HG2 GLU 75 2HG GLU 75 12.558 -0.481 -9.578 612 HG3 GLU 75 3HG GLU 75 13.691 -1.829 -9.459 613 H ASP 76 H ASP 76 11.528 -0.891 -7.116 614 HA ASP 76 HA ASP 76 13.306 -2.795 -5.808 615 HB2 ASP 76 2HB ASP 76 13.612 -0.304 -5.860 616 HB3 ASP 76 3HB ASP 76 12.147 -0.132 -4.886 617 H GLY 77 H GLY 77 9.881 -1.903 -5.659 618 HA2 GLY 77 2HA GLY 77 8.204 -2.559 -4.167 619 HA3 GLY 77 3HA GLY 77 9.232 -3.941 -3.756 620 H LYS 78 H LYS 78 10.069 -0.522 -3.405 621 HA LYS 78 HA LYS 78 9.418 -0.562 -0.483 622 HB2 LYS 78 2HB LYS 78 11.964 0.486 -1.763 623 HB3 LYS 78 3HB LYS 78 11.334 1.165 -0.275 624 HG2 LYS 78 2HG LYS 78 12.792 -0.388 0.580 625 HG3 LYS 78 3HG LYS 78 11.254 -1.260 0.632 626 HD2 LYS 78 2HD LYS 78 12.049 -1.974 -1.830 627 HD3 LYS 78 3HD LYS 78 13.640 -1.616 -1.172 628 HE2 LYS 78 2HE LYS 78 13.538 -3.351 0.373 629 HE3 LYS 78 3HE LYS 78 11.758 -3.384 0.388 630 HZ1 LYS 78 3HZ LYS 78 13.329 -4.094 -1.999 631 HZ2 LYS 78 1HZ LYS 78 12.785 -5.231 -0.897 632 HZ3 LYS 78 2HZ LYS 78 11.748 -4.285 -1.785 633 H MET 79 H MET 79 8.698 0.900 -3.530 634 HA MET 79 HA MET 79 7.337 2.960 -1.947 635 HB2 MET 79 2HB MET 79 9.165 3.570 -4.342 636 HB3 MET 79 3HB MET 79 8.036 4.727 -3.650 637 HG2 MET 79 2HG MET 79 10.430 3.507 -2.224 638 HG3 MET 79 3HG MET 79 10.347 5.126 -2.908 639 HE1 MET 79 3HE MET 79 10.474 5.515 1.059 640 HE2 MET 79 1HE MET 79 11.165 4.171 0.123 641 HE3 MET 79 2HE MET 79 11.343 5.847 -0.459 642 H VAL 80 H VAL 80 5.423 3.783 -3.005 643 HA VAL 80 HA VAL 80 4.743 2.627 -5.582 644 HB VAL 80 HB VAL 80 4.023 0.822 -4.196 645 HG11 VAL 80 1HG1 VAL 80 2.610 1.101 -2.173 646 HG12 VAL 80 2HG1 VAL 80 4.214 1.805 -1.962 647 HG13 VAL 80 3HG1 VAL 80 2.805 2.849 -2.304 648 HG21 VAL 80 3HG2 VAL 80 2.266 1.654 -5.767 649 HG22 VAL 80 1HG2 VAL 80 1.621 0.812 -4.354 650 HG23 VAL 80 2HG2 VAL 80 1.569 2.582 -4.417 651 H ARG 81 H ARG 81 3.266 3.881 -6.657 652 HA ARG 81 HA ARG 81 2.567 6.437 -5.249 653 HB2 ARG 81 2HB ARG 81 2.408 6.198 -8.258 654 HB3 ARG 81 3HB ARG 81 2.644 7.610 -7.260 655 HG2 ARG 81 2HG ARG 81 4.638 7.324 -8.433 656 HG3 ARG 81 3HG ARG 81 5.033 6.734 -6.815 657 HD2 ARG 81 2HD ARG 81 5.234 4.538 -7.528 658 HD3 ARG 81 3HD ARG 81 3.975 4.728 -8.769 659 HE ARG 81 HE ARG 81 6.235 6.275 -9.488 660 HH11 ARG 81 2HH2 ARG 81 5.180 2.937 -9.203 661 HH12 ARG 81 1HH2 ARG 81 6.079 2.317 -10.539 662 HH21 ARG 81 2HH1 ARG 81 7.445 5.542 -11.344 663 HH22 ARG 81 1HH1 ARG 81 7.398 3.882 -11.814 664 H ARG 82 H ARG 82 0.464 7.301 -5.560 665 HA ARG 82 HA ARG 82 -1.512 5.305 -6.590 666 HB2 ARG 82 2HB ARG 82 -3.216 6.478 -5.317 667 HB3 ARG 82 3HB ARG 82 -1.878 5.975 -4.294 668 HG2 ARG 82 2HG ARG 82 -2.360 7.996 -3.466 669 HG3 ARG 82 3HG ARG 82 -0.979 8.384 -4.495 670 HD2 ARG 82 2HD ARG 82 -2.420 9.396 -6.143 671 HD3 ARG 82 3HD ARG 82 -3.883 8.747 -5.351 672 HE ARG 82 HE ARG 82 -2.549 10.233 -3.429 673 HH11 ARG 82 2HH2 ARG 82 -4.258 10.825 -6.449 674 HH12 ARG 82 1HH2 ARG 82 -4.544 12.482 -6.241 675 HH21 ARG 82 2HH1 ARG 82 -2.896 12.435 -2.997 676 HH22 ARG 82 1HH1 ARG 82 -3.788 13.444 -4.105 677 H LEU 83 H LEU 83 -3.549 6.675 -7.511 678 HA LEU 83 HA LEU 83 -2.406 7.840 -9.943 679 HB2 LEU 83 2HB LEU 83 -5.259 7.210 -9.050 680 HB3 LEU 83 3HB LEU 83 -4.835 7.768 -10.667 681 HG LEU 83 HG LEU 83 -3.631 5.244 -9.494 682 HD11 LEU 83 1HD1 LEU 83 -5.383 3.981 -10.677 683 HD12 LEU 83 2HD1 LEU 83 -6.087 5.026 -9.432 684 HD13 LEU 83 3HD1 LEU 83 -6.169 5.510 -11.144 685 HD21 LEU 83 3HD2 LEU 83 -2.497 6.163 -11.478 686 HD22 LEU 83 1HD2 LEU 83 -3.315 4.638 -11.852 687 HD23 LEU 83 2HD2 LEU 83 -4.045 6.176 -12.361 688 H ASP 84 H ASP 84 -2.741 10.005 -10.581 689 HA ASP 84 HA ASP 84 -2.983 11.982 -8.648 690 HB2 ASP 84 2HB ASP 84 -2.620 11.862 -11.495 691 HB3 ASP 84 3HB ASP 84 -3.887 13.045 -11.184 692 HA PRO 85 HA PRO 85 -7.568 12.751 -9.659 693 HB2 PRO 85 2HB PRO 85 -9.048 10.954 -11.111 694 HB3 PRO 85 3HB PRO 85 -8.073 12.251 -11.875 695 HG2 PRO 85 2HG PRO 85 -7.270 9.360 -11.403 696 HG3 PRO 85 3HG PRO 85 -7.178 10.292 -12.936 697 HD2 PRO 85 2HD PRO 85 -5.030 10.026 -11.340 698 HD3 PRO 85 3HD PRO 85 -5.364 11.590 -12.136 699 H LEU 86 H LEU 86 -9.552 11.959 -8.580 700 HA LEU 86 HA LEU 86 -8.790 10.443 -6.331 701 HB2 LEU 86 2HB LEU 86 -10.903 10.847 -5.438 702 HB3 LEU 86 3HB LEU 86 -10.542 12.264 -6.381 703 HG LEU 86 HG LEU 86 -12.244 10.034 -7.583 704 HD11 LEU 86 1HD1 LEU 86 -13.193 12.202 -5.677 705 HD12 LEU 86 2HD1 LEU 86 -14.229 11.116 -6.641 706 HD13 LEU 86 3HD1 LEU 86 -13.192 10.445 -5.380 707 HD21 LEU 86 3HD2 LEU 86 -11.575 11.897 -9.069 708 HD22 LEU 86 1HD2 LEU 86 -13.307 11.940 -8.731 709 HD23 LEU 86 2HD2 LEU 86 -12.225 13.073 -7.892 710 HA PRO 87 HA PRO 87 -9.571 6.328 -7.541 711 HB2 PRO 87 2HB PRO 87 -10.041 5.094 -5.128 712 HB3 PRO 87 3HB PRO 87 -8.452 5.777 -5.584 713 HG2 PRO 87 2HG PRO 87 -10.619 7.044 -3.872 714 HG3 PRO 87 3HG PRO 87 -8.861 6.944 -3.543 715 HD2 PRO 87 2HD PRO 87 -10.019 9.144 -4.615 716 HD3 PRO 87 3HD PRO 87 -8.370 8.629 -5.085 717 H GLU 88 H GLU 88 -11.448 5.994 -8.787 718 HA GLU 88 HA GLU 88 -13.972 5.587 -7.261 719 HB2 GLU 88 2HB GLU 88 -13.408 7.819 -8.804 720 HB3 GLU 88 3HB GLU 88 -14.288 6.806 -9.945 721 HG2 GLU 88 2HG GLU 88 -16.087 6.501 -8.221 722 HG3 GLU 88 3HG GLU 88 -15.196 7.583 -7.141 723 H ASN 89 H ASN 89 -13.560 3.336 -7.350 724 HA ASN 89 HA ASN 89 -13.525 1.217 -8.205 725 HB2 ASN 89 2HB ASN 89 -15.431 2.392 -10.244 726 HB3 ASN 89 3HB ASN 89 -15.233 0.688 -9.855 727 HD21 ASN 89 1HD2 ASN 89 -17.201 3.334 -9.177 728 HD22 ASN 89 2HD2 ASN 89 -17.813 2.769 -7.628 729 H ILE 90 H ILE 90 -11.310 2.622 -9.083 730 HA ILE 90 HA ILE 90 -11.094 1.957 -11.945 731 HB ILE 90 HB ILE 90 -9.240 3.250 -9.882 732 HG12 ILE 90 2HG1 ILE 90 -10.271 4.478 -12.469 733 HG13 ILE 90 3HG1 ILE 90 -11.249 4.502 -11.008 734 HG21 ILE 90 1HG2 ILE 90 -7.772 2.001 -11.374 735 HG22 ILE 90 2HG2 ILE 90 -8.638 2.596 -12.803 736 HG23 ILE 90 3HG2 ILE 90 -7.670 3.706 -11.815 737 HD11 ILE 90 3HD1 ILE 90 -10.059 6.587 -11.149 738 HD12 ILE 90 1HD1 ILE 90 -9.423 5.659 -9.779 739 HD13 ILE 90 2HD1 ILE 90 -8.501 5.760 -11.296 740 H ASP 91 H ASP 91 -9.818 0.016 -12.626 741 HA ASP 91 HA ASP 91 -8.152 -1.109 -10.661 742 HB2 ASP 91 2HB ASP 91 -9.036 -3.448 -10.867 743 HB3 ASP 91 3HB ASP 91 -9.996 -2.351 -9.894 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -2.438 -16.782 0.959 2 H2 MET 1 H2 MET 1 -1.155 -15.909 1.532 3 H3 MET 1 H3 MET 1 -1.759 -15.629 0.025 4 HA MET 1 HA MET 1 0.249 -16.821 -0.211 5 HB2 MET 1 2HB MET 1 -0.028 -17.714 2.163 6 HB3 MET 1 3HB MET 1 -0.996 -19.020 1.492 7 HG2 MET 1 2HG MET 1 1.753 -18.366 0.384 8 HG3 MET 1 3HG MET 1 1.601 -19.255 1.895 9 HE1 MET 1 1HE MET 1 3.284 -20.888 0.563 10 HE2 MET 1 2HE MET 1 2.793 -21.844 -0.856 11 HE3 MET 1 3HE MET 1 3.041 -20.090 -1.010 12 H SER 2 H SER 2 -1.404 -16.293 -2.137 13 HA SER 2 HA SER 2 -1.587 -18.166 -4.014 14 HB2 SER 2 2HB SER 2 -3.858 -18.565 -2.066 15 HB3 SER 2 3HB SER 2 -4.240 -18.584 -3.790 16 HG SER 2 HG SER 2 -2.369 -20.215 -2.450 17 H GLU 3 H GLU 3 -3.365 -17.479 -5.728 18 HA GLU 3 HA GLU 3 -3.333 -14.614 -5.892 19 HB2 GLU 3 2HB GLU 3 -4.500 -16.841 -7.546 20 HB3 GLU 3 3HB GLU 3 -5.165 -15.208 -7.748 21 HG2 GLU 3 2HG GLU 3 -2.813 -14.330 -7.987 22 HG3 GLU 3 3HG GLU 3 -2.243 -16.002 -8.050 23 H GLU 4 H GLU 4 -5.738 -16.838 -4.501 24 HA GLU 4 HA GLU 4 -7.845 -14.928 -4.314 25 HB2 GLU 4 2HB GLU 4 -6.975 -17.204 -2.490 26 HB3 GLU 4 3HB GLU 4 -8.421 -16.221 -2.187 27 HG2 GLU 4 2HG GLU 4 -9.351 -16.835 -4.376 28 HG3 GLU 4 3HG GLU 4 -7.912 -17.800 -4.744 29 H THR 5 H THR 5 -5.152 -15.615 -1.971 30 HA THR 5 HA THR 5 -5.892 -13.490 -0.222 31 HB THR 5 HB THR 5 -3.027 -14.327 -0.622 32 HG1 THR 5 1HG THR 5 -5.072 -15.940 0.464 33 HG21 THR 5 1HG2 THR 5 -2.988 -14.221 1.856 34 HG22 THR 5 2HG2 THR 5 -3.583 -12.708 1.161 35 HG23 THR 5 3HG2 THR 5 -4.724 -13.865 1.869 36 H SER 6 H SER 6 -3.634 -13.675 -2.979 37 HA SER 6 HA SER 6 -2.413 -11.164 -2.562 38 HB2 SER 6 2HB SER 6 -1.614 -13.078 -4.085 39 HB3 SER 6 3HB SER 6 -2.841 -12.545 -5.246 40 HG SER 6 HG SER 6 -0.436 -11.360 -4.498 41 H THR 7 H THR 7 -5.233 -12.116 -4.474 42 HA THR 7 HA THR 7 -5.704 -9.461 -5.458 43 HB THR 7 HB THR 7 -7.523 -11.913 -5.397 44 HG1 THR 7 1HG THR 7 -5.873 -12.407 -6.657 45 HG21 THR 7 1HG2 THR 7 -7.717 -9.342 -7.027 46 HG22 THR 7 2HG2 THR 7 -8.673 -10.812 -7.319 47 HG23 THR 7 3HG2 THR 7 -8.883 -9.916 -5.807 48 H GLN 8 H GLN 8 -6.877 -11.282 -2.678 49 HA GLN 8 HA GLN 8 -8.996 -9.469 -1.927 50 HB2 GLN 8 2HB GLN 8 -7.181 -11.402 -0.433 51 HB3 GLN 8 3HB GLN 8 -8.312 -10.375 0.424 52 HG2 GLN 8 2HG GLN 8 -9.479 -11.915 -1.862 53 HG3 GLN 8 3HG GLN 8 -8.891 -12.878 -0.505 54 HE21 GLN 8 1HE2 GLN 8 -11.612 -11.068 -1.615 55 HE22 GLN 8 2HE2 GLN 8 -12.391 -10.977 -0.043 56 H ILE 9 H ILE 9 -5.484 -9.588 -1.428 57 HA ILE 9 HA ILE 9 -5.668 -7.380 0.492 58 HB ILE 9 HB ILE 9 -4.040 -9.461 0.484 59 HG12 ILE 9 2HG1 ILE 9 -3.350 -6.628 1.414 60 HG13 ILE 9 3HG1 ILE 9 -4.377 -7.788 2.271 61 HG21 ILE 9 1HG2 ILE 9 -2.822 -8.723 -1.606 62 HG22 ILE 9 2HG2 ILE 9 -2.201 -7.346 -0.671 63 HG23 ILE 9 3HG2 ILE 9 -1.799 -9.018 -0.214 64 HD11 ILE 9 3HD1 ILE 9 -2.428 -9.353 2.375 65 HD12 ILE 9 1HD1 ILE 9 -1.380 -8.041 1.756 66 HD13 ILE 9 2HD1 ILE 9 -2.209 -7.862 3.309 67 H LEU 10 H LEU 10 -4.910 -7.976 -2.798 68 HA LEU 10 HA LEU 10 -3.639 -5.567 -3.524 69 HB2 LEU 10 2HB LEU 10 -4.534 -7.775 -4.927 70 HB3 LEU 10 3HB LEU 10 -5.721 -6.630 -5.436 71 HG LEU 10 HG LEU 10 -3.177 -5.302 -5.596 72 HD11 LEU 10 1HD1 LEU 10 -1.843 -6.851 -6.872 73 HD12 LEU 10 2HD1 LEU 10 -2.290 -7.673 -5.379 74 HD13 LEU 10 3HD1 LEU 10 -3.136 -8.070 -6.889 75 HD21 LEU 10 3HD2 LEU 10 -4.826 -6.588 -7.810 76 HD22 LEU 10 1HD2 LEU 10 -5.231 -5.050 -7.016 77 HD23 LEU 10 2HD2 LEU 10 -3.730 -5.201 -7.943 78 H LYS 11 H LYS 11 -7.106 -6.394 -3.537 79 HA LYS 11 HA LYS 11 -7.964 -3.674 -4.169 80 HB2 LYS 11 2HB LYS 11 -9.366 -6.138 -3.044 81 HB3 LYS 11 3HB LYS 11 -10.121 -4.552 -3.033 82 HG2 LYS 11 2HG LYS 11 -10.879 -5.028 -5.044 83 HG3 LYS 11 3HG LYS 11 -9.284 -4.593 -5.631 84 HD2 LYS 11 2HD LYS 11 -8.599 -6.945 -5.632 85 HD3 LYS 11 3HD LYS 11 -10.145 -7.437 -4.907 86 HE2 LYS 11 2HE LYS 11 -9.827 -5.996 -7.575 87 HE3 LYS 11 3HE LYS 11 -10.051 -7.744 -7.409 88 HZ1 LYS 11 3HZ LYS 11 -11.992 -5.747 -6.404 89 HZ2 LYS 11 1HZ LYS 11 -12.114 -6.488 -7.867 90 HZ3 LYS 11 2HZ LYS 11 -12.198 -7.370 -6.477 91 H GLN 12 H GLN 12 -7.405 -5.488 -1.179 92 HA GLN 12 HA GLN 12 -8.409 -3.509 0.559 93 HB2 GLN 12 2HB GLN 12 -7.212 -6.006 0.802 94 HB3 GLN 12 3HB GLN 12 -6.082 -4.986 1.637 95 HG2 GLN 12 2HG GLN 12 -7.422 -4.978 3.443 96 HG3 GLN 12 3HG GLN 12 -8.733 -4.247 2.521 97 HE21 GLN 12 1HE2 GLN 12 -10.531 -5.479 3.286 98 HE22 GLN 12 2HE2 GLN 12 -10.558 -7.230 3.129 99 H VAL 13 H VAL 13 -5.255 -3.767 -1.051 100 HA VAL 13 HA VAL 13 -3.894 -1.745 0.509 101 HB VAL 13 HB VAL 13 -3.429 -3.301 -2.029 102 HG11 VAL 13 1HG1 VAL 13 -1.357 -2.026 -2.485 103 HG12 VAL 13 2HG1 VAL 13 -2.830 -1.120 -2.810 104 HG13 VAL 13 3HG1 VAL 13 -1.891 -0.778 -1.329 105 HG21 VAL 13 3HG2 VAL 13 -1.295 -3.810 -0.908 106 HG22 VAL 13 1HG2 VAL 13 -1.716 -2.706 0.420 107 HG23 VAL 13 2HG2 VAL 13 -2.664 -4.187 0.142 108 H GLU 14 H GLU 14 -5.785 -1.833 -2.526 109 HA GLU 14 HA GLU 14 -5.526 0.936 -3.029 110 HB2 GLU 14 2HB GLU 14 -6.369 -1.049 -4.498 111 HB3 GLU 14 3HB GLU 14 -7.961 -0.702 -3.826 112 HG2 GLU 14 2HG GLU 14 -6.127 1.296 -5.219 113 HG3 GLU 14 3HG GLU 14 -7.408 0.373 -6.035 114 H TYR 15 H TYR 15 -7.797 -0.866 -0.974 115 HA TYR 15 HA TYR 15 -9.738 1.095 -0.572 116 HB2 TYR 15 2HB TYR 15 -10.535 -0.807 0.233 117 HB3 TYR 15 3HB TYR 15 -8.965 -1.463 0.582 118 HD1 TYR 15 HD1 TYR 15 -7.768 -0.876 2.744 119 HD2 TYR 15 HD2 TYR 15 -11.905 0.083 2.012 120 HE1 TYR 15 HE1 TYR 15 -8.079 -0.540 5.130 121 HE2 TYR 15 HE2 TYR 15 -12.256 0.404 4.427 122 HH TYR 15 HH TYR 15 -11.208 0.553 6.514 123 H TYR 16 H TYR 16 -6.621 0.628 1.128 124 HA TYR 16 HA TYR 16 -7.108 2.635 3.127 125 HB2 TYR 16 2HB TYR 16 -4.752 1.098 2.110 126 HB3 TYR 16 3HB TYR 16 -4.404 2.581 2.961 127 HD1 TYR 16 HD2 TYR 16 -5.853 2.954 5.216 128 HD2 TYR 16 HD1 TYR 16 -4.730 -0.813 3.483 129 HE1 TYR 16 HE2 TYR 16 -5.919 1.912 7.467 130 HE2 TYR 16 HE1 TYR 16 -4.716 -1.854 5.727 131 HH TYR 16 HH TYR 16 -4.541 -1.164 8.183 132 H PHE 17 H PHE 17 -6.520 3.013 -0.170 133 HA PHE 17 HA PHE 17 -6.011 5.912 0.248 134 HB2 PHE 17 2HB PHE 17 -5.598 4.224 -2.243 135 HB3 PHE 17 3HB PHE 17 -5.307 5.961 -2.120 136 HD1 PHE 17 1HD PHE 17 -4.134 2.613 -1.083 137 HD2 PHE 17 2HD PHE 17 -3.378 6.848 -0.833 138 HE1 PHE 17 1HE PHE 17 -1.972 2.161 0.053 139 HE2 PHE 17 2HE PHE 17 -1.223 6.400 0.274 140 HZ PHE 17 HZ PHE 17 -0.539 4.066 0.783 141 H SER 18 H SER 18 -8.319 3.556 -0.835 142 HA SER 18 HA SER 18 -9.833 5.185 -2.537 143 HB2 SER 18 2HB SER 18 -9.634 2.570 -2.077 144 HB3 SER 18 3HB SER 18 -11.163 2.889 -1.240 145 HG SER 18 HG SER 18 -10.805 2.464 -3.674 146 H ASP 19 H ASP 19 -10.100 4.431 0.887 147 HA ASP 19 HA ASP 19 -12.717 5.635 1.214 148 HB2 ASP 19 2HB ASP 19 -11.909 3.681 2.391 149 HB3 ASP 19 3HB ASP 19 -10.533 4.563 3.019 150 H SER 20 H SER 20 -10.182 7.257 0.315 151 HA SER 20 HA SER 20 -9.034 9.142 0.754 152 HB2 SER 20 2HB SER 20 -11.510 9.792 0.254 153 HB3 SER 20 3HB SER 20 -11.541 10.307 1.953 154 HG SER 20 HG SER 20 -10.894 11.984 0.542 155 H ASN 21 H ASN 21 -8.980 7.110 2.836 156 HA ASN 21 HA ASN 21 -8.697 8.652 5.310 157 HB2 ASN 21 2HB ASN 21 -8.302 6.496 6.381 158 HB3 ASN 21 3HB ASN 21 -9.842 6.556 5.516 159 HD21 ASN 21 1HD2 ASN 21 -8.657 4.103 6.262 160 HD22 ASN 21 2HD2 ASN 21 -8.252 3.279 4.767 161 H PHE 22 H PHE 22 -6.641 7.618 2.636 162 HA PHE 22 HA PHE 22 -4.224 7.486 4.057 163 HB2 PHE 22 2HB PHE 22 -3.477 7.080 2.037 164 HB3 PHE 22 3HB PHE 22 -4.992 7.599 1.329 165 HD1 PHE 22 1HD PHE 22 -1.811 9.134 2.717 166 HD2 PHE 22 2HD PHE 22 -4.880 9.237 -0.314 167 HE1 PHE 22 1HE PHE 22 -0.771 11.135 1.720 168 HE2 PHE 22 2HE PHE 22 -3.839 11.232 -1.299 169 HZ PHE 22 HZ PHE 22 -1.769 12.209 -0.276 170 HA PRO 23 HA PRO 23 -3.553 12.056 3.774 171 HB2 PRO 23 2HB PRO 23 -5.557 13.889 3.315 172 HB3 PRO 23 3HB PRO 23 -4.638 13.073 2.010 173 HG2 PRO 23 2HG PRO 23 -7.380 12.382 3.083 174 HG3 PRO 23 3HG PRO 23 -6.821 12.427 1.381 175 HD2 PRO 23 2HD PRO 23 -6.993 10.142 2.919 176 HD3 PRO 23 3HD PRO 23 -5.880 10.311 1.552 177 H ARG 24 H ARG 24 -6.407 10.746 5.281 178 HA ARG 24 HA ARG 24 -6.384 12.720 7.471 179 HB2 ARG 24 2HB ARG 24 -8.475 11.956 6.275 180 HB3 ARG 24 3HB ARG 24 -8.245 10.345 6.954 181 HG2 ARG 24 2HG ARG 24 -8.245 12.663 8.874 182 HG3 ARG 24 3HG ARG 24 -9.777 12.280 8.082 183 HD2 ARG 24 2HD ARG 24 -9.740 10.003 8.904 184 HD3 ARG 24 3HD ARG 24 -8.131 10.237 9.621 185 HE ARG 24 HE ARG 24 -9.862 12.231 10.622 186 HH11 ARG 24 2HH2 ARG 24 -9.397 8.750 10.839 187 HH12 ARG 24 1HH2 ARG 24 -10.015 8.585 12.445 188 HH21 ARG 24 2HH1 ARG 24 -10.692 12.070 12.785 189 HH22 ARG 24 1HH1 ARG 24 -10.770 10.540 13.579 190 H ASP 25 H ASP 25 -5.132 9.516 6.792 191 HA ASP 25 HA ASP 25 -4.839 8.957 9.682 192 HB2 ASP 25 2HB ASP 25 -5.616 7.103 8.281 193 HB3 ASP 25 3HB ASP 25 -4.190 7.269 7.241 194 H LYS 26 H LYS 26 -3.233 9.987 10.481 195 HA LYS 26 HA LYS 26 -1.036 11.242 9.313 196 HB2 LYS 26 2HB LYS 26 -0.079 11.300 11.576 197 HB3 LYS 26 3HB LYS 26 -1.825 11.572 11.629 198 HG2 LYS 26 2HG LYS 26 -1.871 8.897 11.934 199 HG3 LYS 26 3HG LYS 26 -0.234 9.151 12.516 200 HD2 LYS 26 2HD LYS 26 -2.535 10.783 13.649 201 HD3 LYS 26 3HD LYS 26 -2.331 9.088 14.099 202 HE2 LYS 26 2HE LYS 26 0.110 9.668 14.664 203 HE3 LYS 26 3HE LYS 26 -0.389 11.367 14.587 204 HZ1 LYS 26 3HZ LYS 26 -0.546 10.473 16.825 205 HZ2 LYS 26 1HZ LYS 26 -2.052 10.857 16.281 206 HZ3 LYS 26 2HZ LYS 26 -1.567 9.286 16.328 207 H PHE 27 H PHE 27 -1.376 7.805 10.083 208 HA PHE 27 HA PHE 27 1.349 6.981 9.918 209 HB2 PHE 27 2HB PHE 27 -0.700 5.726 10.732 210 HB3 PHE 27 3HB PHE 27 -1.187 5.540 9.058 211 HD1 PHE 27 1HD PHE 27 2.087 5.127 10.898 212 HD2 PHE 27 2HD PHE 27 -0.938 3.307 8.422 213 HE1 PHE 27 1HE PHE 27 3.360 3.035 10.897 214 HE2 PHE 27 2HE PHE 27 0.341 1.172 8.451 215 HZ PHE 27 HZ PHE 27 2.476 1.021 9.695 216 H LEU 28 H LEU 28 -1.244 7.054 7.438 217 HA LEU 28 HA LEU 28 0.582 6.292 5.271 218 HB2 LEU 28 2HB LEU 28 -2.288 7.289 5.473 219 HB3 LEU 28 3HB LEU 28 -1.478 7.224 3.911 220 HG LEU 28 HG LEU 28 -1.075 4.715 5.358 221 HD11 LEU 28 1HD1 LEU 28 -3.201 5.112 6.418 222 HD12 LEU 28 2HD1 LEU 28 -3.946 5.648 4.903 223 HD13 LEU 28 3HD1 LEU 28 -3.515 3.975 5.104 224 HD21 LEU 28 3HD2 LEU 28 -1.378 3.867 3.191 225 HD22 LEU 28 1HD2 LEU 28 -2.600 5.093 2.772 226 HD23 LEU 28 2HD2 LEU 28 -0.854 5.471 2.844 227 H ARG 29 H ARG 29 -0.777 9.331 6.496 228 HA ARG 29 HA ARG 29 0.206 10.911 4.339 229 HB2 ARG 29 2HB ARG 29 -1.588 11.533 6.067 230 HB3 ARG 29 3HB ARG 29 -0.246 11.883 7.177 231 HG2 ARG 29 2HG ARG 29 0.668 13.448 5.380 232 HG3 ARG 29 3HG ARG 29 -0.816 13.184 4.465 233 HD2 ARG 29 2HD ARG 29 -2.120 14.397 5.931 234 HD3 ARG 29 3HD ARG 29 -1.167 13.956 7.344 235 HE ARG 29 HE ARG 29 -0.864 16.290 5.722 236 HH11 ARG 29 2HH2 ARG 29 0.999 13.940 7.576 237 HH12 ARG 29 1HH2 ARG 29 2.309 15.000 7.957 238 HH21 ARG 29 2HH1 ARG 29 0.895 17.759 6.204 239 HH22 ARG 29 1HH1 ARG 29 2.237 17.230 7.150 240 H SER 30 H SER 30 1.754 9.604 7.259 241 HA SER 30 HA SER 30 4.060 11.319 7.170 242 HB2 SER 30 2HB SER 30 3.320 9.983 9.163 243 HB3 SER 30 3HB SER 30 3.793 8.501 8.307 244 HG SER 30 HG SER 30 5.463 9.195 9.621 245 H GLU 31 H GLU 31 3.337 8.012 5.810 246 HA GLU 31 HA GLU 31 6.001 7.831 4.676 247 HB2 GLU 31 2HB GLU 31 5.265 5.916 3.490 248 HB3 GLU 31 3HB GLU 31 4.523 5.858 5.111 249 HG2 GLU 31 2HG GLU 31 2.421 6.580 4.202 250 HG3 GLU 31 3HG GLU 31 3.097 6.632 2.554 251 H ALA 32 H ALA 32 2.829 8.821 3.478 252 HA ALA 32 HA ALA 32 3.500 9.151 0.793 253 HB1 ALA 32 1HB ALA 32 1.217 8.997 1.750 254 HB2 ALA 32 2HB ALA 32 1.414 10.621 2.464 255 HB3 ALA 32 3HB ALA 32 1.371 10.396 0.707 256 H ALA 33 H ALA 33 3.818 11.360 3.550 257 HA ALA 33 HA ALA 33 4.437 13.740 2.136 258 HB1 ALA 33 1HB ALA 33 3.734 13.797 4.453 259 HB2 ALA 33 2HB ALA 33 5.139 12.828 4.958 260 HB3 ALA 33 3HB ALA 33 5.358 14.482 4.344 261 H LYS 34 H LYS 34 6.362 10.902 1.971 262 HA LYS 34 HA LYS 34 8.875 12.417 1.873 263 HB2 LYS 34 2HB LYS 34 7.990 9.551 1.514 264 HB3 LYS 34 3HB LYS 34 9.428 10.096 0.709 265 HG2 LYS 34 2HG LYS 34 10.104 9.107 2.737 266 HG3 LYS 34 3HG LYS 34 10.372 10.836 2.924 267 HD2 LYS 34 2HD LYS 34 7.782 9.588 3.894 268 HD3 LYS 34 3HD LYS 34 9.240 9.344 4.835 269 HE2 LYS 34 2HE LYS 34 8.211 12.097 4.046 270 HE3 LYS 34 3HE LYS 34 7.781 11.274 5.552 271 HZ1 LYS 34 3HZ LYS 34 10.121 11.206 6.115 272 HZ2 LYS 34 1HZ LYS 34 10.524 11.985 4.721 273 HZ3 LYS 34 2HZ LYS 34 9.635 12.758 5.868 274 H ASN 35 H ASN 35 6.196 11.581 -0.296 275 HA ASN 35 HA ASN 35 7.079 13.604 -2.112 276 HB2 ASN 35 2HB ASN 35 7.350 10.726 -3.035 277 HB3 ASN 35 3HB ASN 35 6.910 12.005 -4.170 278 HD21 ASN 35 1HD2 ASN 35 9.504 10.298 -3.716 279 HD22 ASN 35 2HD2 ASN 35 10.698 11.580 -3.879 280 H VAL 36 H VAL 36 4.923 14.087 -1.007 281 HA VAL 36 HA VAL 36 2.729 14.457 -1.119 282 HB VAL 36 HB VAL 36 3.186 13.682 -3.999 283 HG11 VAL 36 1HG1 VAL 36 1.065 14.868 -4.498 284 HG12 VAL 36 2HG1 VAL 36 0.784 13.401 -3.562 285 HG13 VAL 36 3HG1 VAL 36 0.730 14.985 -2.755 286 HG21 VAL 36 3HG2 VAL 36 3.109 16.124 -4.343 287 HG22 VAL 36 1HG2 VAL 36 2.908 16.366 -2.595 288 HG23 VAL 36 2HG2 VAL 36 4.413 15.668 -3.240 289 H ASP 37 H ASP 37 2.839 11.619 -3.196 290 HA ASP 37 HA ASP 37 2.167 9.732 -1.211 291 HB2 ASP 37 2HB ASP 37 -0.140 10.730 -1.547 292 HB3 ASP 37 3HB ASP 37 -0.106 10.114 -3.202 293 H ASN 38 H ASN 38 4.196 10.073 -3.004 294 HA ASN 38 HA ASN 38 3.814 7.853 -4.929 295 HB2 ASN 38 2HB ASN 38 5.648 10.270 -5.128 296 HB3 ASN 38 3HB ASN 38 5.852 8.826 -6.112 297 HD21 ASN 38 1HD2 ASN 38 3.441 11.363 -5.323 298 HD22 ASN 38 2HD2 ASN 38 2.630 11.249 -6.888 299 H TYR 39 H TYR 39 4.785 8.242 -1.893 300 HA TYR 39 HA TYR 39 6.921 6.260 -2.190 301 HB2 TYR 39 2HB TYR 39 7.823 8.670 -1.885 302 HB3 TYR 39 3HB TYR 39 7.203 8.553 -0.248 303 HD1 TYR 39 HD1 TYR 39 7.932 5.955 0.794 304 HD2 TYR 39 HD2 TYR 39 10.101 8.374 -2.057 305 HE1 TYR 39 HE1 TYR 39 10.001 4.708 1.301 306 HE2 TYR 39 HE2 TYR 39 12.175 7.176 -1.503 307 HH TYR 39 HH TYR 39 13.133 5.444 -0.265 308 H ILE 40 H ILE 40 6.142 4.565 -1.128 309 HA ILE 40 HA ILE 40 4.587 4.892 1.337 310 HB ILE 40 HB ILE 40 3.696 3.551 -1.237 311 HG12 ILE 40 2HG1 ILE 40 2.243 5.502 0.604 312 HG13 ILE 40 3HG1 ILE 40 3.123 5.991 -0.846 313 HG21 ILE 40 1HG2 ILE 40 2.218 2.149 -0.225 314 HG22 ILE 40 2HG2 ILE 40 3.309 2.262 1.172 315 HG23 ILE 40 3HG2 ILE 40 1.879 3.266 1.102 316 HD11 ILE 40 3HD1 ILE 40 0.869 3.996 -0.952 317 HD12 ILE 40 1HD1 ILE 40 0.669 5.752 -1.137 318 HD13 ILE 40 2HD1 ILE 40 1.661 4.836 -2.296 319 H SER 41 H SER 41 5.743 3.519 2.738 320 HA SER 41 HA SER 41 7.838 1.879 1.476 321 HB2 SER 41 2HB SER 41 7.910 3.520 3.647 322 HB3 SER 41 3HB SER 41 7.554 1.981 4.452 323 HG SER 41 HG SER 41 9.497 1.257 3.867 324 H ILE 42 H ILE 42 7.744 -0.371 1.491 325 HA ILE 42 HA ILE 42 5.232 -1.581 1.969 326 HB ILE 42 HB ILE 42 6.254 -3.694 1.535 327 HG12 ILE 42 2HG1 ILE 42 8.944 -3.294 0.986 328 HG13 ILE 42 3HG1 ILE 42 8.748 -2.365 2.476 329 HG21 ILE 42 1HG2 ILE 42 7.560 -1.569 -0.202 330 HG22 ILE 42 2HG2 ILE 42 7.074 -3.211 -0.667 331 HG23 ILE 42 3HG2 ILE 42 5.854 -1.990 -0.254 332 HD11 ILE 42 3HD1 ILE 42 7.712 -4.387 3.541 333 HD12 ILE 42 1HD1 ILE 42 7.976 -5.288 2.028 334 HD13 ILE 42 2HD1 ILE 42 9.364 -4.698 2.965 335 H ASP 43 H ASP 43 7.634 -0.696 4.204 336 HA ASP 43 HA ASP 43 7.126 -2.447 6.365 337 HB2 ASP 43 2HB ASP 43 7.814 0.516 6.470 338 HB3 ASP 43 3HB ASP 43 8.138 -0.704 7.710 339 H VAL 44 H VAL 44 5.393 0.598 5.340 340 HA VAL 44 HA VAL 44 3.778 0.734 7.702 341 HB VAL 44 HB VAL 44 4.058 2.059 5.046 342 HG11 VAL 44 1HG1 VAL 44 1.814 1.666 4.678 343 HG12 VAL 44 2HG1 VAL 44 1.361 1.854 6.395 344 HG13 VAL 44 3HG1 VAL 44 1.828 3.259 5.441 345 HG21 VAL 44 3HG2 VAL 44 3.951 4.052 6.346 346 HG22 VAL 44 1HG2 VAL 44 3.281 3.202 7.740 347 HG23 VAL 44 2HG2 VAL 44 4.968 2.906 7.242 348 H ILE 45 H ILE 45 3.470 -0.595 4.429 349 HA ILE 45 HA ILE 45 0.776 -1.481 4.734 350 HB ILE 45 HB ILE 45 2.931 -2.607 2.959 351 HG12 ILE 45 2HG1 ILE 45 0.986 -0.380 2.132 352 HG13 ILE 45 3HG1 ILE 45 2.535 0.026 2.841 353 HG21 ILE 45 1HG2 ILE 45 1.057 -3.124 1.391 354 HG22 ILE 45 2HG2 ILE 45 0.826 -3.927 2.954 355 HG23 ILE 45 3HG2 ILE 45 -0.099 -2.463 2.558 356 HD11 ILE 45 3HD1 ILE 45 1.993 -1.129 0.162 357 HD12 ILE 45 1HD1 ILE 45 3.190 0.075 0.668 358 HD13 ILE 45 2HD1 ILE 45 3.483 -1.617 0.989 359 H ALA 46 H ALA 46 3.932 -2.963 5.501 360 HA ALA 46 HA ALA 46 2.763 -5.501 6.200 361 HB1 ALA 46 1HB ALA 46 4.998 -5.994 7.121 362 HB2 ALA 46 2HB ALA 46 5.137 -5.266 5.505 363 HB3 ALA 46 3HB ALA 46 5.459 -4.285 6.952 364 H SER 47 H SER 47 3.218 -2.434 7.791 365 HA SER 47 HA SER 47 2.534 -3.561 10.445 366 HB2 SER 47 2HB SER 47 3.710 -0.991 9.404 367 HB3 SER 47 3HB SER 47 2.910 -1.003 10.992 368 HG SER 47 HG SER 47 4.340 -2.488 11.715 369 H PHE 48 H PHE 48 0.739 -2.652 7.804 370 HA PHE 48 HA PHE 48 -1.148 -0.917 8.938 371 HB2 PHE 48 2HB PHE 48 -0.843 -2.571 6.553 372 HB3 PHE 48 3HB PHE 48 -2.516 -2.555 7.018 373 HD1 PHE 48 2HD PHE 48 -2.250 0.561 8.050 374 HD2 PHE 48 1HD PHE 48 -1.435 -1.700 4.451 375 HE1 PHE 48 2HE PHE 48 -2.586 2.571 6.700 376 HE2 PHE 48 1HE PHE 48 -1.766 0.355 3.100 377 HZ PHE 48 HZ PHE 48 -2.380 2.444 4.217 378 H ASN 49 H ASN 49 -0.599 -3.847 10.203 379 HA ASN 49 HA ASN 49 -1.604 -5.273 11.516 380 HB2 ASN 49 2HB ASN 49 -2.837 -2.837 12.102 381 HB3 ASN 49 3HB ASN 49 -4.223 -3.882 11.823 382 HD21 ASN 49 1HD2 ASN 49 -4.611 -3.474 14.230 383 HD22 ASN 49 2HD2 ASN 49 -3.672 -4.452 15.347 384 H ARG 50 H ARG 50 -4.491 -4.128 9.702 385 HA ARG 50 HA ARG 50 -5.491 -6.759 9.271 386 HB2 ARG 50 2HB ARG 50 -7.031 -5.799 7.733 387 HB3 ARG 50 3HB ARG 50 -6.832 -4.677 9.084 388 HG2 ARG 50 2HG ARG 50 -5.253 -3.321 7.660 389 HG3 ARG 50 3HG ARG 50 -5.555 -4.467 6.341 390 HD2 ARG 50 2HD ARG 50 -6.924 -2.626 5.896 391 HD3 ARG 50 3HD ARG 50 -7.979 -3.917 6.438 392 HE ARG 50 HE ARG 50 -7.191 -1.439 7.874 393 HH11 ARG 50 2HH2 ARG 50 -9.218 -4.340 7.867 394 HH12 ARG 50 1HH2 ARG 50 -10.337 -3.750 9.042 395 HH21 ARG 50 2HH1 ARG 50 -8.697 -0.613 9.381 396 HH22 ARG 50 1HH1 ARG 50 -10.013 -1.575 9.948 397 H MET 51 H MET 51 -3.228 -4.813 7.226 398 HA MET 51 HA MET 51 -3.125 -6.820 5.164 399 HB2 MET 51 2HB MET 51 -1.414 -4.509 5.945 400 HB3 MET 51 3HB MET 51 -0.672 -5.750 4.928 401 HG2 MET 51 2HG MET 51 -1.641 -3.914 3.609 402 HG3 MET 51 3HG MET 51 -2.319 -5.493 3.220 403 HE1 MET 51 3HE MET 51 -5.167 -2.849 2.662 404 HE2 MET 51 1HE MET 51 -3.425 -2.503 2.534 405 HE3 MET 51 2HE MET 51 -4.082 -4.019 1.872 406 H LYS 52 H LYS 52 -1.100 -6.310 8.172 407 HA LYS 52 HA LYS 52 0.717 -8.345 7.531 408 HB2 LYS 52 2HB LYS 52 0.669 -6.620 9.533 409 HB3 LYS 52 3HB LYS 52 -0.215 -7.890 10.385 410 HG2 LYS 52 2HG LYS 52 1.621 -9.514 9.727 411 HG3 LYS 52 3HG LYS 52 2.509 -8.156 9.011 412 HD2 LYS 52 2HD LYS 52 2.505 -7.031 11.231 413 HD3 LYS 52 3HD LYS 52 1.732 -8.463 11.940 414 HE2 LYS 52 2HE LYS 52 4.425 -8.391 10.493 415 HE3 LYS 52 3HE LYS 52 4.218 -8.480 12.248 416 HZ1 LYS 52 3HZ LYS 52 3.291 -10.537 10.337 417 HZ2 LYS 52 1HZ LYS 52 4.658 -10.637 11.238 418 HZ3 LYS 52 2HZ LYS 52 3.188 -10.625 11.977 419 H THR 53 H THR 53 -2.541 -8.513 8.886 420 HA THR 53 HA THR 53 -2.243 -11.329 9.613 421 HB THR 53 HB THR 53 -4.681 -11.003 10.291 422 HG1 THR 53 1HG THR 53 -4.142 -8.266 10.023 423 HG21 THR 53 1HG2 THR 53 -2.526 -9.091 11.311 424 HG22 THR 53 2HG2 THR 53 -3.990 -9.563 12.210 425 HG23 THR 53 3HG2 THR 53 -2.747 -10.776 11.814 426 H ILE 54 H ILE 54 -3.855 -9.462 7.047 427 HA ILE 54 HA ILE 54 -5.229 -11.729 5.923 428 HB ILE 54 HB ILE 54 -4.563 -8.933 4.912 429 HG12 ILE 54 2HG1 ILE 54 -7.261 -10.110 5.721 430 HG13 ILE 54 3HG1 ILE 54 -6.192 -9.381 6.905 431 HG21 ILE 54 1HG2 ILE 54 -4.876 -10.329 2.916 432 HG22 ILE 54 2HG2 ILE 54 -6.374 -11.002 3.591 433 HG23 ILE 54 3HG2 ILE 54 -6.279 -9.288 3.137 434 HD11 ILE 54 3HD1 ILE 54 -7.712 -7.675 6.276 435 HD12 ILE 54 1HD1 ILE 54 -6.189 -7.260 5.456 436 HD13 ILE 54 2HD1 ILE 54 -7.514 -8.019 4.560 437 H SER 55 H SER 55 -2.103 -10.237 5.426 438 HA SER 55 HA SER 55 -1.529 -12.000 3.090 439 HB2 SER 55 2HB SER 55 -0.463 -9.455 4.054 440 HB3 SER 55 3HB SER 55 0.835 -10.644 3.938 441 HG SER 55 HG SER 55 0.427 -9.524 1.964 442 H THR 56 H THR 56 -0.724 -11.600 6.489 443 HA THR 56 HA THR 56 0.408 -12.887 7.948 444 HB THR 56 HB THR 56 -0.123 -15.072 5.908 445 HG1 THR 56 1HG THR 56 -1.772 -13.708 7.630 446 HG21 THR 56 1HG2 THR 56 1.392 -15.991 7.543 447 HG22 THR 56 2HG2 THR 56 0.552 -15.169 8.881 448 HG23 THR 56 3HG2 THR 56 -0.233 -16.509 8.016 449 H ASP 57 H ASP 57 1.833 -12.108 4.911 450 HA ASP 57 HA ASP 57 4.496 -12.855 5.815 451 HB2 ASP 57 2HB ASP 57 3.496 -14.838 4.628 452 HB3 ASP 57 3HB ASP 57 3.197 -13.809 3.220 453 H LEU 58 H LEU 58 5.935 -11.450 4.933 454 HA LEU 58 HA LEU 58 4.993 -8.941 3.745 455 HB2 LEU 58 2HB LEU 58 7.758 -9.994 4.438 456 HB3 LEU 58 3HB LEU 58 7.513 -8.528 3.497 457 HG LEU 58 HG LEU 58 5.780 -8.129 5.650 458 HD11 LEU 58 1HD1 LEU 58 8.399 -9.279 6.702 459 HD12 LEU 58 2HD1 LEU 58 7.130 -8.492 7.663 460 HD13 LEU 58 3HD1 LEU 58 6.800 -10.043 6.862 461 HD21 LEU 58 3HD2 LEU 58 8.654 -7.189 5.277 462 HD22 LEU 58 1HD2 LEU 58 7.197 -6.446 4.582 463 HD23 LEU 58 2HD2 LEU 58 7.445 -6.430 6.336 464 H GLN 59 H GLN 59 6.024 -11.958 2.557 465 HA GLN 59 HA GLN 59 7.068 -11.283 -0.005 466 HB2 GLN 59 2HB GLN 59 7.179 -13.522 1.255 467 HB3 GLN 59 3HB GLN 59 5.483 -13.740 0.842 468 HG2 GLN 59 2HG GLN 59 6.620 -14.978 -0.782 469 HG3 GLN 59 3HG GLN 59 6.156 -13.497 -1.621 470 HE21 GLN 59 1HE2 GLN 59 7.864 -13.558 -3.202 471 HE22 GLN 59 2HE2 GLN 59 9.549 -13.438 -2.700 472 H LEU 60 H LEU 60 3.806 -12.255 1.160 473 HA LEU 60 HA LEU 60 2.551 -11.845 -1.414 474 HB2 LEU 60 2HB LEU 60 1.791 -12.806 1.264 475 HB3 LEU 60 3HB LEU 60 0.584 -11.729 0.601 476 HG LEU 60 HG LEU 60 0.234 -14.162 0.176 477 HD11 LEU 60 1HD1 LEU 60 -0.652 -13.759 -2.095 478 HD12 LEU 60 2HD1 LEU 60 -1.012 -12.422 -0.979 479 HD13 LEU 60 3HD1 LEU 60 0.283 -12.249 -2.182 480 HD21 LEU 60 3HD2 LEU 60 1.357 -15.276 -1.615 481 HD22 LEU 60 1HD2 LEU 60 2.262 -13.839 -2.067 482 HD23 LEU 60 2HD2 LEU 60 2.620 -14.658 -0.528 483 H ILE 61 H ILE 61 3.190 -9.765 1.376 484 HA ILE 61 HA ILE 61 1.488 -7.584 0.550 485 HB ILE 61 HB ILE 61 4.028 -7.583 2.187 486 HG12 ILE 61 2HG1 ILE 61 1.116 -7.142 2.968 487 HG13 ILE 61 3HG1 ILE 61 1.853 -8.753 2.963 488 HG21 ILE 61 1HG2 ILE 61 2.079 -5.361 1.442 489 HG22 ILE 61 2HG2 ILE 61 3.162 -5.243 2.840 490 HG23 ILE 61 3HG2 ILE 61 3.840 -5.366 1.223 491 HD11 ILE 61 3HD1 ILE 61 1.814 -7.334 5.151 492 HD12 ILE 61 1HD1 ILE 61 3.175 -8.391 4.735 493 HD13 ILE 61 2HD1 ILE 61 3.312 -6.652 4.447 494 H THR 62 H THR 62 4.890 -8.472 -0.176 495 HA THR 62 HA THR 62 5.395 -6.065 -1.708 496 HB THR 62 HB THR 62 6.841 -8.750 -1.622 497 HG1 THR 62 1HG THR 62 7.380 -6.272 -0.339 498 HG21 THR 62 1HG2 THR 62 7.777 -6.054 -2.711 499 HG22 THR 62 2HG2 THR 62 8.811 -7.477 -2.452 500 HG23 THR 62 3HG2 THR 62 7.513 -7.540 -3.653 501 H GLU 63 H GLU 63 4.392 -9.372 -2.497 502 HA GLU 63 HA GLU 63 4.502 -8.958 -5.355 503 HB2 GLU 63 2HB GLU 63 4.602 -11.204 -4.260 504 HB3 GLU 63 3HB GLU 63 2.928 -10.988 -3.702 505 HG2 GLU 63 2HG GLU 63 2.181 -10.790 -6.072 506 HG3 GLU 63 3HG GLU 63 3.860 -10.957 -6.607 507 H ALA 64 H ALA 64 2.041 -8.465 -2.845 508 HA ALA 64 HA ALA 64 -0.175 -8.143 -4.631 509 HB1 ALA 64 1HB ALA 64 0.364 -6.839 -1.925 510 HB2 ALA 64 2HB ALA 64 -1.191 -6.839 -2.788 511 HB3 ALA 64 3HB ALA 64 -0.482 -8.371 -2.232 512 H LEU 65 H LEU 65 2.270 -5.820 -3.352 513 HA LEU 65 HA LEU 65 1.189 -3.552 -4.726 514 HB2 LEU 65 2HB LEU 65 3.970 -4.182 -3.709 515 HB3 LEU 65 3HB LEU 65 3.480 -2.604 -4.312 516 HG LEU 65 HG LEU 65 1.969 -3.949 -2.064 517 HD11 LEU 65 1HD1 LEU 65 3.376 -3.069 -0.478 518 HD12 LEU 65 2HD1 LEU 65 4.511 -3.664 -1.663 519 HD13 LEU 65 3HD1 LEU 65 4.165 -1.918 -1.618 520 HD21 LEU 65 3HD2 LEU 65 0.941 -1.932 -1.674 521 HD22 LEU 65 1HD2 LEU 65 2.286 -0.959 -2.251 522 HD23 LEU 65 2HD2 LEU 65 1.193 -1.742 -3.414 523 H LYS 66 H LYS 66 3.552 -6.097 -5.599 524 HA LYS 66 HA LYS 66 4.367 -4.857 -8.058 525 HB2 LYS 66 2HB LYS 66 5.481 -6.810 -6.751 526 HB3 LYS 66 3HB LYS 66 4.352 -7.847 -7.655 527 HG2 LYS 66 2HG LYS 66 5.180 -6.755 -9.779 528 HG3 LYS 66 3HG LYS 66 6.344 -5.833 -8.817 529 HD2 LYS 66 2HD LYS 66 7.507 -7.863 -8.172 530 HD3 LYS 66 3HD LYS 66 6.238 -8.874 -8.916 531 HE2 LYS 66 2HE LYS 66 6.697 -7.829 -11.119 532 HE3 LYS 66 3HE LYS 66 7.975 -6.843 -10.397 533 HZ1 LYS 66 3HZ LYS 66 7.971 -9.795 -10.510 534 HZ2 LYS 66 1HZ LYS 66 8.828 -8.806 -11.507 535 HZ3 LYS 66 2HZ LYS 66 9.181 -8.853 -9.902 536 H LYS 67 H LYS 67 1.542 -6.774 -7.244 537 HA LYS 67 HA LYS 67 0.701 -6.709 -10.107 538 HB2 LYS 67 2HB LYS 67 0.137 -8.454 -7.745 539 HB3 LYS 67 3HB LYS 67 -1.263 -8.102 -8.747 540 HG2 LYS 67 2HG LYS 67 -0.109 -8.869 -10.757 541 HG3 LYS 67 3HG LYS 67 1.331 -9.278 -9.796 542 HD2 LYS 67 2HD LYS 67 0.138 -10.971 -8.573 543 HD3 LYS 67 3HD LYS 67 -1.434 -10.392 -9.159 544 HE2 LYS 67 2HE LYS 67 -0.853 -11.046 -11.463 545 HE3 LYS 67 3HE LYS 67 0.725 -11.636 -10.912 546 HZ1 LYS 67 3HZ LYS 67 -0.442 -13.282 -9.560 547 HZ2 LYS 67 1HZ LYS 67 -1.904 -12.735 -10.049 548 HZ3 LYS 67 2HZ LYS 67 -0.966 -13.429 -11.106 549 H SER 68 H SER 68 0.736 -4.238 -8.193 550 HA SER 68 HA SER 68 -1.734 -3.730 -7.188 551 HB2 SER 68 2HB SER 68 0.391 -1.902 -8.334 552 HB3 SER 68 3HB SER 68 -1.145 -1.261 -7.723 553 HG SER 68 HG SER 68 0.938 -2.392 -6.370 554 H THR 69 H THR 69 -3.482 -2.450 -7.741 555 HA THR 69 HA THR 69 -4.283 -2.772 -10.566 556 HB THR 69 HB THR 69 -5.608 -4.003 -9.037 557 HG1 THR 69 1HG THR 69 -6.778 -3.091 -10.656 558 HG21 THR 69 1HG2 THR 69 -6.358 -1.463 -7.516 559 HG22 THR 69 2HG2 THR 69 -6.930 -3.101 -7.217 560 HG23 THR 69 3HG2 THR 69 -5.252 -2.710 -6.887 561 H ARG 70 H ARG 70 -4.649 -0.282 -7.952 562 HA ARG 70 HA ARG 70 -4.917 1.763 -10.130 563 HB2 ARG 70 2HB ARG 70 -6.113 1.509 -7.383 564 HB3 ARG 70 3HB ARG 70 -5.806 3.109 -8.018 565 HG2 ARG 70 2HG ARG 70 -8.064 2.606 -8.515 566 HG3 ARG 70 3HG ARG 70 -7.157 2.592 -10.023 567 HD2 ARG 70 2HD ARG 70 -7.073 -0.016 -9.669 568 HD3 ARG 70 3HD ARG 70 -8.360 0.270 -8.506 569 HE ARG 70 HE ARG 70 -9.802 0.844 -10.222 570 HH11 ARG 70 2HH2 ARG 70 -6.519 0.380 -11.542 571 HH12 ARG 70 1HH2 ARG 70 -6.971 0.673 -13.170 572 HH21 ARG 70 2HH1 ARG 70 -10.414 1.219 -12.434 573 HH22 ARG 70 1HH1 ARG 70 -9.244 1.106 -13.695 574 H LEU 71 H LEU 71 -2.563 0.468 -8.157 575 HA LEU 71 HA LEU 71 -1.272 3.085 -7.769 576 HB2 LEU 71 2HB LEU 71 -0.578 0.681 -6.103 577 HB3 LEU 71 3HB LEU 71 -0.388 2.387 -5.752 578 HG LEU 71 HG LEU 71 -2.982 0.811 -5.620 579 HD11 LEU 71 1HD1 LEU 71 -2.729 1.156 -3.191 580 HD12 LEU 71 2HD1 LEU 71 -1.317 0.297 -3.859 581 HD13 LEU 71 3HD1 LEU 71 -1.207 2.020 -3.452 582 HD21 LEU 71 3HD2 LEU 71 -3.359 3.279 -6.148 583 HD22 LEU 71 1HD2 LEU 71 -4.021 2.738 -4.606 584 HD23 LEU 71 2HD2 LEU 71 -2.509 3.651 -4.626 585 H GLN 72 H GLN 72 1.228 2.666 -7.781 586 HA GLN 72 HA GLN 72 1.976 0.381 -9.499 587 HB2 GLN 72 2HB GLN 72 1.790 3.205 -10.324 588 HB3 GLN 72 3HB GLN 72 3.439 2.601 -10.494 589 HG2 GLN 72 2HG GLN 72 1.018 1.120 -11.592 590 HG3 GLN 72 3HG GLN 72 1.959 2.300 -12.518 591 HE21 GLN 72 1HE2 GLN 72 2.961 0.916 -14.058 592 HE22 GLN 72 2HE2 GLN 72 4.052 -0.363 -13.543 593 H VAL 73 H VAL 73 3.811 -0.510 -8.784 594 HA VAL 73 HA VAL 73 5.242 0.858 -6.572 595 HB VAL 73 HB VAL 73 4.255 -1.279 -6.015 596 HG11 VAL 73 1HG1 VAL 73 4.323 -2.492 -8.138 597 HG12 VAL 73 2HG1 VAL 73 6.100 -2.492 -8.115 598 HG13 VAL 73 3HG1 VAL 73 5.212 -3.378 -6.869 599 HG21 VAL 73 3HG2 VAL 73 6.743 -0.517 -5.245 600 HG22 VAL 73 1HG2 VAL 73 5.965 -2.019 -4.702 601 HG23 VAL 73 2HG2 VAL 73 7.132 -2.045 -6.026 602 H SER 74 H SER 74 7.359 1.266 -6.673 603 HA SER 74 HA SER 74 8.732 1.141 -9.234 604 HB2 SER 74 2HB SER 74 9.003 2.567 -6.803 605 HB3 SER 74 3HB SER 74 10.473 1.594 -6.948 606 HG SER 74 HG SER 74 11.052 2.811 -8.593 607 H GLU 75 H GLU 75 10.731 -0.028 -9.627 608 HA GLU 75 HA GLU 75 10.560 -2.775 -8.962 609 HB2 GLU 75 2HB GLU 75 12.668 -0.969 -10.163 610 HB3 GLU 75 3HB GLU 75 12.981 -2.697 -9.927 611 HG2 GLU 75 2HG GLU 75 11.367 -3.378 -11.452 612 HG3 GLU 75 3HG GLU 75 10.384 -1.929 -11.250 613 H ASP 76 H ASP 76 11.663 -0.173 -6.975 614 HA ASP 76 HA ASP 76 13.616 -1.623 -5.415 615 HB2 ASP 76 2HB ASP 76 12.068 0.946 -5.250 616 HB3 ASP 76 3HB ASP 76 12.515 0.225 -3.713 617 H GLY 77 H GLY 77 10.068 -1.471 -5.587 618 HA2 GLY 77 2HA GLY 77 8.424 -2.377 -4.158 619 HA3 GLY 77 3HA GLY 77 9.621 -3.621 -3.743 620 H LYS 78 H LYS 78 10.115 -0.198 -3.310 621 HA LYS 78 HA LYS 78 9.443 -0.292 -0.401 622 HB2 LYS 78 2HB LYS 78 12.032 -0.192 -1.549 623 HB3 LYS 78 3HB LYS 78 11.716 1.466 -1.021 624 HG2 LYS 78 2HG LYS 78 11.311 0.726 1.255 625 HG3 LYS 78 3HG LYS 78 11.197 -0.968 0.730 626 HD2 LYS 78 2HD LYS 78 13.645 -0.651 -0.123 627 HD3 LYS 78 3HD LYS 78 13.680 0.744 0.980 628 HE2 LYS 78 2HE LYS 78 13.109 -0.692 2.871 629 HE3 LYS 78 3HE LYS 78 12.736 -2.043 1.788 630 HZ1 LYS 78 3HZ LYS 78 15.037 -2.139 1.158 631 HZ2 LYS 78 1HZ LYS 78 15.419 -0.883 2.153 632 HZ3 LYS 78 2HZ LYS 78 14.889 -2.310 2.788 633 H MET 79 H MET 79 8.612 1.078 -3.350 634 HA MET 79 HA MET 79 7.116 2.969 -1.871 635 HB2 MET 79 2HB MET 79 7.932 4.930 -3.424 636 HB3 MET 79 3HB MET 79 9.031 4.481 -2.108 637 HG2 MET 79 2HG MET 79 10.324 3.081 -3.708 638 HG3 MET 79 3HG MET 79 9.217 3.567 -4.996 639 HE1 MET 79 3HE MET 79 12.152 3.542 -5.279 640 HE2 MET 79 1HE MET 79 11.343 4.443 -6.584 641 HE3 MET 79 2HE MET 79 12.745 5.148 -5.750 642 H VAL 80 H VAL 80 5.330 3.709 -2.897 643 HA VAL 80 HA VAL 80 4.754 2.600 -5.544 644 HB VAL 80 HB VAL 80 2.999 2.254 -3.062 645 HG11 VAL 80 1HG1 VAL 80 1.696 0.720 -4.380 646 HG12 VAL 80 2HG1 VAL 80 1.822 2.226 -5.288 647 HG13 VAL 80 3HG1 VAL 80 2.824 0.826 -5.737 648 HG21 VAL 80 3HG2 VAL 80 5.121 0.492 -4.250 649 HG22 VAL 80 1HG2 VAL 80 4.727 0.776 -2.543 650 HG23 VAL 80 2HG2 VAL 80 3.717 -0.268 -3.570 651 H ARG 81 H ARG 81 2.974 3.740 -6.503 652 HA ARG 81 HA ARG 81 2.264 6.305 -5.128 653 HB2 ARG 81 2HB ARG 81 2.102 7.275 -7.472 654 HB3 ARG 81 3HB ARG 81 3.713 7.094 -6.795 655 HG2 ARG 81 2HG ARG 81 2.726 4.884 -8.574 656 HG3 ARG 81 3HG ARG 81 3.271 6.410 -9.282 657 HD2 ARG 81 2HD ARG 81 5.426 6.253 -8.113 658 HD3 ARG 81 3HD ARG 81 4.943 4.717 -7.377 659 HE ARG 81 HE ARG 81 4.652 4.475 -10.163 660 HH11 ARG 81 2HH2 ARG 81 7.227 4.838 -7.772 661 HH12 ARG 81 1HH2 ARG 81 8.425 3.976 -8.680 662 HH21 ARG 81 2HH1 ARG 81 6.254 3.300 -11.407 663 HH22 ARG 81 1HH1 ARG 81 7.851 3.106 -10.785 664 H ARG 82 H ARG 82 0.145 6.844 -5.157 665 HA ARG 82 HA ARG 82 -1.746 4.895 -6.231 666 HB2 ARG 82 2HB ARG 82 -3.465 6.392 -5.311 667 HB3 ARG 82 3HB ARG 82 -2.173 6.171 -4.130 668 HG2 ARG 82 2HG ARG 82 -1.160 8.343 -4.853 669 HG3 ARG 82 3HG ARG 82 -2.490 8.597 -5.970 670 HD2 ARG 82 2HD ARG 82 -2.976 8.079 -3.027 671 HD3 ARG 82 3HD ARG 82 -2.543 9.687 -3.609 672 HE ARG 82 HE ARG 82 -5.075 8.276 -3.864 673 HH11 ARG 82 2HH2 ARG 82 -3.084 10.836 -5.296 674 HH12 ARG 82 1HH2 ARG 82 -4.403 11.509 -6.213 675 HH21 ARG 82 2HH1 ARG 82 -6.795 9.189 -5.169 676 HH22 ARG 82 1HH1 ARG 82 -6.387 10.407 -6.310 677 H LEU 83 H LEU 83 -3.760 6.219 -7.351 678 HA LEU 83 HA LEU 83 -2.728 7.299 -9.887 679 HB2 LEU 83 2HB LEU 83 -5.185 5.959 -8.885 680 HB3 LEU 83 3HB LEU 83 -5.560 7.391 -9.827 681 HG LEU 83 HG LEU 83 -3.595 5.330 -10.877 682 HD11 LEU 83 1HD1 LEU 83 -5.594 4.119 -10.327 683 HD12 LEU 83 2HD1 LEU 83 -6.637 5.347 -11.078 684 HD13 LEU 83 3HD1 LEU 83 -5.561 4.343 -12.087 685 HD21 LEU 83 3HD2 LEU 83 -3.738 7.573 -11.989 686 HD22 LEU 83 1HD2 LEU 83 -4.291 6.261 -13.043 687 HD23 LEU 83 2HD2 LEU 83 -5.477 7.312 -12.244 688 H ASP 84 H ASP 84 -2.912 9.511 -10.304 689 HA ASP 84 HA ASP 84 -3.199 11.415 -8.327 690 HB2 ASP 84 2HB ASP 84 -3.034 11.393 -11.243 691 HB3 ASP 84 3HB ASP 84 -4.099 12.683 -10.679 692 HA PRO 85 HA PRO 85 -7.712 12.382 -9.408 693 HB2 PRO 85 2HB PRO 85 -9.267 10.577 -10.821 694 HB3 PRO 85 3HB PRO 85 -8.296 11.880 -11.576 695 HG2 PRO 85 2HG PRO 85 -7.524 8.975 -11.177 696 HG3 PRO 85 3HG PRO 85 -7.399 9.958 -12.675 697 HD2 PRO 85 2HD PRO 85 -5.271 9.589 -11.079 698 HD3 PRO 85 3HD PRO 85 -5.567 11.194 -11.810 699 H LEU 86 H LEU 86 -9.867 11.611 -8.480 700 HA LEU 86 HA LEU 86 -9.273 10.076 -6.131 701 HB2 LEU 86 2HB LEU 86 -11.574 10.279 -5.519 702 HB3 LEU 86 3HB LEU 86 -10.943 11.834 -6.008 703 HG LEU 86 HG LEU 86 -12.418 10.230 -8.107 704 HD11 LEU 86 1HD1 LEU 86 -13.767 11.606 -5.752 705 HD12 LEU 86 2HD1 LEU 86 -14.587 11.004 -7.213 706 HD13 LEU 86 3HD1 LEU 86 -13.789 9.864 -6.121 707 HD21 LEU 86 3HD2 LEU 86 -13.333 12.485 -8.632 708 HD22 LEU 86 1HD2 LEU 86 -12.407 13.172 -7.283 709 HD23 LEU 86 2HD2 LEU 86 -11.573 12.478 -8.692 710 HA PRO 87 HA PRO 87 -10.041 6.066 -7.785 711 HB2 PRO 87 2HB PRO 87 -10.447 4.620 -5.488 712 HB3 PRO 87 3HB PRO 87 -8.857 5.285 -5.972 713 HG2 PRO 87 2HG PRO 87 -10.805 6.406 -3.946 714 HG3 PRO 87 3HG PRO 87 -8.999 6.336 -3.890 715 HD2 PRO 87 2HD PRO 87 -10.434 8.570 -4.607 716 HD3 PRO 87 3HD PRO 87 -8.752 8.219 -5.119 717 H GLU 88 H GLU 88 -11.760 4.540 -8.150 718 HA GLU 88 HA GLU 88 -14.296 5.988 -8.119 719 HB2 GLU 88 2HB GLU 88 -12.959 4.936 -10.089 720 HB3 GLU 88 3HB GLU 88 -13.673 3.403 -9.587 721 HG2 GLU 88 2HG GLU 88 -15.911 4.249 -10.048 722 HG3 GLU 88 3HG GLU 88 -15.313 5.911 -10.155 723 H ASN 89 H ASN 89 -13.981 5.248 -5.612 724 HA ASN 89 HA ASN 89 -14.648 3.993 -3.823 725 HB2 ASN 89 2HB ASN 89 -16.940 3.211 -5.648 726 HB3 ASN 89 3HB ASN 89 -16.893 3.043 -3.902 727 HD21 ASN 89 1HD2 ASN 89 -18.454 4.851 -6.041 728 HD22 ASN 89 2HD2 ASN 89 -18.429 6.399 -5.201 729 H ILE 90 H ILE 90 -12.620 2.636 -4.854 730 HA ILE 90 HA ILE 90 -13.636 -0.073 -5.517 731 HB ILE 90 HB ILE 90 -10.975 1.328 -5.920 732 HG12 ILE 90 2HG1 ILE 90 -12.815 1.671 -7.581 733 HG13 ILE 90 3HG1 ILE 90 -11.304 1.050 -8.229 734 HG21 ILE 90 1HG2 ILE 90 -10.292 -0.856 -5.209 735 HG22 ILE 90 2HG2 ILE 90 -11.516 -1.651 -6.218 736 HG23 ILE 90 3HG2 ILE 90 -10.133 -0.805 -6.967 737 HD11 ILE 90 3HD1 ILE 90 -13.318 -0.041 -9.205 738 HD12 ILE 90 1HD1 ILE 90 -12.222 -1.196 -8.435 739 HD13 ILE 90 2HD1 ILE 90 -13.724 -0.703 -7.613 740 H ASP 91 H ASP 91 -13.223 -1.867 -4.126 741 HA ASP 91 HA ASP 91 -11.295 -1.726 -2.058 742 HB2 ASP 91 2HB ASP 91 -12.815 -2.046 -0.176 743 HB3 ASP 91 3HB ASP 91 -13.038 -0.469 -0.901 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -4.277 -18.732 0.981 2 H2 MET 1 H2 MET 1 -5.028 -20.202 0.857 3 H3 MET 1 H3 MET 1 -3.394 -20.058 0.600 4 HA MET 1 HA MET 1 -4.546 -20.289 -1.489 5 HB2 MET 1 2HB MET 1 -6.247 -18.244 -0.204 6 HB3 MET 1 3HB MET 1 -5.707 -17.770 -1.821 7 HG2 MET 1 2HG MET 1 -6.997 -20.440 -1.158 8 HG3 MET 1 3HG MET 1 -7.832 -19.053 -1.856 9 HE1 MET 1 1HE MET 1 -8.725 -20.059 -3.981 10 HE2 MET 1 2HE MET 1 -7.836 -21.211 -5.002 11 HE3 MET 1 3HE MET 1 -8.223 -21.632 -3.317 12 H SER 2 H SER 2 -3.882 -18.844 -3.436 13 HA SER 2 HA SER 2 -1.559 -17.139 -2.692 14 HB2 SER 2 2HB SER 2 -0.913 -17.695 -5.109 15 HB3 SER 2 3HB SER 2 -0.799 -19.017 -3.926 16 HG SER 2 HG SER 2 -1.885 -19.649 -5.857 17 H GLU 3 H GLU 3 -3.543 -17.439 -5.645 18 HA GLU 3 HA GLU 3 -3.587 -14.589 -6.032 19 HB2 GLU 3 2HB GLU 3 -4.019 -16.892 -7.580 20 HB3 GLU 3 3HB GLU 3 -5.635 -16.187 -7.485 21 HG2 GLU 3 2HG GLU 3 -4.783 -14.053 -8.358 22 HG3 GLU 3 3HG GLU 3 -3.120 -14.657 -8.285 23 H GLU 4 H GLU 4 -5.947 -16.782 -4.545 24 HA GLU 4 HA GLU 4 -8.044 -14.835 -4.448 25 HB2 GLU 4 2HB GLU 4 -7.947 -17.429 -3.891 26 HB3 GLU 4 3HB GLU 4 -7.637 -16.859 -2.249 27 HG2 GLU 4 2HG GLU 4 -9.991 -15.817 -3.867 28 HG3 GLU 4 3HG GLU 4 -10.075 -17.384 -3.066 29 H THR 5 H THR 5 -5.488 -15.690 -1.994 30 HA THR 5 HA THR 5 -6.157 -13.684 -0.173 31 HB THR 5 HB THR 5 -3.295 -14.501 -0.712 32 HG1 THR 5 1HG THR 5 -3.580 -16.430 0.095 33 HG21 THR 5 1HG2 THR 5 -3.189 -14.591 1.756 34 HG22 THR 5 2HG2 THR 5 -3.789 -13.013 1.214 35 HG23 THR 5 3HG2 THR 5 -4.927 -14.227 1.845 36 H SER 6 H SER 6 -3.907 -13.660 -2.925 37 HA SER 6 HA SER 6 -2.750 -11.132 -2.348 38 HB2 SER 6 2HB SER 6 -1.798 -13.007 -3.768 39 HB3 SER 6 3HB SER 6 -2.917 -12.520 -5.057 40 HG SER 6 HG SER 6 -0.680 -11.616 -5.010 41 H THR 7 H THR 7 -5.488 -12.124 -4.365 42 HA THR 7 HA THR 7 -6.031 -9.421 -5.226 43 HB THR 7 HB THR 7 -7.846 -11.879 -5.214 44 HG1 THR 7 1HG THR 7 -6.212 -12.274 -6.556 45 HG21 THR 7 1HG2 THR 7 -9.078 -10.688 -7.029 46 HG22 THR 7 2HG2 THR 7 -9.227 -9.862 -5.470 47 HG23 THR 7 3HG2 THR 7 -8.110 -9.232 -6.710 48 H GLN 8 H GLN 8 -7.184 -11.323 -2.488 49 HA GLN 8 HA GLN 8 -9.255 -9.510 -1.616 50 HB2 GLN 8 2HB GLN 8 -7.429 -11.536 -0.251 51 HB3 GLN 8 3HB GLN 8 -8.572 -10.594 0.672 52 HG2 GLN 8 2HG GLN 8 -9.437 -12.251 -1.737 53 HG3 GLN 8 3HG GLN 8 -9.262 -12.961 -0.128 54 HE21 GLN 8 1HE2 GLN 8 -11.615 -13.373 -0.826 55 HE22 GLN 8 2HE2 GLN 8 -12.794 -12.195 -0.223 56 H ILE 9 H ILE 9 -5.742 -9.683 -1.218 57 HA ILE 9 HA ILE 9 -5.858 -7.562 0.803 58 HB ILE 9 HB ILE 9 -4.146 -9.551 0.592 59 HG12 ILE 9 2HG1 ILE 9 -3.340 -6.720 1.395 60 HG13 ILE 9 3HG1 ILE 9 -4.390 -7.767 2.356 61 HG21 ILE 9 1HG2 ILE 9 -3.148 -8.779 -1.598 62 HG22 ILE 9 2HG2 ILE 9 -2.508 -7.369 -0.739 63 HG23 ILE 9 3HG2 ILE 9 -1.997 -9.021 -0.313 64 HD11 ILE 9 3HD1 ILE 9 -1.470 -8.262 1.660 65 HD12 ILE 9 1HD1 ILE 9 -2.175 -7.985 3.245 66 HD13 ILE 9 2HD1 ILE 9 -2.564 -9.489 2.383 67 H LEU 10 H LEU 10 -5.133 -8.002 -2.601 68 HA LEU 10 HA LEU 10 -4.066 -5.466 -3.115 69 HB2 LEU 10 2HB LEU 10 -4.686 -7.586 -4.739 70 HB3 LEU 10 3HB LEU 10 -6.003 -6.518 -5.151 71 HG LEU 10 HG LEU 10 -3.008 -6.156 -5.468 72 HD11 LEU 10 1HD1 LEU 10 -5.455 -5.954 -7.282 73 HD12 LEU 10 2HD1 LEU 10 -3.789 -5.616 -7.795 74 HD13 LEU 10 3HD1 LEU 10 -4.231 -7.236 -7.257 75 HD21 LEU 10 3HD2 LEU 10 -3.589 -3.785 -6.253 76 HD22 LEU 10 1HD2 LEU 10 -5.088 -3.965 -5.324 77 HD23 LEU 10 2HD2 LEU 10 -3.506 -4.033 -4.530 78 H LYS 11 H LYS 11 -7.495 -6.515 -3.181 79 HA LYS 11 HA LYS 11 -8.577 -3.922 -3.702 80 HB2 LYS 11 2HB LYS 11 -9.660 -6.553 -2.686 81 HB3 LYS 11 3HB LYS 11 -10.599 -5.106 -2.323 82 HG2 LYS 11 2HG LYS 11 -11.416 -6.023 -4.395 83 HG3 LYS 11 3HG LYS 11 -10.632 -4.467 -4.693 84 HD2 LYS 11 2HD LYS 11 -8.541 -5.771 -5.367 85 HD3 LYS 11 3HD LYS 11 -9.534 -7.239 -5.293 86 HE2 LYS 11 2HE LYS 11 -10.356 -6.777 -7.355 87 HE3 LYS 11 3HE LYS 11 -11.016 -5.253 -6.731 88 HZ1 LYS 11 3HZ LYS 11 -8.929 -4.204 -7.164 89 HZ2 LYS 11 1HZ LYS 11 -8.269 -5.581 -7.745 90 HZ3 LYS 11 2HZ LYS 11 -9.510 -4.844 -8.554 91 H GLN 12 H GLN 12 -7.449 -5.427 -0.818 92 HA GLN 12 HA GLN 12 -8.614 -3.289 0.819 93 HB2 GLN 12 2HB GLN 12 -6.903 -5.646 1.495 94 HB3 GLN 12 3HB GLN 12 -7.111 -4.325 2.664 95 HG2 GLN 12 2HG GLN 12 -9.407 -5.844 1.338 96 HG3 GLN 12 3HG GLN 12 -8.803 -6.133 2.972 97 HE21 GLN 12 1HE2 GLN 12 -10.919 -4.050 1.009 98 HE22 GLN 12 2HE2 GLN 12 -11.322 -2.977 2.315 99 H VAL 13 H VAL 13 -5.580 -3.649 -0.906 100 HA VAL 13 HA VAL 13 -4.265 -1.546 0.652 101 HB VAL 13 HB VAL 13 -3.729 -2.897 -2.014 102 HG11 VAL 13 1HG1 VAL 13 -1.969 -0.864 -0.552 103 HG12 VAL 13 2HG1 VAL 13 -1.507 -1.793 -1.997 104 HG13 VAL 13 3HG1 VAL 13 -2.791 -0.582 -2.092 105 HG21 VAL 13 3HG2 VAL 13 -1.856 -3.944 -0.853 106 HG22 VAL 13 1HG2 VAL 13 -2.162 -2.975 0.604 107 HG23 VAL 13 2HG2 VAL 13 -3.314 -4.219 0.107 108 H GLU 14 H GLU 14 -5.989 -1.855 -2.511 109 HA GLU 14 HA GLU 14 -5.799 0.919 -3.056 110 HB2 GLU 14 2HB GLU 14 -7.317 0.556 -4.838 111 HB3 GLU 14 3HB GLU 14 -6.261 -0.885 -4.723 112 HG2 GLU 14 2HG GLU 14 -8.008 -2.033 -3.540 113 HG3 GLU 14 3HG GLU 14 -9.150 -0.715 -3.876 114 H TYR 15 H TYR 15 -8.203 -0.927 -1.178 115 HA TYR 15 HA TYR 15 -10.147 1.057 -0.886 116 HB2 TYR 15 2HB TYR 15 -10.758 -1.091 -0.223 117 HB3 TYR 15 3HB TYR 15 -9.208 -1.381 0.555 118 HD1 TYR 15 HD2 TYR 15 -12.380 0.518 0.972 119 HD2 TYR 15 HD1 TYR 15 -8.785 -1.016 2.791 120 HE1 TYR 15 HE2 TYR 15 -13.119 1.379 3.152 121 HE2 TYR 15 HE1 TYR 15 -9.456 -0.108 4.946 122 HH TYR 15 HH TYR 15 -12.278 2.043 5.231 123 H TYR 16 H TYR 16 -7.183 0.393 1.105 124 HA TYR 16 HA TYR 16 -7.679 2.556 2.949 125 HB2 TYR 16 2HB TYR 16 -5.253 0.962 2.185 126 HB3 TYR 16 3HB TYR 16 -5.006 2.511 2.949 127 HD1 TYR 16 HD1 TYR 16 -6.477 -0.833 3.442 128 HD2 TYR 16 HD2 TYR 16 -5.573 2.940 5.294 129 HE1 TYR 16 HE1 TYR 16 -6.530 -1.921 5.660 130 HE2 TYR 16 HE2 TYR 16 -5.636 1.895 7.504 131 HH TYR 16 HH TYR 16 -5.739 -0.133 8.662 132 H PHE 17 H PHE 17 -6.255 2.543 -0.296 133 HA PHE 17 HA PHE 17 -5.389 5.317 0.015 134 HB2 PHE 17 2HB PHE 17 -5.388 3.319 -2.265 135 HB3 PHE 17 3HB PHE 17 -4.926 4.987 -2.503 136 HD1 PHE 17 1HD PHE 17 -4.025 2.421 0.194 137 HD2 PHE 17 2HD PHE 17 -2.665 5.213 -2.793 138 HE1 PHE 17 1HE PHE 17 -1.700 1.822 0.691 139 HE2 PHE 17 2HE PHE 17 -0.337 4.565 -2.336 140 HZ PHE 17 HZ PHE 17 0.164 2.860 -0.578 141 H SER 18 H SER 18 -8.297 3.733 -0.897 142 HA SER 18 HA SER 18 -9.175 5.840 -2.734 143 HB2 SER 18 2HB SER 18 -9.165 3.481 -3.462 144 HB3 SER 18 3HB SER 18 -10.153 3.026 -2.060 145 HG SER 18 HG SER 18 -11.686 3.283 -3.410 146 H ASP 19 H ASP 19 -9.995 4.450 0.377 147 HA ASP 19 HA ASP 19 -12.708 5.412 0.546 148 HB2 ASP 19 2HB ASP 19 -11.753 3.309 1.415 149 HB3 ASP 19 3HB ASP 19 -10.728 4.221 2.524 150 H SER 20 H SER 20 -10.606 7.493 0.144 151 HA SER 20 HA SER 20 -9.550 9.273 0.989 152 HB2 SER 20 2HB SER 20 -12.308 9.572 1.089 153 HB3 SER 20 3HB SER 20 -11.786 10.168 2.672 154 HG SER 20 HG SER 20 -11.021 11.016 0.080 155 H ASN 21 H ASN 21 -9.328 6.768 2.774 156 HA ASN 21 HA ASN 21 -9.002 7.870 5.414 157 HB2 ASN 21 2HB ASN 21 -7.930 5.339 4.124 158 HB3 ASN 21 3HB ASN 21 -7.499 5.834 5.766 159 HD21 ASN 21 1HD2 ASN 21 -9.462 3.661 4.411 160 HD22 ASN 21 2HD2 ASN 21 -10.955 3.961 5.253 161 H PHE 22 H PHE 22 -6.844 7.705 2.547 162 HA PHE 22 HA PHE 22 -4.481 8.101 3.646 163 HB2 PHE 22 2HB PHE 22 -5.471 8.204 1.132 164 HB3 PHE 22 3HB PHE 22 -5.054 9.900 1.313 165 HD1 PHE 22 1HD PHE 22 -2.603 10.172 2.639 166 HD2 PHE 22 2HD PHE 22 -3.866 6.905 0.110 167 HE1 PHE 22 1HE PHE 22 -0.278 9.530 2.303 168 HE2 PHE 22 2HE PHE 22 -1.535 6.270 -0.221 169 HZ PHE 22 HZ PHE 22 0.303 7.567 0.850 170 HA PRO 23 HA PRO 23 -4.667 12.851 4.149 171 HB2 PRO 23 2HB PRO 23 -7.135 14.081 4.461 172 HB3 PRO 23 3HB PRO 23 -6.239 13.971 2.914 173 HG2 PRO 23 2HG PRO 23 -8.431 12.135 3.928 174 HG3 PRO 23 3HG PRO 23 -8.297 12.910 2.314 175 HD2 PRO 23 2HD PRO 23 -7.493 10.373 2.629 176 HD3 PRO 23 3HD PRO 23 -6.487 11.507 1.694 177 H ARG 24 H ARG 24 -7.123 10.789 5.613 178 HA ARG 24 HA ARG 24 -7.195 12.198 8.145 179 HB2 ARG 24 2HB ARG 24 -8.951 10.650 6.794 180 HB3 ARG 24 3HB ARG 24 -8.176 9.371 7.728 181 HG2 ARG 24 2HG ARG 24 -8.633 11.059 9.768 182 HG3 ARG 24 3HG ARG 24 -9.841 11.714 8.645 183 HD2 ARG 24 2HD ARG 24 -10.705 9.311 8.385 184 HD3 ARG 24 3HD ARG 24 -9.611 8.878 9.716 185 HE ARG 24 HE ARG 24 -11.401 11.123 10.260 186 HH11 ARG 24 2HH2 ARG 24 -11.073 7.614 10.396 187 HH12 ARG 24 1HH2 ARG 24 -12.271 7.376 11.617 188 HH21 ARG 24 2HH1 ARG 24 -13.052 10.845 11.868 189 HH22 ARG 24 1HH1 ARG 24 -13.435 9.273 12.461 190 H ASP 25 H ASP 25 -5.442 9.430 6.790 191 HA ASP 25 HA ASP 25 -4.869 8.340 9.454 192 HB2 ASP 25 2HB ASP 25 -4.643 7.313 6.618 193 HB3 ASP 25 3HB ASP 25 -3.671 6.589 7.903 194 H LYS 26 H LYS 26 -3.461 9.792 10.255 195 HA LYS 26 HA LYS 26 -1.106 10.751 9.151 196 HB2 LYS 26 2HB LYS 26 -0.240 11.107 11.321 197 HB3 LYS 26 3HB LYS 26 -1.963 11.444 11.352 198 HG2 LYS 26 2HG LYS 26 -0.674 8.866 12.384 199 HG3 LYS 26 3HG LYS 26 -1.064 10.274 13.365 200 HD2 LYS 26 2HD LYS 26 -3.482 10.024 12.700 201 HD3 LYS 26 3HD LYS 26 -3.050 8.470 11.937 202 HE2 LYS 26 2HE LYS 26 -2.160 7.637 14.069 203 HE3 LYS 26 3HE LYS 26 -2.503 9.191 14.844 204 HZ1 LYS 26 3HZ LYS 26 -4.539 7.377 13.706 205 HZ2 LYS 26 1HZ LYS 26 -4.211 7.568 15.306 206 HZ3 LYS 26 2HZ LYS 26 -4.843 8.816 14.445 207 H PHE 27 H PHE 27 -1.758 7.454 9.997 208 HA PHE 27 HA PHE 27 0.892 6.358 10.069 209 HB2 PHE 27 2HB PHE 27 -1.381 5.287 10.643 210 HB3 PHE 27 3HB PHE 27 -1.622 5.076 8.915 211 HD1 PHE 27 2HD PHE 27 0.410 4.173 11.860 212 HD2 PHE 27 1HD PHE 27 -0.251 3.403 7.665 213 HE1 PHE 27 2HE PHE 27 1.845 2.182 12.003 214 HE2 PHE 27 1HE PHE 27 1.173 1.383 7.824 215 HZ PHE 27 HZ PHE 27 2.210 0.744 9.997 216 H LEU 28 H LEU 28 -1.420 6.769 7.333 217 HA LEU 28 HA LEU 28 0.518 5.808 5.359 218 HB2 LEU 28 2HB LEU 28 -2.107 7.343 5.194 219 HB3 LEU 28 3HB LEU 28 -1.059 7.140 3.805 220 HG LEU 28 HG LEU 28 -1.350 4.526 4.930 221 HD11 LEU 28 1HD1 LEU 28 -3.980 6.046 4.588 222 HD12 LEU 28 2HD1 LEU 28 -3.856 4.292 4.613 223 HD13 LEU 28 3HD1 LEU 28 -3.401 5.213 6.050 224 HD21 LEU 28 3HD2 LEU 28 -2.266 4.038 2.706 225 HD22 LEU 28 1HD2 LEU 28 -2.686 5.725 2.481 226 HD23 LEU 28 2HD2 LEU 28 -0.974 5.222 2.523 227 H ARG 29 H ARG 29 -0.744 8.935 6.323 228 HA ARG 29 HA ARG 29 0.632 10.573 4.613 229 HB2 ARG 29 2HB ARG 29 -1.271 11.039 6.397 230 HB3 ARG 29 3HB ARG 29 0.087 11.431 7.461 231 HG2 ARG 29 2HG ARG 29 -0.646 13.474 6.523 232 HG3 ARG 29 3HG ARG 29 0.858 13.090 5.672 233 HD2 ARG 29 2HD ARG 29 -0.411 12.234 3.748 234 HD3 ARG 29 3HD ARG 29 -1.938 12.421 4.613 235 HE ARG 29 HE ARG 29 -0.334 14.453 3.289 236 HH11 ARG 29 2HH2 ARG 29 -2.950 13.903 5.663 237 HH12 ARG 29 1HH2 ARG 29 -3.523 15.516 5.619 238 HH21 ARG 29 2HH1 ARG 29 -1.119 16.623 3.226 239 HH22 ARG 29 1HH1 ARG 29 -2.467 17.104 4.189 240 H SER 30 H SER 30 1.823 9.209 7.682 241 HA SER 30 HA SER 30 4.114 10.891 7.931 242 HB2 SER 30 2HB SER 30 3.198 9.476 9.759 243 HB3 SER 30 3HB SER 30 3.628 8.012 8.853 244 HG SER 30 HG SER 30 5.189 8.538 10.410 245 H GLU 31 H GLU 31 3.557 7.807 6.136 246 HA GLU 31 HA GLU 31 6.399 7.810 5.334 247 HB2 GLU 31 2HB GLU 31 4.810 5.766 5.686 248 HB3 GLU 31 3HB GLU 31 4.248 6.135 4.057 249 HG2 GLU 31 2HG GLU 31 5.921 4.500 3.860 250 HG3 GLU 31 3HG GLU 31 6.685 5.996 3.303 251 H ALA 32 H ALA 32 3.272 8.618 3.851 252 HA ALA 32 HA ALA 32 4.188 9.194 1.241 253 HB1 ALA 32 1HB ALA 32 1.987 10.484 2.902 254 HB2 ALA 32 2HB ALA 32 2.108 10.530 1.144 255 HB3 ALA 32 3HB ALA 32 1.855 8.976 1.954 256 H ALA 33 H ALA 33 4.368 11.085 4.229 257 HA ALA 33 HA ALA 33 4.922 13.629 3.218 258 HB1 ALA 33 1HB ALA 33 4.292 13.284 5.524 259 HB2 ALA 33 2HB ALA 33 5.732 12.293 5.831 260 HB3 ALA 33 3HB ALA 33 5.895 14.030 5.494 261 H LYS 34 H LYS 34 7.019 10.893 2.765 262 HA LYS 34 HA LYS 34 9.446 12.508 2.828 263 HB2 LYS 34 2HB LYS 34 8.650 9.662 2.037 264 HB3 LYS 34 3HB LYS 34 10.191 10.356 1.577 265 HG2 LYS 34 2HG LYS 34 10.720 9.278 3.577 266 HG3 LYS 34 3HG LYS 34 10.497 10.953 4.093 267 HD2 LYS 34 2HD LYS 34 8.077 10.292 4.704 268 HD3 LYS 34 3HD LYS 34 8.558 8.619 4.347 269 HE2 LYS 34 2HE LYS 34 10.459 9.007 6.038 270 HE3 LYS 34 3HE LYS 34 9.600 10.502 6.482 271 HZ1 LYS 34 3HZ LYS 34 8.950 8.651 7.901 272 HZ2 LYS 34 1HZ LYS 34 7.667 9.116 6.978 273 HZ3 LYS 34 2HZ LYS 34 8.503 7.773 6.600 274 H ASN 35 H ASN 35 7.007 11.362 0.446 275 HA ASN 35 HA ASN 35 8.021 13.414 -1.420 276 HB2 ASN 35 2HB ASN 35 7.754 10.495 -2.196 277 HB3 ASN 35 3HB ASN 35 7.949 11.835 -3.329 278 HD21 ASN 35 1HD2 ASN 35 10.026 12.979 -3.434 279 HD22 ASN 35 2HD2 ASN 35 11.423 12.274 -2.642 280 H VAL 36 H VAL 36 5.945 13.935 -0.054 281 HA VAL 36 HA VAL 36 3.848 14.685 -0.180 282 HB VAL 36 HB VAL 36 4.391 14.223 -3.119 283 HG11 VAL 36 1HG1 VAL 36 1.981 14.110 -2.960 284 HG12 VAL 36 2HG1 VAL 36 1.942 15.519 -1.871 285 HG13 VAL 36 3HG1 VAL 36 2.440 15.695 -3.574 286 HG21 VAL 36 3HG2 VAL 36 5.706 15.962 -1.949 287 HG22 VAL 36 1HG2 VAL 36 4.591 16.668 -3.127 288 HG23 VAL 36 2HG2 VAL 36 4.197 16.724 -1.396 289 H ASP 37 H ASP 37 3.592 12.156 -2.634 290 HA ASP 37 HA ASP 37 2.124 10.305 -0.931 291 HB2 ASP 37 2HB ASP 37 0.503 12.242 -1.606 292 HB3 ASP 37 3HB ASP 37 0.542 11.527 -3.215 293 H ASN 38 H ASN 38 4.535 10.406 -2.656 294 HA ASN 38 HA ASN 38 3.695 8.588 -4.845 295 HB2 ASN 38 2HB ASN 38 5.994 10.537 -4.603 296 HB3 ASN 38 3HB ASN 38 6.102 9.159 -5.700 297 HD21 ASN 38 1HD2 ASN 38 5.962 12.089 -6.388 298 HD22 ASN 38 2HD2 ASN 38 4.569 12.150 -7.460 299 H TYR 39 H TYR 39 5.869 8.790 -2.075 300 HA TYR 39 HA TYR 39 6.848 6.050 -2.731 301 HB2 TYR 39 2HB TYR 39 8.303 8.358 -1.395 302 HB3 TYR 39 3HB TYR 39 8.871 6.706 -1.388 303 HD1 TYR 39 HD1 TYR 39 7.621 6.868 -4.649 304 HD2 TYR 39 HD2 TYR 39 10.806 8.445 -2.209 305 HE1 TYR 39 HE1 TYR 39 8.969 7.234 -6.660 306 HE2 TYR 39 HE2 TYR 39 12.167 8.805 -4.252 307 HH TYR 39 HH TYR 39 11.323 7.579 -7.404 308 H ILE 40 H ILE 40 6.309 4.555 -1.306 309 HA ILE 40 HA ILE 40 5.499 5.247 1.444 310 HB ILE 40 HB ILE 40 3.822 3.595 -0.504 311 HG12 ILE 40 2HG1 ILE 40 3.177 6.419 0.432 312 HG13 ILE 40 3HG1 ILE 40 3.759 6.000 -1.184 313 HG21 ILE 40 1HG2 ILE 40 2.145 3.608 1.274 314 HG22 ILE 40 2HG2 ILE 40 3.672 3.018 1.926 315 HG23 ILE 40 3HG2 ILE 40 3.156 4.684 2.264 316 HD11 ILE 40 3HD1 ILE 40 1.775 4.525 -1.531 317 HD12 ILE 40 1HD1 ILE 40 1.108 5.158 -0.005 318 HD13 ILE 40 2HD1 ILE 40 1.421 6.246 -1.371 319 H SER 41 H SER 41 7.057 3.876 2.515 320 HA SER 41 HA SER 41 8.290 1.724 1.248 321 HB2 SER 41 2HB SER 41 9.173 3.002 3.236 322 HB3 SER 41 3HB SER 41 8.037 2.045 4.235 323 HG SER 41 HG SER 41 10.060 0.969 4.073 324 H ILE 42 H ILE 42 8.055 -0.420 1.287 325 HA ILE 42 HA ILE 42 5.592 -1.712 2.006 326 HB ILE 42 HB ILE 42 6.868 -3.819 1.827 327 HG12 ILE 42 2HG1 ILE 42 9.272 -2.081 1.112 328 HG13 ILE 42 3HG1 ILE 42 9.082 -2.955 2.638 329 HG21 ILE 42 1HG2 ILE 42 5.757 -2.663 -0.016 330 HG22 ILE 42 2HG2 ILE 42 7.253 -1.850 -0.458 331 HG23 ILE 42 3HG2 ILE 42 7.122 -3.625 -0.587 332 HD11 ILE 42 3HD1 ILE 42 8.874 -5.100 1.346 333 HD12 ILE 42 1HD1 ILE 42 9.261 -4.196 -0.138 334 HD13 ILE 42 2HD1 ILE 42 10.447 -4.302 1.172 335 H ASP 43 H ASP 43 8.209 -0.561 4.003 336 HA ASP 43 HA ASP 43 7.769 -2.417 6.163 337 HB2 ASP 43 2HB ASP 43 8.657 0.505 6.200 338 HB3 ASP 43 3HB ASP 43 8.743 -0.606 7.574 339 H VAL 44 H VAL 44 6.227 0.707 5.256 340 HA VAL 44 HA VAL 44 4.469 0.682 7.545 341 HB VAL 44 HB VAL 44 5.184 2.496 5.389 342 HG11 VAL 44 1HG1 VAL 44 3.064 3.707 5.160 343 HG12 VAL 44 2HG1 VAL 44 2.994 2.122 4.390 344 HG13 VAL 44 3HG1 VAL 44 2.198 2.385 5.963 345 HG21 VAL 44 3HG2 VAL 44 4.462 4.127 7.104 346 HG22 VAL 44 1HG2 VAL 44 3.715 2.823 8.036 347 HG23 VAL 44 2HG2 VAL 44 5.479 2.853 7.794 348 H ILE 45 H ILE 45 4.150 -0.247 4.114 349 HA ILE 45 HA ILE 45 1.325 -0.826 4.340 350 HB ILE 45 HB ILE 45 3.275 -2.060 2.413 351 HG12 ILE 45 2HG1 ILE 45 1.821 0.568 1.820 352 HG13 ILE 45 3HG1 ILE 45 3.416 0.582 2.523 353 HG21 ILE 45 1HG2 ILE 45 0.894 -2.882 2.362 354 HG22 ILE 45 2HG2 ILE 45 0.335 -1.232 2.060 355 HG23 ILE 45 3HG2 ILE 45 1.317 -2.078 0.849 356 HD11 ILE 45 3HD1 ILE 45 3.716 0.866 0.201 357 HD12 ILE 45 1HD1 ILE 45 4.287 -0.758 0.564 358 HD13 ILE 45 2HD1 ILE 45 2.699 -0.523 -0.192 359 H ALA 46 H ALA 46 4.253 -2.738 4.910 360 HA ALA 46 HA ALA 46 2.836 -5.221 5.313 361 HB1 ALA 46 1HB ALA 46 4.957 -5.914 6.457 362 HB2 ALA 46 2HB ALA 46 5.279 -5.204 4.862 363 HB3 ALA 46 3HB ALA 46 5.565 -4.248 6.332 364 H SER 47 H SER 47 3.783 -2.429 7.259 365 HA SER 47 HA SER 47 3.068 -3.707 9.784 366 HB2 SER 47 2HB SER 47 4.936 -2.096 9.505 367 HB3 SER 47 3HB SER 47 3.765 -0.813 9.152 368 HG SER 47 HG SER 47 4.056 -2.299 11.557 369 H PHE 48 H PHE 48 1.290 -2.104 7.377 370 HA PHE 48 HA PHE 48 -0.311 -0.329 8.277 371 HB2 PHE 48 2HB PHE 48 -0.368 -2.145 6.166 372 HB3 PHE 48 3HB PHE 48 -1.961 -2.336 6.860 373 HD1 PHE 48 2HD PHE 48 -2.167 0.762 7.682 374 HD2 PHE 48 1HD PHE 48 -1.146 -1.436 4.104 375 HE1 PHE 48 2HE PHE 48 -2.991 2.626 6.292 376 HE2 PHE 48 1HE PHE 48 -2.027 0.424 2.716 377 HZ PHE 48 HZ PHE 48 -2.963 2.426 3.816 378 H ASN 49 H ASN 49 -0.851 -3.629 9.157 379 HA ASN 49 HA ASN 49 -1.973 -4.408 11.087 380 HB2 ASN 49 2HB ASN 49 -4.102 -2.274 10.502 381 HB3 ASN 49 3HB ASN 49 -4.382 -3.691 11.480 382 HD21 ASN 49 1HD2 ASN 49 -2.871 -0.553 11.501 383 HD22 ASN 49 2HD2 ASN 49 -2.393 -0.632 13.195 384 H ARG 50 H ARG 50 -4.636 -3.471 8.906 385 HA ARG 50 HA ARG 50 -5.528 -6.115 8.740 386 HB2 ARG 50 2HB ARG 50 -6.796 -3.955 8.330 387 HB3 ARG 50 3HB ARG 50 -6.069 -3.912 6.714 388 HG2 ARG 50 2HG ARG 50 -7.110 -6.070 6.169 389 HG3 ARG 50 3HG ARG 50 -7.793 -6.196 7.803 390 HD2 ARG 50 2HD ARG 50 -8.310 -3.849 5.952 391 HD3 ARG 50 3HD ARG 50 -9.336 -5.305 5.946 392 HE ARG 50 HE ARG 50 -9.294 -4.547 8.579 393 HH11 ARG 50 2HH2 ARG 50 -10.215 -3.001 5.534 394 HH12 ARG 50 1HH2 ARG 50 -11.336 -1.890 6.228 395 HH21 ARG 50 2HH1 ARG 50 -10.902 -3.157 9.544 396 HH22 ARG 50 1HH1 ARG 50 -11.781 -2.044 8.559 397 H MET 51 H MET 51 -3.338 -4.395 6.565 398 HA MET 51 HA MET 51 -3.130 -6.482 4.595 399 HB2 MET 51 2HB MET 51 -1.757 -3.926 5.186 400 HB3 MET 51 3HB MET 51 -0.660 -5.181 4.599 401 HG2 MET 51 2HG MET 51 -1.620 -3.853 2.759 402 HG3 MET 51 3HG MET 51 -1.976 -5.572 2.656 403 HE1 MET 51 3HE MET 51 -3.141 -2.060 2.710 404 HE2 MET 51 1HE MET 51 -4.876 -2.102 3.040 405 HE3 MET 51 2HE MET 51 -3.723 -2.316 4.378 406 H LYS 52 H LYS 52 -1.278 -5.730 7.617 407 HA LYS 52 HA LYS 52 0.667 -7.733 7.335 408 HB2 LYS 52 2HB LYS 52 0.419 -5.866 9.157 409 HB3 LYS 52 3HB LYS 52 -0.627 -7.004 9.997 410 HG2 LYS 52 2HG LYS 52 1.205 -8.728 9.886 411 HG3 LYS 52 3HG LYS 52 2.258 -7.513 9.139 412 HD2 LYS 52 2HD LYS 52 1.987 -6.072 11.147 413 HD3 LYS 52 3HD LYS 52 0.941 -7.317 11.877 414 HE2 LYS 52 2HE LYS 52 2.845 -8.971 11.575 415 HE3 LYS 52 3HE LYS 52 3.871 -7.621 11.067 416 HZ1 LYS 52 3HZ LYS 52 3.475 -6.617 13.240 417 HZ2 LYS 52 1HZ LYS 52 2.556 -7.905 13.698 418 HZ3 LYS 52 2HZ LYS 52 4.158 -8.107 13.392 419 H THR 53 H THR 53 -2.682 -7.876 8.643 420 HA THR 53 HA THR 53 -2.416 -10.618 9.448 421 HB THR 53 HB THR 53 -4.923 -10.358 9.792 422 HG1 THR 53 1HG THR 53 -5.153 -8.610 8.169 423 HG21 THR 53 1HG2 THR 53 -4.566 -8.771 11.641 424 HG22 THR 53 2HG2 THR 53 -3.143 -9.832 11.474 425 HG23 THR 53 3HG2 THR 53 -3.089 -8.167 10.859 426 H ILE 54 H ILE 54 -3.903 -9.051 6.516 427 HA ILE 54 HA ILE 54 -5.061 -11.581 5.709 428 HB ILE 54 HB ILE 54 -4.518 -8.996 4.213 429 HG12 ILE 54 2HG1 ILE 54 -7.167 -10.227 5.091 430 HG13 ILE 54 3HG1 ILE 54 -6.275 -9.076 6.080 431 HG21 ILE 54 1HG2 ILE 54 -4.563 -10.869 2.562 432 HG22 ILE 54 2HG2 ILE 54 -6.085 -11.446 3.256 433 HG23 ILE 54 3HG2 ILE 54 -6.008 -9.892 2.404 434 HD11 ILE 54 3HD1 ILE 54 -6.391 -7.402 4.219 435 HD12 ILE 54 1HD1 ILE 54 -7.431 -8.526 3.312 436 HD13 ILE 54 2HD1 ILE 54 -7.980 -7.880 4.859 437 H SER 55 H SER 55 -1.963 -10.000 5.193 438 HA SER 55 HA SER 55 -1.201 -12.038 3.158 439 HB2 SER 55 2HB SER 55 -0.122 -9.429 4.069 440 HB3 SER 55 3HB SER 55 1.120 -10.667 3.881 441 HG SER 55 HG SER 55 -0.830 -10.188 1.897 442 H THR 56 H THR 56 -0.605 -11.283 6.548 443 HA THR 56 HA THR 56 0.562 -12.318 8.164 444 HB THR 56 HB THR 56 -0.171 -14.707 6.456 445 HG1 THR 56 1HG THR 56 -1.801 -13.393 7.489 446 HG21 THR 56 1HG2 THR 56 0.973 -14.665 9.285 447 HG22 THR 56 2HG2 THR 56 0.130 -16.048 8.553 448 HG23 THR 56 3HG2 THR 56 1.666 -15.494 7.869 449 H ASP 57 H ASP 57 2.013 -12.170 4.984 450 HA ASP 57 HA ASP 57 4.669 -12.521 6.131 451 HB2 ASP 57 2HB ASP 57 3.934 -14.734 5.263 452 HB3 ASP 57 3HB ASP 57 3.529 -13.989 3.711 453 H LEU 58 H LEU 58 6.054 -11.195 5.112 454 HA LEU 58 HA LEU 58 5.107 -8.893 3.655 455 HB2 LEU 58 2HB LEU 58 7.928 -9.896 4.266 456 HB3 LEU 58 3HB LEU 58 7.557 -8.387 3.435 457 HG LEU 58 HG LEU 58 6.128 -7.777 5.495 458 HD11 LEU 58 1HD1 LEU 58 7.079 -8.706 7.644 459 HD12 LEU 58 2HD1 LEU 58 6.074 -9.843 6.757 460 HD13 LEU 58 3HD1 LEU 58 7.850 -9.988 6.692 461 HD21 LEU 58 3HD2 LEU 58 8.253 -6.683 4.860 462 HD22 LEU 58 1HD2 LEU 58 8.132 -6.842 6.616 463 HD23 LEU 58 2HD2 LEU 58 9.167 -7.958 5.698 464 H GLN 59 H GLN 59 6.072 -12.024 2.709 465 HA GLN 59 HA GLN 59 7.048 -11.412 0.074 466 HB2 GLN 59 2HB GLN 59 7.546 -13.471 1.317 467 HB3 GLN 59 3HB GLN 59 5.846 -13.956 1.231 468 HG2 GLN 59 2HG GLN 59 5.932 -14.412 -1.061 469 HG3 GLN 59 3HG GLN 59 7.246 -13.268 -1.353 470 HE21 GLN 59 1HE2 GLN 59 9.432 -13.883 -0.209 471 HE22 GLN 59 2HE2 GLN 59 9.832 -15.589 -0.356 472 H LEU 60 H LEU 60 3.814 -12.453 1.407 473 HA LEU 60 HA LEU 60 2.593 -12.204 -1.226 474 HB2 LEU 60 2HB LEU 60 1.760 -12.962 1.554 475 HB3 LEU 60 3HB LEU 60 0.549 -12.130 0.614 476 HG LEU 60 HG LEU 60 0.351 -14.563 0.428 477 HD11 LEU 60 1HD1 LEU 60 -0.410 -13.060 -1.426 478 HD12 LEU 60 2HD1 LEU 60 1.128 -13.355 -2.263 479 HD13 LEU 60 3HD1 LEU 60 0.019 -14.695 -1.955 480 HD21 LEU 60 3HD2 LEU 60 3.029 -14.473 -1.031 481 HD22 LEU 60 1HD2 LEU 60 2.755 -15.137 0.593 482 HD23 LEU 60 2HD2 LEU 60 1.985 -15.889 -0.816 483 H ILE 61 H ILE 61 3.059 -10.077 1.595 484 HA ILE 61 HA ILE 61 1.250 -8.132 0.566 485 HB ILE 61 HB ILE 61 2.675 -8.403 2.889 486 HG12 ILE 61 2HG1 ILE 61 0.509 -7.394 2.709 487 HG13 ILE 61 3HG1 ILE 61 1.583 -6.316 3.590 488 HG21 ILE 61 1HG2 ILE 61 4.739 -7.354 2.053 489 HG22 ILE 61 2HG2 ILE 61 3.848 -5.895 1.614 490 HG23 ILE 61 3HG2 ILE 61 3.968 -6.389 3.308 491 HD11 ILE 61 3HD1 ILE 61 1.872 -4.936 1.511 492 HD12 ILE 61 1HD1 ILE 61 0.722 -6.004 0.672 493 HD13 ILE 61 2HD1 ILE 61 0.195 -5.043 2.048 494 H THR 62 H THR 62 4.706 -8.688 0.017 495 HA THR 62 HA THR 62 4.955 -6.183 -1.460 496 HB THR 62 HB THR 62 6.833 -7.279 -0.143 497 HG1 THR 62 1HG THR 62 7.116 -6.316 -2.782 498 HG21 THR 62 1HG2 THR 62 7.258 -8.830 -2.740 499 HG22 THR 62 2HG2 THR 62 8.341 -8.759 -1.337 500 HG23 THR 62 3HG2 THR 62 6.765 -9.546 -1.191 501 H GLU 63 H GLU 63 4.288 -9.591 -2.231 502 HA GLU 63 HA GLU 63 4.513 -9.160 -5.088 503 HB2 GLU 63 2HB GLU 63 4.615 -11.449 -4.287 504 HB3 GLU 63 3HB GLU 63 3.016 -11.304 -3.498 505 HG2 GLU 63 2HG GLU 63 1.899 -10.985 -5.586 506 HG3 GLU 63 3HG GLU 63 3.430 -10.683 -6.431 507 H ALA 64 H ALA 64 1.905 -8.812 -2.699 508 HA ALA 64 HA ALA 64 -0.231 -8.406 -4.552 509 HB1 ALA 64 1HB ALA 64 0.200 -7.027 -1.870 510 HB2 ALA 64 2HB ALA 64 -1.329 -7.173 -2.760 511 HB3 ALA 64 3HB ALA 64 -0.532 -8.633 -2.117 512 H LEU 65 H LEU 65 2.135 -6.119 -3.137 513 HA LEU 65 HA LEU 65 1.270 -3.791 -4.516 514 HB2 LEU 65 2HB LEU 65 3.902 -4.675 -3.344 515 HB3 LEU 65 3HB LEU 65 3.729 -3.126 -4.157 516 HG LEU 65 HG LEU 65 1.889 -3.975 -1.888 517 HD11 LEU 65 1HD1 LEU 65 4.345 -2.175 -1.743 518 HD12 LEU 65 2HD1 LEU 65 3.293 -2.716 -0.402 519 HD13 LEU 65 3HD1 LEU 65 4.311 -3.888 -1.233 520 HD21 LEU 65 3HD2 LEU 65 1.057 -2.097 -3.354 521 HD22 LEU 65 1HD2 LEU 65 1.442 -1.556 -1.729 522 HD23 LEU 65 2HD2 LEU 65 2.586 -1.240 -3.055 523 H LYS 66 H LYS 66 3.590 -6.344 -5.372 524 HA LYS 66 HA LYS 66 4.497 -5.155 -7.785 525 HB2 LYS 66 2HB LYS 66 5.433 -7.125 -6.347 526 HB3 LYS 66 3HB LYS 66 4.447 -8.150 -7.398 527 HG2 LYS 66 2HG LYS 66 5.648 -7.246 -9.378 528 HG3 LYS 66 3HG LYS 66 6.527 -6.114 -8.326 529 HD2 LYS 66 2HD LYS 66 7.439 -8.099 -7.056 530 HD3 LYS 66 3HD LYS 66 6.724 -9.152 -8.298 531 HE2 LYS 66 2HE LYS 66 8.061 -8.007 -10.039 532 HE3 LYS 66 3HE LYS 66 8.707 -6.889 -8.826 533 HZ1 LYS 66 3HZ LYS 66 9.157 -9.807 -8.861 534 HZ2 LYS 66 1HZ LYS 66 10.253 -8.656 -9.286 535 HZ3 LYS 66 2HZ LYS 66 9.744 -8.764 -7.728 536 H LYS 67 H LYS 67 1.611 -7.084 -7.189 537 HA LYS 67 HA LYS 67 0.906 -6.746 -10.094 538 HB2 LYS 67 2HB LYS 67 -0.289 -8.711 -8.087 539 HB3 LYS 67 3HB LYS 67 -0.827 -8.456 -9.740 540 HG2 LYS 67 2HG LYS 67 0.376 -10.349 -10.003 541 HG3 LYS 67 3HG LYS 67 1.579 -9.135 -10.460 542 HD2 LYS 67 2HD LYS 67 2.668 -9.334 -8.315 543 HD3 LYS 67 3HD LYS 67 1.336 -10.287 -7.651 544 HE2 LYS 67 2HE LYS 67 2.991 -11.254 -10.018 545 HE3 LYS 67 3HE LYS 67 3.509 -11.516 -8.351 546 HZ1 LYS 67 3HZ LYS 67 2.369 -13.404 -8.978 547 HZ2 LYS 67 1HZ LYS 67 1.400 -12.660 -7.944 548 HZ3 LYS 67 2HZ LYS 67 1.042 -12.584 -9.557 549 H SER 68 H SER 68 0.722 -4.432 -8.342 550 HA SER 68 HA SER 68 -1.883 -4.370 -7.235 551 HB2 SER 68 2HB SER 68 0.234 -2.299 -7.784 552 HB3 SER 68 3HB SER 68 -1.380 -1.824 -7.201 553 HG SER 68 HG SER 68 0.032 -3.933 -6.019 554 H THR 69 H THR 69 -3.345 -2.421 -7.760 555 HA THR 69 HA THR 69 -4.233 -2.817 -10.567 556 HB THR 69 HB THR 69 -5.221 -4.400 -8.997 557 HG1 THR 69 1HG THR 69 -6.435 -3.761 -10.719 558 HG21 THR 69 1HG2 THR 69 -6.507 -3.893 -7.082 559 HG22 THR 69 2HG2 THR 69 -5.303 -2.619 -6.973 560 HG23 THR 69 3HG2 THR 69 -6.863 -2.277 -7.675 561 H ARG 70 H ARG 70 -4.813 -0.757 -7.639 562 HA ARG 70 HA ARG 70 -5.477 1.508 -9.458 563 HB2 ARG 70 2HB ARG 70 -6.170 0.688 -6.671 564 HB3 ARG 70 3HB ARG 70 -5.983 2.413 -6.930 565 HG2 ARG 70 2HG ARG 70 -8.319 1.557 -7.116 566 HG3 ARG 70 3HG ARG 70 -7.768 2.528 -8.475 567 HD2 ARG 70 2HD ARG 70 -7.400 -0.442 -8.695 568 HD3 ARG 70 3HD ARG 70 -9.050 0.149 -8.739 569 HE ARG 70 HE ARG 70 -7.688 1.786 -10.500 570 HH11 ARG 70 2HH2 ARG 70 -8.111 -1.709 -10.219 571 HH12 ARG 70 1HH2 ARG 70 -8.542 -1.955 -11.874 572 HH21 ARG 70 2HH1 ARG 70 -8.053 1.458 -12.763 573 HH22 ARG 70 1HH1 ARG 70 -8.375 -0.120 -13.382 574 H LEU 71 H LEU 71 -2.741 0.234 -7.788 575 HA LEU 71 HA LEU 71 -1.490 2.847 -7.838 576 HB2 LEU 71 2HB LEU 71 -0.420 1.046 -5.761 577 HB3 LEU 71 3HB LEU 71 -0.701 2.738 -5.761 578 HG LEU 71 HG LEU 71 -1.727 1.587 -3.935 579 HD11 LEU 71 1HD1 LEU 71 -3.916 2.621 -3.973 580 HD12 LEU 71 2HD1 LEU 71 -2.660 3.679 -4.634 581 HD13 LEU 71 3HD1 LEU 71 -3.811 2.878 -5.719 582 HD21 LEU 71 3HD2 LEU 71 -2.298 -0.520 -5.151 583 HD22 LEU 71 1HD2 LEU 71 -3.537 0.118 -4.045 584 HD23 LEU 71 2HD2 LEU 71 -3.759 0.318 -5.765 585 H GLN 72 H GLN 72 0.908 2.486 -7.996 586 HA GLN 72 HA GLN 72 1.612 -0.049 -9.380 587 HB2 GLN 72 2HB GLN 72 1.187 1.797 -11.004 588 HB3 GLN 72 3HB GLN 72 2.315 2.833 -10.118 589 HG2 GLN 72 2HG GLN 72 4.140 1.133 -10.598 590 HG3 GLN 72 3HG GLN 72 2.985 0.265 -11.619 591 HE21 GLN 72 1HE2 GLN 72 2.065 1.498 -13.530 592 HE22 GLN 72 2HE2 GLN 72 3.060 2.780 -14.203 593 H VAL 73 H VAL 73 3.270 -0.965 -8.271 594 HA VAL 73 HA VAL 73 4.874 0.681 -6.435 595 HB VAL 73 HB VAL 73 3.855 -1.551 -5.774 596 HG11 VAL 73 1HG1 VAL 73 5.093 -3.577 -6.333 597 HG12 VAL 73 2HG1 VAL 73 4.445 -2.839 -7.818 598 HG13 VAL 73 3HG1 VAL 73 6.170 -2.687 -7.408 599 HG21 VAL 73 3HG2 VAL 73 6.811 -0.977 -5.463 600 HG22 VAL 73 1HG2 VAL 73 5.512 -0.636 -4.321 601 HG23 VAL 73 2HG2 VAL 73 6.002 -2.303 -4.590 602 H SER 74 H SER 74 7.027 1.064 -6.810 603 HA SER 74 HA SER 74 8.480 -0.307 -8.937 604 HB2 SER 74 2HB SER 74 7.003 1.697 -9.907 605 HB3 SER 74 3HB SER 74 8.228 2.684 -9.069 606 HG SER 74 HG SER 74 8.509 0.908 -11.249 607 H GLU 75 H GLU 75 10.409 1.691 -9.220 608 HA GLU 75 HA GLU 75 12.182 2.736 -8.349 609 HB2 GLU 75 2HB GLU 75 10.215 3.284 -6.427 610 HB3 GLU 75 3HB GLU 75 11.521 2.587 -5.480 611 HG2 GLU 75 2HG GLU 75 11.863 4.941 -5.546 612 HG3 GLU 75 3HG GLU 75 13.088 4.233 -6.607 613 H ASP 76 H ASP 76 11.157 0.446 -5.947 614 HA ASP 76 HA ASP 76 13.129 -1.597 -6.630 615 HB2 ASP 76 2HB ASP 76 14.502 0.012 -5.267 616 HB3 ASP 76 3HB ASP 76 13.397 -0.241 -3.911 617 H GLY 77 H GLY 77 10.076 -1.182 -6.209 618 HA2 GLY 77 2HA GLY 77 8.350 -2.348 -5.166 619 HA3 GLY 77 3HA GLY 77 9.531 -3.552 -4.654 620 H LYS 78 H LYS 78 10.340 -0.338 -3.659 621 HA LYS 78 HA LYS 78 9.074 -0.771 -0.977 622 HB2 LYS 78 2HB LYS 78 11.699 0.586 -1.721 623 HB3 LYS 78 3HB LYS 78 10.928 0.666 -0.135 624 HG2 LYS 78 2HG LYS 78 10.948 -2.059 -0.560 625 HG3 LYS 78 3HG LYS 78 12.437 -1.567 -1.385 626 HD2 LYS 78 2HD LYS 78 13.160 -0.354 0.663 627 HD3 LYS 78 3HD LYS 78 11.631 -0.794 1.461 628 HE2 LYS 78 2HE LYS 78 12.233 -3.221 1.091 629 HE3 LYS 78 3HE LYS 78 13.830 -2.685 0.547 630 HZ1 LYS 78 3HZ LYS 78 14.131 -1.648 2.712 631 HZ2 LYS 78 1HZ LYS 78 12.640 -2.128 3.211 632 HZ3 LYS 78 2HZ LYS 78 13.804 -3.250 2.900 633 H MET 79 H MET 79 8.247 0.744 -3.690 634 HA MET 79 HA MET 79 7.088 2.910 -2.145 635 HB2 MET 79 2HB MET 79 8.827 3.349 -4.653 636 HB3 MET 79 3HB MET 79 7.754 4.560 -3.981 637 HG2 MET 79 2HG MET 79 9.787 5.222 -3.137 638 HG3 MET 79 3HG MET 79 9.130 4.294 -1.793 639 HE1 MET 79 3HE MET 79 11.096 3.644 -0.432 640 HE2 MET 79 1HE MET 79 12.731 3.407 -1.090 641 HE3 MET 79 2HE MET 79 11.896 4.962 -1.326 642 H VAL 80 H VAL 80 5.064 3.556 -2.999 643 HA VAL 80 HA VAL 80 4.296 2.431 -5.575 644 HB VAL 80 HB VAL 80 3.732 0.597 -4.153 645 HG11 VAL 80 1HG1 VAL 80 2.361 0.852 -2.082 646 HG12 VAL 80 2HG1 VAL 80 3.971 1.578 -1.948 647 HG13 VAL 80 3HG1 VAL 80 2.539 2.599 -2.214 648 HG21 VAL 80 3HG2 VAL 80 1.912 1.325 -5.680 649 HG22 VAL 80 1HG2 VAL 80 1.338 0.460 -4.248 650 HG23 VAL 80 2HG2 VAL 80 1.180 2.222 -4.321 651 H ARG 81 H ARG 81 2.595 3.530 -6.494 652 HA ARG 81 HA ARG 81 1.551 5.857 -4.931 653 HB2 ARG 81 2HB ARG 81 1.839 7.336 -6.913 654 HB3 ARG 81 3HB ARG 81 3.303 6.919 -6.049 655 HG2 ARG 81 2HG ARG 81 2.585 5.353 -8.537 656 HG3 ARG 81 3HG ARG 81 3.260 6.982 -8.648 657 HD2 ARG 81 2HD ARG 81 5.134 6.208 -7.107 658 HD3 ARG 81 3HD ARG 81 4.584 4.548 -7.416 659 HE ARG 81 HE ARG 81 4.798 5.583 -9.924 660 HH11 ARG 81 2HH2 ARG 81 7.055 5.369 -7.204 661 HH12 ARG 81 1HH2 ARG 81 8.476 5.470 -8.171 662 HH21 ARG 81 2HH1 ARG 81 6.724 5.763 -11.242 663 HH22 ARG 81 1HH1 ARG 81 8.281 5.734 -10.481 664 H ARG 82 H ARG 82 -0.560 6.328 -5.314 665 HA ARG 82 HA ARG 82 -2.235 4.526 -6.797 666 HB2 ARG 82 2HB ARG 82 -4.046 6.149 -6.359 667 HB3 ARG 82 3HB ARG 82 -3.184 5.761 -4.910 668 HG2 ARG 82 2HG ARG 82 -2.347 8.228 -6.455 669 HG3 ARG 82 3HG ARG 82 -3.834 8.256 -5.521 670 HD2 ARG 82 2HD ARG 82 -1.838 7.041 -3.834 671 HD3 ARG 82 3HD ARG 82 -1.090 8.434 -4.596 672 HE ARG 82 HE ARG 82 -2.121 9.634 -3.050 673 HH11 ARG 82 2HH2 ARG 82 -4.509 7.145 -3.798 674 HH12 ARG 82 1HH2 ARG 82 -5.554 7.552 -2.481 675 HH21 ARG 82 2HH1 ARG 82 -3.353 10.141 -1.371 676 HH22 ARG 82 1HH1 ARG 82 -4.925 9.426 -1.086 677 H LEU 83 H LEU 83 -3.947 5.712 -8.306 678 HA LEU 83 HA LEU 83 -2.544 6.827 -10.626 679 HB2 LEU 83 2HB LEU 83 -5.466 6.252 -9.928 680 HB3 LEU 83 3HB LEU 83 -4.956 6.867 -11.493 681 HG LEU 83 HG LEU 83 -3.671 4.321 -10.501 682 HD11 LEU 83 1HD1 LEU 83 -6.467 4.497 -11.692 683 HD12 LEU 83 2HD1 LEU 83 -5.524 3.001 -11.460 684 HD13 LEU 83 3HD1 LEU 83 -6.047 3.950 -10.052 685 HD21 LEU 83 3HD2 LEU 83 -4.593 5.263 -13.246 686 HD22 LEU 83 1HD2 LEU 83 -2.937 5.397 -12.610 687 HD23 LEU 83 2HD2 LEU 83 -3.652 3.798 -12.886 688 H ASP 84 H ASP 84 -2.896 8.996 -11.295 689 HA ASP 84 HA ASP 84 -3.155 11.019 -9.397 690 HB2 ASP 84 2HB ASP 84 -2.897 10.815 -12.311 691 HB3 ASP 84 3HB ASP 84 -3.956 12.149 -11.860 692 HA PRO 85 HA PRO 85 -7.679 11.796 -10.552 693 HB2 PRO 85 2HB PRO 85 -9.154 9.960 -11.972 694 HB3 PRO 85 3HB PRO 85 -8.185 11.256 -12.742 695 HG2 PRO 85 2HG PRO 85 -7.370 8.373 -12.250 696 HG3 PRO 85 3HG PRO 85 -7.254 9.308 -13.780 697 HD2 PRO 85 2HD PRO 85 -5.129 9.044 -12.151 698 HD3 PRO 85 3HD PRO 85 -5.455 10.613 -12.941 699 H LEU 86 H LEU 86 -9.276 11.394 -9.083 700 HA LEU 86 HA LEU 86 -8.751 9.490 -7.052 701 HB2 LEU 86 2HB LEU 86 -10.839 10.303 -6.040 702 HB3 LEU 86 3HB LEU 86 -9.820 11.621 -6.586 703 HG LEU 86 HG LEU 86 -11.635 10.920 -8.751 704 HD11 LEU 86 1HD1 LEU 86 -13.073 9.956 -6.982 705 HD12 LEU 86 2HD1 LEU 86 -12.992 11.490 -6.083 706 HD13 LEU 86 3HD1 LEU 86 -13.780 11.425 -7.675 707 HD21 LEU 86 3HD2 LEU 86 -10.554 13.115 -8.413 708 HD22 LEU 86 1HD2 LEU 86 -12.315 13.252 -8.520 709 HD23 LEU 86 2HD2 LEU 86 -11.514 13.358 -6.938 710 HA PRO 87 HA PRO 87 -10.719 5.928 -8.584 711 HB2 PRO 87 2HB PRO 87 -11.412 4.580 -6.267 712 HB3 PRO 87 3HB PRO 87 -9.736 4.751 -6.877 713 HG2 PRO 87 2HG PRO 87 -11.120 6.352 -4.711 714 HG3 PRO 87 3HG PRO 87 -9.452 5.698 -4.762 715 HD2 PRO 87 2HD PRO 87 -10.036 8.308 -5.353 716 HD3 PRO 87 3HD PRO 87 -8.688 7.420 -6.127 717 H GLU 88 H GLU 88 -12.685 5.526 -9.468 718 HA GLU 88 HA GLU 88 -15.081 6.834 -8.478 719 HB2 GLU 88 2HB GLU 88 -14.506 4.870 -10.733 720 HB3 GLU 88 3HB GLU 88 -16.120 5.525 -10.391 721 HG2 GLU 88 2HG GLU 88 -15.329 7.807 -10.739 722 HG3 GLU 88 3HG GLU 88 -13.674 7.235 -11.000 723 H ASN 89 H ASN 89 -15.003 5.825 -6.312 724 HA ASN 89 HA ASN 89 -15.880 4.407 -4.736 725 HB2 ASN 89 2HB ASN 89 -17.675 3.389 -6.958 726 HB3 ASN 89 3HB ASN 89 -17.942 3.263 -5.228 727 HD21 ASN 89 1HD2 ASN 89 -18.357 5.258 -8.038 728 HD22 ASN 89 2HD2 ASN 89 -19.059 6.634 -7.190 729 H ILE 90 H ILE 90 -13.625 3.293 -5.051 730 HA ILE 90 HA ILE 90 -14.127 0.496 -5.945 731 HB ILE 90 HB ILE 90 -11.636 2.242 -6.102 732 HG12 ILE 90 2HG1 ILE 90 -12.917 0.665 -8.359 733 HG13 ILE 90 3HG1 ILE 90 -13.532 2.258 -7.933 734 HG21 ILE 90 1HG2 ILE 90 -10.867 0.063 -5.391 735 HG22 ILE 90 2HG2 ILE 90 -11.918 -0.758 -6.564 736 HG23 ILE 90 3HG2 ILE 90 -10.542 0.214 -7.111 737 HD11 ILE 90 3HD1 ILE 90 -11.361 3.293 -8.350 738 HD12 ILE 90 1HD1 ILE 90 -10.650 1.717 -8.745 739 HD13 ILE 90 2HD1 ILE 90 -11.917 2.400 -9.774 740 H ASP 91 H ASP 91 -13.609 -1.181 -4.439 741 HA ASP 91 HA ASP 91 -12.073 -0.591 -2.070 742 HB2 ASP 91 2HB ASP 91 -13.784 -1.200 -0.532 743 HB3 ASP 91 3HB ASP 91 -14.474 0.066 -1.540 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -2.965 -15.917 -0.210 2 H2 MET 1 H2 MET 1 -1.520 -16.555 0.232 3 H3 MET 1 H3 MET 1 -1.776 -16.071 -1.334 4 HA MET 1 HA MET 1 -1.870 -18.498 -0.976 5 HB2 MET 1 2HB MET 1 -3.123 -18.046 1.245 6 HB3 MET 1 3HB MET 1 -4.584 -17.929 0.262 7 HG2 MET 1 2HG MET 1 -4.242 -20.204 -0.569 8 HG3 MET 1 3HG MET 1 -2.688 -20.299 0.286 9 HE1 MET 1 1HE MET 1 -3.351 -22.535 1.478 10 HE2 MET 1 2HE MET 1 -4.843 -22.764 2.417 11 HE3 MET 1 3HE MET 1 -4.931 -22.538 0.655 12 H SER 2 H SER 2 -1.822 -18.408 -3.204 13 HA SER 2 HA SER 2 -2.443 -18.082 -5.309 14 HB2 SER 2 2HB SER 2 -5.282 -18.511 -4.306 15 HB3 SER 2 3HB SER 2 -4.667 -18.781 -5.948 16 HG SER 2 HG SER 2 -4.784 -20.673 -4.565 17 H GLU 3 H GLU 3 -4.167 -16.834 -6.812 18 HA GLU 3 HA GLU 3 -3.797 -14.073 -6.150 19 HB2 GLU 3 2HB GLU 3 -5.119 -15.469 -8.487 20 HB3 GLU 3 3HB GLU 3 -4.981 -13.696 -8.329 21 HG2 GLU 3 2HG GLU 3 -2.508 -13.992 -7.886 22 HG3 GLU 3 3HG GLU 3 -2.674 -15.702 -8.288 23 H GLU 4 H GLU 4 -6.203 -16.255 -5.144 24 HA GLU 4 HA GLU 4 -8.371 -14.426 -4.760 25 HB2 GLU 4 2HB GLU 4 -7.367 -16.811 -3.149 26 HB3 GLU 4 3HB GLU 4 -8.852 -15.919 -2.772 27 HG2 GLU 4 2HG GLU 4 -9.776 -16.425 -4.994 28 HG3 GLU 4 3HG GLU 4 -8.290 -17.271 -5.451 29 H THR 5 H THR 5 -5.609 -15.332 -2.499 30 HA THR 5 HA THR 5 -6.384 -13.195 -0.713 31 HB THR 5 HB THR 5 -3.576 -14.266 -0.984 32 HG1 THR 5 1HG THR 5 -5.859 -15.504 0.087 33 HG21 THR 5 1HG2 THR 5 -5.219 -13.328 1.403 34 HG22 THR 5 2HG2 THR 5 -3.551 -13.931 1.475 35 HG23 THR 5 3HG2 THR 5 -3.908 -12.420 0.621 36 H SER 6 H SER 6 -3.901 -13.486 -3.345 37 HA SER 6 HA SER 6 -2.758 -10.980 -2.751 38 HB2 SER 6 2HB SER 6 -2.660 -12.874 -5.026 39 HB3 SER 6 3HB SER 6 -2.218 -11.186 -5.407 40 HG SER 6 HG SER 6 -0.422 -12.409 -4.600 41 H THR 7 H THR 7 -5.641 -11.664 -4.709 42 HA THR 7 HA THR 7 -5.802 -8.856 -5.501 43 HB THR 7 HB THR 7 -7.814 -11.139 -5.801 44 HG1 THR 7 1HG THR 7 -6.170 -11.646 -7.053 45 HG21 THR 7 1HG2 THR 7 -8.747 -9.716 -7.637 46 HG22 THR 7 2HG2 THR 7 -8.979 -9.013 -6.030 47 HG23 THR 7 3HG2 THR 7 -7.698 -8.384 -7.103 48 H GLN 8 H GLN 8 -7.200 -10.914 -2.980 49 HA GLN 8 HA GLN 8 -9.209 -9.045 -2.098 50 HB2 GLN 8 2HB GLN 8 -7.608 -11.282 -0.819 51 HB3 GLN 8 3HB GLN 8 -8.604 -10.257 0.189 52 HG2 GLN 8 2HG GLN 8 -9.908 -11.428 -2.265 53 HG3 GLN 8 3HG GLN 8 -9.506 -12.528 -0.946 54 HE21 GLN 8 1HE2 GLN 8 -11.168 -9.270 -1.406 55 HE22 GLN 8 2HE2 GLN 8 -12.320 -9.630 -0.141 56 H ILE 9 H ILE 9 -5.742 -9.398 -1.533 57 HA ILE 9 HA ILE 9 -5.841 -7.414 0.600 58 HB ILE 9 HB ILE 9 -4.282 -9.482 0.397 59 HG12 ILE 9 2HG1 ILE 9 -3.280 -6.740 1.288 60 HG13 ILE 9 3HG1 ILE 9 -4.389 -7.763 2.207 61 HG21 ILE 9 1HG2 ILE 9 -2.456 -7.447 -0.905 62 HG22 ILE 9 2HG2 ILE 9 -2.069 -9.124 -0.452 63 HG23 ILE 9 3HG2 ILE 9 -3.198 -8.824 -1.752 64 HD11 ILE 9 3HD1 ILE 9 -2.612 -9.564 2.192 65 HD12 ILE 9 1HD1 ILE 9 -1.477 -8.345 1.552 66 HD13 ILE 9 2HD1 ILE 9 -2.227 -8.104 3.134 67 H LEU 10 H LEU 10 -4.928 -7.697 -2.777 68 HA LEU 10 HA LEU 10 -3.686 -5.177 -3.062 69 HB2 LEU 10 2HB LEU 10 -4.377 -7.210 -4.852 70 HB3 LEU 10 3HB LEU 10 -5.429 -5.939 -5.354 71 HG LEU 10 HG LEU 10 -2.387 -5.993 -5.164 72 HD11 LEU 10 1HD1 LEU 10 -2.817 -5.317 -7.627 73 HD12 LEU 10 2HD1 LEU 10 -3.202 -6.965 -7.142 74 HD13 LEU 10 3HD1 LEU 10 -4.500 -5.787 -7.326 75 HD21 LEU 10 3HD2 LEU 10 -2.733 -3.821 -4.350 76 HD22 LEU 10 1HD2 LEU 10 -2.580 -3.560 -6.066 77 HD23 LEU 10 2HD2 LEU 10 -4.191 -3.576 -5.306 78 H LYS 11 H LYS 11 -7.093 -6.053 -3.470 79 HA LYS 11 HA LYS 11 -8.159 -3.471 -3.918 80 HB2 LYS 11 2HB LYS 11 -9.152 -6.090 -2.741 81 HB3 LYS 11 3HB LYS 11 -10.062 -4.633 -2.353 82 HG2 LYS 11 2HG LYS 11 -11.047 -5.573 -4.279 83 HG3 LYS 11 3HG LYS 11 -10.200 -4.055 -4.714 84 HD2 LYS 11 2HD LYS 11 -8.491 -5.270 -5.871 85 HD3 LYS 11 3HD LYS 11 -9.101 -6.818 -5.237 86 HE2 LYS 11 2HE LYS 11 -9.851 -6.278 -7.608 87 HE3 LYS 11 3HE LYS 11 -11.116 -6.704 -6.448 88 HZ1 LYS 11 3HZ LYS 11 -11.747 -4.782 -7.739 89 HZ2 LYS 11 1HZ LYS 11 -11.620 -4.371 -6.149 90 HZ3 LYS 11 2HZ LYS 11 -10.434 -3.941 -7.201 91 H GLN 12 H GLN 12 -7.396 -5.190 -0.962 92 HA GLN 12 HA GLN 12 -8.310 -3.085 0.736 93 HB2 GLN 12 2HB GLN 12 -6.745 -5.579 1.174 94 HB3 GLN 12 3HB GLN 12 -6.841 -4.393 2.482 95 HG2 GLN 12 2HG GLN 12 -9.362 -5.295 1.054 96 HG3 GLN 12 3HG GLN 12 -8.656 -6.268 2.342 97 HE21 GLN 12 1HE2 GLN 12 -10.738 -3.583 1.707 98 HE22 GLN 12 2HE2 GLN 12 -10.758 -2.930 3.318 99 H VAL 13 H VAL 13 -5.250 -3.406 -0.971 100 HA VAL 13 HA VAL 13 -3.806 -1.555 0.789 101 HB VAL 13 HB VAL 13 -3.384 -2.520 -2.054 102 HG11 VAL 13 1HG1 VAL 13 -1.467 -0.928 -0.279 103 HG12 VAL 13 2HG1 VAL 13 -1.093 -1.576 -1.892 104 HG13 VAL 13 3HG1 VAL 13 -2.295 -0.292 -1.699 105 HG21 VAL 13 3HG2 VAL 13 -1.700 -3.165 0.393 106 HG22 VAL 13 1HG2 VAL 13 -2.993 -4.220 -0.182 107 HG23 VAL 13 2HG2 VAL 13 -1.597 -3.900 -1.217 108 H GLU 14 H GLU 14 -5.666 -1.444 -2.255 109 HA GLU 14 HA GLU 14 -5.273 1.331 -2.706 110 HB2 GLU 14 2HB GLU 14 -6.260 -0.729 -4.156 111 HB3 GLU 14 3HB GLU 14 -7.798 -0.083 -3.595 112 HG2 GLU 14 2HG GLU 14 -5.623 1.368 -5.157 113 HG3 GLU 14 3HG GLU 14 -7.181 0.780 -5.775 114 H TYR 15 H TYR 15 -7.691 -0.529 -0.902 115 HA TYR 15 HA TYR 15 -9.660 1.361 -0.529 116 HB2 TYR 15 2HB TYR 15 -10.385 -0.676 0.059 117 HB3 TYR 15 3HB TYR 15 -8.815 -1.177 0.655 118 HD1 TYR 15 HD1 TYR 15 -8.089 -0.874 2.913 119 HD2 TYR 15 HD2 TYR 15 -11.932 0.556 1.587 120 HE1 TYR 15 HE1 TYR 15 -8.600 -0.196 5.203 121 HE2 TYR 15 HE2 TYR 15 -12.496 1.197 3.906 122 HH TYR 15 HH TYR 15 -11.362 1.850 5.916 123 H TYR 16 H TYR 16 -6.644 0.852 1.377 124 HA TYR 16 HA TYR 16 -7.309 2.568 3.517 125 HB2 TYR 16 2HB TYR 16 -4.724 1.612 2.311 126 HB3 TYR 16 3HB TYR 16 -4.655 2.969 3.411 127 HD1 TYR 16 HD1 TYR 16 -5.821 2.756 5.676 128 HD2 TYR 16 HD2 TYR 16 -4.776 -0.608 3.199 129 HE1 TYR 16 HE1 TYR 16 -5.822 1.328 7.653 130 HE2 TYR 16 HE2 TYR 16 -4.755 -2.081 5.203 131 HH TYR 16 HH TYR 16 -5.396 -0.780 8.486 132 H PHE 17 H PHE 17 -6.374 3.449 0.254 133 HA PHE 17 HA PHE 17 -6.158 6.291 1.009 134 HB2 PHE 17 2HB PHE 17 -5.897 4.909 -1.699 135 HB3 PHE 17 3HB PHE 17 -5.588 6.611 -1.366 136 HD1 PHE 17 1HD PHE 17 -4.411 3.134 -0.755 137 HD2 PHE 17 2HD PHE 17 -3.498 7.335 -0.268 138 HE1 PHE 17 1HE PHE 17 -2.169 2.556 0.107 139 HE2 PHE 17 2HE PHE 17 -1.242 6.753 0.499 140 HZ PHE 17 HZ PHE 17 -0.607 4.369 0.815 141 H SER 18 H SER 18 -8.135 4.151 -0.994 142 HA SER 18 HA SER 18 -9.847 5.995 -2.115 143 HB2 SER 18 2HB SER 18 -9.510 3.602 -2.769 144 HB3 SER 18 3HB SER 18 -10.237 3.102 -1.250 145 HG SER 18 HG SER 18 -11.716 2.802 -2.722 146 H ASP 19 H ASP 19 -10.015 4.511 1.030 147 HA ASP 19 HA ASP 19 -12.743 5.276 1.636 148 HB2 ASP 19 2HB ASP 19 -11.495 3.235 2.282 149 HB3 ASP 19 3HB ASP 19 -10.411 4.212 3.277 150 H SER 20 H SER 20 -10.478 7.341 1.028 151 HA SER 20 HA SER 20 -9.587 9.252 1.763 152 HB2 SER 20 2HB SER 20 -12.008 9.825 1.618 153 HB3 SER 20 3HB SER 20 -12.167 9.486 3.355 154 HG SER 20 HG SER 20 -10.587 11.092 3.713 155 H ASN 21 H ASN 21 -9.062 6.743 3.424 156 HA ASN 21 HA ASN 21 -8.721 7.979 6.060 157 HB2 ASN 21 2HB ASN 21 -9.527 5.521 5.504 158 HB3 ASN 21 3HB ASN 21 -7.786 5.185 5.538 159 HD21 ASN 21 1HD2 ASN 21 -6.877 4.915 7.692 160 HD22 ASN 21 2HD2 ASN 21 -7.571 5.604 9.073 161 H PHE 22 H PHE 22 -6.841 7.790 3.163 162 HA PHE 22 HA PHE 22 -4.243 7.742 4.274 163 HB2 PHE 22 2HB PHE 22 -4.040 7.502 2.097 164 HB3 PHE 22 3HB PHE 22 -5.536 8.360 1.737 165 HD1 PHE 22 2HD PHE 22 -2.106 9.271 3.083 166 HD2 PHE 22 1HD PHE 22 -5.364 10.188 0.410 167 HE1 PHE 22 2HE PHE 22 -0.959 11.338 2.371 168 HE2 PHE 22 1HE PHE 22 -4.278 12.250 -0.237 169 HZ PHE 22 HZ PHE 22 -2.021 12.865 0.714 170 HA PRO 23 HA PRO 23 -4.311 12.394 4.598 171 HB2 PRO 23 2HB PRO 23 -6.629 13.878 4.698 172 HB3 PRO 23 3HB PRO 23 -5.793 13.446 3.168 173 HG2 PRO 23 2HG PRO 23 -8.106 11.995 4.500 174 HG3 PRO 23 3HG PRO 23 -7.986 12.535 2.793 175 HD2 PRO 23 2HD PRO 23 -7.379 10.000 3.473 176 HD3 PRO 23 3HD PRO 23 -6.391 10.874 2.288 177 H ARG 24 H ARG 24 -6.558 10.347 6.194 178 HA ARG 24 HA ARG 24 -6.896 11.942 8.617 179 HB2 ARG 24 2HB ARG 24 -8.568 10.347 7.388 180 HB3 ARG 24 3HB ARG 24 -7.624 9.030 8.086 181 HG2 ARG 24 2HG ARG 24 -8.092 10.127 10.381 182 HG3 ARG 24 3HG ARG 24 -9.261 11.159 9.499 183 HD2 ARG 24 2HD ARG 24 -10.169 8.974 8.484 184 HD3 ARG 24 3HD ARG 24 -9.162 8.123 9.678 185 HE ARG 24 HE ARG 24 -10.829 10.009 11.002 186 HH11 ARG 24 2HH2 ARG 24 -10.944 6.964 9.217 187 HH12 ARG 24 1HH2 ARG 24 -12.360 6.349 9.977 188 HH21 ARG 24 2HH1 ARG 24 -12.772 9.223 12.068 189 HH22 ARG 24 1HH1 ARG 24 -13.422 7.679 11.655 190 H ASP 25 H ASP 25 -5.279 8.882 7.588 191 HA ASP 25 HA ASP 25 -4.287 8.370 10.267 192 HB2 ASP 25 2HB ASP 25 -3.877 7.077 7.565 193 HB3 ASP 25 3HB ASP 25 -2.967 6.565 8.988 194 H LYS 26 H LYS 26 -2.844 9.885 10.878 195 HA LYS 26 HA LYS 26 -0.805 11.085 9.438 196 HB2 LYS 26 2HB LYS 26 0.327 11.553 11.449 197 HB3 LYS 26 3HB LYS 26 -1.400 11.662 11.751 198 HG2 LYS 26 2HG LYS 26 0.429 9.360 12.585 199 HG3 LYS 26 3HG LYS 26 -0.165 10.662 13.610 200 HD2 LYS 26 2HD LYS 26 -2.551 9.832 13.057 201 HD3 LYS 26 3HD LYS 26 -1.761 8.397 12.377 202 HE2 LYS 26 2HE LYS 26 -2.301 7.804 14.596 203 HE3 LYS 26 3HE LYS 26 -0.559 8.115 14.596 204 HZ1 LYS 26 3HZ LYS 26 -2.655 9.990 15.510 205 HZ2 LYS 26 1HZ LYS 26 -1.644 9.131 16.479 206 HZ3 LYS 26 2HZ LYS 26 -1.040 10.311 15.508 207 H PHE 27 H PHE 27 -0.965 7.743 10.326 208 HA PHE 27 HA PHE 27 1.754 6.978 10.000 209 HB2 PHE 27 2HB PHE 27 -0.194 5.675 11.017 210 HB3 PHE 27 3HB PHE 27 -0.773 5.383 9.387 211 HD1 PHE 27 1HD PHE 27 2.563 5.235 11.164 212 HD2 PHE 27 2HD PHE 27 -0.300 3.176 8.671 213 HE1 PHE 27 1HE PHE 27 4.017 3.250 11.135 214 HE2 PHE 27 2HE PHE 27 1.150 1.167 8.683 215 HZ PHE 27 HZ PHE 27 3.312 1.202 9.927 216 H LEU 28 H LEU 28 -1.036 7.051 7.667 217 HA LEU 28 HA LEU 28 0.649 6.199 5.444 218 HB2 LEU 28 2HB LEU 28 -2.064 7.580 5.548 219 HB3 LEU 28 3HB LEU 28 -1.191 7.235 4.047 220 HG LEU 28 HG LEU 28 -1.210 4.830 5.607 221 HD11 LEU 28 1HD1 LEU 28 -3.873 4.566 5.098 222 HD12 LEU 28 2HD1 LEU 28 -3.234 5.066 6.674 223 HD13 LEU 28 3HD1 LEU 28 -3.861 6.250 5.533 224 HD21 LEU 28 3HD2 LEU 28 -2.175 3.926 3.538 225 HD22 LEU 28 1HD2 LEU 28 -2.583 5.562 2.995 226 HD23 LEU 28 2HD2 LEU 28 -0.880 5.071 3.174 227 H ARG 29 H ARG 29 -0.678 9.315 6.506 228 HA ARG 29 HA ARG 29 0.448 10.916 4.528 229 HB2 ARG 29 2HB ARG 29 -0.365 11.517 7.379 230 HB3 ARG 29 3HB ARG 29 0.284 12.772 6.327 231 HG2 ARG 29 2HG ARG 29 -1.687 11.269 4.831 232 HG3 ARG 29 3HG ARG 29 -2.389 11.680 6.386 233 HD2 ARG 29 2HD ARG 29 -0.925 13.923 5.043 234 HD3 ARG 29 3HD ARG 29 -2.323 13.310 4.158 235 HE ARG 29 HE ARG 29 -3.301 13.507 6.677 236 HH11 ARG 29 2HH2 ARG 29 -1.658 15.897 4.673 237 HH12 ARG 29 1HH2 ARG 29 -2.674 17.214 5.153 238 HH21 ARG 29 2HH1 ARG 29 -4.717 15.100 7.192 239 HH22 ARG 29 1HH1 ARG 29 -4.461 16.761 6.734 240 H SER 30 H SER 30 2.106 9.714 7.455 241 HA SER 30 HA SER 30 4.411 11.395 7.201 242 HB2 SER 30 2HB SER 30 4.211 9.971 9.158 243 HB3 SER 30 3HB SER 30 3.900 8.534 8.178 244 HG SER 30 HG SER 30 5.992 8.341 7.681 245 H GLU 31 H GLU 31 3.630 8.227 5.709 246 HA GLU 31 HA GLU 31 6.191 8.193 4.400 247 HB2 GLU 31 2HB GLU 31 3.961 6.402 4.874 248 HB3 GLU 31 3HB GLU 31 4.296 6.419 3.147 249 HG2 GLU 31 2HG GLU 31 5.614 4.709 4.262 250 HG3 GLU 31 3HG GLU 31 6.663 5.954 3.564 251 H ALA 32 H ALA 32 2.871 8.923 3.390 252 HA ALA 32 HA ALA 32 3.262 9.374 0.660 253 HB1 ALA 32 1HB ALA 32 1.405 10.805 2.609 254 HB2 ALA 32 2HB ALA 32 1.162 10.670 0.867 255 HB3 ALA 32 3HB ALA 32 1.077 9.218 1.866 256 H ALA 33 H ALA 33 3.831 11.494 3.489 257 HA ALA 33 HA ALA 33 4.206 13.923 2.096 258 HB1 ALA 33 1HB ALA 33 3.652 13.921 4.435 259 HB2 ALA 33 2HB ALA 33 5.100 12.983 4.857 260 HB3 ALA 33 3HB ALA 33 5.251 14.653 4.264 261 H LYS 34 H LYS 34 6.239 11.233 1.711 262 HA LYS 34 HA LYS 34 8.671 12.877 1.535 263 HB2 LYS 34 2HB LYS 34 7.971 9.997 1.298 264 HB3 LYS 34 3HB LYS 34 9.064 10.554 0.041 265 HG2 LYS 34 2HG LYS 34 10.397 9.811 1.926 266 HG3 LYS 34 3HG LYS 34 10.539 11.565 1.764 267 HD2 LYS 34 2HD LYS 34 8.489 11.516 3.527 268 HD3 LYS 34 3HD LYS 34 9.171 9.939 3.911 269 HE2 LYS 34 2HE LYS 34 10.630 12.624 3.882 270 HE3 LYS 34 3HE LYS 34 10.078 11.771 5.330 271 HZ1 LYS 34 3HZ LYS 34 12.420 11.414 4.900 272 HZ2 LYS 34 1HZ LYS 34 11.598 9.991 4.803 273 HZ3 LYS 34 2HZ LYS 34 12.095 10.755 3.429 274 H ASN 35 H ASN 35 6.070 11.700 -0.640 275 HA ASN 35 HA ASN 35 6.691 13.949 -2.374 276 HB2 ASN 35 2HB ASN 35 7.044 11.122 -3.393 277 HB3 ASN 35 3HB ASN 35 6.610 12.450 -4.472 278 HD21 ASN 35 1HD2 ASN 35 8.092 14.474 -4.384 279 HD22 ASN 35 2HD2 ASN 35 9.793 14.093 -4.184 280 H VAL 36 H VAL 36 4.691 14.342 -1.172 281 HA VAL 36 HA VAL 36 2.512 14.769 -1.180 282 HB VAL 36 HB VAL 36 2.823 13.957 -4.073 283 HG11 VAL 36 1HG1 VAL 36 0.419 15.248 -2.724 284 HG12 VAL 36 2HG1 VAL 36 0.684 15.159 -4.481 285 HG13 VAL 36 3HG1 VAL 36 0.449 13.675 -3.556 286 HG21 VAL 36 3HG2 VAL 36 2.760 16.385 -4.439 287 HG22 VAL 36 1HG2 VAL 36 2.581 16.657 -2.694 288 HG23 VAL 36 2HG2 VAL 36 4.078 15.952 -3.343 289 H ASP 37 H ASP 37 2.448 11.893 -3.242 290 HA ASP 37 HA ASP 37 1.779 10.110 -1.133 291 HB2 ASP 37 2HB ASP 37 -0.457 11.405 -1.543 292 HB3 ASP 37 3HB ASP 37 -0.568 10.474 -3.031 293 H ASN 38 H ASN 38 3.706 10.331 -3.102 294 HA ASN 38 HA ASN 38 3.156 8.138 -5.030 295 HB2 ASN 38 2HB ASN 38 5.252 10.348 -5.058 296 HB3 ASN 38 3HB ASN 38 5.173 9.023 -6.210 297 HD21 ASN 38 1HD2 ASN 38 3.724 12.089 -5.281 298 HD22 ASN 38 2HD2 ASN 38 2.648 12.162 -6.679 299 H TYR 39 H TYR 39 4.617 8.676 -1.993 300 HA TYR 39 HA TYR 39 6.678 6.599 -2.495 301 HB2 TYR 39 2HB TYR 39 6.959 9.312 -1.199 302 HB3 TYR 39 3HB TYR 39 7.861 7.947 -0.570 303 HD1 TYR 39 HD1 TYR 39 7.196 8.795 -4.220 304 HD2 TYR 39 HD2 TYR 39 10.095 8.453 -1.048 305 HE1 TYR 39 HE1 TYR 39 8.995 9.128 -5.846 306 HE2 TYR 39 HE2 TYR 39 11.906 8.813 -2.681 307 HH TYR 39 HH TYR 39 12.422 9.339 -4.917 308 H ILE 40 H ILE 40 6.104 4.857 -1.276 309 HA ILE 40 HA ILE 40 4.874 5.317 1.347 310 HB ILE 40 HB ILE 40 3.625 3.404 -0.665 311 HG12 ILE 40 2HG1 ILE 40 2.368 5.994 0.320 312 HG13 ILE 40 3HG1 ILE 40 3.188 5.888 -1.237 313 HG21 ILE 40 1HG2 ILE 40 3.517 2.869 1.820 314 HG22 ILE 40 2HG2 ILE 40 2.697 4.415 2.073 315 HG23 ILE 40 3HG2 ILE 40 1.930 3.136 1.112 316 HD11 ILE 40 3HD1 ILE 40 0.673 5.607 -1.283 317 HD12 ILE 40 1HD1 ILE 40 1.629 4.389 -2.163 318 HD13 ILE 40 2HD1 ILE 40 0.930 3.995 -0.596 319 H SER 41 H SER 41 6.509 4.367 2.534 320 HA SER 41 HA SER 41 8.248 2.341 1.825 321 HB2 SER 41 2HB SER 41 8.441 3.873 3.776 322 HB3 SER 41 3HB SER 41 7.107 2.997 4.561 323 HG SER 41 HG SER 41 9.126 2.248 5.212 324 H ILE 42 H ILE 42 7.986 0.197 1.536 325 HA ILE 42 HA ILE 42 5.530 -1.161 2.079 326 HB ILE 42 HB ILE 42 6.675 -3.207 1.638 327 HG12 ILE 42 2HG1 ILE 42 9.250 -2.891 0.997 328 HG13 ILE 42 3HG1 ILE 42 9.193 -1.658 2.257 329 HG21 ILE 42 1HG2 ILE 42 6.117 -1.525 -0.158 330 HG22 ILE 42 2HG2 ILE 42 7.819 -1.063 -0.185 331 HG23 ILE 42 3HG2 ILE 42 7.352 -2.724 -0.595 332 HD11 ILE 42 3HD1 ILE 42 8.407 -4.601 2.543 333 HD12 ILE 42 1HD1 ILE 42 9.925 -3.875 3.097 334 HD13 ILE 42 2HD1 ILE 42 8.402 -3.416 3.867 335 H ASP 43 H ASP 43 7.858 0.056 4.319 336 HA ASP 43 HA ASP 43 7.463 -1.960 6.360 337 HB2 ASP 43 2HB ASP 43 9.289 -0.255 6.423 338 HB3 ASP 43 3HB ASP 43 8.069 1.010 6.662 339 H VAL 44 H VAL 44 5.679 1.041 5.396 340 HA VAL 44 HA VAL 44 3.958 1.074 7.661 341 HB VAL 44 HB VAL 44 4.324 2.462 5.019 342 HG11 VAL 44 1HG1 VAL 44 2.020 2.041 4.777 343 HG12 VAL 44 2HG1 VAL 44 1.677 2.528 6.460 344 HG13 VAL 44 3HG1 VAL 44 2.232 3.726 5.263 345 HG21 VAL 44 3HG2 VAL 44 5.360 3.292 7.101 346 HG22 VAL 44 1HG2 VAL 44 4.205 4.455 6.422 347 HG23 VAL 44 2HG2 VAL 44 3.744 3.479 7.820 348 H ILE 45 H ILE 45 3.756 -0.101 4.309 349 HA ILE 45 HA ILE 45 1.012 -0.971 4.556 350 HB ILE 45 HB ILE 45 3.102 -1.986 2.627 351 HG12 ILE 45 2HG1 ILE 45 1.389 0.394 1.838 352 HG13 ILE 45 3HG1 ILE 45 2.822 0.710 2.776 353 HG21 ILE 45 1HG2 ILE 45 0.102 -1.501 2.242 354 HG22 ILE 45 2HG2 ILE 45 1.201 -2.227 1.046 355 HG23 ILE 45 3HG2 ILE 45 0.844 -3.067 2.565 356 HD11 ILE 45 3HD1 ILE 45 3.787 -0.989 0.764 357 HD12 ILE 45 1HD1 ILE 45 2.636 0.083 -0.055 358 HD13 ILE 45 2HD1 ILE 45 3.988 0.748 0.871 359 H ALA 46 H ALA 46 4.148 -2.657 4.991 360 HA ALA 46 HA ALA 46 2.915 -5.225 5.396 361 HB1 ALA 46 1HB ALA 46 5.580 -4.091 6.393 362 HB2 ALA 46 2HB ALA 46 5.101 -5.803 6.433 363 HB3 ALA 46 3HB ALA 46 5.331 -4.977 4.874 364 H SER 47 H SER 47 3.663 -2.430 7.415 365 HA SER 47 HA SER 47 3.211 -3.768 9.941 366 HB2 SER 47 2HB SER 47 4.759 -1.896 9.639 367 HB3 SER 47 3HB SER 47 3.415 -0.832 9.184 368 HG SER 47 HG SER 47 4.211 -0.766 11.413 369 H PHE 48 H PHE 48 1.100 -2.234 7.577 370 HA PHE 48 HA PHE 48 -1.009 -1.424 9.254 371 HB2 PHE 48 2HB PHE 48 -0.713 -2.344 6.410 372 HB3 PHE 48 3HB PHE 48 -2.347 -2.440 7.067 373 HD1 PHE 48 2HD PHE 48 -2.286 0.155 8.769 374 HD2 PHE 48 1HD PHE 48 -1.151 -0.859 4.720 375 HE1 PHE 48 2HE PHE 48 -2.800 2.455 8.035 376 HE2 PHE 48 1HE PHE 48 -1.651 1.454 4.007 377 HZ PHE 48 HZ PHE 48 -2.488 3.068 5.666 378 H ASN 49 H ASN 49 -2.181 -2.592 10.720 379 HA ASN 49 HA ASN 49 -1.925 -5.300 11.102 380 HB2 ASN 49 2HB ASN 49 -4.032 -3.333 11.944 381 HB3 ASN 49 3HB ASN 49 -4.410 -5.051 12.102 382 HD21 ASN 49 1HD2 ASN 49 -2.909 -2.484 13.795 383 HD22 ASN 49 2HD2 ASN 49 -1.963 -3.519 14.845 384 H ARG 50 H ARG 50 -4.542 -3.841 9.069 385 HA ARG 50 HA ARG 50 -5.774 -6.357 8.413 386 HB2 ARG 50 2HB ARG 50 -5.586 -3.782 6.774 387 HB3 ARG 50 3HB ARG 50 -6.635 -5.150 6.403 388 HG2 ARG 50 2HG ARG 50 -7.804 -4.840 8.580 389 HG3 ARG 50 3HG ARG 50 -6.817 -3.394 8.886 390 HD2 ARG 50 2HD ARG 50 -7.652 -2.365 6.794 391 HD3 ARG 50 3HD ARG 50 -8.610 -3.798 6.444 392 HE ARG 50 HE ARG 50 -9.244 -1.636 8.240 393 HH11 ARG 50 2HH2 ARG 50 -9.912 -4.999 7.446 394 HH12 ARG 50 1HH2 ARG 50 -11.393 -5.104 8.332 395 HH21 ARG 50 2HH1 ARG 50 -11.257 -1.704 9.390 396 HH22 ARG 50 1HH1 ARG 50 -12.186 -3.156 9.447 397 H MET 51 H MET 51 -2.890 -4.780 7.102 398 HA MET 51 HA MET 51 -2.807 -6.414 4.692 399 HB2 MET 51 2HB MET 51 -0.776 -4.637 6.094 400 HB3 MET 51 3HB MET 51 -0.431 -5.511 4.604 401 HG2 MET 51 2HG MET 51 -2.716 -3.523 4.920 402 HG3 MET 51 3HG MET 51 -1.141 -3.138 4.222 403 HE1 MET 51 3HE MET 51 -4.635 -4.503 3.662 404 HE2 MET 51 1HE MET 51 -4.248 -2.954 2.864 405 HE3 MET 51 2HE MET 51 -4.626 -4.392 1.887 406 H LYS 52 H LYS 52 -0.879 -6.299 7.750 407 HA LYS 52 HA LYS 52 0.581 -8.627 7.360 408 HB2 LYS 52 2HB LYS 52 0.866 -6.948 9.219 409 HB3 LYS 52 3HB LYS 52 -0.610 -7.577 9.966 410 HG2 LYS 52 2HG LYS 52 0.554 -9.874 9.988 411 HG3 LYS 52 3HG LYS 52 2.043 -9.022 9.555 412 HD2 LYS 52 2HD LYS 52 1.906 -7.682 11.597 413 HD3 LYS 52 3HD LYS 52 0.319 -8.360 11.992 414 HE2 LYS 52 2HE LYS 52 2.922 -9.939 11.800 415 HE3 LYS 52 3HE LYS 52 2.150 -9.409 13.302 416 HZ1 LYS 52 3HZ LYS 52 1.592 -11.677 12.829 417 HZ2 LYS 52 1HZ LYS 52 0.230 -10.763 12.702 418 HZ3 LYS 52 2HZ LYS 52 0.998 -11.299 11.347 419 H THR 53 H THR 53 -2.767 -8.348 8.641 420 HA THR 53 HA THR 53 -2.873 -11.171 9.286 421 HB THR 53 HB THR 53 -5.354 -10.656 9.540 422 HG1 THR 53 1HG THR 53 -4.734 -7.978 9.441 423 HG21 THR 53 1HG2 THR 53 -4.902 -9.205 11.536 424 HG22 THR 53 2HG2 THR 53 -3.744 -10.547 11.390 425 HG23 THR 53 3HG2 THR 53 -3.253 -8.913 10.915 426 H ILE 54 H ILE 54 -4.388 -9.212 6.659 427 HA ILE 54 HA ILE 54 -5.567 -11.490 5.432 428 HB ILE 54 HB ILE 54 -4.795 -8.794 4.264 429 HG12 ILE 54 2HG1 ILE 54 -7.527 -9.848 5.145 430 HG13 ILE 54 3HG1 ILE 54 -6.486 -8.916 6.208 431 HG21 ILE 54 1HG2 ILE 54 -6.436 -9.295 2.451 432 HG22 ILE 54 2HG2 ILE 54 -5.103 -10.440 2.426 433 HG23 ILE 54 3HG2 ILE 54 -6.661 -10.926 3.116 434 HD11 ILE 54 3HD1 ILE 54 -6.489 -7.049 4.492 435 HD12 ILE 54 1HD1 ILE 54 -7.746 -7.957 3.621 436 HD13 ILE 54 2HD1 ILE 54 -8.051 -7.384 5.265 437 H SER 55 H SER 55 -2.319 -10.174 5.152 438 HA SER 55 HA SER 55 -1.631 -11.924 2.876 439 HB2 SER 55 2HB SER 55 0.622 -11.065 3.136 440 HB3 SER 55 3HB SER 55 -0.466 -9.684 3.313 441 HG SER 55 HG SER 55 -0.083 -9.584 5.393 442 H THR 56 H THR 56 -1.155 -11.842 6.346 443 HA THR 56 HA THR 56 -0.232 -13.214 7.824 444 HB THR 56 HB THR 56 -1.126 -15.235 5.757 445 HG1 THR 56 1HG THR 56 -2.601 -13.928 7.016 446 HG21 THR 56 1HG2 THR 56 -1.009 -16.932 7.625 447 HG22 THR 56 2HG2 THR 56 0.579 -16.461 7.008 448 HG23 THR 56 3HG2 THR 56 -0.011 -15.789 8.549 449 H ASP 57 H ASP 57 1.368 -12.272 5.041 450 HA ASP 57 HA ASP 57 3.897 -13.323 5.956 451 HB2 ASP 57 2HB ASP 57 2.861 -15.263 4.718 452 HB3 ASP 57 3HB ASP 57 2.774 -14.245 3.275 453 H LEU 58 H LEU 58 5.473 -12.050 5.226 454 HA LEU 58 HA LEU 58 5.021 -9.484 3.969 455 HB2 LEU 58 2HB LEU 58 7.420 -11.136 4.791 456 HB3 LEU 58 3HB LEU 58 7.669 -9.735 3.757 457 HG LEU 58 HG LEU 58 6.008 -9.365 6.247 458 HD11 LEU 58 1HD1 LEU 58 9.055 -9.470 6.185 459 HD12 LEU 58 2HD1 LEU 58 8.066 -8.869 7.536 460 HD13 LEU 58 3HD1 LEU 58 7.977 -10.575 7.069 461 HD21 LEU 58 3HD2 LEU 58 6.281 -7.525 4.585 462 HD22 LEU 58 1HD2 LEU 58 7.045 -7.120 6.136 463 HD23 LEU 58 2HD2 LEU 58 8.044 -7.629 4.767 464 H GLN 59 H GLN 59 5.631 -12.656 2.807 465 HA GLN 59 HA GLN 59 6.767 -12.055 0.262 466 HB2 GLN 59 2HB GLN 59 6.769 -14.282 1.471 467 HB3 GLN 59 3HB GLN 59 5.039 -14.402 1.133 468 HG2 GLN 59 2HG GLN 59 6.162 -15.734 -0.500 469 HG3 GLN 59 3HG GLN 59 5.561 -14.307 -1.341 470 HE21 GLN 59 1HE2 GLN 59 7.179 -12.556 -1.883 471 HE22 GLN 59 2HE2 GLN 59 8.872 -13.047 -1.988 472 H LEU 60 H LEU 60 3.425 -12.754 1.398 473 HA LEU 60 HA LEU 60 2.180 -12.276 -1.167 474 HB2 LEU 60 2HB LEU 60 1.360 -12.968 1.618 475 HB3 LEU 60 3HB LEU 60 0.275 -11.822 0.867 476 HG LEU 60 HG LEU 60 -0.512 -14.086 0.538 477 HD11 LEU 60 1HD1 LEU 60 0.460 -13.018 -2.139 478 HD12 LEU 60 2HD1 LEU 60 -0.979 -13.979 -1.825 479 HD13 LEU 60 3HD1 LEU 60 -0.883 -12.316 -1.227 480 HD21 LEU 60 3HD2 LEU 60 1.636 -15.282 0.572 481 HD22 LEU 60 1HD2 LEU 60 0.713 -15.695 -0.889 482 HD23 LEU 60 2HD2 LEU 60 2.078 -14.576 -0.994 483 H ILE 61 H ILE 61 2.976 -10.273 1.642 484 HA ILE 61 HA ILE 61 1.400 -8.051 0.675 485 HB ILE 61 HB ILE 61 2.849 -8.666 3.010 486 HG12 ILE 61 2HG1 ILE 61 0.641 -7.633 2.819 487 HG13 ILE 61 3HG1 ILE 61 1.693 -6.776 3.942 488 HG21 ILE 61 1HG2 ILE 61 4.890 -7.577 2.249 489 HG22 ILE 61 2HG2 ILE 61 4.003 -6.094 1.859 490 HG23 ILE 61 3HG2 ILE 61 4.125 -6.647 3.539 491 HD11 ILE 61 3HD1 ILE 61 2.092 -5.001 2.320 492 HD12 ILE 61 1HD1 ILE 61 1.208 -5.887 1.055 493 HD13 ILE 61 2HD1 ILE 61 0.348 -5.272 2.463 494 H THR 62 H THR 62 4.653 -9.203 0.039 495 HA THR 62 HA THR 62 5.423 -6.722 -1.336 496 HB THR 62 HB THR 62 6.752 -9.463 -1.263 497 HG1 THR 62 1HG THR 62 6.754 -8.386 0.704 498 HG21 THR 62 1HG2 THR 62 7.769 -6.769 -2.285 499 HG22 THR 62 2HG2 THR 62 8.765 -8.219 -2.051 500 HG23 THR 62 3HG2 THR 62 7.482 -8.219 -3.277 501 H GLU 63 H GLU 63 4.144 -9.962 -2.235 502 HA GLU 63 HA GLU 63 4.435 -9.489 -5.062 503 HB2 GLU 63 2HB GLU 63 4.043 -11.785 -3.964 504 HB3 GLU 63 3HB GLU 63 2.343 -11.294 -3.789 505 HG2 GLU 63 2HG GLU 63 2.488 -10.722 -6.351 506 HG3 GLU 63 3HG GLU 63 3.997 -11.616 -6.340 507 H ALA 64 H ALA 64 1.888 -8.864 -2.704 508 HA ALA 64 HA ALA 64 -0.232 -8.171 -4.430 509 HB1 ALA 64 1HB ALA 64 -1.040 -6.757 -2.589 510 HB2 ALA 64 2HB ALA 64 -0.422 -8.316 -1.981 511 HB3 ALA 64 3HB ALA 64 0.549 -6.839 -1.799 512 H LEU 65 H LEU 65 2.430 -6.126 -3.182 513 HA LEU 65 HA LEU 65 1.665 -3.735 -4.607 514 HB2 LEU 65 2HB LEU 65 4.274 -4.739 -3.399 515 HB3 LEU 65 3HB LEU 65 4.115 -3.161 -4.157 516 HG LEU 65 HG LEU 65 2.447 -4.091 -1.781 517 HD11 LEU 65 1HD1 LEU 65 4.703 -2.051 -1.843 518 HD12 LEU 65 2HD1 LEU 65 3.868 -2.759 -0.430 519 HD13 LEU 65 3HD1 LEU 65 4.948 -3.760 -1.391 520 HD21 LEU 65 3HD2 LEU 65 2.664 -1.488 -3.340 521 HD22 LEU 65 1HD2 LEU 65 1.194 -2.394 -2.919 522 HD23 LEU 65 2HD2 LEU 65 2.084 -1.519 -1.664 523 H LYS 66 H LYS 66 3.916 -6.397 -5.305 524 HA LYS 66 HA LYS 66 4.963 -5.240 -7.715 525 HB2 LYS 66 2HB LYS 66 5.343 -7.652 -6.182 526 HB3 LYS 66 3HB LYS 66 5.142 -8.086 -7.885 527 HG2 LYS 66 2HG LYS 66 6.898 -6.517 -8.540 528 HG3 LYS 66 3HG LYS 66 7.022 -5.897 -6.881 529 HD2 LYS 66 2HD LYS 66 7.843 -8.046 -6.076 530 HD3 LYS 66 3HD LYS 66 7.626 -8.771 -7.690 531 HE2 LYS 66 2HE LYS 66 9.240 -7.168 -8.648 532 HE3 LYS 66 3HE LYS 66 9.428 -6.381 -7.074 533 HZ1 LYS 66 3HZ LYS 66 10.365 -8.415 -6.219 534 HZ2 LYS 66 1HZ LYS 66 10.159 -9.179 -7.666 535 HZ3 LYS 66 2HZ LYS 66 11.211 -7.922 -7.538 536 H LYS 67 H LYS 67 1.967 -6.952 -7.161 537 HA LYS 67 HA LYS 67 1.488 -6.959 -10.117 538 HB2 LYS 67 2HB LYS 67 0.135 -8.456 -7.826 539 HB3 LYS 67 3HB LYS 67 -0.388 -8.509 -9.517 540 HG2 LYS 67 2HG LYS 67 1.784 -9.475 -10.185 541 HG3 LYS 67 3HG LYS 67 2.310 -9.487 -8.489 542 HD2 LYS 67 2HD LYS 67 0.490 -10.996 -7.877 543 HD3 LYS 67 3HD LYS 67 -0.211 -10.880 -9.503 544 HE2 LYS 67 2HE LYS 67 1.782 -11.946 -10.476 545 HE3 LYS 67 3HE LYS 67 2.528 -12.050 -8.866 546 HZ1 LYS 67 3HZ LYS 67 0.882 -13.521 -8.162 547 HZ2 LYS 67 1HZ LYS 67 -0.019 -13.380 -9.563 548 HZ3 LYS 67 2HZ LYS 67 1.461 -14.104 -9.549 549 H SER 68 H SER 68 1.390 -4.387 -8.605 550 HA SER 68 HA SER 68 -1.023 -3.970 -7.419 551 HB2 SER 68 2HB SER 68 -0.510 -1.513 -7.888 552 HB3 SER 68 3HB SER 68 0.671 -2.435 -6.988 553 HG SER 68 HG SER 68 0.753 -1.543 -9.644 554 H THR 69 H THR 69 -2.935 -2.936 -7.924 555 HA THR 69 HA THR 69 -3.819 -3.296 -10.715 556 HB THR 69 HB THR 69 -4.879 -4.653 -9.032 557 HG1 THR 69 1HG THR 69 -6.171 -4.087 -10.701 558 HG21 THR 69 1HG2 THR 69 -4.745 -2.749 -7.132 559 HG22 THR 69 2HG2 THR 69 -6.331 -2.331 -7.745 560 HG23 THR 69 3HG2 THR 69 -6.038 -3.943 -7.100 561 H ARG 70 H ARG 70 -4.152 -0.893 -8.052 562 HA ARG 70 HA ARG 70 -4.773 1.159 -10.138 563 HB2 ARG 70 2HB ARG 70 -5.738 0.740 -7.330 564 HB3 ARG 70 3HB ARG 70 -5.606 2.391 -7.939 565 HG2 ARG 70 2HG ARG 70 -7.812 1.829 -8.383 566 HG3 ARG 70 3HG ARG 70 -7.000 1.671 -9.939 567 HD2 ARG 70 2HD ARG 70 -6.829 -0.857 -9.424 568 HD3 ARG 70 3HD ARG 70 -7.886 -0.544 -8.049 569 HE ARG 70 HE ARG 70 -9.665 -0.206 -9.472 570 HH11 ARG 70 2HH2 ARG 70 -6.678 -0.560 -11.398 571 HH12 ARG 70 1HH2 ARG 70 -7.487 -0.506 -12.912 572 HH21 ARG 70 2HH1 ARG 70 -10.742 -0.149 -11.509 573 HH22 ARG 70 1HH1 ARG 70 -9.855 -0.312 -12.978 574 H LEU 71 H LEU 71 -2.199 0.017 -8.226 575 HA LEU 71 HA LEU 71 -1.150 2.755 -7.920 576 HB2 LEU 71 2HB LEU 71 -0.351 0.440 -6.136 577 HB3 LEU 71 3HB LEU 71 -0.179 2.154 -5.884 578 HG LEU 71 HG LEU 71 -2.832 0.665 -5.762 579 HD11 LEU 71 1HD1 LEU 71 -2.633 1.104 -3.339 580 HD12 LEU 71 2HD1 LEU 71 -1.352 0.020 -3.934 581 HD13 LEU 71 3HD1 LEU 71 -0.990 1.726 -3.580 582 HD21 LEU 71 3HD2 LEU 71 -3.085 3.105 -6.323 583 HD22 LEU 71 1HD2 LEU 71 -3.706 2.710 -4.723 584 HD23 LEU 71 2HD2 LEU 71 -2.124 3.483 -4.862 585 H GLN 72 H GLN 72 1.424 2.395 -7.781 586 HA GLN 72 HA GLN 72 2.305 0.208 -9.583 587 HB2 GLN 72 2HB GLN 72 1.797 2.241 -10.985 588 HB3 GLN 72 3HB GLN 72 2.924 3.174 -9.995 589 HG2 GLN 72 2HG GLN 72 4.757 1.571 -10.694 590 HG3 GLN 72 3HG GLN 72 3.592 0.779 -11.759 591 HE21 GLN 72 1HE2 GLN 72 3.358 1.645 -13.856 592 HE22 GLN 72 2HE2 GLN 72 4.015 3.197 -14.316 593 H VAL 73 H VAL 73 3.969 -0.760 -8.532 594 HA VAL 73 HA VAL 73 5.359 0.722 -6.402 595 HB VAL 73 HB VAL 73 4.452 -1.507 -5.982 596 HG11 VAL 73 1HG1 VAL 73 5.629 -3.500 -6.820 597 HG12 VAL 73 2HG1 VAL 73 4.746 -2.657 -8.107 598 HG13 VAL 73 3HG1 VAL 73 6.517 -2.510 -7.984 599 HG21 VAL 73 3HG2 VAL 73 6.064 -1.879 -4.451 600 HG22 VAL 73 1HG2 VAL 73 7.278 -2.229 -5.693 601 HG23 VAL 73 2HG2 VAL 73 6.978 -0.567 -5.194 602 H SER 74 H SER 74 7.483 1.184 -6.448 603 HA SER 74 HA SER 74 8.952 1.392 -8.930 604 HB2 SER 74 2HB SER 74 9.336 2.930 -7.044 605 HB3 SER 74 3HB SER 74 9.811 1.566 -6.010 606 HG SER 74 HG SER 74 11.576 2.764 -7.026 607 H GLU 75 H GLU 75 10.890 0.235 -9.420 608 HA GLU 75 HA GLU 75 10.892 -2.604 -8.998 609 HB2 GLU 75 2HB GLU 75 12.993 -0.605 -9.927 610 HB3 GLU 75 3HB GLU 75 13.276 -2.355 -9.863 611 HG2 GLU 75 2HG GLU 75 11.418 -2.770 -11.401 612 HG3 GLU 75 3HG GLU 75 11.008 -1.050 -11.431 613 H ASP 76 H ASP 76 11.944 0.131 -7.012 614 HA ASP 76 HA ASP 76 13.947 -1.342 -5.542 615 HB2 ASP 76 2HB ASP 76 13.635 1.220 -5.761 616 HB3 ASP 76 3HB ASP 76 12.383 1.056 -4.527 617 H GLY 77 H GLY 77 10.454 -1.298 -5.540 618 HA2 GLY 77 2HA GLY 77 8.869 -2.205 -4.092 619 HA3 GLY 77 3HA GLY 77 10.147 -3.347 -3.624 620 H LYS 78 H LYS 78 10.451 0.097 -3.214 621 HA LYS 78 HA LYS 78 9.787 -0.038 -0.289 622 HB2 LYS 78 2HB LYS 78 11.994 1.373 -1.798 623 HB3 LYS 78 3HB LYS 78 11.559 1.815 -0.155 624 HG2 LYS 78 2HG LYS 78 12.096 -1.106 -0.718 625 HG3 LYS 78 3HG LYS 78 13.469 -0.025 -0.648 626 HD2 LYS 78 2HD LYS 78 11.355 -0.054 1.538 627 HD3 LYS 78 3HD LYS 78 12.725 -1.168 1.557 628 HE2 LYS 78 2HE LYS 78 12.970 1.870 1.409 629 HE3 LYS 78 3HE LYS 78 13.105 0.923 2.897 630 HZ1 LYS 78 3HZ LYS 78 14.984 -0.227 1.900 631 HZ2 LYS 78 1HZ LYS 78 14.867 0.687 0.537 632 HZ3 LYS 78 2HZ LYS 78 15.264 1.393 1.967 633 H MET 79 H MET 79 8.949 1.396 -3.354 634 HA MET 79 HA MET 79 7.137 3.071 -1.824 635 HB2 MET 79 2HB MET 79 9.115 4.189 -3.909 636 HB3 MET 79 3HB MET 79 7.646 5.024 -3.447 637 HG2 MET 79 2HG MET 79 9.085 6.060 -2.034 638 HG3 MET 79 3HG MET 79 8.587 4.741 -0.988 639 HE1 MET 79 3HE MET 79 10.480 4.669 0.653 640 HE2 MET 79 1HE MET 79 12.175 5.029 0.244 641 HE3 MET 79 2HE MET 79 10.914 6.255 -0.032 642 H VAL 80 H VAL 80 5.402 3.987 -3.068 643 HA VAL 80 HA VAL 80 4.729 2.483 -5.470 644 HB VAL 80 HB VAL 80 2.990 2.504 -2.968 645 HG11 VAL 80 1HG1 VAL 80 2.990 0.674 -5.406 646 HG12 VAL 80 2HG1 VAL 80 1.795 0.699 -4.091 647 HG13 VAL 80 3HG1 VAL 80 1.930 2.080 -5.188 648 HG21 VAL 80 3HG2 VAL 80 3.634 0.215 -2.477 649 HG22 VAL 80 1HG2 VAL 80 4.854 0.243 -3.778 650 HG23 VAL 80 2HG2 VAL 80 5.014 1.255 -2.318 651 H ARG 81 H ARG 81 3.133 3.671 -6.636 652 HA ARG 81 HA ARG 81 2.322 6.266 -5.384 653 HB2 ARG 81 2HB ARG 81 2.386 6.053 -8.390 654 HB3 ARG 81 3HB ARG 81 2.487 7.456 -7.337 655 HG2 ARG 81 2HG ARG 81 4.609 7.303 -8.308 656 HG3 ARG 81 3HG ARG 81 4.830 6.611 -6.702 657 HD2 ARG 81 2HD ARG 81 5.664 4.743 -7.672 658 HD3 ARG 81 3HD ARG 81 4.037 4.444 -8.287 659 HE ARG 81 HE ARG 81 4.731 4.815 -10.352 660 HH11 ARG 81 2HH2 ARG 81 6.909 6.610 -8.257 661 HH12 ARG 81 1HH2 ARG 81 8.024 7.041 -9.510 662 HH21 ARG 81 2HH1 ARG 81 6.143 5.263 -11.985 663 HH22 ARG 81 1HH1 ARG 81 7.542 6.280 -11.771 664 H ARG 82 H ARG 82 0.185 6.910 -5.729 665 HA ARG 82 HA ARG 82 -1.669 4.763 -6.487 666 HB2 ARG 82 2HB ARG 82 -2.072 7.681 -5.740 667 HB3 ARG 82 3HB ARG 82 -3.391 6.513 -5.878 668 HG2 ARG 82 2HG ARG 82 -2.902 5.474 -3.879 669 HG3 ARG 82 3HG ARG 82 -1.163 5.751 -4.009 670 HD2 ARG 82 2HD ARG 82 -1.912 7.099 -2.252 671 HD3 ARG 82 3HD ARG 82 -1.537 8.184 -3.571 672 HE ARG 82 HE ARG 82 -4.165 7.446 -2.473 673 HH11 ARG 82 2HH2 ARG 82 -2.386 9.507 -4.706 674 HH12 ARG 82 1HH2 ARG 82 -3.739 10.483 -5.161 675 HH21 ARG 82 2HH1 ARG 82 -5.965 8.808 -2.941 676 HH22 ARG 82 1HH1 ARG 82 -5.792 10.145 -4.024 677 H LEU 83 H LEU 83 -3.664 5.942 -7.830 678 HA LEU 83 HA LEU 83 -2.505 6.640 -10.441 679 HB2 LEU 83 2HB LEU 83 -5.025 5.422 -9.413 680 HB3 LEU 83 3HB LEU 83 -5.300 6.618 -10.663 681 HG LEU 83 HG LEU 83 -3.281 4.369 -11.018 682 HD11 LEU 83 1HD1 LEU 83 -6.221 4.446 -11.837 683 HD12 LEU 83 2HD1 LEU 83 -5.047 3.175 -12.264 684 HD13 LEU 83 3HD1 LEU 83 -5.516 3.421 -10.570 685 HD21 LEU 83 3HD2 LEU 83 -3.063 6.299 -12.572 686 HD22 LEU 83 1HD2 LEU 83 -3.628 4.852 -13.414 687 HD23 LEU 83 2HD2 LEU 83 -4.779 6.139 -13.005 688 H ASP 84 H ASP 84 -3.315 8.543 -11.517 689 HA ASP 84 HA ASP 84 -3.517 10.912 -9.983 690 HB2 ASP 84 2HB ASP 84 -3.668 10.139 -12.843 691 HB3 ASP 84 3HB ASP 84 -4.648 11.548 -12.432 692 HA PRO 85 HA PRO 85 -8.202 10.990 -10.709 693 HB2 PRO 85 2HB PRO 85 -9.558 8.773 -11.622 694 HB3 PRO 85 3HB PRO 85 -8.854 10.015 -12.706 695 HG2 PRO 85 2HG PRO 85 -7.615 7.377 -11.857 696 HG3 PRO 85 3HG PRO 85 -7.782 8.034 -13.520 697 HD2 PRO 85 2HD PRO 85 -5.480 8.316 -12.155 698 HD3 PRO 85 3HD PRO 85 -6.109 9.675 -13.128 699 H LEU 86 H LEU 86 -9.552 10.690 -8.962 700 HA LEU 86 HA LEU 86 -8.633 9.047 -6.797 701 HB2 LEU 86 2HB LEU 86 -10.966 10.890 -7.288 702 HB3 LEU 86 3HB LEU 86 -11.162 9.667 -6.039 703 HG LEU 86 HG LEU 86 -9.049 10.410 -4.950 704 HD11 LEU 86 1HD1 LEU 86 -8.134 12.640 -5.539 705 HD12 LEU 86 2HD1 LEU 86 -7.919 11.490 -6.866 706 HD13 LEU 86 3HD1 LEU 86 -9.207 12.711 -6.951 707 HD21 LEU 86 3HD2 LEU 86 -11.176 12.560 -5.330 708 HD22 LEU 86 1HD2 LEU 86 -11.264 11.195 -4.197 709 HD23 LEU 86 2HD2 LEU 86 -10.031 12.447 -3.973 710 HA PRO 87 HA PRO 87 -10.536 5.293 -7.805 711 HB2 PRO 87 2HB PRO 87 -10.809 4.068 -5.383 712 HB3 PRO 87 3HB PRO 87 -9.211 4.467 -6.107 713 HG2 PRO 87 2HG PRO 87 -10.769 6.017 -4.021 714 HG3 PRO 87 3HG PRO 87 -9.035 5.535 -3.998 715 HD2 PRO 87 2HD PRO 87 -9.847 8.014 -4.847 716 HD3 PRO 87 3HD PRO 87 -8.451 7.167 -5.585 717 H GLU 88 H GLU 88 -12.562 4.647 -8.385 718 HA GLU 88 HA GLU 88 -14.869 5.993 -7.181 719 HB2 GLU 88 2HB GLU 88 -14.467 4.138 -9.551 720 HB3 GLU 88 3HB GLU 88 -16.070 4.706 -9.022 721 HG2 GLU 88 2HG GLU 88 -15.397 7.036 -9.289 722 HG3 GLU 88 3HG GLU 88 -13.752 6.559 -9.727 723 H ASN 89 H ASN 89 -14.756 5.049 -5.084 724 HA ASN 89 HA ASN 89 -15.404 3.600 -3.440 725 HB2 ASN 89 2HB ASN 89 -17.191 2.359 -5.576 726 HB3 ASN 89 3HB ASN 89 -17.369 2.199 -3.838 727 HD21 ASN 89 1HD2 ASN 89 -18.323 4.025 -6.573 728 HD22 ASN 89 2HD2 ASN 89 -19.066 5.345 -5.674 729 H ILE 90 H ILE 90 -13.007 2.845 -4.666 730 HA ILE 90 HA ILE 90 -13.337 0.041 -5.407 731 HB ILE 90 HB ILE 90 -10.978 1.906 -5.206 732 HG12 ILE 90 2HG1 ILE 90 -12.284 0.466 -7.567 733 HG13 ILE 90 3HG1 ILE 90 -12.696 2.105 -7.067 734 HG21 ILE 90 1HG2 ILE 90 -10.113 -0.329 -4.634 735 HG22 ILE 90 2HG2 ILE 90 -10.934 -1.037 -6.043 736 HG23 ILE 90 3HG2 ILE 90 -9.577 0.111 -6.238 737 HD11 ILE 90 3HD1 ILE 90 -9.986 1.214 -8.078 738 HD12 ILE 90 1HD1 ILE 90 -11.175 2.198 -8.944 739 HD13 ILE 90 2HD1 ILE 90 -10.374 2.840 -7.498 740 H ASP 91 H ASP 91 -13.302 -1.563 -4.138 741 HA ASP 91 HA ASP 91 -11.128 -2.045 -2.460 742 HB2 ASP 91 2HB ASP 91 -12.791 -1.164 -0.743 743 HB3 ASP 91 3HB ASP 91 -13.854 -2.503 -1.169 Start of MODEL 21 1 H1 MET 1 H1 MET 1 -5.809 -19.380 -1.226 2 H2 MET 1 H2 MET 1 -6.752 -20.642 -1.742 3 H3 MET 1 H3 MET 1 -5.097 -20.724 -1.836 4 HA MET 1 HA MET 1 -6.034 -20.316 -3.992 5 HB2 MET 1 2HB MET 1 -7.498 -18.264 -2.418 6 HB3 MET 1 3HB MET 1 -6.836 -17.673 -3.949 7 HG2 MET 1 2HG MET 1 -9.101 -18.619 -4.247 8 HG3 MET 1 3HG MET 1 -7.873 -19.464 -5.189 9 HE1 MET 1 1HE MET 1 -10.974 -19.938 -3.589 10 HE2 MET 1 2HE MET 1 -10.851 -21.191 -2.332 11 HE3 MET 1 3HE MET 1 -10.205 -19.556 -2.036 12 H SER 2 H SER 2 -5.074 -18.534 -5.483 13 HA SER 2 HA SER 2 -2.524 -17.526 -4.363 14 HB2 SER 2 2HB SER 2 -2.145 -17.677 -7.047 15 HB3 SER 2 3HB SER 2 -1.839 -19.024 -5.937 16 HG SER 2 HG SER 2 -3.791 -18.807 -7.863 17 H GLU 3 H GLU 3 -4.377 -16.788 -7.344 18 HA GLU 3 HA GLU 3 -4.015 -13.973 -7.074 19 HB2 GLU 3 2HB GLU 3 -5.709 -13.796 -8.863 20 HB3 GLU 3 3HB GLU 3 -4.414 -14.904 -9.280 21 HG2 GLU 3 2HG GLU 3 -6.866 -16.140 -8.041 22 HG3 GLU 3 3HG GLU 3 -7.066 -15.416 -9.629 23 H GLU 4 H GLU 4 -6.673 -16.065 -5.903 24 HA GLU 4 HA GLU 4 -8.335 -13.796 -5.334 25 HB2 GLU 4 2HB GLU 4 -8.620 -16.570 -5.170 26 HB3 GLU 4 3HB GLU 4 -8.595 -16.088 -3.472 27 HG2 GLU 4 2HG GLU 4 -10.328 -14.224 -4.717 28 HG3 GLU 4 3HG GLU 4 -10.667 -15.748 -5.535 29 H THR 5 H THR 5 -5.983 -15.585 -3.254 30 HA THR 5 HA THR 5 -6.391 -14.037 -0.948 31 HB THR 5 HB THR 5 -3.692 -15.147 -1.757 32 HG1 THR 5 1HG THR 5 -4.343 -17.151 -1.459 33 HG21 THR 5 1HG2 THR 5 -3.599 -15.847 0.594 34 HG22 THR 5 2HG2 THR 5 -3.994 -14.119 0.502 35 HG23 THR 5 3HG2 THR 5 -5.273 -15.301 0.847 36 H SER 6 H SER 6 -3.923 -13.739 -3.539 37 HA SER 6 HA SER 6 -2.644 -11.429 -2.572 38 HB2 SER 6 2HB SER 6 -1.862 -12.951 -4.427 39 HB3 SER 6 3HB SER 6 -3.094 -12.233 -5.479 40 HG SER 6 HG SER 6 -0.854 -10.965 -4.272 41 H THR 7 H THR 7 -5.420 -11.775 -4.742 42 HA THR 7 HA THR 7 -5.885 -9.024 -5.148 43 HB THR 7 HB THR 7 -7.755 -11.355 -5.550 44 HG1 THR 7 1HG THR 7 -6.083 -11.338 -6.973 45 HG21 THR 7 1HG2 THR 7 -9.146 -9.335 -5.328 46 HG22 THR 7 2HG2 THR 7 -8.034 -8.446 -6.408 47 HG23 THR 7 3HG2 THR 7 -9.011 -9.794 -7.033 48 H GLN 8 H GLN 8 -7.038 -11.074 -2.468 49 HA GLN 8 HA GLN 8 -8.831 -9.064 -1.434 50 HB2 GLN 8 2HB GLN 8 -7.109 -11.169 -0.036 51 HB3 GLN 8 3HB GLN 8 -8.160 -10.046 0.788 52 HG2 GLN 8 2HG GLN 8 -10.065 -10.908 -0.747 53 HG3 GLN 8 3HG GLN 8 -8.983 -12.260 -1.108 54 HE21 GLN 8 1HE2 GLN 8 -11.467 -11.266 0.965 55 HE22 GLN 8 2HE2 GLN 8 -11.080 -12.335 2.306 56 H ILE 9 H ILE 9 -5.320 -9.574 -1.250 57 HA ILE 9 HA ILE 9 -5.048 -7.473 0.744 58 HB ILE 9 HB ILE 9 -2.828 -8.631 -0.997 59 HG12 ILE 9 2HG1 ILE 9 -3.578 -9.578 1.804 60 HG13 ILE 9 3HG1 ILE 9 -4.159 -10.406 0.364 61 HG21 ILE 9 1HG2 ILE 9 -1.418 -7.893 0.921 62 HG22 ILE 9 2HG2 ILE 9 -2.341 -6.531 0.289 63 HG23 ILE 9 3HG2 ILE 9 -2.890 -7.351 1.765 64 HD11 ILE 9 3HD1 ILE 9 -1.258 -10.069 1.184 65 HD12 ILE 9 1HD1 ILE 9 -2.214 -11.558 1.104 66 HD13 ILE 9 2HD1 ILE 9 -1.785 -10.707 -0.391 67 H LEU 10 H LEU 10 -4.867 -7.797 -2.751 68 HA LEU 10 HA LEU 10 -3.656 -5.338 -3.430 69 HB2 LEU 10 2HB LEU 10 -4.565 -7.599 -4.724 70 HB3 LEU 10 3HB LEU 10 -5.764 -6.423 -5.250 71 HG LEU 10 HG LEU 10 -3.479 -5.027 -5.712 72 HD11 LEU 10 1HD1 LEU 10 -1.721 -6.583 -6.450 73 HD12 LEU 10 2HD1 LEU 10 -2.088 -6.789 -4.730 74 HD13 LEU 10 3HD1 LEU 10 -2.679 -7.968 -5.916 75 HD21 LEU 10 3HD2 LEU 10 -4.364 -7.329 -7.533 76 HD22 LEU 10 1HD2 LEU 10 -5.283 -5.824 -7.390 77 HD23 LEU 10 2HD2 LEU 10 -3.636 -5.795 -8.033 78 H LYS 11 H LYS 11 -7.071 -6.308 -3.095 79 HA LYS 11 HA LYS 11 -8.105 -3.637 -3.619 80 HB2 LYS 11 2HB LYS 11 -9.262 -6.307 -2.859 81 HB3 LYS 11 3HB LYS 11 -10.123 -4.903 -2.255 82 HG2 LYS 11 2HG LYS 11 -11.151 -5.502 -4.282 83 HG3 LYS 11 3HG LYS 11 -10.311 -3.977 -4.540 84 HD2 LYS 11 2HD LYS 11 -8.560 -5.083 -5.812 85 HD3 LYS 11 3HD LYS 11 -9.209 -6.687 -5.379 86 HE2 LYS 11 2HE LYS 11 -11.283 -6.249 -6.567 87 HE3 LYS 11 3HE LYS 11 -10.824 -4.572 -6.866 88 HZ1 LYS 11 3HZ LYS 11 -9.432 -6.916 -8.011 89 HZ2 LYS 11 1HZ LYS 11 -10.518 -5.985 -8.811 90 HZ3 LYS 11 2HZ LYS 11 -9.095 -5.336 -8.348 91 H GLN 12 H GLN 12 -7.013 -5.378 -0.669 92 HA GLN 12 HA GLN 12 -8.180 -3.347 1.058 93 HB2 GLN 12 2HB GLN 12 -6.457 -5.735 1.446 94 HB3 GLN 12 3HB GLN 12 -6.099 -4.360 2.477 95 HG2 GLN 12 2HG GLN 12 -7.549 -5.423 3.803 96 HG3 GLN 12 3HG GLN 12 -8.609 -4.251 3.034 97 HE21 GLN 12 1HE2 GLN 12 -9.444 -5.392 0.684 98 HE22 GLN 12 2HE2 GLN 12 -10.144 -6.967 1.008 99 H VAL 13 H VAL 13 -5.150 -3.653 -0.745 100 HA VAL 13 HA VAL 13 -3.778 -1.514 0.639 101 HB VAL 13 HB VAL 13 -3.358 -3.160 -1.861 102 HG11 VAL 13 1HG1 VAL 13 -2.567 -1.012 -2.601 103 HG12 VAL 13 2HG1 VAL 13 -1.731 -0.714 -1.054 104 HG13 VAL 13 3HG1 VAL 13 -1.155 -1.978 -2.166 105 HG21 VAL 13 3HG2 VAL 13 -1.340 -3.867 -0.674 106 HG22 VAL 13 1HG2 VAL 13 -1.625 -2.664 0.601 107 HG23 VAL 13 2HG2 VAL 13 -2.733 -4.037 0.406 108 H GLU 14 H GLU 14 -5.460 -1.764 -2.574 109 HA GLU 14 HA GLU 14 -5.279 1.012 -3.044 110 HB2 GLU 14 2HB GLU 14 -6.901 0.737 -4.782 111 HB3 GLU 14 3HB GLU 14 -5.830 -0.665 -4.763 112 HG2 GLU 14 2HG GLU 14 -7.608 -1.903 -4.919 113 HG3 GLU 14 3HG GLU 14 -7.798 -1.594 -3.204 114 H TYR 15 H TYR 15 -7.638 -0.847 -1.110 115 HA TYR 15 HA TYR 15 -9.626 1.038 -0.799 116 HB2 TYR 15 2HB TYR 15 -10.146 -1.086 -0.141 117 HB3 TYR 15 3HB TYR 15 -8.597 -1.327 0.661 118 HD1 TYR 15 HD2 TYR 15 -11.871 0.373 1.026 119 HD2 TYR 15 HD1 TYR 15 -8.163 -0.818 2.887 120 HE1 TYR 15 HE2 TYR 15 -12.689 1.209 3.190 121 HE2 TYR 15 HE1 TYR 15 -8.937 0.032 5.022 122 HH TYR 15 HH TYR 15 -11.777 2.073 5.259 123 H TYR 16 H TYR 16 -6.569 0.652 1.128 124 HA TYR 16 HA TYR 16 -7.257 2.756 2.958 125 HB2 TYR 16 2HB TYR 16 -4.650 1.507 2.161 126 HB3 TYR 16 3HB TYR 16 -4.698 2.952 3.148 127 HD1 TYR 16 HD1 TYR 16 -6.268 2.906 5.245 128 HD2 TYR 16 HD2 TYR 16 -4.772 -0.580 3.224 129 HE1 TYR 16 HE1 TYR 16 -6.371 1.654 7.354 130 HE2 TYR 16 HE2 TYR 16 -4.856 -1.860 5.381 131 HH TYR 16 HH TYR 16 -4.708 -1.283 7.883 132 H PHE 17 H PHE 17 -5.971 2.997 -0.333 133 HA PHE 17 HA PHE 17 -5.672 5.934 0.019 134 HB2 PHE 17 2HB PHE 17 -4.964 4.129 -2.314 135 HB3 PHE 17 3HB PHE 17 -4.633 5.856 -2.210 136 HD1 PHE 17 2HD PHE 17 -2.919 6.755 -0.651 137 HD2 PHE 17 1HD PHE 17 -3.670 2.532 -1.014 138 HE1 PHE 17 2HE PHE 17 -0.853 6.274 0.624 139 HE2 PHE 17 1HE PHE 17 -1.602 2.043 0.266 140 HZ PHE 17 HZ PHE 17 -0.206 3.915 1.104 141 H SER 18 H SER 18 -8.089 3.789 -0.814 142 HA SER 18 HA SER 18 -9.206 5.447 -2.957 143 HB2 SER 18 2HB SER 18 -8.655 3.131 -3.442 144 HB3 SER 18 3HB SER 18 -9.526 2.583 -2.007 145 HG SER 18 HG SER 18 -10.509 2.167 -3.991 146 H ASP 19 H ASP 19 -9.865 4.236 0.236 147 HA ASP 19 HA ASP 19 -12.616 5.098 0.495 148 HB2 ASP 19 2HB ASP 19 -11.466 3.088 1.486 149 HB3 ASP 19 3HB ASP 19 -10.475 4.170 2.468 150 H SER 20 H SER 20 -10.292 7.073 -0.140 151 HA SER 20 HA SER 20 -9.122 8.853 0.674 152 HB2 SER 20 2HB SER 20 -12.018 9.327 1.326 153 HB3 SER 20 3HB SER 20 -10.807 10.541 1.788 154 HG SER 20 HG SER 20 -11.554 10.924 -0.305 155 H ASN 21 H ASN 21 -8.988 6.517 2.535 156 HA ASN 21 HA ASN 21 -9.027 7.885 5.116 157 HB2 ASN 21 2HB ASN 21 -9.502 5.290 4.511 158 HB3 ASN 21 3HB ASN 21 -7.796 5.183 4.992 159 HD21 ASN 21 1HD2 ASN 21 -7.539 4.908 7.315 160 HD22 ASN 21 2HD2 ASN 21 -8.722 5.483 8.427 161 H PHE 22 H PHE 22 -6.580 7.185 2.619 162 HA PHE 22 HA PHE 22 -4.326 7.301 4.222 163 HB2 PHE 22 2HB PHE 22 -3.454 6.895 2.240 164 HB3 PHE 22 3HB PHE 22 -4.931 7.396 1.438 165 HD1 PHE 22 2HD PHE 22 -1.912 9.019 3.044 166 HD2 PHE 22 1HD PHE 22 -4.777 9.026 -0.184 167 HE1 PHE 22 2HE PHE 22 -0.821 11.008 2.062 168 HE2 PHE 22 1HE PHE 22 -3.696 10.996 -1.144 169 HZ PHE 22 HZ PHE 22 -1.688 12.010 -0.038 170 HA PRO 23 HA PRO 23 -3.993 11.916 3.952 171 HB2 PRO 23 2HB PRO 23 -6.169 13.578 3.573 172 HB3 PRO 23 3HB PRO 23 -5.171 12.925 2.234 173 HG2 PRO 23 2HG PRO 23 -7.788 11.831 3.308 174 HG3 PRO 23 3HG PRO 23 -7.327 12.126 1.600 175 HD2 PRO 23 2HD PRO 23 -7.135 9.676 2.736 176 HD3 PRO 23 3HD PRO 23 -5.933 10.238 1.555 177 H ARG 24 H ARG 24 -6.759 10.327 5.341 178 HA ARG 24 HA ARG 24 -7.119 12.144 7.580 179 HB2 ARG 24 2HB ARG 24 -8.760 10.504 6.233 180 HB3 ARG 24 3HB ARG 24 -8.226 9.321 7.430 181 HG2 ARG 24 2HG ARG 24 -9.029 10.807 9.248 182 HG3 ARG 24 3HG ARG 24 -9.403 12.067 8.050 183 HD2 ARG 24 2HD ARG 24 -10.935 10.333 6.922 184 HD3 ARG 24 3HD ARG 24 -10.770 9.376 8.407 185 HE ARG 24 HE ARG 24 -11.458 12.022 9.121 186 HH11 ARG 24 2HH2 ARG 24 -12.901 9.252 7.483 187 HH12 ARG 24 1HH2 ARG 24 -14.540 9.731 7.737 188 HH21 ARG 24 2HH1 ARG 24 -13.647 12.722 9.470 189 HH22 ARG 24 1HH1 ARG 24 -14.968 11.761 8.916 190 H ASP 25 H ASP 25 -5.475 9.087 6.892 191 HA ASP 25 HA ASP 25 -4.859 8.531 9.710 192 HB2 ASP 25 2HB ASP 25 -4.621 7.160 7.060 193 HB3 ASP 25 3HB ASP 25 -3.558 6.616 8.371 194 H LYS 26 H LYS 26 -3.370 10.058 10.322 195 HA LYS 26 HA LYS 26 -1.225 10.991 8.814 196 HB2 LYS 26 2HB LYS 26 -0.088 11.651 10.840 197 HB3 LYS 26 3HB LYS 26 -1.775 12.118 10.849 198 HG2 LYS 26 2HG LYS 26 -0.812 9.596 12.281 199 HG3 LYS 26 3HG LYS 26 -0.696 11.202 13.000 200 HD2 LYS 26 2HD LYS 26 -3.220 11.448 12.483 201 HD3 LYS 26 3HD LYS 26 -3.217 9.674 12.309 202 HE2 LYS 26 2HE LYS 26 -2.429 9.370 14.559 203 HE3 LYS 26 3HE LYS 26 -2.025 11.086 14.721 204 HZ1 LYS 26 3HZ LYS 26 -4.360 11.609 14.611 205 HZ2 LYS 26 1HZ LYS 26 -4.763 10.019 14.458 206 HZ3 LYS 26 2HZ LYS 26 -4.070 10.567 15.847 207 H PHE 27 H PHE 27 -1.483 7.814 10.110 208 HA PHE 27 HA PHE 27 1.264 6.983 10.131 209 HB2 PHE 27 2HB PHE 27 -0.761 5.729 10.982 210 HB3 PHE 27 3HB PHE 27 -1.294 5.501 9.325 211 HD1 PHE 27 2HD PHE 27 1.811 5.052 11.394 212 HD2 PHE 27 1HD PHE 27 -0.767 3.389 8.358 213 HE1 PHE 27 2HE PHE 27 3.182 3.026 11.349 214 HE2 PHE 27 1HE PHE 27 0.602 1.321 8.342 215 HZ PHE 27 HZ PHE 27 2.560 1.107 9.850 216 H LEU 28 H LEU 28 -1.225 6.998 7.534 217 HA LEU 28 HA LEU 28 0.682 6.059 5.520 218 HB2 LEU 28 2HB LEU 28 -2.054 7.371 5.386 219 HB3 LEU 28 3HB LEU 28 -1.106 7.024 3.944 220 HG LEU 28 HG LEU 28 -1.261 4.728 5.811 221 HD11 LEU 28 1HD1 LEU 28 -3.525 4.245 5.745 222 HD12 LEU 28 2HD1 LEU 28 -3.607 5.954 5.790 223 HD13 LEU 28 3HD1 LEU 28 -3.804 5.142 4.234 224 HD21 LEU 28 3HD2 LEU 28 -1.195 3.518 3.786 225 HD22 LEU 28 1HD2 LEU 28 -2.083 4.770 2.902 226 HD23 LEU 28 2HD2 LEU 28 -0.364 4.986 3.340 227 H ARG 29 H ARG 29 -0.897 9.164 6.232 228 HA ARG 29 HA ARG 29 0.375 10.666 4.307 229 HB2 ARG 29 2HB ARG 29 -1.618 11.254 5.747 230 HB3 ARG 29 3HB ARG 29 -0.470 11.772 6.995 231 HG2 ARG 29 2HG ARG 29 0.408 13.511 5.573 232 HG3 ARG 29 3HG ARG 29 -0.454 12.873 4.154 233 HD2 ARG 29 2HD ARG 29 -2.612 13.372 5.147 234 HD3 ARG 29 3HD ARG 29 -1.878 13.858 6.668 235 HE ARG 29 HE ARG 29 -2.108 15.381 4.198 236 HH11 ARG 29 2HH2 ARG 29 -0.347 15.108 7.238 237 HH12 ARG 29 1HH2 ARG 29 0.081 16.779 7.347 238 HH21 ARG 29 2HH1 ARG 29 -1.536 17.637 4.293 239 HH22 ARG 29 1HH1 ARG 29 -0.609 18.246 5.612 240 H SER 30 H SER 30 1.796 9.630 7.382 241 HA SER 30 HA SER 30 3.994 11.504 7.360 242 HB2 SER 30 2HB SER 30 3.580 8.727 8.568 243 HB3 SER 30 3HB SER 30 5.117 9.613 8.704 244 HG SER 30 HG SER 30 2.565 10.401 9.614 245 H GLU 31 H GLU 31 3.597 8.175 5.944 246 HA GLU 31 HA GLU 31 6.321 8.345 4.862 247 HB2 GLU 31 2HB GLU 31 4.025 6.397 4.675 248 HB3 GLU 31 3HB GLU 31 5.206 6.401 3.365 249 HG2 GLU 31 2HG GLU 31 5.937 6.108 6.302 250 HG3 GLU 31 3HG GLU 31 5.775 4.776 5.146 251 H ALA 32 H ALA 32 3.021 8.841 3.647 252 HA ALA 32 HA ALA 32 3.602 9.235 0.946 253 HB1 ALA 32 1HB ALA 32 1.381 10.119 0.852 254 HB2 ALA 32 2HB ALA 32 1.349 9.004 2.208 255 HB3 ALA 32 3HB ALA 32 1.490 10.761 2.496 256 H ALA 33 H ALA 33 3.850 11.473 3.693 257 HA ALA 33 HA ALA 33 4.286 13.885 2.284 258 HB1 ALA 33 1HB ALA 33 5.088 12.985 5.088 259 HB2 ALA 33 2HB ALA 33 5.223 14.654 4.488 260 HB3 ALA 33 3HB ALA 33 3.636 13.888 4.610 261 H LYS 34 H LYS 34 6.378 11.211 1.993 262 HA LYS 34 HA LYS 34 8.813 12.843 1.893 263 HB2 LYS 34 2HB LYS 34 8.024 9.954 1.429 264 HB3 LYS 34 3HB LYS 34 9.451 10.585 0.660 265 HG2 LYS 34 2HG LYS 34 10.080 9.508 2.701 266 HG3 LYS 34 3HG LYS 34 10.421 11.228 2.835 267 HD2 LYS 34 2HD LYS 34 7.787 10.193 3.892 268 HD3 LYS 34 3HD LYS 34 9.230 9.786 4.789 269 HE2 LYS 34 2HE LYS 34 8.444 12.638 4.049 270 HE3 LYS 34 3HE LYS 34 8.023 11.843 5.575 271 HZ1 LYS 34 3HZ LYS 34 10.373 11.544 6.002 272 HZ2 LYS 34 1HZ LYS 34 10.769 12.316 4.605 273 HZ3 LYS 34 2HZ LYS 34 10.017 13.141 5.814 274 H ASN 35 H ASN 35 6.162 11.844 -0.265 275 HA ASN 35 HA ASN 35 6.794 13.984 -2.029 276 HB2 ASN 35 2HB ASN 35 7.545 11.212 -2.984 277 HB3 ASN 35 3HB ASN 35 6.838 12.369 -4.122 278 HD21 ASN 35 1HD2 ASN 35 9.786 11.225 -3.566 279 HD22 ASN 35 2HD2 ASN 35 10.650 12.727 -3.848 280 H VAL 36 H VAL 36 4.656 14.181 -0.920 281 HA VAL 36 HA VAL 36 2.445 14.347 -1.014 282 HB VAL 36 HB VAL 36 2.932 13.574 -3.892 283 HG11 VAL 36 1HG1 VAL 36 0.599 13.022 -3.400 284 HG12 VAL 36 2HG1 VAL 36 0.360 14.605 -2.628 285 HG13 VAL 36 3HG1 VAL 36 0.685 14.478 -4.377 286 HG21 VAL 36 3HG2 VAL 36 3.919 15.711 -3.176 287 HG22 VAL 36 1HG2 VAL 36 2.565 15.973 -4.284 288 HG23 VAL 36 2HG2 VAL 36 2.340 16.232 -2.541 289 H ASP 37 H ASP 37 2.783 11.466 -3.096 290 HA ASP 37 HA ASP 37 2.152 9.546 -1.060 291 HB2 ASP 37 2HB ASP 37 0.186 8.819 -2.324 292 HB3 ASP 37 3HB ASP 37 -0.081 10.340 -1.488 293 H ASN 38 H ASN 38 4.301 10.191 -3.042 294 HA ASN 38 HA ASN 38 4.114 7.930 -4.952 295 HB2 ASN 38 2HB ASN 38 6.061 10.272 -4.777 296 HB3 ASN 38 3HB ASN 38 6.167 8.970 -5.949 297 HD21 ASN 38 1HD2 ASN 38 4.562 11.991 -5.195 298 HD22 ASN 38 2HD2 ASN 38 3.616 12.017 -6.676 299 H TYR 39 H TYR 39 5.458 8.729 -1.895 300 HA TYR 39 HA TYR 39 7.474 6.559 -2.111 301 HB2 TYR 39 2HB TYR 39 7.743 9.348 -1.072 302 HB3 TYR 39 3HB TYR 39 8.351 8.062 -0.038 303 HD1 TYR 39 HD2 TYR 39 8.439 8.726 -3.770 304 HD2 TYR 39 HD1 TYR 39 10.619 7.685 -0.196 305 HE1 TYR 39 HE2 TYR 39 10.534 8.538 -5.095 306 HE2 TYR 39 HE1 TYR 39 12.697 7.490 -1.506 307 HH TYR 39 HH TYR 39 13.651 7.580 -3.646 308 H ILE 40 H ILE 40 6.529 4.907 -1.086 309 HA ILE 40 HA ILE 40 5.235 5.365 1.505 310 HB ILE 40 HB ILE 40 3.878 3.823 -0.734 311 HG12 ILE 40 2HG1 ILE 40 3.068 6.530 0.392 312 HG13 ILE 40 3HG1 ILE 40 3.765 6.265 -1.213 313 HG21 ILE 40 1HG2 ILE 40 3.555 3.086 1.699 314 HG22 ILE 40 2HG2 ILE 40 2.794 4.660 1.991 315 HG23 ILE 40 3HG2 ILE 40 2.080 3.496 0.843 316 HD11 ILE 40 3HD1 ILE 40 1.338 6.535 -1.328 317 HD12 ILE 40 1HD1 ILE 40 1.845 4.949 -1.929 318 HD13 ILE 40 2HD1 ILE 40 1.134 5.105 -0.319 319 H SER 41 H SER 41 6.910 4.182 2.587 320 HA SER 41 HA SER 41 8.164 1.974 1.357 321 HB2 SER 41 2HB SER 41 9.198 3.213 3.226 322 HB3 SER 41 3HB SER 41 7.945 2.576 4.329 323 HG SER 41 HG SER 41 9.815 1.199 4.332 324 H ILE 42 H ILE 42 7.897 -0.187 1.511 325 HA ILE 42 HA ILE 42 5.295 -1.215 2.163 326 HB ILE 42 HB ILE 42 5.994 -3.284 1.498 327 HG12 ILE 42 2HG1 ILE 42 7.871 -3.789 2.888 328 HG13 ILE 42 3HG1 ILE 42 8.300 -4.069 1.212 329 HG21 ILE 42 1HG2 ILE 42 6.946 -2.899 -0.642 330 HG22 ILE 42 2HG2 ILE 42 6.094 -1.391 -0.196 331 HG23 ILE 42 3HG2 ILE 42 7.836 -1.482 -0.081 332 HD11 ILE 42 3HD1 ILE 42 10.145 -3.048 2.472 333 HD12 ILE 42 1HD1 ILE 42 9.619 -1.975 1.169 334 HD13 ILE 42 2HD1 ILE 42 9.152 -1.638 2.854 335 H ASP 43 H ASP 43 7.820 -0.244 4.239 336 HA ASP 43 HA ASP 43 7.376 -2.125 6.364 337 HB2 ASP 43 2HB ASP 43 8.148 0.828 6.407 338 HB3 ASP 43 3HB ASP 43 8.152 -0.231 7.825 339 H VAL 44 H VAL 44 5.670 0.908 5.360 340 HA VAL 44 HA VAL 44 3.943 0.968 7.674 341 HB VAL 44 HB VAL 44 4.429 2.490 5.166 342 HG11 VAL 44 1HG1 VAL 44 2.160 1.983 4.619 343 HG12 VAL 44 2HG1 VAL 44 1.607 2.408 6.264 344 HG13 VAL 44 3HG1 VAL 44 2.265 3.653 5.177 345 HG21 VAL 44 3HG2 VAL 44 3.440 3.282 7.930 346 HG22 VAL 44 1HG2 VAL 44 5.138 3.239 7.401 347 HG23 VAL 44 2HG2 VAL 44 3.996 4.384 6.667 348 H ILE 45 H ILE 45 3.829 -0.275 4.377 349 HA ILE 45 HA ILE 45 1.027 -0.946 4.479 350 HB ILE 45 HB ILE 45 3.110 -2.036 2.610 351 HG12 ILE 45 2HG1 ILE 45 1.610 0.608 2.172 352 HG13 ILE 45 3HG1 ILE 45 3.251 0.549 2.772 353 HG21 ILE 45 1HG2 ILE 45 1.274 -2.153 0.973 354 HG22 ILE 45 2HG2 ILE 45 0.739 -2.922 2.469 355 HG23 ILE 45 3HG2 ILE 45 0.186 -1.292 2.080 356 HD11 ILE 45 3HD1 ILE 45 2.289 -0.066 0.033 357 HD12 ILE 45 1HD1 ILE 45 3.687 0.872 0.569 358 HD13 ILE 45 2HD1 ILE 45 3.755 -0.888 0.631 359 H ALA 46 H ALA 46 4.030 -2.702 5.074 360 HA ALA 46 HA ALA 46 2.742 -5.277 5.415 361 HB1 ALA 46 1HB ALA 46 5.431 -4.213 6.440 362 HB2 ALA 46 2HB ALA 46 4.904 -5.911 6.477 363 HB3 ALA 46 3HB ALA 46 5.177 -5.098 4.922 364 H SER 47 H SER 47 3.642 -2.486 7.417 365 HA SER 47 HA SER 47 2.724 -3.832 9.874 366 HB2 SER 47 2HB SER 47 4.815 -2.370 9.632 367 HB3 SER 47 3HB SER 47 3.707 -0.979 9.611 368 HG SER 47 HG SER 47 4.428 -1.452 11.707 369 H PHE 48 H PHE 48 0.926 -2.770 7.459 370 HA PHE 48 HA PHE 48 -0.664 -0.747 8.577 371 HB2 PHE 48 2HB PHE 48 -0.510 -2.226 6.192 372 HB3 PHE 48 3HB PHE 48 -2.131 -2.553 6.746 373 HD1 PHE 48 1HD PHE 48 -2.501 0.315 8.056 374 HD2 PHE 48 2HD PHE 48 -1.164 -1.182 4.225 375 HE1 PHE 48 1HE PHE 48 -3.272 2.381 6.974 376 HE2 PHE 48 2HE PHE 48 -1.937 0.914 3.143 377 HZ PHE 48 HZ PHE 48 -3.018 2.647 4.499 378 H ASN 49 H ASN 49 -0.375 -3.422 10.203 379 HA ASN 49 HA ASN 49 -1.436 -4.950 11.339 380 HB2 ASN 49 2HB ASN 49 -2.419 -2.786 12.332 381 HB3 ASN 49 3HB ASN 49 -3.911 -3.190 11.469 382 HD21 ASN 49 1HD2 ASN 49 -4.390 -3.119 14.056 383 HD22 ASN 49 2HD2 ASN 49 -4.278 -4.705 14.803 384 H ARG 50 H ARG 50 -4.260 -3.751 9.489 385 HA ARG 50 HA ARG 50 -5.401 -6.245 9.000 386 HB2 ARG 50 2HB ARG 50 -6.083 -3.632 8.443 387 HB3 ARG 50 3HB ARG 50 -5.694 -4.215 6.820 388 HG2 ARG 50 2HG ARG 50 -7.233 -6.210 7.315 389 HG3 ARG 50 3HG ARG 50 -7.706 -5.351 8.797 390 HD2 ARG 50 2HD ARG 50 -8.274 -3.350 7.334 391 HD3 ARG 50 3HD ARG 50 -8.058 -4.390 5.922 392 HE ARG 50 HE ARG 50 -10.299 -4.257 7.710 393 HH11 ARG 50 2HH2 ARG 50 -8.547 -6.495 5.603 394 HH12 ARG 50 1HH2 ARG 50 -9.864 -7.517 5.279 395 HH21 ARG 50 2HH1 ARG 50 -12.070 -5.738 7.488 396 HH22 ARG 50 1HH1 ARG 50 -11.892 -7.171 6.539 397 H MET 51 H MET 51 -2.801 -4.702 7.166 398 HA MET 51 HA MET 51 -2.979 -6.699 5.025 399 HB2 MET 51 2HB MET 51 -1.524 -4.216 5.423 400 HB3 MET 51 3HB MET 51 -0.391 -5.509 5.005 401 HG2 MET 51 2HG MET 51 -1.345 -4.287 3.039 402 HG3 MET 51 3HG MET 51 -1.565 -6.045 3.023 403 HE1 MET 51 3HE MET 51 -3.194 -2.692 2.393 404 HE2 MET 51 1HE MET 51 -4.735 -2.770 3.268 405 HE3 MET 51 2HE MET 51 -3.194 -2.717 4.168 406 H LYS 52 H LYS 52 -0.991 -6.232 7.994 407 HA LYS 52 HA LYS 52 0.755 -8.392 7.430 408 HB2 LYS 52 2HB LYS 52 0.578 -6.402 9.353 409 HB3 LYS 52 3HB LYS 52 -0.021 -7.748 10.288 410 HG2 LYS 52 2HG LYS 52 2.633 -7.738 8.758 411 HG3 LYS 52 3HG LYS 52 2.454 -7.338 10.473 412 HD2 LYS 52 2HD LYS 52 1.463 -9.611 10.853 413 HD3 LYS 52 3HD LYS 52 1.837 -10.005 9.157 414 HE2 LYS 52 2HE LYS 52 4.220 -9.581 9.539 415 HE3 LYS 52 3HE LYS 52 3.895 -9.124 11.218 416 HZ1 LYS 52 3HZ LYS 52 3.389 -11.795 10.050 417 HZ2 LYS 52 1HZ LYS 52 4.653 -11.405 11.030 418 HZ3 LYS 52 2HZ LYS 52 3.118 -11.366 11.618 419 H THR 53 H THR 53 -2.503 -8.209 8.939 420 HA THR 53 HA THR 53 -2.438 -10.974 9.772 421 HB THR 53 HB THR 53 -4.871 -10.466 10.255 422 HG1 THR 53 1HG THR 53 -5.482 -8.322 10.024 423 HG21 THR 53 1HG2 THR 53 -4.334 -8.852 12.053 424 HG22 THR 53 2HG2 THR 53 -3.037 -10.057 11.893 425 HG23 THR 53 3HG2 THR 53 -2.820 -8.424 11.235 426 H ILE 54 H ILE 54 -4.205 -9.170 7.176 427 HA ILE 54 HA ILE 54 -5.383 -11.561 6.149 428 HB ILE 54 HB ILE 54 -4.874 -8.894 4.795 429 HG12 ILE 54 2HG1 ILE 54 -6.363 -8.944 6.880 430 HG13 ILE 54 3HG1 ILE 54 -6.983 -8.183 5.413 431 HG21 ILE 54 1HG2 ILE 54 -6.626 -11.188 3.855 432 HG22 ILE 54 2HG2 ILE 54 -6.689 -9.525 3.210 433 HG23 ILE 54 3HG2 ILE 54 -5.232 -10.505 3.027 434 HD11 ILE 54 3HD1 ILE 54 -7.582 -11.046 6.202 435 HD12 ILE 54 1HD1 ILE 54 -8.618 -9.658 6.614 436 HD13 ILE 54 2HD1 ILE 54 -8.352 -10.085 4.913 437 H SER 55 H SER 55 -2.226 -10.101 5.533 438 HA SER 55 HA SER 55 -1.715 -11.948 3.291 439 HB2 SER 55 2HB SER 55 0.354 -10.881 3.041 440 HB3 SER 55 3HB SER 55 -0.679 -9.543 3.592 441 HG SER 55 HG SER 55 1.525 -10.051 4.565 442 H THR 56 H THR 56 -0.882 -11.570 6.674 443 HA THR 56 HA THR 56 0.178 -12.825 8.161 444 HB THR 56 HB THR 56 -0.756 -15.006 6.297 445 HG1 THR 56 1HG THR 56 -2.184 -13.737 7.629 446 HG21 THR 56 1HG2 THR 56 1.169 -16.025 7.421 447 HG22 THR 56 2HG2 THR 56 0.651 -15.348 8.987 448 HG23 THR 56 3HG2 THR 56 -0.323 -16.600 8.184 449 H ASP 57 H ASP 57 1.525 -12.321 5.025 450 HA ASP 57 HA ASP 57 4.181 -13.066 5.965 451 HB2 ASP 57 2HB ASP 57 3.053 -15.024 4.749 452 HB3 ASP 57 3HB ASP 57 3.038 -14.004 3.304 453 H LEU 58 H LEU 58 5.684 -11.875 4.942 454 HA LEU 58 HA LEU 58 4.925 -9.285 3.772 455 HB2 LEU 58 2HB LEU 58 7.641 -10.570 4.287 456 HB3 LEU 58 3HB LEU 58 7.419 -8.956 3.622 457 HG LEU 58 HG LEU 58 5.826 -9.174 6.040 458 HD11 LEU 58 1HD1 LEU 58 7.422 -10.951 6.692 459 HD12 LEU 58 2HD1 LEU 58 8.780 -9.848 6.375 460 HD13 LEU 58 3HD1 LEU 58 7.631 -9.492 7.682 461 HD21 LEU 58 3HD2 LEU 58 6.675 -7.084 5.008 462 HD22 LEU 58 1HD2 LEU 58 7.159 -7.231 6.710 463 HD23 LEU 58 2HD2 LEU 58 8.336 -7.560 5.420 464 H GLN 59 H GLN 59 5.719 -12.432 2.655 465 HA GLN 59 HA GLN 59 6.788 -11.785 0.086 466 HB2 GLN 59 2HB GLN 59 7.004 -13.971 1.188 467 HB3 GLN 59 3HB GLN 59 5.256 -14.223 1.088 468 HG2 GLN 59 2HG GLN 59 5.333 -14.253 -1.356 469 HG3 GLN 59 3HG GLN 59 7.030 -13.759 -1.357 470 HE21 GLN 59 1HE2 GLN 59 8.595 -15.342 -0.169 471 HE22 GLN 59 2HE2 GLN 59 8.216 -17.042 -0.414 472 H LEU 60 H LEU 60 3.454 -12.785 1.129 473 HA LEU 60 HA LEU 60 2.262 -12.180 -1.402 474 HB2 LEU 60 2HB LEU 60 1.387 -12.938 1.365 475 HB3 LEU 60 3HB LEU 60 0.263 -11.927 0.490 476 HG LEU 60 HG LEU 60 0.303 -13.497 -1.440 477 HD11 LEU 60 1HD1 LEU 60 1.985 -15.221 0.440 478 HD12 LEU 60 2HD1 LEU 60 1.276 -15.762 -1.096 479 HD13 LEU 60 3HD1 LEU 60 2.526 -14.514 -1.100 480 HD21 LEU 60 3HD2 LEU 60 -0.410 -14.726 1.259 481 HD22 LEU 60 1HD2 LEU 60 -1.448 -13.677 0.270 482 HD23 LEU 60 2HD2 LEU 60 -1.002 -15.286 -0.322 483 H ILE 61 H ILE 61 3.041 -10.160 1.405 484 HA ILE 61 HA ILE 61 1.325 -8.018 0.480 485 HB ILE 61 HB ILE 61 2.723 -8.543 2.820 486 HG12 ILE 61 2HG1 ILE 61 0.556 -7.457 2.572 487 HG13 ILE 61 3HG1 ILE 61 1.612 -6.561 3.660 488 HG21 ILE 61 1HG2 ILE 61 3.972 -6.017 1.657 489 HG22 ILE 61 2HG2 ILE 61 4.031 -6.542 3.347 490 HG23 ILE 61 3HG2 ILE 61 4.816 -7.505 2.099 491 HD11 ILE 61 3HD1 ILE 61 2.082 -4.892 1.922 492 HD12 ILE 61 1HD1 ILE 61 1.151 -5.826 0.725 493 HD13 ILE 61 2HD1 ILE 61 0.341 -5.098 2.094 494 H THR 62 H THR 62 4.666 -8.989 -0.089 495 HA THR 62 HA THR 62 5.367 -6.481 -1.426 496 HB THR 62 HB THR 62 6.768 -9.184 -1.335 497 HG1 THR 62 1HG THR 62 6.753 -8.103 0.607 498 HG21 THR 62 1HG2 THR 62 7.497 -7.977 -3.365 499 HG22 THR 62 2HG2 THR 62 7.728 -6.490 -2.412 500 HG23 THR 62 3HG2 THR 62 8.761 -7.906 -2.125 501 H GLU 63 H GLU 63 4.246 -9.749 -2.440 502 HA GLU 63 HA GLU 63 4.496 -9.086 -5.235 503 HB2 GLU 63 2HB GLU 63 4.417 -11.438 -4.460 504 HB3 GLU 63 3HB GLU 63 2.716 -11.222 -3.977 505 HG2 GLU 63 2HG GLU 63 2.062 -10.680 -6.267 506 HG3 GLU 63 3HG GLU 63 3.748 -10.607 -6.789 507 H ALA 64 H ALA 64 1.908 -8.731 -2.809 508 HA ALA 64 HA ALA 64 -0.181 -8.035 -4.614 509 HB1 ALA 64 1HB ALA 64 -1.137 -6.717 -2.734 510 HB2 ALA 64 2HB ALA 64 -0.606 -8.337 -2.219 511 HB3 ALA 64 3HB ALA 64 0.385 -6.906 -1.841 512 H LEU 65 H LEU 65 2.373 -5.985 -3.092 513 HA LEU 65 HA LEU 65 1.541 -3.561 -4.377 514 HB2 LEU 65 2HB LEU 65 4.180 -4.540 -3.221 515 HB3 LEU 65 3HB LEU 65 3.970 -2.913 -3.864 516 HG LEU 65 HG LEU 65 2.065 -3.982 -1.754 517 HD11 LEU 65 1HD1 LEU 65 4.653 -2.477 -1.300 518 HD12 LEU 65 2HD1 LEU 65 3.495 -3.003 -0.045 519 HD13 LEU 65 3HD1 LEU 65 4.426 -4.207 -0.943 520 HD21 LEU 65 3HD2 LEU 65 1.549 -1.846 -3.063 521 HD22 LEU 65 1HD2 LEU 65 1.685 -1.638 -1.323 522 HD23 LEU 65 2HD2 LEU 65 3.034 -1.147 -2.377 523 H LYS 66 H LYS 66 3.799 -6.154 -5.311 524 HA LYS 66 HA LYS 66 4.771 -4.782 -7.659 525 HB2 LYS 66 2HB LYS 66 5.754 -6.833 -6.322 526 HB3 LYS 66 3HB LYS 66 4.799 -7.781 -7.483 527 HG2 LYS 66 2HG LYS 66 5.951 -6.604 -9.353 528 HG3 LYS 66 3HG LYS 66 6.797 -5.572 -8.187 529 HD2 LYS 66 2HD LYS 66 7.879 -7.619 -7.218 530 HD3 LYS 66 3HD LYS 66 7.151 -8.572 -8.536 531 HE2 LYS 66 2HE LYS 66 8.276 -7.120 -10.204 532 HE3 LYS 66 3HE LYS 66 8.948 -6.125 -8.905 533 HZ1 LYS 66 3HZ LYS 66 10.554 -7.691 -9.719 534 HZ2 LYS 66 1HZ LYS 66 10.196 -8.035 -8.154 535 HZ3 LYS 66 2HZ LYS 66 9.579 -8.970 -9.366 536 H LYS 67 H LYS 67 1.883 -6.604 -7.074 537 HA LYS 67 HA LYS 67 1.292 -6.607 -9.987 538 HB2 LYS 67 2HB LYS 67 1.549 -8.747 -8.594 539 HB3 LYS 67 3HB LYS 67 0.050 -8.308 -7.777 540 HG2 LYS 67 2HG LYS 67 -1.213 -8.516 -9.803 541 HG3 LYS 67 3HG LYS 67 0.249 -8.494 -10.809 542 HD2 LYS 67 2HD LYS 67 -0.283 -10.684 -8.765 543 HD3 LYS 67 3HD LYS 67 -0.881 -10.779 -10.435 544 HE2 LYS 67 2HE LYS 67 1.399 -10.573 -11.317 545 HE3 LYS 67 3HE LYS 67 2.047 -10.377 -9.680 546 HZ1 LYS 67 3HZ LYS 67 0.707 -12.813 -10.669 547 HZ2 LYS 67 1HZ LYS 67 2.329 -12.618 -10.389 548 HZ3 LYS 67 2HZ LYS 67 1.304 -12.576 -9.150 549 H SER 68 H SER 68 1.000 -4.188 -8.329 550 HA SER 68 HA SER 68 -1.501 -4.057 -7.092 551 HB2 SER 68 2HB SER 68 -1.054 -1.477 -7.488 552 HB3 SER 68 3HB SER 68 -0.105 -2.409 -6.346 553 HG SER 68 HG SER 68 1.593 -2.330 -7.610 554 H THR 69 H THR 69 -3.276 -2.657 -7.579 555 HA THR 69 HA THR 69 -4.159 -2.848 -10.417 556 HB THR 69 HB THR 69 -5.635 -4.163 -9.200 557 HG1 THR 69 1HG THR 69 -7.015 -2.798 -10.166 558 HG21 THR 69 1HG2 THR 69 -6.611 -3.771 -7.057 559 HG22 THR 69 2HG2 THR 69 -4.879 -3.564 -6.829 560 HG23 THR 69 3HG2 THR 69 -5.955 -2.152 -6.932 561 H ARG 70 H ARG 70 -4.763 -0.787 -7.525 562 HA ARG 70 HA ARG 70 -5.299 1.419 -9.384 563 HB2 ARG 70 2HB ARG 70 -6.536 0.434 -7.073 564 HB3 ARG 70 3HB ARG 70 -5.697 1.852 -6.467 565 HG2 ARG 70 2HG ARG 70 -7.179 3.247 -7.428 566 HG3 ARG 70 3HG ARG 70 -7.048 2.472 -9.003 567 HD2 ARG 70 2HD ARG 70 -8.728 1.534 -6.669 568 HD3 ARG 70 3HD ARG 70 -9.341 2.302 -8.143 569 HE ARG 70 HE ARG 70 -8.057 0.112 -9.164 570 HH11 ARG 70 2HH2 ARG 70 -10.289 0.405 -6.464 571 HH12 ARG 70 1HH2 ARG 70 -10.884 -1.141 -6.595 572 HH21 ARG 70 2HH1 ARG 70 -9.024 -1.912 -9.553 573 HH22 ARG 70 1HH1 ARG 70 -10.466 -2.366 -8.704 574 H LEU 71 H LEU 71 -2.577 0.365 -7.647 575 HA LEU 71 HA LEU 71 -1.494 3.079 -7.589 576 HB2 LEU 71 2HB LEU 71 -0.457 1.053 -5.651 577 HB3 LEU 71 3HB LEU 71 -0.547 2.794 -5.540 578 HG LEU 71 HG LEU 71 -2.916 0.941 -5.109 579 HD11 LEU 71 1HD1 LEU 71 -1.146 2.378 -3.085 580 HD12 LEU 71 2HD1 LEU 71 -2.558 1.360 -2.735 581 HD13 LEU 71 3HD1 LEU 71 -1.097 0.640 -3.438 582 HD21 LEU 71 3HD2 LEU 71 -4.028 2.851 -4.132 583 HD22 LEU 71 1HD2 LEU 71 -2.570 3.850 -4.275 584 HD23 LEU 71 2HD2 LEU 71 -3.469 3.370 -5.724 585 H GLN 72 H GLN 72 1.123 2.519 -7.503 586 HA GLN 72 HA GLN 72 1.689 0.195 -9.238 587 HB2 GLN 72 2HB GLN 72 0.914 2.393 -10.481 588 HB3 GLN 72 3HB GLN 72 2.519 2.993 -10.103 589 HG2 GLN 72 2HG GLN 72 1.962 0.358 -11.549 590 HG3 GLN 72 3HG GLN 72 2.132 1.902 -12.388 591 HE21 GLN 72 1HE2 GLN 72 3.847 -0.257 -12.995 592 HE22 GLN 72 2HE2 GLN 72 5.448 0.170 -12.401 593 H VAL 73 H VAL 73 3.584 -0.693 -8.429 594 HA VAL 73 HA VAL 73 5.112 0.920 -6.495 595 HB VAL 73 HB VAL 73 4.109 -1.325 -5.885 596 HG11 VAL 73 1HG1 VAL 73 6.498 -2.382 -7.462 597 HG12 VAL 73 2HG1 VAL 73 5.444 -3.296 -6.390 598 HG13 VAL 73 3HG1 VAL 73 4.788 -2.592 -7.901 599 HG21 VAL 73 3HG2 VAL 73 5.749 -0.329 -4.420 600 HG22 VAL 73 1HG2 VAL 73 6.106 -2.042 -4.572 601 HG23 VAL 73 2HG2 VAL 73 7.082 -0.860 -5.466 602 H SER 74 H SER 74 7.232 1.323 -6.673 603 HA SER 74 HA SER 74 8.552 1.193 -9.229 604 HB2 SER 74 2HB SER 74 9.007 2.923 -7.454 605 HB3 SER 74 3HB SER 74 9.764 1.630 -6.486 606 HG SER 74 HG SER 74 11.209 2.907 -7.845 607 H GLU 75 H GLU 75 10.614 0.144 -9.544 608 HA GLU 75 HA GLU 75 10.225 -2.682 -9.255 609 HB2 GLU 75 2HB GLU 75 11.450 -1.147 -11.082 610 HB3 GLU 75 3HB GLU 75 12.879 -1.548 -10.113 611 HG2 GLU 75 2HG GLU 75 12.303 -3.977 -10.348 612 HG3 GLU 75 3HG GLU 75 10.876 -3.537 -11.295 613 H ASP 76 H ASP 76 11.590 -0.335 -7.113 614 HA ASP 76 HA ASP 76 13.546 -2.158 -5.903 615 HB2 ASP 76 2HB ASP 76 13.503 0.499 -6.033 616 HB3 ASP 76 3HB ASP 76 12.461 0.354 -4.618 617 H GLY 77 H GLY 77 10.111 -1.559 -5.806 618 HA2 GLY 77 2HA GLY 77 8.445 -2.349 -4.397 619 HA3 GLY 77 3HA GLY 77 9.587 -3.622 -3.939 620 H LYS 78 H LYS 78 10.237 -0.212 -3.462 621 HA LYS 78 HA LYS 78 9.533 -0.352 -0.557 622 HB2 LYS 78 2HB LYS 78 11.997 0.786 -1.876 623 HB3 LYS 78 3HB LYS 78 11.509 1.236 -0.237 624 HG2 LYS 78 2HG LYS 78 11.977 -0.824 0.681 625 HG3 LYS 78 3HG LYS 78 11.557 -1.698 -0.790 626 HD2 LYS 78 2HD LYS 78 13.665 -0.613 -1.825 627 HD3 LYS 78 3HD LYS 78 14.167 -0.333 -0.144 628 HE2 LYS 78 2HE LYS 78 13.991 -2.730 0.323 629 HE3 LYS 78 3HE LYS 78 13.182 -3.007 -1.237 630 HZ1 LYS 78 3HZ LYS 78 15.960 -2.072 -0.982 631 HZ2 LYS 78 1HZ LYS 78 15.492 -3.618 -1.362 632 HZ3 LYS 78 2HZ LYS 78 15.148 -2.371 -2.371 633 H MET 79 H MET 79 8.566 0.973 -3.448 634 HA MET 79 HA MET 79 7.175 2.956 -1.882 635 HB2 MET 79 2HB MET 79 7.804 4.878 -3.361 636 HB3 MET 79 3HB MET 79 9.226 4.249 -2.524 637 HG2 MET 79 2HG MET 79 9.334 2.743 -4.774 638 HG3 MET 79 3HG MET 79 8.449 4.121 -5.417 639 HE1 MET 79 3HE MET 79 12.808 3.977 -3.896 640 HE2 MET 79 1HE MET 79 11.431 3.581 -2.843 641 HE3 MET 79 2HE MET 79 11.777 2.583 -4.274 642 H VAL 80 H VAL 80 5.214 3.561 -2.796 643 HA VAL 80 HA VAL 80 4.583 2.519 -5.455 644 HB VAL 80 HB VAL 80 3.887 0.741 -3.947 645 HG11 VAL 80 1HG1 VAL 80 2.436 2.858 -2.336 646 HG12 VAL 80 2HG1 VAL 80 2.237 1.118 -2.127 647 HG13 VAL 80 3HG1 VAL 80 3.811 1.849 -1.805 648 HG21 VAL 80 3HG2 VAL 80 1.484 0.646 -4.289 649 HG22 VAL 80 1HG2 VAL 80 1.452 2.377 -4.681 650 HG23 VAL 80 2HG2 VAL 80 2.305 1.219 -5.737 651 H ARG 81 H ARG 81 2.835 3.696 -6.427 652 HA ARG 81 HA ARG 81 2.168 6.202 -4.971 653 HB2 ARG 81 2HB ARG 81 2.376 6.541 -7.908 654 HB3 ARG 81 3HB ARG 81 2.701 7.641 -6.601 655 HG2 ARG 81 2HG ARG 81 4.846 7.302 -7.524 656 HG3 ARG 81 3HG ARG 81 4.849 6.158 -6.188 657 HD2 ARG 81 2HD ARG 81 5.496 4.660 -7.764 658 HD3 ARG 81 3HD ARG 81 3.788 4.600 -8.192 659 HE ARG 81 HE ARG 81 5.978 5.962 -9.597 660 HH11 ARG 81 2HH2 ARG 81 2.501 5.284 -9.515 661 HH12 ARG 81 1HH2 ARG 81 2.190 5.859 -11.110 662 HH21 ARG 81 2HH1 ARG 81 5.595 6.680 -11.748 663 HH22 ARG 81 1HH1 ARG 81 4.009 6.629 -12.425 664 H ARG 82 H ARG 82 0.122 6.961 -5.348 665 HA ARG 82 HA ARG 82 -1.765 4.926 -6.359 666 HB2 ARG 82 2HB ARG 82 -3.474 6.327 -5.301 667 HB3 ARG 82 3HB ARG 82 -2.130 6.066 -4.191 668 HG2 ARG 82 2HG ARG 82 -1.198 8.294 -4.761 669 HG3 ARG 82 3HG ARG 82 -2.567 8.602 -5.829 670 HD2 ARG 82 2HD ARG 82 -3.431 7.675 -3.174 671 HD3 ARG 82 3HD ARG 82 -2.388 9.060 -3.048 672 HE ARG 82 HE ARG 82 -3.809 10.369 -4.359 673 HH11 ARG 82 2HH2 ARG 82 -5.167 7.171 -3.740 674 HH12 ARG 82 1HH2 ARG 82 -6.806 7.629 -3.832 675 HH21 ARG 82 2HH1 ARG 82 -6.008 10.905 -5.057 676 HH22 ARG 82 1HH1 ARG 82 -7.278 9.760 -4.857 677 H LEU 83 H LEU 83 -3.822 6.757 -7.219 678 HA LEU 83 HA LEU 83 -2.704 7.836 -9.725 679 HB2 LEU 83 2HB LEU 83 -5.419 6.662 -9.008 680 HB3 LEU 83 3HB LEU 83 -5.144 7.573 -10.489 681 HG LEU 83 HG LEU 83 -3.349 5.211 -9.862 682 HD11 LEU 83 1HD1 LEU 83 -4.908 3.738 -11.014 683 HD12 LEU 83 2HD1 LEU 83 -5.659 4.411 -9.562 684 HD13 LEU 83 3HD1 LEU 83 -6.099 5.073 -11.151 685 HD21 LEU 83 3HD2 LEU 83 -3.256 5.063 -12.314 686 HD22 LEU 83 1HD2 LEU 83 -4.425 6.388 -12.466 687 HD23 LEU 83 2HD2 LEU 83 -2.809 6.696 -11.788 688 H ASP 84 H ASP 84 -3.321 9.960 -10.177 689 HA ASP 84 HA ASP 84 -4.000 11.759 -8.104 690 HB2 ASP 84 2HB ASP 84 -3.616 11.850 -11.046 691 HB3 ASP 84 3HB ASP 84 -4.785 13.028 -10.446 692 HA PRO 85 HA PRO 85 -8.461 11.913 -9.669 693 HB2 PRO 85 2HB PRO 85 -9.462 10.090 -11.467 694 HB3 PRO 85 3HB PRO 85 -8.614 11.591 -11.964 695 HG2 PRO 85 2HG PRO 85 -7.437 8.808 -11.663 696 HG3 PRO 85 3HG PRO 85 -7.296 9.919 -13.067 697 HD2 PRO 85 2HD PRO 85 -5.349 9.772 -11.214 698 HD3 PRO 85 3HD PRO 85 -5.826 11.359 -11.887 699 H LEU 86 H LEU 86 -10.402 10.813 -8.890 700 HA LEU 86 HA LEU 86 -9.737 8.983 -6.792 701 HB2 LEU 86 2HB LEU 86 -12.349 10.114 -7.857 702 HB3 LEU 86 3HB LEU 86 -12.365 8.772 -6.731 703 HG LEU 86 HG LEU 86 -10.694 10.267 -5.309 704 HD11 LEU 86 1HD1 LEU 86 -11.265 12.666 -5.460 705 HD12 LEU 86 2HD1 LEU 86 -10.508 12.108 -6.956 706 HD13 LEU 86 3HD1 LEU 86 -12.272 12.350 -6.887 707 HD21 LEU 86 3HD2 LEU 86 -12.864 9.473 -4.536 708 HD22 LEU 86 1HD2 LEU 86 -12.647 11.172 -4.096 709 HD23 LEU 86 2HD2 LEU 86 -13.696 10.738 -5.468 710 HA PRO 87 HA PRO 87 -9.946 5.155 -8.784 711 HB2 PRO 87 2HB PRO 87 -10.721 3.474 -6.751 712 HB3 PRO 87 3HB PRO 87 -9.150 4.346 -6.746 713 HG2 PRO 87 2HG PRO 87 -11.718 5.148 -5.342 714 HG3 PRO 87 3HG PRO 87 -10.053 5.078 -4.708 715 HD2 PRO 87 2HD PRO 87 -11.112 7.396 -5.565 716 HD3 PRO 87 3HD PRO 87 -9.383 6.999 -5.812 717 H GLU 88 H GLU 88 -11.455 4.560 -10.309 718 HA GLU 88 HA GLU 88 -14.039 3.569 -9.284 719 HB2 GLU 88 2HB GLU 88 -14.426 5.876 -10.070 720 HB3 GLU 88 3HB GLU 88 -13.767 5.460 -11.660 721 HG2 GLU 88 2HG GLU 88 -15.560 3.801 -11.998 722 HG3 GLU 88 3HG GLU 88 -16.143 4.058 -10.349 723 H ASN 89 H ASN 89 -13.511 1.453 -9.631 724 HA ASN 89 HA ASN 89 -12.871 -0.478 -10.650 725 HB2 ASN 89 2HB ASN 89 -14.191 0.868 -13.031 726 HB3 ASN 89 3HB ASN 89 -13.932 -0.864 -12.834 727 HD21 ASN 89 1HD2 ASN 89 -16.364 1.386 -12.617 728 HD22 ASN 89 2HD2 ASN 89 -17.325 0.590 -11.382 729 H ILE 90 H ILE 90 -10.645 1.194 -10.605 730 HA ILE 90 HA ILE 90 -9.591 1.151 -13.341 731 HB ILE 90 HB ILE 90 -8.445 1.980 -10.655 732 HG12 ILE 90 2HG1 ILE 90 -10.271 3.437 -11.518 733 HG13 ILE 90 3HG1 ILE 90 -8.741 4.254 -11.251 734 HG21 ILE 90 1HG2 ILE 90 -6.694 3.167 -12.199 735 HG22 ILE 90 2HG2 ILE 90 -6.510 1.429 -11.915 736 HG23 ILE 90 3HG2 ILE 90 -7.218 2.021 -13.432 737 HD11 ILE 90 3HD1 ILE 90 -9.881 4.951 -13.352 738 HD12 ILE 90 1HD1 ILE 90 -8.265 4.292 -13.643 739 HD13 ILE 90 2HD1 ILE 90 -9.706 3.303 -13.983 740 H ASP 91 H ASP 91 -8.191 -0.484 -14.126 741 HA ASP 91 HA ASP 91 -6.727 -2.175 -12.271 742 HB2 ASP 91 2HB ASP 91 -8.791 -3.175 -14.277 743 HB3 ASP 91 3HB ASP 91 -7.403 -4.152 -13.813 Start of MODEL 22 1 H1 MET 1 H1 MET 1 -7.908 -18.944 -3.397 2 H2 MET 1 H2 MET 1 -8.182 -20.522 -3.152 3 H3 MET 1 H3 MET 1 -7.348 -19.625 -2.040 4 HA MET 1 HA MET 1 -5.737 -20.907 -3.240 5 HB2 MET 1 2HB MET 1 -7.300 -19.807 -5.586 6 HB3 MET 1 3HB MET 1 -5.566 -20.101 -5.772 7 HG2 MET 1 2HG MET 1 -5.877 -22.405 -4.885 8 HG3 MET 1 3HG MET 1 -7.630 -22.159 -4.936 9 HE1 MET 1 1HE MET 1 -7.243 -24.577 -6.355 10 HE2 MET 1 2HE MET 1 -6.380 -24.621 -7.912 11 HE3 MET 1 3HE MET 1 -5.479 -24.326 -6.408 12 H SER 2 H SER 2 -3.687 -19.812 -4.335 13 HA SER 2 HA SER 2 -2.906 -17.635 -2.866 14 HB2 SER 2 2HB SER 2 -1.943 -18.355 -5.658 15 HB3 SER 2 3HB SER 2 -0.994 -17.634 -4.338 16 HG SER 2 HG SER 2 -0.997 -19.553 -3.300 17 H GLU 3 H GLU 3 -4.646 -17.609 -6.000 18 HA GLU 3 HA GLU 3 -4.289 -14.772 -6.437 19 HB2 GLU 3 2HB GLU 3 -5.457 -16.986 -7.822 20 HB3 GLU 3 3HB GLU 3 -6.783 -15.851 -7.532 21 HG2 GLU 3 2HG GLU 3 -5.486 -14.030 -8.561 22 HG3 GLU 3 3HG GLU 3 -4.078 -15.091 -8.720 23 H GLU 4 H GLU 4 -6.766 -16.644 -4.605 24 HA GLU 4 HA GLU 4 -8.390 -14.304 -4.141 25 HB2 GLU 4 2HB GLU 4 -8.054 -16.827 -2.468 26 HB3 GLU 4 3HB GLU 4 -9.261 -15.572 -2.183 27 HG2 GLU 4 2HG GLU 4 -10.263 -15.958 -4.391 28 HG3 GLU 4 3HG GLU 4 -9.024 -17.165 -4.771 29 H THR 5 H THR 5 -5.576 -15.771 -2.412 30 HA THR 5 HA THR 5 -5.697 -13.933 -0.251 31 HB THR 5 HB THR 5 -3.128 -15.152 -1.306 32 HG1 THR 5 1HG THR 5 -5.191 -16.514 0.073 33 HG21 THR 5 1HG2 THR 5 -2.664 -15.494 1.100 34 HG22 THR 5 2HG2 THR 5 -3.020 -13.786 0.767 35 HG23 THR 5 3HG2 THR 5 -4.257 -14.819 1.514 36 H SER 6 H SER 6 -3.687 -13.898 -3.197 37 HA SER 6 HA SER 6 -2.322 -11.490 -2.700 38 HB2 SER 6 2HB SER 6 -1.829 -13.218 -4.473 39 HB3 SER 6 3HB SER 6 -3.195 -12.577 -5.409 40 HG SER 6 HG SER 6 -0.712 -11.721 -5.336 41 H THR 7 H THR 7 -5.369 -12.097 -4.443 42 HA THR 7 HA THR 7 -5.934 -9.384 -5.016 43 HB THR 7 HB THR 7 -7.708 -11.838 -4.962 44 HG1 THR 7 1HG THR 7 -6.494 -10.365 -7.078 45 HG21 THR 7 1HG2 THR 7 -9.198 -10.540 -6.494 46 HG22 THR 7 2HG2 THR 7 -9.209 -9.940 -4.832 47 HG23 THR 7 3HG2 THR 7 -8.291 -9.064 -6.082 48 H GLN 8 H GLN 8 -6.698 -11.279 -2.125 49 HA GLN 8 HA GLN 8 -8.640 -9.428 -1.038 50 HB2 GLN 8 2HB GLN 8 -6.705 -11.472 0.108 51 HB3 GLN 8 3HB GLN 8 -7.473 -10.332 1.177 52 HG2 GLN 8 2HG GLN 8 -9.090 -12.053 -0.734 53 HG3 GLN 8 3HG GLN 8 -8.619 -12.603 0.879 54 HE21 GLN 8 1HE2 GLN 8 -11.251 -11.384 -0.671 55 HE22 GLN 8 2HE2 GLN 8 -11.924 -10.461 0.670 56 H ILE 9 H ILE 9 -5.113 -9.565 -1.157 57 HA ILE 9 HA ILE 9 -4.881 -7.322 0.699 58 HB ILE 9 HB ILE 9 -2.738 -8.625 -0.992 59 HG12 ILE 9 2HG1 ILE 9 -3.124 -9.348 1.914 60 HG13 ILE 9 3HG1 ILE 9 -4.132 -10.163 0.738 61 HG21 ILE 9 1HG2 ILE 9 -2.126 -6.444 0.059 62 HG22 ILE 9 2HG2 ILE 9 -2.648 -7.070 1.635 63 HG23 ILE 9 3HG2 ILE 9 -1.240 -7.775 0.816 64 HD11 ILE 9 3HD1 ILE 9 -2.180 -10.829 -0.586 65 HD12 ILE 9 1HD1 ILE 9 -1.107 -10.057 0.585 66 HD13 ILE 9 2HD1 ILE 9 -2.111 -11.453 1.070 67 H LEU 10 H LEU 10 -4.794 -8.002 -2.747 68 HA LEU 10 HA LEU 10 -3.591 -5.675 -3.771 69 HB2 LEU 10 2HB LEU 10 -4.319 -8.024 -4.765 70 HB3 LEU 10 3HB LEU 10 -5.772 -7.136 -5.237 71 HG LEU 10 HG LEU 10 -2.865 -6.566 -5.984 72 HD11 LEU 10 1HD1 LEU 10 -3.857 -8.575 -7.041 73 HD12 LEU 10 2HD1 LEU 10 -5.254 -7.609 -7.583 74 HD13 LEU 10 3HD1 LEU 10 -3.636 -7.285 -8.233 75 HD21 LEU 10 3HD2 LEU 10 -3.916 -4.963 -7.598 76 HD22 LEU 10 1HD2 LEU 10 -5.459 -5.181 -6.737 77 HD23 LEU 10 2HD2 LEU 10 -4.054 -4.465 -5.897 78 H LYS 11 H LYS 11 -6.987 -6.524 -3.264 79 HA LYS 11 HA LYS 11 -7.907 -3.849 -3.910 80 HB2 LYS 11 2HB LYS 11 -9.212 -6.272 -2.635 81 HB3 LYS 11 3HB LYS 11 -10.074 -4.752 -2.960 82 HG2 LYS 11 2HG LYS 11 -9.762 -4.921 -5.314 83 HG3 LYS 11 3HG LYS 11 -8.468 -6.123 -5.166 84 HD2 LYS 11 2HD LYS 11 -10.425 -7.226 -5.922 85 HD3 LYS 11 3HD LYS 11 -10.111 -7.718 -4.232 86 HE2 LYS 11 2HE LYS 11 -11.745 -6.026 -3.425 87 HE3 LYS 11 3HE LYS 11 -11.936 -5.377 -5.041 88 HZ1 LYS 11 3HZ LYS 11 -13.753 -6.694 -4.406 89 HZ2 LYS 11 1HZ LYS 11 -13.010 -7.394 -5.696 90 HZ3 LYS 11 2HZ LYS 11 -12.824 -8.044 -4.178 91 H GLN 12 H GLN 12 -6.656 -5.379 -1.053 92 HA GLN 12 HA GLN 12 -7.813 -3.504 0.834 93 HB2 GLN 12 2HB GLN 12 -6.278 -5.806 1.109 94 HB3 GLN 12 3HB GLN 12 -5.128 -4.563 1.498 95 HG2 GLN 12 2HG GLN 12 -6.205 -5.281 3.531 96 HG3 GLN 12 3HG GLN 12 -6.745 -3.637 3.175 97 HE21 GLN 12 1HE2 GLN 12 -8.059 -6.580 1.451 98 HE22 GLN 12 2HE2 GLN 12 -9.620 -6.435 2.215 99 H VAL 13 H VAL 13 -4.896 -3.602 -1.186 100 HA VAL 13 HA VAL 13 -3.581 -1.315 -0.063 101 HB VAL 13 HB VAL 13 -3.369 -2.954 -2.594 102 HG11 VAL 13 1HG1 VAL 13 -2.751 -0.720 -3.327 103 HG12 VAL 13 2HG1 VAL 13 -1.701 -0.511 -1.898 104 HG13 VAL 13 3HG1 VAL 13 -1.298 -1.709 -3.154 105 HG21 VAL 13 3HG2 VAL 13 -1.241 -3.630 -1.640 106 HG22 VAL 13 1HG2 VAL 13 -1.403 -2.445 -0.326 107 HG23 VAL 13 2HG2 VAL 13 -2.496 -3.838 -0.409 108 H GLU 14 H GLU 14 -5.690 -1.751 -3.008 109 HA GLU 14 HA GLU 14 -5.656 1.087 -3.411 110 HB2 GLU 14 2HB GLU 14 -7.209 0.773 -5.139 111 HB3 GLU 14 3HB GLU 14 -6.160 -0.661 -5.132 112 HG2 GLU 14 2HG GLU 14 -7.949 -1.807 -3.777 113 HG3 GLU 14 3HG GLU 14 -9.031 -0.471 -4.172 114 H TYR 15 H TYR 15 -7.713 -0.949 -1.349 115 HA TYR 15 HA TYR 15 -9.813 0.867 -0.920 116 HB2 TYR 15 2HB TYR 15 -10.305 -1.259 -0.181 117 HB3 TYR 15 3HB TYR 15 -8.674 -1.554 0.403 118 HD1 TYR 15 HD2 TYR 15 -11.857 0.143 1.290 119 HD2 TYR 15 HD1 TYR 15 -7.925 -1.080 2.565 120 HE1 TYR 15 HE2 TYR 15 -12.348 0.943 3.567 121 HE2 TYR 15 HE1 TYR 15 -8.359 -0.225 4.802 122 HH TYR 15 HH TYR 15 -11.224 1.737 5.504 123 H TYR 16 H TYR 16 -6.673 0.441 0.834 124 HA TYR 16 HA TYR 16 -7.279 2.468 2.776 125 HB2 TYR 16 2HB TYR 16 -4.760 1.109 1.870 126 HB3 TYR 16 3HB TYR 16 -4.621 2.586 2.806 127 HD1 TYR 16 HD2 TYR 16 -5.864 2.797 5.038 128 HD2 TYR 16 HD1 TYR 16 -5.263 -0.949 2.999 129 HE1 TYR 16 HE2 TYR 16 -6.159 1.618 7.165 130 HE2 TYR 16 HE1 TYR 16 -5.518 -2.166 5.150 131 HH TYR 16 HH TYR 16 -5.918 -0.450 8.249 132 H PHE 17 H PHE 17 -6.349 2.789 -0.562 133 HA PHE 17 HA PHE 17 -5.668 5.643 -0.168 134 HB2 PHE 17 2HB PHE 17 -5.475 3.745 -2.535 135 HB3 PHE 17 3HB PHE 17 -5.128 5.461 -2.629 136 HD1 PHE 17 1HD PHE 17 -4.086 2.641 -0.258 137 HD2 PHE 17 2HD PHE 17 -2.883 5.967 -2.723 138 HE1 PHE 17 1HE PHE 17 -1.749 2.161 0.258 139 HE2 PHE 17 2HE PHE 17 -0.533 5.471 -2.233 140 HZ PHE 17 HZ PHE 17 0.053 3.520 -0.741 141 H SER 18 H SER 18 -8.373 3.673 -0.928 142 HA SER 18 HA SER 18 -9.630 5.769 -2.541 143 HB2 SER 18 2HB SER 18 -9.324 3.526 -3.540 144 HB3 SER 18 3HB SER 18 -10.227 2.808 -2.192 145 HG SER 18 HG SER 18 -11.797 3.064 -3.486 146 H ASP 19 H ASP 19 -9.950 4.196 0.484 147 HA ASP 19 HA ASP 19 -12.727 4.746 1.004 148 HB2 ASP 19 2HB ASP 19 -11.350 2.864 1.751 149 HB3 ASP 19 3HB ASP 19 -10.280 3.956 2.628 150 H SER 20 H SER 20 -10.777 7.078 0.375 151 HA SER 20 HA SER 20 -9.818 8.943 1.207 152 HB2 SER 20 2HB SER 20 -12.242 9.493 1.058 153 HB3 SER 20 3HB SER 20 -12.406 9.113 2.787 154 HG SER 20 HG SER 20 -10.846 10.718 3.193 155 H ASN 21 H ASN 21 -9.283 6.385 2.815 156 HA ASN 21 HA ASN 21 -9.113 7.322 5.523 157 HB2 ASN 21 2HB ASN 21 -8.788 4.820 4.261 158 HB3 ASN 21 3HB ASN 21 -7.197 5.185 4.940 159 HD21 ASN 21 1HD2 ASN 21 -9.238 3.123 5.778 160 HD22 ASN 21 2HD2 ASN 21 -9.484 3.492 7.468 161 H PHE 22 H PHE 22 -6.928 7.516 2.715 162 HA PHE 22 HA PHE 22 -4.586 8.077 3.881 163 HB2 PHE 22 2HB PHE 22 -5.569 8.192 1.344 164 HB3 PHE 22 3HB PHE 22 -5.231 9.892 1.614 165 HD1 PHE 22 1HD PHE 22 -2.847 10.448 2.650 166 HD2 PHE 22 2HD PHE 22 -3.877 6.734 0.713 167 HE1 PHE 22 1HE PHE 22 -0.449 9.988 2.234 168 HE2 PHE 22 2HE PHE 22 -1.511 6.288 0.312 169 HZ PHE 22 HZ PHE 22 0.228 7.890 1.031 170 HA PRO 23 HA PRO 23 -5.215 12.726 4.623 171 HB2 PRO 23 2HB PRO 23 -7.778 13.728 4.876 172 HB3 PRO 23 3HB PRO 23 -6.826 13.759 3.358 173 HG2 PRO 23 2HG PRO 23 -8.884 11.706 4.222 174 HG3 PRO 23 3HG PRO 23 -8.777 12.564 2.648 175 HD2 PRO 23 2HD PRO 23 -7.764 10.085 2.879 176 HD3 PRO 23 3HD PRO 23 -6.842 11.339 2.014 177 H ARG 24 H ARG 24 -7.433 10.269 5.860 178 HA ARG 24 HA ARG 24 -7.701 11.561 8.456 179 HB2 ARG 24 2HB ARG 24 -9.514 10.351 7.275 180 HB3 ARG 24 3HB ARG 24 -8.617 8.837 7.405 181 HG2 ARG 24 2HG ARG 24 -9.120 10.391 9.933 182 HG3 ARG 24 3HG ARG 24 -10.502 9.587 9.174 183 HD2 ARG 24 2HD ARG 24 -9.493 7.446 9.281 184 HD3 ARG 24 3HD ARG 24 -7.921 8.092 9.770 185 HE ARG 24 HE ARG 24 -9.361 9.040 11.758 186 HH11 ARG 24 2HH2 ARG 24 -9.206 5.822 10.379 187 HH12 ARG 24 1HH2 ARG 24 -9.920 4.996 11.728 188 HH21 ARG 24 2HH1 ARG 24 -10.188 8.003 13.655 189 HH22 ARG 24 1HH1 ARG 24 -10.401 6.290 13.702 190 H ASP 25 H ASP 25 -5.586 9.131 7.005 191 HA ASP 25 HA ASP 25 -4.813 8.113 9.679 192 HB2 ASP 25 2HB ASP 25 -4.598 7.019 6.869 193 HB3 ASP 25 3HB ASP 25 -3.607 6.395 8.192 194 H LYS 26 H LYS 26 -3.416 9.641 10.378 195 HA LYS 26 HA LYS 26 -1.368 10.886 8.924 196 HB2 LYS 26 2HB LYS 26 -0.418 11.525 10.998 197 HB3 LYS 26 3HB LYS 26 -2.167 11.453 11.238 198 HG2 LYS 26 2HG LYS 26 -1.743 9.028 12.127 199 HG3 LYS 26 3HG LYS 26 -0.033 9.509 12.190 200 HD2 LYS 26 2HD LYS 26 -0.791 11.535 13.556 201 HD3 LYS 26 3HD LYS 26 -2.391 10.752 13.643 202 HE2 LYS 26 2HE LYS 26 -1.273 8.714 14.614 203 HE3 LYS 26 3HE LYS 26 0.267 9.587 14.597 204 HZ1 LYS 26 3HZ LYS 26 -2.133 10.358 16.136 205 HZ2 LYS 26 1HZ LYS 26 -0.756 9.702 16.752 206 HZ3 LYS 26 2HZ LYS 26 -0.723 11.210 16.097 207 H PHE 27 H PHE 27 -1.530 7.588 9.965 208 HA PHE 27 HA PHE 27 1.199 6.792 9.906 209 HB2 PHE 27 2HB PHE 27 -0.834 5.504 10.694 210 HB3 PHE 27 3HB PHE 27 -1.291 5.267 9.016 211 HD1 PHE 27 2HD PHE 27 1.783 4.932 11.178 212 HD2 PHE 27 1HD PHE 27 -0.699 3.144 8.130 213 HE1 PHE 27 2HE PHE 27 3.200 2.927 11.205 214 HE2 PHE 27 1HE PHE 27 0.726 1.114 8.178 215 HZ PHE 27 HZ PHE 27 2.656 0.979 9.729 216 H LEU 28 H LEU 28 -1.293 6.912 7.298 217 HA LEU 28 HA LEU 28 0.526 6.036 5.216 218 HB2 LEU 28 2HB LEU 28 -2.167 7.418 5.290 219 HB3 LEU 28 3HB LEU 28 -1.290 7.227 3.778 220 HG LEU 28 HG LEU 28 -1.543 4.737 5.401 221 HD11 LEU 28 1HD1 LEU 28 -3.791 5.194 5.756 222 HD12 LEU 28 2HD1 LEU 28 -3.914 6.241 4.331 223 HD13 LEU 28 3HD1 LEU 28 -3.917 4.519 4.119 224 HD21 LEU 28 3HD2 LEU 28 -0.506 4.999 3.050 225 HD22 LEU 28 1HD2 LEU 28 -1.699 3.703 3.243 226 HD23 LEU 28 2HD2 LEU 28 -2.180 5.207 2.474 227 H ARG 29 H ARG 29 -0.738 9.216 6.196 228 HA ARG 29 HA ARG 29 0.706 10.749 4.312 229 HB2 ARG 29 2HB ARG 29 -0.414 11.508 7.032 230 HB3 ARG 29 3HB ARG 29 0.399 12.658 5.961 231 HG2 ARG 29 2HG ARG 29 -1.220 12.089 4.142 232 HG3 ARG 29 3HG ARG 29 -2.075 11.029 5.270 233 HD2 ARG 29 2HD ARG 29 -3.175 13.248 5.105 234 HD3 ARG 29 3HD ARG 29 -2.594 12.919 6.734 235 HE ARG 29 HE ARG 29 -1.180 14.687 6.605 236 HH11 ARG 29 2HH2 ARG 29 -2.191 13.918 3.314 237 HH12 ARG 29 1HH2 ARG 29 -1.391 15.259 2.572 238 HH21 ARG 29 2HH1 ARG 29 -0.090 16.498 5.645 239 HH22 ARG 29 1HH1 ARG 29 -0.185 16.768 3.945 240 H SER 30 H SER 30 1.852 9.421 7.409 241 HA SER 30 HA SER 30 4.173 11.061 7.682 242 HB2 SER 30 2HB SER 30 3.613 9.498 9.461 243 HB3 SER 30 3HB SER 30 3.586 8.128 8.342 244 HG SER 30 HG SER 30 5.734 8.088 8.226 245 H GLU 31 H GLU 31 3.506 8.073 5.767 246 HA GLU 31 HA GLU 31 6.294 8.099 4.901 247 HB2 GLU 31 2HB GLU 31 4.087 6.227 4.950 248 HB3 GLU 31 3HB GLU 31 4.696 6.355 3.305 249 HG2 GLU 31 2HG GLU 31 5.916 4.630 4.516 250 HG3 GLU 31 3HG GLU 31 7.001 5.954 4.107 251 H ALA 32 H ALA 32 3.130 8.973 3.469 252 HA ALA 32 HA ALA 32 4.208 9.696 0.921 253 HB1 ALA 32 1HB ALA 32 2.137 10.940 0.642 254 HB2 ALA 32 2HB ALA 32 1.812 9.372 1.393 255 HB3 ALA 32 3HB ALA 32 1.806 10.861 2.381 256 H ALA 33 H ALA 33 4.520 11.292 4.053 257 HA ALA 33 HA ALA 33 4.868 13.953 3.185 258 HB1 ALA 33 1HB ALA 33 4.667 13.164 5.594 259 HB2 ALA 33 2HB ALA 33 6.345 12.608 5.480 260 HB3 ALA 33 3HB ALA 33 5.976 14.328 5.294 261 H LYS 34 H LYS 34 6.842 11.227 2.328 262 HA LYS 34 HA LYS 34 9.259 12.845 1.907 263 HB2 LYS 34 2HB LYS 34 8.366 9.982 1.551 264 HB3 LYS 34 3HB LYS 34 9.626 10.590 0.503 265 HG2 LYS 34 2HG LYS 34 10.818 9.606 2.190 266 HG3 LYS 34 3HG LYS 34 10.865 11.298 2.682 267 HD2 LYS 34 2HD LYS 34 8.745 9.369 3.721 268 HD3 LYS 34 3HD LYS 34 10.360 9.422 4.433 269 HE2 LYS 34 2HE LYS 34 10.121 11.747 5.055 270 HE3 LYS 34 3HE LYS 34 8.579 11.868 4.200 271 HZ1 LYS 34 3HZ LYS 34 8.184 11.536 6.529 272 HZ2 LYS 34 1HZ LYS 34 7.675 10.225 5.715 273 HZ3 LYS 34 2HZ LYS 34 9.080 10.151 6.553 274 H ASN 35 H ASN 35 6.407 11.620 0.040 275 HA ASN 35 HA ASN 35 6.745 13.781 -1.806 276 HB2 ASN 35 2HB ASN 35 8.267 11.931 -2.789 277 HB3 ASN 35 3HB ASN 35 6.746 11.049 -3.095 278 HD21 ASN 35 1HD2 ASN 35 8.500 11.902 -5.222 279 HD22 ASN 35 2HD2 ASN 35 7.654 13.183 -6.075 280 H VAL 36 H VAL 36 4.821 14.471 -2.094 281 HA VAL 36 HA VAL 36 2.475 14.566 -1.829 282 HB VAL 36 HB VAL 36 3.443 13.361 -4.444 283 HG11 VAL 36 1HG1 VAL 36 1.077 12.921 -4.503 284 HG12 VAL 36 2HG1 VAL 36 0.706 14.533 -3.838 285 HG13 VAL 36 3HG1 VAL 36 1.386 14.350 -5.474 286 HG21 VAL 36 3HG2 VAL 36 3.272 15.710 -5.199 287 HG22 VAL 36 1HG2 VAL 36 2.702 16.198 -3.590 288 HG23 VAL 36 2HG2 VAL 36 4.356 15.583 -3.816 289 H ASP 37 H ASP 37 2.848 11.554 -3.530 290 HA ASP 37 HA ASP 37 1.630 9.876 -1.510 291 HB2 ASP 37 2HB ASP 37 -0.281 11.257 -2.696 292 HB3 ASP 37 3HB ASP 37 -0.049 10.136 -4.022 293 H ASN 38 H ASN 38 4.044 10.090 -3.029 294 HA ASN 38 HA ASN 38 3.949 7.833 -4.931 295 HB2 ASN 38 2HB ASN 38 5.693 10.313 -5.022 296 HB3 ASN 38 3HB ASN 38 5.892 8.905 -6.071 297 HD21 ASN 38 1HD2 ASN 38 5.452 11.485 -7.162 298 HD22 ASN 38 2HD2 ASN 38 3.855 11.446 -7.892 299 H TYR 39 H TYR 39 5.114 8.753 -1.886 300 HA TYR 39 HA TYR 39 7.348 6.795 -2.106 301 HB2 TYR 39 2HB TYR 39 7.536 9.576 -1.512 302 HB3 TYR 39 3HB TYR 39 7.737 8.716 -0.007 303 HD1 TYR 39 HD1 TYR 39 9.510 6.911 0.204 304 HD2 TYR 39 HD2 TYR 39 9.295 9.619 -3.141 305 HE1 TYR 39 HE1 TYR 39 11.878 6.431 -0.324 306 HE2 TYR 39 HE2 TYR 39 11.680 9.153 -3.673 307 HH TYR 39 HH TYR 39 13.709 6.976 -1.706 308 H ILE 40 H ILE 40 6.402 5.019 -1.143 309 HA ILE 40 HA ILE 40 5.283 5.435 1.538 310 HB ILE 40 HB ILE 40 3.784 3.765 -0.485 311 HG12 ILE 40 2HG1 ILE 40 3.189 6.661 0.257 312 HG13 ILE 40 3HG1 ILE 40 3.760 6.097 -1.325 313 HG21 ILE 40 1HG2 ILE 40 2.916 5.011 2.155 314 HG22 ILE 40 2HG2 ILE 40 2.011 3.833 1.180 315 HG23 ILE 40 3HG2 ILE 40 3.507 3.343 1.981 316 HD11 ILE 40 3HD1 ILE 40 1.084 5.488 -0.092 317 HD12 ILE 40 1HD1 ILE 40 1.457 6.488 -1.504 318 HD13 ILE 40 2HD1 ILE 40 1.712 4.748 -1.602 319 H SER 41 H SER 41 6.909 4.254 2.606 320 HA SER 41 HA SER 41 8.341 2.176 1.473 321 HB2 SER 41 2HB SER 41 7.745 2.832 4.390 322 HB3 SER 41 3HB SER 41 9.153 1.946 3.771 323 HG SER 41 HG SER 41 9.780 3.786 2.651 324 H ILE 42 H ILE 42 7.995 0.016 1.290 325 HA ILE 42 HA ILE 42 5.479 -1.186 1.899 326 HB ILE 42 HB ILE 42 6.475 -3.287 1.348 327 HG12 ILE 42 2HG1 ILE 42 9.005 -3.240 0.689 328 HG13 ILE 42 3HG1 ILE 42 9.122 -1.905 1.837 329 HG21 ILE 42 1HG2 ILE 42 7.179 -2.771 -0.881 330 HG22 ILE 42 2HG2 ILE 42 6.040 -1.499 -0.389 331 HG23 ILE 42 3HG2 ILE 42 7.771 -1.168 -0.410 332 HD11 ILE 42 3HD1 ILE 42 8.455 -3.439 3.662 333 HD12 ILE 42 1HD1 ILE 42 8.074 -4.707 2.475 334 HD13 ILE 42 2HD1 ILE 42 9.748 -4.180 2.727 335 H ASP 43 H ASP 43 8.065 -0.276 3.929 336 HA ASP 43 HA ASP 43 7.778 -2.198 5.994 337 HB2 ASP 43 2HB ASP 43 8.660 0.711 6.180 338 HB3 ASP 43 3HB ASP 43 9.132 -0.612 7.250 339 H VAL 44 H VAL 44 6.075 0.895 5.289 340 HA VAL 44 HA VAL 44 4.456 0.850 7.674 341 HB VAL 44 HB VAL 44 4.877 2.536 5.289 342 HG11 VAL 44 1HG1 VAL 44 2.685 3.657 5.327 343 HG12 VAL 44 2HG1 VAL 44 2.617 2.038 4.638 344 HG13 VAL 44 3HG1 VAL 44 2.022 2.326 6.296 345 HG21 VAL 44 3HG2 VAL 44 5.487 3.115 7.602 346 HG22 VAL 44 1HG2 VAL 44 4.362 4.298 6.903 347 HG23 VAL 44 2HG2 VAL 44 3.768 3.102 8.059 348 H ILE 45 H ILE 45 4.054 -0.135 4.290 349 HA ILE 45 HA ILE 45 1.259 -0.786 4.571 350 HB ILE 45 HB ILE 45 3.204 -1.865 2.537 351 HG12 ILE 45 2HG1 ILE 45 1.677 0.784 2.267 352 HG13 ILE 45 3HG1 ILE 45 3.364 0.716 2.732 353 HG21 ILE 45 1HG2 ILE 45 0.798 -2.731 2.562 354 HG22 ILE 45 2HG2 ILE 45 0.263 -1.092 2.177 355 HG23 ILE 45 3HG2 ILE 45 1.271 -1.999 1.032 356 HD11 ILE 45 3HD1 ILE 45 3.958 -0.390 0.603 357 HD12 ILE 45 1HD1 ILE 45 2.267 -0.195 0.076 358 HD13 ILE 45 2HD1 ILE 45 3.268 1.222 0.407 359 H ALA 46 H ALA 46 4.225 -2.649 4.852 360 HA ALA 46 HA ALA 46 2.947 -5.184 5.278 361 HB1 ALA 46 1HB ALA 46 5.368 -5.040 4.762 362 HB2 ALA 46 2HB ALA 46 5.649 -4.092 6.237 363 HB3 ALA 46 3HB ALA 46 5.142 -5.790 6.357 364 H SER 47 H SER 47 3.925 -2.432 7.314 365 HA SER 47 HA SER 47 3.040 -3.792 9.752 366 HB2 SER 47 2HB SER 47 5.041 -2.299 9.614 367 HB3 SER 47 3HB SER 47 3.950 -0.920 9.365 368 HG SER 47 HG SER 47 2.964 -1.547 11.390 369 H PHE 48 H PHE 48 1.089 -2.674 7.388 370 HA PHE 48 HA PHE 48 -0.510 -0.762 8.684 371 HB2 PHE 48 2HB PHE 48 -0.520 -2.201 6.237 372 HB3 PHE 48 3HB PHE 48 -2.102 -2.470 6.930 373 HD1 PHE 48 2HD PHE 48 -2.530 0.244 8.255 374 HD2 PHE 48 1HD PHE 48 -1.018 -0.939 4.385 375 HE1 PHE 48 2HE PHE 48 -3.309 2.391 7.277 376 HE2 PHE 48 1HE PHE 48 -1.826 1.189 3.419 377 HZ PHE 48 HZ PHE 48 -2.978 2.828 4.879 378 H ASN 49 H ASN 49 -0.123 -3.742 9.980 379 HA ASN 49 HA ASN 49 -1.235 -5.203 11.231 380 HB2 ASN 49 2HB ASN 49 -1.960 -3.276 12.570 381 HB3 ASN 49 3HB ASN 49 -3.421 -3.124 11.579 382 HD21 ASN 49 1HD2 ASN 49 -5.030 -3.784 13.119 383 HD22 ASN 49 2HD2 ASN 49 -4.960 -5.378 13.853 384 H ARG 50 H ARG 50 -4.044 -3.713 9.549 385 HA ARG 50 HA ARG 50 -5.415 -6.108 9.024 386 HB2 ARG 50 2HB ARG 50 -6.140 -3.636 8.838 387 HB3 ARG 50 3HB ARG 50 -5.367 -3.624 7.250 388 HG2 ARG 50 2HG ARG 50 -6.945 -5.440 6.518 389 HG3 ARG 50 3HG ARG 50 -7.704 -5.373 8.128 390 HD2 ARG 50 2HD ARG 50 -8.062 -2.859 7.711 391 HD3 ARG 50 3HD ARG 50 -7.526 -3.139 6.060 392 HE ARG 50 HE ARG 50 -9.466 -4.198 5.530 393 HH11 ARG 50 2HH2 ARG 50 -9.465 -3.535 8.990 394 HH12 ARG 50 1HH2 ARG 50 -11.148 -3.865 9.225 395 HH21 ARG 50 2HH1 ARG 50 -11.681 -4.658 5.793 396 HH22 ARG 50 1HH1 ARG 50 -12.451 -4.537 7.336 397 H MET 51 H MET 51 -2.835 -4.619 7.178 398 HA MET 51 HA MET 51 -2.973 -6.404 4.876 399 HB2 MET 51 2HB MET 51 -0.702 -4.716 6.019 400 HB3 MET 51 3HB MET 51 -0.630 -5.595 4.488 401 HG2 MET 51 2HG MET 51 -2.639 -3.407 5.119 402 HG3 MET 51 3HG MET 51 -1.125 -3.181 4.239 403 HE1 MET 51 3HE MET 51 -3.290 -1.945 3.301 404 HE2 MET 51 1HE MET 51 -2.073 -2.128 2.024 405 HE3 MET 51 2HE MET 51 -3.783 -2.475 1.682 406 H LYS 52 H LYS 52 -0.975 -6.202 7.876 407 HA LYS 52 HA LYS 52 0.658 -8.421 7.306 408 HB2 LYS 52 2HB LYS 52 0.922 -6.616 9.131 409 HB3 LYS 52 3HB LYS 52 -0.212 -7.572 10.098 410 HG2 LYS 52 2HG LYS 52 1.289 -9.547 9.863 411 HG3 LYS 52 3HG LYS 52 2.420 -8.564 8.908 412 HD2 LYS 52 2HD LYS 52 2.679 -7.018 10.845 413 HD3 LYS 52 3HD LYS 52 1.609 -8.052 11.806 414 HE2 LYS 52 2HE LYS 52 4.281 -8.848 10.560 415 HE3 LYS 52 3HE LYS 52 3.991 -8.521 12.275 416 HZ1 LYS 52 3HZ LYS 52 3.980 -10.871 11.842 417 HZ2 LYS 52 1HZ LYS 52 2.466 -10.410 12.291 418 HZ3 LYS 52 2HZ LYS 52 2.799 -10.729 10.711 419 H THR 53 H THR 53 -2.593 -8.251 8.813 420 HA THR 53 HA THR 53 -2.590 -11.029 9.592 421 HB THR 53 HB THR 53 -5.038 -10.432 10.037 422 HG1 THR 53 1HG THR 53 -5.567 -8.290 9.850 423 HG21 THR 53 1HG2 THR 53 -2.890 -8.559 11.130 424 HG22 THR 53 2HG2 THR 53 -4.441 -8.932 11.914 425 HG23 THR 53 3HG2 THR 53 -3.211 -10.203 11.718 426 H ILE 54 H ILE 54 -4.321 -9.099 7.055 427 HA ILE 54 HA ILE 54 -5.613 -11.405 5.983 428 HB ILE 54 HB ILE 54 -4.956 -8.715 4.766 429 HG12 ILE 54 2HG1 ILE 54 -6.531 -8.771 6.718 430 HG13 ILE 54 3HG1 ILE 54 -7.158 -8.058 5.230 431 HG21 ILE 54 1HG2 ILE 54 -5.209 -10.133 2.864 432 HG22 ILE 54 2HG2 ILE 54 -6.629 -10.926 3.555 433 HG23 ILE 54 3HG2 ILE 54 -6.705 -9.211 3.059 434 HD11 ILE 54 3HD1 ILE 54 -8.375 -10.104 4.717 435 HD12 ILE 54 1HD1 ILE 54 -7.684 -10.902 6.151 436 HD13 ILE 54 2HD1 ILE 54 -8.797 -9.529 6.341 437 H SER 55 H SER 55 -2.403 -10.097 5.350 438 HA SER 55 HA SER 55 -1.913 -12.030 3.180 439 HB2 SER 55 2HB SER 55 0.047 -10.232 4.689 440 HB3 SER 55 3HB SER 55 0.356 -11.111 3.177 441 HG SER 55 HG SER 55 -0.156 -9.075 2.608 442 H THR 56 H THR 56 -1.169 -11.682 6.607 443 HA THR 56 HA THR 56 -0.183 -12.997 8.106 444 HB THR 56 HB THR 56 -0.845 -15.141 6.079 445 HG1 THR 56 1HG THR 56 -2.454 -13.851 7.289 446 HG21 THR 56 1HG2 THR 56 0.971 -16.048 7.477 447 HG22 THR 56 2HG2 THR 56 0.165 -15.443 8.946 448 HG23 THR 56 3HG2 THR 56 -0.582 -16.737 7.981 449 H ASP 57 H ASP 57 1.361 -12.902 4.849 450 HA ASP 57 HA ASP 57 3.968 -13.058 6.145 451 HB2 ASP 57 2HB ASP 57 3.468 -15.309 5.309 452 HB3 ASP 57 3HB ASP 57 2.967 -14.644 3.745 453 H LEU 58 H LEU 58 5.402 -11.757 5.146 454 HA LEU 58 HA LEU 58 4.494 -9.464 3.746 455 HB2 LEU 58 2HB LEU 58 7.365 -10.385 4.040 456 HB3 LEU 58 3HB LEU 58 6.743 -8.750 3.910 457 HG LEU 58 HG LEU 58 7.347 -8.898 6.066 458 HD11 LEU 58 1HD1 LEU 58 5.460 -8.702 7.493 459 HD12 LEU 58 2HD1 LEU 58 4.990 -8.117 5.886 460 HD13 LEU 58 3HD1 LEU 58 4.462 -9.719 6.442 461 HD21 LEU 58 3HD2 LEU 58 7.393 -10.590 7.592 462 HD22 LEU 58 1HD2 LEU 58 6.102 -11.514 6.840 463 HD23 LEU 58 2HD2 LEU 58 7.706 -11.429 6.071 464 H GLN 59 H GLN 59 5.545 -12.559 2.684 465 HA GLN 59 HA GLN 59 6.589 -11.849 0.110 466 HB2 GLN 59 2HB GLN 59 6.794 -14.050 1.335 467 HB3 GLN 59 3HB GLN 59 5.102 -14.372 0.944 468 HG2 GLN 59 2HG GLN 59 6.653 -13.594 -1.446 469 HG3 GLN 59 3HG GLN 59 7.381 -14.969 -0.623 470 HE21 GLN 59 1HE2 GLN 59 4.471 -13.834 -2.366 471 HE22 GLN 59 2HE2 GLN 59 3.848 -15.472 -2.587 472 H LEU 60 H LEU 60 3.327 -12.546 1.390 473 HA LEU 60 HA LEU 60 2.017 -12.166 -1.202 474 HB2 LEU 60 2HB LEU 60 1.297 -12.985 1.585 475 HB3 LEU 60 3HB LEU 60 0.099 -11.986 0.816 476 HG LEU 60 HG LEU 60 -0.301 -14.414 0.545 477 HD11 LEU 60 1HD1 LEU 60 -0.811 -14.378 -1.873 478 HD12 LEU 60 2HD1 LEU 60 -1.286 -12.878 -1.067 479 HD13 LEU 60 3HD1 LEU 60 0.173 -12.918 -2.074 480 HD21 LEU 60 3HD2 LEU 60 2.096 -15.094 0.330 481 HD22 LEU 60 1HD2 LEU 60 1.051 -15.764 -0.938 482 HD23 LEU 60 2HD2 LEU 60 2.109 -14.391 -1.302 483 H ILE 61 H ILE 61 2.872 -10.172 1.600 484 HA ILE 61 HA ILE 61 1.130 -7.992 0.752 485 HB ILE 61 HB ILE 61 2.581 -8.528 3.032 486 HG12 ILE 61 2HG1 ILE 61 0.513 -7.291 2.951 487 HG13 ILE 61 3HG1 ILE 61 1.718 -6.450 3.909 488 HG21 ILE 61 1HG2 ILE 61 4.070 -6.660 3.494 489 HG22 ILE 61 2HG2 ILE 61 4.713 -7.623 2.171 490 HG23 ILE 61 3HG2 ILE 61 3.933 -6.076 1.828 491 HD11 ILE 61 3HD1 ILE 61 0.977 -5.743 1.026 492 HD12 ILE 61 1HD1 ILE 61 0.366 -4.940 2.470 493 HD13 ILE 61 2HD1 ILE 61 2.091 -4.837 2.081 494 H THR 62 H THR 62 4.440 -8.980 0.070 495 HA THR 62 HA THR 62 5.084 -6.516 -1.341 496 HB THR 62 HB THR 62 6.471 -9.226 -1.217 497 HG1 THR 62 1HG THR 62 7.028 -6.689 -0.051 498 HG21 THR 62 1HG2 THR 62 7.422 -6.595 -2.448 499 HG22 THR 62 2HG2 THR 62 8.456 -8.003 -2.117 500 HG23 THR 62 3HG2 THR 62 7.152 -8.128 -3.306 501 H GLU 63 H GLU 63 4.001 -9.838 -2.276 502 HA GLU 63 HA GLU 63 4.096 -9.185 -5.071 503 HB2 GLU 63 2HB GLU 63 3.836 -11.558 -4.136 504 HB3 GLU 63 3HB GLU 63 2.123 -11.158 -3.860 505 HG2 GLU 63 2HG GLU 63 2.098 -10.389 -6.348 506 HG3 GLU 63 3HG GLU 63 3.686 -11.112 -6.497 507 H ALA 64 H ALA 64 1.607 -8.703 -2.572 508 HA ALA 64 HA ALA 64 -0.532 -7.997 -4.258 509 HB1 ALA 64 1HB ALA 64 0.168 -6.668 -1.606 510 HB2 ALA 64 2HB ALA 64 -1.427 -6.731 -2.381 511 HB3 ALA 64 3HB ALA 64 -0.670 -8.226 -1.783 512 H LEU 65 H LEU 65 2.114 -5.919 -3.023 513 HA LEU 65 HA LEU 65 1.216 -3.558 -4.443 514 HB2 LEU 65 2HB LEU 65 3.825 -4.435 -3.154 515 HB3 LEU 65 3HB LEU 65 3.703 -2.913 -4.025 516 HG LEU 65 HG LEU 65 1.811 -3.611 -1.756 517 HD11 LEU 65 1HD1 LEU 65 4.236 -3.598 -1.044 518 HD12 LEU 65 2HD1 LEU 65 4.340 -1.922 -1.652 519 HD13 LEU 65 3HD1 LEU 65 3.258 -2.339 -0.296 520 HD21 LEU 65 3HD2 LEU 65 1.143 -1.752 -3.368 521 HD22 LEU 65 1HD2 LEU 65 1.405 -1.196 -1.720 522 HD23 LEU 65 2HD2 LEU 65 2.653 -0.921 -2.955 523 H LYS 66 H LYS 66 3.438 -6.232 -5.220 524 HA LYS 66 HA LYS 66 4.407 -4.935 -7.620 525 HB2 LYS 66 2HB LYS 66 5.291 -6.993 -6.068 526 HB3 LYS 66 3HB LYS 66 4.619 -7.910 -7.410 527 HG2 LYS 66 2HG LYS 66 6.449 -5.522 -7.915 528 HG3 LYS 66 3HG LYS 66 7.151 -7.025 -7.342 529 HD2 LYS 66 2HD LYS 66 5.413 -6.920 -9.830 530 HD3 LYS 66 3HD LYS 66 7.168 -6.687 -9.848 531 HE2 LYS 66 2HE LYS 66 7.524 -8.866 -8.786 532 HE3 LYS 66 3HE LYS 66 5.778 -9.132 -8.670 533 HZ1 LYS 66 3HZ LYS 66 5.668 -9.106 -11.066 534 HZ2 LYS 66 1HZ LYS 66 7.288 -8.838 -11.187 535 HZ3 LYS 66 2HZ LYS 66 6.736 -10.257 -10.564 536 H LYS 67 H LYS 67 1.478 -6.611 -6.920 537 HA LYS 67 HA LYS 67 0.793 -6.554 -9.828 538 HB2 LYS 67 2HB LYS 67 -0.415 -8.117 -7.503 539 HB3 LYS 67 3HB LYS 67 -1.100 -8.059 -9.134 540 HG2 LYS 67 2HG LYS 67 0.930 -9.071 -10.076 541 HG3 LYS 67 3HG LYS 67 1.677 -9.120 -8.469 542 HD2 LYS 67 2HD LYS 67 -0.127 -10.594 -7.655 543 HD3 LYS 67 3HD LYS 67 -0.897 -10.563 -9.258 544 HE2 LYS 67 2HE LYS 67 1.064 -11.640 -10.270 545 HE3 LYS 67 3HE LYS 67 1.953 -11.503 -8.745 546 HZ1 LYS 67 3HZ LYS 67 1.247 -13.630 -8.741 547 HZ2 LYS 67 1HZ LYS 67 0.220 -12.931 -7.753 548 HZ3 LYS 67 2HZ LYS 67 -0.311 -13.306 -9.285 549 H SER 68 H SER 68 0.961 -4.062 -8.120 550 HA SER 68 HA SER 68 -1.519 -3.527 -6.956 551 HB2 SER 68 2HB SER 68 -0.806 -1.116 -7.326 552 HB3 SER 68 3HB SER 68 0.290 -2.093 -6.397 553 HG SER 68 HG SER 68 0.439 -1.369 -9.121 554 H THR 69 H THR 69 -3.391 -2.804 -7.668 555 HA THR 69 HA THR 69 -3.897 -2.651 -10.546 556 HB THR 69 HB THR 69 -5.289 -4.074 -9.219 557 HG1 THR 69 1HG THR 69 -7.352 -2.821 -9.578 558 HG21 THR 69 1HG2 THR 69 -5.163 -2.765 -6.972 559 HG22 THR 69 2HG2 THR 69 -6.377 -1.710 -7.689 560 HG23 THR 69 3HG2 THR 69 -6.723 -3.417 -7.446 561 H ARG 70 H ARG 70 -4.874 -0.536 -7.732 562 HA ARG 70 HA ARG 70 -5.255 1.643 -9.625 563 HB2 ARG 70 2HB ARG 70 -6.746 1.150 -7.611 564 HB3 ARG 70 3HB ARG 70 -5.420 1.723 -6.585 565 HG2 ARG 70 2HG ARG 70 -5.501 3.914 -7.866 566 HG3 ARG 70 3HG ARG 70 -6.926 3.311 -8.713 567 HD2 ARG 70 2HD ARG 70 -8.264 3.546 -6.796 568 HD3 ARG 70 3HD ARG 70 -6.901 3.301 -5.704 569 HE ARG 70 HE ARG 70 -6.592 5.510 -5.582 570 HH11 ARG 70 2HH2 ARG 70 -8.313 5.000 -8.641 571 HH12 ARG 70 1HH2 ARG 70 -8.218 6.676 -9.112 572 HH21 ARG 70 2HH1 ARG 70 -6.288 7.703 -6.360 573 HH22 ARG 70 1HH1 ARG 70 -6.977 8.182 -7.833 574 H LEU 71 H LEU 71 -2.503 0.487 -7.720 575 HA LEU 71 HA LEU 71 -1.271 3.160 -7.981 576 HB2 LEU 71 2HB LEU 71 -0.169 1.326 -5.939 577 HB3 LEU 71 3HB LEU 71 -0.429 3.047 -5.897 578 HG LEU 71 HG LEU 71 -2.605 0.980 -5.399 579 HD11 LEU 71 1HD1 LEU 71 -2.283 1.659 -3.023 580 HD12 LEU 71 2HD1 LEU 71 -0.835 0.882 -3.707 581 HD13 LEU 71 3HD1 LEU 71 -0.888 2.639 -3.510 582 HD21 LEU 71 3HD2 LEU 71 -2.595 3.914 -4.623 583 HD22 LEU 71 1HD2 LEU 71 -3.357 3.363 -6.120 584 HD23 LEU 71 2HD2 LEU 71 -3.940 2.780 -4.546 585 H GLN 72 H GLN 72 1.262 2.663 -7.927 586 HA GLN 72 HA GLN 72 1.920 0.210 -9.437 587 HB2 GLN 72 2HB GLN 72 1.818 2.901 -10.555 588 HB3 GLN 72 3HB GLN 72 3.496 2.368 -10.472 589 HG2 GLN 72 2HG GLN 72 2.566 1.716 -12.606 590 HG3 GLN 72 3HG GLN 72 2.904 0.265 -11.653 591 HE21 GLN 72 1HE2 GLN 72 1.204 -1.269 -11.645 592 HE22 GLN 72 2HE2 GLN 72 -0.479 -0.795 -11.755 593 H VAL 73 H VAL 73 3.461 -0.766 -8.224 594 HA VAL 73 HA VAL 73 5.035 0.836 -6.346 595 HB VAL 73 HB VAL 73 4.017 -1.408 -5.796 596 HG11 VAL 73 1HG1 VAL 73 6.324 -2.492 -7.478 597 HG12 VAL 73 2HG1 VAL 73 5.267 -3.417 -6.411 598 HG13 VAL 73 3HG1 VAL 73 4.592 -2.637 -7.864 599 HG21 VAL 73 3HG2 VAL 73 5.762 -0.456 -4.372 600 HG22 VAL 73 1HG2 VAL 73 5.972 -2.203 -4.504 601 HG23 VAL 73 2HG2 VAL 73 7.025 -1.122 -5.430 602 H SER 74 H SER 74 7.261 0.979 -6.454 603 HA SER 74 HA SER 74 8.412 1.074 -9.127 604 HB2 SER 74 2HB SER 74 8.859 2.509 -6.860 605 HB3 SER 74 3HB SER 74 10.138 1.297 -6.698 606 HG SER 74 HG SER 74 11.156 2.448 -8.112 607 H GLU 75 H GLU 75 10.413 -0.089 -9.692 608 HA GLU 75 HA GLU 75 10.297 -2.890 -9.133 609 HB2 GLU 75 2HB GLU 75 12.449 -1.074 -10.276 610 HB3 GLU 75 3HB GLU 75 12.573 -2.840 -10.255 611 HG2 GLU 75 2HG GLU 75 11.102 -3.114 -11.970 612 HG3 GLU 75 3HG GLU 75 9.984 -1.907 -11.351 613 H ASP 76 H ASP 76 11.630 -0.189 -7.323 614 HA ASP 76 HA ASP 76 13.645 -1.547 -5.862 615 HB2 ASP 76 2HB ASP 76 11.816 0.679 -4.871 616 HB3 ASP 76 3HB ASP 76 13.449 0.312 -4.318 617 H GLY 77 H GLY 77 10.113 -1.507 -5.711 618 HA2 GLY 77 2HA GLY 77 8.593 -2.272 -4.119 619 HA3 GLY 77 3HA GLY 77 9.809 -3.501 -3.711 620 H LYS 78 H LYS 78 10.419 -0.034 -3.466 621 HA LYS 78 HA LYS 78 9.879 -0.115 -0.536 622 HB2 LYS 78 2HB LYS 78 12.458 0.197 -1.714 623 HB3 LYS 78 3HB LYS 78 11.962 1.804 -1.190 624 HG2 LYS 78 2HG LYS 78 12.960 0.956 0.748 625 HG3 LYS 78 3HG LYS 78 11.249 0.624 1.045 626 HD2 LYS 78 2HD LYS 78 11.917 -1.687 -0.201 627 HD3 LYS 78 3HD LYS 78 13.518 -1.248 0.360 628 HE2 LYS 78 2HE LYS 78 11.042 -1.964 1.941 629 HE3 LYS 78 3HE LYS 78 12.634 -2.704 2.003 630 HZ1 LYS 78 3HZ LYS 78 13.387 -0.635 3.134 631 HZ2 LYS 78 1HZ LYS 78 11.803 -0.107 3.130 632 HZ3 LYS 78 2HZ LYS 78 12.163 -1.395 3.966 633 H MET 79 H MET 79 8.942 1.306 -3.505 634 HA MET 79 HA MET 79 7.303 3.003 -1.842 635 HB2 MET 79 2HB MET 79 7.680 5.038 -3.168 636 HB3 MET 79 3HB MET 79 9.163 4.587 -2.328 637 HG2 MET 79 2HG MET 79 8.533 3.968 -5.244 638 HG3 MET 79 3HG MET 79 9.420 5.385 -4.713 639 HE1 MET 79 3HE MET 79 11.537 4.823 -2.776 640 HE2 MET 79 1HE MET 79 12.886 4.173 -3.739 641 HE3 MET 79 2HE MET 79 11.918 5.522 -4.368 642 H VAL 80 H VAL 80 5.494 3.996 -3.114 643 HA VAL 80 HA VAL 80 4.882 2.724 -5.644 644 HB VAL 80 HB VAL 80 4.037 1.000 -4.238 645 HG11 VAL 80 1HG1 VAL 80 2.604 1.422 -2.237 646 HG12 VAL 80 2HG1 VAL 80 4.262 1.993 -2.037 647 HG13 VAL 80 3HG1 VAL 80 2.955 3.147 -2.412 648 HG21 VAL 80 3HG2 VAL 80 1.636 1.071 -4.377 649 HG22 VAL 80 1HG2 VAL 80 1.633 2.837 -4.536 650 HG23 VAL 80 2HG2 VAL 80 2.300 1.815 -5.831 651 H ARG 81 H ARG 81 3.157 3.841 -6.695 652 HA ARG 81 HA ARG 81 2.518 6.504 -5.532 653 HB2 ARG 81 2HB ARG 81 2.771 7.426 -7.868 654 HB3 ARG 81 3HB ARG 81 4.287 7.043 -7.059 655 HG2 ARG 81 2HG ARG 81 3.063 4.978 -8.905 656 HG3 ARG 81 3HG ARG 81 3.850 6.406 -9.586 657 HD2 ARG 81 2HD ARG 81 5.901 5.926 -8.295 658 HD3 ARG 81 3HD ARG 81 5.167 4.435 -7.678 659 HE ARG 81 HE ARG 81 4.954 4.317 -10.454 660 HH11 ARG 81 2HH2 ARG 81 7.520 4.446 -8.043 661 HH12 ARG 81 1HH2 ARG 81 8.697 3.594 -8.981 662 HH21 ARG 81 2HH1 ARG 81 6.528 3.167 -11.772 663 HH22 ARG 81 1HH1 ARG 81 8.105 2.855 -11.145 664 H ARG 82 H ARG 82 0.535 7.403 -6.290 665 HA ARG 82 HA ARG 82 -1.275 5.200 -7.198 666 HB2 ARG 82 2HB ARG 82 -2.985 6.144 -5.750 667 HB3 ARG 82 3HB ARG 82 -1.498 5.760 -4.880 668 HG2 ARG 82 2HG ARG 82 -2.146 7.697 -3.937 669 HG3 ARG 82 3HG ARG 82 -0.870 8.222 -5.021 670 HD2 ARG 82 2HD ARG 82 -2.443 9.299 -6.473 671 HD3 ARG 82 3HD ARG 82 -3.807 8.397 -5.776 672 HE ARG 82 HE ARG 82 -3.221 9.522 -3.597 673 HH11 ARG 82 2HH2 ARG 82 -2.420 11.304 -6.581 674 HH12 ARG 82 1HH2 ARG 82 -2.340 12.800 -5.872 675 HH21 ARG 82 2HH1 ARG 82 -2.832 11.344 -2.575 676 HH22 ARG 82 1HH1 ARG 82 -2.641 12.877 -3.393 677 H LEU 83 H LEU 83 -3.501 6.166 -7.873 678 HA LEU 83 HA LEU 83 -2.897 7.621 -10.324 679 HB2 LEU 83 2HB LEU 83 -5.012 5.877 -9.238 680 HB3 LEU 83 3HB LEU 83 -5.712 7.284 -10.030 681 HG LEU 83 HG LEU 83 -3.521 5.701 -11.402 682 HD11 LEU 83 1HD1 LEU 83 -5.190 4.049 -10.755 683 HD12 LEU 83 2HD1 LEU 83 -6.504 5.071 -11.390 684 HD13 LEU 83 3HD1 LEU 83 -5.301 4.360 -12.494 685 HD21 LEU 83 3HD2 LEU 83 -4.643 6.586 -13.416 686 HD22 LEU 83 1HD2 LEU 83 -5.904 7.330 -12.414 687 HD23 LEU 83 2HD2 LEU 83 -4.229 7.918 -12.321 688 H ASP 84 H ASP 84 -2.972 9.790 -10.444 689 HA ASP 84 HA ASP 84 -3.409 11.262 -8.148 690 HB2 ASP 84 2HB ASP 84 -1.992 11.769 -10.278 691 HB3 ASP 84 3HB ASP 84 -3.438 12.621 -10.833 692 HA PRO 85 HA PRO 85 -7.653 12.774 -9.582 693 HB2 PRO 85 2HB PRO 85 -9.122 11.285 -11.352 694 HB3 PRO 85 3HB PRO 85 -8.033 12.615 -11.864 695 HG2 PRO 85 2HG PRO 85 -7.426 9.645 -11.785 696 HG3 PRO 85 3HG PRO 85 -7.151 10.791 -13.138 697 HD2 PRO 85 2HD PRO 85 -5.175 10.108 -11.434 698 HD3 PRO 85 3HD PRO 85 -5.309 11.789 -12.029 699 H LEU 86 H LEU 86 -9.350 12.173 -8.270 700 HA LEU 86 HA LEU 86 -8.689 10.192 -6.423 701 HB2 LEU 86 2HB LEU 86 -10.593 10.916 -5.197 702 HB3 LEU 86 3HB LEU 86 -9.955 12.315 -6.018 703 HG LEU 86 HG LEU 86 -11.924 11.191 -7.790 704 HD11 LEU 86 1HD1 LEU 86 -13.921 11.152 -6.371 705 HD12 LEU 86 2HD1 LEU 86 -12.768 9.938 -5.799 706 HD13 LEU 86 3HD1 LEU 86 -12.939 11.476 -4.925 707 HD21 LEU 86 3HD2 LEU 86 -12.063 13.607 -5.950 708 HD22 LEU 86 1HD2 LEU 86 -11.378 13.572 -7.592 709 HD23 LEU 86 2HD2 LEU 86 -13.108 13.288 -7.352 710 HA PRO 87 HA PRO 87 -10.493 6.537 -7.973 711 HB2 PRO 87 2HB PRO 87 -11.362 5.247 -5.643 712 HB3 PRO 87 3HB PRO 87 -9.711 5.223 -6.291 713 HG2 PRO 87 2HG PRO 87 -10.784 6.747 -3.979 714 HG3 PRO 87 3HG PRO 87 -9.086 6.278 -4.372 715 HD2 PRO 87 2HD PRO 87 -10.228 8.839 -4.666 716 HD3 PRO 87 3HD PRO 87 -8.668 8.280 -5.334 717 H GLU 88 H GLU 88 -12.368 6.361 -9.053 718 HA GLU 88 HA GLU 88 -14.845 7.403 -7.889 719 HB2 GLU 88 2HB GLU 88 -14.059 7.797 -10.244 720 HB3 GLU 88 3HB GLU 88 -14.326 6.089 -10.595 721 HG2 GLU 88 2HG GLU 88 -16.724 6.337 -10.073 722 HG3 GLU 88 3HG GLU 88 -16.456 7.996 -9.518 723 H ASN 89 H ASN 89 -14.910 5.899 -6.119 724 HA ASN 89 HA ASN 89 -15.581 4.076 -4.969 725 HB2 ASN 89 2HB ASN 89 -17.215 3.550 -7.457 726 HB3 ASN 89 3HB ASN 89 -17.351 2.646 -5.956 727 HD21 ASN 89 1HD2 ASN 89 -19.572 3.272 -5.631 728 HD22 ASN 89 2HD2 ASN 89 -19.933 4.912 -5.100 729 H ILE 90 H ILE 90 -13.410 3.227 -5.053 730 HA ILE 90 HA ILE 90 -13.285 0.780 -6.749 731 HB ILE 90 HB ILE 90 -11.110 2.725 -5.906 732 HG12 ILE 90 2HG1 ILE 90 -12.475 3.589 -7.785 733 HG13 ILE 90 3HG1 ILE 90 -10.807 3.280 -8.234 734 HG21 ILE 90 1HG2 ILE 90 -9.604 1.362 -7.405 735 HG22 ILE 90 2HG2 ILE 90 -10.084 0.628 -5.876 736 HG23 ILE 90 3HG2 ILE 90 -10.856 0.099 -7.377 737 HD11 ILE 90 3HD1 ILE 90 -13.150 1.430 -8.868 738 HD12 ILE 90 1HD1 ILE 90 -12.360 2.545 -9.994 739 HD13 ILE 90 2HD1 ILE 90 -11.454 1.168 -9.346 740 H ASP 91 H ASP 91 -13.123 -1.129 -5.608 741 HA ASP 91 HA ASP 91 -11.612 -1.451 -3.226 742 HB2 ASP 91 2HB ASP 91 -13.355 -1.970 -1.677 743 HB3 ASP 91 3HB ASP 91 -13.685 -0.353 -2.271 Start of MODEL 23 1 H1 MET 1 H1 MET 1 -4.865 -19.900 -2.972 2 H2 MET 1 H2 MET 1 -4.443 -19.420 -1.436 3 H3 MET 1 H3 MET 1 -5.416 -18.474 -2.377 4 HA MET 1 HA MET 1 -3.277 -17.547 -2.276 5 HB2 MET 1 2HB MET 1 -1.375 -18.621 -3.274 6 HB3 MET 1 3HB MET 1 -1.982 -19.611 -1.959 7 HG2 MET 1 2HG MET 1 -2.550 -21.354 -3.332 8 HG3 MET 1 3HG MET 1 -3.077 -20.310 -4.644 9 HE1 MET 1 1HE MET 1 -2.115 -21.629 -6.583 10 HE2 MET 1 2HE MET 1 -0.476 -22.321 -6.616 11 HE3 MET 1 3HE MET 1 -1.662 -22.906 -5.425 12 H SER 2 H SER 2 -2.081 -18.191 -5.180 13 HA SER 2 HA SER 2 -2.511 -17.501 -7.264 14 HB2 SER 2 2HB SER 2 -5.437 -18.128 -6.716 15 HB3 SER 2 3HB SER 2 -4.563 -18.225 -8.252 16 HG SER 2 HG SER 2 -4.871 -20.255 -7.183 17 H GLU 3 H GLU 3 -4.631 -16.137 -8.505 18 HA GLU 3 HA GLU 3 -4.082 -13.499 -7.578 19 HB2 GLU 3 2HB GLU 3 -4.532 -14.453 -9.944 20 HB3 GLU 3 3HB GLU 3 -6.246 -14.252 -9.572 21 HG2 GLU 3 2HG GLU 3 -6.073 -11.902 -9.558 22 HG3 GLU 3 3HG GLU 3 -4.374 -11.931 -9.065 23 H GLU 4 H GLU 4 -6.490 -15.784 -6.582 24 HA GLU 4 HA GLU 4 -8.465 -13.900 -5.645 25 HB2 GLU 4 2HB GLU 4 -7.614 -16.655 -4.629 26 HB3 GLU 4 3HB GLU 4 -9.054 -15.787 -4.086 27 HG2 GLU 4 2HG GLU 4 -10.064 -15.925 -6.281 28 HG3 GLU 4 3HG GLU 4 -8.576 -16.568 -6.995 29 H THR 5 H THR 5 -5.770 -15.582 -3.901 30 HA THR 5 HA THR 5 -6.163 -13.982 -1.554 31 HB THR 5 HB THR 5 -3.652 -15.426 -2.472 32 HG1 THR 5 1HG THR 5 -5.978 -16.275 -1.108 33 HG21 THR 5 1HG2 THR 5 -3.235 -15.676 -0.030 34 HG22 THR 5 2HG2 THR 5 -3.265 -13.972 -0.515 35 HG23 THR 5 3HG2 THR 5 -4.669 -14.681 0.310 36 H SER 6 H SER 6 -4.018 -13.629 -4.423 37 HA SER 6 HA SER 6 -2.562 -11.404 -3.488 38 HB2 SER 6 2HB SER 6 -2.222 -12.745 -5.642 39 HB3 SER 6 3HB SER 6 -3.542 -11.790 -6.342 40 HG SER 6 HG SER 6 -1.045 -10.860 -5.359 41 H THR 7 H THR 7 -5.650 -11.479 -5.261 42 HA THR 7 HA THR 7 -6.099 -8.653 -5.107 43 HB THR 7 HB THR 7 -7.975 -10.944 -5.808 44 HG1 THR 7 1HG THR 7 -6.508 -10.851 -7.357 45 HG21 THR 7 1HG2 THR 7 -9.345 -8.982 -5.288 46 HG22 THR 7 2HG2 THR 7 -8.267 -7.945 -6.268 47 HG23 THR 7 3HG2 THR 7 -9.259 -9.198 -7.043 48 H GLN 8 H GLN 8 -6.928 -11.241 -2.814 49 HA GLN 8 HA GLN 8 -8.846 -9.688 -1.307 50 HB2 GLN 8 2HB GLN 8 -6.790 -11.812 -0.574 51 HB3 GLN 8 3HB GLN 8 -7.706 -10.992 0.655 52 HG2 GLN 8 2HG GLN 8 -8.980 -12.501 -1.668 53 HG3 GLN 8 3HG GLN 8 -8.708 -13.183 -0.059 54 HE21 GLN 8 1HE2 GLN 8 -11.310 -13.199 -0.973 55 HE22 GLN 8 2HE2 GLN 8 -12.213 -11.959 -0.111 56 H ILE 9 H ILE 9 -5.320 -9.822 -1.421 57 HA ILE 9 HA ILE 9 -5.065 -7.982 0.806 58 HB ILE 9 HB ILE 9 -2.954 -8.778 -1.257 59 HG12 ILE 9 2HG1 ILE 9 -3.158 -10.041 1.482 60 HG13 ILE 9 3HG1 ILE 9 -4.092 -10.730 0.172 61 HG21 ILE 9 1HG2 ILE 9 -1.401 -8.189 0.633 62 HG22 ILE 9 2HG2 ILE 9 -2.378 -6.811 0.111 63 HG23 ILE 9 3HG2 ILE 9 -2.815 -7.697 1.590 64 HD11 ILE 9 3HD1 ILE 9 -2.044 -11.000 -1.193 65 HD12 ILE 9 1HD1 ILE 9 -1.074 -10.340 0.141 66 HD13 ILE 9 2HD1 ILE 9 -1.951 -11.869 0.348 67 H LEU 10 H LEU 10 -4.908 -7.861 -2.767 68 HA LEU 10 HA LEU 10 -3.870 -5.248 -2.779 69 HB2 LEU 10 2HB LEU 10 -4.535 -7.331 -4.673 70 HB3 LEU 10 3HB LEU 10 -5.166 -5.847 -5.293 71 HG LEU 10 HG LEU 10 -2.328 -6.443 -4.350 72 HD11 LEU 10 1HD1 LEU 10 -3.399 -5.971 -7.163 73 HD12 LEU 10 2HD1 LEU 10 -1.740 -6.396 -6.704 74 HD13 LEU 10 3HD1 LEU 10 -3.035 -7.549 -6.442 75 HD21 LEU 10 3HD2 LEU 10 -1.596 -4.287 -5.170 76 HD22 LEU 10 1HD2 LEU 10 -3.245 -3.850 -5.670 77 HD23 LEU 10 2HD2 LEU 10 -2.826 -4.005 -3.972 78 H LYS 11 H LYS 11 -7.176 -6.458 -2.977 79 HA LYS 11 HA LYS 11 -8.432 -3.891 -3.466 80 HB2 LYS 11 2HB LYS 11 -9.400 -6.391 -1.998 81 HB3 LYS 11 3HB LYS 11 -10.392 -4.952 -2.216 82 HG2 LYS 11 2HG LYS 11 -9.290 -6.680 -4.465 83 HG3 LYS 11 3HG LYS 11 -10.945 -6.667 -3.853 84 HD2 LYS 11 2HD LYS 11 -10.921 -4.120 -4.489 85 HD3 LYS 11 3HD LYS 11 -9.469 -4.538 -5.420 86 HE2 LYS 11 2HE LYS 11 -11.219 -4.743 -6.984 87 HE3 LYS 11 3HE LYS 11 -10.854 -6.405 -6.502 88 HZ1 LYS 11 3HZ LYS 11 -13.211 -6.015 -6.529 89 HZ2 LYS 11 1HZ LYS 11 -12.746 -6.272 -4.973 90 HZ3 LYS 11 2HZ LYS 11 -13.086 -4.748 -5.494 91 H GLN 12 H GLN 12 -7.226 -5.602 -0.581 92 HA GLN 12 HA GLN 12 -8.197 -3.716 1.315 93 HB2 GLN 12 2HB GLN 12 -6.760 -6.170 1.378 94 HB3 GLN 12 3HB GLN 12 -5.676 -5.008 2.075 95 HG2 GLN 12 2HG GLN 12 -6.967 -5.932 3.849 96 HG3 GLN 12 3HG GLN 12 -7.491 -4.264 3.627 97 HE21 GLN 12 1HE2 GLN 12 -8.546 -7.026 1.459 98 HE22 GLN 12 2HE2 GLN 12 -10.188 -6.957 2.037 99 H VAL 13 H VAL 13 -5.192 -3.850 -0.600 100 HA VAL 13 HA VAL 13 -3.819 -1.843 0.961 101 HB VAL 13 HB VAL 13 -3.457 -3.145 -1.743 102 HG11 VAL 13 1HG1 VAL 13 -1.183 -2.117 -1.840 103 HG12 VAL 13 2HG1 VAL 13 -2.463 -0.900 -1.931 104 HG13 VAL 13 3HG1 VAL 13 -1.579 -1.133 -0.410 105 HG21 VAL 13 3HG2 VAL 13 -1.590 -4.291 -0.700 106 HG22 VAL 13 1HG2 VAL 13 -1.722 -3.284 0.757 107 HG23 VAL 13 2HG2 VAL 13 -2.988 -4.459 0.380 108 H GLU 14 H GLU 14 -5.511 -1.884 -2.204 109 HA GLU 14 HA GLU 14 -5.320 0.909 -2.562 110 HB2 GLU 14 2HB GLU 14 -5.904 -0.596 -4.420 111 HB3 GLU 14 3HB GLU 14 -7.364 -1.115 -3.576 112 HG2 GLU 14 2HG GLU 14 -7.814 0.552 -5.374 113 HG3 GLU 14 3HG GLU 14 -8.392 1.069 -3.805 114 H TYR 15 H TYR 15 -7.595 -1.041 -0.630 115 HA TYR 15 HA TYR 15 -9.691 0.816 -0.527 116 HB2 TYR 15 2HB TYR 15 -10.361 -1.209 0.264 117 HB3 TYR 15 3HB TYR 15 -8.812 -1.581 0.994 118 HD1 TYR 15 HD2 TYR 15 -11.963 0.316 1.523 119 HD2 TYR 15 HD1 TYR 15 -8.231 -1.036 3.209 120 HE1 TYR 15 HE2 TYR 15 -12.629 1.224 3.712 121 HE2 TYR 15 HE1 TYR 15 -8.842 -0.073 5.372 122 HH TYR 15 HH TYR 15 -11.614 2.067 5.707 123 H TYR 16 H TYR 16 -6.738 0.545 1.533 124 HA TYR 16 HA TYR 16 -7.513 2.589 3.351 125 HB2 TYR 16 2HB TYR 16 -4.855 1.418 2.522 126 HB3 TYR 16 3HB TYR 16 -4.872 2.887 3.471 127 HD1 TYR 16 HD1 TYR 16 -5.796 -0.689 3.492 128 HD2 TYR 16 HD2 TYR 16 -5.611 2.953 5.777 129 HE1 TYR 16 HE1 TYR 16 -5.870 -2.005 5.576 130 HE2 TYR 16 HE2 TYR 16 -5.760 1.665 7.870 131 HH TYR 16 HH TYR 16 -5.632 -0.483 8.804 132 H PHE 17 H PHE 17 -6.223 2.933 0.068 133 HA PHE 17 HA PHE 17 -5.944 5.836 0.442 134 HB2 PHE 17 2HB PHE 17 -5.486 3.992 -1.935 135 HB3 PHE 17 3HB PHE 17 -5.306 5.743 -2.006 136 HD1 PHE 17 1HD PHE 17 -3.904 2.621 -0.552 137 HD2 PHE 17 2HD PHE 17 -3.437 6.900 -0.921 138 HE1 PHE 17 1HE PHE 17 -1.668 2.479 0.511 139 HE2 PHE 17 2HE PHE 17 -1.211 6.748 0.125 140 HZ PHE 17 HZ PHE 17 -0.339 4.553 0.890 141 H SER 18 H SER 18 -8.207 3.533 -0.917 142 HA SER 18 HA SER 18 -9.605 5.470 -2.539 143 HB2 SER 18 2HB SER 18 -9.182 3.130 -3.265 144 HB3 SER 18 3HB SER 18 -10.092 2.529 -1.877 145 HG SER 18 HG SER 18 -11.792 4.065 -3.033 146 H ASP 19 H ASP 19 -9.870 4.356 0.661 147 HA ASP 19 HA ASP 19 -12.721 4.950 1.014 148 HB2 ASP 19 2HB ASP 19 -11.482 3.025 1.893 149 HB3 ASP 19 3HB ASP 19 -10.402 4.100 2.786 150 H SER 20 H SER 20 -10.681 7.042 0.190 151 HA SER 20 HA SER 20 -9.631 8.950 0.769 152 HB2 SER 20 2HB SER 20 -12.311 9.396 2.132 153 HB3 SER 20 3HB SER 20 -11.182 10.662 1.599 154 HG SER 20 HG SER 20 -11.427 9.790 -0.550 155 H ASN 21 H ASN 21 -9.117 6.762 2.721 156 HA ASN 21 HA ASN 21 -9.011 8.207 5.268 157 HB2 ASN 21 2HB ASN 21 -9.176 5.451 4.491 158 HB3 ASN 21 3HB ASN 21 -7.689 5.656 5.414 159 HD21 ASN 21 1HD2 ASN 21 -10.720 4.628 5.907 160 HD22 ASN 21 2HD2 ASN 21 -10.963 5.230 7.520 161 H PHE 22 H PHE 22 -6.837 7.641 2.555 162 HA PHE 22 HA PHE 22 -4.389 7.642 3.862 163 HB2 PHE 22 2HB PHE 22 -3.942 7.229 1.744 164 HB3 PHE 22 3HB PHE 22 -5.407 8.012 1.178 165 HD1 PHE 22 1HD PHE 22 -2.015 8.978 2.536 166 HD2 PHE 22 2HD PHE 22 -5.243 9.839 -0.186 167 HE1 PHE 22 1HE PHE 22 -0.826 10.994 1.754 168 HE2 PHE 22 2HE PHE 22 -4.119 11.868 -0.905 169 HZ PHE 22 HZ PHE 22 -1.851 12.476 0.041 170 HA PRO 23 HA PRO 23 -4.139 12.305 3.718 171 HB2 PRO 23 2HB PRO 23 -6.376 13.925 3.666 172 HB3 PRO 23 3HB PRO 23 -5.552 13.327 2.184 173 HG2 PRO 23 2HG PRO 23 -7.989 12.174 3.574 174 HG3 PRO 23 3HG PRO 23 -7.763 12.497 1.825 175 HD2 PRO 23 2HD PRO 23 -7.405 10.044 2.907 176 HD3 PRO 23 3HD PRO 23 -6.382 10.613 1.569 177 H ARG 24 H ARG 24 -6.708 10.683 5.406 178 HA ARG 24 HA ARG 24 -6.907 12.552 7.641 179 HB2 ARG 24 2HB ARG 24 -8.775 11.089 6.627 180 HB3 ARG 24 3HB ARG 24 -7.935 9.691 7.310 181 HG2 ARG 24 2HG ARG 24 -8.115 10.897 9.593 182 HG3 ARG 24 3HG ARG 24 -9.238 12.009 8.774 183 HD2 ARG 24 2HD ARG 24 -10.627 10.029 8.106 184 HD3 ARG 24 3HD ARG 24 -9.475 8.974 8.952 185 HE ARG 24 HE ARG 24 -10.571 11.081 10.622 186 HH11 ARG 24 2HH2 ARG 24 -11.097 7.829 9.373 187 HH12 ARG 24 1HH2 ARG 24 -12.186 7.334 10.625 188 HH21 ARG 24 2HH1 ARG 24 -11.996 10.450 12.353 189 HH22 ARG 24 1HH1 ARG 24 -12.689 8.872 12.376 190 H ASP 25 H ASP 25 -5.486 9.327 6.978 191 HA ASP 25 HA ASP 25 -4.798 9.042 9.771 192 HB2 ASP 25 2HB ASP 25 -5.515 7.207 7.993 193 HB3 ASP 25 3HB ASP 25 -3.793 7.234 7.589 194 H LYS 26 H LYS 26 -3.208 10.286 10.434 195 HA LYS 26 HA LYS 26 -1.077 11.393 8.950 196 HB2 LYS 26 2HB LYS 26 -1.093 10.682 11.916 197 HB3 LYS 26 3HB LYS 26 0.184 11.587 11.113 198 HG2 LYS 26 2HG LYS 26 -1.190 13.169 12.195 199 HG3 LYS 26 3HG LYS 26 -1.465 13.352 10.459 200 HD2 LYS 26 2HD LYS 26 -3.608 12.367 10.588 201 HD3 LYS 26 3HD LYS 26 -3.279 11.624 12.178 202 HE2 LYS 26 2HE LYS 26 -3.209 13.872 13.202 203 HE3 LYS 26 3HE LYS 26 -3.547 14.607 11.623 204 HZ1 LYS 26 3HZ LYS 26 -5.323 12.741 13.069 205 HZ2 LYS 26 1HZ LYS 26 -5.553 14.364 12.920 206 HZ3 LYS 26 2HZ LYS 26 -5.633 13.387 11.588 207 H PHE 27 H PHE 27 -1.397 8.147 10.182 208 HA PHE 27 HA PHE 27 1.301 7.231 10.069 209 HB2 PHE 27 2HB PHE 27 -0.790 6.099 11.027 210 HB3 PHE 27 3HB PHE 27 -1.287 5.750 9.379 211 HD1 PHE 27 2HD PHE 27 1.637 5.389 11.691 212 HD2 PHE 27 1HD PHE 27 -0.613 3.658 8.446 213 HE1 PHE 27 2HE PHE 27 3.036 3.372 11.808 214 HE2 PHE 27 1HE PHE 27 0.771 1.600 8.592 215 HZ PHE 27 HZ PHE 27 2.593 1.446 10.279 216 H LEU 28 H LEU 28 -1.292 7.191 7.527 217 HA LEU 28 HA LEU 28 0.537 6.161 5.503 218 HB2 LEU 28 2HB LEU 28 -2.071 7.738 5.287 219 HB3 LEU 28 3HB LEU 28 -1.124 7.194 3.907 220 HG LEU 28 HG LEU 28 -1.452 4.923 5.602 221 HD11 LEU 28 1HD1 LEU 28 -4.151 4.994 4.931 222 HD12 LEU 28 2HD1 LEU 28 -3.483 5.248 6.557 223 HD13 LEU 28 3HD1 LEU 28 -3.888 6.621 5.534 224 HD21 LEU 28 3HD2 LEU 28 -1.025 4.922 3.202 225 HD22 LEU 28 1HD2 LEU 28 -2.496 4.005 3.542 226 HD23 LEU 28 2HD2 LEU 28 -2.620 5.643 2.886 227 H ARG 29 H ARG 29 -0.830 9.328 6.242 228 HA ARG 29 HA ARG 29 0.378 10.748 4.235 229 HB2 ARG 29 2HB ARG 29 -1.518 11.375 5.865 230 HB3 ARG 29 3HB ARG 29 -0.237 12.024 6.908 231 HG2 ARG 29 2HG ARG 29 0.465 13.567 5.134 232 HG3 ARG 29 3HG ARG 29 -0.640 12.785 3.976 233 HD2 ARG 29 2HD ARG 29 -2.566 13.405 5.372 234 HD3 ARG 29 3HD ARG 29 -1.488 14.230 6.517 235 HE ARG 29 HE ARG 29 -0.892 15.369 4.087 236 HH11 ARG 29 2HH2 ARG 29 -3.929 14.889 5.852 237 HH12 ARG 29 1HH2 ARG 29 -4.588 16.434 5.460 238 HH21 ARG 29 2HH1 ARG 29 -1.813 17.402 3.441 239 HH22 ARG 29 1HH1 ARG 29 -3.382 17.868 3.990 240 H SER 30 H SER 30 1.873 9.772 7.284 241 HA SER 30 HA SER 30 4.092 11.619 7.147 242 HB2 SER 30 2HB SER 30 3.660 8.891 8.471 243 HB3 SER 30 3HB SER 30 5.208 9.772 8.566 244 HG SER 30 HG SER 30 2.662 10.622 9.443 245 H GLU 31 H GLU 31 3.584 8.287 5.825 246 HA GLU 31 HA GLU 31 6.290 8.367 4.698 247 HB2 GLU 31 2HB GLU 31 4.438 6.337 5.306 248 HB3 GLU 31 3HB GLU 31 4.499 6.353 3.544 249 HG2 GLU 31 2HG GLU 31 6.172 4.818 4.523 250 HG3 GLU 31 3HG GLU 31 6.953 6.110 3.604 251 H ALA 32 H ALA 32 2.977 8.864 3.503 252 HA ALA 32 HA ALA 32 3.532 9.158 0.780 253 HB1 ALA 32 1HB ALA 32 1.559 10.722 2.491 254 HB2 ALA 32 2HB ALA 32 1.455 10.490 0.747 255 HB3 ALA 32 3HB ALA 32 1.268 9.093 1.820 256 H ALA 33 H ALA 33 3.781 11.505 3.444 257 HA ALA 33 HA ALA 33 4.204 13.848 1.983 258 HB1 ALA 33 1HB ALA 33 3.619 13.939 4.318 259 HB2 ALA 33 2HB ALA 33 5.072 13.033 4.793 260 HB3 ALA 33 3HB ALA 33 5.214 14.685 4.147 261 H LYS 34 H LYS 34 6.514 11.170 2.261 262 HA LYS 34 HA LYS 34 8.814 12.885 2.098 263 HB2 LYS 34 2HB LYS 34 8.418 9.942 1.403 264 HB3 LYS 34 3HB LYS 34 9.923 10.749 1.785 265 HG2 LYS 34 2HG LYS 34 7.640 10.222 3.723 266 HG3 LYS 34 3HG LYS 34 9.161 9.345 3.620 267 HD2 LYS 34 2HD LYS 34 10.386 11.304 4.416 268 HD3 LYS 34 3HD LYS 34 8.925 12.307 4.303 269 HE2 LYS 34 2HE LYS 34 9.341 11.581 6.640 270 HE3 LYS 34 3HE LYS 34 7.790 11.025 5.999 271 HZ1 LYS 34 3HZ LYS 34 8.820 9.215 7.130 272 HZ2 LYS 34 1HZ LYS 34 8.805 8.872 5.570 273 HZ3 LYS 34 2HZ LYS 34 10.215 9.351 6.252 274 H ASN 35 H ASN 35 6.445 11.635 -0.184 275 HA ASN 35 HA ASN 35 7.581 13.402 -2.159 276 HB2 ASN 35 2HB ASN 35 8.852 11.243 -2.576 277 HB3 ASN 35 3HB ASN 35 7.276 10.498 -2.965 278 HD21 ASN 35 1HD2 ASN 35 8.834 10.241 -5.060 279 HD22 ASN 35 2HD2 ASN 35 8.621 11.547 -6.214 280 H VAL 36 H VAL 36 5.390 14.019 -1.069 281 HA VAL 36 HA VAL 36 3.224 14.535 -1.393 282 HB VAL 36 HB VAL 36 4.069 13.766 -4.163 283 HG11 VAL 36 1HG1 VAL 36 1.828 14.442 -5.030 284 HG12 VAL 36 2HG1 VAL 36 1.922 12.826 -4.340 285 HG13 VAL 36 3HG1 VAL 36 1.171 14.148 -3.399 286 HG21 VAL 36 3HG2 VAL 36 2.778 16.233 -2.945 287 HG22 VAL 36 1HG2 VAL 36 4.529 15.974 -3.135 288 HG23 VAL 36 2HG2 VAL 36 3.492 16.091 -4.566 289 H ASP 37 H ASP 37 3.288 11.528 -3.214 290 HA ASP 37 HA ASP 37 2.503 9.851 -1.095 291 HB2 ASP 37 2HB ASP 37 0.265 11.075 -1.531 292 HB3 ASP 37 3HB ASP 37 0.240 10.236 -3.076 293 H ASN 38 H ASN 38 4.468 9.960 -2.927 294 HA ASN 38 HA ASN 38 4.093 7.655 -4.772 295 HB2 ASN 38 2HB ASN 38 4.800 10.083 -5.572 296 HB3 ASN 38 3HB ASN 38 6.355 9.664 -4.868 297 HD21 ASN 38 1HD2 ASN 38 5.645 10.232 -7.732 298 HD22 ASN 38 2HD2 ASN 38 6.113 8.755 -8.559 299 H TYR 39 H TYR 39 5.314 8.606 -1.723 300 HA TYR 39 HA TYR 39 7.171 6.315 -1.793 301 HB2 TYR 39 2HB TYR 39 7.695 9.003 -0.883 302 HB3 TYR 39 3HB TYR 39 7.683 7.917 0.499 303 HD1 TYR 39 HD2 TYR 39 9.021 5.674 0.274 304 HD2 TYR 39 HD1 TYR 39 9.667 9.126 -2.226 305 HE1 TYR 39 HE2 TYR 39 11.263 4.825 -0.299 306 HE2 TYR 39 HE1 TYR 39 11.930 8.283 -2.803 307 HH TYR 39 HH TYR 39 13.227 5.201 -1.557 308 H ILE 40 H ILE 40 6.225 4.644 -0.866 309 HA ILE 40 HA ILE 40 4.818 5.034 1.671 310 HB ILE 40 HB ILE 40 3.676 3.314 -0.592 311 HG12 ILE 40 2HG1 ILE 40 2.287 5.739 0.581 312 HG13 ILE 40 3HG1 ILE 40 3.274 5.867 -0.871 313 HG21 ILE 40 1HG2 ILE 40 2.636 3.975 2.207 314 HG22 ILE 40 2HG2 ILE 40 1.833 2.916 1.033 315 HG23 ILE 40 3HG2 ILE 40 3.379 2.435 1.730 316 HD11 ILE 40 3HD1 ILE 40 1.036 3.836 -0.798 317 HD12 ILE 40 1HD1 ILE 40 0.779 5.543 -1.228 318 HD13 ILE 40 2HD1 ILE 40 1.866 4.546 -2.179 319 H SER 41 H SER 41 6.400 3.868 2.897 320 HA SER 41 HA SER 41 8.081 1.924 1.543 321 HB2 SER 41 2HB SER 41 7.776 2.763 4.457 322 HB3 SER 41 3HB SER 41 9.000 1.625 3.850 323 HG SER 41 HG SER 41 8.751 4.077 2.540 324 H ILE 42 H ILE 42 7.858 -0.268 1.601 325 HA ILE 42 HA ILE 42 5.405 -1.493 2.161 326 HB ILE 42 HB ILE 42 6.960 -2.539 0.742 327 HG12 ILE 42 2HG1 ILE 42 5.415 -3.930 2.289 328 HG13 ILE 42 3HG1 ILE 42 6.588 -4.704 1.237 329 HG21 ILE 42 1HG2 ILE 42 8.868 -2.785 3.112 330 HG22 ILE 42 2HG2 ILE 42 9.078 -3.593 1.539 331 HG23 ILE 42 3HG2 ILE 42 9.117 -1.836 1.638 332 HD11 ILE 42 3HD1 ILE 42 6.493 -5.738 3.485 333 HD12 ILE 42 1HD1 ILE 42 8.104 -5.149 3.073 334 HD13 ILE 42 2HD1 ILE 42 7.092 -4.239 4.210 335 H ASP 43 H ASP 43 7.948 -0.525 4.359 336 HA ASP 43 HA ASP 43 7.425 -2.168 6.558 337 HB2 ASP 43 2HB ASP 43 8.274 0.754 6.525 338 HB3 ASP 43 3HB ASP 43 8.523 -0.396 7.846 339 H VAL 44 H VAL 44 5.777 0.848 5.558 340 HA VAL 44 HA VAL 44 4.180 1.116 7.932 341 HB VAL 44 HB VAL 44 4.575 2.469 5.339 342 HG11 VAL 44 1HG1 VAL 44 2.385 3.578 5.235 343 HG12 VAL 44 2HG1 VAL 44 2.310 1.869 4.800 344 HG13 VAL 44 3HG1 VAL 44 1.733 2.409 6.403 345 HG21 VAL 44 3HG2 VAL 44 3.520 3.413 8.028 346 HG22 VAL 44 1HG2 VAL 44 5.232 3.352 7.539 347 HG23 VAL 44 2HG2 VAL 44 4.109 4.438 6.708 348 H ILE 45 H ILE 45 3.854 -0.477 4.783 349 HA ILE 45 HA ILE 45 1.065 -1.079 5.133 350 HB ILE 45 HB ILE 45 2.991 -2.528 3.288 351 HG12 ILE 45 2HG1 ILE 45 1.516 0.086 2.657 352 HG13 ILE 45 3HG1 ILE 45 3.238 0.008 3.019 353 HG21 ILE 45 1HG2 ILE 45 0.688 -3.413 3.521 354 HG22 ILE 45 2HG2 ILE 45 0.026 -1.810 3.112 355 HG23 ILE 45 3HG2 ILE 45 0.924 -2.742 1.903 356 HD11 ILE 45 3HD1 ILE 45 3.565 -1.564 1.120 357 HD12 ILE 45 1HD1 ILE 45 1.889 -1.245 0.624 358 HD13 ILE 45 2HD1 ILE 45 3.077 0.068 0.659 359 H ALA 46 H ALA 46 4.068 -2.840 5.719 360 HA ALA 46 HA ALA 46 2.765 -5.236 6.648 361 HB1 ALA 46 1HB ALA 46 5.073 -5.894 7.302 362 HB2 ALA 46 2HB ALA 46 5.030 -5.276 5.639 363 HB3 ALA 46 3HB ALA 46 5.641 -4.247 6.953 364 H SER 47 H SER 47 3.445 -2.110 8.016 365 HA SER 47 HA SER 47 3.007 -3.133 10.759 366 HB2 SER 47 2HB SER 47 4.917 -1.614 10.264 367 HB3 SER 47 3HB SER 47 3.762 -0.364 9.772 368 HG SER 47 HG SER 47 2.840 -0.671 11.951 369 H PHE 48 H PHE 48 1.004 -2.197 8.194 370 HA PHE 48 HA PHE 48 -0.778 -0.469 9.582 371 HB2 PHE 48 2HB PHE 48 -0.748 -1.950 7.039 372 HB3 PHE 48 3HB PHE 48 -2.339 -1.980 7.735 373 HD1 PHE 48 1HD PHE 48 -2.559 0.699 9.035 374 HD2 PHE 48 2HD PHE 48 -1.001 -0.559 5.208 375 HE1 PHE 48 1HE PHE 48 -3.236 2.865 8.037 376 HE2 PHE 48 2HE PHE 48 -1.726 1.588 4.210 377 HZ PHE 48 HZ PHE 48 -2.901 3.239 5.615 378 H ASN 49 H ASN 49 -0.094 -3.643 10.359 379 HA ASN 49 HA ASN 49 -1.051 -5.262 11.557 380 HB2 ASN 49 2HB ASN 49 -1.980 -3.277 12.937 381 HB3 ASN 49 3HB ASN 49 -3.525 -3.581 12.123 382 HD21 ASN 49 1HD2 ASN 49 -3.389 -3.869 14.895 383 HD22 ASN 49 2HD2 ASN 49 -3.425 -5.584 15.276 384 H ARG 50 H ARG 50 -4.011 -3.785 10.153 385 HA ARG 50 HA ARG 50 -5.225 -6.172 9.433 386 HB2 ARG 50 2HB ARG 50 -6.287 -3.902 9.438 387 HB3 ARG 50 3HB ARG 50 -5.382 -3.496 7.968 388 HG2 ARG 50 2HG ARG 50 -6.551 -5.333 6.746 389 HG3 ARG 50 3HG ARG 50 -7.452 -5.717 8.229 390 HD2 ARG 50 2HD ARG 50 -8.314 -3.333 8.208 391 HD3 ARG 50 3HD ARG 50 -7.493 -3.095 6.670 392 HE ARG 50 HE ARG 50 -9.085 -4.350 5.551 393 HH11 ARG 50 2HH2 ARG 50 -9.606 -4.689 9.026 394 HH12 ARG 50 1HH2 ARG 50 -11.127 -5.498 8.869 395 HH21 ARG 50 2HH1 ARG 50 -11.021 -5.436 5.308 396 HH22 ARG 50 1HH1 ARG 50 -11.987 -5.918 6.669 397 H MET 51 H MET 51 -3.009 -4.239 7.397 398 HA MET 51 HA MET 51 -3.411 -5.904 5.079 399 HB2 MET 51 2HB MET 51 -2.028 -3.475 5.549 400 HB3 MET 51 3HB MET 51 -0.768 -4.649 5.132 401 HG2 MET 51 2HG MET 51 -1.436 -3.884 3.037 402 HG3 MET 51 3HG MET 51 -2.342 -5.379 3.208 403 HE1 MET 51 3HE MET 51 -3.783 -1.052 3.003 404 HE2 MET 51 1HE MET 51 -2.995 -1.524 4.521 405 HE3 MET 51 2HE MET 51 -2.147 -1.690 2.959 406 H LYS 52 H LYS 52 -1.036 -5.853 7.749 407 HA LYS 52 HA LYS 52 0.713 -7.856 6.779 408 HB2 LYS 52 2HB LYS 52 0.950 -6.271 8.829 409 HB3 LYS 52 3HB LYS 52 -0.022 -7.457 9.710 410 HG2 LYS 52 2HG LYS 52 1.678 -9.230 8.935 411 HG3 LYS 52 3HG LYS 52 2.656 -7.874 8.340 412 HD2 LYS 52 2HD LYS 52 2.474 -6.906 10.736 413 HD3 LYS 52 3HD LYS 52 1.767 -8.457 11.201 414 HE2 LYS 52 2HE LYS 52 4.130 -8.503 11.709 415 HE3 LYS 52 3HE LYS 52 3.824 -9.618 10.366 416 HZ1 LYS 52 3HZ LYS 52 4.660 -7.993 8.858 417 HZ2 LYS 52 1HZ LYS 52 4.756 -6.835 10.014 418 HZ3 LYS 52 2HZ LYS 52 5.772 -8.145 10.061 419 H THR 53 H THR 53 -2.270 -8.067 8.779 420 HA THR 53 HA THR 53 -2.092 -10.906 9.084 421 HB THR 53 HB THR 53 -4.500 -10.518 9.921 422 HG1 THR 53 1HG THR 53 -4.762 -8.513 8.661 423 HG21 THR 53 1HG2 THR 53 -2.218 -8.792 10.999 424 HG22 THR 53 2HG2 THR 53 -3.653 -9.299 11.913 425 HG23 THR 53 3HG2 THR 53 -2.473 -10.513 11.366 426 H ILE 54 H ILE 54 -3.781 -8.796 6.738 427 HA ILE 54 HA ILE 54 -5.369 -10.949 5.619 428 HB ILE 54 HB ILE 54 -4.648 -8.126 4.801 429 HG12 ILE 54 2HG1 ILE 54 -6.315 -8.697 6.679 430 HG13 ILE 54 3HG1 ILE 54 -6.770 -7.513 5.457 431 HG21 ILE 54 1HG2 ILE 54 -6.277 -10.071 3.150 432 HG22 ILE 54 2HG2 ILE 54 -6.320 -8.296 2.958 433 HG23 ILE 54 3HG2 ILE 54 -4.820 -9.181 2.686 434 HD11 ILE 54 3HD1 ILE 54 -8.574 -9.149 5.992 435 HD12 ILE 54 1HD1 ILE 54 -8.116 -9.127 4.279 436 HD13 ILE 54 2HD1 ILE 54 -7.541 -10.443 5.334 437 H SER 55 H SER 55 -2.134 -9.655 5.100 438 HA SER 55 HA SER 55 -1.693 -11.121 2.619 439 HB2 SER 55 2HB SER 55 -0.657 -8.891 3.424 440 HB3 SER 55 3HB SER 55 0.410 -9.878 4.431 441 HG SER 55 HG SER 55 1.296 -10.739 2.613 442 H THR 56 H THR 56 -1.025 -11.528 6.042 443 HA THR 56 HA THR 56 -0.276 -13.114 7.302 444 HB THR 56 HB THR 56 -1.708 -14.463 5.350 445 HG1 THR 56 1HG THR 56 -2.107 -15.760 7.019 446 HG21 THR 56 1HG2 THR 56 -0.687 -16.658 5.134 447 HG22 THR 56 2HG2 THR 56 0.367 -15.449 4.381 448 HG23 THR 56 3HG2 THR 56 0.773 -16.115 5.984 449 H ASP 57 H ASP 57 1.502 -12.755 4.216 450 HA ASP 57 HA ASP 57 4.009 -13.193 5.664 451 HB2 ASP 57 2HB ASP 57 3.362 -15.289 4.490 452 HB3 ASP 57 3HB ASP 57 3.177 -14.383 2.981 453 H LEU 58 H LEU 58 5.562 -11.914 4.839 454 HA LEU 58 HA LEU 58 4.811 -9.354 3.647 455 HB2 LEU 58 2HB LEU 58 7.600 -10.477 4.187 456 HB3 LEU 58 3HB LEU 58 7.208 -8.838 3.689 457 HG LEU 58 HG LEU 58 5.695 -8.888 5.915 458 HD11 LEU 58 1HD1 LEU 58 6.975 -10.046 7.730 459 HD12 LEU 58 2HD1 LEU 58 6.284 -11.204 6.590 460 HD13 LEU 58 3HD1 LEU 58 8.008 -10.801 6.505 461 HD21 LEU 58 3HD2 LEU 58 7.448 -7.250 5.411 462 HD22 LEU 58 1HD2 LEU 58 7.624 -7.823 7.076 463 HD23 LEU 58 2HD2 LEU 58 8.708 -8.437 5.809 464 H GLN 59 H GLN 59 5.978 -12.399 2.506 465 HA GLN 59 HA GLN 59 7.078 -11.637 -0.007 466 HB2 GLN 59 2HB GLN 59 7.355 -13.850 1.075 467 HB3 GLN 59 3HB GLN 59 5.622 -14.151 0.908 468 HG2 GLN 59 2HG GLN 59 6.946 -15.327 -0.826 469 HG3 GLN 59 3HG GLN 59 5.778 -14.200 -1.517 470 HE21 GLN 59 1HE2 GLN 59 6.750 -13.436 -3.424 471 HE22 GLN 59 2HE2 GLN 59 8.394 -12.808 -3.447 472 H LEU 60 H LEU 60 3.777 -12.680 1.015 473 HA LEU 60 HA LEU 60 2.560 -12.244 -1.567 474 HB2 LEU 60 2HB LEU 60 1.739 -12.913 1.266 475 HB3 LEU 60 3HB LEU 60 0.554 -12.049 0.320 476 HG LEU 60 HG LEU 60 0.584 -13.754 -1.429 477 HD11 LEU 60 1HD1 LEU 60 1.813 -15.889 -1.069 478 HD12 LEU 60 2HD1 LEU 60 2.920 -14.526 -1.274 479 HD13 LEU 60 3HD1 LEU 60 2.615 -15.181 0.350 480 HD21 LEU 60 3HD2 LEU 60 -0.448 -15.572 -0.128 481 HD22 LEU 60 1HD2 LEU 60 0.306 -14.958 1.362 482 HD23 LEU 60 2HD2 LEU 60 -0.929 -13.999 0.538 483 H ILE 61 H ILE 61 3.287 -10.131 1.207 484 HA ILE 61 HA ILE 61 1.499 -8.074 0.185 485 HB ILE 61 HB ILE 61 2.856 -8.448 2.568 486 HG12 ILE 61 2HG1 ILE 61 0.656 -7.405 2.194 487 HG13 ILE 61 3HG1 ILE 61 1.658 -6.492 3.317 488 HG21 ILE 61 1HG2 ILE 61 4.932 -7.375 1.873 489 HG22 ILE 61 2HG2 ILE 61 4.059 -5.951 1.303 490 HG23 ILE 61 3HG2 ILE 61 4.074 -6.356 3.028 491 HD11 ILE 61 3HD1 ILE 61 0.408 -5.056 1.719 492 HD12 ILE 61 1HD1 ILE 61 2.163 -4.824 1.579 493 HD13 ILE 61 2HD1 ILE 61 1.279 -5.781 0.369 494 H THR 62 H THR 62 4.828 -9.035 -0.314 495 HA THR 62 HA THR 62 5.559 -6.598 -1.744 496 HB THR 62 HB THR 62 6.906 -9.330 -1.674 497 HG1 THR 62 1HG THR 62 6.858 -8.273 0.311 498 HG21 THR 62 1HG2 THR 62 8.914 -8.054 -2.426 499 HG22 THR 62 2HG2 THR 62 7.641 -8.048 -3.661 500 HG23 THR 62 3HG2 THR 62 7.903 -6.609 -2.645 501 H GLU 63 H GLU 63 4.355 -9.870 -2.680 502 HA GLU 63 HA GLU 63 4.531 -9.170 -5.475 503 HB2 GLU 63 2HB GLU 63 4.525 -11.538 -4.795 504 HB3 GLU 63 3HB GLU 63 2.851 -11.388 -4.227 505 HG2 GLU 63 2HG GLU 63 1.984 -11.158 -6.392 506 HG3 GLU 63 3HG GLU 63 3.417 -10.322 -6.985 507 H ALA 64 H ALA 64 2.041 -8.825 -2.988 508 HA ALA 64 HA ALA 64 -0.170 -8.145 -4.651 509 HB1 ALA 64 1HB ALA 64 0.653 -7.007 -1.944 510 HB2 ALA 64 2HB ALA 64 -0.940 -6.819 -2.681 511 HB3 ALA 64 3HB ALA 64 -0.370 -8.436 -2.221 512 H LEU 65 H LEU 65 2.456 -6.064 -3.293 513 HA LEU 65 HA LEU 65 1.683 -3.679 -4.670 514 HB2 LEU 65 2HB LEU 65 4.335 -4.700 -3.590 515 HB3 LEU 65 3HB LEU 65 4.121 -3.102 -4.291 516 HG LEU 65 HG LEU 65 2.533 -4.098 -1.901 517 HD11 LEU 65 1HD1 LEU 65 5.027 -3.864 -1.525 518 HD12 LEU 65 2HD1 LEU 65 4.883 -2.147 -1.976 519 HD13 LEU 65 3HD1 LEU 65 4.030 -2.787 -0.554 520 HD21 LEU 65 3HD2 LEU 65 2.100 -1.611 -1.652 521 HD22 LEU 65 1HD2 LEU 65 2.828 -1.381 -3.252 522 HD23 LEU 65 2HD2 LEU 65 1.330 -2.321 -3.071 523 H LYS 66 H LYS 66 3.895 -6.328 -5.562 524 HA LYS 66 HA LYS 66 4.929 -5.188 -7.948 525 HB2 LYS 66 2HB LYS 66 5.737 -7.272 -6.730 526 HB3 LYS 66 3HB LYS 66 4.389 -8.138 -7.494 527 HG2 LYS 66 2HG LYS 66 5.294 -7.452 -9.741 528 HG3 LYS 66 3HG LYS 66 6.664 -6.702 -8.917 529 HD2 LYS 66 2HD LYS 66 7.726 -8.678 -8.798 530 HD3 LYS 66 3HD LYS 66 6.382 -9.417 -7.925 531 HE2 LYS 66 2HE LYS 66 6.474 -9.075 -10.954 532 HE3 LYS 66 3HE LYS 66 7.001 -10.542 -10.110 533 HZ1 LYS 66 3HZ LYS 66 4.807 -10.841 -9.263 534 HZ2 LYS 66 1HZ LYS 66 4.270 -9.438 -9.928 535 HZ3 LYS 66 2HZ LYS 66 4.720 -10.709 -10.880 536 H LYS 67 H LYS 67 1.866 -6.836 -7.360 537 HA LYS 67 HA LYS 67 1.237 -6.725 -10.261 538 HB2 LYS 67 2HB LYS 67 1.248 -8.847 -8.493 539 HB3 LYS 67 3HB LYS 67 -0.439 -8.349 -8.387 540 HG2 LYS 67 2HG LYS 67 -0.579 -8.482 -10.894 541 HG3 LYS 67 3HG LYS 67 1.129 -8.976 -10.934 542 HD2 LYS 67 2HD LYS 67 0.560 -10.951 -9.494 543 HD3 LYS 67 3HD LYS 67 -1.157 -10.479 -9.593 544 HE2 LYS 67 2HE LYS 67 -1.021 -10.592 -12.069 545 HE3 LYS 67 3HE LYS 67 0.668 -11.130 -11.954 546 HZ1 LYS 67 3HZ LYS 67 -1.644 -12.531 -10.790 547 HZ2 LYS 67 1HZ LYS 67 -1.044 -12.911 -12.218 548 HZ3 LYS 67 2HZ LYS 67 -0.100 -13.125 -10.859 549 H SER 68 H SER 68 1.007 -4.352 -8.410 550 HA SER 68 HA SER 68 -1.497 -4.208 -7.278 551 HB2 SER 68 2HB SER 68 0.447 -2.102 -8.216 552 HB3 SER 68 3HB SER 68 -1.124 -1.669 -7.490 553 HG SER 68 HG SER 68 0.812 -3.344 -6.357 554 H THR 69 H THR 69 -3.393 -3.318 -7.676 555 HA THR 69 HA THR 69 -4.321 -3.328 -10.455 556 HB THR 69 HB THR 69 -5.669 -4.644 -9.145 557 HG1 THR 69 1HG THR 69 -7.041 -3.308 -10.143 558 HG21 THR 69 1HG2 THR 69 -6.686 -4.022 -6.942 559 HG22 THR 69 2HG2 THR 69 -4.966 -4.313 -6.894 560 HG23 THR 69 3HG2 THR 69 -5.581 -2.652 -6.829 561 H ARG 70 H ARG 70 -4.974 -1.056 -7.674 562 HA ARG 70 HA ARG 70 -5.296 1.100 -9.667 563 HB2 ARG 70 2HB ARG 70 -5.792 0.834 -6.691 564 HB3 ARG 70 3HB ARG 70 -5.908 2.388 -7.517 565 HG2 ARG 70 2HG ARG 70 -8.105 1.615 -7.405 566 HG3 ARG 70 3HG ARG 70 -7.601 1.354 -9.078 567 HD2 ARG 70 2HD ARG 70 -7.563 -0.913 -8.889 568 HD3 ARG 70 3HD ARG 70 -7.234 -0.916 -7.150 569 HE ARG 70 HE ARG 70 -9.806 -0.367 -8.518 570 HH11 ARG 70 2HH2 ARG 70 -8.197 -1.830 -5.780 571 HH12 ARG 70 1HH2 ARG 70 -9.501 -1.686 -4.649 572 HH21 ARG 70 2HH1 ARG 70 -11.621 -0.071 -7.001 573 HH22 ARG 70 1HH1 ARG 70 -11.547 -0.741 -5.416 574 H LEU 71 H LEU 71 -2.671 -0.078 -7.749 575 HA LEU 71 HA LEU 71 -1.468 2.640 -7.660 576 HB2 LEU 71 2HB LEU 71 -0.693 0.321 -5.854 577 HB3 LEU 71 3HB LEU 71 -0.279 2.009 -5.728 578 HG LEU 71 HG LEU 71 -3.075 0.892 -5.273 579 HD11 LEU 71 1HD1 LEU 71 -2.598 1.277 -2.914 580 HD12 LEU 71 2HD1 LEU 71 -1.383 0.170 -3.598 581 HD13 LEU 71 3HD1 LEU 71 -0.969 1.872 -3.297 582 HD21 LEU 71 3HD2 LEU 71 -3.379 3.174 -4.194 583 HD22 LEU 71 1HD2 LEU 71 -1.814 3.635 -4.863 584 HD23 LEU 71 2HD2 LEU 71 -3.207 3.221 -5.946 585 H GLN 72 H GLN 72 1.013 2.397 -7.689 586 HA GLN 72 HA GLN 72 1.929 0.115 -9.344 587 HB2 GLN 72 2HB GLN 72 3.276 1.899 -10.635 588 HB3 GLN 72 3HB GLN 72 1.576 1.673 -11.060 589 HG2 GLN 72 2HG GLN 72 0.885 3.669 -9.984 590 HG3 GLN 72 3HG GLN 72 2.380 3.795 -9.057 591 HE21 GLN 72 1HE2 GLN 72 4.429 4.264 -10.255 592 HE22 GLN 72 2HE2 GLN 72 4.274 5.246 -11.708 593 H VAL 73 H VAL 73 3.709 -0.712 -8.422 594 HA VAL 73 HA VAL 73 5.038 0.756 -6.247 595 HB VAL 73 HB VAL 73 4.158 -1.586 -5.992 596 HG11 VAL 73 1HG1 VAL 73 5.504 -3.452 -6.836 597 HG12 VAL 73 2HG1 VAL 73 4.754 -2.560 -8.175 598 HG13 VAL 73 3HG1 VAL 73 6.484 -2.356 -7.808 599 HG21 VAL 73 3HG2 VAL 73 7.134 -1.170 -5.563 600 HG22 VAL 73 1HG2 VAL 73 5.829 -0.772 -4.441 601 HG23 VAL 73 2HG2 VAL 73 6.167 -2.458 -4.829 602 H SER 74 H SER 74 7.248 1.186 -6.317 603 HA SER 74 HA SER 74 8.508 1.324 -8.954 604 HB2 SER 74 2HB SER 74 9.046 2.939 -7.091 605 HB3 SER 74 3HB SER 74 9.878 1.592 -6.267 606 HG SER 74 HG SER 74 11.468 2.421 -7.461 607 H GLU 75 H GLU 75 10.674 0.332 -9.266 608 HA GLU 75 HA GLU 75 10.579 -2.546 -9.071 609 HB2 GLU 75 2HB GLU 75 12.754 -0.547 -9.794 610 HB3 GLU 75 3HB GLU 75 12.987 -2.307 -9.861 611 HG2 GLU 75 2HG GLU 75 11.204 -2.566 -11.483 612 HG3 GLU 75 3HG GLU 75 10.722 -0.875 -11.321 613 H ASP 76 H ASP 76 11.611 0.008 -6.861 614 HA ASP 76 HA ASP 76 13.374 -1.465 -5.222 615 HB2 ASP 76 2HB ASP 76 11.286 0.627 -4.440 616 HB3 ASP 76 3HB ASP 76 12.657 0.117 -3.451 617 H GLY 77 H GLY 77 9.797 -1.430 -5.476 618 HA2 GLY 77 2HA GLY 77 8.205 -2.654 -4.220 619 HA3 GLY 77 3HA GLY 77 9.511 -3.559 -3.466 620 H LYS 78 H LYS 78 10.552 -0.516 -2.943 621 HA LYS 78 HA LYS 78 9.219 -0.403 -0.304 622 HB2 LYS 78 2HB LYS 78 11.803 0.962 -1.132 623 HB3 LYS 78 3HB LYS 78 11.173 0.705 0.501 624 HG2 LYS 78 2HG LYS 78 11.355 -1.821 0.036 625 HG3 LYS 78 3HG LYS 78 12.225 -1.384 -1.441 626 HD2 LYS 78 2HD LYS 78 13.920 -1.824 0.090 627 HD3 LYS 78 3HD LYS 78 13.833 -0.052 0.056 628 HE2 LYS 78 2HE LYS 78 12.454 -0.082 2.127 629 HE3 LYS 78 3HE LYS 78 12.435 -1.851 2.100 630 HZ1 LYS 78 3HZ LYS 78 14.064 -1.038 3.628 631 HZ2 LYS 78 1HZ LYS 78 14.826 -1.822 2.396 632 HZ3 LYS 78 2HZ LYS 78 14.835 -0.175 2.456 633 H MET 79 H MET 79 8.526 0.957 -3.208 634 HA MET 79 HA MET 79 7.216 3.036 -1.713 635 HB2 MET 79 2HB MET 79 7.902 4.902 -3.127 636 HB3 MET 79 3HB MET 79 9.344 4.178 -2.420 637 HG2 MET 79 2HG MET 79 9.689 2.932 -4.565 638 HG3 MET 79 3HG MET 79 8.264 3.757 -5.225 639 HE1 MET 79 3HE MET 79 12.471 5.460 -4.572 640 HE2 MET 79 1HE MET 79 11.661 4.352 -3.436 641 HE3 MET 79 2HE MET 79 12.062 3.813 -5.078 642 H VAL 80 H VAL 80 5.423 4.073 -2.987 643 HA VAL 80 HA VAL 80 4.532 2.519 -5.272 644 HB VAL 80 HB VAL 80 2.621 2.696 -2.953 645 HG11 VAL 80 1HG1 VAL 80 1.639 0.733 -3.964 646 HG12 VAL 80 2HG1 VAL 80 1.932 1.931 -5.231 647 HG13 VAL 80 3HG1 VAL 80 3.021 0.545 -5.060 648 HG21 VAL 80 3HG2 VAL 80 4.553 1.622 -1.846 649 HG22 VAL 80 1HG2 VAL 80 3.180 0.550 -2.032 650 HG23 VAL 80 2HG2 VAL 80 4.574 0.393 -3.121 651 H ARG 81 H ARG 81 2.828 3.634 -6.339 652 HA ARG 81 HA ARG 81 2.070 6.308 -5.214 653 HB2 ARG 81 2HB ARG 81 3.882 6.554 -6.842 654 HB3 ARG 81 3HB ARG 81 2.977 5.661 -8.047 655 HG2 ARG 81 2HG ARG 81 3.062 8.083 -8.448 656 HG3 ARG 81 3HG ARG 81 1.427 7.447 -8.363 657 HD2 ARG 81 2HD ARG 81 1.077 8.411 -6.171 658 HD3 ARG 81 3HD ARG 81 2.803 8.680 -5.963 659 HE ARG 81 HE ARG 81 2.667 10.661 -6.989 660 HH11 ARG 81 2HH2 ARG 81 -0.192 8.838 -8.101 661 HH12 ARG 81 1HH2 ARG 81 -1.023 10.300 -8.582 662 HH21 ARG 81 2HH1 ARG 81 1.574 12.521 -7.947 663 HH22 ARG 81 1HH1 ARG 81 -0.015 12.291 -8.608 664 H ARG 82 H ARG 82 -0.095 6.695 -5.352 665 HA ARG 82 HA ARG 82 -1.808 4.718 -6.686 666 HB2 ARG 82 2HB ARG 82 -3.654 5.894 -5.710 667 HB3 ARG 82 3HB ARG 82 -2.426 5.812 -4.461 668 HG2 ARG 82 2HG ARG 82 -2.559 8.237 -6.248 669 HG3 ARG 82 3HG ARG 82 -3.737 8.038 -4.941 670 HD2 ARG 82 2HD ARG 82 -1.633 7.710 -3.459 671 HD3 ARG 82 3HD ARG 82 -0.740 8.446 -4.797 672 HE ARG 82 HE ARG 82 -2.214 9.705 -2.831 673 HH11 ARG 82 2HH2 ARG 82 -1.932 10.000 -6.361 674 HH12 ARG 82 1HH2 ARG 82 -2.159 11.677 -6.475 675 HH21 ARG 82 2HH1 ARG 82 -2.547 11.945 -2.869 676 HH22 ARG 82 1HH1 ARG 82 -2.578 12.847 -4.357 677 H LEU 83 H LEU 83 -3.847 6.019 -7.795 678 HA LEU 83 HA LEU 83 -2.679 7.387 -10.125 679 HB2 LEU 83 2HB LEU 83 -4.913 7.192 -11.079 680 HB3 LEU 83 3HB LEU 83 -4.296 5.618 -10.613 681 HG LEU 83 HG LEU 83 -6.004 7.021 -8.563 682 HD11 LEU 83 1HD1 LEU 83 -7.132 5.837 -11.130 683 HD12 LEU 83 2HD1 LEU 83 -8.071 6.370 -9.704 684 HD13 LEU 83 3HD1 LEU 83 -7.168 7.544 -10.650 685 HD21 LEU 83 3HD2 LEU 83 -5.923 4.167 -9.647 686 HD22 LEU 83 1HD2 LEU 83 -5.209 4.715 -8.123 687 HD23 LEU 83 2HD2 LEU 83 -6.955 4.745 -8.326 688 H ASP 84 H ASP 84 -3.793 9.481 -10.808 689 HA ASP 84 HA ASP 84 -4.003 11.116 -8.384 690 HB2 ASP 84 2HB ASP 84 -3.420 11.679 -11.267 691 HB3 ASP 84 3HB ASP 84 -4.140 12.975 -10.309 692 HA PRO 85 HA PRO 85 -8.360 12.044 -9.723 693 HB2 PRO 85 2HB PRO 85 -9.699 10.297 -11.393 694 HB3 PRO 85 3HB PRO 85 -8.910 11.808 -11.936 695 HG2 PRO 85 2HG PRO 85 -7.888 8.989 -12.130 696 HG3 PRO 85 3HG PRO 85 -7.749 10.308 -13.320 697 HD2 PRO 85 2HD PRO 85 -5.727 9.567 -11.595 698 HD3 PRO 85 3HD PRO 85 -5.899 11.230 -12.231 699 H LEU 86 H LEU 86 -10.299 10.951 -8.732 700 HA LEU 86 HA LEU 86 -9.332 9.333 -6.627 701 HB2 LEU 86 2HB LEU 86 -11.594 9.200 -5.818 702 HB3 LEU 86 3HB LEU 86 -11.225 10.840 -6.299 703 HG LEU 86 HG LEU 86 -12.597 9.138 -8.375 704 HD11 LEU 86 1HD1 LEU 86 -14.009 10.115 -5.862 705 HD12 LEU 86 2HD1 LEU 86 -14.793 9.444 -7.312 706 HD13 LEU 86 3HD1 LEU 86 -13.744 8.418 -6.330 707 HD21 LEU 86 3HD2 LEU 86 -13.066 11.966 -7.327 708 HD22 LEU 86 1HD2 LEU 86 -12.159 11.545 -8.798 709 HD23 LEU 86 2HD2 LEU 86 -13.888 11.212 -8.708 710 HA PRO 87 HA PRO 87 -9.771 5.268 -8.304 711 HB2 PRO 87 2HB PRO 87 -9.887 3.735 -6.037 712 HB3 PRO 87 3HB PRO 87 -8.407 4.590 -6.565 713 HG2 PRO 87 2HG PRO 87 -10.430 5.507 -4.496 714 HG3 PRO 87 3HG PRO 87 -8.642 5.462 -4.367 715 HD2 PRO 87 2HD PRO 87 -10.002 7.731 -5.052 716 HD3 PRO 87 3HD PRO 87 -8.402 7.347 -5.759 717 H GLU 88 H GLU 88 -11.725 4.954 -9.353 718 HA GLU 88 HA GLU 88 -13.885 3.853 -7.650 719 HB2 GLU 88 2HB GLU 88 -14.450 6.210 -8.254 720 HB3 GLU 88 3HB GLU 88 -14.360 5.773 -9.969 721 HG2 GLU 88 2HG GLU 88 -16.152 4.083 -9.628 722 HG3 GLU 88 3HG GLU 88 -16.177 4.447 -7.899 723 H ASN 89 H ASN 89 -13.629 1.753 -8.218 724 HA ASN 89 HA ASN 89 -13.013 -0.102 -9.401 725 HB2 ASN 89 2HB ASN 89 -15.036 1.192 -11.233 726 HB3 ASN 89 3HB ASN 89 -14.447 -0.458 -11.428 727 HD21 ASN 89 1HD2 ASN 89 -17.007 -0.664 -11.125 728 HD22 ASN 89 2HD2 ASN 89 -17.449 -1.052 -9.468 729 H ILE 90 H ILE 90 -11.026 1.888 -9.810 730 HA ILE 90 HA ILE 90 -10.444 1.638 -12.648 731 HB ILE 90 HB ILE 90 -8.897 2.684 -10.220 732 HG12 ILE 90 2HG1 ILE 90 -10.835 4.021 -11.126 733 HG13 ILE 90 3HG1 ILE 90 -9.301 4.861 -11.047 734 HG21 ILE 90 1HG2 ILE 90 -7.906 2.583 -13.100 735 HG22 ILE 90 2HG2 ILE 90 -7.209 3.621 -11.838 736 HG23 ILE 90 3HG2 ILE 90 -7.150 1.868 -11.669 737 HD11 ILE 90 3HD1 ILE 90 -10.442 3.633 -13.593 738 HD12 ILE 90 1HD1 ILE 90 -10.555 5.340 -13.130 739 HD13 ILE 90 2HD1 ILE 90 -8.971 4.627 -13.460 740 H ASP 91 H ASP 91 -8.566 0.360 -13.464 741 HA ASP 91 HA ASP 91 -7.223 -1.542 -11.809 742 HB2 ASP 91 2HB ASP 91 -9.459 -2.672 -12.351 743 HB3 ASP 91 3HB ASP 91 -9.019 -2.562 -14.058 Start of MODEL 24 1 H1 MET 1 H1 MET 1 -6.571 -19.958 -4.178 2 H2 MET 1 H2 MET 1 -7.505 -20.137 -2.824 3 H3 MET 1 H3 MET 1 -7.245 -18.666 -3.415 4 HA MET 1 HA MET 1 -5.955 -19.105 -1.441 5 HB2 MET 1 2HB MET 1 -4.793 -21.255 -3.206 6 HB3 MET 1 3HB MET 1 -3.778 -20.450 -1.992 7 HG2 MET 1 2HG MET 1 -4.763 -22.418 -0.998 8 HG3 MET 1 3HG MET 1 -5.379 -20.958 -0.227 9 HE1 MET 1 1HE MET 1 -7.417 -21.974 0.963 10 HE2 MET 1 2HE MET 1 -8.443 -23.230 0.233 11 HE3 MET 1 3HE MET 1 -6.709 -23.536 0.488 12 H SER 2 H SER 2 -3.519 -19.360 -4.117 13 HA SER 2 HA SER 2 -2.264 -17.134 -3.319 14 HB2 SER 2 2HB SER 2 -2.410 -18.153 -6.180 15 HB3 SER 2 3HB SER 2 -1.080 -17.239 -5.426 16 HG SER 2 HG SER 2 -0.486 -19.302 -5.131 17 H GLU 3 H GLU 3 -4.288 -17.019 -6.360 18 HA GLU 3 HA GLU 3 -4.052 -14.185 -6.478 19 HB2 GLU 3 2HB GLU 3 -5.594 -14.335 -8.324 20 HB3 GLU 3 3HB GLU 3 -4.500 -15.724 -8.393 21 HG2 GLU 3 2HG GLU 3 -6.368 -17.004 -7.083 22 HG3 GLU 3 3HG GLU 3 -7.420 -15.656 -7.535 23 H GLU 4 H GLU 4 -6.403 -16.225 -4.801 24 HA GLU 4 HA GLU 4 -8.358 -14.153 -4.409 25 HB2 GLU 4 2HB GLU 4 -7.642 -16.572 -2.699 26 HB3 GLU 4 3HB GLU 4 -9.018 -15.503 -2.393 27 HG2 GLU 4 2HG GLU 4 -9.952 -16.022 -4.627 28 HG3 GLU 4 3HG GLU 4 -8.582 -17.104 -4.951 29 H THR 5 H THR 5 -5.454 -15.148 -2.556 30 HA THR 5 HA THR 5 -6.032 -13.281 -0.400 31 HB THR 5 HB THR 5 -3.404 -14.659 -1.057 32 HG1 THR 5 1HG THR 5 -5.032 -16.178 -0.811 33 HG21 THR 5 1HG2 THR 5 -3.070 -14.434 1.417 34 HG22 THR 5 2HG2 THR 5 -3.209 -12.846 0.634 35 HG23 THR 5 3HG2 THR 5 -4.589 -13.528 1.521 36 H SER 6 H SER 6 -3.714 -13.397 -3.145 37 HA SER 6 HA SER 6 -2.481 -10.927 -2.641 38 HB2 SER 6 2HB SER 6 -1.734 -12.711 -4.289 39 HB3 SER 6 3HB SER 6 -2.992 -12.122 -5.396 40 HG SER 6 HG SER 6 -1.940 -10.003 -5.143 41 H THR 7 H THR 7 -5.438 -11.662 -4.554 42 HA THR 7 HA THR 7 -5.831 -8.874 -5.211 43 HB THR 7 HB THR 7 -7.783 -11.210 -5.358 44 HG1 THR 7 1HG THR 7 -6.266 -11.685 -6.757 45 HG21 THR 7 1HG2 THR 7 -7.833 -8.463 -6.687 46 HG22 THR 7 2HG2 THR 7 -8.904 -9.820 -7.100 47 HG23 THR 7 3HG2 THR 7 -9.002 -9.079 -5.494 48 H GLN 8 H GLN 8 -6.906 -10.912 -2.522 49 HA GLN 8 HA GLN 8 -8.922 -9.058 -1.579 50 HB2 GLN 8 2HB GLN 8 -7.295 -11.321 -0.370 51 HB3 GLN 8 3HB GLN 8 -8.167 -10.250 0.702 52 HG2 GLN 8 2HG GLN 8 -9.556 -11.607 -1.640 53 HG3 GLN 8 3HG GLN 8 -9.359 -12.396 -0.068 54 HE21 GLN 8 1HE2 GLN 8 -11.746 -12.429 0.038 55 HE22 GLN 8 2HE2 GLN 8 -12.567 -10.969 0.563 56 H ILE 9 H ILE 9 -5.423 -9.343 -1.280 57 HA ILE 9 HA ILE 9 -5.408 -7.314 0.837 58 HB ILE 9 HB ILE 9 -3.716 -9.349 0.396 59 HG12 ILE 9 2HG1 ILE 9 -2.986 -6.602 1.451 60 HG13 ILE 9 3HG1 ILE 9 -3.953 -7.787 2.339 61 HG21 ILE 9 1HG2 ILE 9 -2.768 -8.371 -1.726 62 HG22 ILE 9 2HG2 ILE 9 -2.150 -7.014 -0.770 63 HG23 ILE 9 3HG2 ILE 9 -1.586 -8.674 -0.478 64 HD11 ILE 9 3HD1 ILE 9 -1.033 -8.014 1.554 65 HD12 ILE 9 1HD1 ILE 9 -1.735 -7.953 3.173 66 HD13 ILE 9 2HD1 ILE 9 -2.017 -9.387 2.146 67 H LEU 10 H LEU 10 -4.882 -7.674 -2.627 68 HA LEU 10 HA LEU 10 -3.757 -5.158 -3.015 69 HB2 LEU 10 2HB LEU 10 -4.530 -7.269 -4.708 70 HB3 LEU 10 3HB LEU 10 -5.518 -5.949 -5.245 71 HG LEU 10 HG LEU 10 -2.481 -6.092 -5.002 72 HD11 LEU 10 1HD1 LEU 10 -4.542 -6.233 -7.200 73 HD12 LEU 10 2HD1 LEU 10 -2.968 -5.535 -7.560 74 HD13 LEU 10 3HD1 LEU 10 -3.079 -7.175 -6.933 75 HD21 LEU 10 3HD2 LEU 10 -4.260 -3.667 -5.193 76 HD22 LEU 10 1HD2 LEU 10 -2.726 -3.903 -4.350 77 HD23 LEU 10 2HD2 LEU 10 -2.728 -3.663 -6.067 78 H LYS 11 H LYS 11 -7.164 -6.114 -3.257 79 HA LYS 11 HA LYS 11 -8.067 -3.461 -3.867 80 HB2 LYS 11 2HB LYS 11 -10.274 -4.318 -3.613 81 HB3 LYS 11 3HB LYS 11 -9.305 -5.668 -4.224 82 HG2 LYS 11 2HG LYS 11 -9.020 -6.142 -1.596 83 HG3 LYS 11 3HG LYS 11 -10.566 -5.287 -1.521 84 HD2 LYS 11 2HD LYS 11 -9.869 -7.710 -3.231 85 HD3 LYS 11 3HD LYS 11 -10.803 -7.739 -1.712 86 HE2 LYS 11 2HE LYS 11 -12.472 -6.190 -2.739 87 HE3 LYS 11 3HE LYS 11 -11.587 -6.244 -4.254 88 HZ1 LYS 11 3HZ LYS 11 -12.052 -8.602 -4.368 89 HZ2 LYS 11 1HZ LYS 11 -12.906 -8.528 -2.949 90 HZ3 LYS 11 2HZ LYS 11 -13.425 -7.691 -4.274 91 H GLN 12 H GLN 12 -7.255 -5.111 -0.868 92 HA GLN 12 HA GLN 12 -8.459 -3.096 0.823 93 HB2 GLN 12 2HB GLN 12 -6.645 -5.443 1.287 94 HB3 GLN 12 3HB GLN 12 -7.053 -4.299 2.588 95 HG2 GLN 12 2HG GLN 12 -9.400 -4.679 2.347 96 HG3 GLN 12 3HG GLN 12 -9.208 -5.543 0.830 97 HE21 GLN 12 1HE2 GLN 12 -9.764 -7.723 1.126 98 HE22 GLN 12 2HE2 GLN 12 -9.351 -8.614 2.554 99 H VAL 13 H VAL 13 -5.355 -3.415 -0.899 100 HA VAL 13 HA VAL 13 -4.060 -1.381 0.715 101 HB VAL 13 HB VAL 13 -3.173 -3.358 -1.033 102 HG11 VAL 13 1HG1 VAL 13 -3.478 -1.932 -3.047 103 HG12 VAL 13 2HG1 VAL 13 -2.470 -0.677 -2.275 104 HG13 VAL 13 3HG1 VAL 13 -1.779 -2.253 -2.697 105 HG21 VAL 13 3HG2 VAL 13 -1.654 -0.956 0.044 106 HG22 VAL 13 1HG2 VAL 13 -2.029 -2.443 0.942 107 HG23 VAL 13 2HG2 VAL 13 -0.957 -2.514 -0.463 108 H GLU 14 H GLU 14 -5.664 -1.552 -2.500 109 HA GLU 14 HA GLU 14 -5.355 1.259 -2.912 110 HB2 GLU 14 2HB GLU 14 -6.420 0.977 -4.933 111 HB3 GLU 14 3HB GLU 14 -5.639 -0.588 -4.650 112 HG2 GLU 14 2HG GLU 14 -7.907 -1.370 -3.814 113 HG3 GLU 14 3HG GLU 14 -8.573 0.092 -4.544 114 H TYR 15 H TYR 15 -7.750 -0.657 -1.134 115 HA TYR 15 HA TYR 15 -9.790 1.252 -0.900 116 HB2 TYR 15 2HB TYR 15 -10.354 -0.887 -0.188 117 HB3 TYR 15 3HB TYR 15 -8.797 -1.125 0.599 118 HD1 TYR 15 HD2 TYR 15 -12.020 0.709 0.992 119 HD2 TYR 15 HD1 TYR 15 -8.349 -0.653 2.814 120 HE1 TYR 15 HE2 TYR 15 -12.775 1.582 3.169 121 HE2 TYR 15 HE1 TYR 15 -9.066 0.227 4.956 122 HH TYR 15 HH TYR 15 -11.764 2.387 5.284 123 H TYR 16 H TYR 16 -6.813 0.683 1.106 124 HA TYR 16 HA TYR 16 -7.324 2.775 2.959 125 HB2 TYR 16 2HB TYR 16 -4.701 1.700 1.914 126 HB3 TYR 16 3HB TYR 16 -4.836 2.861 3.219 127 HD1 TYR 16 HD1 TYR 16 -6.772 2.087 5.040 128 HD2 TYR 16 HD2 TYR 16 -4.280 -0.455 2.619 129 HE1 TYR 16 HE1 TYR 16 -6.862 0.358 6.773 130 HE2 TYR 16 HE2 TYR 16 -4.380 -2.211 4.371 131 HH TYR 16 HH TYR 16 -5.187 -1.661 7.486 132 H PHE 17 H PHE 17 -6.115 2.992 -0.363 133 HA PHE 17 HA PHE 17 -5.544 5.860 0.045 134 HB2 PHE 17 2HB PHE 17 -5.175 4.215 -2.461 135 HB3 PHE 17 3HB PHE 17 -4.402 5.741 -2.060 136 HD1 PHE 17 1HD PHE 17 -3.791 4.611 0.986 137 HD2 PHE 17 2HD PHE 17 -2.969 3.311 -3.036 138 HE1 PHE 17 1HE PHE 17 -1.928 3.226 1.810 139 HE2 PHE 17 2HE PHE 17 -1.042 1.968 -2.186 140 HZ PHE 17 HZ PHE 17 -0.568 1.881 0.234 141 H SER 18 H SER 18 -8.138 3.923 -0.981 142 HA SER 18 HA SER 18 -9.235 5.853 -2.875 143 HB2 SER 18 2HB SER 18 -9.103 3.495 -3.530 144 HB3 SER 18 3HB SER 18 -9.899 2.998 -2.030 145 HG SER 18 HG SER 18 -11.395 2.867 -3.608 146 H ASP 19 H ASP 19 -9.777 4.606 0.334 147 HA ASP 19 HA ASP 19 -12.506 5.448 0.690 148 HB2 ASP 19 2HB ASP 19 -11.306 3.467 1.651 149 HB3 ASP 19 3HB ASP 19 -10.310 4.558 2.616 150 H SER 20 H SER 20 -10.206 7.467 0.076 151 HA SER 20 HA SER 20 -9.156 9.312 0.852 152 HB2 SER 20 2HB SER 20 -12.040 9.597 1.107 153 HB3 SER 20 3HB SER 20 -11.201 10.660 2.247 154 HG SER 20 HG SER 20 -11.479 11.546 0.118 155 H ASN 21 H ASN 21 -9.032 6.934 2.743 156 HA ASN 21 HA ASN 21 -8.904 8.279 5.310 157 HB2 ASN 21 2HB ASN 21 -9.108 5.601 4.572 158 HB3 ASN 21 3HB ASN 21 -7.448 5.729 5.178 159 HD21 ASN 21 1HD2 ASN 21 -7.483 5.087 7.373 160 HD22 ASN 21 2HD2 ASN 21 -8.715 5.582 8.485 161 H PHE 22 H PHE 22 -6.662 7.793 2.623 162 HA PHE 22 HA PHE 22 -4.258 8.089 3.754 163 HB2 PHE 22 2HB PHE 22 -5.326 8.348 1.195 164 HB3 PHE 22 3HB PHE 22 -4.576 9.913 1.446 165 HD1 PHE 22 1HD PHE 22 -2.185 9.290 3.078 166 HD2 PHE 22 2HD PHE 22 -3.920 7.266 -0.309 167 HE1 PHE 22 1HE PHE 22 -0.014 8.273 2.561 168 HE2 PHE 22 2HE PHE 22 -1.741 6.251 -0.823 169 HZ PHE 22 HZ PHE 22 0.249 6.767 0.608 170 HA PRO 23 HA PRO 23 -4.358 12.826 4.155 171 HB2 PRO 23 2HB PRO 23 -6.757 14.195 4.191 172 HB3 PRO 23 3HB PRO 23 -5.772 13.921 2.720 173 HG2 PRO 23 2HG PRO 23 -8.118 12.272 3.715 174 HG3 PRO 23 3HG PRO 23 -7.856 12.938 2.068 175 HD2 PRO 23 2HD PRO 23 -7.196 10.390 2.591 176 HD3 PRO 23 3HD PRO 23 -6.097 11.415 1.634 177 H ARG 24 H ARG 24 -6.879 10.797 5.545 178 HA ARG 24 HA ARG 24 -7.138 12.426 7.957 179 HB2 ARG 24 2HB ARG 24 -8.983 11.248 6.649 180 HB3 ARG 24 3HB ARG 24 -8.373 9.716 7.286 181 HG2 ARG 24 2HG ARG 24 -8.934 10.366 9.553 182 HG3 ARG 24 3HG ARG 24 -9.238 12.049 9.052 183 HD2 ARG 24 2HD ARG 24 -11.096 11.319 7.618 184 HD3 ARG 24 3HD ARG 24 -10.817 9.625 8.080 185 HE ARG 24 HE ARG 24 -11.169 10.940 10.473 186 HH11 ARG 24 2HH2 ARG 24 -13.077 10.534 7.536 187 HH12 ARG 24 1HH2 ARG 24 -14.618 10.699 8.297 188 HH21 ARG 24 2HH1 ARG 24 -13.231 11.119 11.552 189 HH22 ARG 24 1HH1 ARG 24 -14.697 11.017 10.649 190 H ASP 25 H ASP 25 -5.290 9.626 6.914 191 HA ASP 25 HA ASP 25 -4.753 8.766 9.702 192 HB2 ASP 25 2HB ASP 25 -4.352 7.581 6.959 193 HB3 ASP 25 3HB ASP 25 -3.439 6.960 8.332 194 H LYS 26 H LYS 26 -3.271 10.237 10.457 195 HA LYS 26 HA LYS 26 -1.121 11.397 9.112 196 HB2 LYS 26 2HB LYS 26 -0.141 11.848 11.260 197 HB3 LYS 26 3HB LYS 26 -1.895 11.987 11.395 198 HG2 LYS 26 2HG LYS 26 -1.418 9.289 12.017 199 HG3 LYS 26 3HG LYS 26 -0.026 10.115 12.727 200 HD2 LYS 26 2HD LYS 26 -1.600 11.574 13.999 201 HD3 LYS 26 3HD LYS 26 -2.967 10.775 13.176 202 HE2 LYS 26 2HE LYS 26 -1.724 8.565 14.043 203 HE3 LYS 26 3HE LYS 26 -1.068 9.672 15.253 204 HZ1 LYS 26 3HZ LYS 26 -3.096 8.627 15.999 205 HZ2 LYS 26 1HZ LYS 26 -3.363 10.242 15.827 206 HZ3 LYS 26 2HZ LYS 26 -3.932 9.182 14.700 207 H PHE 27 H PHE 27 -1.373 8.116 10.217 208 HA PHE 27 HA PHE 27 1.329 7.208 10.129 209 HB2 PHE 27 2HB PHE 27 -0.655 6.028 11.052 210 HB3 PHE 27 3HB PHE 27 -1.325 5.858 9.438 211 HD1 PHE 27 2HD PHE 27 2.000 5.249 11.111 212 HD2 PHE 27 1HD PHE 27 -1.103 3.675 8.550 213 HE1 PHE 27 2HE PHE 27 3.225 3.142 10.930 214 HE2 PHE 27 1HE PHE 27 0.131 1.528 8.393 215 HZ PHE 27 HZ PHE 27 2.277 1.238 9.605 216 H LEU 28 H LEU 28 -1.246 7.171 7.634 217 HA LEU 28 HA LEU 28 0.489 6.158 5.558 218 HB2 LEU 28 2HB LEU 28 -2.165 7.650 5.470 219 HB3 LEU 28 3HB LEU 28 -1.387 6.900 4.077 220 HG LEU 28 HG LEU 28 -2.138 5.288 6.508 221 HD11 LEU 28 1HD1 LEU 28 -3.823 5.278 3.985 222 HD12 LEU 28 2HD1 LEU 28 -4.260 4.886 5.677 223 HD13 LEU 28 3HD1 LEU 28 -4.073 6.534 5.180 224 HD21 LEU 28 3HD2 LEU 28 -1.147 3.596 5.381 225 HD22 LEU 28 1HD2 LEU 28 -2.147 3.913 3.946 226 HD23 LEU 28 2HD2 LEU 28 -0.599 4.737 4.150 227 H ARG 29 H ARG 29 -0.844 9.362 6.277 228 HA ARG 29 HA ARG 29 0.400 10.827 4.288 229 HB2 ARG 29 2HB ARG 29 -0.915 11.437 6.853 230 HB3 ARG 29 3HB ARG 29 0.350 12.602 6.455 231 HG2 ARG 29 2HG ARG 29 -0.664 12.934 4.203 232 HG3 ARG 29 3HG ARG 29 -1.942 11.791 4.633 233 HD2 ARG 29 2HD ARG 29 -2.898 13.923 5.085 234 HD3 ARG 29 3HD ARG 29 -2.433 13.302 6.658 235 HE ARG 29 HE ARG 29 -0.842 14.960 6.848 236 HH11 ARG 29 2HH2 ARG 29 -1.988 14.859 3.511 237 HH12 ARG 29 1HH2 ARG 29 -1.393 16.419 3.073 238 HH21 ARG 29 2HH1 ARG 29 0.015 17.057 6.279 239 HH22 ARG 29 1HH1 ARG 29 -0.206 17.682 4.688 240 H SER 30 H SER 30 1.862 9.750 7.373 241 HA SER 30 HA SER 30 4.119 11.500 7.227 242 HB2 SER 30 2HB SER 30 3.411 10.173 9.249 243 HB3 SER 30 3HB SER 30 3.939 8.691 8.428 244 HG SER 30 HG SER 30 6.033 9.537 8.384 245 H GLU 31 H GLU 31 3.409 8.276 5.793 246 HA GLU 31 HA GLU 31 6.143 8.198 4.764 247 HB2 GLU 31 2HB GLU 31 4.289 6.259 5.409 248 HB3 GLU 31 3HB GLU 31 4.180 6.275 3.651 249 HG2 GLU 31 2HG GLU 31 5.884 4.660 4.599 250 HG3 GLU 31 3HG GLU 31 6.517 5.817 3.419 251 H ALA 32 H ALA 32 2.917 8.865 3.467 252 HA ALA 32 HA ALA 32 3.653 9.222 0.759 253 HB1 ALA 32 1HB ALA 32 1.461 10.198 2.566 254 HB2 ALA 32 2HB ALA 32 1.633 10.928 0.983 255 HB3 ALA 32 3HB ALA 32 1.397 9.181 1.100 256 H ALA 33 H ALA 33 4.032 11.360 3.543 257 HA ALA 33 HA ALA 33 4.542 13.780 2.222 258 HB1 ALA 33 1HB ALA 33 5.662 14.421 4.361 259 HB2 ALA 33 2HB ALA 33 4.077 13.669 4.607 260 HB3 ALA 33 3HB ALA 33 5.554 12.731 4.901 261 H LYS 34 H LYS 34 6.534 10.939 2.042 262 HA LYS 34 HA LYS 34 9.011 12.463 1.718 263 HB2 LYS 34 2HB LYS 34 8.171 9.603 1.745 264 HB3 LYS 34 3HB LYS 34 9.379 9.977 0.544 265 HG2 LYS 34 2HG LYS 34 10.566 9.319 2.494 266 HG3 LYS 34 3HG LYS 34 10.782 11.060 2.323 267 HD2 LYS 34 2HD LYS 34 10.414 10.597 4.644 268 HD3 LYS 34 3HD LYS 34 8.953 11.385 4.045 269 HE2 LYS 34 2HE LYS 34 7.689 9.640 4.678 270 HE3 LYS 34 3HE LYS 34 8.631 8.547 3.656 271 HZ1 LYS 34 3HZ LYS 34 8.642 7.828 5.922 272 HZ2 LYS 34 1HZ LYS 34 10.148 8.213 5.471 273 HZ3 LYS 34 2HZ LYS 34 9.283 9.246 6.449 274 H ASN 35 H ASN 35 6.316 11.435 -0.360 275 HA ASN 35 HA ASN 35 7.251 13.310 -2.360 276 HB2 ASN 35 2HB ASN 35 7.154 10.357 -3.061 277 HB3 ASN 35 3HB ASN 35 6.907 11.627 -4.259 278 HD21 ASN 35 1HD2 ASN 35 9.389 9.779 -2.758 279 HD22 ASN 35 2HD2 ASN 35 10.685 10.816 -3.338 280 H VAL 36 H VAL 36 5.248 14.050 -1.126 281 HA VAL 36 HA VAL 36 3.122 14.690 -1.175 282 HB VAL 36 HB VAL 36 3.396 13.812 -4.051 283 HG11 VAL 36 1HG1 VAL 36 1.389 15.191 -4.526 284 HG12 VAL 36 2HG1 VAL 36 1.010 13.753 -3.596 285 HG13 VAL 36 3HG1 VAL 36 1.091 15.327 -2.773 286 HG21 VAL 36 3HG2 VAL 36 4.776 15.636 -3.820 287 HG22 VAL 36 1HG2 VAL 36 3.253 16.469 -4.160 288 HG23 VAL 36 2HG2 VAL 36 3.832 16.344 -2.492 289 H ASP 37 H ASP 37 2.737 11.836 -3.180 290 HA ASP 37 HA ASP 37 1.488 10.264 -1.059 291 HB2 ASP 37 2HB ASP 37 -0.248 11.948 -2.498 292 HB3 ASP 37 3HB ASP 37 -0.458 10.404 -3.291 293 H ASN 38 H ASN 38 3.756 10.186 -2.972 294 HA ASN 38 HA ASN 38 3.106 7.920 -4.750 295 HB2 ASN 38 2HB ASN 38 5.310 10.019 -4.967 296 HB3 ASN 38 3HB ASN 38 5.043 8.706 -6.090 297 HD21 ASN 38 1HD2 ASN 38 4.001 11.905 -5.143 298 HD22 ASN 38 2HD2 ASN 38 2.807 12.073 -6.436 299 H TYR 39 H TYR 39 4.351 8.319 -1.735 300 HA TYR 39 HA TYR 39 6.386 6.226 -2.171 301 HB2 TYR 39 2HB TYR 39 7.607 8.350 -2.005 302 HB3 TYR 39 3HB TYR 39 6.782 8.729 -0.494 303 HD1 TYR 39 HD1 TYR 39 7.182 7.231 1.534 304 HD2 TYR 39 HD2 TYR 39 9.562 6.954 -2.052 305 HE1 TYR 39 HE1 TYR 39 8.966 6.047 2.798 306 HE2 TYR 39 HE2 TYR 39 11.339 5.790 -0.790 307 HH TYR 39 HH TYR 39 12.000 4.940 1.298 308 H ILE 40 H ILE 40 5.777 4.529 -0.973 309 HA ILE 40 HA ILE 40 4.572 4.997 1.654 310 HB ILE 40 HB ILE 40 3.284 2.974 -0.204 311 HG12 ILE 40 2HG1 ILE 40 2.362 5.861 0.080 312 HG13 ILE 40 3HG1 ILE 40 3.034 5.133 -1.377 313 HG21 ILE 40 1HG2 ILE 40 2.266 4.488 2.234 314 HG22 ILE 40 2HG2 ILE 40 1.453 3.140 1.408 315 HG23 ILE 40 3HG2 ILE 40 2.975 2.859 2.267 316 HD11 ILE 40 3HD1 ILE 40 1.072 3.475 -1.342 317 HD12 ILE 40 1HD1 ILE 40 0.353 4.562 -0.140 318 HD13 ILE 40 2HD1 ILE 40 0.742 5.154 -1.769 319 H SER 41 H SER 41 6.328 4.070 2.723 320 HA SER 41 HA SER 41 7.997 2.063 1.643 321 HB2 SER 41 2HB SER 41 8.699 3.541 3.479 322 HB3 SER 41 3HB SER 41 7.453 2.838 4.537 323 HG SER 41 HG SER 41 9.602 1.927 4.733 324 H ILE 42 H ILE 42 7.776 -0.120 1.607 325 HA ILE 42 HA ILE 42 5.303 -1.371 2.216 326 HB ILE 42 HB ILE 42 6.961 -2.157 0.600 327 HG12 ILE 42 2HG1 ILE 42 6.379 -4.432 2.460 328 HG13 ILE 42 3HG1 ILE 42 5.106 -3.565 1.574 329 HG21 ILE 42 1HG2 ILE 42 9.005 -1.873 2.083 330 HG22 ILE 42 2HG2 ILE 42 8.465 -3.284 3.018 331 HG23 ILE 42 3HG2 ILE 42 8.921 -3.462 1.314 332 HD11 ILE 42 3HD1 ILE 42 6.257 -3.984 -0.572 333 HD12 ILE 42 1HD1 ILE 42 7.552 -4.859 0.274 334 HD13 ILE 42 2HD1 ILE 42 5.915 -5.502 0.265 335 H ASP 43 H ASP 43 7.703 -0.236 4.426 336 HA ASP 43 HA ASP 43 7.207 -2.218 6.473 337 HB2 ASP 43 2HB ASP 43 9.114 -0.424 6.276 338 HB3 ASP 43 3HB ASP 43 7.941 0.661 7.042 339 H VAL 44 H VAL 44 5.649 0.905 5.510 340 HA VAL 44 HA VAL 44 3.875 1.027 7.735 341 HB VAL 44 HB VAL 44 4.420 2.469 5.175 342 HG11 VAL 44 1HG1 VAL 44 1.659 2.560 6.399 343 HG12 VAL 44 2HG1 VAL 44 2.335 3.764 5.274 344 HG13 VAL 44 3HG1 VAL 44 2.120 2.097 4.736 345 HG21 VAL 44 3HG2 VAL 44 3.606 3.386 7.952 346 HG22 VAL 44 1HG2 VAL 44 5.278 3.179 7.381 347 HG23 VAL 44 2HG2 VAL 44 4.227 4.401 6.647 348 H ILE 45 H ILE 45 3.570 -0.148 4.318 349 HA ILE 45 HA ILE 45 0.845 -0.962 4.773 350 HB ILE 45 HB ILE 45 2.732 -2.164 2.749 351 HG12 ILE 45 2HG1 ILE 45 0.939 -0.338 1.454 352 HG13 ILE 45 3HG1 ILE 45 1.575 0.560 2.818 353 HG21 ILE 45 1HG2 ILE 45 0.518 -3.316 3.166 354 HG22 ILE 45 2HG2 ILE 45 -0.309 -1.822 2.732 355 HG23 ILE 45 3HG2 ILE 45 0.664 -2.681 1.518 356 HD11 ILE 45 3HD1 ILE 45 3.350 -0.925 0.821 357 HD12 ILE 45 1HD1 ILE 45 2.846 0.759 0.619 358 HD13 ILE 45 2HD1 ILE 45 3.826 0.292 2.009 359 H ALA 46 H ALA 46 3.974 -2.693 5.194 360 HA ALA 46 HA ALA 46 2.700 -5.182 5.837 361 HB1 ALA 46 1HB ALA 46 5.088 -5.057 5.210 362 HB2 ALA 46 2HB ALA 46 5.433 -4.114 6.680 363 HB3 ALA 46 3HB ALA 46 4.888 -5.800 6.810 364 H SER 47 H SER 47 3.227 -2.200 7.581 365 HA SER 47 HA SER 47 2.683 -3.440 10.193 366 HB2 SER 47 2HB SER 47 4.482 -1.818 9.955 367 HB3 SER 47 3HB SER 47 3.360 -0.608 9.324 368 HG SER 47 HG SER 47 3.141 -1.782 11.900 369 H PHE 48 H PHE 48 0.720 -2.448 7.658 370 HA PHE 48 HA PHE 48 -1.205 -0.885 9.012 371 HB2 PHE 48 2HB PHE 48 -0.720 -1.845 6.408 372 HB3 PHE 48 3HB PHE 48 -2.305 -2.467 6.787 373 HD1 PHE 48 1HD PHE 48 -3.199 0.023 8.502 374 HD2 PHE 48 2HD PHE 48 -1.330 -0.513 4.642 375 HE1 PHE 48 1HE PHE 48 -4.207 2.148 7.697 376 HE2 PHE 48 2HE PHE 48 -2.351 1.581 3.853 377 HZ PHE 48 HZ PHE 48 -3.814 2.883 5.369 378 H ASN 49 H ASN 49 -0.593 -3.685 10.241 379 HA ASN 49 HA ASN 49 -1.494 -5.399 11.234 380 HB2 ASN 49 2HB ASN 49 -2.783 -3.140 12.129 381 HB3 ASN 49 3HB ASN 49 -4.160 -4.164 11.728 382 HD21 ASN 49 1HD2 ASN 49 -4.828 -5.084 13.747 383 HD22 ASN 49 2HD2 ASN 49 -3.660 -5.787 14.854 384 H ARG 50 H ARG 50 -4.501 -4.328 9.602 385 HA ARG 50 HA ARG 50 -5.514 -6.895 8.989 386 HB2 ARG 50 2HB ARG 50 -6.725 -4.694 8.826 387 HB3 ARG 50 3HB ARG 50 -5.716 -4.285 7.435 388 HG2 ARG 50 2HG ARG 50 -6.692 -6.269 6.208 389 HG3 ARG 50 3HG ARG 50 -7.787 -6.495 7.592 390 HD2 ARG 50 2HD ARG 50 -8.533 -4.096 7.279 391 HD3 ARG 50 3HD ARG 50 -7.545 -4.025 5.801 392 HE ARG 50 HE ARG 50 -9.032 -6.239 5.388 393 HH11 ARG 50 2HH2 ARG 50 -9.725 -2.829 5.876 394 HH12 ARG 50 1HH2 ARG 50 -11.223 -2.827 5.021 395 HH21 ARG 50 2HH1 ARG 50 -11.081 -6.339 4.361 396 HH22 ARG 50 1HH1 ARG 50 -12.034 -4.910 4.152 397 H MET 51 H MET 51 -3.254 -4.833 7.242 398 HA MET 51 HA MET 51 -2.873 -6.420 4.894 399 HB2 MET 51 2HB MET 51 -1.119 -4.473 6.427 400 HB3 MET 51 3HB MET 51 -0.537 -5.307 4.970 401 HG2 MET 51 2HG MET 51 -3.131 -3.762 5.012 402 HG3 MET 51 3HG MET 51 -1.585 -3.000 4.592 403 HE1 MET 51 3HE MET 51 -4.115 -3.025 2.395 404 HE2 MET 51 1HE MET 51 -4.310 -4.598 1.618 405 HE3 MET 51 2HE MET 51 -4.654 -4.441 3.347 406 H LYS 52 H LYS 52 -0.945 -6.333 7.998 407 HA LYS 52 HA LYS 52 0.727 -8.410 7.147 408 HB2 LYS 52 2HB LYS 52 1.194 -6.948 9.137 409 HB3 LYS 52 3HB LYS 52 -0.082 -7.760 10.024 410 HG2 LYS 52 2HG LYS 52 2.080 -8.680 10.673 411 HG3 LYS 52 3HG LYS 52 1.168 -9.918 9.825 412 HD2 LYS 52 2HD LYS 52 2.521 -9.154 7.698 413 HD3 LYS 52 3HD LYS 52 3.569 -8.329 8.844 414 HE2 LYS 52 2HE LYS 52 2.858 -11.308 8.789 415 HE3 LYS 52 3HE LYS 52 4.356 -10.604 8.179 416 HZ1 LYS 52 3HZ LYS 52 4.874 -9.884 10.413 417 HZ2 LYS 52 1HZ LYS 52 3.473 -10.535 10.990 418 HZ3 LYS 52 2HZ LYS 52 4.638 -11.515 10.366 419 H THR 53 H THR 53 -2.487 -8.596 8.703 420 HA THR 53 HA THR 53 -2.255 -11.426 9.160 421 HB THR 53 HB THR 53 -4.723 -11.203 9.615 422 HG1 THR 53 1HG THR 53 -4.985 -9.289 8.160 423 HG21 THR 53 1HG2 THR 53 -4.334 -9.933 11.634 424 HG22 THR 53 2HG2 THR 53 -2.791 -10.734 11.237 425 HG23 THR 53 3HG2 THR 53 -3.018 -9.015 10.870 426 H ILE 54 H ILE 54 -3.708 -9.460 6.492 427 HA ILE 54 HA ILE 54 -4.936 -11.806 5.285 428 HB ILE 54 HB ILE 54 -4.305 -9.022 4.265 429 HG12 ILE 54 2HG1 ILE 54 -6.080 -9.395 6.098 430 HG13 ILE 54 3HG1 ILE 54 -6.457 -8.390 4.701 431 HG21 ILE 54 1HG2 ILE 54 -5.818 -11.235 2.835 432 HG22 ILE 54 2HG2 ILE 54 -5.839 -9.516 2.358 433 HG23 ILE 54 3HG2 ILE 54 -4.337 -10.443 2.304 434 HD11 ILE 54 3HD1 ILE 54 -7.718 -10.162 3.675 435 HD12 ILE 54 1HD1 ILE 54 -7.187 -11.324 4.921 436 HD13 ILE 54 2HD1 ILE 54 -8.274 -9.977 5.347 437 H SER 55 H SER 55 -1.864 -10.125 5.022 438 HA SER 55 HA SER 55 -0.978 -11.649 2.667 439 HB2 SER 55 2HB SER 55 -0.111 -9.268 4.028 440 HB3 SER 55 3HB SER 55 1.192 -10.436 4.223 441 HG SER 55 HG SER 55 -0.048 -9.758 1.758 442 H THR 56 H THR 56 -0.519 -11.698 6.147 443 HA THR 56 HA THR 56 0.413 -13.112 7.571 444 HB THR 56 HB THR 56 -0.061 -15.031 5.293 445 HG1 THR 56 1HG THR 56 -1.768 -14.008 6.589 446 HG21 THR 56 1HG2 THR 56 0.230 -16.841 6.986 447 HG22 THR 56 2HG2 THR 56 1.765 -16.045 6.586 448 HG23 THR 56 3HG2 THR 56 0.929 -15.655 8.112 449 H ASP 57 H ASP 57 2.198 -12.752 4.406 450 HA ASP 57 HA ASP 57 4.675 -12.733 5.941 451 HB2 ASP 57 2HB ASP 57 4.155 -15.005 4.854 452 HB3 ASP 57 3HB ASP 57 4.287 -14.181 3.295 453 H LEU 58 H LEU 58 6.202 -11.527 4.863 454 HA LEU 58 HA LEU 58 5.311 -9.079 3.541 455 HB2 LEU 58 2HB LEU 58 8.012 -10.222 4.328 456 HB3 LEU 58 3HB LEU 58 7.892 -8.759 3.360 457 HG LEU 58 HG LEU 58 6.113 -8.617 5.697 458 HD11 LEU 58 1HD1 LEU 58 9.103 -8.902 6.209 459 HD12 LEU 58 2HD1 LEU 58 7.886 -8.374 7.390 460 HD13 LEU 58 3HD1 LEU 58 7.839 -10.027 6.749 461 HD21 LEU 58 3HD2 LEU 58 6.793 -6.699 4.262 462 HD22 LEU 58 1HD2 LEU 58 7.242 -6.445 5.961 463 HD23 LEU 58 2HD2 LEU 58 8.478 -6.918 4.783 464 H GLN 59 H GLN 59 6.285 -12.168 2.468 465 HA GLN 59 HA GLN 59 7.250 -11.525 -0.150 466 HB2 GLN 59 2HB GLN 59 7.645 -13.645 1.060 467 HB3 GLN 59 3HB GLN 59 5.923 -14.039 0.947 468 HG2 GLN 59 2HG GLN 59 6.054 -14.078 -1.515 469 HG3 GLN 59 3HG GLN 59 7.731 -13.521 -1.467 470 HE21 GLN 59 1HE2 GLN 59 9.198 -15.052 0.076 471 HE22 GLN 59 2HE2 GLN 59 8.939 -16.757 -0.271 472 H LEU 60 H LEU 60 4.028 -12.428 1.225 473 HA LEU 60 HA LEU 60 2.742 -12.184 -1.374 474 HB2 LEU 60 2HB LEU 60 2.071 -13.291 1.136 475 HB3 LEU 60 3HB LEU 60 0.952 -11.951 0.953 476 HG LEU 60 HG LEU 60 1.415 -14.015 -1.234 477 HD11 LEU 60 1HD1 LEU 60 -0.665 -14.008 0.993 478 HD12 LEU 60 2HD1 LEU 60 -0.651 -15.113 -0.407 479 HD13 LEU 60 3HD1 LEU 60 0.657 -15.170 0.787 480 HD21 LEU 60 3HD2 LEU 60 -0.799 -13.267 -2.025 481 HD22 LEU 60 1HD2 LEU 60 -0.903 -12.099 -0.689 482 HD23 LEU 60 2HD2 LEU 60 0.323 -11.901 -1.961 483 H ILE 61 H ILE 61 3.434 -10.034 1.346 484 HA ILE 61 HA ILE 61 1.699 -7.950 0.422 485 HB ILE 61 HB ILE 61 3.228 -8.408 2.703 486 HG12 ILE 61 2HG1 ILE 61 1.007 -7.377 2.519 487 HG13 ILE 61 3HG1 ILE 61 2.073 -6.515 3.617 488 HG21 ILE 61 1HG2 ILE 61 4.497 -6.394 3.182 489 HG22 ILE 61 2HG2 ILE 61 5.232 -7.219 1.808 490 HG23 ILE 61 3HG2 ILE 61 4.233 -5.774 1.554 491 HD11 ILE 61 3HD1 ILE 61 2.351 -4.689 2.105 492 HD12 ILE 61 1HD1 ILE 61 1.737 -5.620 0.723 493 HD13 ILE 61 2HD1 ILE 61 0.626 -5.137 1.998 494 H THR 62 H THR 62 5.095 -8.741 -0.248 495 HA THR 62 HA THR 62 5.453 -6.220 -1.711 496 HB THR 62 HB THR 62 7.304 -7.385 -0.458 497 HG1 THR 62 1HG THR 62 8.787 -6.697 -1.980 498 HG21 THR 62 1HG2 THR 62 8.632 -9.070 -1.602 499 HG22 THR 62 2HG2 THR 62 7.001 -9.686 -1.331 500 HG23 THR 62 3HG2 THR 62 7.477 -9.133 -2.950 501 H GLU 63 H GLU 63 4.708 -9.616 -2.497 502 HA GLU 63 HA GLU 63 4.892 -9.162 -5.337 503 HB2 GLU 63 2HB GLU 63 5.031 -11.417 -4.324 504 HB3 GLU 63 3HB GLU 63 3.329 -11.308 -3.827 505 HG2 GLU 63 2HG GLU 63 2.572 -11.235 -6.114 506 HG3 GLU 63 3HG GLU 63 4.198 -10.881 -6.714 507 H ALA 64 H ALA 64 2.285 -8.852 -2.957 508 HA ALA 64 HA ALA 64 0.141 -8.487 -4.818 509 HB1 ALA 64 1HB ALA 64 0.588 -7.283 -2.051 510 HB2 ALA 64 2HB ALA 64 -0.941 -7.226 -2.962 511 HB3 ALA 64 3HB ALA 64 -0.273 -8.792 -2.447 512 H LEU 65 H LEU 65 2.459 -6.170 -3.358 513 HA LEU 65 HA LEU 65 1.381 -3.882 -4.718 514 HB2 LEU 65 2HB LEU 65 3.961 -4.506 -3.283 515 HB3 LEU 65 3HB LEU 65 3.764 -2.988 -4.159 516 HG LEU 65 HG LEU 65 1.647 -3.882 -2.187 517 HD11 LEU 65 1HD1 LEU 65 2.726 -2.593 -0.454 518 HD12 LEU 65 2HD1 LEU 65 3.819 -3.869 -0.995 519 HD13 LEU 65 3HD1 LEU 65 4.094 -2.186 -1.527 520 HD21 LEU 65 3HD2 LEU 65 2.569 -1.145 -3.177 521 HD22 LEU 65 1HD2 LEU 65 1.104 -1.986 -3.727 522 HD23 LEU 65 2HD2 LEU 65 1.230 -1.443 -2.049 523 H LYS 66 H LYS 66 3.914 -6.239 -5.518 524 HA LYS 66 HA LYS 66 4.833 -4.943 -7.911 525 HB2 LYS 66 2HB LYS 66 5.531 -7.261 -6.447 526 HB3 LYS 66 3HB LYS 66 5.103 -7.825 -8.066 527 HG2 LYS 66 2HG LYS 66 6.668 -6.148 -9.042 528 HG3 LYS 66 3HG LYS 66 7.009 -5.522 -7.420 529 HD2 LYS 66 2HD LYS 66 8.835 -6.931 -8.052 530 HD3 LYS 66 3HD LYS 66 7.926 -7.762 -6.776 531 HE2 LYS 66 2HE LYS 66 6.773 -9.137 -8.496 532 HE3 LYS 66 3HE LYS 66 7.635 -8.263 -9.775 533 HZ1 LYS 66 3HZ LYS 66 9.701 -9.125 -8.876 534 HZ2 LYS 66 1HZ LYS 66 8.889 -9.950 -7.702 535 HZ3 LYS 66 2HZ LYS 66 8.687 -10.356 -9.281 536 H LYS 67 H LYS 67 2.023 -6.947 -7.306 537 HA LYS 67 HA LYS 67 1.362 -6.720 -10.219 538 HB2 LYS 67 2HB LYS 67 0.365 -8.615 -8.037 539 HB3 LYS 67 3HB LYS 67 -0.381 -8.449 -9.633 540 HG2 LYS 67 2HG LYS 67 2.016 -8.828 -10.568 541 HG3 LYS 67 3HG LYS 67 2.377 -9.520 -8.976 542 HD2 LYS 67 2HD LYS 67 0.819 -11.296 -9.290 543 HD3 LYS 67 3HD LYS 67 -0.090 -10.396 -10.515 544 HE2 LYS 67 2HE LYS 67 2.415 -10.512 -11.668 545 HE3 LYS 67 3HE LYS 67 2.332 -12.073 -10.839 546 HZ1 LYS 67 3HZ LYS 67 1.439 -12.154 -13.088 547 HZ2 LYS 67 1HZ LYS 67 0.248 -12.479 -11.997 548 HZ3 LYS 67 2HZ LYS 67 0.320 -11.006 -12.728 549 H SER 68 H SER 68 1.154 -4.334 -8.510 550 HA SER 68 HA SER 68 -1.372 -4.211 -7.415 551 HB2 SER 68 2HB SER 68 0.605 -2.129 -8.258 552 HB3 SER 68 3HB SER 68 -1.038 -1.639 -7.774 553 HG SER 68 HG SER 68 0.554 -3.417 -6.312 554 H THR 69 H THR 69 -3.239 -3.052 -7.932 555 HA THR 69 HA THR 69 -4.147 -3.434 -10.699 556 HB THR 69 HB THR 69 -5.764 -4.349 -9.399 557 HG1 THR 69 1HG THR 69 -7.184 -2.312 -8.645 558 HG21 THR 69 1HG2 THR 69 -5.213 -2.362 -7.156 559 HG22 THR 69 2HG2 THR 69 -6.476 -3.618 -7.145 560 HG23 THR 69 3HG2 THR 69 -4.813 -4.084 -7.241 561 H ARG 70 H ARG 70 -5.332 -0.811 -8.547 562 HA ARG 70 HA ARG 70 -5.002 0.953 -10.797 563 HB2 ARG 70 2HB ARG 70 -6.010 1.299 -7.948 564 HB3 ARG 70 3HB ARG 70 -6.106 2.590 -9.127 565 HG2 ARG 70 2HG ARG 70 -7.317 -0.102 -9.832 566 HG3 ARG 70 3HG ARG 70 -8.107 0.957 -8.687 567 HD2 ARG 70 2HD ARG 70 -9.136 1.546 -10.640 568 HD3 ARG 70 3HD ARG 70 -7.941 2.818 -10.472 569 HE ARG 70 HE ARG 70 -8.089 0.642 -12.427 570 HH11 ARG 70 2HH2 ARG 70 -5.937 3.140 -11.121 571 HH12 ARG 70 1HH2 ARG 70 -5.042 3.351 -12.574 572 HH21 ARG 70 2HH1 ARG 70 -6.900 0.903 -14.376 573 HH22 ARG 70 1HH1 ARG 70 -5.588 2.020 -14.467 574 H LEU 71 H LEU 71 -2.595 0.077 -8.743 575 HA LEU 71 HA LEU 71 -1.464 2.782 -8.393 576 HB2 LEU 71 2HB LEU 71 -0.770 0.717 -6.358 577 HB3 LEU 71 3HB LEU 71 -1.099 2.403 -6.179 578 HG LEU 71 HG LEU 71 -3.358 0.400 -6.572 579 HD11 LEU 71 1HD1 LEU 71 -2.012 1.369 -4.051 580 HD12 LEU 71 2HD1 LEU 71 -3.556 0.488 -4.113 581 HD13 LEU 71 3HD1 LEU 71 -2.065 -0.293 -4.669 582 HD21 LEU 71 3HD2 LEU 71 -4.720 2.173 -5.632 583 HD22 LEU 71 1HD2 LEU 71 -3.302 3.154 -5.254 584 HD23 LEU 71 2HD2 LEU 71 -3.784 2.907 -6.939 585 H GLN 72 H GLN 72 1.026 2.503 -8.086 586 HA GLN 72 HA GLN 72 1.968 0.061 -9.539 587 HB2 GLN 72 2HB GLN 72 1.544 2.038 -11.104 588 HB3 GLN 72 3HB GLN 72 2.858 2.872 -10.260 589 HG2 GLN 72 2HG GLN 72 4.305 0.794 -10.788 590 HG3 GLN 72 3HG GLN 72 2.972 0.244 -11.810 591 HE21 GLN 72 1HE2 GLN 72 5.148 0.410 -13.243 592 HE22 GLN 72 2HE2 GLN 72 5.206 1.899 -14.168 593 H VAL 73 H VAL 73 3.545 -0.896 -8.340 594 HA VAL 73 HA VAL 73 4.998 0.722 -6.377 595 HB VAL 73 HB VAL 73 4.005 -1.550 -5.924 596 HG11 VAL 73 1HG1 VAL 73 5.400 -3.497 -6.481 597 HG12 VAL 73 2HG1 VAL 73 4.698 -2.738 -7.940 598 HG13 VAL 73 3HG1 VAL 73 6.409 -2.515 -7.531 599 HG21 VAL 73 3HG2 VAL 73 5.912 -2.344 -4.540 600 HG22 VAL 73 1HG2 VAL 73 6.957 -1.151 -5.311 601 HG23 VAL 73 2HG2 VAL 73 5.579 -0.629 -4.329 602 H SER 74 H SER 74 7.216 0.815 -6.337 603 HA SER 74 HA SER 74 8.774 0.802 -8.801 604 HB2 SER 74 2HB SER 74 9.248 2.285 -6.836 605 HB3 SER 74 3HB SER 74 9.635 0.841 -5.881 606 HG SER 74 HG SER 74 11.029 1.947 -8.075 607 H GLU 75 H GLU 75 10.495 -0.679 -9.268 608 HA GLU 75 HA GLU 75 9.997 -3.438 -8.688 609 HB2 GLU 75 2HB GLU 75 12.019 -1.816 -10.144 610 HB3 GLU 75 3HB GLU 75 12.650 -3.318 -9.452 611 HG2 GLU 75 2HG GLU 75 10.878 -4.625 -10.514 612 HG3 GLU 75 3HG GLU 75 10.138 -3.158 -11.169 613 H ASP 76 H ASP 76 11.505 -0.909 -6.739 614 HA ASP 76 HA ASP 76 13.230 -2.791 -5.323 615 HB2 ASP 76 2HB ASP 76 13.588 -0.272 -5.588 616 HB3 ASP 76 3HB ASP 76 12.288 -0.049 -4.407 617 H GLY 77 H GLY 77 9.839 -2.028 -5.315 618 HA2 GLY 77 2HA GLY 77 8.130 -2.734 -3.910 619 HA3 GLY 77 3HA GLY 77 9.271 -3.909 -3.240 620 H LYS 78 H LYS 78 10.109 -0.534 -3.129 621 HA LYS 78 HA LYS 78 9.357 -0.382 -0.240 622 HB2 LYS 78 2HB LYS 78 11.911 -0.243 -1.483 623 HB3 LYS 78 3HB LYS 78 11.518 1.415 -1.036 624 HG2 LYS 78 2HG LYS 78 12.597 0.545 0.871 625 HG3 LYS 78 3HG LYS 78 10.876 0.422 1.289 626 HD2 LYS 78 2HD LYS 78 10.953 -1.979 0.410 627 HD3 LYS 78 3HD LYS 78 12.706 -1.779 0.219 628 HE2 LYS 78 2HE LYS 78 12.884 -1.234 2.650 629 HE3 LYS 78 3HE LYS 78 11.138 -1.475 2.822 630 HZ1 LYS 78 3HZ LYS 78 11.468 -3.761 2.085 631 HZ2 LYS 78 1HZ LYS 78 13.095 -3.525 2.005 632 HZ3 LYS 78 2HZ LYS 78 12.320 -3.444 3.459 633 H MET 79 H MET 79 8.541 0.925 -3.290 634 HA MET 79 HA MET 79 6.967 2.790 -1.735 635 HB2 MET 79 2HB MET 79 7.541 4.774 -3.116 636 HB3 MET 79 3HB MET 79 8.904 4.232 -2.145 637 HG2 MET 79 2HG MET 79 10.169 4.073 -3.965 638 HG3 MET 79 3HG MET 79 9.071 2.902 -4.686 639 HE1 MET 79 3HE MET 79 10.188 4.143 -7.132 640 HE2 MET 79 1HE MET 79 10.114 5.909 -7.273 641 HE3 MET 79 2HE MET 79 11.046 5.164 -5.955 642 H VAL 80 H VAL 80 5.125 3.651 -2.968 643 HA VAL 80 HA VAL 80 4.655 2.517 -5.593 644 HB VAL 80 HB VAL 80 3.811 0.675 -4.310 645 HG11 VAL 80 1HG1 VAL 80 2.767 2.763 -2.412 646 HG12 VAL 80 2HG1 VAL 80 2.219 1.078 -2.343 647 HG13 VAL 80 3HG1 VAL 80 3.925 1.462 -2.067 648 HG21 VAL 80 3HG2 VAL 80 1.414 0.670 -4.557 649 HG22 VAL 80 1HG2 VAL 80 1.352 2.436 -4.633 650 HG23 VAL 80 2HG2 VAL 80 2.116 1.504 -5.940 651 H ARG 81 H ARG 81 2.975 3.602 -6.641 652 HA ARG 81 HA ARG 81 2.196 6.144 -5.256 653 HB2 ARG 81 2HB ARG 81 2.121 6.023 -8.263 654 HB3 ARG 81 3HB ARG 81 2.241 7.393 -7.165 655 HG2 ARG 81 2HG ARG 81 4.381 7.281 -8.131 656 HG3 ARG 81 3HG ARG 81 4.598 6.475 -6.569 657 HD2 ARG 81 2HD ARG 81 5.351 4.653 -7.650 658 HD3 ARG 81 3HD ARG 81 3.720 4.458 -8.334 659 HE ARG 81 HE ARG 81 4.974 6.313 -9.954 660 HH11 ARG 81 2HH2 ARG 81 5.261 2.935 -9.019 661 HH12 ARG 81 1HH2 ARG 81 6.074 2.402 -10.451 662 HH21 ARG 81 2HH1 ARG 81 5.838 5.622 -12.006 663 HH22 ARG 81 1HH1 ARG 81 6.106 3.946 -12.294 664 H ARG 82 H ARG 82 0.143 6.686 -5.158 665 HA ARG 82 HA ARG 82 -1.869 4.676 -5.878 666 HB2 ARG 82 2HB ARG 82 -3.311 6.024 -4.415 667 HB3 ARG 82 3HB ARG 82 -1.758 5.783 -3.636 668 HG2 ARG 82 2HG ARG 82 -1.661 8.014 -3.342 669 HG3 ARG 82 3HG ARG 82 -1.294 8.150 -5.050 670 HD2 ARG 82 2HD ARG 82 -3.137 9.403 -5.251 671 HD3 ARG 82 3HD ARG 82 -4.081 7.908 -5.036 672 HE ARG 82 HE ARG 82 -3.233 9.024 -2.544 673 HH11 ARG 82 2HH2 ARG 82 -5.609 9.620 -5.099 674 HH12 ARG 82 1HH2 ARG 82 -6.605 10.631 -4.119 675 HH21 ARG 82 2HH1 ARG 82 -4.294 10.425 -1.384 676 HH22 ARG 82 1HH1 ARG 82 -5.913 10.996 -1.772 677 H LEU 83 H LEU 83 -4.102 6.124 -6.488 678 HA LEU 83 HA LEU 83 -3.428 7.278 -9.105 679 HB2 LEU 83 2HB LEU 83 -6.080 7.342 -9.182 680 HB3 LEU 83 3HB LEU 83 -5.123 5.932 -9.599 681 HG LEU 83 HG LEU 83 -5.583 4.888 -7.441 682 HD11 LEU 83 1HD1 LEU 83 -5.950 6.810 -5.925 683 HD12 LEU 83 2HD1 LEU 83 -7.356 7.307 -6.880 684 HD13 LEU 83 3HD1 LEU 83 -7.382 5.783 -5.965 685 HD21 LEU 83 3HD2 LEU 83 -7.078 4.670 -9.461 686 HD22 LEU 83 1HD2 LEU 83 -7.886 4.350 -7.911 687 HD23 LEU 83 2HD2 LEU 83 -8.135 5.900 -8.751 688 H ASP 84 H ASP 84 -3.291 9.391 -9.406 689 HA ASP 84 HA ASP 84 -3.623 11.281 -7.386 690 HB2 ASP 84 2HB ASP 84 -2.467 11.264 -9.865 691 HB3 ASP 84 3HB ASP 84 -3.884 12.252 -10.203 692 HA PRO 85 HA PRO 85 -7.891 12.560 -9.059 693 HB2 PRO 85 2HB PRO 85 -9.286 10.998 -10.816 694 HB3 PRO 85 3HB PRO 85 -8.082 12.209 -11.367 695 HG2 PRO 85 2HG PRO 85 -7.661 9.231 -10.943 696 HG3 PRO 85 3HG PRO 85 -7.239 10.209 -12.386 697 HD2 PRO 85 2HD PRO 85 -5.416 9.626 -10.479 698 HD3 PRO 85 3HD PRO 85 -5.427 11.225 -11.282 699 H LEU 86 H LEU 86 -9.994 11.912 -8.159 700 HA LEU 86 HA LEU 86 -9.730 9.896 -6.136 701 HB2 LEU 86 2HB LEU 86 -11.933 11.711 -7.087 702 HB3 LEU 86 3HB LEU 86 -12.422 10.231 -6.271 703 HG LEU 86 HG LEU 86 -10.925 10.772 -4.354 704 HD11 LEU 86 1HD1 LEU 86 -10.121 13.099 -4.101 705 HD12 LEU 86 2HD1 LEU 86 -9.339 12.304 -5.475 706 HD13 LEU 86 3HD1 LEU 86 -10.653 13.470 -5.755 707 HD21 LEU 86 3HD2 LEU 86 -13.336 11.275 -4.314 708 HD22 LEU 86 1HD2 LEU 86 -12.416 12.493 -3.413 709 HD23 LEU 86 2HD2 LEU 86 -13.029 12.867 -5.042 710 HA PRO 87 HA PRO 87 -10.996 6.373 -8.545 711 HB2 PRO 87 2HB PRO 87 -11.757 4.660 -6.536 712 HB3 PRO 87 3HB PRO 87 -10.047 5.082 -6.857 713 HG2 PRO 87 2HG PRO 87 -11.881 6.191 -4.726 714 HG3 PRO 87 3HG PRO 87 -10.148 5.747 -4.648 715 HD2 PRO 87 2HD PRO 87 -11.084 8.336 -4.986 716 HD3 PRO 87 3HD PRO 87 -9.463 7.767 -5.496 717 H GLU 88 H GLU 88 -12.990 5.023 -8.889 718 HA GLU 88 HA GLU 88 -15.461 6.507 -8.140 719 HB2 GLU 88 2HB GLU 88 -14.507 6.959 -10.444 720 HB3 GLU 88 3HB GLU 88 -14.810 5.266 -10.847 721 HG2 GLU 88 2HG GLU 88 -17.234 5.610 -10.302 722 HG3 GLU 88 3HG GLU 88 -16.890 7.302 -9.918 723 H ASN 89 H ASN 89 -15.800 5.024 -6.463 724 HA ASN 89 HA ASN 89 -16.233 3.089 -5.361 725 HB2 ASN 89 2HB ASN 89 -17.761 2.536 -7.907 726 HB3 ASN 89 3HB ASN 89 -17.884 1.589 -6.428 727 HD21 ASN 89 1HD2 ASN 89 -20.095 2.071 -5.945 728 HD22 ASN 89 2HD2 ASN 89 -20.562 3.701 -5.472 729 H ILE 90 H ILE 90 -13.838 2.611 -5.660 730 HA ILE 90 HA ILE 90 -13.600 0.126 -7.264 731 HB ILE 90 HB ILE 90 -11.576 2.239 -6.469 732 HG12 ILE 90 2HG1 ILE 90 -12.949 2.624 -8.551 733 HG13 ILE 90 3HG1 ILE 90 -11.206 2.626 -8.786 734 HG21 ILE 90 1HG2 ILE 90 -10.948 -0.487 -7.654 735 HG22 ILE 90 2HG2 ILE 90 -9.825 0.892 -7.535 736 HG23 ILE 90 3HG2 ILE 90 -10.446 0.146 -6.080 737 HD11 ILE 90 3HD1 ILE 90 -12.437 1.419 -10.582 738 HD12 ILE 90 1HD1 ILE 90 -11.263 0.386 -9.757 739 HD13 ILE 90 2HD1 ILE 90 -13.000 0.233 -9.393 740 H ASP 91 H ASP 91 -13.409 -1.680 -6.106 741 HA ASP 91 HA ASP 91 -11.935 -1.992 -3.735 742 HB2 ASP 91 2HB ASP 91 -13.757 -2.757 -2.289 743 HB3 ASP 91 3HB ASP 91 -13.923 -1.053 -2.660 Start of MODEL 25 1 H1 MET 1 H1 MET 1 -3.825 -16.804 0.468 2 H2 MET 1 H2 MET 1 -2.443 -16.749 1.388 3 H3 MET 1 H3 MET 1 -2.864 -15.497 0.407 4 HA MET 1 HA MET 1 -1.190 -16.552 -0.757 5 HB2 MET 1 2HB MET 1 -1.123 -18.958 -1.085 6 HB3 MET 1 3HB MET 1 -1.245 -18.604 0.643 7 HG2 MET 1 2HG MET 1 -3.746 -18.982 0.470 8 HG3 MET 1 3HG MET 1 -3.500 -19.496 -1.203 9 HE1 MET 1 1HE MET 1 -5.075 -21.206 0.791 10 HE2 MET 1 2HE MET 1 -4.687 -21.779 -0.849 11 HE3 MET 1 3HE MET 1 -4.388 -22.831 0.554 12 H SER 2 H SER 2 -1.353 -17.517 -3.068 13 HA SER 2 HA SER 2 -2.299 -17.639 -5.090 14 HB2 SER 2 2HB SER 2 -3.799 -19.284 -3.864 15 HB3 SER 2 3HB SER 2 -5.004 -17.983 -3.746 16 HG SER 2 HG SER 2 -5.335 -19.258 -5.581 17 H GLU 3 H GLU 3 -4.218 -16.669 -6.490 18 HA GLU 3 HA GLU 3 -3.933 -13.792 -6.194 19 HB2 GLU 3 2HB GLU 3 -5.252 -15.551 -8.258 20 HB3 GLU 3 3HB GLU 3 -5.472 -13.780 -8.252 21 HG2 GLU 3 2HG GLU 3 -3.011 -13.463 -8.146 22 HG3 GLU 3 3HG GLU 3 -2.772 -15.210 -8.215 23 H GLU 4 H GLU 4 -6.239 -16.088 -4.974 24 HA GLU 4 HA GLU 4 -8.392 -14.256 -4.502 25 HB2 GLU 4 2HB GLU 4 -7.305 -16.628 -2.930 26 HB3 GLU 4 3HB GLU 4 -8.761 -15.741 -2.448 27 HG2 GLU 4 2HG GLU 4 -9.924 -16.317 -4.467 28 HG3 GLU 4 3HG GLU 4 -8.456 -16.937 -5.232 29 H THR 5 H THR 5 -5.568 -15.076 -2.298 30 HA THR 5 HA THR 5 -6.450 -12.954 -0.523 31 HB THR 5 HB THR 5 -3.744 -14.295 -0.699 32 HG1 THR 5 1HG THR 5 -6.161 -15.046 0.538 33 HG21 THR 5 1HG2 THR 5 -3.632 -13.756 1.733 34 HG22 THR 5 2HG2 THR 5 -3.728 -12.293 0.741 35 HG23 THR 5 3HG2 THR 5 -5.171 -12.883 1.591 36 H SER 6 H SER 6 -3.892 -13.258 -3.077 37 HA SER 6 HA SER 6 -2.718 -10.763 -2.549 38 HB2 SER 6 2HB SER 6 -2.944 -12.454 -5.041 39 HB3 SER 6 3HB SER 6 -2.009 -10.935 -5.004 40 HG SER 6 HG SER 6 -0.632 -12.626 -4.456 41 H THR 7 H THR 7 -5.601 -11.486 -4.589 42 HA THR 7 HA THR 7 -5.831 -8.669 -5.259 43 HB THR 7 HB THR 7 -7.768 -10.991 -5.665 44 HG1 THR 7 1HG THR 7 -5.917 -9.716 -7.422 45 HG21 THR 7 1HG2 THR 7 -7.725 -8.209 -6.909 46 HG22 THR 7 2HG2 THR 7 -8.773 -9.555 -7.422 47 HG23 THR 7 3HG2 THR 7 -8.974 -8.852 -5.811 48 H GLN 8 H GLN 8 -7.160 -10.745 -2.683 49 HA GLN 8 HA GLN 8 -9.124 -8.787 -1.854 50 HB2 GLN 8 2HB GLN 8 -7.585 -10.981 -0.405 51 HB3 GLN 8 3HB GLN 8 -8.562 -9.820 0.463 52 HG2 GLN 8 2HG GLN 8 -10.328 -10.587 -1.526 53 HG3 GLN 8 3HG GLN 8 -9.419 -12.077 -1.283 54 HE21 GLN 8 1HE2 GLN 8 -12.213 -10.603 -0.336 55 HE22 GLN 8 2HE2 GLN 8 -12.312 -11.255 1.293 56 H ILE 9 H ILE 9 -5.646 -9.162 -1.315 57 HA ILE 9 HA ILE 9 -5.684 -7.063 0.693 58 HB ILE 9 HB ILE 9 -4.015 -9.089 0.456 59 HG12 ILE 9 2HG1 ILE 9 -2.993 -6.334 1.226 60 HG13 ILE 9 3HG1 ILE 9 -4.177 -7.218 2.207 61 HG21 ILE 9 1HG2 ILE 9 -2.389 -6.941 -0.966 62 HG22 ILE 9 2HG2 ILE 9 -1.841 -8.557 -0.472 63 HG23 ILE 9 3HG2 ILE 9 -3.028 -8.409 -1.726 64 HD11 ILE 9 3HD1 ILE 9 -2.606 -9.050 2.527 65 HD12 ILE 9 1HD1 ILE 9 -1.374 -8.206 1.552 66 HD13 ILE 9 2HD1 ILE 9 -1.905 -7.505 3.072 67 H LEU 10 H LEU 10 -4.879 -7.462 -2.730 68 HA LEU 10 HA LEU 10 -3.768 -4.887 -3.075 69 HB2 LEU 10 2HB LEU 10 -4.381 -7.068 -4.781 70 HB3 LEU 10 3HB LEU 10 -5.301 -5.767 -5.432 71 HG LEU 10 HG LEU 10 -2.302 -5.931 -4.918 72 HD11 LEU 10 1HD1 LEU 10 -2.948 -7.091 -6.852 73 HD12 LEU 10 2HD1 LEU 10 -4.124 -5.881 -7.355 74 HD13 LEU 10 3HD1 LEU 10 -2.390 -5.543 -7.455 75 HD21 LEU 10 3HD2 LEU 10 -3.981 -3.465 -5.356 76 HD22 LEU 10 1HD2 LEU 10 -2.552 -3.711 -4.355 77 HD23 LEU 10 2HD2 LEU 10 -2.362 -3.564 -6.082 78 H LYS 11 H LYS 11 -7.110 -5.978 -3.496 79 HA LYS 11 HA LYS 11 -8.237 -3.467 -4.253 80 HB2 LYS 11 2HB LYS 11 -9.401 -5.804 -2.667 81 HB3 LYS 11 3HB LYS 11 -10.368 -4.477 -3.293 82 HG2 LYS 11 2HG LYS 11 -8.742 -6.329 -5.111 83 HG3 LYS 11 3HG LYS 11 -10.412 -6.641 -4.619 84 HD2 LYS 11 2HD LYS 11 -10.922 -4.316 -5.566 85 HD3 LYS 11 3HD LYS 11 -9.311 -4.408 -6.321 86 HE2 LYS 11 2HE LYS 11 -11.306 -6.668 -6.693 87 HE3 LYS 11 3HE LYS 11 -11.521 -5.166 -7.593 88 HZ1 LYS 11 3HZ LYS 11 -9.096 -6.848 -7.784 89 HZ2 LYS 11 1HZ LYS 11 -10.250 -6.618 -8.949 90 HZ3 LYS 11 2HZ LYS 11 -9.341 -5.408 -8.526 91 H GLN 12 H GLN 12 -7.428 -4.928 -1.141 92 HA GLN 12 HA GLN 12 -8.531 -2.729 0.372 93 HB2 GLN 12 2HB GLN 12 -6.944 -5.170 1.060 94 HB3 GLN 12 3HB GLN 12 -7.257 -3.898 2.267 95 HG2 GLN 12 2HG GLN 12 -9.659 -4.091 1.942 96 HG3 GLN 12 3HG GLN 12 -9.445 -5.223 0.605 97 HE21 GLN 12 1HE2 GLN 12 -7.808 -5.192 3.860 98 HE22 GLN 12 2HE2 GLN 12 -8.477 -6.772 4.280 99 H VAL 13 H VAL 13 -5.394 -3.214 -1.156 100 HA VAL 13 HA VAL 13 -3.956 -1.275 0.474 101 HB VAL 13 HB VAL 13 -3.522 -2.543 -2.251 102 HG11 VAL 13 1HG1 VAL 13 -1.816 -0.438 -0.856 103 HG12 VAL 13 2HG1 VAL 13 -1.225 -1.475 -2.170 104 HG13 VAL 13 3HG1 VAL 13 -2.548 -0.340 -2.476 105 HG21 VAL 13 3HG2 VAL 13 -1.823 -2.686 0.263 106 HG22 VAL 13 1HG2 VAL 13 -3.021 -3.910 -0.194 107 HG23 VAL 13 2HG2 VAL 13 -1.617 -3.629 -1.227 108 H GLU 14 H GLU 14 -5.556 -1.315 -2.749 109 HA GLU 14 HA GLU 14 -5.126 1.413 -3.233 110 HB2 GLU 14 2HB GLU 14 -5.859 -0.432 -4.869 111 HB3 GLU 14 3HB GLU 14 -7.499 -0.185 -4.281 112 HG2 GLU 14 2HG GLU 14 -6.213 2.385 -4.880 113 HG3 GLU 14 3HG GLU 14 -6.015 1.301 -6.235 114 H TYR 15 H TYR 15 -7.760 -0.272 -1.546 115 HA TYR 15 HA TYR 15 -9.573 1.803 -1.203 116 HB2 TYR 15 2HB TYR 15 -10.329 -0.337 -0.667 117 HB3 TYR 15 3HB TYR 15 -8.819 -0.763 0.123 118 HD1 TYR 15 HD1 TYR 15 -8.252 -0.228 2.354 119 HD2 TYR 15 HD2 TYR 15 -12.056 0.913 0.665 120 HE1 TYR 15 HE1 TYR 15 -8.994 0.445 4.552 121 HE2 TYR 15 HE2 TYR 15 -12.868 1.520 2.910 122 HH TYR 15 HH TYR 15 -12.005 2.161 5.045 123 H TYR 16 H TYR 16 -6.570 1.065 0.700 124 HA TYR 16 HA TYR 16 -7.208 2.908 2.810 125 HB2 TYR 16 2HB TYR 16 -4.608 1.803 1.758 126 HB3 TYR 16 3HB TYR 16 -4.631 3.073 2.960 127 HD1 TYR 16 HD1 TYR 16 -6.226 2.697 5.013 128 HD2 TYR 16 HD2 TYR 16 -4.605 -0.433 2.536 129 HE1 TYR 16 HE1 TYR 16 -6.283 1.168 6.929 130 HE2 TYR 16 HE2 TYR 16 -4.671 -1.988 4.476 131 HH TYR 16 HH TYR 16 -5.002 -0.934 7.686 132 H PHE 17 H PHE 17 -5.874 3.457 -0.413 133 HA PHE 17 HA PHE 17 -5.307 6.252 0.240 134 HB2 PHE 17 2HB PHE 17 -5.296 4.928 -2.486 135 HB3 PHE 17 3HB PHE 17 -4.388 6.351 -1.969 136 HD1 PHE 17 1HD PHE 17 -3.222 5.406 0.638 137 HD2 PHE 17 2HD PHE 17 -3.666 3.323 -3.113 138 HE1 PHE 17 1HE PHE 17 -1.391 3.868 1.266 139 HE2 PHE 17 2HE PHE 17 -1.771 1.847 -2.505 140 HZ PHE 17 HZ PHE 17 -0.652 2.092 -0.302 141 H SER 18 H SER 18 -7.686 4.404 -1.600 142 HA SER 18 HA SER 18 -8.988 6.634 -2.801 143 HB2 SER 18 2HB SER 18 -8.752 4.216 -3.599 144 HB3 SER 18 3HB SER 18 -10.012 3.793 -2.432 145 HG SER 18 HG SER 18 -10.181 5.541 -4.670 146 H ASP 19 H ASP 19 -9.449 4.965 0.271 147 HA ASP 19 HA ASP 19 -12.226 5.841 0.637 148 HB2 ASP 19 2HB ASP 19 -11.246 3.628 1.418 149 HB3 ASP 19 3HB ASP 19 -10.292 4.531 2.597 150 H SER 20 H SER 20 -9.662 7.636 0.393 151 HA SER 20 HA SER 20 -8.619 9.357 1.363 152 HB2 SER 20 2HB SER 20 -11.417 9.904 2.412 153 HB3 SER 20 3HB SER 20 -10.095 11.089 2.272 154 HG SER 20 HG SER 20 -11.178 9.562 0.127 155 H ASN 21 H ASN 21 -8.475 6.847 2.863 156 HA ASN 21 HA ASN 21 -8.408 7.765 5.653 157 HB2 ASN 21 2HB ASN 21 -7.567 5.177 4.332 158 HB3 ASN 21 3HB ASN 21 -7.092 5.586 5.985 159 HD21 ASN 21 1HD2 ASN 21 -9.355 3.796 4.419 160 HD22 ASN 21 2HD2 ASN 21 -10.758 4.151 5.359 161 H PHE 22 H PHE 22 -6.233 7.949 2.821 162 HA PHE 22 HA PHE 22 -3.811 8.003 4.252 163 HB2 PHE 22 2HB PHE 22 -3.273 7.954 2.106 164 HB3 PHE 22 3HB PHE 22 -4.771 8.731 1.606 165 HD1 PHE 22 2HD PHE 22 -1.636 9.780 3.479 166 HD2 PHE 22 1HD PHE 22 -4.552 10.651 0.424 167 HE1 PHE 22 2HE PHE 22 -0.596 11.982 3.096 168 HE2 PHE 22 1HE PHE 22 -3.596 12.844 0.112 169 HZ PHE 22 HZ PHE 22 -1.558 13.561 1.430 170 HA PRO 23 HA PRO 23 -4.216 12.537 5.016 171 HB2 PRO 23 2HB PRO 23 -6.566 13.961 4.831 172 HB3 PRO 23 3HB PRO 23 -5.450 13.710 3.450 173 HG2 PRO 23 2HG PRO 23 -7.931 12.109 4.152 174 HG3 PRO 23 3HG PRO 23 -7.473 12.798 2.559 175 HD2 PRO 23 2HD PRO 23 -6.962 10.204 3.184 176 HD3 PRO 23 3HD PRO 23 -5.832 11.162 2.218 177 H ARG 24 H ARG 24 -6.794 10.345 5.953 178 HA ARG 24 HA ARG 24 -7.273 11.792 8.470 179 HB2 ARG 24 2HB ARG 24 -9.104 10.843 7.055 180 HB3 ARG 24 3HB ARG 24 -8.501 9.215 7.374 181 HG2 ARG 24 2HG ARG 24 -9.047 10.979 9.746 182 HG3 ARG 24 3HG ARG 24 -10.451 10.419 8.838 183 HD2 ARG 24 2HD ARG 24 -10.085 8.177 9.290 184 HD3 ARG 24 3HD ARG 24 -8.371 8.389 9.658 185 HE ARG 24 HE ARG 24 -9.216 9.787 11.628 186 HH11 ARG 24 2HH2 ARG 24 -10.648 6.756 10.506 187 HH12 ARG 24 1HH2 ARG 24 -11.316 6.312 12.036 188 HH21 ARG 24 2HH1 ARG 24 -10.128 9.239 13.679 189 HH22 ARG 24 1HH1 ARG 24 -10.987 7.759 13.893 190 H ASP 25 H ASP 25 -5.102 9.320 7.417 191 HA ASP 25 HA ASP 25 -4.714 8.574 10.280 192 HB2 ASP 25 2HB ASP 25 -5.489 6.703 8.878 193 HB3 ASP 25 3HB ASP 25 -4.086 6.940 7.822 194 H LYS 26 H LYS 26 -3.199 9.809 10.978 195 HA LYS 26 HA LYS 26 -1.173 11.063 9.520 196 HB2 LYS 26 2HB LYS 26 -0.199 11.735 11.562 197 HB3 LYS 26 3HB LYS 26 -1.924 11.609 11.852 198 HG2 LYS 26 2HG LYS 26 -1.006 10.643 13.750 199 HG3 LYS 26 3HG LYS 26 -1.429 9.229 12.787 200 HD2 LYS 26 2HD LYS 26 0.753 8.559 12.696 201 HD3 LYS 26 3HD LYS 26 1.306 10.171 12.198 202 HE2 LYS 26 2HE LYS 26 1.096 10.934 14.574 203 HE3 LYS 26 3HE LYS 26 0.720 9.267 15.042 204 HZ1 LYS 26 3HZ LYS 26 3.057 9.785 15.322 205 HZ2 LYS 26 1HZ LYS 26 2.879 8.615 14.181 206 HZ3 LYS 26 2HZ LYS 26 3.215 10.161 13.729 207 H PHE 27 H PHE 27 -1.274 7.730 10.492 208 HA PHE 27 HA PHE 27 1.473 6.980 10.319 209 HB2 PHE 27 2HB PHE 27 -0.475 5.622 11.142 210 HB3 PHE 27 3HB PHE 27 -1.060 5.523 9.486 211 HD1 PHE 27 1HD PHE 27 2.303 5.044 11.113 212 HD2 PHE 27 2HD PHE 27 -0.792 3.398 8.596 213 HE1 PHE 27 1HE PHE 27 3.646 3.022 10.800 214 HE2 PHE 27 2HE PHE 27 0.570 1.342 8.284 215 HZ PHE 27 HZ PHE 27 2.770 1.133 9.409 216 H LEU 28 H LEU 28 -1.154 7.050 7.865 217 HA LEU 28 HA LEU 28 0.527 6.379 5.622 218 HB2 LEU 28 2HB LEU 28 -2.142 7.774 5.911 219 HB3 LEU 28 3HB LEU 28 -1.349 7.624 4.344 220 HG LEU 28 HG LEU 28 -1.572 5.107 5.947 221 HD11 LEU 28 1HD1 LEU 28 -3.971 5.572 4.260 222 HD12 LEU 28 2HD1 LEU 28 -3.821 4.836 5.880 223 HD13 LEU 28 3HD1 LEU 28 -3.914 6.551 5.733 224 HD21 LEU 28 3HD2 LEU 28 -1.964 5.797 2.991 225 HD22 LEU 28 1HD2 LEU 28 -0.431 5.276 3.722 226 HD23 LEU 28 2HD2 LEU 28 -1.807 4.171 3.653 227 H ARG 29 H ARG 29 -0.701 9.497 6.811 228 HA ARG 29 HA ARG 29 0.602 11.164 5.007 229 HB2 ARG 29 2HB ARG 29 0.110 11.750 7.937 230 HB3 ARG 29 3HB ARG 29 0.594 12.945 6.726 231 HG2 ARG 29 2HG ARG 29 -1.456 12.531 5.430 232 HG3 ARG 29 3HG ARG 29 -1.932 11.280 6.590 233 HD2 ARG 29 2HD ARG 29 -3.171 13.256 7.067 234 HD3 ARG 29 3HD ARG 29 -2.064 12.973 8.395 235 HE ARG 29 HE ARG 29 -2.098 15.142 6.418 236 HH11 ARG 29 2HH2 ARG 29 -0.233 13.637 9.002 237 HH12 ARG 29 1HH2 ARG 29 0.657 15.058 9.421 238 HH21 ARG 29 2HH1 ARG 29 -0.937 17.070 6.960 239 HH22 ARG 29 1HH1 ARG 29 0.243 17.057 8.216 240 H SER 30 H SER 30 2.063 9.530 7.827 241 HA SER 30 HA SER 30 4.417 11.146 7.875 242 HB2 SER 30 2HB SER 30 3.497 9.382 9.584 243 HB3 SER 30 3HB SER 30 4.305 8.175 8.573 244 HG SER 30 HG SER 30 5.582 10.457 9.697 245 H GLU 31 H GLU 31 3.572 8.164 6.047 246 HA GLU 31 HA GLU 31 6.273 8.015 4.916 247 HB2 GLU 31 2HB GLU 31 4.513 6.146 5.441 248 HB3 GLU 31 3HB GLU 31 3.827 6.563 3.877 249 HG2 GLU 31 2HG GLU 31 5.348 4.716 3.649 250 HG3 GLU 31 3HG GLU 31 6.046 6.121 2.816 251 H ALA 32 H ALA 32 3.018 9.001 3.885 252 HA ALA 32 HA ALA 32 3.537 9.624 1.190 253 HB1 ALA 32 1HB ALA 32 1.297 9.411 2.157 254 HB2 ALA 32 2HB ALA 32 1.617 10.781 3.244 255 HB3 ALA 32 3HB ALA 32 1.468 11.048 1.516 256 H ALA 33 H ALA 33 4.205 11.415 4.188 257 HA ALA 33 HA ALA 33 4.806 13.928 2.976 258 HB1 ALA 33 1HB ALA 33 5.850 14.409 5.216 259 HB2 ALA 33 2HB ALA 33 4.187 13.816 5.300 260 HB3 ALA 33 3HB ALA 33 5.531 12.721 5.684 261 H LYS 34 H LYS 34 6.582 11.074 2.447 262 HA LYS 34 HA LYS 34 9.160 12.504 2.250 263 HB2 LYS 34 2HB LYS 34 8.132 9.693 1.837 264 HB3 LYS 34 3HB LYS 34 9.436 10.227 0.826 265 HG2 LYS 34 2HG LYS 34 10.314 9.068 2.734 266 HG3 LYS 34 3HG LYS 34 10.839 10.744 2.778 267 HD2 LYS 34 2HD LYS 34 8.387 9.806 4.324 268 HD3 LYS 34 3HD LYS 34 10.002 9.537 4.964 269 HE2 LYS 34 2HE LYS 34 8.864 12.274 4.253 270 HE3 LYS 34 3HE LYS 34 8.929 11.577 5.873 271 HZ1 LYS 34 3HZ LYS 34 11.271 12.182 4.184 272 HZ2 LYS 34 1HZ LYS 34 10.772 13.049 5.486 273 HZ3 LYS 34 2HZ LYS 34 11.331 11.512 5.686 274 H ASN 35 H ASN 35 6.248 11.875 0.324 275 HA ASN 35 HA ASN 35 7.267 13.690 -1.717 276 HB2 ASN 35 2HB ASN 35 8.035 11.150 -2.130 277 HB3 ASN 35 3HB ASN 35 6.397 11.021 -2.776 278 HD21 ASN 35 1HD2 ASN 35 9.631 12.224 -3.252 279 HD22 ASN 35 2HD2 ASN 35 9.339 12.896 -4.852 280 H VAL 36 H VAL 36 5.223 14.360 -0.195 281 HA VAL 36 HA VAL 36 3.100 15.084 -0.220 282 HB VAL 36 HB VAL 36 3.517 14.577 -3.157 283 HG11 VAL 36 1HG1 VAL 36 1.218 14.018 -3.031 284 HG12 VAL 36 2HG1 VAL 36 0.880 15.354 -1.893 285 HG13 VAL 36 3HG1 VAL 36 1.328 15.683 -3.589 286 HG21 VAL 36 3HG2 VAL 36 2.899 17.044 -1.496 287 HG22 VAL 36 1HG2 VAL 36 4.517 16.531 -2.036 288 HG23 VAL 36 2HG2 VAL 36 3.295 17.000 -3.228 289 H ASP 37 H ASP 37 2.688 12.382 -2.420 290 HA ASP 37 HA ASP 37 1.823 10.461 -0.465 291 HB2 ASP 37 2HB ASP 37 -0.245 11.853 -0.527 292 HB3 ASP 37 3HB ASP 37 -0.377 11.568 -2.259 293 H ASN 38 H ASN 38 3.736 10.747 -2.666 294 HA ASN 38 HA ASN 38 2.677 8.754 -4.596 295 HB2 ASN 38 2HB ASN 38 4.470 11.138 -4.899 296 HB3 ASN 38 3HB ASN 38 4.817 9.720 -5.887 297 HD21 ASN 38 1HD2 ASN 38 3.680 9.505 -7.789 298 HD22 ASN 38 2HD2 ASN 38 2.144 10.314 -8.081 299 H TYR 39 H TYR 39 4.557 8.900 -1.850 300 HA TYR 39 HA TYR 39 6.292 6.662 -2.721 301 HB2 TYR 39 2HB TYR 39 7.016 9.238 -1.289 302 HB3 TYR 39 3HB TYR 39 7.874 7.776 -0.933 303 HD1 TYR 39 HD1 TYR 39 6.781 9.263 -4.281 304 HD2 TYR 39 HD2 TYR 39 10.030 7.947 -1.774 305 HE1 TYR 39 HE1 TYR 39 8.338 9.666 -6.118 306 HE2 TYR 39 HE2 TYR 39 11.608 8.352 -3.624 307 HH TYR 39 HH TYR 39 11.847 9.045 -5.865 308 H ILE 40 H ILE 40 5.506 4.993 -1.556 309 HA ILE 40 HA ILE 40 4.753 5.396 1.270 310 HB ILE 40 HB ILE 40 3.065 3.683 -0.575 311 HG12 ILE 40 2HG1 ILE 40 2.368 6.563 0.123 312 HG13 ILE 40 3HG1 ILE 40 2.929 6.025 -1.465 313 HG21 ILE 40 1HG2 ILE 40 2.546 4.993 2.128 314 HG22 ILE 40 2HG2 ILE 40 1.447 3.884 1.280 315 HG23 ILE 40 3HG2 ILE 40 3.003 3.295 1.871 316 HD11 ILE 40 3HD1 ILE 40 0.586 6.146 -1.638 317 HD12 ILE 40 1HD1 ILE 40 0.987 4.422 -1.583 318 HD13 ILE 40 2HD1 ILE 40 0.337 5.248 -0.137 319 H SER 41 H SER 41 6.321 4.022 2.241 320 HA SER 41 HA SER 41 7.552 1.964 0.759 321 HB2 SER 41 2HB SER 41 8.674 3.326 2.519 322 HB3 SER 41 3HB SER 41 7.655 2.533 3.749 323 HG SER 41 HG SER 41 9.836 1.575 3.198 324 H ILE 42 H ILE 42 7.674 -0.213 1.184 325 HA ILE 42 HA ILE 42 5.193 -1.524 1.841 326 HB ILE 42 HB ILE 42 6.155 -3.524 1.336 327 HG12 ILE 42 2HG1 ILE 42 8.042 -3.673 2.802 328 HG13 ILE 42 3HG1 ILE 42 8.525 -4.067 1.162 329 HG21 ILE 42 1HG2 ILE 42 6.028 -1.904 -0.542 330 HG22 ILE 42 2HG2 ILE 42 7.741 -1.573 -0.369 331 HG23 ILE 42 3HG2 ILE 42 7.204 -3.208 -0.800 332 HD11 ILE 42 3HD1 ILE 42 10.231 -2.724 2.306 333 HD12 ILE 42 1HD1 ILE 42 9.582 -1.848 0.916 334 HD13 ILE 42 2HD1 ILE 42 9.078 -1.409 2.552 335 H ASP 43 H ASP 43 7.778 -0.286 3.845 336 HA ASP 43 HA ASP 43 7.416 -2.096 6.027 337 HB2 ASP 43 2HB ASP 43 8.288 0.817 5.832 338 HB3 ASP 43 3HB ASP 43 8.162 -0.026 7.379 339 H VAL 44 H VAL 44 5.718 0.957 5.105 340 HA VAL 44 HA VAL 44 4.053 1.000 7.443 341 HB VAL 44 HB VAL 44 4.526 2.554 4.951 342 HG11 VAL 44 1HG1 VAL 44 1.760 2.583 6.188 343 HG12 VAL 44 2HG1 VAL 44 2.434 3.836 5.118 344 HG13 VAL 44 3HG1 VAL 44 2.212 2.196 4.503 345 HG21 VAL 44 3HG2 VAL 44 4.402 4.378 6.533 346 HG22 VAL 44 1HG2 VAL 44 3.670 3.348 7.758 347 HG23 VAL 44 2HG2 VAL 44 5.360 3.084 7.249 348 H ILE 45 H ILE 45 3.701 -0.077 4.065 349 HA ILE 45 HA ILE 45 0.938 -0.787 4.357 350 HB ILE 45 HB ILE 45 2.929 -1.949 2.423 351 HG12 ILE 45 2HG1 ILE 45 1.228 0.527 1.837 352 HG13 ILE 45 3HG1 ILE 45 2.824 0.707 2.508 353 HG21 ILE 45 1HG2 ILE 45 0.965 -2.200 0.917 354 HG22 ILE 45 2HG2 ILE 45 0.619 -2.972 2.468 355 HG23 ILE 45 3HG2 ILE 45 -0.070 -1.389 2.109 356 HD11 ILE 45 3HD1 ILE 45 3.047 0.990 0.180 357 HD12 ILE 45 1HD1 ILE 45 3.784 -0.569 0.545 358 HD13 ILE 45 2HD1 ILE 45 2.162 -0.497 -0.175 359 H ALA 46 H ALA 46 3.966 -2.588 4.869 360 HA ALA 46 HA ALA 46 2.639 -5.103 5.352 361 HB1 ALA 46 1HB ALA 46 5.056 -5.000 4.785 362 HB2 ALA 46 2HB ALA 46 5.379 -4.083 6.272 363 HB3 ALA 46 3HB ALA 46 4.809 -5.766 6.367 364 H SER 47 H SER 47 3.470 -2.232 7.241 365 HA SER 47 HA SER 47 2.688 -3.567 9.760 366 HB2 SER 47 2HB SER 47 4.728 -2.164 9.605 367 HB3 SER 47 3HB SER 47 3.714 -0.756 9.258 368 HG SER 47 HG SER 47 2.652 -1.235 11.302 369 H PHE 48 H PHE 48 0.842 -2.401 7.328 370 HA PHE 48 HA PHE 48 -0.831 -0.547 8.631 371 HB2 PHE 48 2HB PHE 48 -0.646 -1.835 6.121 372 HB3 PHE 48 3HB PHE 48 -2.254 -2.216 6.675 373 HD1 PHE 48 2HD PHE 48 -2.680 0.542 8.177 374 HD2 PHE 48 1HD PHE 48 -1.274 -0.602 4.250 375 HE1 PHE 48 2HE PHE 48 -3.476 2.691 7.253 376 HE2 PHE 48 1HE PHE 48 -2.093 1.538 3.335 377 HZ PHE 48 HZ PHE 48 -3.246 3.134 4.816 378 H ASN 49 H ASN 49 -0.430 -3.565 9.746 379 HA ASN 49 HA ASN 49 -1.468 -5.087 10.897 380 HB2 ASN 49 2HB ASN 49 -2.412 -2.860 12.014 381 HB3 ASN 49 3HB ASN 49 -3.955 -3.520 11.457 382 HD21 ASN 49 1HD2 ASN 49 -4.905 -4.915 13.056 383 HD22 ASN 49 2HD2 ASN 49 -3.908 -5.833 14.173 384 H ARG 50 H ARG 50 -4.340 -3.655 9.260 385 HA ARG 50 HA ARG 50 -5.691 -6.049 8.740 386 HB2 ARG 50 2HB ARG 50 -6.296 -3.493 8.361 387 HB3 ARG 50 3HB ARG 50 -5.636 -3.765 6.742 388 HG2 ARG 50 2HG ARG 50 -7.348 -5.569 6.395 389 HG3 ARG 50 3HG ARG 50 -8.008 -5.173 8.001 390 HD2 ARG 50 2HD ARG 50 -8.120 -2.729 7.155 391 HD3 ARG 50 3HD ARG 50 -7.889 -3.382 5.525 392 HE ARG 50 HE ARG 50 -9.986 -4.844 6.631 393 HH11 ARG 50 2HH2 ARG 50 -9.345 -1.460 5.886 394 HH12 ARG 50 1HH2 ARG 50 -10.992 -0.970 5.761 395 HH21 ARG 50 2HH1 ARG 50 -12.238 -4.251 6.481 396 HH22 ARG 50 1HH1 ARG 50 -12.676 -2.626 6.096 397 H MET 51 H MET 51 -3.216 -4.458 6.833 398 HA MET 51 HA MET 51 -3.125 -6.199 4.558 399 HB2 MET 51 2HB MET 51 -1.041 -4.461 5.939 400 HB3 MET 51 3HB MET 51 -0.762 -5.279 4.395 401 HG2 MET 51 2HG MET 51 -2.999 -3.271 4.865 402 HG3 MET 51 3HG MET 51 -1.407 -2.865 4.228 403 HE1 MET 51 3HE MET 51 -4.838 -4.815 1.958 404 HE2 MET 51 1HE MET 51 -4.702 -4.710 3.731 405 HE3 MET 51 2HE MET 51 -4.947 -3.238 2.747 406 H LYS 52 H LYS 52 -1.061 -6.045 7.530 407 HA LYS 52 HA LYS 52 0.484 -8.291 6.905 408 HB2 LYS 52 2HB LYS 52 0.573 -6.452 8.893 409 HB3 LYS 52 3HB LYS 52 -0.149 -7.779 9.798 410 HG2 LYS 52 2HG LYS 52 1.714 -9.281 8.985 411 HG3 LYS 52 3HG LYS 52 2.435 -7.882 8.166 412 HD2 LYS 52 2HD LYS 52 2.571 -6.715 10.391 413 HD3 LYS 52 3HD LYS 52 1.980 -8.212 11.159 414 HE2 LYS 52 2HE LYS 52 3.930 -9.419 10.021 415 HE3 LYS 52 3HE LYS 52 4.528 -7.827 9.528 416 HZ1 LYS 52 3HZ LYS 52 4.497 -7.271 11.958 417 HZ2 LYS 52 1HZ LYS 52 4.247 -8.871 12.266 418 HZ3 LYS 52 2HZ LYS 52 5.622 -8.385 11.507 419 H THR 53 H THR 53 -2.722 -8.128 8.478 420 HA THR 53 HA THR 53 -2.700 -10.901 9.247 421 HB THR 53 HB THR 53 -5.165 -10.348 9.682 422 HG1 THR 53 1HG THR 53 -5.288 -8.553 8.164 423 HG21 THR 53 1HG2 THR 53 -2.989 -8.512 10.779 424 HG22 THR 53 2HG2 THR 53 -4.544 -8.858 11.569 425 HG23 THR 53 3HG2 THR 53 -3.339 -10.154 11.355 426 H ILE 54 H ILE 54 -4.128 -9.042 6.471 427 HA ILE 54 HA ILE 54 -5.560 -11.364 5.514 428 HB ILE 54 HB ILE 54 -4.730 -8.731 4.274 429 HG12 ILE 54 2HG1 ILE 54 -6.527 -8.828 6.061 430 HG13 ILE 54 3HG1 ILE 54 -6.905 -8.016 4.541 431 HG21 ILE 54 1HG2 ILE 54 -4.786 -10.199 2.373 432 HG22 ILE 54 2HG2 ILE 54 -6.308 -10.925 2.902 433 HG23 ILE 54 3HG2 ILE 54 -6.261 -9.224 2.370 434 HD11 ILE 54 3HD1 ILE 54 -8.164 -9.934 3.765 435 HD12 ILE 54 1HD1 ILE 54 -7.671 -10.877 5.193 436 HD13 ILE 54 2HD1 ILE 54 -8.743 -9.470 5.374 437 H SER 55 H SER 55 -2.332 -10.077 5.010 438 HA SER 55 HA SER 55 -1.737 -12.047 2.886 439 HB2 SER 55 2HB SER 55 -0.516 -9.576 3.919 440 HB3 SER 55 3HB SER 55 0.667 -10.875 3.793 441 HG SER 55 HG SER 55 0.553 -9.847 1.841 442 H THR 56 H THR 56 -1.120 -11.591 6.318 443 HA THR 56 HA THR 56 -0.084 -12.801 7.887 444 HB THR 56 HB THR 56 -0.912 -15.008 5.995 445 HG1 THR 56 1HG THR 56 -2.461 -13.638 7.119 446 HG21 THR 56 1HG2 THR 56 -0.774 -16.506 8.016 447 HG22 THR 56 2HG2 THR 56 0.812 -16.049 7.374 448 HG23 THR 56 3HG2 THR 56 0.179 -15.249 8.836 449 H ASP 57 H ASP 57 1.507 -12.200 4.932 450 HA ASP 57 HA ASP 57 4.066 -12.849 6.121 451 HB2 ASP 57 2HB ASP 57 3.284 -14.932 4.929 452 HB3 ASP 57 3HB ASP 57 3.168 -13.988 3.438 453 H LEU 58 H LEU 58 5.608 -11.538 5.237 454 HA LEU 58 HA LEU 58 4.765 -9.106 3.826 455 HB2 LEU 58 2HB LEU 58 7.525 -10.070 4.703 456 HB3 LEU 58 3HB LEU 58 7.237 -8.596 3.790 457 HG LEU 58 HG LEU 58 5.457 -8.242 5.863 458 HD11 LEU 58 1HD1 LEU 58 6.354 -10.245 7.058 459 HD12 LEU 58 2HD1 LEU 58 7.976 -9.520 7.024 460 HD13 LEU 58 3HD1 LEU 58 6.675 -8.740 7.945 461 HD21 LEU 58 3HD2 LEU 58 7.139 -6.632 6.726 462 HD22 LEU 58 1HD2 LEU 58 8.386 -7.399 5.720 463 HD23 LEU 58 2HD2 LEU 58 7.014 -6.567 4.960 464 H GLN 59 H GLN 59 5.876 -12.221 2.927 465 HA GLN 59 HA GLN 59 7.088 -11.548 0.413 466 HB2 GLN 59 2HB GLN 59 7.367 -13.725 1.530 467 HB3 GLN 59 3HB GLN 59 5.639 -14.064 1.328 468 HG2 GLN 59 2HG GLN 59 5.836 -14.117 -1.086 469 HG3 GLN 59 3HG GLN 59 7.478 -13.466 -1.028 470 HE21 GLN 59 1HE2 GLN 59 9.258 -14.891 -0.516 471 HE22 GLN 59 2HE2 GLN 59 8.987 -16.628 -0.472 472 H LEU 60 H LEU 60 3.787 -12.733 1.295 473 HA LEU 60 HA LEU 60 2.783 -12.263 -1.350 474 HB2 LEU 60 2HB LEU 60 1.851 -13.754 0.662 475 HB3 LEU 60 3HB LEU 60 0.974 -12.284 1.063 476 HG LEU 60 HG LEU 60 0.474 -12.383 -1.627 477 HD11 LEU 60 1HD1 LEU 60 0.735 -15.294 -0.735 478 HD12 LEU 60 2HD1 LEU 60 0.097 -14.718 -2.300 479 HD13 LEU 60 3HD1 LEU 60 1.800 -14.472 -1.891 480 HD21 LEU 60 3HD2 LEU 60 -1.661 -13.482 -1.101 481 HD22 LEU 60 1HD2 LEU 60 -1.031 -13.924 0.522 482 HD23 LEU 60 2HD2 LEU 60 -1.255 -12.219 0.070 483 H ILE 61 H ILE 61 3.066 -10.180 1.504 484 HA ILE 61 HA ILE 61 1.357 -8.097 0.457 485 HB ILE 61 HB ILE 61 2.746 -8.547 2.845 486 HG12 ILE 61 2HG1 ILE 61 0.521 -7.591 2.546 487 HG13 ILE 61 3HG1 ILE 61 1.499 -6.701 3.700 488 HG21 ILE 61 1HG2 ILE 61 3.826 -5.948 1.672 489 HG22 ILE 61 2HG2 ILE 61 3.909 -6.460 3.365 490 HG23 ILE 61 3HG2 ILE 61 4.774 -7.367 2.130 491 HD11 ILE 61 3HD1 ILE 61 1.883 -4.903 2.125 492 HD12 ILE 61 1HD1 ILE 61 1.136 -5.823 0.797 493 HD13 ILE 61 2HD1 ILE 61 0.146 -5.256 2.147 494 H THR 62 H THR 62 4.778 -8.935 0.013 495 HA THR 62 HA THR 62 5.390 -6.406 -1.329 496 HB THR 62 HB THR 62 6.924 -9.029 -1.103 497 HG1 THR 62 1HG THR 62 6.809 -7.912 0.797 498 HG21 THR 62 1HG2 THR 62 7.684 -7.865 -3.143 499 HG22 THR 62 2HG2 THR 62 7.818 -6.338 -2.235 500 HG23 THR 62 3HG2 THR 62 8.890 -7.703 -1.856 501 H GLU 63 H GLU 63 4.485 -9.727 -2.289 502 HA GLU 63 HA GLU 63 4.883 -9.187 -5.099 503 HB2 GLU 63 2HB GLU 63 4.880 -11.493 -4.154 504 HB3 GLU 63 3HB GLU 63 3.147 -11.326 -3.788 505 HG2 GLU 63 2HG GLU 63 2.684 -10.937 -6.209 506 HG3 GLU 63 3HG GLU 63 4.415 -11.030 -6.555 507 H ALA 64 H ALA 64 2.151 -8.905 -2.855 508 HA ALA 64 HA ALA 64 0.078 -8.442 -4.747 509 HB1 ALA 64 1HB ALA 64 -1.026 -7.182 -2.947 510 HB2 ALA 64 2HB ALA 64 -0.337 -8.710 -2.350 511 HB3 ALA 64 3HB ALA 64 0.486 -7.164 -2.013 512 H LEU 65 H LEU 65 2.407 -6.161 -3.234 513 HA LEU 65 HA LEU 65 1.472 -3.850 -4.669 514 HB2 LEU 65 2HB LEU 65 4.030 -4.584 -3.198 515 HB3 LEU 65 3HB LEU 65 3.879 -3.046 -4.043 516 HG LEU 65 HG LEU 65 1.850 -3.946 -1.959 517 HD11 LEU 65 1HD1 LEU 65 4.235 -3.719 -1.053 518 HD12 LEU 65 2HD1 LEU 65 4.155 -2.003 -1.550 519 HD13 LEU 65 3HD1 LEU 65 3.033 -2.653 -0.327 520 HD21 LEU 65 3HD2 LEU 65 2.619 -1.206 -3.070 521 HD22 LEU 65 1HD2 LEU 65 1.169 -2.107 -3.564 522 HD23 LEU 65 2HD2 LEU 65 1.314 -1.536 -1.907 523 H LYS 66 H LYS 66 4.002 -6.273 -5.310 524 HA LYS 66 HA LYS 66 5.132 -5.025 -7.613 525 HB2 LYS 66 2HB LYS 66 6.057 -7.033 -6.341 526 HB3 LYS 66 3HB LYS 66 4.855 -8.016 -7.206 527 HG2 LYS 66 2HG LYS 66 5.806 -7.072 -9.377 528 HG3 LYS 66 3HG LYS 66 7.092 -6.329 -8.413 529 HD2 LYS 66 2HD LYS 66 7.950 -8.507 -7.787 530 HD3 LYS 66 3HD LYS 66 6.474 -9.312 -8.356 531 HE2 LYS 66 2HE LYS 66 8.212 -9.636 -10.024 532 HE3 LYS 66 3HE LYS 66 6.924 -8.609 -10.668 533 HZ1 LYS 66 3HZ LYS 66 9.536 -7.670 -9.659 534 HZ2 LYS 66 1HZ LYS 66 9.054 -7.714 -11.232 535 HZ3 LYS 66 2HZ LYS 66 8.322 -6.686 -10.180 536 H LYS 67 H LYS 67 2.193 -6.910 -7.208 537 HA LYS 67 HA LYS 67 1.775 -6.935 -10.150 538 HB2 LYS 67 2HB LYS 67 1.712 -8.947 -8.276 539 HB3 LYS 67 3HB LYS 67 0.010 -8.507 -8.293 540 HG2 LYS 67 2HG LYS 67 -0.005 -8.853 -10.780 541 HG3 LYS 67 3HG LYS 67 1.733 -9.219 -10.712 542 HD2 LYS 67 2HD LYS 67 1.117 -11.078 -9.022 543 HD3 LYS 67 3HD LYS 67 -0.564 -10.830 -9.547 544 HE2 LYS 67 2HE LYS 67 0.218 -11.201 -11.927 545 HE3 LYS 67 3HE LYS 67 1.830 -11.577 -11.289 546 HZ1 LYS 67 3HZ LYS 67 0.565 -13.587 -11.652 547 HZ2 LYS 67 1HZ LYS 67 0.767 -13.398 -10.025 548 HZ3 LYS 67 2HZ LYS 67 -0.665 -13.055 -10.736 549 H SER 68 H SER 68 1.440 -4.427 -8.723 550 HA SER 68 HA SER 68 -0.960 -4.045 -7.527 551 HB2 SER 68 2HB SER 68 -0.577 -1.605 -8.270 552 HB3 SER 68 3HB SER 68 0.563 -2.351 -7.193 553 HG SER 68 HG SER 68 0.784 -1.746 -9.906 554 H THR 69 H THR 69 -2.898 -2.987 -8.066 555 HA THR 69 HA THR 69 -3.784 -3.197 -10.881 556 HB THR 69 HB THR 69 -5.380 -4.240 -9.652 557 HG1 THR 69 1HG THR 69 -7.055 -3.042 -9.933 558 HG21 THR 69 1HG2 THR 69 -4.610 -3.804 -7.358 559 HG22 THR 69 2HG2 THR 69 -5.316 -2.185 -7.382 560 HG23 THR 69 3HG2 THR 69 -6.337 -3.623 -7.502 561 H ARG 70 H ARG 70 -5.118 -0.797 -8.686 562 HA ARG 70 HA ARG 70 -4.573 1.248 -10.637 563 HB2 ARG 70 2HB ARG 70 -6.342 0.811 -8.343 564 HB3 ARG 70 3HB ARG 70 -5.644 2.433 -8.269 565 HG2 ARG 70 2HG ARG 70 -7.648 2.596 -9.522 566 HG3 ARG 70 3HG ARG 70 -6.308 2.752 -10.668 567 HD2 ARG 70 2HD ARG 70 -6.724 0.018 -10.697 568 HD3 ARG 70 3HD ARG 70 -8.361 0.584 -10.365 569 HE ARG 70 HE ARG 70 -7.028 0.576 -12.833 570 HH11 ARG 70 2HH2 ARG 70 -9.112 2.688 -10.932 571 HH12 ARG 70 1HH2 ARG 70 -9.576 3.718 -12.235 572 HH21 ARG 70 2HH1 ARG 70 -7.670 1.880 -14.638 573 HH22 ARG 70 1HH1 ARG 70 -8.773 3.195 -14.425 574 H LEU 71 H LEU 71 -2.232 0.064 -8.781 575 HA LEU 71 HA LEU 71 -1.012 2.674 -8.370 576 HB2 LEU 71 2HB LEU 71 0.139 1.295 -6.405 577 HB3 LEU 71 3HB LEU 71 -1.258 2.284 -6.140 578 HG LEU 71 HG LEU 71 -1.813 -0.591 -6.817 579 HD11 LEU 71 1HD1 LEU 71 -0.643 0.337 -4.183 580 HD12 LEU 71 2HD1 LEU 71 -1.442 -1.236 -4.473 581 HD13 LEU 71 3HD1 LEU 71 0.050 -0.846 -5.329 582 HD21 LEU 71 3HD2 LEU 71 -3.641 1.045 -6.311 583 HD22 LEU 71 1HD2 LEU 71 -3.556 -0.265 -5.119 584 HD23 LEU 71 2HD2 LEU 71 -2.913 1.341 -4.724 585 H GLN 72 H GLN 72 1.442 2.158 -8.047 586 HA GLN 72 HA GLN 72 2.348 -0.102 -9.685 587 HB2 GLN 72 2HB GLN 72 1.696 2.028 -11.099 588 HB3 GLN 72 3HB GLN 72 3.164 2.726 -10.412 589 HG2 GLN 72 2HG GLN 72 2.992 0.130 -12.005 590 HG3 GLN 72 3HG GLN 72 3.488 1.696 -12.663 591 HE21 GLN 72 1HE2 GLN 72 4.846 -1.165 -11.765 592 HE22 GLN 72 2HE2 GLN 72 6.273 -0.554 -10.943 593 H VAL 73 H VAL 73 3.960 -0.921 -8.462 594 HA VAL 73 HA VAL 73 5.346 0.808 -6.513 595 HB VAL 73 HB VAL 73 4.296 -1.370 -5.819 596 HG11 VAL 73 1HG1 VAL 73 6.635 -2.624 -7.323 597 HG12 VAL 73 2HG1 VAL 73 5.515 -3.435 -6.232 598 HG13 VAL 73 3HG1 VAL 73 4.919 -2.760 -7.772 599 HG21 VAL 73 3HG2 VAL 73 7.295 -1.070 -5.405 600 HG22 VAL 73 1HG2 VAL 73 6.015 -0.360 -4.409 601 HG23 VAL 73 2HG2 VAL 73 6.225 -2.108 -4.436 602 H SER 74 H SER 74 7.467 1.286 -6.689 603 HA SER 74 HA SER 74 8.899 1.038 -9.133 604 HB2 SER 74 2HB SER 74 9.403 2.686 -7.321 605 HB3 SER 74 3HB SER 74 9.927 1.344 -6.285 606 HG SER 74 HG SER 74 11.089 2.140 -8.761 607 H GLU 75 H GLU 75 10.709 -0.285 -9.638 608 HA GLU 75 HA GLU 75 10.336 -3.045 -9.112 609 HB2 GLU 75 2HB GLU 75 12.743 -1.542 -10.244 610 HB3 GLU 75 3HB GLU 75 12.540 -3.294 -10.230 611 HG2 GLU 75 2HG GLU 75 11.684 -2.995 -12.282 612 HG3 GLU 75 3HG GLU 75 10.195 -2.667 -11.410 613 H ASP 76 H ASP 76 11.821 -0.579 -7.125 614 HA ASP 76 HA ASP 76 13.657 -2.401 -5.778 615 HB2 ASP 76 2HB ASP 76 12.820 0.444 -5.551 616 HB3 ASP 76 3HB ASP 76 13.095 -0.350 -4.007 617 H GLY 77 H GLY 77 10.213 -1.743 -5.681 618 HA2 GLY 77 2HA GLY 77 8.534 -2.503 -4.222 619 HA3 GLY 77 3HA GLY 77 9.661 -3.783 -3.734 620 H LYS 78 H LYS 78 10.183 -0.323 -3.549 621 HA LYS 78 HA LYS 78 9.718 -0.279 -0.596 622 HB2 LYS 78 2HB LYS 78 12.219 0.313 -2.117 623 HB3 LYS 78 3HB LYS 78 11.809 1.451 -0.833 624 HG2 LYS 78 2HG LYS 78 11.919 -0.144 0.853 625 HG3 LYS 78 3HG LYS 78 11.608 -1.498 -0.245 626 HD2 LYS 78 2HD LYS 78 13.811 -1.303 -1.240 627 HD3 LYS 78 3HD LYS 78 14.198 0.084 -0.183 628 HE2 LYS 78 2HE LYS 78 13.924 -1.285 1.813 629 HE3 LYS 78 3HE LYS 78 13.275 -2.628 0.861 630 HZ1 LYS 78 3HZ LYS 78 15.573 -2.990 1.428 631 HZ2 LYS 78 1HZ LYS 78 15.405 -2.851 -0.206 632 HZ3 LYS 78 2HZ LYS 78 16.032 -1.603 0.664 633 H MET 79 H MET 79 8.862 1.163 -3.604 634 HA MET 79 HA MET 79 7.235 2.811 -1.856 635 HB2 MET 79 2HB MET 79 8.909 4.049 -4.119 636 HB3 MET 79 3HB MET 79 7.538 4.860 -3.371 637 HG2 MET 79 2HG MET 79 10.103 4.078 -1.948 638 HG3 MET 79 3HG MET 79 9.682 5.678 -2.520 639 HE1 MET 79 3HE MET 79 10.322 6.521 0.024 640 HE2 MET 79 1HE MET 79 9.545 5.830 1.466 641 HE3 MET 79 2HE MET 79 10.607 4.818 0.457 642 H VAL 80 H VAL 80 5.204 3.241 -2.704 643 HA VAL 80 HA VAL 80 4.708 2.397 -5.494 644 HB VAL 80 HB VAL 80 4.050 0.556 -4.034 645 HG11 VAL 80 1HG1 VAL 80 3.791 1.613 -1.897 646 HG12 VAL 80 2HG1 VAL 80 2.453 2.631 -2.489 647 HG13 VAL 80 3HG1 VAL 80 2.238 0.889 -2.314 648 HG21 VAL 80 3HG2 VAL 80 1.510 2.036 -4.757 649 HG22 VAL 80 1HG2 VAL 80 2.536 1.169 -5.938 650 HG23 VAL 80 2HG2 VAL 80 1.777 0.289 -4.615 651 H ARG 81 H ARG 81 2.934 3.421 -6.507 652 HA ARG 81 HA ARG 81 1.742 5.703 -5.049 653 HB2 ARG 81 2HB ARG 81 2.259 6.795 -7.601 654 HB3 ARG 81 3HB ARG 81 2.916 7.267 -6.060 655 HG2 ARG 81 2HG ARG 81 4.764 7.023 -7.483 656 HG3 ARG 81 3HG ARG 81 4.830 5.636 -6.417 657 HD2 ARG 81 2HD ARG 81 4.934 4.332 -8.245 658 HD3 ARG 81 3HD ARG 81 3.254 4.751 -8.579 659 HE ARG 81 HE ARG 81 5.610 6.333 -9.523 660 HH11 ARG 81 2HH2 ARG 81 2.553 4.747 -10.339 661 HH12 ARG 81 1HH2 ARG 81 2.603 5.176 -12.012 662 HH21 ARG 81 2HH1 ARG 81 5.678 6.937 -11.732 663 HH22 ARG 81 1HH1 ARG 81 4.421 6.467 -12.812 664 H ARG 82 H ARG 82 -0.263 6.398 -5.928 665 HA ARG 82 HA ARG 82 -1.449 4.631 -8.002 666 HB2 ARG 82 2HB ARG 82 -3.652 5.170 -6.805 667 HB3 ARG 82 3HB ARG 82 -2.594 3.984 -6.092 668 HG2 ARG 82 2HG ARG 82 -3.451 5.250 -4.331 669 HG3 ARG 82 3HG ARG 82 -1.764 5.697 -4.443 670 HD2 ARG 82 2HD ARG 82 -3.488 7.467 -6.041 671 HD3 ARG 82 3HD ARG 82 -4.050 7.363 -4.366 672 HE ARG 82 HE ARG 82 -1.462 7.894 -3.920 673 HH11 ARG 82 2HH2 ARG 82 -4.080 9.454 -5.657 674 HH12 ARG 82 1HH2 ARG 82 -3.368 11.028 -5.614 675 HH21 ARG 82 2HH1 ARG 82 -0.532 9.904 -3.841 676 HH22 ARG 82 1HH1 ARG 82 -1.164 11.281 -4.676 677 H LEU 83 H LEU 83 -3.136 5.621 -9.289 678 HA LEU 83 HA LEU 83 -2.961 8.562 -9.482 679 HB2 LEU 83 2HB LEU 83 -3.094 6.571 -11.792 680 HB3 LEU 83 3HB LEU 83 -3.187 8.325 -11.939 681 HG LEU 83 HG LEU 83 -0.760 6.766 -10.936 682 HD11 LEU 83 1HD1 LEU 83 -1.256 8.192 -13.582 683 HD12 LEU 83 2HD1 LEU 83 0.248 7.380 -13.090 684 HD13 LEU 83 3HD1 LEU 83 -1.230 6.432 -13.344 685 HD21 LEU 83 3HD2 LEU 83 -1.142 9.735 -11.537 686 HD22 LEU 83 1HD2 LEU 83 -0.790 9.010 -9.952 687 HD23 LEU 83 2HD2 LEU 83 0.424 8.951 -11.235 688 H ASP 84 H ASP 84 -4.998 9.358 -9.181 689 HA ASP 84 HA ASP 84 -7.060 9.131 -8.228 690 HB2 ASP 84 2HB ASP 84 -7.324 8.939 -11.224 691 HB3 ASP 84 3HB ASP 84 -8.633 9.392 -10.113 692 HA PRO 85 HA PRO 85 -7.596 4.529 -8.197 693 HB2 PRO 85 2HB PRO 85 -7.601 4.277 -5.452 694 HB3 PRO 85 3HB PRO 85 -6.101 4.294 -6.442 695 HG2 PRO 85 2HG PRO 85 -7.428 6.566 -4.937 696 HG3 PRO 85 3HG PRO 85 -5.709 6.066 -4.904 697 HD2 PRO 85 2HD PRO 85 -6.574 8.095 -6.485 698 HD3 PRO 85 3HD PRO 85 -5.335 6.947 -7.085 699 H LEU 86 H LEU 86 -9.641 3.542 -7.962 700 HA LEU 86 HA LEU 86 -11.802 5.413 -7.209 701 HB2 LEU 86 2HB LEU 86 -11.231 4.590 -9.744 702 HB3 LEU 86 3HB LEU 86 -12.322 3.288 -9.276 703 HG LEU 86 HG LEU 86 -13.145 6.090 -8.595 704 HD11 LEU 86 1HD1 LEU 86 -12.195 6.417 -10.814 705 HD12 LEU 86 2HD1 LEU 86 -13.166 5.068 -11.456 706 HD13 LEU 86 3HD1 LEU 86 -13.959 6.551 -10.868 707 HD21 LEU 86 3HD2 LEU 86 -14.667 3.776 -9.876 708 HD22 LEU 86 1HD2 LEU 86 -14.609 4.100 -8.133 709 HD23 LEU 86 2HD2 LEU 86 -15.369 5.274 -9.226 710 HA PRO 87 HA PRO 87 -12.085 2.173 -4.318 711 HB2 PRO 87 2HB PRO 87 -14.184 2.957 -2.745 712 HB3 PRO 87 3HB PRO 87 -12.628 3.838 -2.795 713 HG2 PRO 87 2HG PRO 87 -15.187 4.481 -4.285 714 HG3 PRO 87 3HG PRO 87 -14.120 5.599 -3.376 715 HD2 PRO 87 2HD PRO 87 -14.001 5.282 -6.110 716 HD3 PRO 87 3HD PRO 87 -12.565 5.683 -5.131 717 H GLU 88 H GLU 88 -12.831 0.198 -4.480 718 HA GLU 88 HA GLU 88 -14.058 -1.634 -4.794 719 HB2 GLU 88 2HB GLU 88 -15.811 -0.399 -3.481 720 HB3 GLU 88 3HB GLU 88 -16.604 -0.001 -5.017 721 HG2 GLU 88 2HG GLU 88 -17.018 -2.311 -5.507 722 HG3 GLU 88 3HG GLU 88 -15.876 -2.857 -4.273 723 H ASN 89 H ASN 89 -15.264 -2.862 -6.545 724 HA ASN 89 HA ASN 89 -14.872 -3.638 -8.652 725 HB2 ASN 89 2HB ASN 89 -15.927 -0.880 -9.310 726 HB3 ASN 89 3HB ASN 89 -15.691 -2.166 -10.494 727 HD21 ASN 89 1HD2 ASN 89 -18.267 -1.250 -10.296 728 HD22 ASN 89 2HD2 ASN 89 -19.232 -2.462 -9.458 729 H ILE 90 H ILE 90 -12.532 -2.660 -7.423 730 HA ILE 90 HA ILE 90 -11.191 -1.005 -9.373 731 HB ILE 90 HB ILE 90 -10.281 -2.647 -6.976 732 HG12 ILE 90 2HG1 ILE 90 -10.132 0.301 -6.858 733 HG13 ILE 90 3HG1 ILE 90 -11.752 -0.395 -6.827 734 HG21 ILE 90 1HG2 ILE 90 -8.180 -1.265 -6.932 735 HG22 ILE 90 2HG2 ILE 90 -8.289 -2.420 -8.262 736 HG23 ILE 90 3HG2 ILE 90 -8.598 -0.687 -8.550 737 HD11 ILE 90 3HD1 ILE 90 -9.507 -1.274 -4.964 738 HD12 ILE 90 1HD1 ILE 90 -10.775 -0.111 -4.541 739 HD13 ILE 90 2HD1 ILE 90 -11.205 -1.793 -4.913 740 H ASP 91 H ASP 91 -9.327 -1.830 -10.686 741 HA ASP 91 HA ASP 91 -9.840 -4.133 -12.159 742 HB2 ASP 91 2HB ASP 91 -7.913 -2.058 -12.149 743 HB3 ASP 91 3HB ASP 91 -6.971 -3.542 -12.044 Start of MODEL 26 1 H1 MET 1 H1 MET 1 -6.597 -18.868 -4.024 2 H2 MET 1 H2 MET 1 -7.248 -19.732 -2.793 3 H3 MET 1 H3 MET 1 -6.366 -18.372 -2.475 4 HA MET 1 HA MET 1 -5.113 -20.312 -1.963 5 HB2 MET 1 2HB MET 1 -6.193 -21.178 -4.502 6 HB3 MET 1 3HB MET 1 -4.425 -21.287 -4.544 7 HG2 MET 1 2HG MET 1 -4.320 -22.811 -2.815 8 HG3 MET 1 3HG MET 1 -5.797 -22.228 -2.047 9 HE1 MET 1 1HE MET 1 -6.526 -26.018 -2.725 10 HE2 MET 1 2HE MET 1 -4.855 -25.422 -2.608 11 HE3 MET 1 3HE MET 1 -6.107 -24.788 -1.509 12 H SER 2 H SER 2 -4.480 -18.814 -5.253 13 HA SER 2 HA SER 2 -2.139 -17.525 -3.906 14 HB2 SER 2 2HB SER 2 -0.858 -17.755 -5.895 15 HB3 SER 2 3HB SER 2 -1.446 -19.349 -5.409 16 HG SER 2 HG SER 2 -3.093 -19.103 -7.081 17 H GLU 3 H GLU 3 -3.863 -17.203 -6.966 18 HA GLU 3 HA GLU 3 -4.178 -14.485 -7.239 19 HB2 GLU 3 2HB GLU 3 -6.042 -15.129 -8.704 20 HB3 GLU 3 3HB GLU 3 -4.738 -16.292 -8.872 21 HG2 GLU 3 2HG GLU 3 -7.405 -16.671 -7.462 22 HG3 GLU 3 3HG GLU 3 -6.806 -17.508 -8.875 23 H GLU 4 H GLU 4 -6.533 -16.531 -5.387 24 HA GLU 4 HA GLU 4 -8.308 -14.413 -4.798 25 HB2 GLU 4 2HB GLU 4 -7.496 -16.955 -3.362 26 HB3 GLU 4 3HB GLU 4 -8.760 -15.924 -2.717 27 HG2 GLU 4 2HG GLU 4 -8.933 -16.904 -5.584 28 HG3 GLU 4 3HG GLU 4 -9.378 -17.966 -4.242 29 H THR 5 H THR 5 -5.414 -15.646 -3.060 30 HA THR 5 HA THR 5 -5.778 -13.994 -0.797 31 HB THR 5 HB THR 5 -3.129 -15.122 -1.744 32 HG1 THR 5 1HG THR 5 -3.777 -17.149 -1.225 33 HG21 THR 5 1HG2 THR 5 -4.493 -15.079 0.987 34 HG22 THR 5 2HG2 THR 5 -2.852 -15.677 0.649 35 HG23 THR 5 3HG2 THR 5 -3.228 -13.955 0.451 36 H SER 6 H SER 6 -3.508 -13.793 -3.541 37 HA SER 6 HA SER 6 -2.278 -11.355 -2.874 38 HB2 SER 6 2HB SER 6 -1.531 -13.010 -4.611 39 HB3 SER 6 3HB SER 6 -2.862 -12.470 -5.652 40 HG SER 6 HG SER 6 -0.484 -11.466 -5.471 41 H THR 7 H THR 7 -5.160 -12.028 -4.872 42 HA THR 7 HA THR 7 -5.666 -9.281 -5.417 43 HB THR 7 HB THR 7 -7.549 -11.658 -5.607 44 HG1 THR 7 1HG THR 7 -5.982 -11.960 -7.019 45 HG21 THR 7 1HG2 THR 7 -8.738 -10.248 -7.296 46 HG22 THR 7 2HG2 THR 7 -8.894 -9.625 -5.649 47 HG23 THR 7 3HG2 THR 7 -7.753 -8.857 -6.791 48 H GLN 8 H GLN 8 -6.706 -11.277 -2.695 49 HA GLN 8 HA GLN 8 -8.727 -9.476 -1.678 50 HB2 GLN 8 2HB GLN 8 -6.833 -11.513 -0.440 51 HB3 GLN 8 3HB GLN 8 -7.807 -10.484 0.569 52 HG2 GLN 8 2HG GLN 8 -9.337 -11.867 -1.594 53 HG3 GLN 8 3HG GLN 8 -8.595 -12.933 -0.398 54 HE21 GLN 8 1HE2 GLN 8 -10.914 -10.179 -0.759 55 HE22 GLN 8 2HE2 GLN 8 -11.648 -10.476 0.809 56 H ILE 9 H ILE 9 -5.203 -9.698 -1.473 57 HA ILE 9 HA ILE 9 -5.114 -7.589 0.552 58 HB ILE 9 HB ILE 9 -2.863 -8.823 -1.093 59 HG12 ILE 9 2HG1 ILE 9 -3.388 -9.538 1.805 60 HG13 ILE 9 3HG1 ILE 9 -4.313 -10.369 0.565 61 HG21 ILE 9 1HG2 ILE 9 -2.864 -7.279 1.526 62 HG22 ILE 9 2HG2 ILE 9 -1.425 -7.995 0.771 63 HG23 ILE 9 3HG2 ILE 9 -2.264 -6.663 -0.029 64 HD11 ILE 9 3HD1 ILE 9 -2.319 -11.663 1.004 65 HD12 ILE 9 1HD1 ILE 9 -2.199 -10.956 -0.614 66 HD13 ILE 9 2HD1 ILE 9 -1.285 -10.240 0.721 67 H LEU 10 H LEU 10 -4.827 -7.989 -2.938 68 HA LEU 10 HA LEU 10 -3.503 -5.589 -3.558 69 HB2 LEU 10 2HB LEU 10 -4.288 -7.776 -4.955 70 HB3 LEU 10 3HB LEU 10 -5.622 -6.736 -5.398 71 HG LEU 10 HG LEU 10 -3.371 -5.103 -5.749 72 HD11 LEU 10 1HD1 LEU 10 -2.704 -7.916 -6.739 73 HD12 LEU 10 2HD1 LEU 10 -1.674 -6.469 -6.770 74 HD13 LEU 10 3HD1 LEU 10 -2.075 -7.227 -5.231 75 HD21 LEU 10 3HD2 LEU 10 -5.326 -5.423 -7.274 76 HD22 LEU 10 1HD2 LEU 10 -3.770 -5.483 -8.144 77 HD23 LEU 10 2HD2 LEU 10 -4.654 -6.981 -7.792 78 H LYS 11 H LYS 11 -6.932 -6.438 -3.392 79 HA LYS 11 HA LYS 11 -7.902 -3.737 -3.949 80 HB2 LYS 11 2HB LYS 11 -9.167 -6.287 -2.867 81 HB3 LYS 11 3HB LYS 11 -9.989 -4.730 -2.720 82 HG2 LYS 11 2HG LYS 11 -10.778 -5.736 -4.729 83 HG3 LYS 11 3HG LYS 11 -9.756 -4.355 -5.158 84 HD2 LYS 11 2HD LYS 11 -7.902 -6.079 -5.627 85 HD3 LYS 11 3HD LYS 11 -9.131 -7.321 -5.316 86 HE2 LYS 11 2HE LYS 11 -9.097 -6.995 -7.686 87 HE3 LYS 11 3HE LYS 11 -10.569 -6.208 -7.081 88 HZ1 LYS 11 3HZ LYS 11 -9.409 -4.108 -7.158 89 HZ2 LYS 11 1HZ LYS 11 -8.040 -4.827 -7.734 90 HZ3 LYS 11 2HZ LYS 11 -9.409 -4.805 -8.645 91 H GLN 12 H GLN 12 -7.136 -5.633 -0.991 92 HA GLN 12 HA GLN 12 -8.236 -3.672 0.682 93 HB2 GLN 12 2HB GLN 12 -7.641 -6.096 1.255 94 HB3 GLN 12 3HB GLN 12 -5.993 -5.522 1.506 95 HG2 GLN 12 2HG GLN 12 -6.951 -5.521 3.648 96 HG3 GLN 12 3HG GLN 12 -7.093 -3.827 3.188 97 HE21 GLN 12 1HE2 GLN 12 -9.381 -3.186 2.174 98 HE22 GLN 12 2HE2 GLN 12 -10.740 -4.100 2.709 99 H VAL 13 H VAL 13 -5.052 -3.765 -0.812 100 HA VAL 13 HA VAL 13 -3.800 -1.753 0.879 101 HB VAL 13 HB VAL 13 -3.324 -2.753 -1.953 102 HG11 VAL 13 1HG1 VAL 13 -1.114 -1.711 -1.875 103 HG12 VAL 13 2HG1 VAL 13 -2.337 -0.467 -1.606 104 HG13 VAL 13 3HG1 VAL 13 -1.417 -1.093 -0.232 105 HG21 VAL 13 3HG2 VAL 13 -2.874 -4.228 0.275 106 HG22 VAL 13 1HG2 VAL 13 -1.856 -4.317 -1.172 107 HG23 VAL 13 2HG2 VAL 13 -1.349 -3.348 0.225 108 H GLU 14 H GLU 14 -5.502 -1.840 -2.263 109 HA GLU 14 HA GLU 14 -5.275 0.920 -2.758 110 HB2 GLU 14 2HB GLU 14 -5.759 -1.013 -4.321 111 HB3 GLU 14 3HB GLU 14 -7.425 -1.014 -3.765 112 HG2 GLU 14 2HG GLU 14 -5.988 1.410 -4.933 113 HG3 GLU 14 3HG GLU 14 -6.847 0.218 -5.924 114 H TYR 15 H TYR 15 -7.651 -0.952 -0.949 115 HA TYR 15 HA TYR 15 -9.742 0.846 -0.743 116 HB2 TYR 15 2HB TYR 15 -10.431 -1.156 -0.064 117 HB3 TYR 15 3HB TYR 15 -8.850 -1.665 0.460 118 HD1 TYR 15 HD1 TYR 15 -7.942 -0.786 2.725 119 HD2 TYR 15 HD2 TYR 15 -12.100 -0.891 1.591 120 HE1 TYR 15 HE1 TYR 15 -8.548 -0.682 5.075 121 HE2 TYR 15 HE2 TYR 15 -12.741 -0.818 3.986 122 HH TYR 15 HH TYR 15 -10.420 -0.204 6.562 123 H TYR 16 H TYR 16 -6.741 0.663 1.203 124 HA TYR 16 HA TYR 16 -7.564 2.471 3.272 125 HB2 TYR 16 2HB TYR 16 -4.957 1.498 2.157 126 HB3 TYR 16 3HB TYR 16 -4.910 3.035 2.983 127 HD1 TYR 16 HD2 TYR 16 -5.445 3.286 5.363 128 HD2 TYR 16 HD1 TYR 16 -5.338 -0.583 3.461 129 HE1 TYR 16 HE2 TYR 16 -5.218 2.231 7.569 130 HE2 TYR 16 HE1 TYR 16 -5.110 -1.660 5.693 131 HH TYR 16 HH TYR 16 -4.330 -1.050 8.115 132 H PHE 17 H PHE 17 -6.461 3.001 -0.019 133 HA PHE 17 HA PHE 17 -6.590 5.894 0.288 134 HB2 PHE 17 2HB PHE 17 -6.157 4.257 -2.237 135 HB3 PHE 17 3HB PHE 17 -5.953 5.991 -2.073 136 HD1 PHE 17 1HD PHE 17 -4.619 2.692 -0.902 137 HD2 PHE 17 2HD PHE 17 -3.844 6.918 -1.332 138 HE1 PHE 17 1HE PHE 17 -2.305 2.347 -0.119 139 HE2 PHE 17 2HE PHE 17 -1.512 6.563 -0.600 140 HZ PHE 17 HZ PHE 17 -0.755 4.271 0.057 141 H SER 18 H SER 18 -8.615 3.332 -1.152 142 HA SER 18 HA SER 18 -10.304 5.166 -2.476 143 HB2 SER 18 2HB SER 18 -10.019 2.821 -3.069 144 HB3 SER 18 3HB SER 18 -10.992 2.375 -1.642 145 HG SER 18 HG SER 18 -12.610 3.872 -2.526 146 H ASP 19 H ASP 19 -10.304 4.188 0.848 147 HA ASP 19 HA ASP 19 -13.011 5.248 1.301 148 HB2 ASP 19 2HB ASP 19 -11.990 3.272 2.406 149 HB3 ASP 19 3HB ASP 19 -10.771 4.328 3.124 150 H SER 20 H SER 20 -10.487 6.851 0.316 151 HA SER 20 HA SER 20 -9.157 8.596 0.824 152 HB2 SER 20 2HB SER 20 -11.800 9.601 1.934 153 HB3 SER 20 3HB SER 20 -10.370 10.622 1.658 154 HG SER 20 HG SER 20 -11.974 10.447 -0.109 155 H ASN 21 H ASN 21 -8.985 6.426 2.750 156 HA ASN 21 HA ASN 21 -8.738 7.905 5.281 157 HB2 ASN 21 2HB ASN 21 -9.732 5.497 4.997 158 HB3 ASN 21 3HB ASN 21 -8.030 5.002 5.069 159 HD21 ASN 21 1HD2 ASN 21 -7.269 4.694 7.223 160 HD22 ASN 21 2HD2 ASN 21 -7.843 5.572 8.558 161 H PHE 22 H PHE 22 -6.727 7.246 2.553 162 HA PHE 22 HA PHE 22 -4.222 7.053 3.832 163 HB2 PHE 22 2HB PHE 22 -3.744 6.788 1.661 164 HB3 PHE 22 3HB PHE 22 -5.260 7.504 1.169 165 HD1 PHE 22 1HD PHE 22 -1.962 8.759 2.573 166 HD2 PHE 22 2HD PHE 22 -5.094 9.192 -0.363 167 HE1 PHE 22 1HE PHE 22 -0.863 10.778 1.679 168 HE2 PHE 22 2HE PHE 22 -4.026 11.205 -1.218 169 HZ PHE 22 HZ PHE 22 -1.873 12.031 -0.218 170 HA PRO 23 HA PRO 23 -3.859 11.684 3.891 171 HB2 PRO 23 2HB PRO 23 -5.983 13.418 3.666 172 HB3 PRO 23 3HB PRO 23 -5.118 12.747 2.245 173 HG2 PRO 23 2HG PRO 23 -7.681 11.721 3.509 174 HG3 PRO 23 3HG PRO 23 -7.358 12.055 1.776 175 HD2 PRO 23 2HD PRO 23 -7.131 9.561 2.824 176 HD3 PRO 23 3HD PRO 23 -6.039 10.134 1.557 177 H ARG 24 H ARG 24 -6.649 10.153 5.315 178 HA ARG 24 HA ARG 24 -6.858 11.887 7.629 179 HB2 ARG 24 2HB ARG 24 -8.637 10.402 6.386 180 HB3 ARG 24 3HB ARG 24 -7.957 9.065 7.325 181 HG2 ARG 24 2HG ARG 24 -8.433 10.426 9.428 182 HG3 ARG 24 3HG ARG 24 -9.224 11.629 8.378 183 HD2 ARG 24 2HD ARG 24 -10.636 9.660 7.479 184 HD3 ARG 24 3HD ARG 24 -9.999 8.731 8.852 185 HE ARG 24 HE ARG 24 -11.097 11.256 9.690 186 HH11 ARG 24 2HH2 ARG 24 -11.981 8.006 8.651 187 HH12 ARG 24 1HH2 ARG 24 -13.532 7.988 9.408 188 HH21 ARG 24 2HH1 ARG 24 -13.185 11.300 10.720 189 HH22 ARG 24 1HH1 ARG 24 -14.229 9.929 10.632 190 H ASP 25 H ASP 25 -5.358 8.736 6.871 191 HA ASP 25 HA ASP 25 -4.663 8.184 9.651 192 HB2 ASP 25 2HB ASP 25 -4.002 6.886 6.975 193 HB3 ASP 25 3HB ASP 25 -3.209 6.399 8.475 194 H LYS 26 H LYS 26 -3.215 9.632 10.434 195 HA LYS 26 HA LYS 26 -1.191 10.958 8.980 196 HB2 LYS 26 2HB LYS 26 -1.115 10.091 11.906 197 HB3 LYS 26 3HB LYS 26 0.105 11.092 11.132 198 HG2 LYS 26 2HG LYS 26 -1.222 12.632 12.204 199 HG3 LYS 26 3HG LYS 26 -1.751 12.749 10.522 200 HD2 LYS 26 2HD LYS 26 -3.806 11.582 11.016 201 HD3 LYS 26 3HD LYS 26 -3.161 10.993 12.569 202 HE2 LYS 26 2HE LYS 26 -2.917 13.556 13.122 203 HE3 LYS 26 3HE LYS 26 -4.092 13.774 11.816 204 HZ1 LYS 26 3HZ LYS 26 -5.567 12.272 13.024 205 HZ2 LYS 26 1HZ LYS 26 -4.457 12.110 14.231 206 HZ3 LYS 26 2HZ LYS 26 -5.161 13.569 13.959 207 H PHE 27 H PHE 27 -1.267 7.603 10.010 208 HA PHE 27 HA PHE 27 1.512 7.090 9.795 209 HB2 PHE 27 2HB PHE 27 -0.353 5.648 10.797 210 HB3 PHE 27 3HB PHE 27 -0.815 5.232 9.157 211 HD1 PHE 27 2HD PHE 27 2.604 5.564 10.770 212 HD2 PHE 27 1HD PHE 27 -0.303 2.901 9.003 213 HE1 PHE 27 2HE PHE 27 4.185 3.704 10.984 214 HE2 PHE 27 1HE PHE 27 1.306 1.018 9.262 215 HZ PHE 27 HZ PHE 27 3.546 1.421 10.254 216 H LEU 28 H LEU 28 -1.159 6.809 7.361 217 HA LEU 28 HA LEU 28 0.693 6.007 5.250 218 HB2 LEU 28 2HB LEU 28 -2.169 7.073 5.193 219 HB3 LEU 28 3HB LEU 28 -1.183 6.868 3.746 220 HG LEU 28 HG LEU 28 -0.790 4.440 4.799 221 HD11 LEU 28 1HD1 LEU 28 -3.676 5.084 5.539 222 HD12 LEU 28 2HD1 LEU 28 -2.875 3.514 5.671 223 HD13 LEU 28 3HD1 LEU 28 -2.361 4.846 6.716 224 HD21 LEU 28 3HD2 LEU 28 -1.561 4.894 2.512 225 HD22 LEU 28 1HD2 LEU 28 -2.550 3.616 3.246 226 HD23 LEU 28 2HD2 LEU 28 -3.195 5.243 3.121 227 H ARG 29 H ARG 29 -0.989 9.024 6.051 228 HA ARG 29 HA ARG 29 0.099 10.578 4.030 229 HB2 ARG 29 2HB ARG 29 -1.885 11.084 5.520 230 HB3 ARG 29 3HB ARG 29 -0.738 11.624 6.757 231 HG2 ARG 29 2HG ARG 29 0.105 13.369 5.270 232 HG3 ARG 29 3HG ARG 29 -0.864 12.747 3.918 233 HD2 ARG 29 2HD ARG 29 -2.902 13.474 4.877 234 HD3 ARG 29 3HD ARG 29 -2.219 13.547 6.499 235 HE ARG 29 HE ARG 29 -1.541 15.661 6.156 236 HH11 ARG 29 2HH2 ARG 29 -2.200 14.269 2.983 237 HH12 ARG 29 1HH2 ARG 29 -1.979 15.740 2.103 238 HH21 ARG 29 2HH1 ARG 29 -1.233 17.649 5.016 239 HH22 ARG 29 1HH1 ARG 29 -1.422 17.716 3.304 240 H SER 30 H SER 30 1.654 9.676 7.096 241 HA SER 30 HA SER 30 3.738 11.687 6.973 242 HB2 SER 30 2HB SER 30 3.569 8.938 8.273 243 HB3 SER 30 3HB SER 30 5.034 9.937 8.315 244 HG SER 30 HG SER 30 2.479 10.586 9.314 245 H GLU 31 H GLU 31 3.410 8.287 5.755 246 HA GLU 31 HA GLU 31 6.087 8.293 4.737 247 HB2 GLU 31 2HB GLU 31 4.103 6.374 5.160 248 HB3 GLU 31 3HB GLU 31 4.113 6.504 3.405 249 HG2 GLU 31 2HG GLU 31 5.652 4.762 4.208 250 HG3 GLU 31 3HG GLU 31 6.515 6.042 3.340 251 H ALA 32 H ALA 32 2.879 8.916 3.318 252 HA ALA 32 HA ALA 32 3.644 9.341 0.658 253 HB1 ALA 32 1HB ALA 32 1.471 10.732 2.290 254 HB2 ALA 32 2HB ALA 32 1.521 10.610 0.525 255 HB3 ALA 32 3HB ALA 32 1.307 9.143 1.496 256 H ALA 33 H ALA 33 3.676 11.544 3.472 257 HA ALA 33 HA ALA 33 4.325 13.918 2.007 258 HB1 ALA 33 1HB ALA 33 4.701 14.882 4.260 259 HB2 ALA 33 2HB ALA 33 3.173 13.995 4.164 260 HB3 ALA 33 3HB ALA 33 4.580 13.259 4.970 261 H LYS 34 H LYS 34 6.378 11.260 2.249 262 HA LYS 34 HA LYS 34 8.808 12.933 2.446 263 HB2 LYS 34 2HB LYS 34 8.139 10.017 2.036 264 HB3 LYS 34 3HB LYS 34 9.558 10.628 1.245 265 HG2 LYS 34 2HG LYS 34 10.123 9.655 3.390 266 HG3 LYS 34 3HG LYS 34 10.526 11.368 3.365 267 HD2 LYS 34 2HD LYS 34 7.828 10.549 4.446 268 HD3 LYS 34 3HD LYS 34 9.239 10.174 5.425 269 HE2 LYS 34 2HE LYS 34 8.579 12.970 4.401 270 HE3 LYS 34 3HE LYS 34 8.146 12.353 5.995 271 HZ1 LYS 34 3HZ LYS 34 10.472 12.033 6.471 272 HZ2 LYS 34 1HZ LYS 34 10.909 12.584 4.984 273 HZ3 LYS 34 2HZ LYS 34 10.195 13.602 6.060 274 H ASN 35 H ASN 35 6.468 11.712 0.011 275 HA ASN 35 HA ASN 35 7.577 13.673 -1.820 276 HB2 ASN 35 2HB ASN 35 8.876 11.332 -1.965 277 HB3 ASN 35 3HB ASN 35 7.477 10.901 -2.954 278 HD21 ASN 35 1HD2 ASN 35 9.412 10.714 -4.537 279 HD22 ASN 35 2HD2 ASN 35 9.990 12.196 -5.305 280 H VAL 36 H VAL 36 5.318 14.257 -1.035 281 HA VAL 36 HA VAL 36 3.186 14.720 -1.594 282 HB VAL 36 HB VAL 36 4.274 13.845 -4.258 283 HG11 VAL 36 1HG1 VAL 36 1.334 14.331 -3.732 284 HG12 VAL 36 2HG1 VAL 36 2.118 14.546 -5.318 285 HG13 VAL 36 3HG1 VAL 36 2.107 12.957 -4.574 286 HG21 VAL 36 3HG2 VAL 36 3.789 16.155 -4.804 287 HG22 VAL 36 1HG2 VAL 36 2.957 16.387 -3.251 288 HG23 VAL 36 2HG2 VAL 36 4.711 16.081 -3.293 289 H ASP 37 H ASP 37 3.462 11.730 -3.356 290 HA ASP 37 HA ASP 37 2.660 9.951 -1.373 291 HB2 ASP 37 2HB ASP 37 0.390 11.087 -1.714 292 HB3 ASP 37 3HB ASP 37 0.371 10.405 -3.336 293 H ASN 38 H ASN 38 4.682 10.166 -3.250 294 HA ASN 38 HA ASN 38 4.147 7.797 -4.956 295 HB2 ASN 38 2HB ASN 38 5.771 8.434 -6.511 296 HB3 ASN 38 3HB ASN 38 4.765 9.868 -6.249 297 HD21 ASN 38 1HD2 ASN 38 5.839 11.778 -6.032 298 HD22 ASN 38 2HD2 ASN 38 7.546 11.859 -5.688 299 H TYR 39 H TYR 39 5.220 8.558 -1.991 300 HA TYR 39 HA TYR 39 7.397 6.609 -2.159 301 HB2 TYR 39 2HB TYR 39 8.242 8.950 -1.978 302 HB3 TYR 39 3HB TYR 39 7.351 9.155 -0.476 303 HD1 TYR 39 HD1 TYR 39 7.943 7.316 1.426 304 HD2 TYR 39 HD2 TYR 39 10.492 8.433 -1.877 305 HE1 TYR 39 HE1 TYR 39 9.891 6.438 2.647 306 HE2 TYR 39 HE2 TYR 39 12.468 7.626 -0.618 307 HH TYR 39 HH TYR 39 12.205 6.084 2.594 308 H ILE 40 H ILE 40 6.582 4.840 -1.065 309 HA ILE 40 HA ILE 40 5.203 5.278 1.487 310 HB ILE 40 HB ILE 40 3.963 3.492 -0.645 311 HG12 ILE 40 2HG1 ILE 40 3.147 6.346 0.049 312 HG13 ILE 40 3HG1 ILE 40 3.806 5.787 -1.491 313 HG21 ILE 40 1HG2 ILE 40 2.061 3.473 0.903 314 HG22 ILE 40 2HG2 ILE 40 3.524 3.008 1.778 315 HG23 ILE 40 3HG2 ILE 40 2.870 4.652 1.959 316 HD11 ILE 40 3HD1 ILE 40 1.764 4.183 -1.586 317 HD12 ILE 40 1HD1 ILE 40 1.103 5.261 -0.326 318 HD13 ILE 40 2HD1 ILE 40 1.530 5.907 -1.915 319 H SER 41 H SER 41 6.785 4.062 2.755 320 HA SER 41 HA SER 41 8.312 2.048 1.455 321 HB2 SER 41 2HB SER 41 8.836 3.605 3.549 322 HB3 SER 41 3HB SER 41 8.158 2.228 4.448 323 HG SER 41 HG SER 41 10.000 1.233 4.039 324 H ILE 42 H ILE 42 8.001 -0.127 1.401 325 HA ILE 42 HA ILE 42 5.444 -1.177 2.026 326 HB ILE 42 HB ILE 42 6.248 -3.312 1.408 327 HG12 ILE 42 2HG1 ILE 42 8.892 -3.324 0.812 328 HG13 ILE 42 3HG1 ILE 42 8.952 -2.290 2.242 329 HG21 ILE 42 1HG2 ILE 42 6.074 -1.364 -0.231 330 HG22 ILE 42 2HG2 ILE 42 7.825 -1.294 -0.213 331 HG23 ILE 42 3HG2 ILE 42 7.038 -2.770 -0.772 332 HD11 ILE 42 3HD1 ILE 42 9.284 -4.672 2.812 333 HD12 ILE 42 1HD1 ILE 42 7.767 -4.106 3.530 334 HD13 ILE 42 2HD1 ILE 42 7.738 -5.093 2.052 335 H ASP 43 H ASP 43 7.993 -0.450 4.207 336 HA ASP 43 HA ASP 43 7.479 -2.404 6.222 337 HB2 ASP 43 2HB ASP 43 8.332 0.506 6.523 338 HB3 ASP 43 3HB ASP 43 8.498 -0.765 7.743 339 H VAL 44 H VAL 44 5.922 0.761 5.413 340 HA VAL 44 HA VAL 44 4.363 0.910 7.791 341 HB VAL 44 HB VAL 44 4.707 2.335 5.161 342 HG11 VAL 44 1HG1 VAL 44 2.823 3.831 5.641 343 HG12 VAL 44 2HG1 VAL 44 2.368 2.195 5.145 344 HG13 VAL 44 3HG1 VAL 44 2.261 2.670 6.875 345 HG21 VAL 44 3HG2 VAL 44 6.036 2.963 7.125 346 HG22 VAL 44 1HG2 VAL 44 4.925 4.270 6.680 347 HG23 VAL 44 2HG2 VAL 44 4.548 3.234 8.061 348 H ILE 45 H ILE 45 3.837 -0.270 4.480 349 HA ILE 45 HA ILE 45 1.013 -0.901 4.876 350 HB ILE 45 HB ILE 45 2.916 -2.094 2.828 351 HG12 ILE 45 2HG1 ILE 45 1.422 0.544 2.420 352 HG13 ILE 45 3HG1 ILE 45 3.124 0.493 2.856 353 HG21 ILE 45 1HG2 ILE 45 0.927 -2.348 1.457 354 HG22 ILE 45 2HG2 ILE 45 0.483 -2.890 3.081 355 HG23 ILE 45 3HG2 ILE 45 -0.018 -1.294 2.528 356 HD11 ILE 45 3HD1 ILE 45 2.002 -0.751 0.335 357 HD12 ILE 45 1HD1 ILE 45 2.878 0.785 0.453 358 HD13 ILE 45 2HD1 ILE 45 3.709 -0.720 0.838 359 H ALA 46 H ALA 46 4.056 -2.771 5.178 360 HA ALA 46 HA ALA 46 2.701 -5.220 5.805 361 HB1 ALA 46 1HB ALA 46 4.850 -5.884 6.827 362 HB2 ALA 46 2HB ALA 46 5.130 -5.110 5.252 363 HB3 ALA 46 3HB ALA 46 5.426 -4.204 6.751 364 H SER 47 H SER 47 3.587 -2.305 7.607 365 HA SER 47 HA SER 47 2.712 -3.415 10.171 366 HB2 SER 47 2HB SER 47 4.744 -1.976 9.873 367 HB3 SER 47 3HB SER 47 3.674 -0.628 9.449 368 HG SER 47 HG SER 47 2.656 -1.045 11.550 369 H PHE 48 H PHE 48 0.881 -2.372 7.621 370 HA PHE 48 HA PHE 48 -0.938 -0.528 8.854 371 HB2 PHE 48 2HB PHE 48 -0.936 -2.387 6.491 372 HB3 PHE 48 3HB PHE 48 -2.491 -1.791 7.011 373 HD1 PHE 48 2HD PHE 48 -0.115 0.861 7.506 374 HD2 PHE 48 1HD PHE 48 -2.300 -1.323 4.505 375 HE1 PHE 48 2HE PHE 48 0.189 2.711 5.923 376 HE2 PHE 48 1HE PHE 48 -1.944 0.525 2.894 377 HZ PHE 48 HZ PHE 48 -0.618 2.508 3.578 378 H ASN 49 H ASN 49 -0.283 -3.462 10.093 379 HA ASN 49 HA ASN 49 -1.200 -4.977 11.336 380 HB2 ASN 49 2HB ASN 49 -2.197 -2.747 12.378 381 HB3 ASN 49 3HB ASN 49 -3.736 -3.436 11.851 382 HD21 ASN 49 1HD2 ASN 49 -4.550 -4.051 13.976 383 HD22 ASN 49 2HD2 ASN 49 -3.648 -5.189 14.964 384 H ARG 50 H ARG 50 -4.174 -3.735 9.790 385 HA ARG 50 HA ARG 50 -5.422 -6.155 9.248 386 HB2 ARG 50 2HB ARG 50 -6.403 -3.878 9.018 387 HB3 ARG 50 3HB ARG 50 -5.417 -3.589 7.574 388 HG2 ARG 50 2HG ARG 50 -6.579 -5.393 6.371 389 HG3 ARG 50 3HG ARG 50 -7.444 -5.841 7.854 390 HD2 ARG 50 2HD ARG 50 -8.315 -3.369 7.829 391 HD3 ARG 50 3HD ARG 50 -7.733 -3.331 6.159 392 HE ARG 50 HE ARG 50 -9.447 -4.695 5.502 393 HH11 ARG 50 2HH2 ARG 50 -9.375 -4.703 9.017 394 HH12 ARG 50 1HH2 ARG 50 -10.767 -5.712 9.200 395 HH21 ARG 50 2HH1 ARG 50 -11.179 -6.078 5.667 396 HH22 ARG 50 1HH1 ARG 50 -11.893 -6.474 7.202 397 H MET 51 H MET 51 -2.891 -4.554 7.294 398 HA MET 51 HA MET 51 -3.207 -6.505 5.161 399 HB2 MET 51 2HB MET 51 -1.942 -4.011 5.332 400 HB3 MET 51 3HB MET 51 -0.598 -5.156 5.211 401 HG2 MET 51 2HG MET 51 -1.368 -4.415 3.001 402 HG3 MET 51 3HG MET 51 -1.593 -6.155 3.216 403 HE1 MET 51 3HE MET 51 -4.881 -2.913 3.096 404 HE2 MET 51 1HE MET 51 -3.762 -3.045 4.459 405 HE3 MET 51 2HE MET 51 -3.143 -2.657 2.831 406 H LYS 52 H LYS 52 -1.043 -6.165 8.018 407 HA LYS 52 HA LYS 52 0.647 -8.339 7.325 408 HB2 LYS 52 2HB LYS 52 0.597 -6.526 9.395 409 HB3 LYS 52 3HB LYS 52 -0.009 -7.948 10.220 410 HG2 LYS 52 2HG LYS 52 2.622 -7.698 8.688 411 HG3 LYS 52 3HG LYS 52 2.414 -7.822 10.441 412 HD2 LYS 52 2HD LYS 52 1.368 -10.111 10.055 413 HD3 LYS 52 3HD LYS 52 1.873 -9.966 8.352 414 HE2 LYS 52 2HE LYS 52 4.223 -9.667 9.083 415 HE3 LYS 52 3HE LYS 52 3.717 -9.897 10.767 416 HZ1 LYS 52 3HZ LYS 52 4.527 -11.958 9.805 417 HZ2 LYS 52 1HZ LYS 52 2.918 -12.110 10.124 418 HZ3 LYS 52 2HZ LYS 52 3.410 -11.895 8.599 419 H THR 53 H THR 53 -2.561 -8.180 8.969 420 HA THR 53 HA THR 53 -2.532 -10.977 9.631 421 HB THR 53 HB THR 53 -4.960 -10.448 10.202 422 HG1 THR 53 1HG THR 53 -5.340 -8.711 8.798 423 HG21 THR 53 1HG2 THR 53 -3.069 -10.221 11.803 424 HG22 THR 53 2HG2 THR 53 -2.794 -8.561 11.235 425 HG23 THR 53 3HG2 THR 53 -4.304 -8.969 12.072 426 H ILE 54 H ILE 54 -4.210 -9.045 7.085 427 HA ILE 54 HA ILE 54 -5.667 -11.306 6.058 428 HB ILE 54 HB ILE 54 -4.948 -8.613 4.855 429 HG12 ILE 54 2HG1 ILE 54 -6.502 -8.716 6.888 430 HG13 ILE 54 3HG1 ILE 54 -7.024 -7.810 5.465 431 HG21 ILE 54 1HG2 ILE 54 -6.749 -9.036 3.182 432 HG22 ILE 54 2HG2 ILE 54 -5.330 -10.063 2.969 433 HG23 ILE 54 3HG2 ILE 54 -6.782 -10.740 3.709 434 HD11 ILE 54 3HD1 ILE 54 -8.799 -9.232 6.488 435 HD12 ILE 54 1HD1 ILE 54 -8.483 -9.590 4.780 436 HD13 ILE 54 2HD1 ILE 54 -7.842 -10.669 6.046 437 H SER 55 H SER 55 -2.472 -9.944 5.419 438 HA SER 55 HA SER 55 -2.030 -11.810 3.158 439 HB2 SER 55 2HB SER 55 0.035 -10.072 4.578 440 HB3 SER 55 3HB SER 55 0.171 -10.826 2.979 441 HG SER 55 HG SER 55 -1.517 -8.712 3.795 442 H THR 56 H THR 56 -1.290 -11.535 6.578 443 HA THR 56 HA THR 56 -0.313 -12.859 8.062 444 HB THR 56 HB THR 56 -0.797 -14.966 5.953 445 HG1 THR 56 1HG THR 56 -2.499 -13.783 7.193 446 HG21 THR 56 1HG2 THR 56 0.133 -15.294 8.847 447 HG22 THR 56 2HG2 THR 56 -0.486 -16.601 7.815 448 HG23 THR 56 3HG2 THR 56 1.037 -15.795 7.395 449 H ASP 57 H ASP 57 1.269 -12.771 4.804 450 HA ASP 57 HA ASP 57 3.892 -13.058 6.058 451 HB2 ASP 57 2HB ASP 57 3.061 -15.168 5.047 452 HB3 ASP 57 3HB ASP 57 2.732 -14.311 3.534 453 H LEU 58 H LEU 58 5.370 -11.861 5.077 454 HA LEU 58 HA LEU 58 4.553 -9.356 3.789 455 HB2 LEU 58 2HB LEU 58 7.349 -10.389 4.454 456 HB3 LEU 58 3HB LEU 58 6.960 -8.804 3.797 457 HG LEU 58 HG LEU 58 5.352 -8.707 5.966 458 HD11 LEU 58 1HD1 LEU 58 7.734 -10.416 6.833 459 HD12 LEU 58 2HD1 LEU 58 6.564 -9.645 7.918 460 HD13 LEU 58 3HD1 LEU 58 6.041 -10.944 6.832 461 HD21 LEU 58 3HD2 LEU 58 7.173 -7.443 7.078 462 HD22 LEU 58 1HD2 LEU 58 8.345 -8.129 5.930 463 HD23 LEU 58 2HD2 LEU 58 7.057 -7.047 5.357 464 H GLN 59 H GLN 59 5.538 -12.468 2.738 465 HA GLN 59 HA GLN 59 6.690 -11.771 0.218 466 HB2 GLN 59 2HB GLN 59 6.861 -14.013 1.248 467 HB3 GLN 59 3HB GLN 59 5.109 -14.209 1.123 468 HG2 GLN 59 2HG GLN 59 6.292 -15.442 -0.657 469 HG3 GLN 59 3HG GLN 59 5.216 -14.219 -1.323 470 HE21 GLN 59 1HE2 GLN 59 6.201 -12.195 -2.231 471 HE22 GLN 59 2HE2 GLN 59 7.892 -12.283 -2.718 472 H LEU 60 H LEU 60 3.352 -12.599 1.279 473 HA LEU 60 HA LEU 60 2.181 -12.085 -1.323 474 HB2 LEU 60 2HB LEU 60 1.312 -12.955 1.395 475 HB3 LEU 60 3HB LEU 60 0.161 -11.924 0.596 476 HG LEU 60 HG LEU 60 -0.221 -14.355 0.237 477 HD11 LEU 60 1HD1 LEU 60 0.290 -12.686 -2.264 478 HD12 LEU 60 2HD1 LEU 60 -0.609 -14.215 -2.224 479 HD13 LEU 60 3HD1 LEU 60 -1.209 -12.820 -1.325 480 HD21 LEU 60 3HD2 LEU 60 2.253 -14.268 -1.541 481 HD22 LEU 60 1HD2 LEU 60 2.179 -15.024 0.069 482 HD23 LEU 60 2HD2 LEU 60 1.174 -15.641 -1.254 483 H ILE 61 H ILE 61 2.893 -10.105 1.525 484 HA ILE 61 HA ILE 61 1.250 -7.921 0.554 485 HB ILE 61 HB ILE 61 2.577 -8.441 2.907 486 HG12 ILE 61 2HG1 ILE 61 0.487 -7.180 2.505 487 HG13 ILE 61 3HG1 ILE 61 1.533 -6.446 3.716 488 HG21 ILE 61 1HG2 ILE 61 4.002 -6.018 1.725 489 HG22 ILE 61 2HG2 ILE 61 4.001 -6.509 3.426 490 HG23 ILE 61 3HG2 ILE 61 4.751 -7.539 2.211 491 HD11 ILE 61 3HD1 ILE 61 2.212 -4.691 2.221 492 HD12 ILE 61 1HD1 ILE 61 1.511 -5.521 0.810 493 HD13 ILE 61 2HD1 ILE 61 0.458 -4.859 2.041 494 H THR 62 H THR 62 4.568 -8.964 0.030 495 HA THR 62 HA THR 62 5.345 -6.521 -1.371 496 HB THR 62 HB THR 62 6.629 -9.284 -1.312 497 HG1 THR 62 1HG THR 62 6.696 -8.223 0.645 498 HG21 THR 62 1HG2 THR 62 8.659 -8.100 -2.129 499 HG22 THR 62 2HG2 THR 62 7.368 -8.070 -3.343 500 HG23 THR 62 3HG2 THR 62 7.701 -6.622 -2.360 501 H GLU 63 H GLU 63 4.079 -9.744 -2.331 502 HA GLU 63 HA GLU 63 4.290 -9.163 -5.152 503 HB2 GLU 63 2HB GLU 63 3.968 -11.503 -4.115 504 HB3 GLU 63 3HB GLU 63 2.255 -11.054 -3.912 505 HG2 GLU 63 2HG GLU 63 2.327 -10.384 -6.422 506 HG3 GLU 63 3HG GLU 63 3.896 -11.167 -6.493 507 H ALA 64 H ALA 64 1.799 -8.604 -2.670 508 HA ALA 64 HA ALA 64 -0.281 -7.900 -4.423 509 HB1 ALA 64 1HB ALA 64 0.340 -6.627 -1.731 510 HB2 ALA 64 2HB ALA 64 -1.227 -6.591 -2.573 511 HB3 ALA 64 3HB ALA 64 -0.578 -8.138 -1.976 512 H LEU 65 H LEU 65 2.366 -5.882 -3.093 513 HA LEU 65 HA LEU 65 1.578 -3.460 -4.404 514 HB2 LEU 65 2HB LEU 65 4.210 -4.519 -3.358 515 HB3 LEU 65 3HB LEU 65 4.059 -2.943 -4.133 516 HG LEU 65 HG LEU 65 2.429 -3.805 -1.707 517 HD11 LEU 65 1HD1 LEU 65 4.759 -1.870 -1.904 518 HD12 LEU 65 2HD1 LEU 65 3.922 -2.450 -0.431 519 HD13 LEU 65 3HD1 LEU 65 4.910 -3.569 -1.364 520 HD21 LEU 65 3HD2 LEU 65 2.474 -1.022 -1.839 521 HD22 LEU 65 1HD2 LEU 65 2.344 -1.458 -3.542 522 HD23 LEU 65 2HD2 LEU 65 1.132 -2.047 -2.394 523 H LYS 66 H LYS 66 3.705 -6.141 -5.331 524 HA LYS 66 HA LYS 66 4.584 -4.878 -7.784 525 HB2 LYS 66 2HB LYS 66 5.188 -7.293 -6.346 526 HB3 LYS 66 3HB LYS 66 4.881 -7.700 -8.042 527 HG2 LYS 66 2HG LYS 66 6.477 -5.925 -8.750 528 HG3 LYS 66 3HG LYS 66 6.775 -5.514 -7.050 529 HD2 LYS 66 2HD LYS 66 7.737 -7.759 -6.659 530 HD3 LYS 66 3HD LYS 66 7.345 -8.218 -8.319 531 HE2 LYS 66 2HE LYS 66 9.684 -7.679 -8.263 532 HE3 LYS 66 3HE LYS 66 8.847 -6.428 -9.183 533 HZ1 LYS 66 3HZ LYS 66 9.781 -6.180 -6.385 534 HZ2 LYS 66 1HZ LYS 66 10.457 -5.441 -7.683 535 HZ3 LYS 66 2HZ LYS 66 8.966 -5.009 -7.207 536 H LYS 67 H LYS 67 1.661 -6.642 -7.092 537 HA LYS 67 HA LYS 67 1.031 -6.633 -10.021 538 HB2 LYS 67 2HB LYS 67 -0.160 -8.148 -7.659 539 HB3 LYS 67 3HB LYS 67 -0.846 -8.173 -9.291 540 HG2 LYS 67 2HG LYS 67 1.236 -9.126 -10.192 541 HG3 LYS 67 3HG LYS 67 1.956 -9.117 -8.568 542 HD2 LYS 67 2HD LYS 67 0.152 -10.605 -7.755 543 HD3 LYS 67 3HD LYS 67 -0.571 -10.634 -9.378 544 HE2 LYS 67 2HE LYS 67 1.458 -11.686 -10.301 545 HE3 LYS 67 3HE LYS 67 2.272 -11.520 -8.736 546 HZ1 LYS 67 3HZ LYS 67 1.580 -13.660 -8.740 547 HZ2 LYS 67 1HZ LYS 67 0.507 -12.955 -7.810 548 HZ3 LYS 67 2HZ LYS 67 0.048 -13.349 -9.358 549 H SER 68 H SER 68 0.894 -4.187 -8.049 550 HA SER 68 HA SER 68 -1.715 -3.946 -7.142 551 HB2 SER 68 2HB SER 68 0.492 -1.958 -7.678 552 HB3 SER 68 3HB SER 68 -1.104 -1.419 -7.125 553 HG SER 68 HG SER 68 0.216 -3.552 -5.862 554 H THR 69 H THR 69 -3.324 -2.433 -7.589 555 HA THR 69 HA THR 69 -4.082 -2.774 -10.412 556 HB THR 69 HB THR 69 -5.351 -4.069 -8.951 557 HG1 THR 69 1HG THR 69 -6.580 -3.030 -10.501 558 HG21 THR 69 1HG2 THR 69 -6.049 -1.638 -7.237 559 HG22 THR 69 2HG2 THR 69 -6.687 -3.261 -7.042 560 HG23 THR 69 3HG2 THR 69 -4.989 -2.975 -6.731 561 H ARG 70 H ARG 70 -4.639 -0.299 -7.813 562 HA ARG 70 HA ARG 70 -4.924 1.763 -9.972 563 HB2 ARG 70 2HB ARG 70 -5.863 1.860 -7.096 564 HB3 ARG 70 3HB ARG 70 -6.192 3.062 -8.300 565 HG2 ARG 70 2HG ARG 70 -7.302 0.218 -8.361 566 HG3 ARG 70 3HG ARG 70 -8.130 1.646 -7.759 567 HD2 ARG 70 2HD ARG 70 -8.959 1.228 -9.952 568 HD3 ARG 70 3HD ARG 70 -7.949 2.688 -10.038 569 HE ARG 70 HE ARG 70 -6.318 0.486 -10.580 570 HH11 ARG 70 2HH2 ARG 70 -9.137 1.933 -12.089 571 HH12 ARG 70 1HH2 ARG 70 -8.753 1.405 -13.693 572 HH21 ARG 70 2HH1 ARG 70 -5.703 -0.144 -12.618 573 HH22 ARG 70 1HH1 ARG 70 -6.706 0.141 -14.012 574 H LEU 71 H LEU 71 -2.515 0.520 -8.076 575 HA LEU 71 HA LEU 71 -1.306 3.150 -7.673 576 HB2 LEU 71 2HB LEU 71 -0.584 0.883 -5.850 577 HB3 LEU 71 3HB LEU 71 -0.547 2.605 -5.582 578 HG LEU 71 HG LEU 71 -3.114 0.962 -5.582 579 HD11 LEU 71 1HD1 LEU 71 -1.370 1.871 -3.260 580 HD12 LEU 71 2HD1 LEU 71 -2.958 1.088 -3.139 581 HD13 LEU 71 3HD1 LEU 71 -1.585 0.198 -3.829 582 HD21 LEU 71 3HD2 LEU 71 -3.426 3.444 -5.919 583 HD22 LEU 71 1HD2 LEU 71 -4.072 2.870 -4.381 584 HD23 LEU 71 2HD2 LEU 71 -2.520 3.719 -4.413 585 H GLN 72 H GLN 72 1.102 2.881 -7.880 586 HA GLN 72 HA GLN 72 1.858 0.466 -9.451 587 HB2 GLN 72 2HB GLN 72 1.271 2.563 -10.800 588 HB3 GLN 72 3HB GLN 72 2.684 3.335 -10.065 589 HG2 GLN 72 2HG GLN 72 4.126 1.508 -10.988 590 HG3 GLN 72 3HG GLN 72 2.695 0.771 -11.728 591 HE21 GLN 72 1HE2 GLN 72 1.305 2.701 -13.001 592 HE22 GLN 72 2HE2 GLN 72 2.359 3.583 -14.097 593 H VAL 73 H VAL 73 3.607 -0.495 -8.512 594 HA VAL 73 HA VAL 73 5.067 0.992 -6.430 595 HB VAL 73 HB VAL 73 4.080 -1.248 -5.955 596 HG11 VAL 73 1HG1 VAL 73 6.232 -2.279 -7.857 597 HG12 VAL 73 2HG1 VAL 73 5.299 -3.243 -6.712 598 HG13 VAL 73 3HG1 VAL 73 4.469 -2.432 -8.060 599 HG21 VAL 73 3HG2 VAL 73 7.099 -1.026 -5.724 600 HG22 VAL 73 1HG2 VAL 73 5.899 -0.410 -4.577 601 HG23 VAL 73 2HG2 VAL 73 6.083 -2.152 -4.812 602 H SER 74 H SER 74 7.237 1.362 -6.563 603 HA SER 74 HA SER 74 8.535 1.440 -9.134 604 HB2 SER 74 2HB SER 74 9.075 2.952 -7.172 605 HB3 SER 74 3HB SER 74 9.797 1.541 -6.370 606 HG SER 74 HG SER 74 10.681 3.010 -8.570 607 H GLU 75 H GLU 75 10.522 0.247 -9.626 608 HA GLU 75 HA GLU 75 10.074 -2.548 -9.563 609 HB2 GLU 75 2HB GLU 75 11.480 -1.065 -11.158 610 HB3 GLU 75 3HB GLU 75 12.791 -1.252 -9.983 611 HG2 GLU 75 2HG GLU 75 12.651 -3.713 -10.212 612 HG3 GLU 75 3HG GLU 75 11.254 -3.551 -11.286 613 H ASP 76 H ASP 76 11.624 -0.329 -7.313 614 HA ASP 76 HA ASP 76 13.399 -2.155 -6.008 615 HB2 ASP 76 2HB ASP 76 13.488 0.408 -6.138 616 HB3 ASP 76 3HB ASP 76 12.174 0.431 -4.958 617 H GLY 77 H GLY 77 9.940 -1.402 -5.774 618 HA2 GLY 77 2HA GLY 77 8.325 -2.135 -4.221 619 HA3 GLY 77 3HA GLY 77 9.414 -3.494 -3.890 620 H LYS 78 H LYS 78 10.330 -0.111 -3.452 621 HA LYS 78 HA LYS 78 9.618 -0.254 -0.555 622 HB2 LYS 78 2HB LYS 78 12.057 1.078 -1.748 623 HB3 LYS 78 3HB LYS 78 11.521 1.176 -0.068 624 HG2 LYS 78 2HG LYS 78 11.672 -1.343 0.083 625 HG3 LYS 78 3HG LYS 78 12.365 -1.360 -1.546 626 HD2 LYS 78 2HD LYS 78 14.150 -1.494 0.063 627 HD3 LYS 78 3HD LYS 78 14.236 0.085 -0.740 628 HE2 LYS 78 2HE LYS 78 13.090 1.142 1.181 629 HE3 LYS 78 3HE LYS 78 12.926 -0.435 1.971 630 HZ1 LYS 78 3HZ LYS 78 15.474 0.892 1.303 631 HZ2 LYS 78 1HZ LYS 78 14.798 0.817 2.807 632 HZ3 LYS 78 2HZ LYS 78 15.321 -0.559 2.067 633 H MET 79 H MET 79 8.836 1.211 -3.520 634 HA MET 79 HA MET 79 7.372 3.164 -1.925 635 HB2 MET 79 2HB MET 79 9.049 4.034 -4.365 636 HB3 MET 79 3HB MET 79 7.950 5.049 -3.458 637 HG2 MET 79 2HG MET 79 9.999 5.740 -2.668 638 HG3 MET 79 3HG MET 79 9.504 4.602 -1.423 639 HE1 MET 79 3HE MET 79 13.231 3.775 -1.239 640 HE2 MET 79 1HE MET 79 12.514 5.393 -1.379 641 HE3 MET 79 2HE MET 79 11.713 4.147 -0.388 642 H VAL 80 H VAL 80 5.554 4.152 -3.057 643 HA VAL 80 HA VAL 80 4.672 2.693 -5.431 644 HB VAL 80 HB VAL 80 2.961 2.856 -2.938 645 HG11 VAL 80 1HG1 VAL 80 2.800 1.042 -5.379 646 HG12 VAL 80 2HG1 VAL 80 1.667 1.050 -4.016 647 HG13 VAL 80 3HG1 VAL 80 1.778 2.460 -5.068 648 HG21 VAL 80 3HG2 VAL 80 5.152 1.135 -2.815 649 HG22 VAL 80 1HG2 VAL 80 3.648 0.986 -1.947 650 HG23 VAL 80 2HG2 VAL 80 3.891 0.121 -3.479 651 H ARG 81 H ARG 81 2.869 3.830 -6.423 652 HA ARG 81 HA ARG 81 2.347 6.567 -5.339 653 HB2 ARG 81 2HB ARG 81 3.984 6.731 -7.123 654 HB3 ARG 81 3HB ARG 81 3.041 5.653 -8.158 655 HG2 ARG 81 2HG ARG 81 2.939 8.002 -8.857 656 HG3 ARG 81 3HG ARG 81 1.357 7.317 -8.524 657 HD2 ARG 81 2HD ARG 81 1.246 8.447 -6.370 658 HD3 ARG 81 3HD ARG 81 2.910 8.961 -6.478 659 HE ARG 81 HE ARG 81 0.542 10.091 -7.867 660 HH11 ARG 81 2HH2 ARG 81 4.025 9.818 -8.166 661 HH12 ARG 81 1HH2 ARG 81 4.241 11.347 -8.953 662 HH21 ARG 81 2HH1 ARG 81 0.770 12.076 -8.943 663 HH22 ARG 81 1HH1 ARG 81 2.319 12.691 -9.387 664 H ARG 82 H ARG 82 0.198 6.937 -5.112 665 HA ARG 82 HA ARG 82 -1.721 5.023 -6.196 666 HB2 ARG 82 2HB ARG 82 -3.435 6.421 -5.180 667 HB3 ARG 82 3HB ARG 82 -2.145 6.052 -4.042 668 HG2 ARG 82 2HG ARG 82 -2.785 8.313 -3.663 669 HG3 ARG 82 3HG ARG 82 -1.185 8.378 -4.454 670 HD2 ARG 82 2HD ARG 82 -2.166 9.002 -6.543 671 HD3 ARG 82 3HD ARG 82 -3.768 8.492 -5.954 672 HE ARG 82 HE ARG 82 -4.162 10.529 -5.223 673 HH11 ARG 82 2HH2 ARG 82 -0.658 10.386 -5.254 674 HH12 ARG 82 1HH2 ARG 82 -0.457 11.965 -5.990 675 HH21 ARG 82 2HH1 ARG 82 -3.903 12.689 -6.073 676 HH22 ARG 82 1HH1 ARG 82 -2.318 13.160 -6.586 677 H LEU 83 H LEU 83 -3.774 6.048 -7.356 678 HA LEU 83 HA LEU 83 -2.821 7.326 -9.811 679 HB2 LEU 83 2HB LEU 83 -5.294 5.948 -8.802 680 HB3 LEU 83 3HB LEU 83 -5.586 7.227 -9.964 681 HG LEU 83 HG LEU 83 -3.644 4.948 -10.506 682 HD11 LEU 83 1HD1 LEU 83 -5.957 4.160 -10.143 683 HD12 LEU 83 2HD1 LEU 83 -6.559 5.327 -11.330 684 HD13 LEU 83 3HD1 LEU 83 -5.488 3.996 -11.847 685 HD21 LEU 83 3HD2 LEU 83 -3.237 6.947 -11.882 686 HD22 LEU 83 1HD2 LEU 83 -3.999 5.692 -12.867 687 HD23 LEU 83 2HD2 LEU 83 -4.966 7.059 -12.272 688 H ASP 84 H ASP 84 -2.796 9.548 -10.024 689 HA ASP 84 HA ASP 84 -3.569 11.222 -7.992 690 HB2 ASP 84 2HB ASP 84 -3.017 11.758 -10.891 691 HB3 ASP 84 3HB ASP 84 -3.480 13.064 -9.784 692 HA PRO 85 HA PRO 85 -7.859 12.183 -9.729 693 HB2 PRO 85 2HB PRO 85 -9.163 10.341 -11.280 694 HB3 PRO 85 3HB PRO 85 -8.149 11.645 -11.977 695 HG2 PRO 85 2HG PRO 85 -7.356 8.772 -11.407 696 HG3 PRO 85 3HG PRO 85 -7.115 9.702 -12.922 697 HD2 PRO 85 2HD PRO 85 -5.149 9.437 -11.095 698 HD3 PRO 85 3HD PRO 85 -5.372 10.989 -11.953 699 H LEU 86 H LEU 86 -9.530 11.664 -8.344 700 HA LEU 86 HA LEU 86 -8.907 9.872 -6.325 701 HB2 LEU 86 2HB LEU 86 -11.264 10.281 -5.491 702 HB3 LEU 86 3HB LEU 86 -10.209 11.658 -5.653 703 HG LEU 86 HG LEU 86 -12.597 11.993 -6.212 704 HD11 LEU 86 1HD1 LEU 86 -12.257 13.617 -7.798 705 HD12 LEU 86 2HD1 LEU 86 -10.639 13.428 -7.112 706 HD13 LEU 86 3HD1 LEU 86 -11.052 12.709 -8.698 707 HD21 LEU 86 3HD2 LEU 86 -13.553 11.340 -8.316 708 HD22 LEU 86 1HD2 LEU 86 -12.059 10.540 -8.822 709 HD23 LEU 86 2HD2 LEU 86 -13.009 9.880 -7.470 710 HA PRO 87 HA PRO 87 -10.465 5.968 -7.542 711 HB2 PRO 87 2HB PRO 87 -10.987 4.793 -5.110 712 HB3 PRO 87 3HB PRO 87 -9.336 5.103 -5.719 713 HG2 PRO 87 2HG PRO 87 -10.931 6.755 -3.738 714 HG3 PRO 87 3HG PRO 87 -9.194 6.305 -3.683 715 HD2 PRO 87 2HD PRO 87 -10.043 8.731 -4.569 716 HD3 PRO 87 3HD PRO 87 -8.584 7.921 -5.214 717 H GLU 88 H GLU 88 -12.460 4.777 -7.762 718 HA GLU 88 HA GLU 88 -14.864 6.410 -7.097 719 HB2 GLU 88 2HB GLU 88 -14.183 6.550 -9.450 720 HB3 GLU 88 3HB GLU 88 -14.163 4.793 -9.583 721 HG2 GLU 88 2HG GLU 88 -16.180 5.840 -10.592 722 HG3 GLU 88 3HG GLU 88 -16.582 4.677 -9.338 723 H ASN 89 H ASN 89 -14.973 5.157 -5.145 724 HA ASN 89 HA ASN 89 -15.623 3.414 -3.793 725 HB2 ASN 89 2HB ASN 89 -17.478 2.973 -6.155 726 HB3 ASN 89 3HB ASN 89 -17.617 2.142 -4.618 727 HD21 ASN 89 1HD2 ASN 89 -17.784 5.476 -6.084 728 HD22 ASN 89 2HD2 ASN 89 -18.735 6.096 -4.764 729 H ILE 90 H ILE 90 -13.289 2.526 -4.434 730 HA ILE 90 HA ILE 90 -13.680 0.021 -5.941 731 HB ILE 90 HB ILE 90 -11.193 1.702 -5.405 732 HG12 ILE 90 2HG1 ILE 90 -12.653 1.161 -8.035 733 HG13 ILE 90 3HG1 ILE 90 -12.904 2.601 -7.053 734 HG21 ILE 90 1HG2 ILE 90 -10.031 0.151 -6.963 735 HG22 ILE 90 2HG2 ILE 90 -10.619 -0.706 -5.551 736 HG23 ILE 90 3HG2 ILE 90 -11.509 -0.840 -7.086 737 HD11 ILE 90 3HD1 ILE 90 -10.514 3.203 -7.267 738 HD12 ILE 90 1HD1 ILE 90 -10.313 1.832 -8.382 739 HD13 ILE 90 2HD1 ILE 90 -11.388 3.162 -8.814 740 H ASP 91 H ASP 91 -13.199 -1.927 -4.966 741 HA ASP 91 HA ASP 91 -11.449 -2.256 -2.830 742 HB2 ASP 91 2HB ASP 91 -13.551 -1.483 -1.550 743 HB3 ASP 91 3HB ASP 91 -14.324 -2.962 -2.104 Start of MODEL 27 1 H1 MET 1 H1 MET 1 -6.979 -18.927 -8.085 2 H2 MET 1 H2 MET 1 -8.369 -19.604 -7.458 3 H3 MET 1 H3 MET 1 -7.884 -18.174 -6.915 4 HA MET 1 HA MET 1 -7.480 -19.902 -5.364 5 HB2 MET 1 2HB MET 1 -5.652 -20.919 -7.574 6 HB3 MET 1 3HB MET 1 -5.500 -21.418 -5.877 7 HG2 MET 1 2HG MET 1 -7.819 -22.211 -5.873 8 HG3 MET 1 3HG MET 1 -8.017 -21.741 -7.564 9 HE1 MET 1 1HE MET 1 -7.502 -23.279 -9.562 10 HE2 MET 1 2HE MET 1 -5.864 -22.624 -9.317 11 HE3 MET 1 3HE MET 1 -6.098 -24.366 -9.576 12 H SER 2 H SER 2 -4.230 -19.419 -6.893 13 HA SER 2 HA SER 2 -3.188 -18.056 -4.682 14 HB2 SER 2 2HB SER 2 -1.490 -17.326 -6.496 15 HB3 SER 2 3HB SER 2 -1.717 -19.072 -6.247 16 HG SER 2 HG SER 2 -1.805 -18.402 -8.479 17 H GLU 3 H GLU 3 -4.241 -16.753 -7.833 18 HA GLU 3 HA GLU 3 -4.003 -14.055 -7.189 19 HB2 GLU 3 2HB GLU 3 -5.366 -15.623 -9.300 20 HB3 GLU 3 3HB GLU 3 -6.093 -14.031 -8.999 21 HG2 GLU 3 2HG GLU 3 -3.898 -12.942 -9.183 22 HG3 GLU 3 3HG GLU 3 -3.121 -14.503 -9.466 23 H GLU 4 H GLU 4 -6.627 -16.161 -6.066 24 HA GLU 4 HA GLU 4 -8.447 -13.935 -5.525 25 HB2 GLU 4 2HB GLU 4 -8.204 -16.728 -4.325 26 HB3 GLU 4 3HB GLU 4 -9.468 -15.575 -3.894 27 HG2 GLU 4 2HG GLU 4 -10.384 -15.570 -6.116 28 HG3 GLU 4 3HG GLU 4 -8.991 -16.441 -6.771 29 H THR 5 H THR 5 -5.840 -15.646 -3.864 30 HA THR 5 HA THR 5 -6.214 -14.314 -1.329 31 HB THR 5 HB THR 5 -3.663 -15.581 -2.378 32 HG1 THR 5 1HG THR 5 -5.309 -17.097 -2.670 33 HG21 THR 5 1HG2 THR 5 -4.890 -15.322 0.402 34 HG22 THR 5 2HG2 THR 5 -3.364 -16.151 0.024 35 HG23 THR 5 3HG2 THR 5 -3.500 -14.395 -0.210 36 H SER 6 H SER 6 -3.779 -13.924 -3.978 37 HA SER 6 HA SER 6 -2.497 -11.677 -2.889 38 HB2 SER 6 2HB SER 6 -1.847 -13.162 -4.886 39 HB3 SER 6 3HB SER 6 -2.901 -12.126 -5.865 40 HG SER 6 HG SER 6 -0.382 -11.730 -5.013 41 H THR 7 H THR 7 -5.386 -11.836 -5.004 42 HA THR 7 HA THR 7 -5.684 -9.012 -5.228 43 HB THR 7 HB THR 7 -7.623 -11.250 -5.865 44 HG1 THR 7 1HG THR 7 -6.008 -11.400 -7.247 45 HG21 THR 7 1HG2 THR 7 -8.642 -9.550 -7.405 46 HG22 THR 7 2HG2 THR 7 -8.926 -9.234 -5.689 47 HG23 THR 7 3HG2 THR 7 -7.695 -8.293 -6.577 48 H GLN 8 H GLN 8 -6.855 -11.309 -2.790 49 HA GLN 8 HA GLN 8 -8.814 -9.540 -1.600 50 HB2 GLN 8 2HB GLN 8 -7.064 -11.804 -0.626 51 HB3 GLN 8 3HB GLN 8 -7.792 -10.760 0.565 52 HG2 GLN 8 2HG GLN 8 -9.462 -12.016 -1.645 53 HG3 GLN 8 3HG GLN 8 -9.053 -12.906 -0.171 54 HE21 GLN 8 1HE2 GLN 8 -11.546 -12.891 -0.059 55 HE22 GLN 8 2HE2 GLN 8 -12.231 -11.525 0.812 56 H ILE 9 H ILE 9 -5.284 -9.793 -1.405 57 HA ILE 9 HA ILE 9 -5.187 -7.809 0.733 58 HB ILE 9 HB ILE 9 -2.831 -8.630 -0.996 59 HG12 ILE 9 2HG1 ILE 9 -3.666 -10.088 1.549 60 HG13 ILE 9 3HG1 ILE 9 -4.021 -10.700 -0.058 61 HG21 ILE 9 1HG2 ILE 9 -1.553 -7.999 0.996 62 HG22 ILE 9 2HG2 ILE 9 -2.678 -6.690 0.645 63 HG23 ILE 9 3HG2 ILE 9 -3.052 -7.839 1.944 64 HD11 ILE 9 3HD1 ILE 9 -1.610 -10.651 -0.624 65 HD12 ILE 9 1HD1 ILE 9 -1.258 -10.190 1.050 66 HD13 ILE 9 2HD1 ILE 9 -2.033 -11.746 0.717 67 H LEU 10 H LEU 10 -4.773 -8.022 -2.769 68 HA LEU 10 HA LEU 10 -3.574 -5.553 -3.251 69 HB2 LEU 10 2HB LEU 10 -4.039 -7.658 -4.752 70 HB3 LEU 10 3HB LEU 10 -5.546 -6.818 -5.144 71 HG LEU 10 HG LEU 10 -2.676 -6.151 -5.789 72 HD11 LEU 10 1HD1 LEU 10 -5.324 -6.274 -7.309 73 HD12 LEU 10 2HD1 LEU 10 -3.791 -5.754 -8.027 74 HD13 LEU 10 3HD1 LEU 10 -3.957 -7.398 -7.405 75 HD21 LEU 10 3HD2 LEU 10 -3.292 -4.055 -4.841 76 HD22 LEU 10 1HD2 LEU 10 -3.496 -3.905 -6.579 77 HD23 LEU 10 2HD2 LEU 10 -4.914 -4.127 -5.563 78 H LYS 11 H LYS 11 -7.022 -6.456 -3.293 79 HA LYS 11 HA LYS 11 -7.870 -3.701 -3.828 80 HB2 LYS 11 2HB LYS 11 -9.311 -6.241 -2.999 81 HB3 LYS 11 3HB LYS 11 -10.146 -4.674 -3.062 82 HG2 LYS 11 2HG LYS 11 -9.903 -4.437 -5.365 83 HG3 LYS 11 3HG LYS 11 -8.427 -5.399 -5.413 84 HD2 LYS 11 2HD LYS 11 -9.815 -6.794 -6.477 85 HD3 LYS 11 3HD LYS 11 -10.000 -7.414 -4.835 86 HE2 LYS 11 2HE LYS 11 -11.829 -5.285 -6.058 87 HE3 LYS 11 3HE LYS 11 -12.163 -7.013 -6.268 88 HZ1 LYS 11 3HZ LYS 11 -12.640 -7.200 -3.988 89 HZ2 LYS 11 1HZ LYS 11 -11.841 -5.803 -3.607 90 HZ3 LYS 11 2HZ LYS 11 -13.206 -5.662 -4.352 91 H GLN 12 H GLN 12 -7.163 -5.614 -1.004 92 HA GLN 12 HA GLN 12 -8.247 -3.719 0.902 93 HB2 GLN 12 2HB GLN 12 -6.555 -6.139 1.067 94 HB3 GLN 12 3HB GLN 12 -6.099 -4.899 2.194 95 HG2 GLN 12 2HG GLN 12 -7.642 -6.242 3.354 96 HG3 GLN 12 3HG GLN 12 -8.522 -4.770 2.944 97 HE21 GLN 12 1HE2 GLN 12 -8.554 -8.235 2.744 98 HE22 GLN 12 2HE2 GLN 12 -9.817 -8.366 1.544 99 H VAL 13 H VAL 13 -5.277 -3.742 -1.043 100 HA VAL 13 HA VAL 13 -3.905 -1.864 0.749 101 HB VAL 13 HB VAL 13 -3.355 -3.212 -1.895 102 HG11 VAL 13 1HG1 VAL 13 -1.748 -0.898 -0.737 103 HG12 VAL 13 2HG1 VAL 13 -1.149 -2.027 -1.977 104 HG13 VAL 13 3HG1 VAL 13 -2.528 -0.983 -2.336 105 HG21 VAL 13 3HG2 VAL 13 -2.869 -4.323 0.303 106 HG22 VAL 13 1HG2 VAL 13 -1.432 -4.098 -0.710 107 HG23 VAL 13 2HG2 VAL 13 -1.734 -3.017 0.672 108 H GLU 14 H GLU 14 -5.506 -1.840 -2.486 109 HA GLU 14 HA GLU 14 -5.195 0.995 -2.723 110 HB2 GLU 14 2HB GLU 14 -6.401 0.851 -4.675 111 HB3 GLU 14 3HB GLU 14 -5.559 -0.718 -4.555 112 HG2 GLU 14 2HG GLU 14 -7.727 -1.614 -3.569 113 HG3 GLU 14 3HG GLU 14 -8.504 -0.123 -4.131 114 H TYR 15 H TYR 15 -7.598 -1.000 -1.054 115 HA TYR 15 HA TYR 15 -9.697 0.819 -0.796 116 HB2 TYR 15 2HB TYR 15 -10.184 -1.321 -0.102 117 HB3 TYR 15 3HB TYR 15 -8.613 -1.571 0.632 118 HD1 TYR 15 HD1 TYR 15 -8.028 -0.849 2.831 119 HD2 TYR 15 HD2 TYR 15 -11.974 -0.228 1.219 120 HE1 TYR 15 HE1 TYR 15 -8.750 0.011 4.999 121 HE2 TYR 15 HE2 TYR 15 -12.740 0.624 3.415 122 HH TYR 15 HH TYR 15 -11.672 1.757 5.396 123 H TYR 16 H TYR 16 -6.654 0.420 1.126 124 HA TYR 16 HA TYR 16 -7.301 2.484 2.985 125 HB2 TYR 16 2HB TYR 16 -4.735 1.149 2.122 126 HB3 TYR 16 3HB TYR 16 -4.638 2.620 3.056 127 HD1 TYR 16 HD1 TYR 16 -6.320 2.683 5.151 128 HD2 TYR 16 HD2 TYR 16 -4.623 -0.848 3.345 129 HE1 TYR 16 HE1 TYR 16 -6.507 1.522 7.287 130 HE2 TYR 16 HE2 TYR 16 -4.747 -2.012 5.534 131 HH TYR 16 HH TYR 16 -5.880 -0.410 8.495 132 H PHE 17 H PHE 17 -6.104 2.733 -0.316 133 HA PHE 17 HA PHE 17 -5.629 5.634 0.042 134 HB2 PHE 17 2HB PHE 17 -5.075 3.681 -2.219 135 HB3 PHE 17 3HB PHE 17 -4.867 5.424 -2.385 136 HD1 PHE 17 2HD PHE 17 -3.226 6.670 -1.029 137 HD2 PHE 17 1HD PHE 17 -3.510 2.371 -0.824 138 HE1 PHE 17 2HE PHE 17 -1.085 6.585 0.211 139 HE2 PHE 17 1HE PHE 17 -1.357 2.287 0.400 140 HZ PHE 17 HZ PHE 17 -0.164 4.396 0.948 141 H SER 18 H SER 18 -8.175 3.568 -0.884 142 HA SER 18 HA SER 18 -9.385 5.416 -2.794 143 HB2 SER 18 2HB SER 18 -9.144 3.014 -3.294 144 HB3 SER 18 3HB SER 18 -10.191 2.643 -1.909 145 HG SER 18 HG SER 18 -11.547 2.705 -3.504 146 H ASP 19 H ASP 19 -9.772 4.255 0.489 147 HA ASP 19 HA ASP 19 -12.527 5.070 0.876 148 HB2 ASP 19 2HB ASP 19 -11.286 3.087 1.817 149 HB3 ASP 19 3HB ASP 19 -10.310 4.198 2.778 150 H SER 20 H SER 20 -10.361 7.107 0.098 151 HA SER 20 HA SER 20 -9.216 8.931 0.764 152 HB2 SER 20 2HB SER 20 -11.914 9.483 2.042 153 HB3 SER 20 3HB SER 20 -10.669 10.701 1.667 154 HG SER 20 HG SER 20 -11.955 8.960 -0.176 155 H ASN 21 H ASN 21 -8.839 6.630 2.587 156 HA ASN 21 HA ASN 21 -8.691 7.980 5.173 157 HB2 ASN 21 2HB ASN 21 -9.339 5.427 4.604 158 HB3 ASN 21 3HB ASN 21 -7.604 5.223 4.907 159 HD21 ASN 21 1HD2 ASN 21 -7.363 4.574 7.098 160 HD22 ASN 21 2HD2 ASN 21 -8.110 5.407 8.376 161 H PHE 22 H PHE 22 -6.549 7.623 2.453 162 HA PHE 22 HA PHE 22 -4.078 7.523 3.798 163 HB2 PHE 22 2HB PHE 22 -3.509 7.401 1.683 164 HB3 PHE 22 3HB PHE 22 -5.023 8.101 1.143 165 HD1 PHE 22 2HD PHE 22 -1.754 9.228 2.711 166 HD2 PHE 22 1HD PHE 22 -4.962 10.054 -0.045 167 HE1 PHE 22 2HE PHE 22 -0.689 11.382 2.089 168 HE2 PHE 22 1HE PHE 22 -3.949 12.217 -0.581 169 HZ PHE 22 HZ PHE 22 -1.764 12.883 0.439 170 HA PRO 23 HA PRO 23 -3.936 12.135 4.239 171 HB2 PRO 23 2HB PRO 23 -6.128 13.781 4.085 172 HB3 PRO 23 3HB PRO 23 -5.203 13.253 2.644 173 HG2 PRO 23 2HG PRO 23 -7.771 12.077 3.744 174 HG3 PRO 23 3HG PRO 23 -7.378 12.496 2.045 175 HD2 PRO 23 2HD PRO 23 -7.140 9.970 3.076 176 HD3 PRO 23 3HD PRO 23 -6.095 10.567 1.776 177 H ARG 24 H ARG 24 -6.619 10.287 5.508 178 HA ARG 24 HA ARG 24 -6.926 11.956 7.894 179 HB2 ARG 24 2HB ARG 24 -8.775 10.899 6.425 180 HB3 ARG 24 3HB ARG 24 -8.375 9.364 7.190 181 HG2 ARG 24 2HG ARG 24 -8.838 11.653 9.068 182 HG3 ARG 24 3HG ARG 24 -10.224 11.208 8.064 183 HD2 ARG 24 2HD ARG 24 -9.971 8.836 8.801 184 HD3 ARG 24 3HD ARG 24 -8.705 9.360 9.938 185 HE ARG 24 HE ARG 24 -10.901 11.025 10.375 186 HH11 ARG 24 2HH2 ARG 24 -10.232 7.582 10.583 187 HH12 ARG 24 1HH2 ARG 24 -11.426 7.233 11.786 188 HH21 ARG 24 2HH1 ARG 24 -12.549 10.621 11.962 189 HH22 ARG 24 1HH1 ARG 24 -12.782 9.032 12.591 190 H ASP 25 H ASP 25 -5.327 8.971 6.945 191 HA ASP 25 HA ASP 25 -4.936 8.111 9.748 192 HB2 ASP 25 2HB ASP 25 -4.291 6.936 7.033 193 HB3 ASP 25 3HB ASP 25 -3.466 6.365 8.481 194 H LYS 26 H LYS 26 -3.478 9.427 10.695 195 HA LYS 26 HA LYS 26 -1.495 10.843 9.368 196 HB2 LYS 26 2HB LYS 26 -0.429 11.267 11.512 197 HB3 LYS 26 3HB LYS 26 -2.176 11.430 11.598 198 HG2 LYS 26 2HG LYS 26 -2.172 10.086 13.373 199 HG3 LYS 26 3HG LYS 26 -1.719 8.733 12.333 200 HD2 LYS 26 2HD LYS 26 0.655 9.129 12.773 201 HD3 LYS 26 3HD LYS 26 0.275 10.644 13.630 202 HE2 LYS 26 2HE LYS 26 -1.103 9.323 15.262 203 HE3 LYS 26 3HE LYS 26 -0.548 7.834 14.483 204 HZ1 LYS 26 3HZ LYS 26 1.194 9.841 15.780 205 HZ2 LYS 26 1HZ LYS 26 0.754 8.399 16.431 206 HZ3 LYS 26 2HZ LYS 26 1.706 8.433 15.092 207 H PHE 27 H PHE 27 -1.470 7.473 10.077 208 HA PHE 27 HA PHE 27 1.361 6.948 9.988 209 HB2 PHE 27 2HB PHE 27 -0.460 5.449 10.893 210 HB3 PHE 27 3HB PHE 27 -1.051 5.218 9.256 211 HD1 PHE 27 2HD PHE 27 2.393 5.207 10.828 212 HD2 PHE 27 1HD PHE 27 -0.567 3.006 8.576 213 HE1 PHE 27 2HE PHE 27 3.903 3.290 10.726 214 HE2 PHE 27 1HE PHE 27 0.964 1.064 8.493 215 HZ PHE 27 HZ PHE 27 3.188 1.177 9.595 216 H LEU 28 H LEU 28 -1.305 6.740 7.572 217 HA LEU 28 HA LEU 28 0.368 5.997 5.356 218 HB2 LEU 28 2HB LEU 28 -2.374 7.245 5.649 219 HB3 LEU 28 3HB LEU 28 -1.578 7.225 4.076 220 HG LEU 28 HG LEU 28 -1.471 4.586 5.369 221 HD11 LEU 28 1HD1 LEU 28 -3.610 4.804 6.238 222 HD12 LEU 28 2HD1 LEU 28 -4.168 5.914 4.991 223 HD13 LEU 28 3HD1 LEU 28 -4.006 4.224 4.616 224 HD21 LEU 28 3HD2 LEU 28 -2.070 3.943 3.058 225 HD22 LEU 28 1HD2 LEU 28 -2.527 5.604 2.699 226 HD23 LEU 28 2HD2 LEU 28 -0.829 5.199 3.053 227 H ARG 29 H ARG 29 -1.100 9.113 6.198 228 HA ARG 29 HA ARG 29 0.139 10.616 4.205 229 HB2 ARG 29 2HB ARG 29 -0.597 12.597 5.381 230 HB3 ARG 29 3HB ARG 29 -1.823 11.326 5.494 231 HG2 ARG 29 2HG ARG 29 -1.962 11.692 7.557 232 HG3 ARG 29 3HG ARG 29 -0.413 10.834 7.707 233 HD2 ARG 29 2HD ARG 29 -0.233 13.769 7.187 234 HD3 ARG 29 3HD ARG 29 -1.003 13.308 8.709 235 HE ARG 29 HE ARG 29 1.432 11.840 8.427 236 HH11 ARG 29 2HH2 ARG 29 0.146 15.038 9.174 237 HH12 ARG 29 1HH2 ARG 29 1.470 15.522 10.174 238 HH21 ARG 29 2HH1 ARG 29 3.247 12.476 9.695 239 HH22 ARG 29 1HH1 ARG 29 3.309 14.030 10.449 240 H SER 30 H SER 30 1.590 9.581 7.311 241 HA SER 30 HA SER 30 3.734 11.540 7.148 242 HB2 SER 30 2HB SER 30 3.587 8.795 8.473 243 HB3 SER 30 3HB SER 30 4.976 9.899 8.586 244 HG SER 30 HG SER 30 2.577 9.976 9.835 245 H GLU 31 H GLU 31 3.282 8.182 5.809 246 HA GLU 31 HA GLU 31 6.050 8.317 4.861 247 HB2 GLU 31 2HB GLU 31 4.322 6.225 5.382 248 HB3 GLU 31 3HB GLU 31 4.226 6.303 3.623 249 HG2 GLU 31 2HG GLU 31 6.026 4.772 4.368 250 HG3 GLU 31 3HG GLU 31 6.681 6.131 3.452 251 H ALA 32 H ALA 32 2.795 8.692 3.488 252 HA ALA 32 HA ALA 32 3.503 9.037 0.782 253 HB1 ALA 32 1HB ALA 32 1.273 10.292 0.760 254 HB2 ALA 32 2HB ALA 32 1.223 8.671 1.476 255 HB3 ALA 32 3HB ALA 32 1.254 10.115 2.509 256 H ALA 33 H ALA 33 3.607 11.332 3.516 257 HA ALA 33 HA ALA 33 4.013 13.703 2.046 258 HB1 ALA 33 1HB ALA 33 4.953 14.575 4.193 259 HB2 ALA 33 2HB ALA 33 3.398 13.758 4.388 260 HB3 ALA 33 3HB ALA 33 4.901 12.928 4.857 261 H LYS 34 H LYS 34 6.200 11.038 1.998 262 HA LYS 34 HA LYS 34 8.571 12.744 1.848 263 HB2 LYS 34 2HB LYS 34 7.975 9.815 1.815 264 HB3 LYS 34 3HB LYS 34 9.215 10.318 0.689 265 HG2 LYS 34 2HG LYS 34 10.337 9.793 2.729 266 HG3 LYS 34 3HG LYS 34 10.373 11.547 2.538 267 HD2 LYS 34 2HD LYS 34 8.085 11.292 4.021 268 HD3 LYS 34 3HD LYS 34 8.943 9.853 4.569 269 HE2 LYS 34 2HE LYS 34 9.986 12.726 4.558 270 HE3 LYS 34 3HE LYS 34 9.414 11.844 5.983 271 HZ1 LYS 34 3HZ LYS 34 11.822 11.841 5.793 272 HZ2 LYS 34 1HZ LYS 34 11.226 10.307 5.704 273 HZ3 LYS 34 2HZ LYS 34 11.742 11.072 4.340 274 H ASN 35 H ASN 35 5.997 11.847 -0.294 275 HA ASN 35 HA ASN 35 6.728 13.916 -2.014 276 HB2 ASN 35 2HB ASN 35 7.516 11.191 -3.023 277 HB3 ASN 35 3HB ASN 35 6.756 12.318 -4.158 278 HD21 ASN 35 1HD2 ASN 35 9.715 11.279 -3.673 279 HD22 ASN 35 2HD2 ASN 35 10.556 12.800 -3.938 280 H VAL 36 H VAL 36 4.636 14.249 -1.046 281 HA VAL 36 HA VAL 36 2.444 14.535 -1.192 282 HB VAL 36 HB VAL 36 2.904 13.514 -4.003 283 HG11 VAL 36 1HG1 VAL 36 0.530 15.075 -2.914 284 HG12 VAL 36 2HG1 VAL 36 0.831 14.649 -4.618 285 HG13 VAL 36 3HG1 VAL 36 0.499 13.380 -3.446 286 HG21 VAL 36 3HG2 VAL 36 2.773 16.322 -2.856 287 HG22 VAL 36 1HG2 VAL 36 4.215 15.509 -3.509 288 HG23 VAL 36 2HG2 VAL 36 2.874 15.918 -4.583 289 H ASP 37 H ASP 37 2.615 11.570 -3.144 290 HA ASP 37 HA ASP 37 1.996 9.703 -1.123 291 HB2 ASP 37 2HB ASP 37 -0.110 9.075 -2.251 292 HB3 ASP 37 3HB ASP 37 -0.204 10.521 -1.248 293 H ASN 38 H ASN 38 4.061 10.173 -2.966 294 HA ASN 38 HA ASN 38 3.787 7.991 -4.948 295 HB2 ASN 38 2HB ASN 38 5.819 10.252 -4.752 296 HB3 ASN 38 3HB ASN 38 5.939 8.919 -5.888 297 HD21 ASN 38 1HD2 ASN 38 4.291 11.933 -5.205 298 HD22 ASN 38 2HD2 ASN 38 3.441 11.994 -6.743 299 H TYR 39 H TYR 39 5.132 8.665 -1.864 300 HA TYR 39 HA TYR 39 7.234 6.582 -2.189 301 HB2 TYR 39 2HB TYR 39 7.319 9.321 -0.930 302 HB3 TYR 39 3HB TYR 39 8.178 8.004 -0.158 303 HD1 TYR 39 HD1 TYR 39 7.842 8.782 -3.858 304 HD2 TYR 39 HD2 TYR 39 10.441 8.397 -0.437 305 HE1 TYR 39 HE1 TYR 39 9.790 9.101 -5.319 306 HE2 TYR 39 HE2 TYR 39 12.409 8.731 -1.906 307 HH TYR 39 HH TYR 39 12.143 9.195 -5.437 308 H ILE 40 H ILE 40 6.392 4.833 -1.139 309 HA ILE 40 HA ILE 40 5.250 5.241 1.539 310 HB ILE 40 HB ILE 40 3.808 3.604 -0.569 311 HG12 ILE 40 2HG1 ILE 40 2.793 6.235 0.542 312 HG13 ILE 40 3HG1 ILE 40 3.599 6.130 -1.020 313 HG21 ILE 40 1HG2 ILE 40 2.074 3.390 1.161 314 HG22 ILE 40 2HG2 ILE 40 3.620 2.915 1.852 315 HG23 ILE 40 3HG2 ILE 40 2.953 4.515 2.216 316 HD11 ILE 40 3HD1 ILE 40 0.971 6.006 -0.828 317 HD12 ILE 40 1HD1 ILE 40 1.863 5.167 -2.099 318 HD13 ILE 40 2HD1 ILE 40 1.319 4.258 -0.703 319 H SER 41 H SER 41 7.012 4.089 2.554 320 HA SER 41 HA SER 41 8.407 1.975 1.520 321 HB2 SER 41 2HB SER 41 7.663 2.640 4.389 322 HB3 SER 41 3HB SER 41 9.057 1.670 3.862 323 HG SER 41 HG SER 41 10.034 3.428 3.165 324 H ILE 42 H ILE 42 7.983 -0.167 1.265 325 HA ILE 42 HA ILE 42 5.444 -1.311 1.815 326 HB ILE 42 HB ILE 42 6.378 -3.440 1.327 327 HG12 ILE 42 2HG1 ILE 42 8.973 -3.398 0.723 328 HG13 ILE 42 3HG1 ILE 42 9.042 -2.185 2.005 329 HG21 ILE 42 1HG2 ILE 42 7.781 -1.386 -0.419 330 HG22 ILE 42 2HG2 ILE 42 7.162 -2.988 -0.880 331 HG23 ILE 42 3HG2 ILE 42 6.045 -1.682 -0.446 332 HD11 ILE 42 3HD1 ILE 42 8.075 -3.861 3.590 333 HD12 ILE 42 1HD1 ILE 42 7.917 -5.022 2.253 334 HD13 ILE 42 2HD1 ILE 42 9.520 -4.497 2.799 335 H ASP 43 H ASP 43 7.963 -0.478 4.001 336 HA ASP 43 HA ASP 43 7.461 -2.368 6.053 337 HB2 ASP 43 2HB ASP 43 8.380 0.530 6.268 338 HB3 ASP 43 3HB ASP 43 8.643 -0.758 7.456 339 H VAL 44 H VAL 44 5.901 0.774 5.202 340 HA VAL 44 HA VAL 44 4.282 0.923 7.552 341 HB VAL 44 HB VAL 44 4.722 2.388 4.999 342 HG11 VAL 44 1HG1 VAL 44 2.644 3.706 5.180 343 HG12 VAL 44 2HG1 VAL 44 2.405 2.058 4.599 344 HG13 VAL 44 3HG1 VAL 44 1.981 2.475 6.283 345 HG21 VAL 44 3HG2 VAL 44 3.889 3.374 7.739 346 HG22 VAL 44 1HG2 VAL 44 5.575 3.017 7.286 347 HG23 VAL 44 2HG2 VAL 44 4.672 4.283 6.451 348 H ILE 45 H ILE 45 3.735 -0.187 4.162 349 HA ILE 45 HA ILE 45 1.006 -0.938 4.744 350 HB ILE 45 HB ILE 45 2.758 -2.113 2.589 351 HG12 ILE 45 2HG1 ILE 45 1.118 -0.029 1.444 352 HG13 ILE 45 3HG1 ILE 45 1.960 0.712 2.774 353 HG21 ILE 45 1HG2 ILE 45 0.680 -2.439 1.368 354 HG22 ILE 45 2HG2 ILE 45 0.383 -2.996 3.031 355 HG23 ILE 45 3HG2 ILE 45 -0.226 -1.433 2.513 356 HD11 ILE 45 3HD1 ILE 45 2.956 0.627 0.289 357 HD12 ILE 45 1HD1 ILE 45 4.017 0.533 1.687 358 HD13 ILE 45 2HD1 ILE 45 3.588 -0.929 0.817 359 H ALA 46 H ALA 46 4.092 -2.677 4.996 360 HA ALA 46 HA ALA 46 2.862 -5.227 5.546 361 HB1 ALA 46 1HB ALA 46 5.632 -4.172 6.292 362 HB2 ALA 46 2HB ALA 46 5.105 -5.866 6.363 363 HB3 ALA 46 3HB ALA 46 5.233 -5.042 4.795 364 H SER 47 H SER 47 3.568 -2.317 7.375 365 HA SER 47 HA SER 47 2.968 -3.694 9.936 366 HB2 SER 47 2HB SER 47 5.025 -2.311 9.695 367 HB3 SER 47 3HB SER 47 4.004 -0.890 9.405 368 HG SER 47 HG SER 47 3.042 -1.360 11.484 369 H PHE 48 H PHE 48 1.002 -2.634 7.615 370 HA PHE 48 HA PHE 48 -0.581 -0.665 8.854 371 HB2 PHE 48 2HB PHE 48 -0.685 -2.359 6.535 372 HB3 PHE 48 3HB PHE 48 -2.271 -2.419 7.273 373 HD1 PHE 48 2HD PHE 48 -2.415 0.477 8.281 374 HD2 PHE 48 1HD PHE 48 -1.203 -1.362 4.572 375 HE1 PHE 48 2HE PHE 48 -3.014 2.547 7.047 376 HE2 PHE 48 1HE PHE 48 -1.769 0.723 3.346 377 HZ PHE 48 HZ PHE 48 -2.672 2.639 4.589 378 H ASN 49 H ASN 49 -0.103 -3.643 10.223 379 HA ASN 49 HA ASN 49 -1.168 -5.059 11.543 380 HB2 ASN 49 2HB ASN 49 -2.321 -2.577 12.306 381 HB3 ASN 49 3HB ASN 49 -3.671 -3.703 12.167 382 HD21 ASN 49 1HD2 ASN 49 -4.041 -3.978 14.466 383 HD22 ASN 49 2HD2 ASN 49 -2.793 -4.699 15.470 384 H ARG 50 H ARG 50 -4.016 -3.584 9.892 385 HA ARG 50 HA ARG 50 -5.359 -6.023 9.423 386 HB2 ARG 50 2HB ARG 50 -6.204 -3.605 9.192 387 HB3 ARG 50 3HB ARG 50 -5.413 -3.569 7.610 388 HG2 ARG 50 2HG ARG 50 -6.847 -5.532 6.911 389 HG3 ARG 50 3HG ARG 50 -7.637 -5.450 8.501 390 HD2 ARG 50 2HD ARG 50 -8.094 -2.961 7.920 391 HD3 ARG 50 3HD ARG 50 -7.653 -3.398 6.261 392 HE ARG 50 HE ARG 50 -9.729 -4.958 7.700 393 HH11 ARG 50 2HH2 ARG 50 -9.081 -2.610 5.094 394 HH12 ARG 50 1HH2 ARG 50 -10.652 -2.709 4.420 395 HH21 ARG 50 2HH1 ARG 50 -11.857 -5.041 6.828 396 HH22 ARG 50 1HH1 ARG 50 -12.252 -4.121 5.422 397 H MET 51 H MET 51 -2.858 -4.440 7.423 398 HA MET 51 HA MET 51 -3.237 -6.395 5.287 399 HB2 MET 51 2HB MET 51 -1.787 -3.924 5.519 400 HB3 MET 51 3HB MET 51 -0.639 -5.199 5.102 401 HG2 MET 51 2HG MET 51 -1.319 -4.576 3.031 402 HG3 MET 51 3HG MET 51 -2.465 -5.871 3.320 403 HE1 MET 51 3HE MET 51 -5.746 -3.773 4.095 404 HE2 MET 51 1HE MET 51 -4.999 -5.394 4.084 405 HE3 MET 51 2HE MET 51 -4.590 -4.220 5.357 406 H LYS 52 H LYS 52 -1.029 -6.060 8.147 407 HA LYS 52 HA LYS 52 0.728 -8.106 7.286 408 HB2 LYS 52 2HB LYS 52 0.879 -6.254 9.179 409 HB3 LYS 52 3HB LYS 52 0.181 -7.488 10.213 410 HG2 LYS 52 2HG LYS 52 2.581 -8.084 8.428 411 HG3 LYS 52 3HG LYS 52 2.801 -7.274 9.975 412 HD2 LYS 52 2HD LYS 52 2.462 -9.120 11.187 413 HD3 LYS 52 3HD LYS 52 1.110 -9.676 10.202 414 HE2 LYS 52 2HE LYS 52 2.429 -10.895 8.756 415 HE3 LYS 52 3HE LYS 52 3.794 -9.774 8.883 416 HZ1 LYS 52 3HZ LYS 52 3.031 -11.707 10.972 417 HZ2 LYS 52 1HZ LYS 52 4.241 -11.916 9.884 418 HZ3 LYS 52 2HZ LYS 52 4.342 -10.703 10.997 419 H THR 53 H THR 53 -2.315 -8.081 9.043 420 HA THR 53 HA THR 53 -2.244 -10.881 9.783 421 HB THR 53 HB THR 53 -4.672 -10.318 10.408 422 HG1 THR 53 1HG THR 53 -3.981 -7.650 10.154 423 HG21 THR 53 1HG2 THR 53 -2.788 -10.195 12.004 424 HG22 THR 53 2HG2 THR 53 -2.387 -8.564 11.438 425 HG23 THR 53 3HG2 THR 53 -3.924 -8.859 12.292 426 H ILE 54 H ILE 54 -4.204 -8.948 7.424 427 HA ILE 54 HA ILE 54 -5.439 -11.229 6.271 428 HB ILE 54 HB ILE 54 -4.879 -8.450 5.239 429 HG12 ILE 54 2HG1 ILE 54 -6.508 -8.655 7.075 430 HG13 ILE 54 3HG1 ILE 54 -7.187 -8.004 5.581 431 HG21 ILE 54 1HG2 ILE 54 -6.547 -8.890 3.414 432 HG22 ILE 54 2HG2 ILE 54 -4.953 -9.600 3.213 433 HG23 ILE 54 3HG2 ILE 54 -6.297 -10.632 3.718 434 HD11 ILE 54 3HD1 ILE 54 -8.735 -9.595 6.531 435 HD12 ILE 54 1HD1 ILE 54 -8.062 -10.279 5.039 436 HD13 ILE 54 2HD1 ILE 54 -7.476 -10.839 6.622 437 H SER 55 H SER 55 -2.259 -9.870 5.632 438 HA SER 55 HA SER 55 -1.850 -11.690 3.324 439 HB2 SER 55 2HB SER 55 0.208 -9.983 4.797 440 HB3 SER 55 3HB SER 55 0.391 -10.758 3.212 441 HG SER 55 HG SER 55 -1.348 -8.651 3.936 442 H THR 56 H THR 56 -1.085 -11.494 6.755 443 HA THR 56 HA THR 56 -0.073 -12.832 8.201 444 HB THR 56 HB THR 56 -0.798 -14.893 6.116 445 HG1 THR 56 1HG THR 56 -2.351 -13.677 7.431 446 HG21 THR 56 1HG2 THR 56 1.043 -15.921 7.372 447 HG22 THR 56 2HG2 THR 56 0.346 -15.350 8.910 448 HG23 THR 56 3HG2 THR 56 -0.502 -16.576 7.945 449 H ASP 57 H ASP 57 1.444 -12.484 4.993 450 HA ASP 57 HA ASP 57 4.080 -12.994 6.138 451 HB2 ASP 57 2HB ASP 57 3.134 -15.042 5.036 452 HB3 ASP 57 3HB ASP 57 2.882 -14.099 3.559 453 H LEU 58 H LEU 58 5.575 -11.762 5.144 454 HA LEU 58 HA LEU 58 4.713 -9.261 3.861 455 HB2 LEU 58 2HB LEU 58 7.519 -10.264 4.541 456 HB3 LEU 58 3HB LEU 58 7.147 -8.719 3.791 457 HG LEU 58 HG LEU 58 5.524 -8.500 5.951 458 HD11 LEU 58 1HD1 LEU 58 7.946 -10.092 6.921 459 HD12 LEU 58 2HD1 LEU 58 6.731 -9.306 7.947 460 HD13 LEU 58 3HD1 LEU 58 6.271 -10.681 6.923 461 HD21 LEU 58 3HD2 LEU 58 8.509 -7.877 5.862 462 HD22 LEU 58 1HD2 LEU 58 7.205 -6.860 5.214 463 HD23 LEU 58 2HD2 LEU 58 7.326 -7.132 6.960 464 H GLN 59 H GLN 59 5.667 -12.367 2.817 465 HA GLN 59 HA GLN 59 6.795 -11.666 0.271 466 HB2 GLN 59 2HB GLN 59 7.045 -13.893 1.328 467 HB3 GLN 59 3HB GLN 59 5.297 -14.141 1.223 468 HG2 GLN 59 2HG GLN 59 6.522 -15.342 -0.566 469 HG3 GLN 59 3HG GLN 59 5.369 -14.180 -1.214 470 HE21 GLN 59 1HE2 GLN 59 6.193 -12.194 -2.250 471 HE22 GLN 59 2HE2 GLN 59 7.884 -12.163 -2.747 472 H LEU 60 H LEU 60 3.500 -12.559 1.422 473 HA LEU 60 HA LEU 60 2.255 -12.119 -1.149 474 HB2 LEU 60 2HB LEU 60 1.466 -12.856 1.637 475 HB3 LEU 60 3HB LEU 60 0.288 -11.882 0.806 476 HG LEU 60 HG LEU 60 1.456 -14.446 -0.339 477 HD11 LEU 60 1HD1 LEU 60 0.160 -14.869 1.721 478 HD12 LEU 60 2HD1 LEU 60 -1.204 -13.944 1.073 479 HD13 LEU 60 3HD1 LEU 60 -0.711 -15.465 0.297 480 HD21 LEU 60 3HD2 LEU 60 -0.971 -12.795 -1.190 481 HD22 LEU 60 1HD2 LEU 60 0.537 -12.955 -2.108 482 HD23 LEU 60 2HD2 LEU 60 -0.501 -14.360 -1.870 483 H ILE 61 H ILE 61 2.957 -10.054 1.667 484 HA ILE 61 HA ILE 61 1.246 -7.949 0.653 485 HB ILE 61 HB ILE 61 2.485 -8.410 3.025 486 HG12 ILE 61 2HG1 ILE 61 0.448 -7.075 2.497 487 HG13 ILE 61 3HG1 ILE 61 1.442 -6.405 3.785 488 HG21 ILE 61 1HG2 ILE 61 4.005 -6.002 1.938 489 HG22 ILE 61 2HG2 ILE 61 3.962 -6.585 3.611 490 HG23 ILE 61 3HG2 ILE 61 4.709 -7.566 2.353 491 HD11 ILE 61 3HD1 ILE 61 1.815 -5.411 0.944 492 HD12 ILE 61 1HD1 ILE 61 0.480 -4.846 1.914 493 HD13 ILE 61 2HD1 ILE 61 2.154 -4.593 2.479 494 H THR 62 H THR 62 4.626 -8.798 0.225 495 HA THR 62 HA THR 62 5.320 -6.342 -1.204 496 HB THR 62 HB THR 62 6.710 -9.051 -1.063 497 HG1 THR 62 1HG THR 62 6.776 -7.987 0.852 498 HG21 THR 62 1HG2 THR 62 8.709 -7.831 -1.903 499 HG22 THR 62 2HG2 THR 62 7.431 -7.904 -3.128 500 HG23 THR 62 3HG2 THR 62 7.701 -6.400 -2.210 501 H GLU 63 H GLU 63 4.260 -9.624 -2.131 502 HA GLU 63 HA GLU 63 4.453 -9.132 -4.951 503 HB2 GLU 63 2HB GLU 63 4.303 -11.421 -3.957 504 HB3 GLU 63 3HB GLU 63 2.636 -11.069 -3.451 505 HG2 GLU 63 2HG GLU 63 2.104 -10.576 -5.902 506 HG3 GLU 63 3HG GLU 63 3.733 -11.121 -6.302 507 H ALA 64 H ALA 64 1.878 -8.643 -2.532 508 HA ALA 64 HA ALA 64 -0.230 -8.101 -4.332 509 HB1 ALA 64 1HB ALA 64 0.302 -6.748 -1.655 510 HB2 ALA 64 2HB ALA 64 -1.252 -6.795 -2.512 511 HB3 ALA 64 3HB ALA 64 -0.543 -8.300 -1.888 512 H LEU 65 H LEU 65 2.278 -5.894 -3.051 513 HA LEU 65 HA LEU 65 1.293 -3.567 -4.478 514 HB2 LEU 65 2HB LEU 65 3.911 -4.322 -3.136 515 HB3 LEU 65 3HB LEU 65 3.709 -2.783 -3.970 516 HG LEU 65 HG LEU 65 1.729 -3.665 -1.844 517 HD11 LEU 65 1HD1 LEU 65 4.071 -1.831 -1.313 518 HD12 LEU 65 2HD1 LEU 65 2.967 -2.659 -0.165 519 HD13 LEU 65 3HD1 LEU 65 4.187 -3.591 -1.024 520 HD21 LEU 65 3HD2 LEU 65 1.056 -1.747 -3.287 521 HD22 LEU 65 1HD2 LEU 65 1.409 -1.192 -1.641 522 HD23 LEU 65 2HD2 LEU 65 2.598 -0.940 -2.933 523 H LYS 66 H LYS 66 3.706 -6.103 -5.149 524 HA LYS 66 HA LYS 66 4.742 -4.935 -7.571 525 HB2 LYS 66 2HB LYS 66 5.738 -6.879 -6.255 526 HB3 LYS 66 3HB LYS 66 4.506 -7.907 -7.020 527 HG2 LYS 66 2HG LYS 66 5.337 -7.184 -9.264 528 HG3 LYS 66 3HG LYS 66 6.553 -6.166 -8.470 529 HD2 LYS 66 2HD LYS 66 7.621 -8.176 -7.512 530 HD3 LYS 66 3HD LYS 66 6.322 -9.191 -8.167 531 HE2 LYS 66 2HE LYS 66 8.230 -9.360 -9.650 532 HE3 LYS 66 3HE LYS 66 6.920 -8.500 -10.470 533 HZ1 LYS 66 3HZ LYS 66 9.275 -7.233 -9.210 534 HZ2 LYS 66 1HZ LYS 66 9.026 -7.416 -10.825 535 HZ3 LYS 66 2HZ LYS 66 8.049 -6.426 -9.955 536 H LYS 67 H LYS 67 1.783 -6.669 -6.871 537 HA LYS 67 HA LYS 67 1.124 -6.744 -9.762 538 HB2 LYS 67 2HB LYS 67 1.144 -8.757 -7.867 539 HB3 LYS 67 3HB LYS 67 -0.535 -8.241 -7.759 540 HG2 LYS 67 2HG LYS 67 -0.642 -8.472 -10.304 541 HG3 LYS 67 3HG LYS 67 1.019 -9.098 -10.239 542 HD2 LYS 67 2HD LYS 67 0.036 -10.825 -8.505 543 HD3 LYS 67 3HD LYS 67 -1.531 -10.336 -9.191 544 HE2 LYS 67 2HE LYS 67 -0.225 -10.705 -11.500 545 HE3 LYS 67 3HE LYS 67 0.825 -11.720 -10.496 546 HZ1 LYS 67 3HZ LYS 67 -2.097 -12.035 -10.869 547 HZ2 LYS 67 1HZ LYS 67 -0.994 -12.995 -11.498 548 HZ3 LYS 67 2HZ LYS 67 -1.195 -12.966 -9.863 549 H SER 68 H SER 68 0.984 -4.170 -8.296 550 HA SER 68 HA SER 68 -1.459 -3.822 -7.061 551 HB2 SER 68 2HB SER 68 -0.992 -1.355 -7.614 552 HB3 SER 68 3HB SER 68 0.165 -2.216 -6.630 553 HG SER 68 HG SER 68 0.384 -1.384 -9.296 554 H THR 69 H THR 69 -3.212 -2.306 -7.754 555 HA THR 69 HA THR 69 -3.945 -2.722 -10.591 556 HB THR 69 HB THR 69 -5.008 -4.398 -9.285 557 HG1 THR 69 1HG THR 69 -6.136 -3.677 -10.991 558 HG21 THR 69 1HG2 THR 69 -6.984 -2.774 -7.889 559 HG22 THR 69 2HG2 THR 69 -6.192 -4.212 -7.333 560 HG23 THR 69 3HG2 THR 69 -5.383 -2.663 -7.120 561 H ARG 70 H ARG 70 -5.377 -0.704 -7.806 562 HA ARG 70 HA ARG 70 -5.437 1.496 -9.687 563 HB2 ARG 70 2HB ARG 70 -5.813 1.232 -6.702 564 HB3 ARG 70 3HB ARG 70 -5.844 2.805 -7.440 565 HG2 ARG 70 2HG ARG 70 -7.674 0.671 -8.559 566 HG3 ARG 70 3HG ARG 70 -8.085 1.523 -7.060 567 HD2 ARG 70 2HD ARG 70 -9.129 2.747 -8.791 568 HD3 ARG 70 3HD ARG 70 -7.775 3.705 -8.235 569 HE ARG 70 HE ARG 70 -6.683 3.415 -10.254 570 HH11 ARG 70 2HH2 ARG 70 -9.528 1.335 -10.137 571 HH12 ARG 70 1HH2 ARG 70 -9.681 1.138 -11.843 572 HH21 ARG 70 2HH1 ARG 70 -6.790 3.095 -12.563 573 HH22 ARG 70 1HH1 ARG 70 -8.046 2.132 -13.251 574 H LEU 71 H LEU 71 -2.721 0.280 -7.757 575 HA LEU 71 HA LEU 71 -1.540 3.003 -7.830 576 HB2 LEU 71 2HB LEU 71 -0.517 0.980 -5.881 577 HB3 LEU 71 3HB LEU 71 -0.633 2.710 -5.774 578 HG LEU 71 HG LEU 71 -2.996 0.830 -5.438 579 HD11 LEU 71 1HD1 LEU 71 -1.289 0.566 -3.668 580 HD12 LEU 71 2HD1 LEU 71 -1.326 2.314 -3.363 581 HD13 LEU 71 3HD1 LEU 71 -2.766 1.325 -3.046 582 HD21 LEU 71 3HD2 LEU 71 -3.544 3.234 -6.148 583 HD22 LEU 71 1HD2 LEU 71 -4.191 2.746 -4.574 584 HD23 LEU 71 2HD2 LEU 71 -2.745 3.766 -4.659 585 H GLN 72 H GLN 72 1.023 2.643 -7.722 586 HA GLN 72 HA GLN 72 1.839 0.390 -9.478 587 HB2 GLN 72 2HB GLN 72 1.992 3.368 -10.023 588 HB3 GLN 72 3HB GLN 72 3.276 2.322 -10.626 589 HG2 GLN 72 2HG GLN 72 0.350 1.763 -11.232 590 HG3 GLN 72 3HG GLN 72 1.345 2.837 -12.217 591 HE21 GLN 72 1HE2 GLN 72 2.090 1.780 -14.059 592 HE22 GLN 72 2HE2 GLN 72 2.650 0.113 -14.026 593 H VAL 73 H VAL 73 3.463 -0.603 -8.396 594 HA VAL 73 HA VAL 73 5.015 0.941 -6.438 595 HB VAL 73 HB VAL 73 3.986 -1.297 -5.914 596 HG11 VAL 73 1HG1 VAL 73 4.539 -2.550 -7.947 597 HG12 VAL 73 2HG1 VAL 73 6.280 -2.344 -7.634 598 HG13 VAL 73 3HG1 VAL 73 5.298 -3.277 -6.507 599 HG21 VAL 73 3HG2 VAL 73 5.944 -2.109 -4.634 600 HG22 VAL 73 1HG2 VAL 73 6.984 -0.983 -5.525 601 HG23 VAL 73 2HG2 VAL 73 5.697 -0.376 -4.459 602 H SER 74 H SER 74 7.231 1.109 -6.534 603 HA SER 74 HA SER 74 8.484 1.246 -9.144 604 HB2 SER 74 2HB SER 74 9.134 2.758 -7.303 605 HB3 SER 74 3HB SER 74 9.659 1.362 -6.335 606 HG SER 74 HG SER 74 11.343 2.484 -7.574 607 H GLU 75 H GLU 75 10.376 0.017 -9.710 608 HA GLU 75 HA GLU 75 10.143 -2.840 -9.408 609 HB2 GLU 75 2HB GLU 75 12.052 -0.880 -10.642 610 HB3 GLU 75 3HB GLU 75 12.683 -2.497 -10.277 611 HG2 GLU 75 2HG GLU 75 11.047 -3.588 -11.609 612 HG3 GLU 75 3HG GLU 75 10.032 -2.145 -11.707 613 H ASP 76 H ASP 76 11.485 -0.307 -7.383 614 HA ASP 76 HA ASP 76 13.397 -1.986 -6.036 615 HB2 ASP 76 2HB ASP 76 12.742 0.751 -6.074 616 HB3 ASP 76 3HB ASP 76 12.254 0.238 -4.462 617 H GLY 77 H GLY 77 9.907 -1.642 -5.861 618 HA2 GLY 77 2HA GLY 77 8.326 -2.359 -4.272 619 HA3 GLY 77 3HA GLY 77 9.462 -3.680 -3.927 620 H LYS 78 H LYS 78 10.124 -0.264 -3.616 621 HA LYS 78 HA LYS 78 9.851 -0.359 -0.644 622 HB2 LYS 78 2HB LYS 78 12.278 -0.227 -1.983 623 HB3 LYS 78 3HB LYS 78 11.883 1.474 -1.818 624 HG2 LYS 78 2HG LYS 78 12.926 1.206 0.201 625 HG3 LYS 78 3HG LYS 78 11.322 0.681 0.723 626 HD2 LYS 78 2HD LYS 78 13.675 -1.061 -0.136 627 HD3 LYS 78 3HD LYS 78 12.984 -0.922 1.495 628 HE2 LYS 78 2HE LYS 78 10.830 -1.869 0.611 629 HE3 LYS 78 3HE LYS 78 11.598 -2.048 -0.975 630 HZ1 LYS 78 3HZ LYS 78 11.609 -4.078 0.240 631 HZ2 LYS 78 1HZ LYS 78 13.150 -3.568 -0.016 632 HZ3 LYS 78 2HZ LYS 78 12.464 -3.409 1.483 633 H MET 79 H MET 79 8.827 1.221 -3.583 634 HA MET 79 HA MET 79 7.265 2.930 -1.823 635 HB2 MET 79 2HB MET 79 8.960 4.012 -4.156 636 HB3 MET 79 3HB MET 79 7.603 4.872 -3.447 637 HG2 MET 79 2HG MET 79 9.342 5.856 -2.332 638 HG3 MET 79 3HG MET 79 8.885 4.596 -1.189 639 HE1 MET 79 3HE MET 79 10.840 4.069 0.195 640 HE2 MET 79 1HE MET 79 12.521 4.349 -0.314 641 HE3 MET 79 2HE MET 79 11.350 5.691 -0.332 642 H VAL 80 H VAL 80 5.306 3.673 -2.833 643 HA VAL 80 HA VAL 80 4.718 2.649 -5.492 644 HB VAL 80 HB VAL 80 3.868 0.860 -4.097 645 HG11 VAL 80 1HG1 VAL 80 2.240 1.282 -2.241 646 HG12 VAL 80 2HG1 VAL 80 3.877 1.848 -1.908 647 HG13 VAL 80 3HG1 VAL 80 2.595 3.003 -2.383 648 HG21 VAL 80 3HG2 VAL 80 2.276 1.510 -5.836 649 HG22 VAL 80 1HG2 VAL 80 1.449 0.929 -4.399 650 HG23 VAL 80 2HG2 VAL 80 1.507 2.670 -4.725 651 H ARG 81 H ARG 81 3.051 3.858 -6.499 652 HA ARG 81 HA ARG 81 2.398 6.399 -5.095 653 HB2 ARG 81 2HB ARG 81 2.385 7.514 -7.335 654 HB3 ARG 81 3HB ARG 81 3.988 7.094 -6.759 655 HG2 ARG 81 2HG ARG 81 2.670 5.104 -8.577 656 HG3 ARG 81 3HG ARG 81 3.172 6.651 -9.254 657 HD2 ARG 81 2HD ARG 81 5.452 6.194 -7.977 658 HD3 ARG 81 3HD ARG 81 4.894 4.529 -7.942 659 HE ARG 81 HE ARG 81 5.377 4.349 -10.165 660 HH11 ARG 81 2HH2 ARG 81 5.093 7.795 -9.345 661 HH12 ARG 81 1HH2 ARG 81 5.734 8.373 -10.833 662 HH21 ARG 81 2HH1 ARG 81 6.242 5.119 -12.199 663 HH22 ARG 81 1HH1 ARG 81 6.388 6.813 -12.502 664 H ARG 82 H ARG 82 0.368 7.245 -5.555 665 HA ARG 82 HA ARG 82 -1.524 5.174 -6.567 666 HB2 ARG 82 2HB ARG 82 -3.231 6.281 -5.240 667 HB3 ARG 82 3HB ARG 82 -1.831 5.873 -4.268 668 HG2 ARG 82 2HG ARG 82 -2.403 7.948 -3.485 669 HG3 ARG 82 3HG ARG 82 -1.055 8.319 -4.557 670 HD2 ARG 82 2HD ARG 82 -2.404 9.375 -6.113 671 HD3 ARG 82 3HD ARG 82 -3.828 8.384 -5.733 672 HE ARG 82 HE ARG 82 -2.876 10.789 -4.381 673 HH11 ARG 82 2HH2 ARG 82 -5.136 8.079 -4.268 674 HH12 ARG 82 1HH2 ARG 82 -6.100 8.690 -2.974 675 HH21 ARG 82 2HH1 ARG 82 -4.083 11.654 -2.779 676 HH22 ARG 82 1HH1 ARG 82 -5.604 10.978 -2.228 677 H LEU 83 H LEU 83 -3.660 6.845 -7.260 678 HA LEU 83 HA LEU 83 -2.636 7.762 -9.851 679 HB2 LEU 83 2HB LEU 83 -4.977 7.694 -10.552 680 HB3 LEU 83 3HB LEU 83 -4.396 6.130 -10.017 681 HG LEU 83 HG LEU 83 -5.973 7.866 -8.078 682 HD11 LEU 83 1HD1 LEU 83 -8.048 6.875 -8.936 683 HD12 LEU 83 2HD1 LEU 83 -7.265 7.834 -10.181 684 HD13 LEU 83 3HD1 LEU 83 -7.146 6.060 -10.242 685 HD21 LEU 83 3HD2 LEU 83 -6.842 5.619 -7.374 686 HD22 LEU 83 1HD2 LEU 83 -5.700 4.864 -8.514 687 HD23 LEU 83 2HD2 LEU 83 -5.122 5.766 -7.108 688 H ASP 84 H ASP 84 -2.829 9.879 -10.544 689 HA ASP 84 HA ASP 84 -2.935 11.979 -8.730 690 HB2 ASP 84 2HB ASP 84 -2.939 11.682 -11.677 691 HB3 ASP 84 3HB ASP 84 -3.716 13.162 -11.110 692 HA PRO 85 HA PRO 85 -7.446 12.994 -9.623 693 HB2 PRO 85 2HB PRO 85 -9.080 11.378 -11.119 694 HB3 PRO 85 3HB PRO 85 -8.014 12.624 -11.846 695 HG2 PRO 85 2HG PRO 85 -7.478 9.659 -11.547 696 HG3 PRO 85 3HG PRO 85 -7.267 10.676 -13.005 697 HD2 PRO 85 2HD PRO 85 -5.196 10.057 -11.345 698 HD3 PRO 85 3HD PRO 85 -5.301 11.651 -12.153 699 H LEU 86 H LEU 86 -9.359 12.382 -8.399 700 HA LEU 86 HA LEU 86 -8.650 10.678 -6.294 701 HB2 LEU 86 2HB LEU 86 -10.701 11.225 -5.280 702 HB3 LEU 86 3HB LEU 86 -10.215 12.647 -6.155 703 HG LEU 86 HG LEU 86 -12.170 10.684 -7.439 704 HD11 LEU 86 1HD1 LEU 86 -13.039 11.034 -5.204 705 HD12 LEU 86 2HD1 LEU 86 -12.835 12.796 -5.360 706 HD13 LEU 86 3HD1 LEU 86 -14.011 11.928 -6.377 707 HD21 LEU 86 3HD2 LEU 86 -13.055 12.781 -8.425 708 HD22 LEU 86 1HD2 LEU 86 -11.812 13.715 -7.569 709 HD23 LEU 86 2HD2 LEU 86 -11.358 12.543 -8.837 710 HA PRO 87 HA PRO 87 -9.981 6.715 -7.588 711 HB2 PRO 87 2HB PRO 87 -10.558 5.455 -5.213 712 HB3 PRO 87 3HB PRO 87 -8.899 5.883 -5.724 713 HG2 PRO 87 2HG PRO 87 -10.645 7.250 -3.700 714 HG3 PRO 87 3HG PRO 87 -8.859 7.116 -3.753 715 HD2 PRO 87 2HD PRO 87 -10.364 9.321 -4.537 716 HD3 PRO 87 3HD PRO 87 -8.638 9.026 -4.924 717 H GLU 88 H GLU 88 -11.845 5.720 -8.313 718 HA GLU 88 HA GLU 88 -14.342 7.123 -7.759 719 HB2 GLU 88 2HB GLU 88 -13.302 6.527 -10.015 720 HB3 GLU 88 3HB GLU 88 -13.790 4.857 -9.709 721 HG2 GLU 88 2HG GLU 88 -16.147 5.502 -9.710 722 HG3 GLU 88 3HG GLU 88 -15.716 7.217 -9.676 723 H ASN 89 H ASN 89 -13.704 5.831 -5.467 724 HA ASN 89 HA ASN 89 -14.358 4.327 -3.889 725 HB2 ASN 89 2HB ASN 89 -16.778 3.834 -5.662 726 HB3 ASN 89 3HB ASN 89 -16.637 3.533 -3.947 727 HD21 ASN 89 1HD2 ASN 89 -17.520 5.854 -6.330 728 HD22 ASN 89 2HD2 ASN 89 -17.757 7.200 -5.216 729 H ILE 90 H ILE 90 -12.469 3.095 -5.458 730 HA ILE 90 HA ILE 90 -13.657 0.516 -6.257 731 HB ILE 90 HB ILE 90 -10.879 1.735 -6.449 732 HG12 ILE 90 2HG1 ILE 90 -11.340 0.855 -8.921 733 HG13 ILE 90 3HG1 ILE 90 -13.022 0.829 -8.403 734 HG21 ILE 90 1HG2 ILE 90 -10.058 -0.357 -7.513 735 HG22 ILE 90 2HG2 ILE 90 -10.468 -0.611 -5.828 736 HG23 ILE 90 3HG2 ILE 90 -11.586 -1.163 -7.090 737 HD11 ILE 90 3HD1 ILE 90 -12.418 2.917 -9.573 738 HD12 ILE 90 1HD1 ILE 90 -12.888 3.246 -7.901 739 HD13 ILE 90 2HD1 ILE 90 -11.178 3.266 -8.351 740 H ASP 91 H ASP 91 -13.442 -1.455 -5.082 741 HA ASP 91 HA ASP 91 -11.634 -1.749 -2.885 742 HB2 ASP 91 2HB ASP 91 -13.293 -0.460 -1.678 743 HB3 ASP 91 3HB ASP 91 -14.617 -1.395 -2.373 Start of MODEL 28 1 H1 MET 1 H1 MET 1 -3.536 -19.616 -0.462 2 H2 MET 1 H2 MET 1 -3.421 -18.398 0.653 3 H3 MET 1 H3 MET 1 -4.177 -18.135 -0.784 4 HA MET 1 HA MET 1 -2.062 -17.111 -0.813 5 HB2 MET 1 2HB MET 1 -0.028 -18.470 -0.743 6 HB3 MET 1 3HB MET 1 -0.889 -18.470 0.791 7 HG2 MET 1 2HG MET 1 -1.224 -20.704 0.766 8 HG3 MET 1 3HG MET 1 -1.669 -20.741 -0.935 9 HE1 MET 1 1HE MET 1 -0.592 -23.097 -1.080 10 HE2 MET 1 2HE MET 1 1.129 -23.446 -0.800 11 HE3 MET 1 3HE MET 1 0.066 -23.075 0.576 12 H SER 2 H SER 2 -3.472 -16.938 -2.789 13 HA SER 2 HA SER 2 -1.901 -17.859 -4.975 14 HB2 SER 2 2HB SER 2 -3.453 -19.872 -4.583 15 HB3 SER 2 3HB SER 2 -4.805 -18.796 -4.996 16 HG SER 2 HG SER 2 -2.701 -19.770 -6.584 17 H GLU 3 H GLU 3 -3.816 -17.164 -7.003 18 HA GLU 3 HA GLU 3 -3.612 -14.332 -6.735 19 HB2 GLU 3 2HB GLU 3 -3.672 -15.868 -8.853 20 HB3 GLU 3 3HB GLU 3 -5.427 -15.629 -8.780 21 HG2 GLU 3 2HG GLU 3 -5.164 -13.225 -9.012 22 HG3 GLU 3 3HG GLU 3 -3.433 -13.323 -8.668 23 H GLU 4 H GLU 4 -6.180 -16.484 -5.759 24 HA GLU 4 HA GLU 4 -8.233 -14.550 -5.358 25 HB2 GLU 4 2HB GLU 4 -7.330 -16.953 -3.715 26 HB3 GLU 4 3HB GLU 4 -8.815 -16.054 -3.376 27 HG2 GLU 4 2HG GLU 4 -9.847 -16.736 -5.399 28 HG3 GLU 4 3HG GLU 4 -8.316 -17.270 -6.114 29 H THR 5 H THR 5 -5.558 -15.581 -3.167 30 HA THR 5 HA THR 5 -6.157 -13.681 -1.118 31 HB THR 5 HB THR 5 -3.416 -14.790 -1.773 32 HG1 THR 5 1HG THR 5 -5.654 -16.092 -0.674 33 HG21 THR 5 1HG2 THR 5 -3.534 -13.237 0.128 34 HG22 THR 5 2HG2 THR 5 -4.839 -14.188 0.861 35 HG23 THR 5 3HG2 THR 5 -3.207 -14.875 0.710 36 H SER 6 H SER 6 -3.832 -13.662 -3.858 37 HA SER 6 HA SER 6 -2.597 -11.238 -3.160 38 HB2 SER 6 2HB SER 6 -1.771 -12.980 -4.827 39 HB3 SER 6 3HB SER 6 -2.932 -12.304 -5.989 40 HG SER 6 HG SER 6 -1.835 -10.223 -5.514 41 H THR 7 H THR 7 -5.460 -11.876 -5.165 42 HA THR 7 HA THR 7 -5.726 -9.077 -5.859 43 HB THR 7 HB THR 7 -7.688 -11.400 -6.163 44 HG1 THR 7 1HG THR 7 -6.074 -11.849 -7.467 45 HG21 THR 7 1HG2 THR 7 -8.712 -9.987 -7.944 46 HG22 THR 7 2HG2 THR 7 -8.904 -9.272 -6.337 47 HG23 THR 7 3HG2 THR 7 -7.669 -8.635 -7.453 48 H GLN 8 H GLN 8 -7.045 -11.164 -3.335 49 HA GLN 8 HA GLN 8 -9.114 -9.351 -2.433 50 HB2 GLN 8 2HB GLN 8 -7.458 -11.564 -1.161 51 HB3 GLN 8 3HB GLN 8 -8.574 -10.616 -0.199 52 HG2 GLN 8 2HG GLN 8 -9.607 -11.856 -2.753 53 HG3 GLN 8 3HG GLN 8 -9.304 -12.900 -1.358 54 HE21 GLN 8 1HE2 GLN 8 -11.551 -13.379 -0.973 55 HE22 GLN 8 2HE2 GLN 8 -12.608 -12.114 -0.358 56 H ILE 9 H ILE 9 -5.634 -9.687 -1.903 57 HA ILE 9 HA ILE 9 -5.743 -7.704 0.245 58 HB ILE 9 HB ILE 9 -4.367 -9.890 0.108 59 HG12 ILE 9 2HG1 ILE 9 -3.087 -7.297 1.059 60 HG13 ILE 9 3HG1 ILE 9 -4.390 -8.134 1.910 61 HG21 ILE 9 1HG2 ILE 9 -3.122 -9.381 -1.966 62 HG22 ILE 9 2HG2 ILE 9 -2.352 -8.011 -1.134 63 HG23 ILE 9 3HG2 ILE 9 -2.051 -9.677 -0.606 64 HD11 ILE 9 3HD1 ILE 9 -2.817 -10.208 1.896 65 HD12 ILE 9 1HD1 ILE 9 -1.525 -9.038 1.524 66 HD13 ILE 9 2HD1 ILE 9 -2.482 -8.878 3.014 67 H LEU 10 H LEU 10 -4.748 -7.974 -3.069 68 HA LEU 10 HA LEU 10 -3.439 -5.435 -3.340 69 HB2 LEU 10 2HB LEU 10 -3.561 -7.318 -5.057 70 HB3 LEU 10 3HB LEU 10 -5.189 -6.757 -5.438 71 HG LEU 10 HG LEU 10 -2.465 -5.675 -6.036 72 HD11 LEU 10 1HD1 LEU 10 -5.136 -5.798 -7.504 73 HD12 LEU 10 2HD1 LEU 10 -3.598 -5.246 -8.206 74 HD13 LEU 10 3HD1 LEU 10 -3.772 -6.914 -7.670 75 HD21 LEU 10 3HD2 LEU 10 -3.277 -3.752 -4.833 76 HD22 LEU 10 1HD2 LEU 10 -3.328 -3.404 -6.532 77 HD23 LEU 10 2HD2 LEU 10 -4.829 -3.802 -5.714 78 H LYS 11 H LYS 11 -6.910 -6.313 -3.839 79 HA LYS 11 HA LYS 11 -7.887 -3.646 -4.111 80 HB2 LYS 11 2HB LYS 11 -9.003 -6.316 -3.161 81 HB3 LYS 11 3HB LYS 11 -9.885 -4.861 -2.695 82 HG2 LYS 11 2HG LYS 11 -10.787 -5.766 -4.737 83 HG3 LYS 11 3HG LYS 11 -10.105 -4.133 -4.925 84 HD2 LYS 11 2HD LYS 11 -8.116 -5.112 -6.048 85 HD3 LYS 11 3HD LYS 11 -8.790 -6.742 -5.810 86 HE2 LYS 11 2HE LYS 11 -9.239 -5.800 -8.095 87 HE3 LYS 11 3HE LYS 11 -10.704 -6.230 -7.192 88 HZ1 LYS 11 3HZ LYS 11 -11.119 -4.019 -6.693 89 HZ2 LYS 11 1HZ LYS 11 -9.666 -3.457 -7.131 90 HZ3 LYS 11 2HZ LYS 11 -10.778 -3.979 -8.272 91 H GLN 12 H GLN 12 -7.273 -5.640 -1.305 92 HA GLN 12 HA GLN 12 -8.128 -3.709 0.620 93 HB2 GLN 12 2HB GLN 12 -7.428 -6.250 0.947 94 HB3 GLN 12 3HB GLN 12 -5.846 -5.566 1.286 95 HG2 GLN 12 2HG GLN 12 -7.028 -5.868 3.364 96 HG3 GLN 12 3HG GLN 12 -6.866 -4.137 3.057 97 HE21 GLN 12 1HE2 GLN 12 -9.363 -6.141 1.334 98 HE22 GLN 12 2HE2 GLN 12 -10.677 -5.371 2.189 99 H VAL 13 H VAL 13 -5.136 -3.815 -1.301 100 HA VAL 13 HA VAL 13 -3.715 -2.029 0.501 101 HB VAL 13 HB VAL 13 -3.063 -3.746 -1.696 102 HG11 VAL 13 1HG1 VAL 13 -3.209 -1.828 -3.254 103 HG12 VAL 13 2HG1 VAL 13 -2.083 -0.920 -2.205 104 HG13 VAL 13 3HG1 VAL 13 -1.553 -2.396 -3.039 105 HG21 VAL 13 3HG2 VAL 13 -1.864 -3.553 0.421 106 HG22 VAL 13 1HG2 VAL 13 -0.772 -3.301 -0.947 107 HG23 VAL 13 2HG2 VAL 13 -1.343 -1.903 -0.008 108 H GLU 14 H GLU 14 -5.646 -1.796 -2.508 109 HA GLU 14 HA GLU 14 -5.141 1.035 -2.705 110 HB2 GLU 14 2HB GLU 14 -6.271 1.012 -4.663 111 HB3 GLU 14 3HB GLU 14 -5.642 -0.628 -4.550 112 HG2 GLU 14 2HG GLU 14 -8.040 -1.247 -3.699 113 HG3 GLU 14 3HG GLU 14 -8.502 0.318 -4.368 114 H TYR 15 H TYR 15 -7.437 -0.893 -0.896 115 HA TYR 15 HA TYR 15 -9.461 0.968 -0.461 116 HB2 TYR 15 2HB TYR 15 -10.133 -0.952 0.461 117 HB3 TYR 15 3HB TYR 15 -8.506 -1.512 0.760 118 HD1 TYR 15 HD2 TYR 15 -11.304 0.451 2.222 119 HD2 TYR 15 HD1 TYR 15 -7.388 -1.233 2.848 120 HE1 TYR 15 HE2 TYR 15 -11.489 0.914 4.634 121 HE2 TYR 15 HE1 TYR 15 -7.549 -0.825 5.215 122 HH TYR 15 HH TYR 15 -10.397 0.883 6.651 123 H TYR 16 H TYR 16 -6.292 0.693 1.258 124 HA TYR 16 HA TYR 16 -6.891 2.666 3.209 125 HB2 TYR 16 2HB TYR 16 -4.188 2.052 1.987 126 HB3 TYR 16 3HB TYR 16 -4.475 2.946 3.474 127 HD1 TYR 16 HD2 TYR 16 -5.345 1.811 5.514 128 HD2 TYR 16 HD1 TYR 16 -4.434 -0.346 1.901 129 HE1 TYR 16 HE2 TYR 16 -5.213 -0.308 6.810 130 HE2 TYR 16 HE1 TYR 16 -4.463 -2.453 3.143 131 HH TYR 16 HH TYR 16 -4.728 -3.459 5.178 132 H PHE 17 H PHE 17 -6.005 3.127 -0.181 133 HA PHE 17 HA PHE 17 -5.818 6.062 0.280 134 HB2 PHE 17 2HB PHE 17 -4.868 4.243 -1.943 135 HB3 PHE 17 3HB PHE 17 -5.016 5.984 -2.170 136 HD1 PHE 17 1HD PHE 17 -3.303 3.370 -0.120 137 HD2 PHE 17 2HD PHE 17 -3.457 7.541 -1.220 138 HE1 PHE 17 1HE PHE 17 -1.198 3.785 1.119 139 HE2 PHE 17 2HE PHE 17 -1.349 7.945 0.012 140 HZ PHE 17 HZ PHE 17 -0.227 6.077 1.205 141 H SER 18 H SER 18 -8.076 3.713 -0.697 142 HA SER 18 HA SER 18 -9.528 5.431 -2.551 143 HB2 SER 18 2HB SER 18 -9.109 3.029 -2.993 144 HB3 SER 18 3HB SER 18 -10.143 2.639 -1.602 145 HG SER 18 HG SER 18 -11.448 2.590 -3.290 146 H ASP 19 H ASP 19 -9.781 4.184 0.705 147 HA ASP 19 HA ASP 19 -12.523 4.936 1.202 148 HB2 ASP 19 2HB ASP 19 -11.208 2.953 2.017 149 HB3 ASP 19 3HB ASP 19 -10.208 4.052 2.969 150 H SER 20 H SER 20 -10.222 6.977 0.592 151 HA SER 20 HA SER 20 -9.202 8.842 1.394 152 HB2 SER 20 2HB SER 20 -11.950 9.220 2.627 153 HB3 SER 20 3HB SER 20 -10.733 10.495 2.388 154 HG SER 20 HG SER 20 -11.893 8.861 0.371 155 H ASN 21 H ASN 21 -8.951 6.374 3.175 156 HA ASN 21 HA ASN 21 -8.746 7.638 5.790 157 HB2 ASN 21 2HB ASN 21 -8.906 4.932 4.879 158 HB3 ASN 21 3HB ASN 21 -7.353 5.110 5.705 159 HD21 ASN 21 1HD2 ASN 21 -8.079 3.798 7.536 160 HD22 ASN 21 2HD2 ASN 21 -9.311 4.444 8.616 161 H PHE 22 H PHE 22 -6.573 7.306 3.012 162 HA PHE 22 HA PHE 22 -4.136 7.520 4.358 163 HB2 PHE 22 2HB PHE 22 -3.771 7.082 2.192 164 HB3 PHE 22 3HB PHE 22 -5.220 7.932 1.665 165 HD1 PHE 22 1HD PHE 22 -1.968 8.979 3.307 166 HD2 PHE 22 2HD PHE 22 -4.896 9.626 0.220 167 HE1 PHE 22 1HE PHE 22 -0.767 11.002 2.585 168 HE2 PHE 22 2HE PHE 22 -3.774 11.695 -0.413 169 HZ PHE 22 HZ PHE 22 -1.644 12.390 0.707 170 HA PRO 23 HA PRO 23 -4.405 12.146 4.410 171 HB2 PRO 23 2HB PRO 23 -6.767 13.542 4.159 172 HB3 PRO 23 3HB PRO 23 -5.709 13.116 2.770 173 HG2 PRO 23 2HG PRO 23 -8.143 11.621 3.792 174 HG3 PRO 23 3HG PRO 23 -7.778 12.107 2.102 175 HD2 PRO 23 2HD PRO 23 -7.214 9.606 2.976 176 HD3 PRO 23 3HD PRO 23 -6.106 10.469 1.893 177 H ARG 24 H ARG 24 -6.735 9.994 5.843 178 HA ARG 24 HA ARG 24 -7.105 11.777 8.164 179 HB2 ARG 24 2HB ARG 24 -9.029 10.659 7.027 180 HB3 ARG 24 3HB ARG 24 -8.394 9.085 7.518 181 HG2 ARG 24 2HG ARG 24 -8.767 11.221 9.615 182 HG3 ARG 24 3HG ARG 24 -10.212 10.453 8.961 183 HD2 ARG 24 2HD ARG 24 -9.842 8.472 9.957 184 HD3 ARG 24 3HD ARG 24 -8.095 8.508 9.693 185 HE ARG 24 HE ARG 24 -8.094 10.298 11.511 186 HH11 ARG 24 2HH2 ARG 24 -9.955 7.304 11.511 187 HH12 ARG 24 1HH2 ARG 24 -10.074 7.166 13.229 188 HH21 ARG 24 2HH1 ARG 24 -8.339 10.216 13.830 189 HH22 ARG 24 1HH1 ARG 24 -9.103 8.862 14.580 190 H ASP 25 H ASP 25 -5.005 9.146 7.224 191 HA ASP 25 HA ASP 25 -4.386 8.817 10.120 192 HB2 ASP 25 2HB ASP 25 -5.124 6.761 8.856 193 HB3 ASP 25 3HB ASP 25 -3.600 6.870 7.966 194 H LYS 26 H LYS 26 -2.886 10.103 10.629 195 HA LYS 26 HA LYS 26 -0.801 11.258 9.235 196 HB2 LYS 26 2HB LYS 26 0.375 11.585 11.291 197 HB3 LYS 26 3HB LYS 26 -1.338 11.883 11.544 198 HG2 LYS 26 2HG LYS 26 -0.196 9.150 12.212 199 HG3 LYS 26 3HG LYS 26 0.137 10.499 13.274 200 HD2 LYS 26 2HD LYS 26 -2.114 10.842 13.834 201 HD3 LYS 26 3HD LYS 26 -2.731 9.851 12.513 202 HE2 LYS 26 2HE LYS 26 -1.033 8.737 14.775 203 HE3 LYS 26 3HE LYS 26 -2.802 8.782 14.803 204 HZ1 LYS 26 3HZ LYS 26 -2.045 6.652 13.994 205 HZ2 LYS 26 1HZ LYS 26 -2.791 7.439 12.759 206 HZ3 LYS 26 2HZ LYS 26 -1.198 7.351 12.767 207 H PHE 27 H PHE 27 -0.971 7.905 10.197 208 HA PHE 27 HA PHE 27 1.790 7.190 10.057 209 HB2 PHE 27 2HB PHE 27 -0.144 5.876 11.039 210 HB3 PHE 27 3HB PHE 27 -0.733 5.587 9.410 211 HD1 PHE 27 1HD PHE 27 2.724 5.429 10.936 212 HD2 PHE 27 2HD PHE 27 -0.458 3.296 8.940 213 HE1 PHE 27 1HE PHE 27 4.099 3.409 10.915 214 HE2 PHE 27 2HE PHE 27 0.935 1.245 8.938 215 HZ PHE 27 HZ PHE 27 3.208 1.286 9.949 216 H LEU 28 H LEU 28 -0.867 7.182 7.648 217 HA LEU 28 HA LEU 28 0.881 6.262 5.501 218 HB2 LEU 28 2HB LEU 28 -1.830 7.627 5.543 219 HB3 LEU 28 3HB LEU 28 -0.997 7.154 4.051 220 HG LEU 28 HG LEU 28 -1.246 5.073 6.200 221 HD11 LEU 28 1HD1 LEU 28 -3.500 4.549 5.855 222 HD12 LEU 28 2HD1 LEU 28 -3.530 6.269 5.885 223 HD13 LEU 28 3HD1 LEU 28 -3.585 5.433 4.314 224 HD21 LEU 28 3HD2 LEU 28 -0.640 3.701 4.475 225 HD22 LEU 28 1HD2 LEU 28 -1.796 4.460 3.347 226 HD23 LEU 28 2HD2 LEU 28 -0.190 5.159 3.638 227 H ARG 29 H ARG 29 -0.386 9.380 6.586 228 HA ARG 29 HA ARG 29 0.662 10.958 4.495 229 HB2 ARG 29 2HB ARG 29 0.036 11.741 7.345 230 HB3 ARG 29 3HB ARG 29 0.371 12.891 6.042 231 HG2 ARG 29 2HG ARG 29 -1.570 12.213 4.786 232 HG3 ARG 29 3HG ARG 29 -1.793 10.780 5.786 233 HD2 ARG 29 2HD ARG 29 -3.424 12.196 6.536 234 HD3 ARG 29 3HD ARG 29 -2.178 12.323 7.770 235 HE ARG 29 HE ARG 29 -1.751 14.358 5.837 236 HH11 ARG 29 2HH2 ARG 29 -4.337 13.502 8.032 237 HH12 ARG 29 1HH2 ARG 29 -4.558 15.068 8.719 238 HH21 ARG 29 2HH1 ARG 29 -2.284 16.567 6.423 239 HH22 ARG 29 1HH1 ARG 29 -3.485 16.875 7.623 240 H SER 30 H SER 30 2.288 9.709 7.400 241 HA SER 30 HA SER 30 4.607 11.382 7.232 242 HB2 SER 30 2HB SER 30 4.186 9.906 9.160 243 HB3 SER 30 3HB SER 30 4.161 8.476 8.117 244 HG SER 30 HG SER 30 6.243 8.448 7.987 245 H GLU 31 H GLU 31 3.898 8.173 5.712 246 HA GLU 31 HA GLU 31 6.504 8.324 4.396 247 HB2 GLU 31 2HB GLU 31 4.292 6.363 4.721 248 HB3 GLU 31 3HB GLU 31 5.098 6.298 3.158 249 HG2 GLU 31 2HG GLU 31 6.110 4.816 4.961 250 HG3 GLU 31 3HG GLU 31 7.200 5.857 4.055 251 H ALA 32 H ALA 32 3.169 8.946 3.490 252 HA ALA 32 HA ALA 32 3.539 9.355 0.694 253 HB1 ALA 32 1HB ALA 32 1.357 8.976 1.766 254 HB2 ALA 32 2HB ALA 32 1.540 10.499 2.669 255 HB3 ALA 32 3HB ALA 32 1.350 10.529 0.919 256 H ALA 33 H ALA 33 4.082 11.430 3.552 257 HA ALA 33 HA ALA 33 4.350 13.891 2.167 258 HB1 ALA 33 1HB ALA 33 5.620 14.580 4.248 259 HB2 ALA 33 2HB ALA 33 3.994 13.944 4.522 260 HB3 ALA 33 3HB ALA 33 5.402 12.924 4.862 261 H LYS 34 H LYS 34 6.426 11.129 1.925 262 HA LYS 34 HA LYS 34 8.772 12.808 1.390 263 HB2 LYS 34 2HB LYS 34 8.269 9.948 1.836 264 HB3 LYS 34 3HB LYS 34 9.229 10.209 0.385 265 HG2 LYS 34 2HG LYS 34 10.752 10.024 2.243 266 HG3 LYS 34 3HG LYS 34 10.743 11.710 1.709 267 HD2 LYS 34 2HD LYS 34 8.846 11.956 3.583 268 HD3 LYS 34 3HD LYS 34 9.575 10.486 4.227 269 HE2 LYS 34 2HE LYS 34 10.999 13.114 3.594 270 HE3 LYS 34 3HE LYS 34 10.512 12.581 5.208 271 HZ1 LYS 34 3HZ LYS 34 12.015 10.723 4.999 272 HZ2 LYS 34 1HZ LYS 34 12.452 11.181 3.478 273 HZ3 LYS 34 2HZ LYS 34 12.838 12.130 4.765 274 H ASN 35 H ASN 35 5.984 12.040 -0.391 275 HA ASN 35 HA ASN 35 6.680 13.843 -2.369 276 HB2 ASN 35 2HB ASN 35 7.231 10.995 -3.199 277 HB3 ASN 35 3HB ASN 35 6.492 12.103 -4.364 278 HD21 ASN 35 1HD2 ASN 35 9.399 10.873 -3.955 279 HD22 ASN 35 2HD2 ASN 35 10.313 12.302 -4.415 280 H VAL 36 H VAL 36 4.654 14.240 -1.126 281 HA VAL 36 HA VAL 36 2.473 14.640 -1.137 282 HB VAL 36 HB VAL 36 2.791 13.782 -4.016 283 HG11 VAL 36 1HG1 VAL 36 0.593 14.887 -4.428 284 HG12 VAL 36 2HG1 VAL 36 0.447 13.379 -3.534 285 HG13 VAL 36 3HG1 VAL 36 0.314 14.930 -2.670 286 HG21 VAL 36 3HG2 VAL 36 3.934 15.855 -3.288 287 HG22 VAL 36 1HG2 VAL 36 2.617 16.188 -4.420 288 HG23 VAL 36 2HG2 VAL 36 2.385 16.487 -2.685 289 H ASP 37 H ASP 37 2.383 11.675 -3.123 290 HA ASP 37 HA ASP 37 1.926 9.882 -1.043 291 HB2 ASP 37 2HB ASP 37 -0.242 9.192 -1.806 292 HB3 ASP 37 3HB ASP 37 -0.255 10.712 -0.918 293 H ASN 38 H ASN 38 3.784 10.256 -3.047 294 HA ASN 38 HA ASN 38 3.348 8.013 -4.935 295 HB2 ASN 38 2HB ASN 38 5.483 10.178 -4.906 296 HB3 ASN 38 3HB ASN 38 5.346 8.898 -6.105 297 HD21 ASN 38 1HD2 ASN 38 4.878 12.099 -5.930 298 HD22 ASN 38 2HD2 ASN 38 3.490 12.212 -7.001 299 H TYR 39 H TYR 39 4.564 8.543 -1.868 300 HA TYR 39 HA TYR 39 6.622 6.445 -2.149 301 HB2 TYR 39 2HB TYR 39 6.897 9.190 -1.014 302 HB3 TYR 39 3HB TYR 39 7.426 7.893 0.038 303 HD1 TYR 39 HD1 TYR 39 7.754 8.655 -3.659 304 HD2 TYR 39 HD2 TYR 39 9.687 7.424 -0.008 305 HE1 TYR 39 HE1 TYR 39 9.934 8.527 -4.852 306 HE2 TYR 39 HE2 TYR 39 11.850 7.290 -1.185 307 HH TYR 39 HH TYR 39 12.970 7.590 -3.227 308 H ILE 40 H ILE 40 5.901 4.722 -1.015 309 HA ILE 40 HA ILE 40 4.589 5.191 1.538 310 HB ILE 40 HB ILE 40 3.290 3.231 -0.338 311 HG12 ILE 40 2HG1 ILE 40 2.173 6.014 0.185 312 HG13 ILE 40 3HG1 ILE 40 3.064 5.646 -1.289 313 HG21 ILE 40 1HG2 ILE 40 3.050 3.018 2.126 314 HG22 ILE 40 2HG2 ILE 40 2.361 4.653 2.188 315 HG23 ILE 40 3HG2 ILE 40 1.502 3.348 1.342 316 HD11 ILE 40 3HD1 ILE 40 1.462 4.163 -2.124 317 HD12 ILE 40 1HD1 ILE 40 0.612 4.058 -0.575 318 HD13 ILE 40 2HD1 ILE 40 0.590 5.566 -1.528 319 H SER 41 H SER 41 6.086 4.045 2.832 320 HA SER 41 HA SER 41 7.781 2.137 1.515 321 HB2 SER 41 2HB SER 41 8.078 3.670 3.748 322 HB3 SER 41 3HB SER 41 7.681 2.105 4.487 323 HG SER 41 HG SER 41 9.648 1.520 3.962 324 H ILE 42 H ILE 42 7.663 -0.081 1.526 325 HA ILE 42 HA ILE 42 5.214 -1.411 2.109 326 HB ILE 42 HB ILE 42 6.766 -2.299 0.527 327 HG12 ILE 42 2HG1 ILE 42 6.675 -4.360 2.718 328 HG13 ILE 42 3HG1 ILE 42 5.199 -3.772 1.930 329 HG21 ILE 42 1HG2 ILE 42 8.917 -3.343 1.193 330 HG22 ILE 42 2HG2 ILE 42 8.925 -1.656 1.689 331 HG23 ILE 42 3HG2 ILE 42 8.620 -2.920 2.888 332 HD11 ILE 42 3HD1 ILE 42 6.234 -5.851 0.895 333 HD12 ILE 42 1HD1 ILE 42 5.908 -4.522 -0.223 334 HD13 ILE 42 2HD1 ILE 42 7.562 -4.837 0.328 335 H ASP 43 H ASP 43 7.709 -0.285 4.280 336 HA ASP 43 HA ASP 43 7.186 -2.074 6.423 337 HB2 ASP 43 2HB ASP 43 7.961 0.865 6.585 338 HB3 ASP 43 3HB ASP 43 8.211 -0.376 7.822 339 H VAL 44 H VAL 44 5.507 0.966 5.367 340 HA VAL 44 HA VAL 44 3.900 1.194 7.725 341 HB VAL 44 HB VAL 44 4.239 2.503 5.047 342 HG11 VAL 44 1HG1 VAL 44 2.183 3.831 5.295 343 HG12 VAL 44 2HG1 VAL 44 1.903 2.144 4.863 344 HG13 VAL 44 3HG1 VAL 44 1.617 2.687 6.540 345 HG21 VAL 44 3HG2 VAL 44 5.301 3.337 7.137 346 HG22 VAL 44 1HG2 VAL 44 4.207 4.525 6.402 347 HG23 VAL 44 2HG2 VAL 44 3.680 3.615 7.816 348 H ILE 45 H ILE 45 3.452 -0.042 4.398 349 HA ILE 45 HA ILE 45 0.723 -0.820 4.883 350 HB ILE 45 HB ILE 45 2.635 -1.907 2.807 351 HG12 ILE 45 2HG1 ILE 45 0.801 0.343 2.008 352 HG13 ILE 45 3HG1 ILE 45 2.199 0.817 2.952 353 HG21 ILE 45 1HG2 ILE 45 0.630 -2.226 1.412 354 HG22 ILE 45 2HG2 ILE 45 0.416 -3.024 2.972 355 HG23 ILE 45 3HG2 ILE 45 -0.392 -1.486 2.665 356 HD11 ILE 45 3HD1 ILE 45 2.432 -0.891 0.449 357 HD12 ILE 45 1HD1 ILE 45 2.556 0.878 0.461 358 HD13 ILE 45 2HD1 ILE 45 3.738 -0.090 1.341 359 H ALA 46 H ALA 46 3.808 -2.611 5.086 360 HA ALA 46 HA ALA 46 2.533 -5.121 5.670 361 HB1 ALA 46 1HB ALA 46 4.750 -5.826 6.479 362 HB2 ALA 46 2HB ALA 46 4.905 -4.979 4.928 363 HB3 ALA 46 3HB ALA 46 5.321 -4.145 6.444 364 H SER 47 H SER 47 3.312 -2.231 7.568 365 HA SER 47 HA SER 47 2.683 -3.675 10.074 366 HB2 SER 47 2HB SER 47 4.741 -2.235 9.734 367 HB3 SER 47 3HB SER 47 3.654 -0.832 9.738 368 HG SER 47 HG SER 47 4.441 -1.239 11.806 369 H PHE 48 H PHE 48 0.713 -2.522 7.778 370 HA PHE 48 HA PHE 48 -0.935 -0.716 9.212 371 HB2 PHE 48 2HB PHE 48 -0.996 -2.220 6.711 372 HB3 PHE 48 3HB PHE 48 -2.599 -2.174 7.385 373 HD1 PHE 48 1HD PHE 48 -2.413 0.718 8.576 374 HD2 PHE 48 2HD PHE 48 -1.422 -1.125 4.797 375 HE1 PHE 48 1HE PHE 48 -2.869 2.845 7.408 376 HE2 PHE 48 2HE PHE 48 -1.833 1.019 3.637 377 HZ PHE 48 HZ PHE 48 -2.636 2.938 4.907 378 H ASN 49 H ASN 49 -0.324 -3.407 10.708 379 HA ASN 49 HA ASN 49 -1.293 -5.056 11.864 380 HB2 ASN 49 2HB ASN 49 -3.253 -2.794 12.265 381 HB3 ASN 49 3HB ASN 49 -3.654 -4.405 12.860 382 HD21 ASN 49 1HD2 ASN 49 -2.437 -1.620 14.085 383 HD22 ASN 49 2HD2 ASN 49 -1.321 -2.342 15.231 384 H ARG 50 H ARG 50 -4.366 -3.907 10.445 385 HA ARG 50 HA ARG 50 -5.346 -6.518 10.042 386 HB2 ARG 50 2HB ARG 50 -7.132 -5.553 8.820 387 HB3 ARG 50 3HB ARG 50 -6.667 -4.353 10.035 388 HG2 ARG 50 2HG ARG 50 -5.269 -3.221 8.232 389 HG3 ARG 50 3HG ARG 50 -5.958 -4.390 7.079 390 HD2 ARG 50 2HD ARG 50 -7.109 -2.326 6.853 391 HD3 ARG 50 3HD ARG 50 -8.213 -3.517 7.509 392 HE ARG 50 HE ARG 50 -7.013 -1.161 8.835 393 HH11 ARG 50 2HH2 ARG 50 -9.214 -3.911 9.117 394 HH12 ARG 50 1HH2 ARG 50 -9.978 -3.365 10.566 395 HH21 ARG 50 2HH1 ARG 50 -8.017 -0.401 10.771 396 HH22 ARG 50 1HH1 ARG 50 -9.276 -1.310 11.523 397 H MET 51 H MET 51 -3.360 -4.503 7.892 398 HA MET 51 HA MET 51 -3.455 -6.270 5.629 399 HB2 MET 51 2HB MET 51 -2.566 -3.954 5.467 400 HB3 MET 51 3HB MET 51 -1.249 -4.397 6.570 401 HG2 MET 51 2HG MET 51 -0.587 -4.408 4.175 402 HG3 MET 51 3HG MET 51 -0.321 -5.941 4.981 403 HE1 MET 51 3HE MET 51 -2.533 -3.847 2.633 404 HE2 MET 51 1HE MET 51 -3.561 -5.040 1.804 405 HE3 MET 51 2HE MET 51 -3.887 -4.623 3.498 406 H LYS 52 H LYS 52 -1.178 -5.996 8.421 407 HA LYS 52 HA LYS 52 0.606 -7.987 7.542 408 HB2 LYS 52 2HB LYS 52 0.725 -6.261 9.548 409 HB3 LYS 52 3HB LYS 52 0.025 -7.570 10.492 410 HG2 LYS 52 2HG LYS 52 1.880 -9.061 9.906 411 HG3 LYS 52 3HG LYS 52 2.508 -7.889 8.733 412 HD2 LYS 52 2HD LYS 52 2.887 -6.258 10.584 413 HD3 LYS 52 3HD LYS 52 2.401 -7.493 11.754 414 HE2 LYS 52 2HE LYS 52 4.703 -7.724 9.753 415 HE3 LYS 52 3HE LYS 52 4.885 -7.271 11.452 416 HZ1 LYS 52 3HZ LYS 52 3.958 -9.433 12.045 417 HZ2 LYS 52 1HZ LYS 52 3.877 -9.860 10.456 418 HZ3 LYS 52 2HZ LYS 52 5.337 -9.587 11.161 419 H THR 53 H THR 53 -2.476 -8.245 9.344 420 HA THR 53 HA THR 53 -2.165 -11.091 9.756 421 HB THR 53 HB THR 53 -4.595 -10.837 10.486 422 HG1 THR 53 1HG THR 53 -4.962 -8.867 9.192 423 HG21 THR 53 1HG2 THR 53 -2.519 -8.909 11.627 424 HG22 THR 53 2HG2 THR 53 -3.931 -9.555 12.492 425 HG23 THR 53 3HG2 THR 53 -2.613 -10.645 11.994 426 H ILE 54 H ILE 54 -3.883 -9.082 7.277 427 HA ILE 54 HA ILE 54 -5.292 -11.375 6.209 428 HB ILE 54 HB ILE 54 -4.669 -8.607 5.129 429 HG12 ILE 54 2HG1 ILE 54 -6.323 -8.990 7.090 430 HG13 ILE 54 3HG1 ILE 54 -6.768 -7.928 5.750 431 HG21 ILE 54 1HG2 ILE 54 -4.885 -10.007 3.166 432 HG22 ILE 54 2HG2 ILE 54 -6.354 -10.749 3.792 433 HG23 ILE 54 3HG2 ILE 54 -6.341 -9.022 3.341 434 HD11 ILE 54 3HD1 ILE 54 -7.558 -10.849 5.935 435 HD12 ILE 54 1HD1 ILE 54 -8.573 -9.492 6.486 436 HD13 ILE 54 2HD1 ILE 54 -8.149 -9.633 4.771 437 H SER 55 H SER 55 -2.157 -9.921 5.716 438 HA SER 55 HA SER 55 -1.553 -11.551 3.347 439 HB2 SER 55 2HB SER 55 -0.676 -9.086 4.110 440 HB3 SER 55 3HB SER 55 0.562 -10.052 4.906 441 HG SER 55 HG SER 55 1.358 -10.560 3.007 442 H THR 56 H THR 56 -0.786 -11.429 6.779 443 HA THR 56 HA THR 56 0.357 -12.749 8.173 444 HB THR 56 HB THR 56 -0.651 -14.783 6.187 445 HG1 THR 56 1HG THR 56 -2.103 -13.604 7.535 446 HG21 THR 56 1HG2 THR 56 0.723 -15.283 8.874 447 HG22 THR 56 2HG2 THR 56 -0.288 -16.473 8.027 448 HG23 THR 56 3HG2 THR 56 1.227 -15.922 7.289 449 H ASP 57 H ASP 57 1.694 -12.359 4.937 450 HA ASP 57 HA ASP 57 4.351 -12.998 5.950 451 HB2 ASP 57 2HB ASP 57 3.258 -15.003 4.777 452 HB3 ASP 57 3HB ASP 57 3.206 -14.013 3.312 453 H LEU 58 H LEU 58 5.835 -11.780 4.855 454 HA LEU 58 HA LEU 58 4.966 -9.211 3.741 455 HB2 LEU 58 2HB LEU 58 7.717 -10.476 4.053 456 HB3 LEU 58 3HB LEU 58 7.450 -8.863 3.398 457 HG LEU 58 HG LEU 58 6.055 -9.199 5.967 458 HD11 LEU 58 1HD1 LEU 58 9.085 -9.515 5.953 459 HD12 LEU 58 2HD1 LEU 58 8.063 -9.267 7.387 460 HD13 LEU 58 3HD1 LEU 58 7.907 -10.757 6.435 461 HD21 LEU 58 3HD2 LEU 58 6.516 -7.031 4.842 462 HD22 LEU 58 1HD2 LEU 58 7.200 -7.097 6.479 463 HD23 LEU 58 2HD2 LEU 58 8.259 -7.295 5.069 464 H GLN 59 H GLN 59 5.811 -12.310 2.496 465 HA GLN 59 HA GLN 59 6.728 -11.552 -0.089 466 HB2 GLN 59 2HB GLN 59 7.157 -13.727 0.870 467 HB3 GLN 59 3HB GLN 59 5.427 -14.089 0.979 468 HG2 GLN 59 2HG GLN 59 5.189 -14.296 -1.380 469 HG3 GLN 59 3HG GLN 59 6.668 -13.385 -1.706 470 HE21 GLN 59 1HE2 GLN 59 8.734 -14.452 -1.604 471 HE22 GLN 59 2HE2 GLN 59 8.794 -16.208 -1.522 472 H LEU 60 H LEU 60 3.468 -12.552 1.115 473 HA LEU 60 HA LEU 60 2.240 -12.044 -1.460 474 HB2 LEU 60 2HB LEU 60 1.375 -12.976 1.181 475 HB3 LEU 60 3HB LEU 60 0.333 -11.655 0.691 476 HG LEU 60 HG LEU 60 -0.616 -13.769 0.039 477 HD11 LEU 60 1HD1 LEU 60 -1.115 -13.327 -2.284 478 HD12 LEU 60 2HD1 LEU 60 -0.999 -11.786 -1.411 479 HD13 LEU 60 3HD1 LEU 60 0.325 -12.313 -2.467 480 HD21 LEU 60 3HD2 LEU 60 1.857 -14.214 -1.685 481 HD22 LEU 60 1HD2 LEU 60 1.454 -15.081 -0.189 482 HD23 LEU 60 2HD2 LEU 60 0.416 -15.245 -1.620 483 H ILE 61 H ILE 61 3.118 -9.973 1.264 484 HA ILE 61 HA ILE 61 1.386 -7.829 0.335 485 HB ILE 61 HB ILE 61 2.826 -8.350 2.669 486 HG12 ILE 61 2HG1 ILE 61 0.612 -7.297 2.378 487 HG13 ILE 61 3HG1 ILE 61 1.636 -6.470 3.550 488 HG21 ILE 61 1HG2 ILE 61 4.864 -7.255 1.933 489 HG22 ILE 61 2HG2 ILE 61 3.967 -5.798 1.461 490 HG23 ILE 61 3HG2 ILE 61 4.063 -6.283 3.161 491 HD11 ILE 61 3HD1 ILE 61 2.088 -4.650 2.030 492 HD12 ILE 61 1HD1 ILE 61 1.384 -5.531 0.656 493 HD13 ILE 61 2HD1 ILE 61 0.341 -4.969 1.954 494 H THR 62 H THR 62 4.705 -8.865 -0.266 495 HA THR 62 HA THR 62 5.478 -6.454 -1.690 496 HB THR 62 HB THR 62 6.648 -9.277 -1.714 497 HG1 THR 62 1HG THR 62 7.460 -6.908 -0.382 498 HG21 THR 62 1HG2 THR 62 7.768 -6.642 -2.780 499 HG22 THR 62 2HG2 THR 62 8.710 -8.135 -2.568 500 HG23 THR 62 3HG2 THR 62 7.377 -8.093 -3.731 501 H GLU 63 H GLU 63 4.219 -9.708 -2.605 502 HA GLU 63 HA GLU 63 4.386 -9.059 -5.389 503 HB2 GLU 63 2HB GLU 63 4.318 -11.423 -4.641 504 HB3 GLU 63 3HB GLU 63 2.641 -11.211 -4.099 505 HG2 GLU 63 2HG GLU 63 1.817 -10.893 -6.292 506 HG3 GLU 63 3HG GLU 63 3.363 -10.293 -6.890 507 H ALA 64 H ALA 64 1.875 -8.631 -2.924 508 HA ALA 64 HA ALA 64 -0.296 -8.028 -4.661 509 HB1 ALA 64 1HB ALA 64 -1.187 -6.723 -2.785 510 HB2 ALA 64 2HB ALA 64 -0.476 -8.259 -2.223 511 HB3 ALA 64 3HB ALA 64 0.404 -6.733 -1.990 512 H LEU 65 H LEU 65 2.266 -5.903 -3.306 513 HA LEU 65 HA LEU 65 1.418 -3.522 -4.677 514 HB2 LEU 65 2HB LEU 65 4.005 -4.443 -3.391 515 HB3 LEU 65 3HB LEU 65 3.869 -2.878 -4.174 516 HG LEU 65 HG LEU 65 2.071 -3.773 -1.896 517 HD11 LEU 65 1HD1 LEU 65 4.691 -3.295 -1.575 518 HD12 LEU 65 2HD1 LEU 65 4.157 -1.614 -1.618 519 HD13 LEU 65 3HD1 LEU 65 3.492 -2.735 -0.403 520 HD21 LEU 65 3HD2 LEU 65 0.988 -2.022 -3.253 521 HD22 LEU 65 1HD2 LEU 65 1.592 -1.291 -1.766 522 HD23 LEU 65 2HD2 LEU 65 2.496 -1.080 -3.278 523 H LYS 66 H LYS 66 3.764 -6.082 -5.472 524 HA LYS 66 HA LYS 66 4.851 -4.912 -7.835 525 HB2 LYS 66 2HB LYS 66 5.679 -6.954 -6.528 526 HB3 LYS 66 3HB LYS 66 4.393 -7.862 -7.320 527 HG2 LYS 66 2HG LYS 66 5.575 -6.753 -9.527 528 HG3 LYS 66 3HG LYS 66 6.949 -6.743 -8.418 529 HD2 LYS 66 2HD LYS 66 7.038 -8.828 -9.593 530 HD3 LYS 66 3HD LYS 66 6.437 -9.214 -7.965 531 HE2 LYS 66 2HE LYS 66 4.071 -9.046 -8.920 532 HE3 LYS 66 3HE LYS 66 4.795 -8.869 -10.523 533 HZ1 LYS 66 3HZ LYS 66 5.776 -11.079 -10.227 534 HZ2 LYS 66 1HZ LYS 66 5.107 -11.203 -8.717 535 HZ3 LYS 66 2HZ LYS 66 4.142 -11.173 -9.956 536 H LYS 67 H LYS 67 1.865 -6.675 -7.252 537 HA LYS 67 HA LYS 67 1.199 -6.695 -10.141 538 HB2 LYS 67 2HB LYS 67 1.319 -8.738 -8.252 539 HB3 LYS 67 3HB LYS 67 -0.385 -8.328 -8.196 540 HG2 LYS 67 2HG LYS 67 -0.491 -8.688 -10.680 541 HG3 LYS 67 3HG LYS 67 1.251 -9.058 -10.670 542 HD2 LYS 67 2HD LYS 67 0.805 -10.915 -9.026 543 HD3 LYS 67 3HD LYS 67 -0.935 -10.587 -9.192 544 HE2 LYS 67 2HE LYS 67 -0.733 -11.002 -11.651 545 HE3 LYS 67 3HE LYS 67 0.976 -11.416 -11.423 546 HZ1 LYS 67 3HZ LYS 67 -0.612 -13.347 -11.458 547 HZ2 LYS 67 1HZ LYS 67 0.289 -13.283 -10.058 548 HZ3 LYS 67 2HZ LYS 67 -1.295 -12.820 -10.150 549 H SER 68 H SER 68 0.987 -4.235 -8.504 550 HA SER 68 HA SER 68 -1.538 -4.015 -7.354 551 HB2 SER 68 2HB SER 68 0.493 -2.015 -8.335 552 HB3 SER 68 3HB SER 68 -1.107 -1.478 -7.771 553 HG SER 68 HG SER 68 0.741 -3.016 -6.363 554 H THR 69 H THR 69 -3.154 -2.265 -8.046 555 HA THR 69 HA THR 69 -3.946 -2.762 -10.853 556 HB THR 69 HB THR 69 -5.113 -4.280 -9.451 557 HG1 THR 69 1HG THR 69 -7.154 -3.715 -10.137 558 HG21 THR 69 1HG2 THR 69 -6.256 -3.904 -7.473 559 HG22 THR 69 2HG2 THR 69 -5.290 -2.443 -7.352 560 HG23 THR 69 3HG2 THR 69 -6.902 -2.411 -8.090 561 H ARG 70 H ARG 70 -5.347 -0.576 -8.206 562 HA ARG 70 HA ARG 70 -5.204 1.565 -10.188 563 HB2 ARG 70 2HB ARG 70 -5.981 1.499 -7.252 564 HB3 ARG 70 3HB ARG 70 -6.182 2.902 -8.266 565 HG2 ARG 70 2HG ARG 70 -7.448 0.234 -9.028 566 HG3 ARG 70 3HG ARG 70 -8.218 1.358 -7.910 567 HD2 ARG 70 2HD ARG 70 -7.395 2.111 -10.738 568 HD3 ARG 70 3HD ARG 70 -8.997 1.506 -10.280 569 HE ARG 70 HE ARG 70 -8.010 3.796 -8.746 570 HH11 ARG 70 2HH2 ARG 70 -10.097 2.806 -11.488 571 HH12 ARG 70 1HH2 ARG 70 -11.109 4.225 -11.296 572 HH21 ARG 70 2HH1 ARG 70 -9.269 5.774 -8.795 573 HH22 ARG 70 1HH1 ARG 70 -10.640 5.820 -9.870 574 H LEU 71 H LEU 71 -2.631 0.314 -8.455 575 HA LEU 71 HA LEU 71 -1.364 2.954 -8.111 576 HB2 LEU 71 2HB LEU 71 -0.706 0.631 -6.310 577 HB3 LEU 71 3HB LEU 71 -0.492 2.339 -6.049 578 HG LEU 71 HG LEU 71 -3.153 0.870 -5.881 579 HD11 LEU 71 1HD1 LEU 71 -2.867 1.077 -3.460 580 HD12 LEU 71 2HD1 LEU 71 -1.495 0.198 -4.164 581 HD13 LEU 71 3HD1 LEU 71 -1.307 1.896 -3.683 582 HD21 LEU 71 3HD2 LEU 71 -3.362 3.364 -6.342 583 HD22 LEU 71 1HD2 LEU 71 -4.030 2.846 -4.791 584 HD23 LEU 71 2HD2 LEU 71 -2.450 3.651 -4.845 585 H GLN 72 H GLN 72 1.130 2.575 -8.139 586 HA GLN 72 HA GLN 72 1.924 -0.030 -9.320 587 HB2 GLN 72 2HB GLN 72 2.809 2.686 -10.411 588 HB3 GLN 72 3HB GLN 72 3.501 1.123 -10.822 589 HG2 GLN 72 2HG GLN 72 2.103 1.331 -12.585 590 HG3 GLN 72 3HG GLN 72 1.018 0.480 -11.488 591 HE21 GLN 72 1HE2 GLN 72 -0.026 1.933 -13.641 592 HE22 GLN 72 2HE2 GLN 72 -0.774 3.399 -13.021 593 H VAL 73 H VAL 73 3.621 -0.853 -8.215 594 HA VAL 73 HA VAL 73 5.128 0.875 -6.373 595 HB VAL 73 HB VAL 73 4.112 -1.341 -5.719 596 HG11 VAL 73 1HG1 VAL 73 6.495 -2.494 -7.228 597 HG12 VAL 73 2HG1 VAL 73 5.387 -3.375 -6.185 598 HG13 VAL 73 3HG1 VAL 73 4.796 -2.657 -7.708 599 HG21 VAL 73 3HG2 VAL 73 5.997 -2.003 -4.291 600 HG22 VAL 73 1HG2 VAL 73 7.086 -0.970 -5.240 601 HG23 VAL 73 2HG2 VAL 73 5.769 -0.262 -4.287 602 H SER 74 H SER 74 7.365 0.960 -6.443 603 HA SER 74 HA SER 74 8.609 0.734 -9.087 604 HB2 SER 74 2HB SER 74 9.080 2.241 -6.714 605 HB3 SER 74 3HB SER 74 10.467 1.169 -6.915 606 HG SER 74 HG SER 74 11.064 2.504 -8.403 607 H GLU 75 H GLU 75 10.687 -0.412 -9.307 608 HA GLU 75 HA GLU 75 10.419 -3.174 -8.741 609 HB2 GLU 75 2HB GLU 75 12.744 -1.416 -9.598 610 HB3 GLU 75 3HB GLU 75 12.838 -3.188 -9.549 611 HG2 GLU 75 2HG GLU 75 11.184 -3.459 -11.230 612 HG3 GLU 75 3HG GLU 75 10.585 -1.812 -11.062 613 H ASP 76 H ASP 76 11.657 -0.528 -6.765 614 HA ASP 76 HA ASP 76 13.311 -2.044 -5.012 615 HB2 ASP 76 2HB ASP 76 11.566 0.401 -4.451 616 HB3 ASP 76 3HB ASP 76 12.901 -0.174 -3.444 617 H GLY 77 H GLY 77 9.797 -1.695 -5.334 618 HA2 GLY 77 2HA GLY 77 8.069 -2.652 -4.065 619 HA3 GLY 77 3HA GLY 77 9.261 -3.507 -3.093 620 H LYS 78 H LYS 78 10.525 -0.569 -2.828 621 HA LYS 78 HA LYS 78 9.246 -0.185 -0.217 622 HB2 LYS 78 2HB LYS 78 11.808 0.849 -1.475 623 HB3 LYS 78 3HB LYS 78 11.227 1.361 0.122 624 HG2 LYS 78 2HG LYS 78 11.207 -0.922 0.941 625 HG3 LYS 78 3HG LYS 78 11.677 -1.552 -0.649 626 HD2 LYS 78 2HD LYS 78 13.823 -0.414 -0.533 627 HD3 LYS 78 3HD LYS 78 13.365 0.369 1.008 628 HE2 LYS 78 2HE LYS 78 13.133 -1.786 2.104 629 HE3 LYS 78 3HE LYS 78 13.391 -2.644 0.577 630 HZ1 LYS 78 3HZ LYS 78 15.631 -1.785 0.522 631 HZ2 LYS 78 1HZ LYS 78 15.403 -0.952 1.925 632 HZ3 LYS 78 2HZ LYS 78 15.386 -2.598 1.932 633 H MET 79 H MET 79 8.655 1.150 -3.312 634 HA MET 79 HA MET 79 7.091 3.103 -1.860 635 HB2 MET 79 2HB MET 79 7.791 5.066 -3.135 636 HB3 MET 79 3HB MET 79 9.150 4.404 -2.240 637 HG2 MET 79 2HG MET 79 10.148 4.849 -4.219 638 HG3 MET 79 3HG MET 79 9.674 3.184 -4.539 639 HE1 MET 79 3HE MET 79 9.512 5.570 -7.821 640 HE2 MET 79 1HE MET 79 10.363 6.073 -6.343 641 HE3 MET 79 2HE MET 79 10.520 4.406 -6.927 642 H VAL 80 H VAL 80 5.229 3.752 -2.974 643 HA VAL 80 HA VAL 80 4.773 2.682 -5.637 644 HB VAL 80 HB VAL 80 3.862 0.820 -4.506 645 HG11 VAL 80 1HG1 VAL 80 3.061 2.737 -2.341 646 HG12 VAL 80 2HG1 VAL 80 2.515 1.057 -2.361 647 HG13 VAL 80 3HG1 VAL 80 4.243 1.416 -2.212 648 HG21 VAL 80 3HG2 VAL 80 2.048 1.899 -5.858 649 HG22 VAL 80 1HG2 VAL 80 1.458 0.939 -4.502 650 HG23 VAL 80 2HG2 VAL 80 1.480 2.704 -4.379 651 H ARG 81 H ARG 81 3.169 3.766 -6.687 652 HA ARG 81 HA ARG 81 2.352 6.316 -5.375 653 HB2 ARG 81 2HB ARG 81 2.362 7.302 -7.710 654 HB3 ARG 81 3HB ARG 81 3.936 7.047 -6.973 655 HG2 ARG 81 2HG ARG 81 2.813 4.934 -8.837 656 HG3 ARG 81 3HG ARG 81 3.519 6.422 -9.477 657 HD2 ARG 81 2HD ARG 81 5.600 5.980 -8.134 658 HD3 ARG 81 3HD ARG 81 4.944 4.393 -7.710 659 HE ARG 81 HE ARG 81 4.851 4.770 -10.528 660 HH11 ARG 81 2HH2 ARG 81 7.139 4.092 -7.913 661 HH12 ARG 81 1HH2 ARG 81 8.335 3.348 -8.909 662 HH21 ARG 81 2HH1 ARG 81 6.466 3.814 -11.915 663 HH22 ARG 81 1HH1 ARG 81 7.923 3.183 -11.235 664 H ARG 82 H ARG 82 0.329 7.005 -5.698 665 HA ARG 82 HA ARG 82 -1.570 4.906 -6.546 666 HB2 ARG 82 2HB ARG 82 -3.251 6.312 -5.411 667 HB3 ARG 82 3HB ARG 82 -1.879 5.968 -4.375 668 HG2 ARG 82 2HG ARG 82 -1.916 8.141 -3.899 669 HG3 ARG 82 3HG ARG 82 -1.016 8.363 -5.384 670 HD2 ARG 82 2HD ARG 82 -2.683 9.496 -6.361 671 HD3 ARG 82 3HD ARG 82 -3.907 8.304 -5.906 672 HE ARG 82 HE ARG 82 -2.887 10.571 -4.289 673 HH11 ARG 82 2HH2 ARG 82 -5.376 8.076 -4.670 674 HH12 ARG 82 1HH2 ARG 82 -6.159 8.395 -3.155 675 HH21 ARG 82 2HH1 ARG 82 -3.872 11.032 -2.422 676 HH22 ARG 82 1HH1 ARG 82 -5.424 10.369 -1.930 677 H LEU 83 H LEU 83 -3.716 6.245 -7.473 678 HA LEU 83 HA LEU 83 -2.783 7.065 -10.121 679 HB2 LEU 83 2HB LEU 83 -5.214 5.915 -8.894 680 HB3 LEU 83 3HB LEU 83 -5.613 7.236 -9.981 681 HG LEU 83 HG LEU 83 -3.746 4.981 -10.814 682 HD11 LEU 83 1HD1 LEU 83 -5.727 3.974 -11.910 683 HD12 LEU 83 2HD1 LEU 83 -5.899 4.040 -10.149 684 HD13 LEU 83 3HD1 LEU 83 -6.768 5.215 -11.161 685 HD21 LEU 83 3HD2 LEU 83 -4.386 5.703 -13.080 686 HD22 LEU 83 1HD2 LEU 83 -5.458 6.947 -12.407 687 HD23 LEU 83 2HD2 LEU 83 -3.697 7.070 -12.188 688 H ASP 84 H ASP 84 -2.870 9.127 -10.869 689 HA ASP 84 HA ASP 84 -2.942 11.363 -9.313 690 HB2 ASP 84 2HB ASP 84 -2.730 10.776 -12.084 691 HB3 ASP 84 3HB ASP 84 -3.999 11.990 -11.959 692 HA PRO 85 HA PRO 85 -7.533 12.269 -10.028 693 HB2 PRO 85 2HB PRO 85 -9.254 10.418 -11.076 694 HB3 PRO 85 3HB PRO 85 -8.280 11.520 -12.101 695 HG2 PRO 85 2HG PRO 85 -7.635 8.658 -11.317 696 HG3 PRO 85 3HG PRO 85 -7.614 9.385 -12.958 697 HD2 PRO 85 2HD PRO 85 -5.356 9.136 -11.486 698 HD3 PRO 85 3HD PRO 85 -5.631 10.580 -12.500 699 H LEU 86 H LEU 86 -8.890 12.118 -8.292 700 HA LEU 86 HA LEU 86 -8.250 10.327 -6.236 701 HB2 LEU 86 2HB LEU 86 -10.111 11.229 -5.005 702 HB3 LEU 86 3HB LEU 86 -9.255 12.525 -5.801 703 HG LEU 86 HG LEU 86 -11.707 11.365 -7.170 704 HD11 LEU 86 1HD1 LEU 86 -11.764 13.244 -4.779 705 HD12 LEU 86 2HD1 LEU 86 -13.145 12.858 -5.834 706 HD13 LEU 86 3HD1 LEU 86 -12.414 11.587 -4.849 707 HD21 LEU 86 3HD2 LEU 86 -10.553 14.179 -6.878 708 HD22 LEU 86 1HD2 LEU 86 -10.514 13.166 -8.343 709 HD23 LEU 86 2HD2 LEU 86 -12.049 13.773 -7.740 710 HA PRO 87 HA PRO 87 -10.479 6.733 -7.244 711 HB2 PRO 87 2HB PRO 87 -10.984 5.644 -4.728 712 HB3 PRO 87 3HB PRO 87 -9.416 5.586 -5.584 713 HG2 PRO 87 2HG PRO 87 -10.257 7.374 -3.325 714 HG3 PRO 87 3HG PRO 87 -8.629 6.746 -3.753 715 HD2 PRO 87 2HD PRO 87 -9.488 9.311 -4.280 716 HD3 PRO 87 3HD PRO 87 -8.154 8.466 -5.122 717 H GLU 88 H GLU 88 -12.530 5.635 -7.162 718 HA GLU 88 HA GLU 88 -14.779 7.402 -6.350 719 HB2 GLU 88 2HB GLU 88 -15.783 6.947 -8.519 720 HB3 GLU 88 3HB GLU 88 -14.202 7.702 -8.687 721 HG2 GLU 88 2HG GLU 88 -13.658 4.931 -8.769 722 HG3 GLU 88 3HG GLU 88 -15.150 5.101 -9.682 723 H ASN 89 H ASN 89 -14.587 5.911 -4.452 724 HA ASN 89 HA ASN 89 -15.132 4.102 -3.198 725 HB2 ASN 89 2HB ASN 89 -17.365 3.779 -5.230 726 HB3 ASN 89 3HB ASN 89 -17.308 3.047 -3.628 727 HD21 ASN 89 1HD2 ASN 89 -19.360 4.921 -4.713 728 HD22 ASN 89 2HD2 ASN 89 -19.328 6.274 -3.588 729 H ILE 90 H ILE 90 -13.025 3.424 -4.777 730 HA ILE 90 HA ILE 90 -13.823 1.010 -6.246 731 HB ILE 90 HB ILE 90 -11.174 2.441 -5.837 732 HG12 ILE 90 2HG1 ILE 90 -12.863 3.493 -7.333 733 HG13 ILE 90 3HG1 ILE 90 -11.345 3.097 -8.124 734 HG21 ILE 90 1HG2 ILE 90 -10.491 0.168 -6.078 735 HG22 ILE 90 2HG2 ILE 90 -11.721 -0.168 -7.307 736 HG23 ILE 90 3HG2 ILE 90 -10.339 0.870 -7.696 737 HD11 ILE 90 3HD1 ILE 90 -13.263 2.576 -9.572 738 HD12 ILE 90 1HD1 ILE 90 -12.375 1.102 -9.172 739 HD13 ILE 90 2HD1 ILE 90 -13.916 1.467 -8.358 740 H ASP 91 H ASP 91 -13.371 -1.076 -5.667 741 HA ASP 91 HA ASP 91 -11.572 -1.828 -3.625 742 HB2 ASP 91 2HB ASP 91 -13.638 -1.240 -2.256 743 HB3 ASP 91 3HB ASP 91 -14.515 -2.481 -3.150 Start of MODEL 29 1 H1 MET 1 H1 MET 1 -1.719 -15.587 -2.066 2 H2 MET 1 H2 MET 1 -0.275 -16.296 -1.695 3 H3 MET 1 H3 MET 1 -0.752 -16.143 -3.267 4 HA MET 1 HA MET 1 -1.037 -18.403 -2.508 5 HB2 MET 1 2HB MET 1 -1.386 -17.849 -0.142 6 HB3 MET 1 3HB MET 1 -2.946 -17.116 -0.512 7 HG2 MET 1 2HG MET 1 -3.818 -19.290 -1.262 8 HG3 MET 1 3HG MET 1 -2.220 -20.023 -1.046 9 HE1 MET 1 1HE MET 1 -4.258 -21.734 1.810 10 HE2 MET 1 2HE MET 1 -4.825 -21.320 0.176 11 HE3 MET 1 3HE MET 1 -3.186 -21.977 0.412 12 H SER 2 H SER 2 -1.589 -18.283 -4.730 13 HA SER 2 HA SER 2 -2.746 -17.918 -6.568 14 HB2 SER 2 2HB SER 2 -5.116 -18.554 -4.774 15 HB3 SER 2 3HB SER 2 -5.178 -18.452 -6.546 16 HG SER 2 HG SER 2 -4.770 -20.579 -5.813 17 H GLU 3 H GLU 3 -4.421 -16.553 -7.724 18 HA GLU 3 HA GLU 3 -4.022 -13.827 -6.895 19 HB2 GLU 3 2HB GLU 3 -5.390 -15.185 -9.219 20 HB3 GLU 3 3HB GLU 3 -5.545 -13.427 -8.955 21 HG2 GLU 3 2HG GLU 3 -3.120 -13.157 -8.858 22 HG3 GLU 3 3HG GLU 3 -2.870 -14.897 -9.012 23 H GLU 4 H GLU 4 -6.487 -16.162 -6.079 24 HA GLU 4 HA GLU 4 -8.542 -14.320 -5.354 25 HB2 GLU 4 2HB GLU 4 -7.539 -16.878 -4.033 26 HB3 GLU 4 3HB GLU 4 -8.983 -16.000 -3.497 27 HG2 GLU 4 2HG GLU 4 -10.056 -16.305 -5.667 28 HG3 GLU 4 3HG GLU 4 -8.602 -17.069 -6.329 29 H THR 5 H THR 5 -5.695 -15.475 -3.400 30 HA THR 5 HA THR 5 -6.412 -13.606 -1.303 31 HB THR 5 HB THR 5 -3.758 -14.989 -1.769 32 HG1 THR 5 1HG THR 5 -5.263 -16.580 -1.597 33 HG21 THR 5 1HG2 THR 5 -3.471 -14.790 0.660 34 HG22 THR 5 2HG2 THR 5 -3.722 -13.175 -0.028 35 HG23 THR 5 3HG2 THR 5 -5.054 -14.004 0.808 36 H SER 6 H SER 6 -4.008 -13.607 -3.972 37 HA SER 6 HA SER 6 -2.671 -11.269 -3.130 38 HB2 SER 6 2HB SER 6 -2.148 -13.058 -5.023 39 HB3 SER 6 3HB SER 6 -2.956 -11.876 -6.068 40 HG SER 6 HG SER 6 -0.455 -11.861 -5.028 41 H THR 7 H THR 7 -5.537 -11.598 -5.278 42 HA THR 7 HA THR 7 -5.824 -8.758 -5.624 43 HB THR 7 HB THR 7 -7.776 -11.039 -6.110 44 HG1 THR 7 1HG THR 7 -6.035 -9.586 -7.834 45 HG21 THR 7 1HG2 THR 7 -9.027 -8.937 -6.004 46 HG22 THR 7 2HG2 THR 7 -7.853 -8.148 -7.081 47 HG23 THR 7 3HG2 THR 7 -8.883 -9.467 -7.685 48 H GLN 8 H GLN 8 -7.094 -11.083 -3.238 49 HA GLN 8 HA GLN 8 -9.066 -9.266 -2.184 50 HB2 GLN 8 2HB GLN 8 -7.583 -11.667 -1.101 51 HB3 GLN 8 3HB GLN 8 -8.629 -10.745 -0.056 52 HG2 GLN 8 2HG GLN 8 -9.617 -11.847 -2.727 53 HG3 GLN 8 3HG GLN 8 -9.618 -12.825 -1.260 54 HE21 GLN 8 1HE2 GLN 8 -11.613 -12.898 -0.299 55 HE22 GLN 8 2HE2 GLN 8 -12.774 -11.584 -0.344 56 H ILE 9 H ILE 9 -5.590 -9.532 -1.787 57 HA ILE 9 HA ILE 9 -5.708 -7.639 0.468 58 HB ILE 9 HB ILE 9 -4.051 -9.692 0.033 59 HG12 ILE 9 2HG1 ILE 9 -3.242 -7.071 1.353 60 HG13 ILE 9 3HG1 ILE 9 -4.399 -8.224 2.038 61 HG21 ILE 9 1HG2 ILE 9 -2.907 -8.645 -1.934 62 HG22 ILE 9 2HG2 ILE 9 -2.351 -7.334 -0.876 63 HG23 ILE 9 3HG2 ILE 9 -1.832 -9.015 -0.605 64 HD11 ILE 9 3HD1 ILE 9 -2.394 -8.715 3.083 65 HD12 ILE 9 1HD1 ILE 9 -2.583 -9.994 1.861 66 HD13 ILE 9 2HD1 ILE 9 -1.430 -8.662 1.583 67 H LEU 10 H LEU 10 -4.990 -7.810 -2.958 68 HA LEU 10 HA LEU 10 -3.756 -5.308 -3.168 69 HB2 LEU 10 2HB LEU 10 -4.212 -7.313 -4.934 70 HB3 LEU 10 3HB LEU 10 -5.491 -6.228 -5.431 71 HG LEU 10 HG LEU 10 -2.481 -5.952 -5.531 72 HD11 LEU 10 1HD1 LEU 10 -3.172 -5.221 -7.862 73 HD12 LEU 10 2HD1 LEU 10 -3.626 -6.863 -7.426 74 HD13 LEU 10 3HD1 LEU 10 -4.847 -5.581 -7.413 75 HD21 LEU 10 3HD2 LEU 10 -2.823 -3.497 -6.166 76 HD22 LEU 10 1HD2 LEU 10 -4.404 -3.616 -5.390 77 HD23 LEU 10 2HD2 LEU 10 -2.913 -3.875 -4.470 78 H LYS 11 H LYS 11 -7.196 -6.137 -3.593 79 HA LYS 11 HA LYS 11 -8.110 -3.471 -4.117 80 HB2 LYS 11 2HB LYS 11 -10.303 -4.292 -3.518 81 HB3 LYS 11 3HB LYS 11 -9.455 -5.592 -4.371 82 HG2 LYS 11 2HG LYS 11 -8.712 -6.293 -1.931 83 HG3 LYS 11 3HG LYS 11 -10.132 -5.359 -1.427 84 HD2 LYS 11 2HD LYS 11 -10.051 -7.662 -3.410 85 HD3 LYS 11 3HD LYS 11 -10.476 -7.773 -1.679 86 HE2 LYS 11 2HE LYS 11 -12.371 -6.270 -2.004 87 HE3 LYS 11 3HE LYS 11 -12.011 -6.121 -3.724 88 HZ1 LYS 11 3HZ LYS 11 -12.600 -8.672 -2.356 89 HZ2 LYS 11 1HZ LYS 11 -13.720 -7.770 -3.194 90 HZ3 LYS 11 2HZ LYS 11 -12.430 -8.443 -3.974 91 H GLN 12 H GLN 12 -7.285 -5.197 -1.184 92 HA GLN 12 HA GLN 12 -8.224 -3.161 0.604 93 HB2 GLN 12 2HB GLN 12 -6.626 -5.657 0.926 94 HB3 GLN 12 3HB GLN 12 -6.590 -4.441 2.210 95 HG2 GLN 12 2HG GLN 12 -9.196 -5.497 1.083 96 HG3 GLN 12 3HG GLN 12 -8.344 -6.265 2.431 97 HE21 GLN 12 1HE2 GLN 12 -10.595 -3.743 1.638 98 HE22 GLN 12 2HE2 GLN 12 -10.462 -2.885 3.160 99 H VAL 13 H VAL 13 -5.188 -3.565 -1.195 100 HA VAL 13 HA VAL 13 -3.695 -1.671 0.391 101 HB VAL 13 HB VAL 13 -3.451 -2.710 -2.437 102 HG11 VAL 13 1HG1 VAL 13 -1.553 -0.797 -1.017 103 HG12 VAL 13 2HG1 VAL 13 -1.217 -1.640 -2.548 104 HG13 VAL 13 3HG1 VAL 13 -2.508 -0.441 -2.472 105 HG21 VAL 13 3HG2 VAL 13 -1.425 -3.816 -1.554 106 HG22 VAL 13 1HG2 VAL 13 -1.721 -3.092 0.042 107 HG23 VAL 13 2HG2 VAL 13 -2.849 -4.286 -0.618 108 H GLU 14 H GLU 14 -5.703 -1.418 -2.629 109 HA GLU 14 HA GLU 14 -5.309 1.430 -2.728 110 HB2 GLU 14 2HB GLU 14 -6.142 -0.211 -4.592 111 HB3 GLU 14 3HB GLU 14 -7.750 0.119 -3.950 112 HG2 GLU 14 2HG GLU 14 -5.734 2.258 -4.836 113 HG3 GLU 14 3HG GLU 14 -6.960 1.571 -5.886 114 H TYR 15 H TYR 15 -7.648 -0.594 -0.974 115 HA TYR 15 HA TYR 15 -9.639 1.287 -0.490 116 HB2 TYR 15 2HB TYR 15 -10.240 -0.842 0.078 117 HB3 TYR 15 3HB TYR 15 -8.640 -1.232 0.669 118 HD1 TYR 15 HD2 TYR 15 -11.764 0.519 1.647 119 HD2 TYR 15 HD1 TYR 15 -7.962 -1.112 2.874 120 HE1 TYR 15 HE2 TYR 15 -12.383 0.866 4.001 121 HE2 TYR 15 HE1 TYR 15 -8.550 -0.799 5.203 122 HH TYR 15 HH TYR 15 -11.559 0.888 6.212 123 H TYR 16 H TYR 16 -6.518 0.755 1.216 124 HA TYR 16 HA TYR 16 -7.000 2.557 3.363 125 HB2 TYR 16 2HB TYR 16 -4.435 1.731 1.951 126 HB3 TYR 16 3HB TYR 16 -4.466 2.656 3.438 127 HD1 TYR 16 HD1 TYR 16 -6.198 1.548 5.263 128 HD2 TYR 16 HD2 TYR 16 -3.887 -0.484 2.250 129 HE1 TYR 16 HE1 TYR 16 -6.076 -0.429 6.700 130 HE2 TYR 16 HE2 TYR 16 -3.749 -2.480 3.678 131 HH TYR 16 HH TYR 16 -4.167 -3.305 5.781 132 H PHE 17 H PHE 17 -6.486 3.302 0.069 133 HA PHE 17 HA PHE 17 -6.082 6.155 0.768 134 HB2 PHE 17 2HB PHE 17 -5.414 4.760 -1.829 135 HB3 PHE 17 3HB PHE 17 -5.076 6.456 -1.386 136 HD1 PHE 17 1HD PHE 17 -4.237 2.906 -0.599 137 HD2 PHE 17 2HD PHE 17 -3.040 7.037 -0.251 138 HE1 PHE 17 1HE PHE 17 -2.130 2.200 0.487 139 HE2 PHE 17 2HE PHE 17 -0.940 6.337 0.812 140 HZ PHE 17 HZ PHE 17 -0.498 3.925 1.256 141 H SER 18 H SER 18 -8.285 3.828 -0.405 142 HA SER 18 HA SER 18 -9.700 5.484 -2.227 143 HB2 SER 18 2HB SER 18 -9.441 2.854 -2.045 144 HB3 SER 18 3HB SER 18 -10.865 2.995 -1.002 145 HG SER 18 HG SER 18 -10.560 3.168 -3.682 146 H ASP 19 H ASP 19 -10.066 4.536 1.147 147 HA ASP 19 HA ASP 19 -12.769 5.539 1.441 148 HB2 ASP 19 2HB ASP 19 -11.841 3.607 2.559 149 HB3 ASP 19 3HB ASP 19 -10.576 4.573 3.300 150 H SER 20 H SER 20 -10.425 7.409 0.604 151 HA SER 20 HA SER 20 -9.494 9.401 1.077 152 HB2 SER 20 2HB SER 20 -12.066 9.747 0.742 153 HB3 SER 20 3HB SER 20 -12.078 10.129 2.471 154 HG SER 20 HG SER 20 -10.743 11.425 0.339 155 H ASN 21 H ASN 21 -9.098 7.258 3.082 156 HA ASN 21 HA ASN 21 -8.863 8.747 5.599 157 HB2 ASN 21 2HB ASN 21 -8.256 6.634 6.583 158 HB3 ASN 21 3HB ASN 21 -9.707 6.397 5.591 159 HD21 ASN 21 1HD2 ASN 21 -6.578 5.197 6.223 160 HD22 ASN 21 2HD2 ASN 21 -6.283 4.483 4.634 161 H PHE 22 H PHE 22 -6.834 8.016 2.781 162 HA PHE 22 HA PHE 22 -4.359 8.030 4.098 163 HB2 PHE 22 2HB PHE 22 -3.881 7.540 2.013 164 HB3 PHE 22 3HB PHE 22 -5.356 8.271 1.394 165 HD1 PHE 22 2HD PHE 22 -1.986 9.349 2.727 166 HD2 PHE 22 1HD PHE 22 -5.207 10.035 -0.056 167 HE1 PHE 22 2HE PHE 22 -0.792 11.310 1.809 168 HE2 PHE 22 1HE PHE 22 -4.053 11.992 -0.930 169 HZ PHE 22 HZ PHE 22 -1.798 12.654 -0.020 170 HA PRO 23 HA PRO 23 -4.161 12.651 3.854 171 HB2 PRO 23 2HB PRO 23 -6.368 14.294 3.721 172 HB3 PRO 23 3HB PRO 23 -5.527 13.636 2.282 173 HG2 PRO 23 2HG PRO 23 -7.991 12.532 3.667 174 HG3 PRO 23 3HG PRO 23 -7.741 12.818 1.913 175 HD2 PRO 23 2HD PRO 23 -7.399 10.383 3.033 176 HD3 PRO 23 3HD PRO 23 -6.336 10.938 1.718 177 H ARG 24 H ARG 24 -6.574 11.016 5.747 178 HA ARG 24 HA ARG 24 -6.419 13.082 7.865 179 HB2 ARG 24 2HB ARG 24 -8.419 12.324 8.639 180 HB3 ARG 24 3HB ARG 24 -8.562 11.948 6.918 181 HG2 ARG 24 2HG ARG 24 -7.907 9.565 7.464 182 HG3 ARG 24 3HG ARG 24 -7.869 10.003 9.169 183 HD2 ARG 24 2HD ARG 24 -9.925 8.883 8.699 184 HD3 ARG 24 3HD ARG 24 -10.279 10.556 9.099 185 HE ARG 24 HE ARG 24 -10.552 9.174 6.497 186 HH11 ARG 24 2HH2 ARG 24 -11.028 12.179 8.286 187 HH12 ARG 24 1HH2 ARG 24 -12.039 12.901 7.080 188 HH21 ARG 24 2HH1 ARG 24 -11.636 10.225 4.804 189 HH22 ARG 24 1HH1 ARG 24 -12.484 11.700 5.071 190 H ASP 25 H ASP 25 -5.352 9.812 7.114 191 HA ASP 25 HA ASP 25 -4.708 9.136 9.853 192 HB2 ASP 25 2HB ASP 25 -4.170 7.829 7.163 193 HB3 ASP 25 3HB ASP 25 -3.656 7.134 8.703 194 H LYS 26 H LYS 26 -3.083 10.415 10.668 195 HA LYS 26 HA LYS 26 -0.885 11.474 9.288 196 HB2 LYS 26 2HB LYS 26 -1.317 10.794 12.195 197 HB3 LYS 26 3HB LYS 26 0.324 11.091 11.641 198 HG2 LYS 26 2HG LYS 26 -0.138 13.207 12.174 199 HG3 LYS 26 3HG LYS 26 -0.734 13.264 10.520 200 HD2 LYS 26 2HD LYS 26 -3.047 12.999 11.322 201 HD3 LYS 26 3HD LYS 26 -2.458 12.771 12.991 202 HE2 LYS 26 2HE LYS 26 -1.440 15.003 12.986 203 HE3 LYS 26 3HE LYS 26 -1.922 15.255 11.304 204 HZ1 LYS 26 3HZ LYS 26 -4.219 15.162 12.006 205 HZ2 LYS 26 1HZ LYS 26 -3.780 14.905 13.572 206 HZ3 LYS 26 2HZ LYS 26 -3.419 16.332 12.843 207 H PHE 27 H PHE 27 -1.311 8.164 10.307 208 HA PHE 27 HA PHE 27 1.366 7.203 10.103 209 HB2 PHE 27 2HB PHE 27 -0.647 6.031 11.049 210 HB3 PHE 27 3HB PHE 27 -1.296 5.858 9.426 211 HD1 PHE 27 1HD PHE 27 1.989 5.264 11.178 212 HD2 PHE 27 2HD PHE 27 -1.012 3.687 8.504 213 HE1 PHE 27 1HE PHE 27 3.241 3.168 11.017 214 HE2 PHE 27 2HE PHE 27 0.241 1.554 8.370 215 HZ PHE 27 HZ PHE 27 2.355 1.265 9.637 216 H LEU 28 H LEU 28 -1.284 7.362 7.661 217 HA LEU 28 HA LEU 28 0.433 6.350 5.542 218 HB2 LEU 28 2HB LEU 28 -2.244 7.779 5.560 219 HB3 LEU 28 3HB LEU 28 -1.395 7.342 4.060 220 HG LEU 28 HG LEU 28 -1.568 5.128 6.044 221 HD11 LEU 28 1HD1 LEU 28 -4.014 4.940 4.594 222 HD12 LEU 28 2HD1 LEU 28 -3.786 5.062 6.357 223 HD13 LEU 28 3HD1 LEU 28 -4.038 6.498 5.397 224 HD21 LEU 28 3HD2 LEU 28 -1.771 3.854 3.999 225 HD22 LEU 28 1HD2 LEU 28 -2.233 5.300 3.094 226 HD23 LEU 28 2HD2 LEU 28 -0.572 5.114 3.708 227 H ARG 29 H ARG 29 -0.836 9.578 6.357 228 HA ARG 29 HA ARG 29 0.526 11.030 4.420 229 HB2 ARG 29 2HB ARG 29 -0.334 11.843 7.210 230 HB3 ARG 29 3HB ARG 29 0.527 12.940 6.140 231 HG2 ARG 29 2HG ARG 29 -1.349 12.232 4.377 232 HG3 ARG 29 3HG ARG 29 -2.234 11.790 5.850 233 HD2 ARG 29 2HD ARG 29 -2.777 14.068 5.125 234 HD3 ARG 29 3HD ARG 29 -1.982 14.075 6.712 235 HE ARG 29 HE ARG 29 -0.031 14.381 4.661 236 HH11 ARG 29 2HH2 ARG 29 -2.737 16.144 6.042 237 HH12 ARG 29 1HH2 ARG 29 -2.062 17.724 5.816 238 HH21 ARG 29 2HH1 ARG 29 0.931 16.474 4.328 239 HH22 ARG 29 1HH1 ARG 29 0.088 17.905 4.788 240 H SER 30 H SER 30 1.974 9.679 7.407 241 HA SER 30 HA SER 30 4.299 11.401 7.204 242 HB2 SER 30 2HB SER 30 3.828 8.682 8.528 243 HB3 SER 30 3HB SER 30 5.373 9.561 8.613 244 HG SER 30 HG SER 30 2.838 10.462 9.494 245 H GLU 31 H GLU 31 3.472 8.190 5.771 246 HA GLU 31 HA GLU 31 6.189 8.103 4.624 247 HB2 GLU 31 2HB GLU 31 3.810 6.280 4.644 248 HB3 GLU 31 3HB GLU 31 4.841 6.238 3.217 249 HG2 GLU 31 2HG GLU 31 5.810 5.871 6.072 250 HG3 GLU 31 3HG GLU 31 5.600 4.584 4.865 251 H ALA 32 H ALA 32 2.858 8.747 3.482 252 HA ALA 32 HA ALA 32 3.412 9.121 0.774 253 HB1 ALA 32 1HB ALA 32 1.355 10.502 2.539 254 HB2 ALA 32 2HB ALA 32 1.256 10.312 0.785 255 HB3 ALA 32 3HB ALA 32 1.173 8.884 1.820 256 H ALA 33 H ALA 33 3.828 11.342 3.512 257 HA ALA 33 HA ALA 33 4.172 13.754 2.062 258 HB1 ALA 33 1HB ALA 33 5.109 12.871 4.828 259 HB2 ALA 33 2HB ALA 33 5.298 14.525 4.196 260 HB3 ALA 33 3HB ALA 33 3.681 13.851 4.408 261 H LYS 34 H LYS 34 6.282 11.030 1.974 262 HA LYS 34 HA LYS 34 8.702 12.663 1.658 263 HB2 LYS 34 2HB LYS 34 8.005 9.760 1.698 264 HB3 LYS 34 3HB LYS 34 9.142 10.189 0.447 265 HG2 LYS 34 2HG LYS 34 10.372 9.575 2.436 266 HG3 LYS 34 3HG LYS 34 10.606 11.287 2.094 267 HD2 LYS 34 2HD LYS 34 10.299 11.111 4.453 268 HD3 LYS 34 3HD LYS 34 8.819 11.813 3.814 269 HE2 LYS 34 2HE LYS 34 8.228 10.190 5.475 270 HE3 LYS 34 3HE LYS 34 7.725 9.554 3.911 271 HZ1 LYS 34 3HZ LYS 34 8.936 8.028 5.505 272 HZ2 LYS 34 1HZ LYS 34 9.386 7.960 3.983 273 HZ3 LYS 34 2HZ LYS 34 10.328 8.790 5.080 274 H ASN 35 H ASN 35 6.005 11.526 -0.364 275 HA ASN 35 HA ASN 35 6.971 13.305 -2.448 276 HB2 ASN 35 2HB ASN 35 8.102 10.902 -2.658 277 HB3 ASN 35 3HB ASN 35 6.546 10.483 -3.379 278 HD21 ASN 35 1HD2 ASN 35 5.858 12.518 -5.036 279 HD22 ASN 35 2HD2 ASN 35 7.206 12.971 -6.084 280 H VAL 36 H VAL 36 4.743 13.754 -1.097 281 HA VAL 36 HA VAL 36 2.581 14.286 -1.358 282 HB VAL 36 HB VAL 36 3.291 13.675 -4.207 283 HG11 VAL 36 1HG1 VAL 36 1.015 14.415 -4.898 284 HG12 VAL 36 2HG1 VAL 36 1.096 12.784 -4.247 285 HG13 VAL 36 3HG1 VAL 36 0.461 14.110 -3.232 286 HG21 VAL 36 3HG2 VAL 36 3.886 15.808 -3.121 287 HG22 VAL 36 1HG2 VAL 36 2.745 16.025 -4.459 288 HG23 VAL 36 2HG2 VAL 36 2.163 16.104 -2.782 289 H ASP 37 H ASP 37 2.650 11.376 -3.363 290 HA ASP 37 HA ASP 37 1.924 9.646 -1.194 291 HB2 ASP 37 2HB ASP 37 -0.359 10.672 -1.718 292 HB3 ASP 37 3HB ASP 37 -0.274 9.864 -3.287 293 H ASN 38 H ASN 38 3.954 9.924 -3.212 294 HA ASN 38 HA ASN 38 3.441 7.596 -4.965 295 HB2 ASN 38 2HB ASN 38 5.348 9.954 -5.193 296 HB3 ASN 38 3HB ASN 38 5.504 8.516 -6.190 297 HD21 ASN 38 1HD2 ASN 38 5.127 9.952 -8.103 298 HD22 ASN 38 2HD2 ASN 38 3.457 10.387 -8.433 299 H TYR 39 H TYR 39 4.748 8.247 -1.990 300 HA TYR 39 HA TYR 39 6.846 6.177 -2.198 301 HB2 TYR 39 2HB TYR 39 7.006 8.970 -1.041 302 HB3 TYR 39 3HB TYR 39 7.843 7.648 -0.250 303 HD1 TYR 39 HD2 TYR 39 7.489 8.456 -3.959 304 HD2 TYR 39 HD1 TYR 39 10.116 7.942 -0.581 305 HE1 TYR 39 HE2 TYR 39 9.427 8.701 -5.445 306 HE2 TYR 39 HE1 TYR 39 12.066 8.160 -2.076 307 HH TYR 39 HH TYR 39 12.791 8.529 -4.284 308 H ILE 40 H ILE 40 6.003 4.534 -1.026 309 HA ILE 40 HA ILE 40 4.755 5.114 1.545 310 HB ILE 40 HB ILE 40 3.417 3.266 -0.440 311 HG12 ILE 40 2HG1 ILE 40 2.276 5.934 0.446 312 HG13 ILE 40 3HG1 ILE 40 3.133 5.756 -1.082 313 HG21 ILE 40 1HG2 ILE 40 1.685 3.103 1.282 314 HG22 ILE 40 2HG2 ILE 40 3.241 2.785 2.035 315 HG23 ILE 40 3HG2 ILE 40 2.477 4.369 2.245 316 HD11 ILE 40 3HD1 ILE 40 0.836 3.891 -0.584 317 HD12 ILE 40 1HD1 ILE 40 0.541 5.580 -1.050 318 HD13 ILE 40 2HD1 ILE 40 1.479 4.513 -2.100 319 H SER 41 H SER 41 6.416 4.069 2.727 320 HA SER 41 HA SER 41 7.896 1.976 1.706 321 HB2 SER 41 2HB SER 41 8.595 3.344 3.642 322 HB3 SER 41 3HB SER 41 7.401 2.474 4.648 323 HG SER 41 HG SER 41 9.485 1.404 4.691 324 H ILE 42 H ILE 42 7.843 -0.158 1.758 325 HA ILE 42 HA ILE 42 5.428 -1.629 2.228 326 HB ILE 42 HB ILE 42 7.305 -2.274 0.719 327 HG12 ILE 42 2HG1 ILE 42 6.433 -4.406 2.682 328 HG13 ILE 42 3HG1 ILE 42 5.495 -3.762 1.322 329 HG21 ILE 42 1HG2 ILE 42 9.173 -1.822 2.385 330 HG22 ILE 42 2HG2 ILE 42 8.673 -3.290 3.249 331 HG23 ILE 42 3HG2 ILE 42 9.274 -3.395 1.583 332 HD11 ILE 42 3HD1 ILE 42 8.086 -5.348 1.194 333 HD12 ILE 42 1HD1 ILE 42 6.510 -5.761 0.507 334 HD13 ILE 42 2HD1 ILE 42 7.445 -4.440 -0.200 335 H ASP 43 H ASP 43 7.775 -0.263 4.419 336 HA ASP 43 HA ASP 43 7.311 -2.090 6.609 337 HB2 ASP 43 2HB ASP 43 8.019 0.882 6.612 338 HB3 ASP 43 3HB ASP 43 8.023 -0.164 8.034 339 H VAL 44 H VAL 44 5.619 0.908 5.446 340 HA VAL 44 HA VAL 44 3.888 1.063 7.744 341 HB VAL 44 HB VAL 44 4.387 2.488 5.166 342 HG11 VAL 44 1HG1 VAL 44 1.616 2.535 6.381 343 HG12 VAL 44 2HG1 VAL 44 2.268 3.731 5.235 344 HG13 VAL 44 3HG1 VAL 44 2.088 2.052 4.728 345 HG21 VAL 44 3HG2 VAL 44 5.223 3.303 7.322 346 HG22 VAL 44 1HG2 VAL 44 4.033 4.442 6.651 347 HG23 VAL 44 2HG2 VAL 44 3.565 3.364 7.961 348 H ILE 45 H ILE 45 3.659 -0.139 4.377 349 HA ILE 45 HA ILE 45 0.916 -0.909 4.685 350 HB ILE 45 HB ILE 45 2.919 -2.035 2.739 351 HG12 ILE 45 2HG1 ILE 45 1.099 0.242 1.919 352 HG13 ILE 45 3HG1 ILE 45 2.521 0.675 2.844 353 HG21 ILE 45 1HG2 ILE 45 -0.115 -1.606 2.537 354 HG22 ILE 45 2HG2 ILE 45 0.905 -2.348 1.288 355 HG23 ILE 45 3HG2 ILE 45 0.670 -3.146 2.856 356 HD11 ILE 45 3HD1 ILE 45 4.008 -0.335 1.202 357 HD12 ILE 45 1HD1 ILE 45 2.626 -0.953 0.281 358 HD13 ILE 45 2HD1 ILE 45 2.908 0.791 0.403 359 H ALA 46 H ALA 46 3.989 -2.711 5.126 360 HA ALA 46 HA ALA 46 2.667 -5.214 5.630 361 HB1 ALA 46 1HB ALA 46 5.404 -4.209 6.568 362 HB2 ALA 46 2HB ALA 46 4.831 -5.891 6.643 363 HB3 ALA 46 3HB ALA 46 5.079 -5.114 5.069 364 H SER 47 H SER 47 3.447 -2.353 7.557 365 HA SER 47 HA SER 47 2.746 -3.722 10.069 366 HB2 SER 47 2HB SER 47 4.675 -2.132 9.794 367 HB3 SER 47 3HB SER 47 3.493 -0.813 9.637 368 HG SER 47 HG SER 47 4.255 -1.098 11.774 369 H PHE 48 H PHE 48 0.827 -2.578 7.625 370 HA PHE 48 HA PHE 48 -0.925 -0.862 8.987 371 HB2 PHE 48 2HB PHE 48 -0.720 -2.044 6.429 372 HB3 PHE 48 3HB PHE 48 -2.304 -2.498 6.969 373 HD1 PHE 48 2HD PHE 48 -2.948 0.076 8.579 374 HD2 PHE 48 1HD PHE 48 -1.228 -0.630 4.683 375 HE1 PHE 48 2HE PHE 48 -3.728 2.305 7.816 376 HE2 PHE 48 1HE PHE 48 -2.007 1.581 3.932 377 HZ PHE 48 HZ PHE 48 -3.276 3.036 5.500 378 H ASN 49 H ASN 49 -0.431 -3.818 10.175 379 HA ASN 49 HA ASN 49 -1.504 -5.300 11.436 380 HB2 ASN 49 2HB ASN 49 -2.535 -3.191 12.419 381 HB3 ASN 49 3HB ASN 49 -3.994 -3.559 11.477 382 HD21 ASN 49 1HD2 ASN 49 -4.151 -3.513 14.285 383 HD22 ASN 49 2HD2 ASN 49 -4.301 -5.172 14.844 384 H ARG 50 H ARG 50 -4.307 -4.144 9.544 385 HA ARG 50 HA ARG 50 -5.444 -6.633 8.933 386 HB2 ARG 50 2HB ARG 50 -5.700 -3.870 8.079 387 HB3 ARG 50 3HB ARG 50 -5.745 -4.909 6.648 388 HG2 ARG 50 2HG ARG 50 -7.596 -6.199 7.638 389 HG3 ARG 50 3HG ARG 50 -7.602 -5.090 9.032 390 HD2 ARG 50 2HD ARG 50 -7.541 -3.524 6.574 391 HD3 ARG 50 3HD ARG 50 -8.797 -4.737 6.413 392 HE ARG 50 HE ARG 50 -10.060 -3.702 7.997 393 HH11 ARG 50 2HH2 ARG 50 -6.843 -2.239 7.979 394 HH12 ARG 50 1HH2 ARG 50 -7.235 -0.967 9.084 395 HH21 ARG 50 2HH1 ARG 50 -10.631 -1.966 9.421 396 HH22 ARG 50 1HH1 ARG 50 -9.464 -0.782 9.874 397 H MET 51 H MET 51 -2.796 -4.943 7.283 398 HA MET 51 HA MET 51 -2.772 -6.825 5.052 399 HB2 MET 51 2HB MET 51 -1.672 -4.295 5.380 400 HB3 MET 51 3HB MET 51 -0.277 -5.356 5.651 401 HG2 MET 51 2HG MET 51 -0.158 -5.169 3.403 402 HG3 MET 51 3HG MET 51 -1.197 -6.586 3.481 403 HE1 MET 51 3HE MET 51 -4.082 -6.210 3.284 404 HE2 MET 51 1HE MET 51 -3.913 -4.923 4.498 405 HE3 MET 51 2HE MET 51 -4.715 -4.584 2.969 406 H LYS 52 H LYS 52 -0.942 -6.395 8.146 407 HA LYS 52 HA LYS 52 0.936 -8.437 7.631 408 HB2 LYS 52 2HB LYS 52 0.817 -6.590 9.470 409 HB3 LYS 52 3HB LYS 52 -0.169 -7.716 10.382 410 HG2 LYS 52 2HG LYS 52 2.446 -8.701 9.218 411 HG3 LYS 52 3HG LYS 52 2.513 -7.595 10.595 412 HD2 LYS 52 2HD LYS 52 1.190 -9.054 11.970 413 HD3 LYS 52 3HD LYS 52 0.836 -10.127 10.601 414 HE2 LYS 52 2HE LYS 52 3.274 -10.598 10.354 415 HE3 LYS 52 3HE LYS 52 3.598 -9.594 11.778 416 HZ1 LYS 52 3HZ LYS 52 1.964 -12.051 11.728 417 HZ2 LYS 52 1HZ LYS 52 3.485 -11.925 12.335 418 HZ3 LYS 52 2HZ LYS 52 2.244 -11.127 13.067 419 H THR 53 H THR 53 -2.435 -8.510 8.861 420 HA THR 53 HA THR 53 -2.312 -11.301 9.548 421 HB THR 53 HB THR 53 -4.802 -10.899 9.885 422 HG1 THR 53 1HG THR 53 -5.150 -9.178 8.451 423 HG21 THR 53 1HG2 THR 53 -2.843 -8.899 11.106 424 HG22 THR 53 2HG2 THR 53 -4.403 -9.373 11.797 425 HG23 THR 53 3HG2 THR 53 -3.091 -10.570 11.659 426 H ILE 54 H ILE 54 -3.878 -9.470 6.836 427 HA ILE 54 HA ILE 54 -5.040 -11.869 5.705 428 HB ILE 54 HB ILE 54 -4.527 -9.111 4.538 429 HG12 ILE 54 2HG1 ILE 54 -6.148 -9.329 6.518 430 HG13 ILE 54 3HG1 ILE 54 -6.663 -8.460 5.072 431 HG21 ILE 54 1HG2 ILE 54 -4.723 -10.624 2.661 432 HG22 ILE 54 2HG2 ILE 54 -6.135 -11.406 3.370 433 HG23 ILE 54 3HG2 ILE 54 -6.228 -9.716 2.808 434 HD11 ILE 54 3HD1 ILE 54 -7.971 -10.330 4.323 435 HD12 ILE 54 1HD1 ILE 54 -7.309 -11.372 5.610 436 HD13 ILE 54 2HD1 ILE 54 -8.382 -10.007 6.016 437 H SER 55 H SER 55 -2.055 -10.108 5.296 438 HA SER 55 HA SER 55 -1.130 -11.683 2.981 439 HB2 SER 55 2HB SER 55 -0.477 -9.166 3.689 440 HB3 SER 55 3HB SER 55 0.662 -9.974 4.754 441 HG SER 55 HG SER 55 1.651 -10.836 2.988 442 H THR 56 H THR 56 -0.618 -11.508 6.458 443 HA THR 56 HA THR 56 0.172 -12.977 7.914 444 HB THR 56 HB THR 56 0.331 -14.951 5.617 445 HG1 THR 56 1HG THR 56 -1.799 -13.830 6.877 446 HG21 THR 56 1HG2 THR 56 1.487 -15.729 7.697 447 HG22 THR 56 2HG2 THR 56 0.044 -15.306 8.650 448 HG23 THR 56 3HG2 THR 56 -0.032 -16.618 7.457 449 H ASP 57 H ASP 57 2.114 -12.554 4.879 450 HA ASP 57 HA ASP 57 4.527 -12.292 6.456 451 HB2 ASP 57 2HB ASP 57 4.459 -14.683 5.794 452 HB3 ASP 57 3HB ASP 57 4.109 -14.208 4.117 453 H LEU 58 H LEU 58 6.118 -11.276 5.127 454 HA LEU 58 HA LEU 58 5.031 -9.080 3.547 455 HB2 LEU 58 2HB LEU 58 7.909 -9.824 4.235 456 HB3 LEU 58 3HB LEU 58 7.459 -8.446 3.241 457 HG LEU 58 HG LEU 58 5.851 -7.910 5.337 458 HD11 LEU 58 1HD1 LEU 58 7.077 -8.319 7.442 459 HD12 LEU 58 2HD1 LEU 58 6.638 -9.858 6.683 460 HD13 LEU 58 3HD1 LEU 58 8.304 -9.256 6.566 461 HD21 LEU 58 3HD2 LEU 58 8.813 -7.224 5.129 462 HD22 LEU 58 1HD2 LEU 58 7.473 -6.370 4.331 463 HD23 LEU 58 2HD2 LEU 58 7.610 -6.339 6.094 464 H GLN 59 H GLN 59 5.941 -12.213 2.644 465 HA GLN 59 HA GLN 59 6.971 -11.691 0.014 466 HB2 GLN 59 2HB GLN 59 7.301 -13.795 1.237 467 HB3 GLN 59 3HB GLN 59 5.554 -14.113 1.197 468 HG2 GLN 59 2HG GLN 59 5.624 -14.220 -1.275 469 HG3 GLN 59 3HG GLN 59 7.350 -13.828 -1.257 470 HE21 GLN 59 1HE2 GLN 59 8.602 -15.429 0.460 471 HE22 GLN 59 2HE2 GLN 59 8.205 -17.113 0.155 472 H LEU 60 H LEU 60 3.715 -12.369 1.443 473 HA LEU 60 HA LEU 60 2.442 -12.199 -1.169 474 HB2 LEU 60 2HB LEU 60 1.638 -12.781 1.603 475 HB3 LEU 60 3HB LEU 60 0.496 -11.691 0.816 476 HG LEU 60 HG LEU 60 1.469 -14.230 -0.520 477 HD11 LEU 60 1HD1 LEU 60 -0.658 -15.265 0.263 478 HD12 LEU 60 2HD1 LEU 60 0.383 -14.806 1.618 479 HD13 LEU 60 3HD1 LEU 60 -1.011 -13.800 1.207 480 HD21 LEU 60 3HD2 LEU 60 0.364 -12.266 -1.837 481 HD22 LEU 60 1HD2 LEU 60 -0.327 -13.854 -2.054 482 HD23 LEU 60 2HD2 LEU 60 -1.119 -12.680 -0.971 483 H ILE 61 H ILE 61 3.237 -9.912 1.399 484 HA ILE 61 HA ILE 61 1.613 -7.834 0.271 485 HB ILE 61 HB ILE 61 3.031 -8.166 2.625 486 HG12 ILE 61 2HG1 ILE 61 0.893 -7.025 2.198 487 HG13 ILE 61 3HG1 ILE 61 1.950 -6.141 3.299 488 HG21 ILE 61 1HG2 ILE 61 5.149 -7.255 1.772 489 HG22 ILE 61 2HG2 ILE 61 4.319 -5.785 1.224 490 HG23 ILE 61 3HG2 ILE 61 4.414 -6.166 2.947 491 HD11 ILE 61 3HD1 ILE 61 2.440 -4.466 1.695 492 HD12 ILE 61 1HD1 ILE 61 1.914 -5.467 0.331 493 HD13 ILE 61 2HD1 ILE 61 0.713 -4.815 1.419 494 H THR 62 H THR 62 4.979 -8.835 -0.231 495 HA THR 62 HA THR 62 5.516 -6.430 -1.814 496 HB THR 62 HB THR 62 7.245 -7.690 -0.441 497 HG1 THR 62 1HG THR 62 8.818 -7.047 -1.865 498 HG21 THR 62 1HG2 THR 62 7.448 -9.431 -2.933 499 HG22 THR 62 2HG2 THR 62 8.525 -9.441 -1.520 500 HG23 THR 62 3HG2 THR 62 6.848 -9.968 -1.349 501 H GLU 63 H GLU 63 4.555 -9.780 -2.436 502 HA GLU 63 HA GLU 63 4.699 -9.580 -5.303 503 HB2 GLU 63 2HB GLU 63 4.499 -11.760 -4.098 504 HB3 GLU 63 3HB GLU 63 2.907 -11.271 -3.489 505 HG2 GLU 63 2HG GLU 63 2.175 -11.035 -5.938 506 HG3 GLU 63 3HG GLU 63 3.712 -11.775 -6.382 507 H ALA 64 H ALA 64 2.139 -8.911 -2.926 508 HA ALA 64 HA ALA 64 0.058 -8.425 -4.823 509 HB1 ALA 64 1HB ALA 64 -0.360 -8.670 -2.434 510 HB2 ALA 64 2HB ALA 64 0.516 -7.156 -2.091 511 HB3 ALA 64 3HB ALA 64 -1.004 -7.117 -3.017 512 H LEU 65 H LEU 65 2.540 -6.278 -3.419 513 HA LEU 65 HA LEU 65 1.592 -3.862 -4.697 514 HB2 LEU 65 2HB LEU 65 4.205 -4.711 -3.397 515 HB3 LEU 65 3HB LEU 65 3.978 -3.115 -4.101 516 HG LEU 65 HG LEU 65 2.076 -4.181 -1.991 517 HD11 LEU 65 1HD1 LEU 65 4.534 -2.423 -1.540 518 HD12 LEU 65 2HD1 LEU 65 3.378 -3.008 -0.317 519 HD13 LEU 65 3HD1 LEU 65 4.437 -4.157 -1.139 520 HD21 LEU 65 3HD2 LEU 65 1.610 -1.785 -1.649 521 HD22 LEU 65 1HD2 LEU 65 2.818 -1.355 -2.876 522 HD23 LEU 65 2HD2 LEU 65 1.324 -2.201 -3.340 523 H LYS 66 H LYS 66 3.958 -6.399 -5.526 524 HA LYS 66 HA LYS 66 5.002 -5.087 -7.862 525 HB2 LYS 66 2HB LYS 66 6.066 -6.983 -6.594 526 HB3 LYS 66 3HB LYS 66 4.870 -8.072 -7.320 527 HG2 LYS 66 2HG LYS 66 5.689 -7.419 -9.582 528 HG3 LYS 66 3HG LYS 66 6.871 -6.323 -8.835 529 HD2 LYS 66 2HD LYS 66 7.954 -8.244 -7.706 530 HD3 LYS 66 3HD LYS 66 6.713 -9.327 -8.357 531 HE2 LYS 66 2HE LYS 66 8.098 -9.678 -10.089 532 HE3 LYS 66 3HE LYS 66 7.569 -8.091 -10.657 533 HZ1 LYS 66 3HZ LYS 66 9.955 -8.251 -10.623 534 HZ2 LYS 66 1HZ LYS 66 9.487 -7.139 -9.506 535 HZ3 LYS 66 2HZ LYS 66 9.972 -8.638 -9.027 536 H LYS 67 H LYS 67 2.130 -7.039 -7.309 537 HA LYS 67 HA LYS 67 1.356 -6.700 -10.183 538 HB2 LYS 67 2HB LYS 67 0.507 -8.669 -8.014 539 HB3 LYS 67 3HB LYS 67 -0.487 -8.370 -9.440 540 HG2 LYS 67 2HG LYS 67 1.410 -8.998 -10.913 541 HG3 LYS 67 3HG LYS 67 2.317 -9.518 -9.471 542 HD2 LYS 67 2HD LYS 67 0.591 -11.153 -8.915 543 HD3 LYS 67 3HD LYS 67 -0.504 -10.488 -10.140 544 HE2 LYS 67 2HE LYS 67 1.189 -11.129 -11.904 545 HE3 LYS 67 3HE LYS 67 2.074 -12.011 -10.644 546 HZ1 LYS 67 3HZ LYS 67 0.538 -13.471 -11.827 547 HZ2 LYS 67 1HZ LYS 67 -0.010 -13.301 -10.287 548 HZ3 LYS 67 2HZ LYS 67 -0.732 -12.515 -11.485 549 H SER 68 H SER 68 1.304 -4.349 -8.434 550 HA SER 68 HA SER 68 -1.224 -4.094 -7.277 551 HB2 SER 68 2HB SER 68 0.783 -2.082 -8.299 552 HB3 SER 68 3HB SER 68 -0.813 -1.585 -7.686 553 HG SER 68 HG SER 68 1.223 -2.902 -6.342 554 H THR 69 H THR 69 -2.955 -2.617 -7.957 555 HA THR 69 HA THR 69 -3.716 -3.142 -10.785 556 HB THR 69 HB THR 69 -4.989 -4.462 -9.249 557 HG1 THR 69 1HG THR 69 -6.153 -3.700 -10.957 558 HG21 THR 69 1HG2 THR 69 -6.298 -2.068 -7.920 559 HG22 THR 69 2HG2 THR 69 -6.279 -3.747 -7.397 560 HG23 THR 69 3HG2 THR 69 -4.836 -2.756 -7.226 561 H ARG 70 H ARG 70 -4.634 -0.829 -8.163 562 HA ARG 70 HA ARG 70 -4.733 1.320 -10.235 563 HB2 ARG 70 2HB ARG 70 -6.321 0.726 -7.739 564 HB3 ARG 70 3HB ARG 70 -6.136 2.399 -8.260 565 HG2 ARG 70 2HG ARG 70 -8.141 1.726 -9.231 566 HG3 ARG 70 3HG ARG 70 -6.985 1.660 -10.562 567 HD2 ARG 70 2HD ARG 70 -6.803 -0.787 -10.300 568 HD3 ARG 70 3HD ARG 70 -7.858 -0.712 -8.870 569 HE ARG 70 HE ARG 70 -8.862 0.298 -11.454 570 HH11 ARG 70 2HH2 ARG 70 -8.888 -2.387 -9.151 571 HH12 ARG 70 1HH2 ARG 70 -10.549 -2.792 -9.334 572 HH21 ARG 70 2HH1 ARG 70 -10.967 -0.435 -12.046 573 HH22 ARG 70 1HH1 ARG 70 -11.659 -1.816 -11.271 574 H LEU 71 H LEU 71 -2.393 0.140 -8.435 575 HA LEU 71 HA LEU 71 -1.346 2.774 -7.948 576 HB2 LEU 71 2HB LEU 71 -0.710 0.491 -6.012 577 HB3 LEU 71 3HB LEU 71 -0.278 2.151 -5.963 578 HG LEU 71 HG LEU 71 -2.828 2.653 -5.644 579 HD11 LEU 71 1HD1 LEU 71 -3.845 0.726 -4.316 580 HD12 LEU 71 2HD1 LEU 71 -3.794 0.492 -6.057 581 HD13 LEU 71 3HD1 LEU 71 -2.593 -0.314 -5.018 582 HD21 LEU 71 3HD2 LEU 71 -1.125 1.293 -3.511 583 HD22 LEU 71 1HD2 LEU 71 -1.098 3.021 -3.929 584 HD23 LEU 71 2HD2 LEU 71 -2.546 2.317 -3.202 585 H GLN 72 H GLN 72 1.187 2.392 -7.828 586 HA GLN 72 HA GLN 72 1.992 0.002 -9.393 587 HB2 GLN 72 2HB GLN 72 1.475 2.073 -10.841 588 HB3 GLN 72 3HB GLN 72 2.879 2.833 -10.097 589 HG2 GLN 72 2HG GLN 72 4.274 1.723 -11.491 590 HG3 GLN 72 3HG GLN 72 3.609 0.160 -11.012 591 HE21 GLN 72 1HE2 GLN 72 2.076 -0.894 -12.417 592 HE22 GLN 72 2HE2 GLN 72 1.608 -0.148 -13.936 593 H VAL 73 H VAL 73 3.758 -0.913 -8.373 594 HA VAL 73 HA VAL 73 5.091 0.664 -6.282 595 HB VAL 73 HB VAL 73 4.153 -1.659 -5.910 596 HG11 VAL 73 1HG1 VAL 73 6.669 -2.519 -7.409 597 HG12 VAL 73 2HG1 VAL 73 5.601 -3.552 -6.469 598 HG13 VAL 73 3HG1 VAL 73 4.996 -2.770 -7.954 599 HG21 VAL 73 3HG2 VAL 73 6.089 -2.374 -4.508 600 HG22 VAL 73 1HG2 VAL 73 7.063 -1.093 -5.256 601 HG23 VAL 73 2HG2 VAL 73 5.642 -0.693 -4.274 602 H SER 74 H SER 74 7.237 1.120 -6.338 603 HA SER 74 HA SER 74 8.679 1.171 -8.852 604 HB2 SER 74 2HB SER 74 9.037 2.793 -6.944 605 HB3 SER 74 3HB SER 74 9.743 1.452 -6.017 606 HG SER 74 HG SER 74 10.720 2.745 -8.325 607 H GLU 75 H GLU 75 10.803 0.077 -9.114 608 HA GLU 75 HA GLU 75 10.522 -2.770 -8.830 609 HB2 GLU 75 2HB GLU 75 12.791 -0.941 -9.696 610 HB3 GLU 75 3HB GLU 75 12.934 -2.712 -9.672 611 HG2 GLU 75 2HG GLU 75 11.017 -2.942 -11.179 612 HG3 GLU 75 3HG GLU 75 10.757 -1.194 -11.180 613 H ASP 76 H ASP 76 11.720 -0.282 -6.670 614 HA ASP 76 HA ASP 76 13.449 -2.003 -5.099 615 HB2 ASP 76 2HB ASP 76 12.055 0.649 -4.701 616 HB3 ASP 76 3HB ASP 76 12.597 -0.234 -3.275 617 H GLY 77 H GLY 77 9.946 -1.593 -5.403 618 HA2 GLY 77 2HA GLY 77 8.227 -2.732 -4.296 619 HA3 GLY 77 3HA GLY 77 9.424 -3.673 -3.413 620 H LYS 78 H LYS 78 10.474 -0.612 -2.893 621 HA LYS 78 HA LYS 78 9.155 -0.559 -0.238 622 HB2 LYS 78 2HB LYS 78 11.698 0.778 -1.258 623 HB3 LYS 78 3HB LYS 78 11.101 0.826 0.409 624 HG2 LYS 78 2HG LYS 78 11.298 -1.626 0.594 625 HG3 LYS 78 3HG LYS 78 11.805 -1.734 -1.091 626 HD2 LYS 78 2HD LYS 78 13.769 -1.934 0.148 627 HD3 LYS 78 3HD LYS 78 13.808 -0.294 -0.521 628 HE2 LYS 78 2HE LYS 78 13.102 0.645 1.626 629 HE3 LYS 78 3HE LYS 78 12.784 -0.971 2.276 630 HZ1 LYS 78 3HZ LYS 78 15.440 0.054 1.502 631 HZ2 LYS 78 1HZ LYS 78 14.886 -0.129 3.045 632 HZ3 LYS 78 2HZ LYS 78 15.130 -1.450 2.096 633 H MET 79 H MET 79 8.527 0.898 -3.190 634 HA MET 79 HA MET 79 6.994 2.858 -1.673 635 HB2 MET 79 2HB MET 79 8.905 3.622 -3.961 636 HB3 MET 79 3HB MET 79 7.538 4.615 -3.482 637 HG2 MET 79 2HG MET 79 9.182 5.627 -2.288 638 HG3 MET 79 3HG MET 79 8.585 4.496 -1.081 639 HE1 MET 79 3HE MET 79 11.019 5.726 -0.215 640 HE2 MET 79 1HE MET 79 10.437 4.216 0.522 641 HE3 MET 79 2HE MET 79 12.157 4.397 0.103 642 H VAL 80 H VAL 80 5.051 3.511 -2.775 643 HA VAL 80 HA VAL 80 4.571 2.381 -5.407 644 HB VAL 80 HB VAL 80 3.830 0.546 -4.082 645 HG11 VAL 80 1HG1 VAL 80 2.254 0.780 -2.158 646 HG12 VAL 80 2HG1 VAL 80 3.842 1.485 -1.847 647 HG13 VAL 80 3HG1 VAL 80 2.450 2.527 -2.261 648 HG21 VAL 80 3HG2 VAL 80 2.131 1.266 -5.756 649 HG22 VAL 80 1HG2 VAL 80 1.446 0.418 -4.370 650 HG23 VAL 80 2HG2 VAL 80 1.315 2.181 -4.456 651 H ARG 81 H ARG 81 2.684 3.379 -6.390 652 HA ARG 81 HA ARG 81 1.945 5.986 -5.092 653 HB2 ARG 81 2HB ARG 81 2.070 5.802 -8.105 654 HB3 ARG 81 3HB ARG 81 2.069 7.193 -7.046 655 HG2 ARG 81 2HG ARG 81 4.196 7.152 -7.998 656 HG3 ARG 81 3HG ARG 81 4.468 6.467 -6.393 657 HD2 ARG 81 2HD ARG 81 4.851 4.308 -7.227 658 HD3 ARG 81 3HD ARG 81 3.990 4.648 -8.734 659 HE ARG 81 HE ARG 81 5.887 5.389 -9.660 660 HH11 ARG 81 2HH2 ARG 81 6.371 5.676 -6.130 661 HH12 ARG 81 1HH2 ARG 81 8.014 6.121 -6.249 662 HH21 ARG 81 2HH1 ARG 81 8.082 6.105 -9.809 663 HH22 ARG 81 1HH1 ARG 81 9.001 6.408 -8.382 664 H ARG 82 H ARG 82 -0.245 6.394 -5.122 665 HA ARG 82 HA ARG 82 -2.050 4.485 -6.412 666 HB2 ARG 82 2HB ARG 82 -3.797 5.809 -5.395 667 HB3 ARG 82 3HB ARG 82 -2.515 5.569 -4.208 668 HG2 ARG 82 2HG ARG 82 -1.598 7.836 -4.783 669 HG3 ARG 82 3HG ARG 82 -2.960 8.122 -5.850 670 HD2 ARG 82 2HD ARG 82 -3.388 7.350 -2.961 671 HD3 ARG 82 3HD ARG 82 -2.947 8.992 -3.415 672 HE ARG 82 HE ARG 82 -4.999 9.387 -4.321 673 HH11 ARG 82 2HH2 ARG 82 -4.822 5.908 -3.754 674 HH12 ARG 82 1HH2 ARG 82 -6.521 5.642 -3.789 675 HH21 ARG 82 2HH1 ARG 82 -7.302 9.107 -3.938 676 HH22 ARG 82 1HH1 ARG 82 -7.885 7.524 -3.520 677 H LEU 83 H LEU 83 -4.106 6.045 -7.341 678 HA LEU 83 HA LEU 83 -3.105 7.124 -9.873 679 HB2 LEU 83 2HB LEU 83 -5.716 6.150 -8.707 680 HB3 LEU 83 3HB LEU 83 -5.828 7.379 -9.950 681 HG LEU 83 HG LEU 83 -4.153 4.891 -10.406 682 HD11 LEU 83 1HD1 LEU 83 -6.417 4.146 -9.796 683 HD12 LEU 83 2HD1 LEU 83 -7.129 5.273 -10.965 684 HD13 LEU 83 3HD1 LEU 83 -6.132 3.911 -11.531 685 HD21 LEU 83 3HD2 LEU 83 -3.887 6.833 -11.966 686 HD22 LEU 83 1HD2 LEU 83 -4.619 5.437 -12.772 687 HD23 LEU 83 2HD2 LEU 83 -5.636 6.806 -12.276 688 H ASP 84 H ASP 84 -3.393 9.255 -10.457 689 HA ASP 84 HA ASP 84 -3.473 11.322 -8.555 690 HB2 ASP 84 2HB ASP 84 -3.217 11.059 -11.425 691 HB3 ASP 84 3HB ASP 84 -4.380 12.336 -11.080 692 HA PRO 85 HA PRO 85 -8.026 12.173 -9.504 693 HB2 PRO 85 2HB PRO 85 -9.600 10.426 -10.915 694 HB3 PRO 85 3HB PRO 85 -8.585 11.676 -11.708 695 HG2 PRO 85 2HG PRO 85 -7.896 8.757 -11.225 696 HG3 PRO 85 3HG PRO 85 -7.784 9.676 -12.764 697 HD2 PRO 85 2HD PRO 85 -5.625 9.325 -11.183 698 HD3 PRO 85 3HD PRO 85 -5.899 10.890 -12.002 699 H LEU 86 H LEU 86 -9.957 11.517 -8.329 700 HA LEU 86 HA LEU 86 -9.334 9.813 -6.157 701 HB2 LEU 86 2HB LEU 86 -11.502 10.265 -5.313 702 HB3 LEU 86 3HB LEU 86 -10.912 11.746 -6.020 703 HG LEU 86 HG LEU 86 -12.684 9.969 -7.727 704 HD11 LEU 86 1HD1 LEU 86 -14.685 10.945 -6.714 705 HD12 LEU 86 2HD1 LEU 86 -13.802 9.957 -5.555 706 HD13 LEU 86 3HD1 LEU 86 -13.688 11.737 -5.461 707 HD21 LEU 86 3HD2 LEU 86 -12.505 12.994 -7.326 708 HD22 LEU 86 1HD2 LEU 86 -11.801 12.083 -8.688 709 HD23 LEU 86 2HD2 LEU 86 -13.548 12.142 -8.486 710 HA PRO 87 HA PRO 87 -10.674 5.907 -7.736 711 HB2 PRO 87 2HB PRO 87 -11.432 4.596 -5.404 712 HB3 PRO 87 3HB PRO 87 -9.742 4.836 -5.931 713 HG2 PRO 87 2HG PRO 87 -11.147 6.142 -3.681 714 HG3 PRO 87 3HG PRO 87 -9.399 6.081 -4.099 715 HD2 PRO 87 2HD PRO 87 -11.311 8.214 -4.588 716 HD3 PRO 87 3HD PRO 87 -9.536 8.223 -4.806 717 H GLU 88 H GLU 88 -12.573 5.363 -8.729 718 HA GLU 88 HA GLU 88 -15.116 6.282 -7.494 719 HB2 GLU 88 2HB GLU 88 -14.011 6.819 -10.003 720 HB3 GLU 88 3HB GLU 88 -15.106 5.492 -10.358 721 HG2 GLU 88 2HG GLU 88 -16.315 7.533 -10.644 722 HG3 GLU 88 3HG GLU 88 -16.939 6.756 -9.184 723 H ASN 89 H ASN 89 -15.678 4.550 -6.230 724 HA ASN 89 HA ASN 89 -16.169 2.431 -5.545 725 HB2 ASN 89 2HB ASN 89 -17.080 2.122 -8.422 726 HB3 ASN 89 3HB ASN 89 -17.531 1.077 -7.078 727 HD21 ASN 89 1HD2 ASN 89 -18.939 3.354 -8.922 728 HD22 ASN 89 2HD2 ASN 89 -19.920 4.138 -7.690 729 H ILE 90 H ILE 90 -13.503 2.471 -5.867 730 HA ILE 90 HA ILE 90 -12.847 0.263 -7.697 731 HB ILE 90 HB ILE 90 -11.156 2.084 -5.936 732 HG12 ILE 90 2HG1 ILE 90 -12.188 3.232 -7.858 733 HG13 ILE 90 3HG1 ILE 90 -10.436 3.191 -7.957 734 HG21 ILE 90 1HG2 ILE 90 -10.239 -0.059 -7.894 735 HG22 ILE 90 2HG2 ILE 90 -9.185 1.198 -7.181 736 HG23 ILE 90 3HG2 ILE 90 -9.953 0.003 -6.144 737 HD11 ILE 90 3HD1 ILE 90 -10.521 1.429 -9.651 738 HD12 ILE 90 1HD1 ILE 90 -12.292 1.318 -9.502 739 HD13 ILE 90 2HD1 ILE 90 -11.539 2.785 -10.142 740 H ASP 91 H ASP 91 -12.650 -1.815 -6.986 741 HA ASP 91 HA ASP 91 -11.565 -2.455 -4.448 742 HB2 ASP 91 2HB ASP 91 -14.326 -2.162 -4.370 743 HB3 ASP 91 3HB ASP 91 -14.172 -3.869 -4.744 Start of MODEL 30 1 H1 MET 1 H1 MET 1 -1.638 -15.668 -3.433 2 H2 MET 1 H2 MET 1 -0.113 -15.049 -3.172 3 H3 MET 1 H3 MET 1 -1.115 -14.286 -4.184 4 HA MET 1 HA MET 1 0.537 -15.396 -5.352 5 HB2 MET 1 2HB MET 1 0.907 -17.706 -5.365 6 HB3 MET 1 3HB MET 1 0.902 -17.171 -3.694 7 HG2 MET 1 2HG MET 1 -0.261 -19.126 -3.501 8 HG3 MET 1 3HG MET 1 -1.588 -17.990 -3.677 9 HE1 MET 1 1HE MET 1 -0.170 -21.205 -6.694 10 HE2 MET 1 2HE MET 1 0.938 -20.129 -5.812 11 HE3 MET 1 3HE MET 1 -0.036 -21.328 -4.927 12 H SER 2 H SER 2 -2.707 -17.124 -5.126 13 HA SER 2 HA SER 2 -2.981 -16.884 -7.974 14 HB2 SER 2 2HB SER 2 -4.038 -18.684 -6.567 15 HB3 SER 2 3HB SER 2 -5.118 -17.451 -5.873 16 HG SER 2 HG SER 2 -6.031 -18.554 -7.692 17 H GLU 3 H GLU 3 -5.141 -15.851 -8.761 18 HA GLU 3 HA GLU 3 -4.776 -13.010 -8.379 19 HB2 GLU 3 2HB GLU 3 -5.763 -14.605 -10.404 20 HB3 GLU 3 3HB GLU 3 -7.269 -13.963 -9.729 21 HG2 GLU 3 2HG GLU 3 -6.428 -11.660 -10.019 22 HG3 GLU 3 3HG GLU 3 -4.847 -12.280 -10.525 23 H GLU 4 H GLU 4 -7.272 -15.314 -7.184 24 HA GLU 4 HA GLU 4 -8.892 -13.292 -5.967 25 HB2 GLU 4 2HB GLU 4 -8.323 -16.181 -5.176 26 HB3 GLU 4 3HB GLU 4 -9.561 -15.173 -4.404 27 HG2 GLU 4 2HG GLU 4 -10.784 -14.935 -6.482 28 HG3 GLU 4 3HG GLU 4 -9.503 -15.742 -7.398 29 H THR 5 H THR 5 -6.110 -15.164 -4.601 30 HA THR 5 HA THR 5 -6.270 -13.926 -2.065 31 HB THR 5 HB THR 5 -3.660 -14.813 -3.345 32 HG1 THR 5 1HG THR 5 -5.712 -16.511 -2.406 33 HG21 THR 5 1HG2 THR 5 -4.811 -15.131 -0.538 34 HG22 THR 5 2HG2 THR 5 -3.227 -15.722 -1.078 35 HG23 THR 5 3HG2 THR 5 -3.554 -13.979 -1.028 36 H SER 6 H SER 6 -4.160 -13.190 -4.846 37 HA SER 6 HA SER 6 -2.762 -11.044 -3.694 38 HB2 SER 6 2HB SER 6 -2.284 -12.359 -5.848 39 HB3 SER 6 3HB SER 6 -3.494 -11.335 -6.640 40 HG SER 6 HG SER 6 -1.071 -10.548 -5.368 41 H THR 7 H THR 7 -5.758 -11.119 -5.612 42 HA THR 7 HA THR 7 -6.216 -8.311 -5.524 43 HB THR 7 HB THR 7 -8.130 -10.577 -6.161 44 HG1 THR 7 1HG THR 7 -6.692 -10.525 -7.740 45 HG21 THR 7 1HG2 THR 7 -9.447 -8.585 -5.641 46 HG22 THR 7 2HG2 THR 7 -8.387 -7.592 -6.681 47 HG23 THR 7 3HG2 THR 7 -9.412 -8.853 -7.399 48 H GLN 8 H GLN 8 -7.124 -10.811 -3.143 49 HA GLN 8 HA GLN 8 -8.909 -9.066 -1.689 50 HB2 GLN 8 2HB GLN 8 -6.988 -11.252 -0.758 51 HB3 GLN 8 3HB GLN 8 -8.025 -10.348 0.300 52 HG2 GLN 8 2HG GLN 8 -9.693 -11.305 -1.840 53 HG3 GLN 8 3HG GLN 8 -8.686 -12.652 -1.303 54 HE21 GLN 8 1HE2 GLN 8 -10.960 -10.096 -0.089 55 HE22 GLN 8 2HE2 GLN 8 -11.431 -11.047 1.313 56 H ILE 9 H ILE 9 -5.381 -9.424 -1.832 57 HA ILE 9 HA ILE 9 -5.026 -7.595 0.405 58 HB ILE 9 HB ILE 9 -2.874 -8.354 -1.618 59 HG12 ILE 9 2HG1 ILE 9 -4.091 -10.023 0.594 60 HG13 ILE 9 3HG1 ILE 9 -3.692 -10.452 -1.067 61 HG21 ILE 9 1HG2 ILE 9 -2.355 -6.569 0.020 62 HG22 ILE 9 2HG2 ILE 9 -2.777 -7.680 1.351 63 HG23 ILE 9 3HG2 ILE 9 -1.373 -7.994 0.309 64 HD11 ILE 9 3HD1 ILE 9 -2.167 -11.563 0.363 65 HD12 ILE 9 1HD1 ILE 9 -1.277 -10.312 -0.531 66 HD13 ILE 9 2HD1 ILE 9 -1.724 -10.060 1.178 67 H LEU 10 H LEU 10 -5.067 -7.483 -3.110 68 HA LEU 10 HA LEU 10 -3.869 -4.937 -3.336 69 HB2 LEU 10 2HB LEU 10 -4.529 -7.016 -5.073 70 HB3 LEU 10 3HB LEU 10 -5.673 -5.767 -5.531 71 HG LEU 10 HG LEU 10 -2.658 -5.844 -5.677 72 HD11 LEU 10 1HD1 LEU 10 -3.938 -6.547 -7.578 73 HD12 LEU 10 2HD1 LEU 10 -4.970 -5.113 -7.522 74 HD13 LEU 10 3HD1 LEU 10 -3.259 -4.975 -7.976 75 HD21 LEU 10 3HD2 LEU 10 -2.860 -3.310 -6.286 76 HD22 LEU 10 1HD2 LEU 10 -4.275 -3.335 -5.237 77 HD23 LEU 10 2HD2 LEU 10 -2.673 -3.782 -4.620 78 H LYS 11 H LYS 11 -7.267 -6.036 -3.375 79 HA LYS 11 HA LYS 11 -8.288 -3.334 -3.729 80 HB2 LYS 11 2HB LYS 11 -9.504 -5.992 -3.398 81 HB3 LYS 11 3HB LYS 11 -10.281 -4.822 -2.353 82 HG2 LYS 11 2HG LYS 11 -11.458 -4.008 -4.064 83 HG3 LYS 11 3HG LYS 11 -9.984 -3.498 -4.872 84 HD2 LYS 11 2HD LYS 11 -11.107 -4.884 -6.412 85 HD3 LYS 11 3HD LYS 11 -9.767 -5.865 -5.779 86 HE2 LYS 11 2HE LYS 11 -11.332 -6.988 -4.222 87 HE3 LYS 11 3HE LYS 11 -12.647 -5.927 -4.748 88 HZ1 LYS 11 3HZ LYS 11 -12.449 -6.882 -6.956 89 HZ2 LYS 11 1HZ LYS 11 -11.245 -7.879 -6.463 90 HZ3 LYS 11 2HZ LYS 11 -12.763 -8.051 -5.844 91 H GLN 12 H GLN 12 -6.964 -5.087 -1.048 92 HA GLN 12 HA GLN 12 -8.219 -3.324 0.923 93 HB2 GLN 12 2HB GLN 12 -7.217 -5.756 1.251 94 HB3 GLN 12 3HB GLN 12 -5.711 -4.886 1.476 95 HG2 GLN 12 2HG GLN 12 -6.506 -5.009 3.649 96 HG3 GLN 12 3HG GLN 12 -7.159 -3.435 3.173 97 HE21 GLN 12 1HE2 GLN 12 -9.576 -3.332 2.647 98 HE22 GLN 12 2HE2 GLN 12 -10.562 -4.677 3.176 99 H VAL 13 H VAL 13 -5.191 -3.501 -0.936 100 HA VAL 13 HA VAL 13 -3.765 -1.413 0.387 101 HB VAL 13 HB VAL 13 -3.552 -3.041 -2.147 102 HG11 VAL 13 1HG1 VAL 13 -1.517 -1.809 -2.860 103 HG12 VAL 13 2HG1 VAL 13 -3.041 -0.977 -3.134 104 HG13 VAL 13 3HG1 VAL 13 -1.983 -0.484 -1.767 105 HG21 VAL 13 3HG2 VAL 13 -1.610 -2.382 0.087 106 HG22 VAL 13 1HG2 VAL 13 -2.559 -3.882 -0.123 107 HG23 VAL 13 2HG2 VAL 13 -1.286 -3.479 -1.273 108 H GLU 14 H GLU 14 -5.843 -1.458 -2.550 109 HA GLU 14 HA GLU 14 -5.521 1.356 -2.994 110 HB2 GLU 14 2HB GLU 14 -7.273 1.136 -4.652 111 HB3 GLU 14 3HB GLU 14 -6.200 -0.259 -4.740 112 HG2 GLU 14 2HG GLU 14 -8.144 -1.365 -4.862 113 HG3 GLU 14 3HG GLU 14 -7.902 -1.376 -3.134 114 H TYR 15 H TYR 15 -7.852 -0.612 -1.129 115 HA TYR 15 HA TYR 15 -9.828 1.263 -0.797 116 HB2 TYR 15 2HB TYR 15 -10.426 -0.896 -0.227 117 HB3 TYR 15 3HB TYR 15 -8.875 -1.227 0.550 118 HD1 TYR 15 HD2 TYR 15 -11.983 0.761 1.094 119 HD2 TYR 15 HD1 TYR 15 -8.520 -1.177 2.778 120 HE1 TYR 15 HE2 TYR 15 -12.699 1.444 3.354 121 HE2 TYR 15 HE1 TYR 15 -9.241 -0.537 5.029 122 HH TYR 15 HH TYR 15 -11.497 1.947 5.487 123 H TYR 16 H TYR 16 -6.869 0.708 1.171 124 HA TYR 16 HA TYR 16 -7.436 2.442 3.319 125 HB2 TYR 16 2HB TYR 16 -4.784 1.994 1.896 126 HB3 TYR 16 3HB TYR 16 -4.980 2.628 3.526 127 HD1 TYR 16 HD1 TYR 16 -7.211 0.593 4.343 128 HD2 TYR 16 HD2 TYR 16 -3.328 0.210 2.515 129 HE1 TYR 16 HE1 TYR 16 -6.997 -1.667 5.278 130 HE2 TYR 16 HE2 TYR 16 -3.080 -2.034 3.478 131 HH TYR 16 HH TYR 16 -4.109 -3.698 4.771 132 H PHE 17 H PHE 17 -6.799 3.328 0.064 133 HA PHE 17 HA PHE 17 -6.226 6.118 0.804 134 HB2 PHE 17 2HB PHE 17 -4.913 4.420 -0.824 135 HB3 PHE 17 3HB PHE 17 -6.068 5.032 -2.002 136 HD1 PHE 17 1HD PHE 17 -3.212 5.750 0.201 137 HD2 PHE 17 2HD PHE 17 -6.066 7.478 -2.556 138 HE1 PHE 17 1HE PHE 17 -1.832 7.794 0.033 139 HE2 PHE 17 2HE PHE 17 -4.677 9.526 -2.696 140 HZ PHE 17 HZ PHE 17 -2.571 9.690 -1.387 141 H SER 18 H SER 18 -8.326 4.017 -1.137 142 HA SER 18 HA SER 18 -9.701 6.129 -2.454 143 HB2 SER 18 2HB SER 18 -9.219 3.693 -3.154 144 HB3 SER 18 3HB SER 18 -10.612 3.251 -2.147 145 HG SER 18 HG SER 18 -10.512 4.995 -4.396 146 H ASP 19 H ASP 19 -10.168 4.534 0.702 147 HA ASP 19 HA ASP 19 -12.922 5.543 0.882 148 HB2 ASP 19 2HB ASP 19 -13.058 4.417 2.947 149 HB3 ASP 19 3HB ASP 19 -12.209 3.317 1.865 150 H SER 20 H SER 20 -10.144 7.032 0.723 151 HA SER 20 HA SER 20 -9.172 8.884 1.484 152 HB2 SER 20 2HB SER 20 -11.961 9.600 2.441 153 HB3 SER 20 3HB SER 20 -10.608 10.725 2.188 154 HG SER 20 HG SER 20 -11.667 9.002 0.191 155 H ASN 21 H ASN 21 -9.180 6.491 3.272 156 HA ASN 21 HA ASN 21 -8.897 7.710 5.896 157 HB2 ASN 21 2HB ASN 21 -9.342 5.300 5.657 158 HB3 ASN 21 3HB ASN 21 -7.781 5.081 4.873 159 HD21 ASN 21 1HD2 ASN 21 -6.144 4.452 6.274 160 HD22 ASN 21 2HD2 ASN 21 -6.059 4.842 7.980 161 H PHE 22 H PHE 22 -6.936 7.765 2.908 162 HA PHE 22 HA PHE 22 -4.397 7.849 4.069 163 HB2 PHE 22 2HB PHE 22 -4.162 7.655 1.907 164 HB3 PHE 22 3HB PHE 22 -5.647 8.522 1.525 165 HD1 PHE 22 2HD PHE 22 -2.212 9.318 2.922 166 HD2 PHE 22 1HD PHE 22 -5.478 10.460 0.354 167 HE1 PHE 22 2HE PHE 22 -1.006 11.361 2.289 168 HE2 PHE 22 1HE PHE 22 -4.369 12.522 -0.179 169 HZ PHE 22 HZ PHE 22 -2.056 13.023 0.742 170 HA PRO 23 HA PRO 23 -4.576 12.459 4.597 171 HB2 PRO 23 2HB PRO 23 -6.924 13.901 4.647 172 HB3 PRO 23 3HB PRO 23 -6.013 13.555 3.139 173 HG2 PRO 23 2HG PRO 23 -8.387 12.038 4.272 174 HG3 PRO 23 3HG PRO 23 -8.147 12.625 2.594 175 HD2 PRO 23 2HD PRO 23 -7.580 10.068 3.304 176 HD3 PRO 23 3HD PRO 23 -6.592 10.942 2.127 177 H ARG 24 H ARG 24 -7.171 10.475 5.869 178 HA ARG 24 HA ARG 24 -7.475 11.917 8.370 179 HB2 ARG 24 2HB ARG 24 -9.236 10.621 7.049 180 HB3 ARG 24 3HB ARG 24 -8.422 9.131 7.524 181 HG2 ARG 24 2HG ARG 24 -9.187 11.024 9.726 182 HG3 ARG 24 3HG ARG 24 -10.505 10.223 8.857 183 HD2 ARG 24 2HD ARG 24 -9.549 8.019 9.317 184 HD3 ARG 24 3HD ARG 24 -8.201 8.757 10.204 185 HE ARG 24 HE ARG 24 -10.441 9.807 11.396 186 HH11 ARG 24 2HH2 ARG 24 -9.243 6.549 10.805 187 HH12 ARG 24 1HH2 ARG 24 -9.969 5.837 12.205 188 HH21 ARG 24 2HH1 ARG 24 -11.465 8.901 13.267 189 HH22 ARG 24 1HH1 ARG 24 -11.283 7.228 13.644 190 H ASP 25 H ASP 25 -5.363 9.370 7.211 191 HA ASP 25 HA ASP 25 -4.780 8.593 10.014 192 HB2 ASP 25 2HB ASP 25 -5.654 6.959 8.320 193 HB3 ASP 25 3HB ASP 25 -4.095 7.128 7.481 194 H LYS 26 H LYS 26 -3.275 9.944 10.653 195 HA LYS 26 HA LYS 26 -1.247 11.089 9.118 196 HB2 LYS 26 2HB LYS 26 -0.216 11.838 11.071 197 HB3 LYS 26 3HB LYS 26 -1.928 11.741 11.438 198 HG2 LYS 26 2HG LYS 26 -1.009 10.859 13.352 199 HG3 LYS 26 3HG LYS 26 -1.335 9.371 12.451 200 HD2 LYS 26 2HD LYS 26 1.036 9.228 11.799 201 HD3 LYS 26 3HD LYS 26 1.348 10.843 12.468 202 HE2 LYS 26 2HE LYS 26 0.796 10.010 14.725 203 HE3 LYS 26 3HE LYS 26 0.429 8.410 14.055 204 HZ1 LYS 26 3HZ LYS 26 3.067 9.738 13.956 205 HZ2 LYS 26 1HZ LYS 26 2.654 8.504 14.963 206 HZ3 LYS 26 2HZ LYS 26 2.724 8.253 13.339 207 H PHE 27 H PHE 27 -1.415 7.731 10.109 208 HA PHE 27 HA PHE 27 1.370 7.113 9.983 209 HB2 PHE 27 2HB PHE 27 -0.559 5.704 10.882 210 HB3 PHE 27 3HB PHE 27 -1.023 5.391 9.214 211 HD1 PHE 27 1HD PHE 27 2.241 5.413 11.118 212 HD2 PHE 27 2HD PHE 27 -0.466 3.191 8.595 213 HE1 PHE 27 1HE PHE 27 3.773 3.492 11.175 214 HE2 PHE 27 2HE PHE 27 1.074 1.250 8.678 215 HZ PHE 27 HZ PHE 27 3.183 1.382 9.978 216 H LEU 28 H LEU 28 -1.272 7.113 7.562 217 HA LEU 28 HA LEU 28 0.383 6.275 5.331 218 HB2 LEU 28 2HB LEU 28 -2.264 7.734 5.569 219 HB3 LEU 28 3HB LEU 28 -1.456 7.534 4.019 220 HG LEU 28 HG LEU 28 -1.608 5.015 5.534 221 HD11 LEU 28 1HD1 LEU 28 -4.210 5.228 4.306 222 HD12 LEU 28 2HD1 LEU 28 -3.786 4.888 6.012 223 HD13 LEU 28 3HD1 LEU 28 -4.045 6.518 5.493 224 HD21 LEU 28 3HD2 LEU 28 -0.812 5.236 3.201 225 HD22 LEU 28 1HD2 LEU 28 -2.237 4.184 3.267 226 HD23 LEU 28 2HD2 LEU 28 -2.403 5.851 2.708 227 H ARG 29 H ARG 29 -0.881 9.456 6.309 228 HA ARG 29 HA ARG 29 0.474 10.991 4.395 229 HB2 ARG 29 2HB ARG 29 -0.688 11.611 7.101 230 HB3 ARG 29 3HB ARG 29 0.401 12.795 6.368 231 HG2 ARG 29 2HG ARG 29 -0.946 12.798 4.308 232 HG3 ARG 29 3HG ARG 29 -2.122 11.702 5.060 233 HD2 ARG 29 2HD ARG 29 -2.998 13.368 6.399 234 HD3 ARG 29 3HD ARG 29 -1.411 14.112 6.654 235 HE ARG 29 HE ARG 29 -2.487 14.397 3.957 236 HH11 ARG 29 2HH2 ARG 29 -2.372 15.846 7.167 237 HH12 ARG 29 1HH2 ARG 29 -2.412 17.487 6.623 238 HH21 ARG 29 2HH1 ARG 29 -2.572 16.591 3.181 239 HH22 ARG 29 1HH1 ARG 29 -2.583 17.908 4.293 240 H SER 30 H SER 30 1.807 9.674 7.439 241 HA SER 30 HA SER 30 4.078 11.411 7.431 242 HB2 SER 30 2HB SER 30 3.283 9.980 9.376 243 HB3 SER 30 3HB SER 30 3.895 8.554 8.514 244 HG SER 30 HG SER 30 5.968 9.689 8.516 245 H GLU 31 H GLU 31 3.442 8.246 5.786 246 HA GLU 31 HA GLU 31 6.252 8.308 4.866 247 HB2 GLU 31 2HB GLU 31 4.138 6.277 4.948 248 HB3 GLU 31 3HB GLU 31 4.891 6.368 3.356 249 HG2 GLU 31 2HG GLU 31 6.383 6.079 6.000 250 HG3 GLU 31 3HG GLU 31 6.088 4.786 4.827 251 H ALA 32 H ALA 32 2.978 8.974 3.592 252 HA ALA 32 HA ALA 32 3.703 9.336 0.881 253 HB1 ALA 32 1HB ALA 32 1.383 9.193 1.859 254 HB2 ALA 32 2HB ALA 32 1.595 10.850 2.481 255 HB3 ALA 32 3HB ALA 32 1.592 10.533 0.737 256 H ALA 33 H ALA 33 4.033 11.456 3.706 257 HA ALA 33 HA ALA 33 4.648 13.887 2.424 258 HB1 ALA 33 1HB ALA 33 3.981 13.806 4.744 259 HB2 ALA 33 2HB ALA 33 5.370 12.788 5.177 260 HB3 ALA 33 3HB ALA 33 5.617 14.476 4.669 261 H LYS 34 H LYS 34 6.607 11.056 2.206 262 HA LYS 34 HA LYS 34 9.136 12.542 2.167 263 HB2 LYS 34 2HB LYS 34 8.209 9.689 1.821 264 HB3 LYS 34 3HB LYS 34 9.593 10.176 0.890 265 HG2 LYS 34 2HG LYS 34 10.342 9.211 2.964 266 HG3 LYS 34 3HG LYS 34 10.774 10.918 2.908 267 HD2 LYS 34 2HD LYS 34 8.154 10.550 4.185 268 HD3 LYS 34 3HD LYS 34 9.351 9.523 4.953 269 HE2 LYS 34 2HE LYS 34 9.721 12.510 4.452 270 HE3 LYS 34 3HE LYS 34 9.147 11.812 5.974 271 HZ1 LYS 34 3HZ LYS 34 11.765 11.234 4.738 272 HZ2 LYS 34 1HZ LYS 34 11.518 12.233 6.024 273 HZ3 LYS 34 2HZ LYS 34 11.216 10.618 6.159 274 H ASN 35 H ASN 35 6.489 11.756 -0.057 275 HA ASN 35 HA ASN 35 7.715 13.466 -2.059 276 HB2 ASN 35 2HB ASN 35 8.447 10.771 -2.136 277 HB3 ASN 35 3HB ASN 35 7.147 10.846 -3.312 278 HD21 ASN 35 1HD2 ASN 35 10.092 12.631 -2.260 279 HD22 ASN 35 2HD2 ASN 35 10.631 12.993 -3.899 280 H VAL 36 H VAL 36 5.459 14.000 -0.776 281 HA VAL 36 HA VAL 36 3.308 14.564 -1.009 282 HB VAL 36 HB VAL 36 4.017 14.098 -3.897 283 HG11 VAL 36 1HG1 VAL 36 1.244 14.732 -2.856 284 HG12 VAL 36 2HG1 VAL 36 1.802 15.035 -4.523 285 HG13 VAL 36 3HG1 VAL 36 1.739 13.383 -3.915 286 HG21 VAL 36 3HG2 VAL 36 3.100 16.522 -2.315 287 HG22 VAL 36 1HG2 VAL 36 4.788 16.116 -2.704 288 HG23 VAL 36 2HG2 VAL 36 3.649 16.499 -4.004 289 H ASP 37 H ASP 37 3.395 11.798 -3.225 290 HA ASP 37 HA ASP 37 2.390 9.895 -1.314 291 HB2 ASP 37 2HB ASP 37 0.282 11.159 -1.731 292 HB3 ASP 37 3HB ASP 37 0.436 10.822 -3.460 293 H ASN 38 H ASN 38 4.599 10.211 -3.250 294 HA ASN 38 HA ASN 38 3.939 7.951 -5.096 295 HB2 ASN 38 2HB ASN 38 5.787 10.312 -5.329 296 HB3 ASN 38 3HB ASN 38 6.386 8.776 -5.949 297 HD21 ASN 38 1HD2 ASN 38 3.109 10.294 -6.004 298 HD22 ASN 38 2HD2 ASN 38 2.948 10.169 -7.744 299 H TYR 39 H TYR 39 5.373 8.536 -2.096 300 HA TYR 39 HA TYR 39 7.168 6.193 -2.376 301 HB2 TYR 39 2HB TYR 39 7.654 8.845 -0.965 302 HB3 TYR 39 3HB TYR 39 8.499 7.371 -0.547 303 HD1 TYR 39 HD2 TYR 39 7.782 8.714 -4.047 304 HD2 TYR 39 HD1 TYR 39 10.730 7.861 -1.019 305 HE1 TYR 39 HE2 TYR 39 9.516 9.344 -5.609 306 HE2 TYR 39 HE1 TYR 39 12.515 8.503 -2.619 307 HH TYR 39 HH TYR 39 11.797 9.731 -5.899 308 H ILE 40 H ILE 40 6.271 4.629 -1.112 309 HA ILE 40 HA ILE 40 5.165 5.351 1.478 310 HB ILE 40 HB ILE 40 3.563 3.562 -0.379 311 HG12 ILE 40 2HG1 ILE 40 2.895 6.481 0.202 312 HG13 ILE 40 3HG1 ILE 40 3.543 5.885 -1.332 313 HG21 ILE 40 1HG2 ILE 40 1.841 3.787 1.341 314 HG22 ILE 40 2HG2 ILE 40 3.356 3.314 2.116 315 HG23 ILE 40 3HG2 ILE 40 2.813 5.001 2.202 316 HD11 ILE 40 3HD1 ILE 40 1.597 4.352 -1.552 317 HD12 ILE 40 1HD1 ILE 40 0.846 5.185 -0.165 318 HD13 ILE 40 2HD1 ILE 40 1.223 6.070 -1.658 319 H SER 41 H SER 41 6.608 4.120 2.677 320 HA SER 41 HA SER 41 8.085 2.052 1.598 321 HB2 SER 41 2HB SER 41 8.770 3.449 3.484 322 HB3 SER 41 3HB SER 41 7.567 2.635 4.518 323 HG SER 41 HG SER 41 9.817 1.789 4.480 324 H ILE 42 H ILE 42 7.909 -0.088 1.472 325 HA ILE 42 HA ILE 42 5.572 -1.572 2.114 326 HB ILE 42 HB ILE 42 7.182 -2.411 0.545 327 HG12 ILE 42 2HG1 ILE 42 7.251 -4.364 2.847 328 HG13 ILE 42 3HG1 ILE 42 5.753 -3.955 1.996 329 HG21 ILE 42 1HG2 ILE 42 9.108 -2.783 2.900 330 HG22 ILE 42 2HG2 ILE 42 9.413 -3.242 1.215 331 HG23 ILE 42 3HG2 ILE 42 9.286 -1.544 1.652 332 HD11 ILE 42 3HD1 ILE 42 6.839 -5.991 1.074 333 HD12 ILE 42 1HD1 ILE 42 6.684 -4.699 -0.135 334 HD13 ILE 42 2HD1 ILE 42 8.255 -5.039 0.626 335 H ASP 43 H ASP 43 8.048 -0.249 4.255 336 HA ASP 43 HA ASP 43 7.530 -2.162 6.377 337 HB2 ASP 43 2HB ASP 43 8.837 0.554 6.240 338 HB3 ASP 43 3HB ASP 43 8.321 -0.082 7.798 339 H VAL 44 H VAL 44 6.034 1.001 5.405 340 HA VAL 44 HA VAL 44 4.363 1.142 7.752 341 HB VAL 44 HB VAL 44 4.880 2.659 5.226 342 HG11 VAL 44 1HG1 VAL 44 2.173 2.807 6.569 343 HG12 VAL 44 2HG1 VAL 44 2.845 4.025 5.459 344 HG13 VAL 44 3HG1 VAL 44 2.548 2.387 4.870 345 HG21 VAL 44 3HG2 VAL 44 5.860 3.299 7.382 346 HG22 VAL 44 1HG2 VAL 44 4.729 4.551 6.823 347 HG23 VAL 44 2HG2 VAL 44 4.238 3.437 8.098 348 H ILE 45 H ILE 45 4.015 0.075 4.354 349 HA ILE 45 HA ILE 45 1.217 -0.529 4.632 350 HB ILE 45 HB ILE 45 3.132 -1.721 2.652 351 HG12 ILE 45 2HG1 ILE 45 1.565 0.863 2.143 352 HG13 ILE 45 3HG1 ILE 45 3.189 0.936 2.778 353 HG21 ILE 45 1HG2 ILE 45 0.721 -2.539 2.798 354 HG22 ILE 45 2HG2 ILE 45 0.181 -0.928 2.366 355 HG23 ILE 45 3HG2 ILE 45 1.139 -1.885 1.210 356 HD11 ILE 45 3HD1 ILE 45 3.264 1.205 0.382 357 HD12 ILE 45 1HD1 ILE 45 4.064 -0.312 0.826 358 HD13 ILE 45 2HD1 ILE 45 2.424 -0.332 0.134 359 H ALA 46 H ALA 46 4.193 -2.479 5.077 360 HA ALA 46 HA ALA 46 2.723 -4.930 5.506 361 HB1 ALA 46 1HB ALA 46 5.514 -4.133 6.464 362 HB2 ALA 46 2HB ALA 46 4.833 -5.773 6.469 363 HB3 ALA 46 3HB ALA 46 5.142 -4.950 4.928 364 H SER 47 H SER 47 3.682 -2.148 7.456 365 HA SER 47 HA SER 47 2.823 -3.481 9.948 366 HB2 SER 47 2HB SER 47 4.950 -2.135 9.693 367 HB3 SER 47 3HB SER 47 3.932 -0.684 9.588 368 HG SER 47 HG SER 47 4.656 -1.132 11.713 369 H PHE 48 H PHE 48 1.034 -2.310 7.537 370 HA PHE 48 HA PHE 48 -0.628 -0.376 8.813 371 HB2 PHE 48 2HB PHE 48 -0.347 -1.502 6.296 372 HB3 PHE 48 3HB PHE 48 -1.892 -2.133 6.785 373 HD1 PHE 48 2HD PHE 48 0.132 0.815 5.950 374 HD2 PHE 48 1HD PHE 48 -3.809 -0.583 7.014 375 HE1 PHE 48 2HE PHE 48 -0.872 2.826 4.877 376 HE2 PHE 48 1HE PHE 48 -4.791 1.479 6.030 377 HZ PHE 48 HZ PHE 48 -3.331 3.109 4.899 378 H ASN 49 H ASN 49 -0.199 -3.130 10.261 379 HA ASN 49 HA ASN 49 -1.208 -4.734 11.355 380 HB2 ASN 49 2HB ASN 49 -2.020 -2.693 12.568 381 HB3 ASN 49 3HB ASN 49 -3.560 -2.848 11.702 382 HD21 ASN 49 1HD2 ASN 49 -4.599 -3.249 13.873 383 HD22 ASN 49 2HD2 ASN 49 -4.381 -4.841 14.588 384 H ARG 50 H ARG 50 -4.154 -3.449 9.799 385 HA ARG 50 HA ARG 50 -5.433 -5.901 9.319 386 HB2 ARG 50 2HB ARG 50 -6.257 -3.434 9.145 387 HB3 ARG 50 3HB ARG 50 -5.579 -3.443 7.517 388 HG2 ARG 50 2HG ARG 50 -7.093 -5.485 7.055 389 HG3 ARG 50 3HG ARG 50 -7.830 -5.147 8.638 390 HD2 ARG 50 2HD ARG 50 -7.889 -2.644 7.563 391 HD3 ARG 50 3HD ARG 50 -7.930 -3.583 6.074 392 HE ARG 50 HE ARG 50 -10.021 -4.426 6.595 393 HH11 ARG 50 2HH2 ARG 50 -8.822 -2.437 9.270 394 HH12 ARG 50 1HH2 ARG 50 -10.349 -2.280 10.056 395 HH21 ARG 50 2HH1 ARG 50 -12.091 -4.235 7.657 396 HH22 ARG 50 1HH1 ARG 50 -12.240 -3.339 9.122 397 H MET 51 H MET 51 -3.072 -4.156 7.323 398 HA MET 51 HA MET 51 -3.220 -5.959 5.067 399 HB2 MET 51 2HB MET 51 -2.175 -3.610 5.055 400 HB3 MET 51 3HB MET 51 -0.832 -4.304 5.961 401 HG2 MET 51 2HG MET 51 0.083 -4.890 4.009 402 HG3 MET 51 3HG MET 51 -1.202 -6.069 3.772 403 HE1 MET 51 3HE MET 51 -3.686 -4.902 3.287 404 HE2 MET 51 1HE MET 51 -3.858 -3.793 1.907 405 HE3 MET 51 2HE MET 51 -3.347 -5.468 1.648 406 H LYS 52 H LYS 52 -1.137 -5.805 8.027 407 HA LYS 52 HA LYS 52 0.632 -7.850 7.261 408 HB2 LYS 52 2HB LYS 52 0.601 -6.055 9.251 409 HB3 LYS 52 3HB LYS 52 -0.119 -7.372 10.157 410 HG2 LYS 52 2HG LYS 52 2.432 -7.759 8.533 411 HG3 LYS 52 3HG LYS 52 2.487 -7.069 10.157 412 HD2 LYS 52 2HD LYS 52 1.611 -9.033 11.166 413 HD3 LYS 52 3HD LYS 52 1.102 -9.701 9.616 414 HE2 LYS 52 2HE LYS 52 3.544 -9.713 8.904 415 HE3 LYS 52 3HE LYS 52 3.955 -9.344 10.587 416 HZ1 LYS 52 3HZ LYS 52 4.049 -11.689 10.218 417 HZ2 LYS 52 1HZ LYS 52 2.728 -11.415 11.166 418 HZ3 LYS 52 2HZ LYS 52 2.564 -11.740 9.554 419 H THR 53 H THR 53 -2.560 -7.894 8.930 420 HA THR 53 HA THR 53 -2.471 -10.721 9.383 421 HB THR 53 HB THR 53 -4.965 -10.276 9.839 422 HG1 THR 53 1HG THR 53 -5.130 -8.339 8.529 423 HG21 THR 53 1HG2 THR 53 -3.138 -10.217 11.538 424 HG22 THR 53 2HG2 THR 53 -2.826 -8.516 11.135 425 HG23 THR 53 3HG2 THR 53 -4.372 -8.979 11.875 426 H ILE 54 H ILE 54 -3.985 -8.696 6.799 427 HA ILE 54 HA ILE 54 -5.334 -10.895 5.565 428 HB ILE 54 HB ILE 54 -4.548 -8.102 4.746 429 HG12 ILE 54 2HG1 ILE 54 -6.472 -8.626 6.320 430 HG13 ILE 54 3HG1 ILE 54 -6.791 -7.561 4.947 431 HG21 ILE 54 1HG2 ILE 54 -5.789 -10.124 2.875 432 HG22 ILE 54 2HG2 ILE 54 -5.893 -8.357 2.655 433 HG23 ILE 54 3HG2 ILE 54 -4.317 -9.158 2.651 434 HD11 ILE 54 3HD1 ILE 54 -7.375 -10.541 4.931 435 HD12 ILE 54 1HD1 ILE 54 -8.568 -9.280 5.320 436 HD13 ILE 54 2HD1 ILE 54 -7.838 -9.340 3.706 437 H SER 55 H SER 55 -2.058 -9.681 5.301 438 HA SER 55 HA SER 55 -1.502 -11.476 2.983 439 HB2 SER 55 2HB SER 55 0.500 -9.775 4.529 440 HB3 SER 55 3HB SER 55 0.651 -10.425 2.884 441 HG SER 55 HG SER 55 -1.105 -8.395 3.810 442 H THR 56 H THR 56 -0.953 -11.177 6.416 443 HA THR 56 HA THR 56 0.001 -12.405 7.982 444 HB THR 56 HB THR 56 -0.483 -14.569 5.947 445 HG1 THR 56 1HG THR 56 -2.177 -13.403 7.120 446 HG21 THR 56 1HG2 THR 56 -0.168 -16.166 7.859 447 HG22 THR 56 2HG2 THR 56 1.359 -15.420 7.353 448 HG23 THR 56 3HG2 THR 56 0.529 -14.847 8.823 449 H ASP 57 H ASP 57 1.677 -12.477 4.787 450 HA ASP 57 HA ASP 57 4.280 -12.727 6.078 451 HB2 ASP 57 2HB ASP 57 3.360 -14.870 5.170 452 HB3 ASP 57 3HB ASP 57 3.100 -14.078 3.610 453 H LEU 58 H LEU 58 5.788 -11.660 4.991 454 HA LEU 58 HA LEU 58 5.232 -9.167 3.600 455 HB2 LEU 58 2HB LEU 58 7.786 -10.709 4.197 456 HB3 LEU 58 3HB LEU 58 7.780 -9.123 3.431 457 HG LEU 58 HG LEU 58 6.301 -9.404 6.047 458 HD11 LEU 58 1HD1 LEU 58 8.379 -9.013 7.312 459 HD12 LEU 58 2HD1 LEU 58 8.401 -10.585 6.494 460 HD13 LEU 58 3HD1 LEU 58 9.331 -9.224 5.824 461 HD21 LEU 58 3HD2 LEU 58 7.089 -7.108 6.349 462 HD22 LEU 58 1HD2 LEU 58 8.097 -7.223 4.895 463 HD23 LEU 58 2HD2 LEU 58 6.326 -7.265 4.754 464 H GLN 59 H GLN 59 5.793 -12.408 2.660 465 HA GLN 59 HA GLN 59 6.738 -12.103 -0.022 466 HB2 GLN 59 2HB GLN 59 6.734 -14.210 1.372 467 HB3 GLN 59 3HB GLN 59 4.975 -14.240 1.247 468 HG2 GLN 59 2HG GLN 59 5.821 -15.780 -0.371 469 HG3 GLN 59 3HG GLN 59 5.200 -14.394 -1.268 470 HE21 GLN 59 1HE2 GLN 59 6.574 -13.837 -2.984 471 HE22 GLN 59 2HE2 GLN 59 8.320 -14.051 -2.901 472 H LEU 60 H LEU 60 3.459 -12.406 1.477 473 HA LEU 60 HA LEU 60 2.112 -12.083 -1.092 474 HB2 LEU 60 2HB LEU 60 1.401 -12.698 1.748 475 HB3 LEU 60 3HB LEU 60 0.234 -11.720 0.882 476 HG LEU 60 HG LEU 60 0.099 -13.375 -0.936 477 HD11 LEU 60 1HD1 LEU 60 1.188 -15.609 -0.649 478 HD12 LEU 60 2HD1 LEU 60 2.372 -14.317 -0.877 479 HD13 LEU 60 3HD1 LEU 60 2.080 -14.974 0.748 480 HD21 LEU 60 3HD2 LEU 60 -0.214 -14.626 1.828 481 HD22 LEU 60 1HD2 LEU 60 -1.412 -13.611 1.014 482 HD23 LEU 60 2HD2 LEU 60 -0.994 -15.193 0.335 483 H ILE 61 H ILE 61 3.134 -9.978 1.584 484 HA ILE 61 HA ILE 61 1.499 -7.780 0.632 485 HB ILE 61 HB ILE 61 2.992 -8.227 2.892 486 HG12 ILE 61 2HG1 ILE 61 0.983 -6.776 2.508 487 HG13 ILE 61 3HG1 ILE 61 2.157 -6.164 3.666 488 HG21 ILE 61 1HG2 ILE 61 5.164 -7.563 1.953 489 HG22 ILE 61 2HG2 ILE 61 4.504 -6.009 1.426 490 HG23 ILE 61 3HG2 ILE 61 4.613 -6.393 3.146 491 HD11 ILE 61 3HD1 ILE 61 2.141 -5.260 0.758 492 HD12 ILE 61 1HD1 ILE 61 1.204 -4.475 2.016 493 HD13 ILE 61 2HD1 ILE 61 2.966 -4.498 2.144 494 H THR 62 H THR 62 4.784 -8.923 -0.065 495 HA THR 62 HA THR 62 5.305 -6.523 -1.651 496 HB THR 62 HB THR 62 7.074 -7.854 -0.371 497 HG1 THR 62 1HG THR 62 7.618 -6.200 -1.729 498 HG21 THR 62 1HG2 THR 62 8.293 -9.558 -1.604 499 HG22 THR 62 2HG2 THR 62 6.637 -10.106 -1.319 500 HG23 THR 62 3HG2 THR 62 7.116 -9.512 -2.928 501 H GLU 63 H GLU 63 4.273 -9.860 -2.285 502 HA GLU 63 HA GLU 63 4.240 -9.680 -5.121 503 HB2 GLU 63 2HB GLU 63 3.884 -11.813 -3.922 504 HB3 GLU 63 3HB GLU 63 2.428 -11.159 -3.153 505 HG2 GLU 63 2HG GLU 63 1.384 -10.930 -5.436 506 HG3 GLU 63 3HG GLU 63 2.812 -11.715 -6.119 507 H ALA 64 H ALA 64 1.869 -8.699 -2.666 508 HA ALA 64 HA ALA 64 -0.237 -8.045 -4.469 509 HB1 ALA 64 1HB ALA 64 0.483 -6.710 -1.822 510 HB2 ALA 64 2HB ALA 64 -1.089 -6.625 -2.647 511 HB3 ALA 64 3HB ALA 64 -0.497 -8.179 -2.015 512 H LEU 65 H LEU 65 2.518 -6.084 -3.297 513 HA LEU 65 HA LEU 65 1.599 -3.668 -4.655 514 HB2 LEU 65 2HB LEU 65 4.189 -4.515 -3.303 515 HB3 LEU 65 3HB LEU 65 4.001 -2.954 -4.091 516 HG LEU 65 HG LEU 65 2.156 -3.900 -1.865 517 HD11 LEU 65 1HD1 LEU 65 4.522 -3.681 -1.101 518 HD12 LEU 65 2HD1 LEU 65 4.554 -2.008 -1.711 519 HD13 LEU 65 3HD1 LEU 65 3.462 -2.465 -0.381 520 HD21 LEU 65 3HD2 LEU 65 1.202 -2.097 -3.303 521 HD22 LEU 65 1HD2 LEU 65 1.618 -1.477 -1.708 522 HD23 LEU 65 2HD2 LEU 65 2.694 -1.151 -3.085 523 H LYS 66 H LYS 66 3.878 -6.282 -5.344 524 HA LYS 66 HA LYS 66 5.042 -5.073 -7.690 525 HB2 LYS 66 2HB LYS 66 5.837 -7.050 -6.189 526 HB3 LYS 66 3HB LYS 66 4.850 -8.061 -7.228 527 HG2 LYS 66 2HG LYS 66 6.717 -6.191 -8.659 528 HG3 LYS 66 3HG LYS 66 7.510 -7.287 -7.544 529 HD2 LYS 66 2HD LYS 66 7.601 -8.673 -9.316 530 HD3 LYS 66 3HD LYS 66 5.984 -9.119 -8.794 531 HE2 LYS 66 2HE LYS 66 5.699 -8.727 -11.084 532 HE3 LYS 66 3HE LYS 66 5.170 -7.201 -10.370 533 HZ1 LYS 66 3HZ LYS 66 7.818 -7.739 -11.553 534 HZ2 LYS 66 1HZ LYS 66 6.630 -6.803 -12.199 535 HZ3 LYS 66 2HZ LYS 66 7.390 -6.325 -10.825 536 H LYS 67 H LYS 67 2.062 -6.800 -7.090 537 HA LYS 67 HA LYS 67 1.403 -6.693 -9.987 538 HB2 LYS 67 2HB LYS 67 1.514 -8.886 -8.592 539 HB3 LYS 67 3HB LYS 67 0.010 -8.349 -7.846 540 HG2 LYS 67 2HG LYS 67 -1.072 -8.290 -10.074 541 HG3 LYS 67 3HG LYS 67 0.468 -8.697 -10.849 542 HD2 LYS 67 2HD LYS 67 -1.025 -10.474 -8.865 543 HD3 LYS 67 3HD LYS 67 -1.047 -10.655 -10.631 544 HE2 LYS 67 2HE LYS 67 1.445 -10.939 -10.599 545 HE3 LYS 67 3HE LYS 67 1.407 -10.883 -8.830 546 HZ1 LYS 67 3HZ LYS 67 0.054 -12.907 -10.495 547 HZ2 LYS 67 1HZ LYS 67 1.434 -13.136 -9.627 548 HZ3 LYS 67 2HZ LYS 67 0.019 -12.852 -8.849 549 H SER 68 H SER 68 1.310 -4.214 -8.468 550 HA SER 68 HA SER 68 -1.204 -3.879 -7.281 551 HB2 SER 68 2HB SER 68 0.865 -1.951 -8.323 552 HB3 SER 68 3HB SER 68 -0.707 -1.392 -7.721 553 HG SER 68 HG SER 68 1.217 -2.841 -6.345 554 H THR 69 H THR 69 -2.692 -2.118 -7.977 555 HA THR 69 HA THR 69 -3.818 -2.786 -10.641 556 HB THR 69 HB THR 69 -5.277 -3.625 -9.043 557 HG1 THR 69 1HG THR 69 -6.448 -2.402 -10.381 558 HG21 THR 69 1HG2 THR 69 -4.295 -1.858 -7.042 559 HG22 THR 69 2HG2 THR 69 -5.913 -1.306 -7.342 560 HG23 THR 69 3HG2 THR 69 -5.671 -2.974 -6.893 561 H ARG 70 H ARG 70 -5.128 -0.153 -8.807 562 HA ARG 70 HA ARG 70 -4.304 1.766 -10.847 563 HB2 ARG 70 2HB ARG 70 -6.268 1.599 -8.609 564 HB3 ARG 70 3HB ARG 70 -5.562 3.199 -8.794 565 HG2 ARG 70 2HG ARG 70 -7.571 3.035 -10.149 566 HG3 ARG 70 3HG ARG 70 -6.137 3.259 -11.158 567 HD2 ARG 70 2HD ARG 70 -6.160 0.667 -11.447 568 HD3 ARG 70 3HD ARG 70 -7.787 0.741 -10.750 569 HE ARG 70 HE ARG 70 -7.583 2.651 -12.835 570 HH11 ARG 70 2HH2 ARG 70 -7.484 -0.916 -12.511 571 HH12 ARG 70 1HH2 ARG 70 -8.483 -1.232 -13.822 572 HH21 ARG 70 2HH1 ARG 70 -8.611 2.197 -14.899 573 HH22 ARG 70 1HH1 ARG 70 -8.953 0.545 -15.315 574 H LEU 71 H LEU 71 -2.174 0.467 -8.903 575 HA LEU 71 HA LEU 71 -0.831 2.987 -8.531 576 HB2 LEU 71 2HB LEU 71 0.064 1.481 -6.414 577 HB3 LEU 71 3HB LEU 71 -0.985 2.873 -6.326 578 HG LEU 71 HG LEU 71 -2.005 0.020 -6.269 579 HD11 LEU 71 1HD1 LEU 71 -0.720 0.307 -4.329 580 HD12 LEU 71 2HD1 LEU 71 -1.052 2.048 -4.230 581 HD13 LEU 71 3HD1 LEU 71 -2.303 0.898 -3.785 582 HD21 LEU 71 3HD2 LEU 71 -3.915 1.534 -5.072 583 HD22 LEU 71 1HD2 LEU 71 -3.284 2.743 -6.207 584 HD23 LEU 71 2HD2 LEU 71 -3.939 1.199 -6.789 585 H GLN 72 H GLN 72 1.521 2.531 -8.308 586 HA GLN 72 HA GLN 72 2.354 -0.034 -9.560 587 HB2 GLN 72 2HB GLN 72 2.932 2.789 -10.536 588 HB3 GLN 72 3HB GLN 72 3.986 1.417 -10.924 589 HG2 GLN 72 2HG GLN 72 2.182 0.235 -12.033 590 HG3 GLN 72 3HG GLN 72 1.001 1.454 -11.526 591 HE21 GLN 72 1HE2 GLN 72 0.385 1.953 -13.715 592 HE22 GLN 72 2HE2 GLN 72 1.493 2.856 -14.741 593 H VAL 73 H VAL 73 3.978 -0.866 -8.419 594 HA VAL 73 HA VAL 73 5.349 0.769 -6.393 595 HB VAL 73 HB VAL 73 4.287 -1.469 -5.874 596 HG11 VAL 73 1HG1 VAL 73 5.580 -3.485 -6.369 597 HG12 VAL 73 2HG1 VAL 73 4.988 -2.734 -7.874 598 HG13 VAL 73 3HG1 VAL 73 6.690 -2.581 -7.389 599 HG21 VAL 73 3HG2 VAL 73 5.876 -0.566 -4.299 600 HG22 VAL 73 1HG2 VAL 73 6.199 -2.283 -4.482 601 HG23 VAL 73 2HG2 VAL 73 7.245 -1.100 -5.290 602 H SER 74 H SER 74 7.532 1.089 -6.465 603 HA SER 74 HA SER 74 9.043 0.912 -8.910 604 HB2 SER 74 2HB SER 74 9.595 2.508 -7.090 605 HB3 SER 74 3HB SER 74 9.901 1.144 -5.996 606 HG SER 74 HG SER 74 11.420 2.043 -8.187 607 H GLU 75 H GLU 75 10.846 -0.479 -9.309 608 HA GLU 75 HA GLU 75 10.443 -3.256 -8.823 609 HB2 GLU 75 2HB GLU 75 12.792 -1.581 -9.776 610 HB3 GLU 75 3HB GLU 75 12.822 -3.354 -9.752 611 HG2 GLU 75 2HG GLU 75 11.100 -3.552 -11.361 612 HG3 GLU 75 3HG GLU 75 10.542 -1.895 -11.134 613 H ASP 76 H ASP 76 11.876 -0.723 -6.800 614 HA ASP 76 HA ASP 76 13.564 -2.571 -5.324 615 HB2 ASP 76 2HB ASP 76 13.393 0.169 -5.464 616 HB3 ASP 76 3HB ASP 76 12.558 -0.129 -3.941 617 H GLY 77 H GLY 77 10.169 -1.820 -5.397 618 HA2 GLY 77 2HA GLY 77 8.406 -2.724 -4.204 619 HA3 GLY 77 3HA GLY 77 9.540 -3.676 -3.249 620 H LYS 78 H LYS 78 10.750 -0.591 -2.974 621 HA LYS 78 HA LYS 78 9.502 -0.369 -0.297 622 HB2 LYS 78 2HB LYS 78 11.973 0.880 -1.541 623 HB3 LYS 78 3HB LYS 78 11.265 1.531 -0.068 624 HG2 LYS 78 2HG LYS 78 13.035 0.013 0.528 625 HG3 LYS 78 3HG LYS 78 11.483 -0.656 1.073 626 HD2 LYS 78 2HD LYS 78 11.419 -2.205 -0.781 627 HD3 LYS 78 3HD LYS 78 12.724 -1.318 -1.593 628 HE2 LYS 78 2HE LYS 78 14.174 -2.030 0.430 629 HE3 LYS 78 3HE LYS 78 12.875 -3.204 0.753 630 HZ1 LYS 78 3HZ LYS 78 14.453 -2.900 -1.719 631 HZ2 LYS 78 1HZ LYS 78 14.500 -4.201 -0.711 632 HZ3 LYS 78 2HZ LYS 78 13.161 -3.850 -1.648 633 H MET 79 H MET 79 8.853 1.013 -3.398 634 HA MET 79 HA MET 79 7.250 2.993 -1.903 635 HB2 MET 79 2HB MET 79 9.224 3.661 -4.160 636 HB3 MET 79 3HB MET 79 7.872 4.697 -3.735 637 HG2 MET 79 2HG MET 79 9.505 5.682 -2.498 638 HG3 MET 79 3HG MET 79 8.840 4.584 -1.299 639 HE1 MET 79 3HE MET 79 12.985 4.496 -3.311 640 HE2 MET 79 1HE MET 79 11.536 4.230 -4.305 641 HE3 MET 79 2HE MET 79 11.747 5.765 -3.429 642 H VAL 80 H VAL 80 5.347 3.650 -2.957 643 HA VAL 80 HA VAL 80 4.791 2.499 -5.564 644 HB VAL 80 HB VAL 80 4.052 0.678 -4.196 645 HG11 VAL 80 1HG1 VAL 80 4.118 1.619 -1.978 646 HG12 VAL 80 2HG1 VAL 80 2.801 2.745 -2.376 647 HG13 VAL 80 3HG1 VAL 80 2.482 1.010 -2.254 648 HG21 VAL 80 3HG2 VAL 80 2.393 1.424 -5.888 649 HG22 VAL 80 1HG2 VAL 80 1.673 0.595 -4.508 650 HG23 VAL 80 2HG2 VAL 80 1.560 2.360 -4.622 651 H ARG 81 H ARG 81 3.082 3.551 -6.569 652 HA ARG 81 HA ARG 81 2.272 6.143 -5.279 653 HB2 ARG 81 2HB ARG 81 2.505 7.235 -7.475 654 HB3 ARG 81 3HB ARG 81 4.050 6.652 -6.859 655 HG2 ARG 81 2HG ARG 81 2.695 4.679 -8.638 656 HG3 ARG 81 3HG ARG 81 3.039 6.215 -9.419 657 HD2 ARG 81 2HD ARG 81 5.100 4.602 -7.868 658 HD3 ARG 81 3HD ARG 81 4.853 4.515 -9.627 659 HE ARG 81 HE ARG 81 5.177 7.217 -8.615 660 HH11 ARG 81 2HH2 ARG 81 6.968 4.425 -9.785 661 HH12 ARG 81 1HH2 ARG 81 8.332 5.336 -10.343 662 HH21 ARG 81 2HH1 ARG 81 6.880 8.434 -9.250 663 HH22 ARG 81 1HH1 ARG 81 8.286 7.753 -10.024 664 H ARG 82 H ARG 82 0.147 6.909 -6.004 665 HA ARG 82 HA ARG 82 -1.393 4.918 -7.594 666 HB2 ARG 82 2HB ARG 82 -3.388 5.550 -6.184 667 HB3 ARG 82 3HB ARG 82 -2.206 4.509 -5.412 668 HG2 ARG 82 2HG ARG 82 -1.677 7.367 -4.906 669 HG3 ARG 82 3HG ARG 82 -3.258 6.850 -4.328 670 HD2 ARG 82 2HD ARG 82 -0.674 5.366 -3.721 671 HD3 ARG 82 3HD ARG 82 -1.418 6.538 -2.624 672 HE ARG 82 HE ARG 82 -3.503 5.002 -2.957 673 HH11 ARG 82 2HH2 ARG 82 -0.207 4.112 -2.225 674 HH12 ARG 82 1HH2 ARG 82 -0.579 2.599 -1.460 675 HH21 ARG 82 2HH1 ARG 82 -4.090 2.983 -1.954 676 HH22 ARG 82 1HH1 ARG 82 -2.925 1.982 -1.243 677 H LEU 83 H LEU 83 -3.073 5.850 -8.870 678 HA LEU 83 HA LEU 83 -3.089 8.791 -9.004 679 HB2 LEU 83 2HB LEU 83 -3.219 6.916 -11.413 680 HB3 LEU 83 3HB LEU 83 -3.444 8.661 -11.409 681 HG LEU 83 HG LEU 83 -1.026 8.797 -10.450 682 HD11 LEU 83 1HD1 LEU 83 -1.079 5.941 -11.524 683 HD12 LEU 83 2HD1 LEU 83 0.413 6.900 -11.449 684 HD13 LEU 83 3HD1 LEU 83 -0.442 6.510 -9.967 685 HD21 LEU 83 3HD2 LEU 83 -1.538 7.860 -13.306 686 HD22 LEU 83 1HD2 LEU 83 -1.710 9.527 -12.710 687 HD23 LEU 83 2HD2 LEU 83 -0.113 8.768 -12.746 688 H ASP 84 H ASP 84 -5.148 9.443 -8.595 689 HA ASP 84 HA ASP 84 -7.155 9.037 -7.542 690 HB2 ASP 84 2HB ASP 84 -7.513 9.001 -10.547 691 HB3 ASP 84 3HB ASP 84 -8.806 9.320 -9.377 692 HA PRO 85 HA PRO 85 -7.461 4.449 -8.030 693 HB2 PRO 85 2HB PRO 85 -7.392 3.735 -5.376 694 HB3 PRO 85 3HB PRO 85 -5.916 4.055 -6.343 695 HG2 PRO 85 2HG PRO 85 -7.369 5.958 -4.482 696 HG3 PRO 85 3HG PRO 85 -5.612 5.612 -4.561 697 HD2 PRO 85 2HD PRO 85 -6.720 7.778 -5.796 698 HD3 PRO 85 3HD PRO 85 -5.361 6.882 -6.541 699 H LEU 86 H LEU 86 -9.463 3.547 -8.231 700 HA LEU 86 HA LEU 86 -11.726 5.053 -7.096 701 HB2 LEU 86 2HB LEU 86 -11.064 4.478 -9.667 702 HB3 LEU 86 3HB LEU 86 -11.998 3.030 -9.326 703 HG LEU 86 HG LEU 86 -13.229 5.640 -8.495 704 HD11 LEU 86 1HD1 LEU 86 -13.925 6.190 -10.796 705 HD12 LEU 86 2HD1 LEU 86 -12.167 6.275 -10.611 706 HD13 LEU 86 3HD1 LEU 86 -12.902 4.875 -11.424 707 HD21 LEU 86 3HD2 LEU 86 -14.325 3.289 -10.105 708 HD22 LEU 86 1HD2 LEU 86 -14.430 3.426 -8.342 709 HD23 LEU 86 2HD2 LEU 86 -15.262 4.610 -9.372 710 HA PRO 87 HA PRO 87 -11.974 1.679 -4.404 711 HB2 PRO 87 2HB PRO 87 -14.428 1.987 -3.205 712 HB3 PRO 87 3HB PRO 87 -13.072 3.125 -2.966 713 HG2 PRO 87 2HG PRO 87 -15.404 3.381 -4.885 714 HG3 PRO 87 3HG PRO 87 -14.745 4.620 -3.768 715 HD2 PRO 87 2HD PRO 87 -14.074 4.540 -6.413 716 HD3 PRO 87 3HD PRO 87 -12.894 5.024 -5.167 717 H GLU 88 H GLU 88 -12.261 -0.420 -4.676 718 HA GLU 88 HA GLU 88 -12.994 -2.415 -5.270 719 HB2 GLU 88 2HB GLU 88 -14.934 -1.676 -3.862 720 HB3 GLU 88 3HB GLU 88 -15.831 -1.310 -5.340 721 HG2 GLU 88 2HG GLU 88 -15.994 -3.585 -5.941 722 HG3 GLU 88 3HG GLU 88 -14.581 -4.041 -4.976 723 H ASN 89 H ASN 89 -14.561 -3.571 -7.133 724 HA ASN 89 HA ASN 89 -14.442 -4.140 -9.336 725 HB2 ASN 89 2HB ASN 89 -15.033 -1.185 -9.703 726 HB3 ASN 89 3HB ASN 89 -15.227 -2.438 -10.927 727 HD21 ASN 89 1HD2 ASN 89 -16.920 -0.747 -8.517 728 HD22 ASN 89 2HD2 ASN 89 -18.239 -1.898 -8.348 729 H ILE 90 H ILE 90 -11.878 -3.602 -8.157 730 HA ILE 90 HA ILE 90 -10.540 -1.957 -10.178 731 HB ILE 90 HB ILE 90 -10.524 -1.906 -7.431 732 HG12 ILE 90 2HG1 ILE 90 -8.427 -0.802 -9.303 733 HG13 ILE 90 3HG1 ILE 90 -10.034 -0.127 -9.022 734 HG21 ILE 90 1HG2 ILE 90 -7.870 -3.159 -8.220 735 HG22 ILE 90 2HG2 ILE 90 -8.308 -2.532 -6.630 736 HG23 ILE 90 3HG2 ILE 90 -9.132 -3.947 -7.273 737 HD11 ILE 90 3HD1 ILE 90 -9.460 0.092 -6.578 738 HD12 ILE 90 1HD1 ILE 90 -7.788 -0.313 -6.991 739 HD13 ILE 90 2HD1 ILE 90 -8.534 1.139 -7.671 740 H ASP 91 H ASP 91 -8.791 -2.640 -11.361 741 HA ASP 91 HA ASP 91 -7.767 -5.355 -11.248 742 HB2 ASP 91 2HB ASP 91 -8.481 -5.887 -13.505 743 HB3 ASP 91 3HB ASP 91 -9.882 -5.613 -12.484 Start of MODEL 31 1 H1 MET 1 H1 MET 1 -6.036 -17.454 -9.888 2 H2 MET 1 H2 MET 1 -7.313 -18.533 -10.016 3 H3 MET 1 H3 MET 1 -7.247 -17.447 -8.801 4 HA MET 1 HA MET 1 -6.708 -19.570 -7.979 5 HB2 MET 1 2HB MET 1 -4.455 -19.385 -10.024 6 HB3 MET 1 3HB MET 1 -4.421 -20.490 -8.635 7 HG2 MET 1 2HG MET 1 -6.474 -21.570 -9.372 8 HG3 MET 1 3HG MET 1 -6.574 -20.493 -10.775 9 HE1 MET 1 1HE MET 1 -6.465 -23.859 -10.587 10 HE2 MET 1 2HE MET 1 -6.894 -22.921 -12.040 11 HE3 MET 1 3HE MET 1 -5.604 -24.144 -12.115 12 H SER 2 H SER 2 -3.311 -18.796 -8.050 13 HA SER 2 HA SER 2 -3.326 -17.690 -5.534 14 HB2 SER 2 2HB SER 2 -1.349 -17.160 -7.787 15 HB3 SER 2 3HB SER 2 -1.014 -17.097 -6.040 16 HG SER 2 HG SER 2 -1.285 -19.278 -5.923 17 H GLU 3 H GLU 3 -3.755 -15.960 -8.649 18 HA GLU 3 HA GLU 3 -3.403 -13.359 -7.622 19 HB2 GLU 3 2HB GLU 3 -4.935 -14.504 -9.960 20 HB3 GLU 3 3HB GLU 3 -5.043 -12.769 -9.564 21 HG2 GLU 3 2HG GLU 3 -2.644 -12.526 -9.581 22 HG3 GLU 3 3HG GLU 3 -2.396 -14.251 -9.867 23 H GLU 4 H GLU 4 -6.244 -15.509 -7.218 24 HA GLU 4 HA GLU 4 -8.004 -13.421 -6.289 25 HB2 GLU 4 2HB GLU 4 -7.812 -16.379 -5.563 26 HB3 GLU 4 3HB GLU 4 -9.151 -15.324 -5.112 27 HG2 GLU 4 2HG GLU 4 -9.908 -15.088 -7.340 28 HG3 GLU 4 3HG GLU 4 -8.374 -15.608 -8.035 29 H THR 5 H THR 5 -5.478 -15.424 -4.734 30 HA THR 5 HA THR 5 -6.008 -14.422 -2.086 31 HB THR 5 HB THR 5 -3.310 -15.399 -3.046 32 HG1 THR 5 1HG THR 5 -5.644 -16.948 -2.593 33 HG21 THR 5 1HG2 THR 5 -3.298 -16.485 -0.824 34 HG22 THR 5 2HG2 THR 5 -3.554 -14.736 -0.675 35 HG23 THR 5 3HG2 THR 5 -4.925 -15.852 -0.496 36 H SER 6 H SER 6 -3.428 -13.637 -4.443 37 HA SER 6 HA SER 6 -2.161 -11.631 -2.972 38 HB2 SER 6 2HB SER 6 -1.535 -12.922 -5.150 39 HB3 SER 6 3HB SER 6 -2.381 -11.623 -6.004 40 HG SER 6 HG SER 6 0.058 -11.665 -5.261 41 H THR 7 H THR 7 -4.868 -11.407 -5.248 42 HA THR 7 HA THR 7 -5.092 -8.573 -5.105 43 HB THR 7 HB THR 7 -6.889 -10.718 -6.291 44 HG1 THR 7 1HG THR 7 -4.946 -8.942 -7.403 45 HG21 THR 7 1HG2 THR 7 -6.972 -7.722 -6.727 46 HG22 THR 7 2HG2 THR 7 -7.775 -8.933 -7.754 47 HG23 THR 7 3HG2 THR 7 -8.264 -8.782 -6.065 48 H GLN 8 H GLN 8 -6.557 -11.173 -3.130 49 HA GLN 8 HA GLN 8 -8.533 -9.428 -1.934 50 HB2 GLN 8 2HB GLN 8 -6.940 -11.819 -0.933 51 HB3 GLN 8 3HB GLN 8 -7.850 -10.822 0.173 52 HG2 GLN 8 2HG GLN 8 -9.901 -11.145 -1.250 53 HG3 GLN 8 3HG GLN 8 -9.006 -12.319 -2.213 54 HE21 GLN 8 1HE2 GLN 8 -7.992 -14.187 -0.939 55 HE22 GLN 8 2HE2 GLN 8 -8.898 -14.761 0.464 56 H ILE 9 H ILE 9 -5.056 -9.916 -1.419 57 HA ILE 9 HA ILE 9 -5.061 -8.187 0.904 58 HB ILE 9 HB ILE 9 -2.659 -8.939 -0.812 59 HG12 ILE 9 2HG1 ILE 9 -3.565 -10.516 1.633 60 HG13 ILE 9 3HG1 ILE 9 -4.018 -10.998 0.003 61 HG21 ILE 9 1HG2 ILE 9 -2.389 -7.132 0.915 62 HG22 ILE 9 2HG2 ILE 9 -2.943 -8.280 2.151 63 HG23 ILE 9 3HG2 ILE 9 -1.415 -8.552 1.272 64 HD11 ILE 9 3HD1 ILE 9 -1.183 -10.724 1.041 65 HD12 ILE 9 1HD1 ILE 9 -2.059 -12.214 0.648 66 HD13 ILE 9 2HD1 ILE 9 -1.624 -11.069 -0.644 67 H LEU 10 H LEU 10 -4.306 -7.885 -2.573 68 HA LEU 10 HA LEU 10 -3.193 -5.299 -2.302 69 HB2 LEU 10 2HB LEU 10 -2.928 -6.977 -4.208 70 HB3 LEU 10 3HB LEU 10 -4.484 -6.444 -4.819 71 HG LEU 10 HG LEU 10 -2.312 -5.404 -5.745 72 HD11 LEU 10 1HD1 LEU 10 -4.864 -4.014 -5.103 73 HD12 LEU 10 2HD1 LEU 10 -3.516 -3.056 -5.693 74 HD13 LEU 10 3HD1 LEU 10 -4.131 -4.454 -6.643 75 HD21 LEU 10 3HD2 LEU 10 -1.329 -3.530 -4.685 76 HD22 LEU 10 1HD2 LEU 10 -2.589 -3.449 -3.451 77 HD23 LEU 10 2HD2 LEU 10 -1.390 -4.767 -3.435 78 H LYS 11 H LYS 11 -6.464 -6.381 -3.047 79 HA LYS 11 HA LYS 11 -7.620 -3.736 -3.385 80 HB2 LYS 11 2HB LYS 11 -8.713 -6.454 -2.661 81 HB3 LYS 11 3HB LYS 11 -9.642 -5.046 -2.160 82 HG2 LYS 11 2HG LYS 11 -10.419 -5.775 -4.293 83 HG3 LYS 11 3HG LYS 11 -9.679 -4.165 -4.446 84 HD2 LYS 11 2HD LYS 11 -7.608 -5.233 -5.335 85 HD3 LYS 11 3HD LYS 11 -8.407 -6.805 -5.194 86 HE2 LYS 11 2HE LYS 11 -9.275 -4.463 -6.915 87 HE3 LYS 11 3HE LYS 11 -8.524 -5.947 -7.520 88 HZ1 LYS 11 3HZ LYS 11 -11.029 -5.688 -7.628 89 HZ2 LYS 11 1HZ LYS 11 -10.507 -7.141 -6.956 90 HZ3 LYS 11 2HZ LYS 11 -11.094 -5.868 -6.075 91 H GLN 12 H GLN 12 -6.892 -5.753 -0.575 92 HA GLN 12 HA GLN 12 -7.961 -3.961 1.349 93 HB2 GLN 12 2HB GLN 12 -6.768 -6.450 1.479 94 HB3 GLN 12 3HB GLN 12 -5.488 -5.445 2.113 95 HG2 GLN 12 2HG GLN 12 -6.759 -6.123 3.991 96 HG3 GLN 12 3HG GLN 12 -7.203 -4.437 3.705 97 HE21 GLN 12 1HE2 GLN 12 -8.488 -7.339 1.864 98 HE22 GLN 12 2HE2 GLN 12 -10.108 -7.071 2.466 99 H VAL 13 H VAL 13 -4.931 -3.781 -0.468 100 HA VAL 13 HA VAL 13 -3.748 -1.819 1.380 101 HB VAL 13 HB VAL 13 -3.056 -2.987 -1.322 102 HG11 VAL 13 1HG1 VAL 13 -1.573 -0.773 0.159 103 HG12 VAL 13 2HG1 VAL 13 -0.870 -1.736 -1.160 104 HG13 VAL 13 3HG1 VAL 13 -2.260 -0.695 -1.479 105 HG21 VAL 13 3HG2 VAL 13 -1.535 -3.022 1.288 106 HG22 VAL 13 1HG2 VAL 13 -2.621 -4.326 0.754 107 HG23 VAL 13 2HG2 VAL 13 -1.157 -3.952 -0.177 108 H GLU 14 H GLU 14 -5.219 -1.859 -1.901 109 HA GLU 14 HA GLU 14 -4.913 0.928 -2.241 110 HB2 GLU 14 2HB GLU 14 -5.849 0.661 -4.301 111 HB3 GLU 14 3HB GLU 14 -5.286 -0.965 -3.985 112 HG2 GLU 14 2HG GLU 14 -7.416 -1.369 -4.807 113 HG3 GLU 14 3HG GLU 14 -7.725 -1.385 -3.086 114 H TYR 15 H TYR 15 -7.406 -0.972 -0.624 115 HA TYR 15 HA TYR 15 -9.472 0.864 -0.584 116 HB2 TYR 15 2HB TYR 15 -10.368 -0.851 0.511 117 HB3 TYR 15 3HB TYR 15 -8.799 -1.570 0.759 118 HD1 TYR 15 HD1 TYR 15 -10.730 1.293 2.307 119 HD2 TYR 15 HD2 TYR 15 -8.371 -2.249 2.915 120 HE1 TYR 15 HE1 TYR 15 -10.836 1.648 4.762 121 HE2 TYR 15 HE2 TYR 15 -8.541 -1.955 5.346 122 HH TYR 15 HH TYR 15 -10.370 0.760 6.820 123 H TYR 16 H TYR 16 -6.635 0.658 1.638 124 HA TYR 16 HA TYR 16 -7.521 2.810 3.275 125 HB2 TYR 16 2HB TYR 16 -4.764 1.660 2.687 126 HB3 TYR 16 3HB TYR 16 -4.976 3.048 3.741 127 HD1 TYR 16 HD1 TYR 16 -7.303 2.508 5.351 128 HD2 TYR 16 HD2 TYR 16 -4.232 -0.198 3.990 129 HE1 TYR 16 HE1 TYR 16 -7.684 1.121 7.295 130 HE2 TYR 16 HE2 TYR 16 -4.479 -1.517 6.060 131 HH TYR 16 HH TYR 16 -5.354 -1.274 8.355 132 H PHE 17 H PHE 17 -5.983 2.882 0.128 133 HA PHE 17 HA PHE 17 -5.654 5.789 0.266 134 HB2 PHE 17 2HB PHE 17 -5.184 3.766 -1.952 135 HB3 PHE 17 3HB PHE 17 -4.942 5.501 -2.133 136 HD1 PHE 17 1HD PHE 17 -3.647 2.420 -0.532 137 HD2 PHE 17 2HD PHE 17 -3.149 6.696 -0.919 138 HE1 PHE 17 1HE PHE 17 -1.461 2.278 0.627 139 HE2 PHE 17 2HE PHE 17 -0.990 6.549 0.248 140 HZ PHE 17 HZ PHE 17 -0.146 4.352 1.054 141 H SER 18 H SER 18 -8.079 3.480 -0.918 142 HA SER 18 HA SER 18 -9.255 5.508 -2.626 143 HB2 SER 18 2HB SER 18 -8.881 3.188 -3.421 144 HB3 SER 18 3HB SER 18 -10.064 2.626 -2.214 145 HG SER 18 HG SER 18 -11.580 4.048 -3.205 146 H ASP 19 H ASP 19 -9.701 4.452 0.567 147 HA ASP 19 HA ASP 19 -12.542 5.186 0.775 148 HB2 ASP 19 2HB ASP 19 -11.489 3.280 1.957 149 HB3 ASP 19 3HB ASP 19 -10.385 4.384 2.785 150 H SER 20 H SER 20 -10.145 7.051 0.006 151 HA SER 20 HA SER 20 -9.025 8.909 0.640 152 HB2 SER 20 2HB SER 20 -11.851 9.591 1.512 153 HB3 SER 20 3HB SER 20 -10.531 10.777 1.375 154 HG SER 20 HG SER 20 -11.890 10.474 -0.548 155 H ASN 21 H ASN 21 -8.912 6.723 2.639 156 HA ASN 21 HA ASN 21 -8.899 8.272 5.132 157 HB2 ASN 21 2HB ASN 21 -9.734 5.811 4.855 158 HB3 ASN 21 3HB ASN 21 -8.015 5.407 5.031 159 HD21 ASN 21 1HD2 ASN 21 -7.359 5.169 7.279 160 HD22 ASN 21 2HD2 ASN 21 -8.075 6.075 8.522 161 H PHE 22 H PHE 22 -6.665 7.697 2.570 162 HA PHE 22 HA PHE 22 -4.224 7.665 3.979 163 HB2 PHE 22 2HB PHE 22 -3.772 7.293 1.811 164 HB3 PHE 22 3HB PHE 22 -5.217 8.101 1.268 165 HD1 PHE 22 2HD PHE 22 -2.022 9.323 2.925 166 HD2 PHE 22 1HD PHE 22 -4.827 9.630 -0.339 167 HE1 PHE 22 2HE PHE 22 -0.857 11.333 2.087 168 HE2 PHE 22 1HE PHE 22 -3.701 11.617 -1.142 169 HZ PHE 22 HZ PHE 22 -1.661 12.506 0.052 170 HA PRO 23 HA PRO 23 -4.194 12.323 3.983 171 HB2 PRO 23 2HB PRO 23 -6.421 13.892 3.561 172 HB3 PRO 23 3HB PRO 23 -5.382 13.275 2.233 173 HG2 PRO 23 2HG PRO 23 -7.952 12.052 3.292 174 HG3 PRO 23 3HG PRO 23 -7.520 12.410 1.586 175 HD2 PRO 23 2HD PRO 23 -7.172 9.941 2.628 176 HD3 PRO 23 3HD PRO 23 -5.989 10.629 1.503 177 H ARG 24 H ARG 24 -6.792 10.504 5.343 178 HA ARG 24 HA ARG 24 -7.319 12.280 7.593 179 HB2 ARG 24 2HB ARG 24 -8.791 10.412 6.328 180 HB3 ARG 24 3HB ARG 24 -8.050 9.344 7.528 181 HG2 ARG 24 2HG ARG 24 -8.879 10.955 9.323 182 HG3 ARG 24 3HG ARG 24 -9.698 11.858 8.025 183 HD2 ARG 24 2HD ARG 24 -10.767 9.571 7.388 184 HD3 ARG 24 3HD ARG 24 -10.195 9.024 8.974 185 HE ARG 24 HE ARG 24 -11.763 11.516 8.899 186 HH11 ARG 24 2HH2 ARG 24 -11.876 8.018 9.296 187 HH12 ARG 24 1HH2 ARG 24 -13.372 7.987 10.164 188 HH21 ARG 24 2HH1 ARG 24 -13.818 11.526 9.965 189 HH22 ARG 24 1HH1 ARG 24 -14.525 10.050 10.513 190 H ASP 25 H ASP 25 -5.730 9.117 7.107 191 HA ASP 25 HA ASP 25 -4.900 8.887 9.850 192 HB2 ASP 25 2HB ASP 25 -4.325 7.370 7.290 193 HB3 ASP 25 3HB ASP 25 -3.537 6.954 8.818 194 H LYS 26 H LYS 26 -3.449 10.373 10.432 195 HA LYS 26 HA LYS 26 -1.289 11.404 8.911 196 HB2 LYS 26 2HB LYS 26 -1.746 11.200 11.895 197 HB3 LYS 26 3HB LYS 26 -0.163 11.673 11.271 198 HG2 LYS 26 2HG LYS 26 -1.291 13.720 11.607 199 HG3 LYS 26 3HG LYS 26 -1.270 13.441 9.870 200 HD2 LYS 26 2HD LYS 26 -3.683 12.342 10.452 201 HD3 LYS 26 3HD LYS 26 -3.583 13.477 11.789 202 HE2 LYS 26 2HE LYS 26 -3.422 15.344 10.274 203 HE3 LYS 26 3HE LYS 26 -3.033 14.283 8.908 204 HZ1 LYS 26 3HZ LYS 26 -5.641 14.356 10.272 205 HZ2 LYS 26 1HZ LYS 26 -5.308 14.976 8.774 206 HZ3 LYS 26 2HZ LYS 26 -5.237 13.359 9.036 207 H PHE 27 H PHE 27 -1.593 8.238 10.309 208 HA PHE 27 HA PHE 27 1.116 7.364 10.198 209 HB2 PHE 27 2HB PHE 27 -0.858 6.158 11.167 210 HB3 PHE 27 3HB PHE 27 -1.476 5.879 9.546 211 HD1 PHE 27 2HD PHE 27 1.683 5.453 11.536 212 HD2 PHE 27 1HD PHE 27 -0.911 3.807 8.504 213 HE1 PHE 27 2HE PHE 27 3.096 3.452 11.420 214 HE2 PHE 27 1HE PHE 27 0.502 1.768 8.414 215 HZ PHE 27 HZ PHE 27 2.491 1.569 9.883 216 H LEU 28 H LEU 28 -1.478 7.186 7.660 217 HA LEU 28 HA LEU 28 0.367 6.166 5.648 218 HB2 LEU 28 2HB LEU 28 -2.336 7.570 5.462 219 HB3 LEU 28 3HB LEU 28 -1.337 7.230 4.056 220 HG LEU 28 HG LEU 28 -1.435 4.768 5.423 221 HD11 LEU 28 1HD1 LEU 28 -3.913 4.347 5.572 222 HD12 LEU 28 2HD1 LEU 28 -3.287 5.445 6.793 223 HD13 LEU 28 3HD1 LEU 28 -4.189 6.071 5.391 224 HD21 LEU 28 3HD2 LEU 28 -1.429 4.536 3.169 225 HD22 LEU 28 1HD2 LEU 28 -3.191 4.422 3.357 226 HD23 LEU 28 2HD2 LEU 28 -2.472 5.928 2.862 227 H ARG 29 H ARG 29 -1.036 9.313 6.320 228 HA ARG 29 HA ARG 29 0.203 10.812 4.388 229 HB2 ARG 29 2HB ARG 29 -1.447 11.311 6.647 230 HB3 ARG 29 3HB ARG 29 -0.054 12.387 6.823 231 HG2 ARG 29 2HG ARG 29 -0.421 13.184 4.490 232 HG3 ARG 29 3HG ARG 29 -1.839 12.117 4.361 233 HD2 ARG 29 2HD ARG 29 -2.999 13.254 6.108 234 HD3 ARG 29 3HD ARG 29 -1.570 14.142 6.617 235 HE ARG 29 HE ARG 29 -3.415 14.840 4.523 236 HH11 ARG 29 2HH2 ARG 29 -0.040 15.111 5.527 237 HH12 ARG 29 1HH2 ARG 29 0.258 16.626 4.758 238 HH21 ARG 29 2HH1 ARG 29 -3.030 16.877 3.415 239 HH22 ARG 29 1HH1 ARG 29 -1.487 17.638 3.514 240 H SER 30 H SER 30 1.718 9.700 7.421 241 HA SER 30 HA SER 30 3.945 11.536 7.281 242 HB2 SER 30 2HB SER 30 3.579 8.770 8.531 243 HB3 SER 30 3HB SER 30 5.103 9.683 8.617 244 HG SER 30 HG SER 30 2.558 10.488 9.554 245 H GLU 31 H GLU 31 3.360 8.239 5.930 246 HA GLU 31 HA GLU 31 6.004 8.152 4.787 247 HB2 GLU 31 2HB GLU 31 3.970 6.298 5.265 248 HB3 GLU 31 3HB GLU 31 3.897 6.476 3.518 249 HG2 GLU 31 2HG GLU 31 5.441 4.687 4.081 250 HG3 GLU 31 3HG GLU 31 6.339 6.034 3.369 251 H ALA 32 H ALA 32 2.735 8.861 3.527 252 HA ALA 32 HA ALA 32 3.404 9.231 0.825 253 HB1 ALA 32 1HB ALA 32 1.287 10.620 2.512 254 HB2 ALA 32 2HB ALA 32 1.259 10.472 0.749 255 HB3 ALA 32 3HB ALA 32 1.108 9.021 1.744 256 H ALA 33 H ALA 33 3.625 11.475 3.585 257 HA ALA 33 HA ALA 33 4.160 13.858 2.142 258 HB1 ALA 33 1HB ALA 33 4.870 13.020 4.985 259 HB2 ALA 33 2HB ALA 33 5.011 14.673 4.349 260 HB3 ALA 33 3HB ALA 33 3.419 13.910 4.453 261 H LYS 34 H LYS 34 6.166 11.123 2.149 262 HA LYS 34 HA LYS 34 8.661 12.684 2.087 263 HB2 LYS 34 2HB LYS 34 7.997 9.905 2.333 264 HB3 LYS 34 3HB LYS 34 8.792 10.075 0.780 265 HG2 LYS 34 2HG LYS 34 10.441 9.560 2.396 266 HG3 LYS 34 3HG LYS 34 10.700 11.252 1.965 267 HD2 LYS 34 2HD LYS 34 8.939 10.607 4.350 268 HD3 LYS 34 3HD LYS 34 10.688 10.365 4.492 269 HE2 LYS 34 2HE LYS 34 11.034 12.736 3.718 270 HE3 LYS 34 3HE LYS 34 9.279 12.979 3.813 271 HZ1 LYS 34 3HZ LYS 34 11.001 12.192 6.067 272 HZ2 LYS 34 1HZ LYS 34 10.376 13.693 5.810 273 HZ3 LYS 34 2HZ LYS 34 9.372 12.429 6.135 274 H ASN 35 H ASN 35 6.157 11.596 -0.195 275 HA ASN 35 HA ASN 35 7.256 13.521 -2.080 276 HB2 ASN 35 2HB ASN 35 8.418 11.139 -2.388 277 HB3 ASN 35 3HB ASN 35 6.907 10.775 -3.231 278 HD21 ASN 35 1HD2 ASN 35 6.283 12.870 -4.782 279 HD22 ASN 35 2HD2 ASN 35 7.676 13.432 -5.713 280 H VAL 36 H VAL 36 5.005 13.997 -0.937 281 HA VAL 36 HA VAL 36 2.846 14.513 -1.252 282 HB VAL 36 HB VAL 36 3.629 13.890 -4.082 283 HG11 VAL 36 1HG1 VAL 36 0.772 14.300 -3.175 284 HG12 VAL 36 2HG1 VAL 36 1.359 14.617 -4.829 285 HG13 VAL 36 3HG1 VAL 36 1.443 12.986 -4.183 286 HG21 VAL 36 3HG2 VAL 36 2.435 16.320 -2.709 287 HG22 VAL 36 1HG2 VAL 36 4.170 16.044 -2.997 288 HG23 VAL 36 2HG2 VAL 36 3.063 16.234 -4.368 289 H ASP 37 H ASP 37 3.008 11.623 -3.273 290 HA ASP 37 HA ASP 37 1.980 9.849 -1.224 291 HB2 ASP 37 2HB ASP 37 -0.065 11.240 -1.964 292 HB3 ASP 37 3HB ASP 37 0.077 10.445 -3.527 293 H ASN 38 H ASN 38 4.200 10.087 -3.132 294 HA ASN 38 HA ASN 38 3.694 7.847 -5.013 295 HB2 ASN 38 2HB ASN 38 5.560 10.236 -5.149 296 HB3 ASN 38 3HB ASN 38 5.731 8.826 -6.190 297 HD21 ASN 38 1HD2 ASN 38 5.220 9.858 -8.190 298 HD22 ASN 38 2HD2 ASN 38 3.599 10.480 -8.461 299 H TYR 39 H TYR 39 5.071 8.367 -2.008 300 HA TYR 39 HA TYR 39 7.124 6.292 -2.430 301 HB2 TYR 39 2HB TYR 39 7.516 9.062 -1.277 302 HB3 TYR 39 3HB TYR 39 8.427 7.705 -0.652 303 HD1 TYR 39 HD1 TYR 39 7.600 8.931 -4.171 304 HD2 TYR 39 HD2 TYR 39 10.624 7.658 -1.375 305 HE1 TYR 39 HE1 TYR 39 9.290 9.244 -5.894 306 HE2 TYR 39 HE2 TYR 39 12.343 7.940 -3.137 307 HH TYR 39 HH TYR 39 11.582 9.229 -6.375 308 H ILE 40 H ILE 40 6.311 4.670 -1.183 309 HA ILE 40 HA ILE 40 5.272 5.301 1.509 310 HB ILE 40 HB ILE 40 3.813 3.580 -0.531 311 HG12 ILE 40 2HG1 ILE 40 2.681 6.124 0.651 312 HG13 ILE 40 3HG1 ILE 40 3.582 6.170 -0.858 313 HG21 ILE 40 1HG2 ILE 40 2.079 3.405 1.242 314 HG22 ILE 40 2HG2 ILE 40 3.624 2.808 1.838 315 HG23 ILE 40 3HG2 ILE 40 3.064 4.423 2.309 316 HD11 ILE 40 3HD1 ILE 40 1.999 5.056 -2.090 317 HD12 ILE 40 1HD1 ILE 40 1.323 4.199 -0.704 318 HD13 ILE 40 2HD1 ILE 40 0.997 5.933 -0.943 319 H SER 41 H SER 41 7.003 4.167 2.619 320 HA SER 41 HA SER 41 8.343 1.950 1.737 321 HB2 SER 41 2HB SER 41 7.646 2.795 4.557 322 HB3 SER 41 3HB SER 41 8.982 1.726 4.075 323 HG SER 41 HG SER 41 9.033 4.308 4.241 324 H ILE 42 H ILE 42 7.906 -0.181 1.628 325 HA ILE 42 HA ILE 42 5.357 -1.239 2.301 326 HB ILE 42 HB ILE 42 6.270 -3.424 1.912 327 HG12 ILE 42 2HG1 ILE 42 8.849 -3.331 1.127 328 HG13 ILE 42 3HG1 ILE 42 8.939 -2.111 2.400 329 HG21 ILE 42 1HG2 ILE 42 5.800 -1.764 0.068 330 HG22 ILE 42 2HG2 ILE 42 7.529 -1.459 -0.029 331 HG23 ILE 42 3HG2 ILE 42 6.902 -3.086 -0.360 332 HD11 ILE 42 3HD1 ILE 42 7.920 -4.978 2.708 333 HD12 ILE 42 1HD1 ILE 42 9.501 -4.369 3.237 334 HD13 ILE 42 2HD1 ILE 42 8.028 -3.790 4.026 335 H ASP 43 H ASP 43 7.852 -0.270 4.437 336 HA ASP 43 HA ASP 43 7.306 -2.134 6.550 337 HB2 ASP 43 2HB ASP 43 8.492 0.656 6.438 338 HB3 ASP 43 3HB ASP 43 8.164 -0.153 7.976 339 H VAL 44 H VAL 44 5.782 0.968 5.522 340 HA VAL 44 HA VAL 44 4.092 1.204 7.831 341 HB VAL 44 HB VAL 44 4.590 2.583 5.261 342 HG11 VAL 44 1HG1 VAL 44 2.320 2.057 4.697 343 HG12 VAL 44 2HG1 VAL 44 1.744 2.578 6.308 344 HG13 VAL 44 3HG1 VAL 44 2.433 3.755 5.166 345 HG21 VAL 44 3HG2 VAL 44 5.261 3.404 7.486 346 HG22 VAL 44 1HG2 VAL 44 4.178 4.539 6.671 347 HG23 VAL 44 2HG2 VAL 44 3.547 3.509 7.962 348 H ILE 45 H ILE 45 3.823 -0.250 4.601 349 HA ILE 45 HA ILE 45 1.054 -0.973 4.945 350 HB ILE 45 HB ILE 45 3.019 -2.319 3.078 351 HG12 ILE 45 2HG1 ILE 45 1.494 0.256 2.421 352 HG13 ILE 45 3HG1 ILE 45 3.201 0.241 2.856 353 HG21 ILE 45 1HG2 ILE 45 0.048 -1.639 2.749 354 HG22 ILE 45 2HG2 ILE 45 1.030 -2.648 1.665 355 HG23 ILE 45 3HG2 ILE 45 0.677 -3.208 3.296 356 HD11 ILE 45 3HD1 ILE 45 3.111 0.293 0.478 357 HD12 ILE 45 1HD1 ILE 45 3.686 -1.300 0.981 358 HD13 ILE 45 2HD1 ILE 45 2.011 -1.097 0.423 359 H ALA 46 H ALA 46 4.119 -2.596 5.592 360 HA ALA 46 HA ALA 46 2.883 -5.087 6.388 361 HB1 ALA 46 1HB ALA 46 5.147 -5.625 7.249 362 HB2 ALA 46 2HB ALA 46 5.221 -4.996 5.589 363 HB3 ALA 46 3HB ALA 46 5.659 -3.950 6.958 364 H SER 47 H SER 47 3.386 -1.974 7.872 365 HA SER 47 HA SER 47 2.896 -3.038 10.586 366 HB2 SER 47 2HB SER 47 4.810 -1.538 10.084 367 HB3 SER 47 3HB SER 47 3.666 -0.262 9.637 368 HG SER 47 HG SER 47 4.391 -0.111 11.805 369 H PHE 48 H PHE 48 1.004 -2.042 7.984 370 HA PHE 48 HA PHE 48 -0.940 -0.427 9.178 371 HB2 PHE 48 2HB PHE 48 -0.695 -2.169 6.822 372 HB3 PHE 48 3HB PHE 48 -2.333 -2.183 7.417 373 HD1 PHE 48 2HD PHE 48 -2.559 0.734 8.341 374 HD2 PHE 48 1HD PHE 48 -1.056 -1.174 4.776 375 HE1 PHE 48 2HE PHE 48 -3.088 2.751 7.032 376 HE2 PHE 48 1HE PHE 48 -1.550 0.876 3.468 377 HZ PHE 48 HZ PHE 48 -2.573 2.809 4.590 378 H ASN 49 H ASN 49 -0.163 -3.516 10.226 379 HA ASN 49 HA ASN 49 -1.088 -5.118 11.444 380 HB2 ASN 49 2HB ASN 49 -1.958 -3.229 12.847 381 HB3 ASN 49 3HB ASN 49 -3.493 -3.332 11.965 382 HD21 ASN 49 1HD2 ASN 49 -4.292 -3.823 14.280 383 HD22 ASN 49 2HD2 ASN 49 -4.181 -5.507 14.770 384 H ARG 50 H ARG 50 -4.050 -3.736 9.975 385 HA ARG 50 HA ARG 50 -5.256 -6.149 9.327 386 HB2 ARG 50 2HB ARG 50 -6.101 -3.675 9.263 387 HB3 ARG 50 3HB ARG 50 -5.551 -3.682 7.586 388 HG2 ARG 50 2HG ARG 50 -7.054 -5.720 7.217 389 HG3 ARG 50 3HG ARG 50 -7.628 -5.490 8.886 390 HD2 ARG 50 2HD ARG 50 -7.919 -2.958 7.974 391 HD3 ARG 50 3HD ARG 50 -8.106 -3.807 6.436 392 HE ARG 50 HE ARG 50 -9.988 -3.532 8.546 393 HH11 ARG 50 2HH2 ARG 50 -9.130 -5.714 5.944 394 HH12 ARG 50 1HH2 ARG 50 -10.461 -6.763 6.119 395 HH21 ARG 50 2HH1 ARG 50 -11.964 -4.758 8.632 396 HH22 ARG 50 1HH1 ARG 50 -12.173 -6.129 7.605 397 H MET 51 H MET 51 -2.813 -4.438 7.356 398 HA MET 51 HA MET 51 -3.194 -6.238 5.083 399 HB2 MET 51 2HB MET 51 -1.380 -3.983 5.729 400 HB3 MET 51 3HB MET 51 -0.580 -5.308 4.890 401 HG2 MET 51 2HG MET 51 -1.273 -4.119 3.126 402 HG3 MET 51 3HG MET 51 -2.617 -5.230 3.255 403 HE1 MET 51 3HE MET 51 -5.552 -3.055 4.328 404 HE2 MET 51 1HE MET 51 -4.866 -4.685 4.079 405 HE3 MET 51 2HE MET 51 -4.573 -3.810 5.591 406 H LYS 52 H LYS 52 -1.003 -6.075 7.906 407 HA LYS 52 HA LYS 52 0.700 -8.225 7.112 408 HB2 LYS 52 2HB LYS 52 1.042 -6.418 8.929 409 HB3 LYS 52 3HB LYS 52 -0.037 -7.357 9.948 410 HG2 LYS 52 2HG LYS 52 2.201 -7.869 10.555 411 HG3 LYS 52 3HG LYS 52 1.537 -9.311 9.778 412 HD2 LYS 52 2HD LYS 52 2.833 -8.952 7.793 413 HD3 LYS 52 3HD LYS 52 3.152 -7.257 8.222 414 HE2 LYS 52 2HE LYS 52 4.360 -8.108 10.293 415 HE3 LYS 52 3HE LYS 52 4.243 -9.739 9.608 416 HZ1 LYS 52 3HZ LYS 52 5.597 -7.415 8.390 417 HZ2 LYS 52 1HZ LYS 52 6.338 -8.710 9.077 418 HZ3 LYS 52 2HZ LYS 52 5.476 -8.903 7.685 419 H THR 53 H THR 53 -2.439 -8.112 8.892 420 HA THR 53 HA THR 53 -2.298 -10.919 9.563 421 HB THR 53 HB THR 53 -4.672 -10.430 10.312 422 HG1 THR 53 1HG THR 53 -5.241 -8.249 10.311 423 HG21 THR 53 1HG2 THR 53 -2.686 -10.174 11.790 424 HG22 THR 53 2HG2 THR 53 -2.483 -8.503 11.231 425 HG23 THR 53 3HG2 THR 53 -3.923 -8.955 12.162 426 H ILE 54 H ILE 54 -4.079 -8.928 7.118 427 HA ILE 54 HA ILE 54 -5.407 -11.224 6.025 428 HB ILE 54 HB ILE 54 -4.822 -8.454 4.980 429 HG12 ILE 54 2HG1 ILE 54 -6.405 -8.618 6.876 430 HG13 ILE 54 3HG1 ILE 54 -7.114 -7.941 5.410 431 HG21 ILE 54 1HG2 ILE 54 -6.356 -10.604 3.522 432 HG22 ILE 54 2HG2 ILE 54 -6.614 -8.863 3.233 433 HG23 ILE 54 3HG2 ILE 54 -5.034 -9.581 2.946 434 HD11 ILE 54 3HD1 ILE 54 -8.661 -9.493 6.423 435 HD12 ILE 54 1HD1 ILE 54 -8.080 -10.173 4.890 436 HD13 ILE 54 2HD1 ILE 54 -7.433 -10.774 6.436 437 H SER 55 H SER 55 -2.220 -9.947 5.445 438 HA SER 55 HA SER 55 -1.821 -11.782 3.139 439 HB2 SER 55 2HB SER 55 0.440 -10.866 3.043 440 HB3 SER 55 3HB SER 55 -0.699 -9.517 3.245 441 HG SER 55 HG SER 55 -0.061 -9.196 5.218 442 H THR 56 H THR 56 -0.888 -11.491 6.485 443 HA THR 56 HA THR 56 0.246 -12.769 7.902 444 HB THR 56 HB THR 56 -0.974 -14.909 6.145 445 HG1 THR 56 1HG THR 56 -2.133 -13.345 7.629 446 HG21 THR 56 1HG2 THR 56 -0.722 -16.425 8.166 447 HG22 THR 56 2HG2 THR 56 0.815 -16.102 7.350 448 HG23 THR 56 3HG2 THR 56 0.406 -15.242 8.858 449 H ASP 57 H ASP 57 1.515 -12.251 4.783 450 HA ASP 57 HA ASP 57 4.077 -13.355 5.591 451 HB2 ASP 57 2HB ASP 57 2.827 -15.258 4.518 452 HB3 ASP 57 3HB ASP 57 2.661 -14.276 3.056 453 H LEU 58 H LEU 58 5.644 -12.182 4.694 454 HA LEU 58 HA LEU 58 5.042 -9.622 3.413 455 HB2 LEU 58 2HB LEU 58 7.628 -11.073 4.105 456 HB3 LEU 58 3HB LEU 58 7.617 -9.534 3.247 457 HG LEU 58 HG LEU 58 6.367 -9.933 6.000 458 HD11 LEU 58 1HD1 LEU 58 8.363 -8.716 6.835 459 HD12 LEU 58 2HD1 LEU 58 8.806 -10.256 6.079 460 HD13 LEU 58 3HD1 LEU 58 9.051 -8.734 5.200 461 HD21 LEU 58 3HD2 LEU 58 6.563 -7.381 6.002 462 HD22 LEU 58 1HD2 LEU 58 6.920 -7.481 4.275 463 HD23 LEU 58 2HD2 LEU 58 5.349 -8.037 4.889 464 H GLN 59 H GLN 59 5.677 -12.805 2.340 465 HA GLN 59 HA GLN 59 6.794 -12.202 -0.235 466 HB2 GLN 59 2HB GLN 59 6.965 -14.400 0.913 467 HB3 GLN 59 3HB GLN 59 5.213 -14.590 0.791 468 HG2 GLN 59 2HG GLN 59 6.370 -15.908 -0.930 469 HG3 GLN 59 3HG GLN 59 5.331 -14.686 -1.657 470 HE21 GLN 59 1HE2 GLN 59 6.378 -12.695 -2.576 471 HE22 GLN 59 2HE2 GLN 59 8.074 -12.833 -3.048 472 H LEU 60 H LEU 60 3.517 -12.892 1.022 473 HA LEU 60 HA LEU 60 2.271 -12.475 -1.592 474 HB2 LEU 60 2HB LEU 60 1.514 -13.541 1.041 475 HB3 LEU 60 3HB LEU 60 0.298 -12.431 0.443 476 HG LEU 60 HG LEU 60 1.452 -14.642 -1.293 477 HD11 LEU 60 1HD1 LEU 60 0.480 -15.698 0.686 478 HD12 LEU 60 2HD1 LEU 60 -1.003 -14.736 0.515 479 HD13 LEU 60 3HD1 LEU 60 -0.581 -15.957 -0.711 480 HD21 LEU 60 3HD2 LEU 60 0.171 -12.722 -2.388 481 HD22 LEU 60 1HD2 LEU 60 -0.533 -14.327 -2.642 482 HD23 LEU 60 2HD2 LEU 60 -1.246 -13.231 -1.447 483 H ILE 61 H ILE 61 3.025 -10.495 1.240 484 HA ILE 61 HA ILE 61 1.267 -8.349 0.410 485 HB ILE 61 HB ILE 61 2.761 -8.889 2.686 486 HG12 ILE 61 2HG1 ILE 61 0.594 -7.763 2.529 487 HG13 ILE 61 3HG1 ILE 61 1.708 -6.954 3.622 488 HG21 ILE 61 1HG2 ILE 61 4.115 -6.888 3.146 489 HG22 ILE 61 2HG2 ILE 61 4.829 -7.879 1.869 490 HG23 ILE 61 3HG2 ILE 61 3.979 -6.379 1.459 491 HD11 ILE 61 3HD1 ILE 61 2.128 -5.186 1.984 492 HD12 ILE 61 1HD1 ILE 61 1.155 -6.041 0.760 493 HD13 ILE 61 2HD1 ILE 61 0.385 -5.387 2.208 494 H THR 62 H THR 62 4.660 -9.249 -0.255 495 HA THR 62 HA THR 62 5.085 -6.722 -1.638 496 HB THR 62 HB THR 62 6.903 -8.012 -0.481 497 HG1 THR 62 1HG THR 62 7.423 -6.335 -1.816 498 HG21 THR 62 1HG2 THR 62 6.945 -9.651 -3.053 499 HG22 THR 62 2HG2 THR 62 8.182 -9.643 -1.779 500 HG23 THR 62 3HG2 THR 62 6.569 -10.259 -1.421 501 H GLU 63 H GLU 63 4.161 -10.058 -2.638 502 HA GLU 63 HA GLU 63 4.162 -9.275 -5.438 503 HB2 GLU 63 2HB GLU 63 4.063 -11.705 -4.769 504 HB3 GLU 63 3HB GLU 63 2.396 -11.430 -4.199 505 HG2 GLU 63 2HG GLU 63 1.874 -10.497 -6.538 506 HG3 GLU 63 3HG GLU 63 3.499 -10.944 -7.030 507 H ALA 64 H ALA 64 1.762 -8.991 -2.805 508 HA ALA 64 HA ALA 64 -0.436 -8.328 -4.415 509 HB1 ALA 64 1HB ALA 64 -1.299 -7.062 -2.488 510 HB2 ALA 64 2HB ALA 64 -0.590 -8.601 -1.974 511 HB3 ALA 64 3HB ALA 64 0.303 -7.077 -1.736 512 H LEU 65 H LEU 65 2.158 -6.159 -3.187 513 HA LEU 65 HA LEU 65 1.241 -3.778 -4.489 514 HB2 LEU 65 2HB LEU 65 3.975 -4.789 -3.614 515 HB3 LEU 65 3HB LEU 65 3.743 -3.207 -4.347 516 HG LEU 65 HG LEU 65 2.348 -4.145 -1.805 517 HD11 LEU 65 1HD1 LEU 65 4.669 -2.220 -2.242 518 HD12 LEU 65 2HD1 LEU 65 3.885 -2.641 -0.696 519 HD13 LEU 65 3HD1 LEU 65 4.790 -3.868 -1.581 520 HD21 LEU 65 3HD2 LEU 65 0.907 -2.489 -2.515 521 HD22 LEU 65 1HD2 LEU 65 2.157 -1.426 -1.821 522 HD23 LEU 65 2HD2 LEU 65 2.103 -1.727 -3.563 523 H LYS 66 H LYS 66 3.334 -6.429 -5.579 524 HA LYS 66 HA LYS 66 4.108 -5.249 -8.079 525 HB2 LYS 66 2HB LYS 66 5.086 -7.245 -6.781 526 HB3 LYS 66 3HB LYS 66 3.852 -8.229 -7.560 527 HG2 LYS 66 2HG LYS 66 5.817 -6.495 -9.122 528 HG3 LYS 66 3HG LYS 66 6.213 -8.115 -8.555 529 HD2 LYS 66 2HD LYS 66 4.114 -8.936 -9.818 530 HD3 LYS 66 3HD LYS 66 4.101 -7.342 -10.585 531 HE2 LYS 66 2HE LYS 66 5.278 -8.745 -12.073 532 HE3 LYS 66 3HE LYS 66 6.481 -7.705 -11.297 533 HZ1 LYS 66 3HZ LYS 66 7.006 -9.551 -9.820 534 HZ2 LYS 66 1HZ LYS 66 5.889 -10.508 -10.557 535 HZ3 LYS 66 2HZ LYS 66 7.208 -9.991 -11.390 536 H LYS 67 H LYS 67 1.184 -6.897 -7.073 537 HA LYS 67 HA LYS 67 0.090 -6.708 -9.855 538 HB2 LYS 67 2HB LYS 67 -0.536 -8.437 -7.434 539 HB3 LYS 67 3HB LYS 67 -1.737 -8.209 -8.712 540 HG2 LYS 67 2HG LYS 67 -0.334 -9.138 -10.390 541 HG3 LYS 67 3HG LYS 67 1.074 -9.194 -9.307 542 HD2 LYS 67 2HD LYS 67 0.073 -10.912 -7.949 543 HD3 LYS 67 3HD LYS 67 -1.516 -10.650 -8.666 544 HE2 LYS 67 2HE LYS 67 -0.534 -12.708 -9.534 545 HE3 LYS 67 3HE LYS 67 -0.766 -11.515 -10.821 546 HZ1 LYS 67 3HZ LYS 67 1.768 -12.178 -9.475 547 HZ2 LYS 67 1HZ LYS 67 1.333 -12.589 -10.999 548 HZ3 LYS 67 2HZ LYS 67 1.586 -11.000 -10.628 549 H SER 68 H SER 68 0.478 -4.250 -8.374 550 HA SER 68 HA SER 68 -1.744 -3.540 -6.885 551 HB2 SER 68 2HB SER 68 -1.147 -1.203 -7.609 552 HB3 SER 68 3HB SER 68 0.109 -2.101 -6.809 553 HG SER 68 HG SER 68 -0.107 -1.294 -9.455 554 H THR 69 H THR 69 -3.501 -2.139 -7.378 555 HA THR 69 HA THR 69 -4.683 -2.629 -10.057 556 HB THR 69 HB THR 69 -5.748 -3.919 -8.309 557 HG1 THR 69 1HG THR 69 -7.896 -2.946 -8.667 558 HG21 THR 69 1HG2 THR 69 -6.835 -3.154 -6.390 559 HG22 THR 69 2HG2 THR 69 -5.418 -2.130 -6.359 560 HG23 THR 69 3HG2 THR 69 -6.945 -1.491 -6.986 561 H ARG 70 H ARG 70 -5.274 -0.305 -7.313 562 HA ARG 70 HA ARG 70 -5.464 1.799 -9.348 563 HB2 ARG 70 2HB ARG 70 -6.932 1.237 -7.119 564 HB3 ARG 70 3HB ARG 70 -5.820 2.445 -6.453 565 HG2 ARG 70 2HG ARG 70 -6.438 3.882 -8.505 566 HG3 ARG 70 3HG ARG 70 -7.699 2.675 -8.834 567 HD2 ARG 70 2HD ARG 70 -8.474 3.096 -6.405 568 HD3 ARG 70 3HD ARG 70 -7.437 4.522 -6.427 569 HE ARG 70 HE ARG 70 -9.989 4.125 -7.668 570 HH11 ARG 70 2HH2 ARG 70 -7.032 6.027 -7.904 571 HH12 ARG 70 1HH2 ARG 70 -7.751 7.339 -8.773 572 HH21 ARG 70 2HH1 ARG 70 -10.927 5.779 -9.066 573 HH22 ARG 70 1HH1 ARG 70 -10.067 7.267 -9.216 574 H LEU 71 H LEU 71 -2.797 0.496 -7.699 575 HA LEU 71 HA LEU 71 -1.522 3.137 -7.491 576 HB2 LEU 71 2HB LEU 71 -0.581 0.832 -5.793 577 HB3 LEU 71 3HB LEU 71 -0.465 2.529 -5.523 578 HG LEU 71 HG LEU 71 -3.031 0.939 -5.188 579 HD11 LEU 71 1HD1 LEU 71 -1.300 0.287 -3.570 580 HD12 LEU 71 2HD1 LEU 71 -1.035 1.993 -3.141 581 HD13 LEU 71 3HD1 LEU 71 -2.587 1.219 -2.779 582 HD21 LEU 71 3HD2 LEU 71 -2.357 3.757 -4.221 583 HD22 LEU 71 1HD2 LEU 71 -3.395 3.407 -5.622 584 HD23 LEU 71 2HD2 LEU 71 -3.888 2.890 -4.011 585 H GLN 72 H GLN 72 1.020 2.563 -7.567 586 HA GLN 72 HA GLN 72 1.580 0.324 -9.420 587 HB2 GLN 72 2HB GLN 72 2.432 3.236 -9.792 588 HB3 GLN 72 3HB GLN 72 3.210 1.859 -10.583 589 HG2 GLN 72 2HG GLN 72 0.990 1.256 -11.607 590 HG3 GLN 72 3HG GLN 72 0.329 2.767 -10.952 591 HE21 GLN 72 1HE2 GLN 72 0.475 4.549 -12.377 592 HE22 GLN 72 2HE2 GLN 72 1.675 4.629 -13.660 593 H VAL 73 H VAL 73 3.447 -0.682 -8.793 594 HA VAL 73 HA VAL 73 4.882 0.414 -6.470 595 HB VAL 73 HB VAL 73 4.034 -1.888 -6.386 596 HG11 VAL 73 1HG1 VAL 73 5.893 -2.377 -8.742 597 HG12 VAL 73 2HG1 VAL 73 5.332 -3.647 -7.662 598 HG13 VAL 73 3HG1 VAL 73 4.148 -2.722 -8.612 599 HG21 VAL 73 3HG2 VAL 73 6.187 -1.181 -5.174 600 HG22 VAL 73 1HG2 VAL 73 5.902 -2.914 -5.398 601 HG23 VAL 73 2HG2 VAL 73 7.038 -2.073 -6.445 602 H SER 74 H SER 74 7.016 0.850 -6.477 603 HA SER 74 HA SER 74 8.310 1.532 -9.006 604 HB2 SER 74 2HB SER 74 8.486 2.758 -6.685 605 HB3 SER 74 3HB SER 74 9.638 1.469 -6.281 606 HG SER 74 HG SER 74 10.839 3.069 -7.199 607 H GLU 75 H GLU 75 10.476 0.587 -9.586 608 HA GLU 75 HA GLU 75 10.467 -2.269 -9.495 609 HB2 GLU 75 2HB GLU 75 12.477 -0.145 -10.259 610 HB3 GLU 75 3HB GLU 75 12.967 -1.850 -10.194 611 HG2 GLU 75 2HG GLU 75 11.307 -2.511 -11.792 612 HG3 GLU 75 3HG GLU 75 10.497 -0.943 -11.720 613 H ASP 76 H ASP 76 11.557 0.100 -7.154 614 HA ASP 76 HA ASP 76 13.424 -1.637 -5.815 615 HB2 ASP 76 2HB ASP 76 12.782 1.054 -5.667 616 HB3 ASP 76 3HB ASP 76 12.046 0.444 -4.191 617 H GLY 77 H GLY 77 9.913 -1.312 -5.797 618 HA2 GLY 77 2HA GLY 77 8.251 -2.192 -4.427 619 HA3 GLY 77 3HA GLY 77 9.377 -3.520 -4.107 620 H LYS 78 H LYS 78 10.431 -0.321 -3.252 621 HA LYS 78 HA LYS 78 9.500 -0.599 -0.414 622 HB2 LYS 78 2HB LYS 78 12.037 0.562 -1.613 623 HB3 LYS 78 3HB LYS 78 11.398 1.155 -0.083 624 HG2 LYS 78 2HG LYS 78 13.022 -0.501 0.439 625 HG3 LYS 78 3HG LYS 78 11.427 -1.143 0.855 626 HD2 LYS 78 2HD LYS 78 11.415 -2.505 -1.185 627 HD3 LYS 78 3HD LYS 78 12.953 -1.801 -1.704 628 HE2 LYS 78 2HE LYS 78 12.884 -3.007 1.028 629 HE3 LYS 78 3HE LYS 78 12.610 -4.140 -0.305 630 HZ1 LYS 78 3HZ LYS 78 14.921 -2.323 -0.108 631 HZ2 LYS 78 1HZ LYS 78 14.946 -3.948 0.207 632 HZ3 LYS 78 2HZ LYS 78 14.637 -3.391 -1.317 633 H MET 79 H MET 79 8.688 0.894 -3.321 634 HA MET 79 HA MET 79 7.121 2.773 -1.755 635 HB2 MET 79 2HB MET 79 9.036 3.643 -4.006 636 HB3 MET 79 3HB MET 79 7.654 4.593 -3.495 637 HG2 MET 79 2HG MET 79 9.247 5.594 -2.221 638 HG3 MET 79 3HG MET 79 8.748 4.351 -1.085 639 HE1 MET 79 3HE MET 79 11.110 5.672 -0.250 640 HE2 MET 79 1HE MET 79 10.776 4.068 0.439 641 HE3 MET 79 2HE MET 79 12.419 4.477 -0.111 642 H VAL 80 H VAL 80 5.187 3.377 -2.776 643 HA VAL 80 HA VAL 80 4.721 2.400 -5.477 644 HB VAL 80 HB VAL 80 2.397 1.829 -4.624 645 HG11 VAL 80 1HG1 VAL 80 3.619 -0.240 -3.182 646 HG12 VAL 80 2HG1 VAL 80 3.275 -0.216 -4.934 647 HG13 VAL 80 3HG1 VAL 80 4.857 0.275 -4.285 648 HG21 VAL 80 3HG2 VAL 80 3.696 1.755 -1.879 649 HG22 VAL 80 1HG2 VAL 80 2.536 2.986 -2.442 650 HG23 VAL 80 2HG2 VAL 80 2.033 1.304 -2.299 651 H ARG 81 H ARG 81 2.759 3.549 -6.311 652 HA ARG 81 HA ARG 81 2.314 6.198 -4.990 653 HB2 ARG 81 2HB ARG 81 2.224 6.073 -8.008 654 HB3 ARG 81 3HB ARG 81 2.421 7.441 -6.940 655 HG2 ARG 81 2HG ARG 81 4.584 7.262 -7.808 656 HG3 ARG 81 3HG ARG 81 4.760 6.216 -6.392 657 HD2 ARG 81 2HD ARG 81 4.175 4.254 -7.908 658 HD3 ARG 81 3HD ARG 81 4.235 5.389 -9.265 659 HE ARG 81 HE ARG 81 6.614 5.423 -7.603 660 HH11 ARG 81 2HH2 ARG 81 5.026 3.718 -10.264 661 HH12 ARG 81 1HH2 ARG 81 6.470 3.059 -10.932 662 HH21 ARG 81 2HH1 ARG 81 8.608 4.510 -8.491 663 HH22 ARG 81 1HH1 ARG 81 8.557 3.622 -9.947 664 H ARG 82 H ARG 82 0.170 6.946 -5.173 665 HA ARG 82 HA ARG 82 -1.819 4.991 -6.072 666 HB2 ARG 82 2HB ARG 82 -3.433 6.814 -5.661 667 HB3 ARG 82 3HB ARG 82 -2.365 6.574 -4.275 668 HG2 ARG 82 2HG ARG 82 -1.099 8.549 -4.752 669 HG3 ARG 82 3HG ARG 82 -1.758 8.701 -6.394 670 HD2 ARG 82 2HD ARG 82 -3.979 9.082 -5.555 671 HD3 ARG 82 3HD ARG 82 -3.458 8.745 -3.903 672 HE ARG 82 HE ARG 82 -2.303 10.704 -3.753 673 HH11 ARG 82 2HH2 ARG 82 -3.960 10.467 -6.891 674 HH12 ARG 82 1HH2 ARG 82 -4.166 12.123 -7.183 675 HH21 ARG 82 2HH1 ARG 82 -2.411 13.047 -4.161 676 HH22 ARG 82 1HH1 ARG 82 -3.174 13.654 -5.597 677 H LEU 83 H LEU 83 -3.628 6.168 -7.542 678 HA LEU 83 HA LEU 83 -2.372 6.917 -10.082 679 HB2 LEU 83 2HB LEU 83 -5.005 5.890 -9.133 680 HB3 LEU 83 3HB LEU 83 -5.174 7.192 -10.291 681 HG LEU 83 HG LEU 83 -3.631 4.607 -10.754 682 HD11 LEU 83 1HD1 LEU 83 -6.244 5.712 -11.892 683 HD12 LEU 83 2HD1 LEU 83 -5.485 4.166 -12.334 684 HD13 LEU 83 3HD1 LEU 83 -6.107 4.409 -10.695 685 HD21 LEU 83 3HD2 LEU 83 -4.126 7.033 -12.545 686 HD22 LEU 83 1HD2 LEU 83 -2.550 6.355 -12.068 687 HD23 LEU 83 2HD2 LEU 83 -3.604 5.449 -13.149 688 H ASP 84 H ASP 84 -2.957 8.897 -11.134 689 HA ASP 84 HA ASP 84 -2.896 11.230 -9.567 690 HB2 ASP 84 2HB ASP 84 -3.100 10.540 -12.436 691 HB3 ASP 84 3HB ASP 84 -3.947 12.033 -12.027 692 HA PRO 85 HA PRO 85 -7.475 12.075 -10.390 693 HB2 PRO 85 2HB PRO 85 -9.166 10.142 -11.377 694 HB3 PRO 85 3HB PRO 85 -8.217 11.245 -12.424 695 HG2 PRO 85 2HG PRO 85 -7.496 8.425 -11.565 696 HG3 PRO 85 3HG PRO 85 -7.484 9.111 -13.224 697 HD2 PRO 85 2HD PRO 85 -5.221 8.970 -11.765 698 HD3 PRO 85 3HD PRO 85 -5.555 10.415 -12.762 699 H LEU 86 H LEU 86 -8.906 11.975 -8.715 700 HA LEU 86 HA LEU 86 -8.097 10.506 -6.487 701 HB2 LEU 86 2HB LEU 86 -10.012 11.480 -5.341 702 HB3 LEU 86 3HB LEU 86 -9.203 12.680 -6.314 703 HG LEU 86 HG LEU 86 -11.529 11.282 -7.621 704 HD11 LEU 86 1HD1 LEU 86 -11.873 13.214 -5.290 705 HD12 LEU 86 2HD1 LEU 86 -13.163 12.659 -6.384 706 HD13 LEU 86 3HD1 LEU 86 -12.354 11.498 -5.326 707 HD21 LEU 86 3HD2 LEU 86 -12.060 13.624 -8.284 708 HD22 LEU 86 1HD2 LEU 86 -10.673 14.202 -7.341 709 HD23 LEU 86 2HD2 LEU 86 -10.432 13.170 -8.770 710 HA PRO 87 HA PRO 87 -10.424 6.764 -6.639 711 HB2 PRO 87 2HB PRO 87 -10.853 6.239 -4.000 712 HB3 PRO 87 3HB PRO 87 -9.275 6.023 -4.836 713 HG2 PRO 87 2HG PRO 87 -10.205 8.313 -3.089 714 HG3 PRO 87 3HG PRO 87 -8.594 7.528 -3.134 715 HD2 PRO 87 2HD PRO 87 -9.089 9.876 -4.384 716 HD3 PRO 87 3HD PRO 87 -7.944 8.671 -5.038 717 H GLU 88 H GLU 88 -12.444 5.931 -6.646 718 HA GLU 88 HA GLU 88 -14.664 7.291 -5.291 719 HB2 GLU 88 2HB GLU 88 -14.463 6.829 -8.304 720 HB3 GLU 88 3HB GLU 88 -15.992 7.078 -7.438 721 HG2 GLU 88 2HG GLU 88 -15.203 9.287 -6.655 722 HG3 GLU 88 3HG GLU 88 -13.676 9.056 -7.525 723 H ASN 89 H ASN 89 -14.253 5.318 -4.000 724 HA ASN 89 HA ASN 89 -14.576 3.143 -3.399 725 HB2 ASN 89 2HB ASN 89 -16.940 3.419 -5.270 726 HB3 ASN 89 3HB ASN 89 -16.775 2.270 -3.943 727 HD21 ASN 89 1HD2 ASN 89 -18.792 4.544 -4.410 728 HD22 ASN 89 2HD2 ASN 89 -18.667 5.471 -2.919 729 H ILE 90 H ILE 90 -12.546 2.846 -5.120 730 HA ILE 90 HA ILE 90 -13.476 0.844 -7.091 731 HB ILE 90 HB ILE 90 -10.818 2.227 -6.580 732 HG12 ILE 90 2HG1 ILE 90 -12.540 3.424 -7.934 733 HG13 ILE 90 3HG1 ILE 90 -11.067 3.079 -8.836 734 HG21 ILE 90 1HG2 ILE 90 -11.261 -0.149 -8.430 735 HG22 ILE 90 2HG2 ILE 90 -9.866 0.954 -8.515 736 HG23 ILE 90 3HG2 ILE 90 -10.130 -0.017 -7.066 737 HD11 ILE 90 3HD1 ILE 90 -13.617 1.449 -9.107 738 HD12 ILE 90 1HD1 ILE 90 -13.081 2.738 -10.191 739 HD13 ILE 90 2HD1 ILE 90 -12.116 1.265 -10.047 740 H ASP 91 H ASP 91 -12.457 -1.359 -6.945 741 HA ASP 91 HA ASP 91 -11.282 -2.247 -4.540 742 HB2 ASP 91 2HB ASP 91 -13.719 -1.776 -3.805 743 HB3 ASP 91 3HB ASP 91 -14.194 -3.099 -4.857
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