![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
654479 |
7jh1 ![]() ![]() |
30777 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 16.013 3.645 14.602 2 H2 ALA 1 2HT ALA 1 17.143 3.870 13.343 3 H3 ALA 1 3HT ALA 1 16.029 2.639 13.252 4 HA ALA 1 HA ALA 1 14.230 4.139 13.039 5 HB1 ALA 1 1HB ALA 1 16.331 6.313 13.160 6 HB2 ALA 1 2HB ALA 1 15.148 5.965 14.415 7 HB3 ALA 1 3HB ALA 1 14.617 6.532 12.835 8 H ARG 2 H ARG 2 13.757 5.293 10.978 9 HA ARG 2 HA ARG 2 13.727 5.384 8.769 10 HB2 ARG 2 2HB ARG 2 16.734 5.206 8.944 11 HB3 ARG 2 1HB ARG 2 15.850 5.535 7.469 12 HG2 ARG 2 2HG ARG 2 14.996 7.605 8.455 13 HG3 ARG 2 1HG ARG 2 15.908 7.267 9.930 14 HD2 ARG 2 2HD ARG 2 17.985 7.258 8.632 15 HD3 ARG 2 1HD ARG 2 17.071 7.621 7.171 16 HE ARG 2 HE ARG 2 16.434 9.593 8.938 17 HH11 ARG 2 1HH1 ARG 2 19.433 8.367 7.489 18 HH12 ARG 2 2HH1 ARG 2 20.241 9.866 7.542 19 HH21 ARG 2 1HH2 ARG 2 17.568 11.687 8.971 20 HH22 ARG 2 2HH2 ARG 2 19.168 11.773 8.380 21 H LYS 3 H LYS 3 12.627 3.550 8.396 22 HA LYS 3 HA LYS 3 14.250 1.344 7.420 23 HB2 LYS 3 2HB LYS 3 12.452 -0.229 8.148 24 HB3 LYS 3 1HB LYS 3 13.235 0.589 9.490 25 HG2 LYS 3 2HG LYS 3 11.327 2.089 9.686 26 HG3 LYS 3 1HG LYS 3 10.557 1.310 8.307 27 HD2 LYS 3 2HD LYS 3 9.594 0.458 10.370 28 HD3 LYS 3 1HD LYS 3 10.513 -0.822 9.583 29 HE2 LYS 3 2HE LYS 3 12.391 -0.403 11.107 30 HE3 LYS 3 1HE LYS 3 11.476 0.897 11.867 31 HZ1 LYS 3 1HZ LYS 3 9.832 -0.761 12.574 32 HZ2 LYS 3 2HZ LYS 3 11.366 -1.072 13.168 33 HZ3 LYS 3 3HZ LYS 3 10.779 -1.999 11.900 34 H SER 4 H SER 4 14.026 1.070 5.310 35 HA SER 4 HA SER 4 11.900 2.442 3.928 36 HB2 SER 4 2HB SER 4 14.163 0.752 2.849 37 HB3 SER 4 1HB SER 4 13.136 1.850 1.928 38 HG SER 4 HG SER 4 15.224 2.651 2.580 39 H CYS 5 H CYS 5 12.182 -0.493 5.376 40 HA CYS 5 HA CYS 5 10.350 -1.771 3.481 41 HB2 CYS 5 2HB CYS 5 12.387 -3.052 5.303 42 HB3 CYS 5 1HB CYS 5 11.234 -3.915 4.291 43 H CYS 6 H CYS 6 8.729 -3.145 4.464 44 HA CYS 6 HA CYS 6 8.083 -2.495 7.231 45 HB2 CYS 6 2HB CYS 6 6.396 -3.320 4.877 46 HB3 CYS 6 1HB CYS 6 5.787 -3.138 6.512 47 H LEU 7 H LEU 7 7.704 -4.236 8.534 48 HA LEU 7 HA LEU 7 7.977 -6.917 7.354 49 HB2 LEU 7 2HB LEU 7 8.771 -5.999 10.134 50 HB3 LEU 7 1HB LEU 7 8.762 -7.665 9.625 51 HG LEU 7 HG LEU 7 10.532 -7.060 7.918 52 HD11 LEU 7 1HD1 LEU 7 11.852 -5.043 8.297 53 HD12 LEU 7 2HD1 LEU 7 10.654 -4.493 9.473 54 HD13 LEU 7 3HD1 LEU 7 10.206 -4.674 7.782 55 HD21 LEU 7 1HD2 LEU 7 11.073 -8.201 9.982 56 HD22 LEU 7 2HD2 LEU 7 11.181 -6.660 10.829 57 HD23 LEU 7 3HD2 LEU 7 12.344 -7.054 9.560 58 H LYS 8 H LYS 8 5.748 -4.902 8.244 59 HA LYS 8 HA LYS 8 4.007 -6.946 9.336 60 HB2 LYS 8 2HB LYS 8 3.017 -5.236 10.752 61 HB3 LYS 8 1HB LYS 8 4.700 -5.531 11.200 62 HG2 LYS 8 2HG LYS 8 5.314 -3.498 9.884 63 HG3 LYS 8 1HG LYS 8 3.604 -3.211 9.607 64 HD2 LYS 8 2HD LYS 8 4.967 -3.292 12.298 65 HD3 LYS 8 1HD LYS 8 4.480 -1.840 11.438 66 HE2 LYS 8 2HE LYS 8 2.130 -2.591 11.552 67 HE3 LYS 8 1HE LYS 8 2.648 -4.003 12.469 68 HZ1 LYS 8 1HZ LYS 8 1.847 -2.251 13.916 69 HZ2 LYS 8 2HZ LYS 8 2.971 -1.183 13.304 70 HZ3 LYS 8 3HZ LYS 8 3.487 -2.534 14.194 71 H TYR 9 H TYR 9 1.757 -6.361 8.897 72 HA TYR 9 HA TYR 9 1.379 -4.398 6.753 73 HB2 TYR 9 2HB TYR 9 -0.432 -6.870 7.043 74 HB3 TYR 9 1HB TYR 9 -0.230 -5.756 5.750 75 HD1 TYR 9 1HD TYR 9 1.439 -5.984 4.126 76 HD2 TYR 9 2HD TYR 9 1.239 -8.680 7.368 77 HE1 TYR 9 1HE TYR 9 2.930 -7.531 2.926 78 HE2 TYR 9 2HE TYR 9 2.725 -10.247 6.182 79 HH TYR 9 HH TYR 9 4.434 -9.318 3.384 80 H THR 10 H THR 10 -0.631 -3.242 7.002 81 HA THR 10 HA THR 10 -1.317 -2.789 9.669 82 HB THR 10 HB THR 10 -1.434 -0.964 8.059 83 HG1 THR 10 1HG THR 10 -4.082 -0.890 8.452 84 HG21 THR 10 1HG2 THR 10 -3.203 -0.858 6.337 85 HG22 THR 10 2HG2 THR 10 -3.701 -2.499 6.761 86 HG23 THR 10 3HG2 THR 10 -2.105 -2.214 6.066 87 H LYS 11 H LYS 11 -2.979 -3.469 10.842 88 HA LYS 11 HA LYS 11 -4.449 -5.758 9.916 89 HB2 LYS 11 2HB LYS 11 -3.557 -5.678 12.210 90 HB3 LYS 11 1HB LYS 11 -4.548 -4.270 12.555 91 HG2 LYS 11 2HG LYS 11 -6.557 -5.610 12.251 92 HG3 LYS 11 1HG LYS 11 -5.568 -7.031 11.903 93 HD2 LYS 11 2HD LYS 11 -4.609 -6.903 14.147 94 HD3 LYS 11 1HD LYS 11 -5.568 -5.462 14.486 95 HE2 LYS 11 2HE LYS 11 -6.646 -8.216 13.866 96 HE3 LYS 11 1HE LYS 11 -6.611 -7.456 15.449 97 HZ1 LYS 11 1HZ LYS 11 -8.789 -7.271 14.418 98 HZ2 LYS 11 2HZ LYS 11 -8.154 -6.486 13.099 99 HZ3 LYS 11 3HZ LYS 11 -8.113 -5.754 14.623 100 H ARG 12 H ARG 12 -4.902 -2.398 10.196 101 HA ARG 12 HA ARG 12 -7.792 -2.612 9.805 102 HB2 ARG 12 2HB ARG 12 -7.124 -1.089 11.553 103 HB3 ARG 12 1HB ARG 12 -6.026 -0.259 10.457 104 HG2 ARG 12 2HG ARG 12 -7.971 0.442 9.100 105 HG3 ARG 12 1HG ARG 12 -9.032 -0.299 10.301 106 HD2 ARG 12 2HD ARG 12 -8.199 1.193 12.004 107 HD3 ARG 12 1HD ARG 12 -7.020 1.856 10.872 108 HE ARG 12 HE ARG 12 -9.750 2.099 10.017 109 HH11 ARG 12 1HH1 ARG 12 -7.119 3.618 11.830 110 HH12 ARG 12 2HH1 ARG 12 -7.726 5.201 11.659 111 HH21 ARG 12 1HH2 ARG 12 -10.597 4.296 9.810 112 HH22 ARG 12 2HH2 ARG 12 -9.750 5.586 10.515 113 HA PRO 13 HA PRO 13 -6.985 -1.847 5.383 114 HB2 PRO 13 2HB PRO 13 -9.952 -1.661 5.489 115 HB3 PRO 13 1HB PRO 13 -8.927 -2.616 4.408 116 HG2 PRO 13 2HG PRO 13 -10.277 -3.802 6.357 117 HG3 PRO 13 1HG PRO 13 -8.615 -4.289 5.979 118 HD2 PRO 13 2HD PRO 13 -9.610 -2.578 8.231 119 HD3 PRO 13 1HD PRO 13 -8.366 -3.856 8.207 120 H LEU 14 H LEU 14 -7.014 0.069 4.247 121 HA LEU 14 HA LEU 14 -7.926 2.490 5.618 122 HB2 LEU 14 2HB LEU 14 -6.238 2.066 3.160 123 HB3 LEU 14 1HB LEU 14 -6.683 3.631 3.785 124 HG LEU 14 HG LEU 14 -4.935 1.628 5.224 125 HD11 LEU 14 1HD1 LEU 14 -3.935 2.482 3.163 126 HD12 LEU 14 2HD1 LEU 14 -3.122 3.160 4.572 127 HD13 LEU 14 3HD1 LEU 14 -4.292 4.129 3.667 128 HD21 LEU 14 1HD2 LEU 14 -6.107 3.158 6.742 129 HD22 LEU 14 2HD2 LEU 14 -5.593 4.522 5.748 130 HD23 LEU 14 3HD2 LEU 14 -4.391 3.590 6.635 131 HA PRO 15 HA PRO 15 -10.938 2.949 2.263 132 HB2 PRO 15 2HB PRO 15 -11.066 5.809 2.617 133 HB3 PRO 15 1HB PRO 15 -12.237 4.613 3.175 134 HG2 PRO 15 2HG PRO 15 -10.645 6.147 4.841 135 HG3 PRO 15 1HG PRO 15 -11.395 4.611 5.297 136 HD2 PRO 15 2HD PRO 15 -8.589 5.178 4.452 137 HD3 PRO 15 1HD PRO 15 -9.205 4.034 5.669 138 H LEU 16 H LEU 16 -10.539 3.311 0.121 139 HA LEU 16 HA LEU 16 -7.964 4.117 -0.689 140 HB2 LEU 16 2HB LEU 16 -9.059 2.477 -1.955 141 HB3 LEU 16 1HB LEU 16 -10.443 3.554 -2.265 142 HG LEU 16 HG LEU 16 -8.904 4.891 -3.649 143 HD11 LEU 16 1HD1 LEU 16 -6.740 3.879 -4.275 144 HD12 LEU 16 2HD1 LEU 16 -6.979 2.645 -3.032 145 HD13 LEU 16 3HD1 LEU 16 -6.806 4.334 -2.576 146 HD21 LEU 16 1HD2 LEU 16 -9.100 1.985 -4.270 147 HD22 LEU 16 2HD2 LEU 16 -8.872 3.326 -5.435 148 HD23 LEU 16 3HD2 LEU 16 -10.351 3.214 -4.452 149 H LYS 17 H LYS 17 -10.937 5.725 -0.498 150 HA LYS 17 HA LYS 17 -10.349 8.013 -1.991 151 HB2 LYS 17 2HB LYS 17 -12.207 7.644 0.350 152 HB3 LYS 17 1HB LYS 17 -12.146 9.097 -0.637 153 HG2 LYS 17 2HG LYS 17 -12.782 7.822 -2.600 154 HG3 LYS 17 1HG LYS 17 -12.788 6.336 -1.656 155 HD2 LYS 17 2HD LYS 17 -14.584 7.211 -0.266 156 HD3 LYS 17 1HD LYS 17 -14.557 8.729 -1.157 157 HE2 LYS 17 2HE LYS 17 -15.164 7.542 -3.203 158 HE3 LYS 17 1HE LYS 17 -15.180 6.016 -2.318 159 HZ1 LYS 17 1HZ LYS 17 -17.392 6.954 -2.605 160 HZ2 LYS 17 2HZ LYS 17 -16.946 8.332 -1.753 161 HZ3 LYS 17 3HZ LYS 17 -16.986 6.832 -0.979 162 H ARG 18 H ARG 18 -8.829 6.940 0.702 163 HA ARG 18 HA ARG 18 -8.042 9.701 1.533 164 HB2 ARG 18 2HB ARG 18 -9.294 8.313 3.283 165 HB3 ARG 18 1HB ARG 18 -7.951 7.200 3.231 166 HG2 ARG 18 2HG ARG 18 -7.808 8.659 5.159 167 HG3 ARG 18 1HG ARG 18 -6.452 8.939 4.062 168 HD2 ARG 18 2HD ARG 18 -7.380 11.044 4.918 169 HD3 ARG 18 1HD ARG 18 -7.574 10.928 3.173 170 HE ARG 18 HE ARG 18 -9.881 9.908 4.282 171 HH11 ARG 18 1HH1 ARG 18 -8.250 13.050 4.282 172 HH12 ARG 18 2HH1 ARG 18 -9.674 13.936 4.466 173 HH21 ARG 18 1HH2 ARG 18 -11.806 11.108 4.532 174 HH22 ARG 18 2HH2 ARG 18 -11.762 12.819 4.628 175 H ILE 19 H ILE 19 -6.975 7.408 -0.375 176 HA ILE 19 HA ILE 19 -4.232 7.396 0.670 177 HB ILE 19 HB ILE 19 -5.443 5.526 -1.396 178 HG12 ILE 19 2HG1 ILE 19 -4.751 4.932 1.467 179 HG13 ILE 19 1HG1 ILE 19 -6.399 5.313 0.946 180 HG21 ILE 19 1HG2 ILE 19 -2.822 5.450 0.142 181 HG22 ILE 19 2HG2 ILE 19 -2.989 5.770 -1.581 182 HG23 ILE 19 3HG2 ILE 19 -3.394 4.184 -0.929 183 HD11 ILE 19 1HD1 ILE 19 -6.371 3.321 -0.496 184 HD12 ILE 19 2HD1 ILE 19 -5.985 2.873 1.165 185 HD13 ILE 19 3HD1 ILE 19 -4.717 3.048 -0.050 186 H LYS 20 H LYS 20 -2.688 8.352 -0.515 187 HA LYS 20 HA LYS 20 -3.520 9.807 -2.857 188 HB2 LYS 20 2HB LYS 20 -0.844 9.829 -1.421 189 HB3 LYS 20 1HB LYS 20 -1.331 10.929 -2.686 190 HG2 LYS 20 2HG LYS 20 -2.514 10.707 0.016 191 HG3 LYS 20 1HG LYS 20 -1.490 12.002 -0.610 192 HD2 LYS 20 2HD LYS 20 -4.234 11.227 -1.505 193 HD3 LYS 20 1HD LYS 20 -3.812 12.650 -0.597 194 HE2 LYS 20 2HE LYS 20 -2.840 12.156 -3.428 195 HE3 LYS 20 1HE LYS 20 -4.123 13.261 -2.961 196 HZ1 LYS 20 1HZ LYS 20 -2.497 14.508 -1.638 197 HZ2 LYS 20 2HZ LYS 20 -2.080 14.466 -3.249 198 HZ3 LYS 20 3HZ LYS 20 -1.253 13.498 -2.164 199 H SER 21 H SER 21 -1.085 7.307 -1.959 200 HA SER 21 HA SER 21 -0.925 6.155 -4.529 201 HB2 SER 21 2HB SER 21 1.388 7.962 -3.715 202 HB3 SER 21 1HB SER 21 1.446 6.796 -5.033 203 HG SER 21 HG SER 21 -0.684 8.511 -5.146 204 H TYR 22 H TYR 22 1.130 4.600 -4.544 205 HA TYR 22 HA TYR 22 1.820 3.792 -1.795 206 HB2 TYR 22 2HB TYR 22 1.450 1.482 -2.285 207 HB3 TYR 22 1HB TYR 22 -0.040 2.353 -2.573 208 HD1 TYR 22 1HD TYR 22 -1.118 2.107 -4.586 209 HD2 TYR 22 2HD TYR 22 2.907 0.867 -4.358 210 HE1 TYR 22 1HE TYR 22 -1.313 1.079 -6.787 211 HE2 TYR 22 2HE TYR 22 2.731 -0.158 -6.590 212 HH TYR 22 HH TYR 22 0.119 0.468 -8.630 213 H THR 23 H THR 23 3.486 2.141 -1.820 214 HA THR 23 HA THR 23 5.429 2.465 -4.004 215 HB THR 23 HB THR 23 5.993 2.177 -1.042 216 HG1 THR 23 1HG THR 23 5.129 4.275 -1.967 217 HG21 THR 23 1HG2 THR 23 7.682 1.187 -2.489 218 HG22 THR 23 2HG2 THR 23 8.324 2.622 -1.678 219 HG23 THR 23 3HG2 THR 23 7.842 2.697 -3.383 220 H ILE 24 H ILE 24 6.346 0.479 -4.683 221 HA ILE 24 HA ILE 24 5.101 -1.889 -3.562 222 HB ILE 24 HB ILE 24 6.887 -1.617 -6.006 223 HG12 ILE 24 2HG1 ILE 24 3.882 -1.937 -5.778 224 HG13 ILE 24 1HG1 ILE 24 4.743 -0.488 -6.286 225 HG21 ILE 24 1HG2 ILE 24 5.276 -3.982 -5.030 226 HG22 ILE 24 2HG2 ILE 24 7.033 -3.852 -5.038 227 HG23 ILE 24 3HG2 ILE 24 6.146 -3.898 -6.564 228 HD11 ILE 24 1HD1 ILE 24 4.712 -3.122 -7.748 229 HD12 ILE 24 2HD1 ILE 24 5.557 -1.663 -8.266 230 HD13 ILE 24 3HD1 ILE 24 3.794 -1.682 -8.189 231 H GLN 25 H GLN 25 6.080 -2.752 -1.875 232 HA GLN 25 HA GLN 25 8.973 -2.718 -1.696 233 HB2 GLN 25 2HB GLN 25 7.975 -2.291 0.381 234 HB3 GLN 25 1HB GLN 25 6.774 -3.548 0.202 235 HG2 GLN 25 2HG GLN 25 8.498 -5.228 0.472 236 HG3 GLN 25 1HG GLN 25 9.707 -3.956 0.636 237 HE21 GLN 25 1HE2 GLN 25 8.704 -6.080 2.466 238 HE22 GLN 25 2HE2 GLN 25 8.314 -5.246 3.924 239 H SER 26 H SER 26 10.148 -4.289 -2.490 240 HA SER 26 HA SER 26 8.819 -6.641 -3.437 241 HB2 SER 26 2HB SER 26 11.035 -7.096 -4.469 242 HB3 SER 26 1HB SER 26 10.367 -5.530 -4.931 243 HG SER 26 HG SER 26 12.475 -5.174 -4.390 244 H ASN 27 H ASN 27 9.171 -8.724 -2.656 245 HA ASN 27 HA ASN 27 10.118 -9.097 -0.032 246 HB2 ASN 27 2HB ASN 27 8.258 -10.254 -1.317 247 HB3 ASN 27 1HB ASN 27 9.502 -11.047 -2.253 248 HD21 ASN 27 1HD2 ASN 27 7.383 -11.980 -0.508 249 HD22 ASN 27 2HD2 ASN 27 8.171 -12.995 0.634 250 H GLU 28 H GLU 28 11.466 -8.811 -3.057 251 HA GLU 28 HA GLU 28 13.731 -10.487 -2.965 252 HB2 GLU 28 2HB GLU 28 12.763 -9.596 -5.000 253 HB3 GLU 28 1HB GLU 28 13.085 -7.961 -4.458 254 HG2 GLU 28 2HG GLU 28 15.459 -8.428 -4.527 255 HG3 GLU 28 1HG GLU 28 15.110 -10.047 -5.142 256 H ALA 29 H ALA 29 13.144 -7.029 -2.230 257 HA ALA 29 HA ALA 29 15.896 -6.752 -1.276 258 HB1 ALA 29 1HB ALA 29 15.500 -4.352 -1.352 259 HB2 ALA 29 2HB ALA 29 13.810 -4.634 -1.763 260 HB3 ALA 29 3HB ALA 29 15.082 -5.108 -2.890 261 H CYS 30 H CYS 30 12.649 -6.814 -0.107 262 HA CYS 30 HA CYS 30 13.623 -6.149 2.585 263 HB2 CYS 30 2HB CYS 30 10.857 -5.939 1.414 264 HB3 CYS 30 1HB CYS 30 11.323 -5.496 3.051 265 H ASN 31 H ASN 31 12.401 -7.377 4.315 266 HA ASN 31 HA ASN 31 12.682 -10.121 3.940 267 HB2 ASN 31 2HB ASN 31 11.078 -8.656 6.040 268 HB3 ASN 31 1HB ASN 31 11.346 -10.391 6.059 269 HD21 ASN 31 1HD2 ASN 31 12.441 -10.333 8.004 270 HD22 ASN 31 2HD2 ASN 31 14.017 -9.658 8.148 271 H ILE 32 H ILE 32 9.799 -8.160 3.691 272 HA ILE 32 HA ILE 32 8.409 -10.502 2.571 273 HB ILE 32 HB ILE 32 6.316 -9.776 3.624 274 HG12 ILE 32 2HG1 ILE 32 7.977 -7.625 4.956 275 HG13 ILE 32 1HG1 ILE 32 6.814 -7.354 3.669 276 HG21 ILE 32 1HG2 ILE 32 8.549 -9.923 5.602 277 HG22 ILE 32 2HG2 ILE 32 7.756 -11.318 4.861 278 HG23 ILE 32 3HG2 ILE 32 6.852 -10.255 5.964 279 HD11 ILE 32 1HD1 ILE 32 6.200 -8.396 6.422 280 HD12 ILE 32 2HD1 ILE 32 5.022 -8.120 5.136 281 HD13 ILE 32 3HD1 ILE 32 5.901 -6.760 5.835 282 H LYS 33 H LYS 33 6.415 -9.697 1.364 283 HA LYS 33 HA LYS 33 7.077 -7.218 -0.017 284 HB2 LYS 33 2HB LYS 33 6.638 -9.176 -1.470 285 HB3 LYS 33 1HB LYS 33 5.057 -9.374 -0.726 286 HG2 LYS 33 2HG LYS 33 4.356 -7.217 -1.630 287 HG3 LYS 33 1HG LYS 33 5.956 -6.990 -2.322 288 HD2 LYS 33 2HD LYS 33 5.635 -8.949 -3.743 289 HD3 LYS 33 1HD LYS 33 4.040 -9.208 -3.034 290 HE2 LYS 33 2HE LYS 33 3.287 -7.058 -3.883 291 HE3 LYS 33 1HE LYS 33 4.887 -6.736 -4.546 292 HZ1 LYS 33 1HZ LYS 33 3.124 -8.978 -5.367 293 HZ2 LYS 33 2HZ LYS 33 4.613 -8.577 -6.057 294 HZ3 LYS 33 3HZ LYS 33 3.307 -7.533 -6.205 295 H ALA 34 H ALA 34 6.090 -5.467 0.793 296 HA ALA 34 HA ALA 34 3.319 -5.665 1.671 297 HB1 ALA 34 1HB ALA 34 4.675 -5.806 3.750 298 HB2 ALA 34 2HB ALA 34 3.780 -4.303 3.681 299 HB3 ALA 34 3HB ALA 34 5.498 -4.314 3.298 300 H ILE 35 H ILE 35 2.269 -4.231 0.421 301 HA ILE 35 HA ILE 35 3.692 -2.159 -0.958 302 HB ILE 35 HB ILE 35 0.699 -2.588 -0.675 303 HG12 ILE 35 2HG1 ILE 35 1.855 -4.468 -1.717 304 HG13 ILE 35 1HG1 ILE 35 0.810 -3.648 -2.877 305 HG21 ILE 35 1HG2 ILE 35 0.495 -1.150 -2.716 306 HG22 ILE 35 2HG2 ILE 35 2.217 -0.846 -2.641 307 HG23 ILE 35 3HG2 ILE 35 1.173 -0.291 -1.343 308 HD11 ILE 35 1HD1 ILE 35 2.842 -4.313 -3.896 309 HD12 ILE 35 2HD1 ILE 35 3.813 -3.494 -2.659 310 HD13 ILE 35 3HD1 ILE 35 2.837 -2.550 -3.791 311 H ILE 36 H ILE 36 3.998 -0.066 -0.359 312 HA ILE 36 HA ILE 36 2.973 0.595 2.279 313 HB ILE 36 HB ILE 36 5.141 2.037 0.712 314 HG12 ILE 36 2HG1 ILE 36 6.618 1.157 2.653 315 HG13 ILE 36 1HG1 ILE 36 5.336 -0.025 2.889 316 HG21 ILE 36 1HG2 ILE 36 4.013 3.538 2.201 317 HG22 ILE 36 2HG2 ILE 36 5.655 3.169 2.764 318 HG23 ILE 36 3HG2 ILE 36 4.268 2.410 3.549 319 HD11 ILE 36 1HD1 ILE 36 5.662 -0.803 0.623 320 HD12 ILE 36 2HD1 ILE 36 7.142 -0.894 1.597 321 HD13 ILE 36 3HD1 ILE 36 6.926 0.418 0.415 322 H PHE 37 H PHE 37 1.238 1.613 2.284 323 HA PHE 37 HA PHE 37 0.284 3.233 0.096 324 HB2 PHE 37 2HB PHE 37 -0.800 2.195 2.678 325 HB3 PHE 37 1HB PHE 37 -1.645 3.458 1.784 326 HD1 PHE 37 1HD PHE 37 0.127 0.439 0.504 327 HD2 PHE 37 2HD PHE 37 -3.492 2.442 1.131 328 HE1 PHE 37 1HE PHE 37 -1.083 -1.297 -0.863 329 HE2 PHE 37 2HE PHE 37 -4.696 0.752 -0.208 330 HZ PHE 37 HZ PHE 37 -3.479 -1.102 -1.191 331 H THR 38 H THR 38 0.076 5.369 0.201 332 HA THR 38 HA THR 38 0.851 6.651 2.710 333 HB THR 38 HB THR 38 1.294 7.726 -0.100 334 HG1 THR 38 1HG THR 38 2.622 5.934 1.333 335 HG21 THR 38 1HG2 THR 38 1.000 9.443 1.585 336 HG22 THR 38 2HG2 THR 38 2.709 9.390 1.112 337 HG23 THR 38 3HG2 THR 38 2.164 8.659 2.631 338 H THR 39 H THR 39 -0.656 8.049 3.527 339 HA THR 39 HA THR 39 -3.158 8.135 2.073 340 HB THR 39 HB THR 39 -4.017 9.172 4.202 341 HG1 THR 39 1HG THR 39 -2.618 8.658 6.037 342 HG21 THR 39 1HG2 THR 39 -4.385 6.818 3.703 343 HG22 THR 39 2HG2 THR 39 -4.053 7.009 5.427 344 HG23 THR 39 3HG2 THR 39 -2.797 6.416 4.344 345 H LYS 40 H LYS 40 -4.409 10.286 2.507 346 HA LYS 40 HA LYS 40 -2.995 12.305 1.173 347 HB2 LYS 40 2HB LYS 40 -5.452 12.647 2.842 348 HB3 LYS 40 1HB LYS 40 -4.948 13.734 1.547 349 HG2 LYS 40 2HG LYS 40 -5.219 11.440 0.094 350 HG3 LYS 40 1HG LYS 40 -6.214 11.061 1.447 351 HD2 LYS 40 2HD LYS 40 -7.675 12.907 1.102 352 HD3 LYS 40 1HD LYS 40 -6.558 13.563 -0.119 353 HE2 LYS 40 2HE LYS 40 -6.940 11.688 -1.554 354 HE3 LYS 40 1HE LYS 40 -7.980 10.931 -0.358 355 HZ1 LYS 40 1HZ LYS 40 -9.538 12.776 -0.616 356 HZ2 LYS 40 2HZ LYS 40 -9.240 12.005 -2.087 357 HZ3 LYS 40 3HZ LYS 40 -8.523 13.485 -1.767 358 H LYS 41 H LYS 41 -3.240 11.525 4.518 359 HA LYS 41 HA LYS 41 -2.184 14.032 5.437 360 HB2 LYS 41 2HB LYS 41 -2.381 11.334 6.788 361 HB3 LYS 41 1HB LYS 41 -1.633 12.708 7.562 362 HG2 LYS 41 2HG LYS 41 -3.831 12.511 8.433 363 HG3 LYS 41 1HG LYS 41 -3.846 13.893 7.355 364 HD2 LYS 41 2HD LYS 41 -4.891 12.521 5.615 365 HD3 LYS 41 1HD LYS 41 -4.850 11.124 6.687 366 HE2 LYS 41 2HE LYS 41 -6.355 13.695 7.208 367 HE3 LYS 41 1HE LYS 41 -7.073 12.178 6.678 368 HZ1 LYS 41 1HZ LYS 41 -5.688 12.651 9.272 369 HZ2 LYS 41 2HZ LYS 41 -6.306 11.177 8.784 370 HZ3 LYS 41 3HZ LYS 41 -7.345 12.474 9.041 371 H GLY 42 H GLY 42 -1.011 11.480 3.733 372 HA2 GLY 42 2HA GLY 42 1.020 11.193 2.808 373 HA3 GLY 42 1HA GLY 42 1.629 12.508 3.777 374 H ARG 43 H ARG 43 0.014 10.095 5.530 375 HA ARG 43 HA ARG 43 2.331 9.310 6.932 376 HB2 ARG 43 2HB ARG 43 0.059 9.593 7.869 377 HB3 ARG 43 1HB ARG 43 -0.460 8.255 6.849 378 HG2 ARG 43 2HG ARG 43 1.004 6.764 7.976 379 HG3 ARG 43 1HG ARG 43 1.614 8.085 8.988 380 HD2 ARG 43 2HD ARG 43 -0.644 8.376 9.933 381 HD3 ARG 43 1HD ARG 43 -1.229 7.042 8.939 382 HE ARG 43 HE ARG 43 0.973 6.248 10.503 383 HH11 ARG 43 1HH1 ARG 43 -2.493 6.963 10.810 384 HH12 ARG 43 2HH1 ARG 43 -2.761 5.900 12.105 385 HH21 ARG 43 1HH2 ARG 43 0.616 4.805 12.334 386 HH22 ARG 43 2HH2 ARG 43 -0.931 4.659 13.013 387 H LYS 44 H LYS 44 3.239 7.200 6.909 388 HA LYS 44 HA LYS 44 2.813 5.688 4.446 389 HB2 LYS 44 2HB LYS 44 4.966 5.474 6.558 390 HB3 LYS 44 1HB LYS 44 4.898 4.497 5.102 391 HG2 LYS 44 2HG LYS 44 5.246 7.492 5.212 392 HG3 LYS 44 1HG LYS 44 6.509 6.311 4.873 393 HD2 LYS 44 2HD LYS 44 5.265 5.585 2.869 394 HD3 LYS 44 1HD LYS 44 4.040 6.806 3.206 395 HE2 LYS 44 2HE LYS 44 5.569 7.581 1.498 396 HE3 LYS 44 1HE LYS 44 5.732 8.562 2.951 397 HZ1 LYS 44 1HZ LYS 44 7.525 6.317 2.214 398 HZ2 LYS 44 2HZ LYS 44 7.756 7.382 3.512 399 HZ3 LYS 44 3HZ LYS 44 7.875 7.927 1.929 400 H ILE 45 H ILE 45 1.714 3.862 4.427 401 HA ILE 45 HA ILE 45 1.194 2.460 6.966 402 HB ILE 45 HB ILE 45 -0.709 2.633 4.596 403 HG12 ILE 45 2HG1 ILE 45 -2.277 3.848 6.250 404 HG13 ILE 45 1HG1 ILE 45 -0.838 4.090 7.248 405 HG21 ILE 45 1HG2 ILE 45 -1.098 1.376 7.294 406 HG22 ILE 45 2HG2 ILE 45 -0.911 0.543 5.754 407 HG23 ILE 45 3HG2 ILE 45 -2.343 1.532 6.055 408 HD11 ILE 45 1HD1 ILE 45 -1.441 6.012 5.961 409 HD12 ILE 45 2HD1 ILE 45 -1.257 5.083 4.467 410 HD13 ILE 45 3HD1 ILE 45 0.148 5.401 5.493 411 H CYS 46 H CYS 46 1.700 0.329 6.894 412 HA CYS 46 HA CYS 46 2.696 -0.778 4.365 413 HB2 CYS 46 2HB CYS 46 2.720 -1.911 7.167 414 HB3 CYS 46 1HB CYS 46 3.641 -2.549 5.817 415 H ALA 47 H ALA 47 1.215 -1.892 3.126 416 HA ALA 47 HA ALA 47 -0.975 -3.151 4.635 417 HB1 ALA 47 1HB ALA 47 -1.075 -2.030 1.838 418 HB2 ALA 47 2HB ALA 47 -1.735 -1.258 3.279 419 HB3 ALA 47 3HB ALA 47 -2.411 -2.784 2.707 420 H ASN 48 H ASN 48 -1.754 -5.167 3.945 421 HA ASN 48 HA ASN 48 0.252 -6.839 2.823 422 HB2 ASN 48 2HB ASN 48 -0.972 -7.751 4.603 423 HB3 ASN 48 1HB ASN 48 -2.524 -7.342 3.931 424 HD21 ASN 48 1HD2 ASN 48 0.214 -8.943 2.323 425 HD22 ASN 48 2HD2 ASN 48 -0.677 -10.410 2.044 426 HA PRO 49 HA PRO 49 -0.835 -6.088 -1.452 427 HB2 PRO 49 2HB PRO 49 0.972 -8.382 -1.835 428 HB3 PRO 49 1HB PRO 49 1.059 -6.759 -2.524 429 HG2 PRO 49 2HG PRO 49 2.668 -7.705 -0.558 430 HG3 PRO 49 1HG PRO 49 2.329 -5.992 -0.762 431 HD2 PRO 49 2HD PRO 49 1.400 -7.874 1.282 432 HD3 PRO 49 1HD PRO 49 1.476 -6.112 1.322 433 H ASN 50 H ASN 50 -1.110 -8.988 0.368 434 HA ASN 50 HA ASN 50 -2.360 -10.500 -1.703 435 HB2 ASN 50 2HB ASN 50 -2.300 -11.079 1.267 436 HB3 ASN 50 1HB ASN 50 -2.871 -12.140 -0.020 437 HD21 ASN 50 1HD2 ASN 50 -0.732 -11.551 -1.885 438 HD22 ASN 50 2HD2 ASN 50 0.685 -12.272 -1.227 439 H GLU 51 H GLU 51 -3.426 -8.017 0.369 440 HA GLU 51 HA GLU 51 -6.026 -9.057 0.906 441 HB2 GLU 51 2HB GLU 51 -5.053 -6.227 1.240 442 HB3 GLU 51 1HB GLU 51 -6.519 -6.918 1.912 443 HG2 GLU 51 2HG GLU 51 -4.862 -8.584 3.139 444 HG3 GLU 51 1HG GLU 51 -3.722 -7.440 2.523 445 H LYS 52 H LYS 52 -7.851 -8.727 -0.051 446 HA LYS 52 HA LYS 52 -7.923 -8.178 -2.770 447 HB2 LYS 52 2HB LYS 52 -9.522 -9.620 -1.606 448 HB3 LYS 52 1HB LYS 52 -10.191 -8.230 -0.782 449 HG2 LYS 52 2HG LYS 52 -10.995 -7.342 -2.889 450 HG3 LYS 52 1HG LYS 52 -10.254 -8.693 -3.750 451 HD2 LYS 52 2HD LYS 52 -11.662 -10.257 -2.488 452 HD3 LYS 52 1HD LYS 52 -12.426 -8.895 -1.670 453 HE2 LYS 52 2HE LYS 52 -13.266 -8.067 -3.782 454 HE3 LYS 52 1HE LYS 52 -12.437 -9.369 -4.639 455 HZ1 LYS 52 1HZ LYS 52 -14.630 -9.735 -2.660 456 HZ2 LYS 52 2HZ LYS 52 -13.801 -10.956 -3.496 457 HZ3 LYS 52 3HZ LYS 52 -14.755 -9.892 -4.348 458 H TRP 53 H TRP 53 -8.576 -6.038 -0.026 459 HA TRP 53 HA TRP 53 -9.658 -3.955 -1.622 460 HB2 TRP 53 2HB TRP 53 -9.486 -2.490 0.320 461 HB3 TRP 53 1HB TRP 53 -10.051 -4.060 0.851 462 HD1 TRP 53 HD TRP 53 -8.187 -5.557 2.328 463 HE1 TRP 53 1HE TRP 53 -6.312 -4.808 3.795 464 HE3 TRP 53 3HE TRP 53 -7.717 -0.755 0.602 465 HZ2 TRP 53 2HZ TRP 53 -4.747 -2.472 4.219 466 HZ3 TRP 53 3HZ TRP 53 -5.984 0.660 1.605 467 HH2 TRP 53 HH TRP 53 -4.528 -0.181 3.382 468 H VAL 54 H VAL 54 -6.464 -4.902 -0.746 469 HA VAL 54 HA VAL 54 -5.136 -2.531 -1.526 470 HB VAL 54 HB VAL 54 -4.087 -5.361 -1.132 471 HG11 VAL 54 1HG1 VAL 54 -2.516 -2.801 -1.505 472 HG12 VAL 54 2HG1 VAL 54 -2.566 -4.156 -2.631 473 HG13 VAL 54 3HG1 VAL 54 -1.848 -4.355 -1.032 474 HG21 VAL 54 1HG2 VAL 54 -3.904 -2.902 0.583 475 HG22 VAL 54 2HG2 VAL 54 -3.246 -4.496 0.975 476 HG23 VAL 54 3HG2 VAL 54 -4.993 -4.255 0.846 477 H GLN 55 H GLN 55 -6.113 -5.458 -3.168 478 HA GLN 55 HA GLN 55 -4.710 -5.140 -5.605 479 HB2 GLN 55 2HB GLN 55 -7.559 -6.136 -5.353 480 HB3 GLN 55 1HB GLN 55 -6.413 -6.519 -6.621 481 HG2 GLN 55 2HG GLN 55 -6.267 -7.393 -3.754 482 HG3 GLN 55 1HG GLN 55 -6.742 -8.397 -5.120 483 HE21 GLN 55 1HE2 GLN 55 -4.685 -8.820 -3.208 484 HE22 GLN 55 2HE2 GLN 55 -3.190 -8.865 -4.035 485 H LYS 56 H LYS 56 -7.881 -4.009 -4.564 486 HA LYS 56 HA LYS 56 -8.597 -2.607 -6.910 487 HB2 LYS 56 2HB LYS 56 -9.453 -2.103 -4.063 488 HB3 LYS 56 1HB LYS 56 -10.236 -1.458 -5.494 489 HG2 LYS 56 2HG LYS 56 -10.847 -3.705 -6.189 490 HG3 LYS 56 1HG LYS 56 -10.024 -4.374 -4.775 491 HD2 LYS 56 2HD LYS 56 -11.522 -3.109 -3.313 492 HD3 LYS 56 1HD LYS 56 -12.336 -2.454 -4.734 493 HE2 LYS 56 2HE LYS 56 -12.195 -5.370 -3.974 494 HE3 LYS 56 1HE LYS 56 -13.563 -4.302 -3.704 495 HZ1 LYS 56 1HZ LYS 56 -12.459 -5.093 -6.346 496 HZ2 LYS 56 2HZ LYS 56 -13.730 -4.008 -6.120 497 HZ3 LYS 56 3HZ LYS 56 -13.908 -5.615 -5.662 498 H ALA 57 H ALA 57 -7.139 -1.572 -3.867 499 HA ALA 57 HA ALA 57 -6.895 1.144 -4.452 500 HB1 ALA 57 1HB ALA 57 -5.229 1.213 -2.674 501 HB2 ALA 57 2HB ALA 57 -5.102 -0.534 -2.672 502 HB3 ALA 57 3HB ALA 57 -6.622 0.255 -2.193 503 H MET 58 H MET 58 -4.511 -1.480 -4.876 504 HA MET 58 HA MET 58 -2.587 0.130 -5.871 505 HB2 MET 58 2HB MET 58 -3.021 -2.794 -6.224 506 HB3 MET 58 1HB MET 58 -1.653 -2.026 -7.000 507 HG2 MET 58 2HG MET 58 -1.098 -1.143 -4.652 508 HG3 MET 58 1HG MET 58 -2.260 -2.331 -4.083 509 HE1 MET 58 1HE MET 58 -0.570 -5.685 -5.277 510 HE2 MET 58 2HE MET 58 -1.777 -4.772 -6.193 511 HE3 MET 58 3HE MET 58 -1.972 -5.011 -4.447 512 H LYS 59 H LYS 59 -5.180 -1.497 -7.674 513 HA LYS 59 HA LYS 59 -4.075 -0.877 -10.176 514 HB2 LYS 59 2HB LYS 59 -5.790 -2.651 -9.721 515 HB3 LYS 59 1HB LYS 59 -6.973 -1.375 -9.487 516 HG2 LYS 59 2HG LYS 59 -6.656 -0.624 -11.764 517 HG3 LYS 59 1HG LYS 59 -5.412 -1.849 -12.002 518 HD2 LYS 59 2HD LYS 59 -7.133 -3.581 -11.479 519 HD3 LYS 59 1HD LYS 59 -8.339 -2.299 -11.476 520 HE2 LYS 59 2HE LYS 59 -8.281 -3.433 -13.643 521 HE3 LYS 59 1HE LYS 59 -7.788 -1.749 -13.789 522 HZ1 LYS 59 1HZ LYS 59 -5.902 -4.048 -13.635 523 HZ2 LYS 59 2HZ LYS 59 -5.479 -2.436 -13.905 524 HZ3 LYS 59 3HZ LYS 59 -6.366 -3.279 -15.044 525 H HIS 60 H HIS 60 -6.223 0.787 -7.968 526 HA HIS 60 HA HIS 60 -7.003 2.812 -9.791 527 HB2 HIS 60 2HB HIS 60 -8.439 2.241 -7.952 528 HB3 HIS 60 1HB HIS 60 -7.165 2.554 -6.791 529 HD1 HIS 60 1HD HIS 60 -9.554 4.372 -9.098 530 HD2 HIS 60 2HD HIS 60 -7.050 5.053 -5.879 531 HE1 HIS 60 1HE HIS 60 -10.051 6.720 -8.368 532 HE2 HIS 60 2HE HIS 60 -8.284 7.210 -6.642 533 H LEU 61 H LEU 61 -4.519 2.534 -7.319 534 HA LEU 61 HA LEU 61 -3.640 5.257 -7.563 535 HB2 LEU 61 2HB LEU 61 -2.344 2.865 -6.280 536 HB3 LEU 61 1HB LEU 61 -1.813 4.522 -6.084 537 HG LEU 61 HG LEU 61 -4.497 3.465 -5.212 538 HD11 LEU 61 1HD1 LEU 61 -2.009 4.017 -3.609 539 HD12 LEU 61 2HD1 LEU 61 -2.826 2.455 -3.846 540 HD13 LEU 61 3HD1 LEU 61 -3.613 3.734 -2.941 541 HD21 LEU 61 1HD2 LEU 61 -3.150 6.120 -4.709 542 HD22 LEU 61 2HD2 LEU 61 -4.664 5.584 -3.988 543 HD23 LEU 61 3HD2 LEU 61 -4.564 5.838 -5.728 544 H ASP 62 H ASP 62 -2.855 2.259 -9.114 545 HA ASP 62 HA ASP 62 -0.316 3.013 -10.207 546 HB2 ASP 62 2HB ASP 62 -1.025 0.652 -9.891 547 HB3 ASP 62 1HB ASP 62 -2.287 0.884 -11.075 548 H LYS 63 H LYS 63 -3.511 3.741 -10.936 549 HA LYS 63 HA LYS 63 -3.343 4.178 -13.732 550 HB2 LYS 63 2HB LYS 63 -5.271 5.171 -11.661 551 HB3 LYS 63 1HB LYS 63 -5.468 5.449 -13.381 552 HG2 LYS 63 2HG LYS 63 -5.624 3.078 -13.768 553 HG3 LYS 63 1HG LYS 63 -5.304 2.761 -12.066 554 HD2 LYS 63 2HD LYS 63 -7.361 3.968 -11.468 555 HD3 LYS 63 1HD LYS 63 -7.678 4.244 -13.176 556 HE2 LYS 63 2HE LYS 63 -7.402 1.535 -11.897 557 HE3 LYS 63 1HE LYS 63 -8.936 2.308 -12.267 558 HZ1 LYS 63 1HZ LYS 63 -6.848 1.540 -14.238 559 HZ2 LYS 63 2HZ LYS 63 -8.252 2.355 -14.626 560 HZ3 LYS 63 3HZ LYS 63 -8.337 0.780 -14.024 561 H LYS 64 H LYS 64 -2.361 6.047 -10.989 562 HA LYS 64 HA LYS 64 -1.962 8.293 -12.789 563 HB2 LYS 64 2HB LYS 64 -3.983 8.662 -11.408 564 HB3 LYS 64 1HB LYS 64 -3.007 8.491 -9.961 565 HG2 LYS 64 2HG LYS 64 -1.747 10.472 -10.557 566 HG3 LYS 64 1HG LYS 64 -2.664 10.614 -12.061 567 HD2 LYS 64 2HD LYS 64 -4.726 10.852 -10.767 568 HD3 LYS 64 1HD LYS 64 -3.798 10.760 -9.270 569 HE2 LYS 64 2HE LYS 64 -2.571 12.773 -9.915 570 HE3 LYS 64 1HE LYS 64 -3.483 12.840 -11.421 571 HZ1 LYS 64 1HZ LYS 64 -4.372 14.345 -9.778 572 HZ2 LYS 64 2HZ LYS 64 -4.614 13.099 -8.693 573 HZ3 LYS 64 3HZ LYS 64 -5.499 13.148 -10.145 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 19.400 6.151 9.717 2 H2 ALA 1 2HT ALA 1 17.989 5.760 8.890 3 H3 ALA 1 3HT ALA 1 19.401 4.857 8.654 4 HA ALA 1 HA ALA 1 19.371 4.068 10.893 5 HB1 ALA 1 1HB ALA 1 18.374 6.064 11.901 6 HB2 ALA 1 2HB ALA 1 17.524 4.599 12.388 7 HB3 ALA 1 3HB ALA 1 16.825 5.657 11.164 8 H ARG 2 H ARG 2 18.040 3.705 8.061 9 HA ARG 2 HA ARG 2 16.974 2.130 6.971 10 HB2 ARG 2 2HB ARG 2 17.256 0.594 9.557 11 HB3 ARG 2 1HB ARG 2 16.487 -0.114 8.157 12 HG2 ARG 2 2HG ARG 2 18.729 -0.884 8.262 13 HG3 ARG 2 1HG ARG 2 18.609 0.224 6.899 14 HD2 ARG 2 2HD ARG 2 20.658 0.598 8.122 15 HD3 ARG 2 1HD ARG 2 19.588 1.992 8.302 16 HE ARG 2 HE ARG 2 18.968 0.609 10.466 17 HH11 ARG 2 1HH1 ARG 2 22.143 1.421 9.142 18 HH12 ARG 2 2HH1 ARG 2 22.922 1.358 10.665 19 HH21 ARG 2 1HH2 ARG 2 20.049 0.574 12.532 20 HH22 ARG 2 2HH2 ARG 2 21.726 0.876 12.591 21 H LYS 3 H LYS 3 15.004 0.355 7.572 22 HA LYS 3 HA LYS 3 12.902 0.060 7.716 23 HB2 LYS 3 2HB LYS 3 12.957 0.912 10.048 24 HB3 LYS 3 1HB LYS 3 12.681 2.538 9.443 25 HG2 LYS 3 2HG LYS 3 10.498 1.885 8.613 26 HG3 LYS 3 1HG LYS 3 10.774 0.224 9.144 27 HD2 LYS 3 2HD LYS 3 10.962 1.018 11.459 28 HD3 LYS 3 1HD LYS 3 10.634 2.663 10.914 29 HE2 LYS 3 2HE LYS 3 8.442 1.964 10.093 30 HE3 LYS 3 1HE LYS 3 8.778 0.310 10.597 31 HZ1 LYS 3 1HZ LYS 3 7.402 1.439 12.194 32 HZ2 LYS 3 2HZ LYS 3 8.556 2.654 12.406 33 HZ3 LYS 3 3HZ LYS 3 8.882 1.067 12.882 34 H SER 4 H SER 4 13.445 0.528 5.565 35 HA SER 4 HA SER 4 11.678 2.595 4.448 36 HB2 SER 4 2HB SER 4 13.849 0.947 3.110 37 HB3 SER 4 1HB SER 4 12.968 2.300 2.397 38 HG SER 4 HG SER 4 15.139 2.657 3.285 39 H CYS 5 H CYS 5 11.967 -0.517 5.385 40 HA CYS 5 HA CYS 5 10.073 -1.596 3.445 41 HB2 CYS 5 2HB CYS 5 12.108 -3.020 5.164 42 HB3 CYS 5 1HB CYS 5 10.948 -3.801 4.100 43 H CYS 6 H CYS 6 8.513 -3.073 4.435 44 HA CYS 6 HA CYS 6 7.899 -2.391 7.188 45 HB2 CYS 6 2HB CYS 6 6.225 -3.226 4.859 46 HB3 CYS 6 1HB CYS 6 5.602 -3.027 6.496 47 H LEU 7 H LEU 7 7.609 -3.997 8.538 48 HA LEU 7 HA LEU 7 8.052 -6.745 7.595 49 HB2 LEU 7 2HB LEU 7 8.516 -5.562 10.345 50 HB3 LEU 7 1HB LEU 7 8.678 -7.260 9.972 51 HG LEU 7 HG LEU 7 10.846 -6.344 10.124 52 HD11 LEU 7 1HD1 LEU 7 10.610 -7.967 8.395 53 HD12 LEU 7 2HD1 LEU 7 11.812 -6.758 7.940 54 HD13 LEU 7 3HD1 LEU 7 10.200 -6.714 7.226 55 HD21 LEU 7 1HD2 LEU 7 11.664 -4.464 8.751 56 HD22 LEU 7 2HD2 LEU 7 10.362 -3.975 9.837 57 HD23 LEU 7 3HD2 LEU 7 10.032 -4.227 8.124 58 H LYS 8 H LYS 8 5.716 -4.654 8.714 59 HA LYS 8 HA LYS 8 3.978 -6.906 9.395 60 HB2 LYS 8 2HB LYS 8 3.892 -4.148 10.688 61 HB3 LYS 8 1HB LYS 8 2.696 -5.398 10.911 62 HG2 LYS 8 2HG LYS 8 4.022 -5.404 12.866 63 HG3 LYS 8 1HG LYS 8 4.526 -6.813 11.945 64 HD2 LYS 8 2HD LYS 8 6.473 -5.736 12.850 65 HD3 LYS 8 1HD LYS 8 6.468 -5.474 11.103 66 HE2 LYS 8 2HE LYS 8 5.521 -3.220 11.489 67 HE3 LYS 8 1HE LYS 8 5.585 -3.512 13.222 68 HZ1 LYS 8 1HZ LYS 8 7.472 -2.234 12.522 69 HZ2 LYS 8 2HZ LYS 8 7.916 -3.349 11.380 70 HZ3 LYS 8 3HZ LYS 8 8.025 -3.742 13.025 71 H TYR 9 H TYR 9 1.686 -6.397 8.949 72 HA TYR 9 HA TYR 9 1.380 -4.377 6.850 73 HB2 TYR 9 2HB TYR 9 -0.477 -6.822 7.063 74 HB3 TYR 9 1HB TYR 9 -0.197 -5.715 5.781 75 HD1 TYR 9 1HD TYR 9 1.433 -6.060 4.160 76 HD2 TYR 9 2HD TYR 9 1.225 -8.599 7.528 77 HE1 TYR 9 1HE TYR 9 2.928 -7.679 3.030 78 HE2 TYR 9 2HE TYR 9 2.698 -10.216 6.431 79 HH TYR 9 HH TYR 9 4.426 -9.488 3.591 80 H THR 10 H THR 10 -0.645 -3.238 7.013 81 HA THR 10 HA THR 10 -1.515 -2.783 9.624 82 HB THR 10 HB THR 10 -1.564 -0.963 8.016 83 HG1 THR 10 1HG THR 10 -4.244 -1.000 8.126 84 HG21 THR 10 1HG2 THR 10 -3.151 -0.921 6.127 85 HG22 THR 10 2HG2 THR 10 -3.590 -2.602 6.479 86 HG23 THR 10 3HG2 THR 10 -1.949 -2.196 5.976 87 H LYS 11 H LYS 11 -3.329 -3.436 10.642 88 HA LYS 11 HA LYS 11 -4.666 -5.746 9.464 89 HB2 LYS 11 2HB LYS 11 -5.446 -6.215 11.735 90 HB3 LYS 11 1HB LYS 11 -3.697 -6.070 11.674 91 HG2 LYS 11 2HG LYS 11 -3.943 -3.726 12.517 92 HG3 LYS 11 1HG LYS 11 -5.665 -4.046 12.736 93 HD2 LYS 11 2HD LYS 11 -3.384 -5.524 14.054 94 HD3 LYS 11 1HD LYS 11 -4.440 -4.342 14.821 95 HE2 LYS 11 2HE LYS 11 -6.354 -5.808 14.498 96 HE3 LYS 11 1HE LYS 11 -5.344 -6.968 13.638 97 HZ1 LYS 11 1HZ LYS 11 -4.054 -7.271 15.650 98 HZ2 LYS 11 2HZ LYS 11 -5.673 -7.638 15.914 99 HZ3 LYS 11 3HZ LYS 11 -5.039 -6.186 16.485 100 H ARG 12 H ARG 12 -5.068 -2.540 9.685 101 HA ARG 12 HA ARG 12 -7.977 -2.763 9.555 102 HB2 ARG 12 2HB ARG 12 -7.178 -1.413 11.447 103 HB3 ARG 12 1HB ARG 12 -6.286 -0.383 10.338 104 HG2 ARG 12 2HG ARG 12 -8.381 0.316 9.308 105 HG3 ARG 12 1HG ARG 12 -9.273 -0.720 10.421 106 HD2 ARG 12 2HD ARG 12 -8.352 0.563 12.308 107 HD3 ARG 12 1HD ARG 12 -7.527 1.621 11.163 108 HE ARG 12 HE ARG 12 -10.217 1.528 10.499 109 HH11 ARG 12 1HH1 ARG 12 -8.142 2.797 13.071 110 HH12 ARG 12 2HH1 ARG 12 -9.219 4.040 13.500 111 HH21 ARG 12 1HH2 ARG 12 -11.705 3.247 11.127 112 HH22 ARG 12 2HH2 ARG 12 -11.272 4.290 12.389 113 HA PRO 13 HA PRO 13 -7.276 -1.699 5.274 114 HB2 PRO 13 2HB PRO 13 -9.884 -1.106 4.657 115 HB3 PRO 13 1HB PRO 13 -9.234 -2.745 4.717 116 HG2 PRO 13 2HG PRO 13 -10.829 -1.263 6.757 117 HG3 PRO 13 1HG PRO 13 -10.920 -2.968 6.278 118 HD2 PRO 13 2HD PRO 13 -9.689 -2.140 8.531 119 HD3 PRO 13 1HD PRO 13 -9.147 -3.566 7.627 120 H LEU 14 H LEU 14 -7.051 0.166 4.117 121 HA LEU 14 HA LEU 14 -7.594 2.694 5.494 122 HB2 LEU 14 2HB LEU 14 -5.231 2.078 4.914 123 HB3 LEU 14 1HB LEU 14 -5.703 2.019 3.236 124 HG LEU 14 HG LEU 14 -6.193 4.438 3.327 125 HD11 LEU 14 1HD1 LEU 14 -5.413 5.722 5.241 126 HD12 LEU 14 2HD1 LEU 14 -4.975 4.244 6.073 127 HD13 LEU 14 3HD1 LEU 14 -6.676 4.593 5.737 128 HD21 LEU 14 1HD2 LEU 14 -3.428 3.612 4.197 129 HD22 LEU 14 2HD2 LEU 14 -3.855 5.135 3.417 130 HD23 LEU 14 3HD2 LEU 14 -4.048 3.618 2.550 131 HA PRO 15 HA PRO 15 -10.647 3.228 2.193 132 HB2 PRO 15 2HB PRO 15 -10.478 6.113 2.837 133 HB3 PRO 15 1HB PRO 15 -11.885 5.047 2.870 134 HG2 PRO 15 2HG PRO 15 -10.767 5.925 5.141 135 HG3 PRO 15 1HG PRO 15 -11.428 4.287 5.011 136 HD2 PRO 15 2HD PRO 15 -8.583 5.196 4.890 137 HD3 PRO 15 1HD PRO 15 -9.283 3.780 5.706 138 H LEU 16 H LEU 16 -10.356 3.567 0.119 139 HA LEU 16 HA LEU 16 -7.865 4.271 -0.952 140 HB2 LEU 16 2HB LEU 16 -9.143 2.660 -2.035 141 HB3 LEU 16 1HB LEU 16 -10.530 3.761 -2.222 142 HG LEU 16 HG LEU 16 -9.040 5.032 -3.775 143 HD11 LEU 16 1HD1 LEU 16 -7.102 3.785 -4.692 144 HD12 LEU 16 2HD1 LEU 16 -7.314 2.597 -3.412 145 HD13 LEU 16 3HD1 LEU 16 -6.890 4.252 -3.000 146 HD21 LEU 16 1HD2 LEU 16 -9.677 2.176 -4.363 147 HD22 LEU 16 2HD2 LEU 16 -9.393 3.462 -5.569 148 HD23 LEU 16 3HD2 LEU 16 -10.757 3.583 -4.452 149 H LYS 17 H LYS 17 -10.814 5.998 -0.567 150 HA LYS 17 HA LYS 17 -10.359 8.174 -2.296 151 HB2 LYS 17 2HB LYS 17 -11.895 8.103 0.295 152 HB3 LYS 17 1HB LYS 17 -11.979 9.392 -0.891 153 HG2 LYS 17 2HG LYS 17 -12.930 7.815 -2.513 154 HG3 LYS 17 1HG LYS 17 -12.844 6.534 -1.298 155 HD2 LYS 17 2HD LYS 17 -14.325 7.789 0.162 156 HD3 LYS 17 1HD LYS 17 -14.396 9.109 -1.000 157 HE2 LYS 17 2HE LYS 17 -15.428 7.595 -2.628 158 HE3 LYS 17 1HE LYS 17 -15.362 6.289 -1.443 159 HZ1 LYS 17 1HZ LYS 17 -17.537 7.291 -1.494 160 HZ2 LYS 17 2HZ LYS 17 -16.896 8.817 -1.180 161 HZ3 LYS 17 3HZ LYS 17 -16.829 7.621 0.002 162 H ARG 18 H ARG 18 -8.695 7.288 0.418 163 HA ARG 18 HA ARG 18 -7.821 10.059 0.947 164 HB2 ARG 18 2HB ARG 18 -9.274 9.056 2.698 165 HB3 ARG 18 1HB ARG 18 -8.022 7.852 2.985 166 HG2 ARG 18 2HG ARG 18 -6.516 9.552 3.722 167 HG3 ARG 18 1HG ARG 18 -7.665 10.812 3.248 168 HD2 ARG 18 2HD ARG 18 -7.921 10.533 5.604 169 HD3 ARG 18 1HD ARG 18 -9.274 9.791 4.743 170 HE ARG 18 HE ARG 18 -7.206 7.946 5.368 171 HH11 ARG 18 1HH1 ARG 18 -10.175 9.501 6.495 172 HH12 ARG 18 2HH1 ARG 18 -10.477 8.372 7.731 173 HH21 ARG 18 1HH2 ARG 18 -7.632 6.347 7.144 174 HH22 ARG 18 2HH2 ARG 18 -9.015 6.566 8.079 175 H ILE 19 H ILE 19 -6.767 7.618 -0.622 176 HA ILE 19 HA ILE 19 -4.090 7.462 0.587 177 HB ILE 19 HB ILE 19 -5.226 5.746 -1.655 178 HG12 ILE 19 2HG1 ILE 19 -4.809 4.994 1.219 179 HG13 ILE 19 1HG1 ILE 19 -6.396 5.417 0.616 180 HG21 ILE 19 1HG2 ILE 19 -2.748 5.436 0.069 181 HG22 ILE 19 2HG2 ILE 19 -2.761 5.875 -1.635 182 HG23 ILE 19 3HG2 ILE 19 -3.296 4.276 -1.126 183 HD11 ILE 19 1HD1 ILE 19 -6.174 3.512 -1.011 184 HD12 ILE 19 2HD1 ILE 19 -6.168 3.025 0.691 185 HD13 ILE 19 3HD1 ILE 19 -4.667 3.131 -0.242 186 H LYS 20 H LYS 20 -2.461 8.491 -0.420 187 HA LYS 20 HA LYS 20 -3.016 10.013 -2.797 188 HB2 LYS 20 2HB LYS 20 -0.451 9.771 -1.194 189 HB3 LYS 20 1HB LYS 20 -0.735 10.910 -2.489 190 HG2 LYS 20 2HG LYS 20 -2.132 10.800 0.110 191 HG3 LYS 20 1HG LYS 20 -0.936 11.987 -0.413 192 HD2 LYS 20 2HD LYS 20 -3.647 11.481 -1.539 193 HD3 LYS 20 1HD LYS 20 -3.188 12.871 -0.595 194 HE2 LYS 20 2HE LYS 20 -2.058 12.240 -3.346 195 HE3 LYS 20 1HE LYS 20 -3.231 13.494 -2.968 196 HZ1 LYS 20 1HZ LYS 20 -1.552 14.552 -1.546 197 HZ2 LYS 20 2HZ LYS 20 -1.013 14.455 -3.118 198 HZ3 LYS 20 3HZ LYS 20 -0.423 13.403 -1.950 199 H SER 21 H SER 21 -0.858 7.357 -1.820 200 HA SER 21 HA SER 21 -0.757 6.202 -4.360 201 HB2 SER 21 2HB SER 21 1.611 6.768 -4.912 202 HB3 SER 21 1HB SER 21 0.551 8.175 -4.978 203 HG SER 21 HG SER 21 2.616 7.554 -3.288 204 H TYR 22 H TYR 22 1.149 4.582 -4.356 205 HA TYR 22 HA TYR 22 1.864 3.805 -1.612 206 HB2 TYR 22 2HB TYR 22 1.495 1.469 -2.145 207 HB3 TYR 22 1HB TYR 22 0.005 2.372 -2.319 208 HD1 TYR 22 1HD TYR 22 -1.171 2.279 -4.287 209 HD2 TYR 22 2HD TYR 22 2.806 0.847 -4.272 210 HE1 TYR 22 1HE TYR 22 -1.489 1.340 -6.526 211 HE2 TYR 22 2HE TYR 22 2.490 -0.090 -6.521 212 HH TYR 22 HH TYR 22 -0.196 0.748 -8.382 213 H THR 23 H THR 23 3.546 2.194 -1.619 214 HA THR 23 HA THR 23 5.343 2.422 -3.894 215 HB THR 23 HB THR 23 6.077 2.499 -0.957 216 HG1 THR 23 1HG THR 23 5.405 4.369 -2.563 217 HG21 THR 23 1HG2 THR 23 7.658 1.119 -2.250 218 HG22 THR 23 2HG2 THR 23 8.422 2.618 -1.704 219 HG23 THR 23 3HG2 THR 23 7.894 2.439 -3.385 220 H ILE 24 H ILE 24 6.099 0.537 -4.599 221 HA ILE 24 HA ILE 24 4.956 -1.834 -3.495 222 HB ILE 24 HB ILE 24 6.789 -1.475 -5.879 223 HG12 ILE 24 2HG1 ILE 24 3.786 -1.847 -5.747 224 HG13 ILE 24 1HG1 ILE 24 4.613 -0.340 -6.122 225 HG21 ILE 24 1HG2 ILE 24 5.155 -3.875 -5.024 226 HG22 ILE 24 2HG2 ILE 24 6.915 -3.749 -4.989 227 HG23 ILE 24 3HG2 ILE 24 6.061 -3.739 -6.531 228 HD11 ILE 24 1HD1 ILE 24 4.699 -2.862 -7.766 229 HD12 ILE 24 2HD1 ILE 24 5.517 -1.347 -8.159 230 HD13 ILE 24 3HD1 ILE 24 3.756 -1.418 -8.128 231 H GLN 25 H GLN 25 5.936 -2.497 -1.659 232 HA GLN 25 HA GLN 25 8.810 -2.740 -1.584 233 HB2 GLN 25 2HB GLN 25 7.789 -2.217 0.493 234 HB3 GLN 25 1HB GLN 25 6.589 -3.489 0.313 235 HG2 GLN 25 2HG GLN 25 8.325 -5.159 0.528 236 HG3 GLN 25 1HG GLN 25 9.518 -3.877 0.741 237 HE21 GLN 25 1HE2 GLN 25 8.582 -6.048 2.509 238 HE22 GLN 25 2HE2 GLN 25 8.145 -5.275 3.980 239 H SER 26 H SER 26 9.749 -4.415 -2.464 240 HA SER 26 HA SER 26 8.111 -6.750 -2.938 241 HB2 SER 26 2HB SER 26 9.017 -5.643 -4.940 242 HB3 SER 26 1HB SER 26 10.649 -5.858 -4.315 243 HG SER 26 HG SER 26 10.226 -7.452 -5.727 244 H ASN 27 H ASN 27 9.125 -8.801 -2.659 245 HA ASN 27 HA ASN 27 10.489 -9.041 -0.196 246 HB2 ASN 27 2HB ASN 27 8.617 -10.375 -1.290 247 HB3 ASN 27 1HB ASN 27 9.858 -11.085 -2.297 248 HD21 ASN 27 1HD2 ASN 27 8.003 -12.043 -0.373 249 HD22 ASN 27 2HD2 ASN 27 8.876 -13.014 0.753 250 H GLU 28 H GLU 28 11.501 -8.286 -3.215 251 HA GLU 28 HA GLU 28 13.860 -9.823 -3.606 252 HB2 GLU 28 2HB GLU 28 13.083 -7.086 -4.606 253 HB3 GLU 28 1HB GLU 28 14.414 -8.050 -5.223 254 HG2 GLU 28 2HG GLU 28 12.912 -9.693 -6.079 255 HG3 GLU 28 1HG GLU 28 11.539 -8.918 -5.289 256 H ALA 29 H ALA 29 13.189 -6.595 -2.265 257 HA ALA 29 HA ALA 29 15.966 -6.472 -1.301 258 HB1 ALA 29 1HB ALA 29 15.721 -4.060 -1.223 259 HB2 ALA 29 2HB ALA 29 14.031 -4.195 -1.704 260 HB3 ALA 29 3HB ALA 29 15.307 -4.664 -2.828 261 H CYS 30 H CYS 30 12.657 -6.469 -0.299 262 HA CYS 30 HA CYS 30 13.467 -5.884 2.452 263 HB2 CYS 30 2HB CYS 30 10.761 -5.846 1.151 264 HB3 CYS 30 1HB CYS 30 11.111 -5.413 2.821 265 H ASN 31 H ASN 31 12.452 -7.224 4.135 266 HA ASN 31 HA ASN 31 12.908 -9.948 3.685 267 HB2 ASN 31 2HB ASN 31 13.081 -8.919 5.922 268 HB3 ASN 31 1HB ASN 31 11.340 -8.675 5.946 269 HD21 ASN 31 1HD2 ASN 31 11.086 -9.937 7.816 270 HD22 ASN 31 2HD2 ASN 31 11.239 -11.640 7.793 271 H ILE 32 H ILE 32 9.926 -8.104 3.638 272 HA ILE 32 HA ILE 32 8.592 -10.463 2.510 273 HB ILE 32 HB ILE 32 6.495 -9.888 3.646 274 HG12 ILE 32 2HG1 ILE 32 8.083 -7.718 5.042 275 HG13 ILE 32 1HG1 ILE 32 6.871 -7.446 3.799 276 HG21 ILE 32 1HG2 ILE 32 8.793 -10.013 5.534 277 HG22 ILE 32 2HG2 ILE 32 8.011 -11.419 4.787 278 HG23 ILE 32 3HG2 ILE 32 7.128 -10.409 5.963 279 HD11 ILE 32 1HD1 ILE 32 6.385 -8.650 6.513 280 HD12 ILE 32 2HD1 ILE 32 5.159 -8.377 5.273 281 HD13 ILE 32 3HD1 ILE 32 5.989 -7.007 6.018 282 H LYS 33 H LYS 33 6.450 -9.643 1.480 283 HA LYS 33 HA LYS 33 7.119 -7.265 0.001 284 HB2 LYS 33 2HB LYS 33 6.728 -9.267 -1.345 285 HB3 LYS 33 1HB LYS 33 5.152 -9.485 -0.602 286 HG2 LYS 33 2HG LYS 33 4.393 -7.389 -1.609 287 HG3 LYS 33 1HG LYS 33 5.977 -7.176 -2.337 288 HD2 LYS 33 2HD LYS 33 5.695 -9.238 -3.596 289 HD3 LYS 33 1HD LYS 33 4.104 -9.476 -2.864 290 HE2 LYS 33 2HE LYS 33 3.332 -7.386 -3.859 291 HE3 LYS 33 1HE LYS 33 4.927 -7.127 -4.565 292 HZ1 LYS 33 1HZ LYS 33 3.119 -9.390 -5.183 293 HZ2 LYS 33 2HZ LYS 33 4.636 -9.101 -5.890 294 HZ3 LYS 33 3HZ LYS 33 3.372 -8.028 -6.145 295 H ALA 34 H ALA 34 6.023 -5.408 0.864 296 HA ALA 34 HA ALA 34 3.252 -5.771 1.665 297 HB1 ALA 34 1HB ALA 34 4.561 -5.866 3.765 298 HB2 ALA 34 2HB ALA 34 3.633 -4.388 3.702 299 HB3 ALA 34 3HB ALA 34 5.357 -4.357 3.347 300 H ILE 35 H ILE 35 2.181 -4.413 0.315 301 HA ILE 35 HA ILE 35 3.512 -2.247 -0.959 302 HB ILE 35 HB ILE 35 0.540 -2.823 -0.791 303 HG12 ILE 35 2HG1 ILE 35 1.906 -4.592 -1.810 304 HG13 ILE 35 1HG1 ILE 35 0.812 -3.860 -2.994 305 HG21 ILE 35 1HG2 ILE 35 0.350 -1.302 -2.773 306 HG22 ILE 35 2HG2 ILE 35 2.061 -0.953 -2.646 307 HG23 ILE 35 3HG2 ILE 35 0.979 -0.451 -1.368 308 HD11 ILE 35 1HD1 ILE 35 2.928 -4.298 -3.985 309 HD12 ILE 35 2HD1 ILE 35 3.791 -3.455 -2.690 310 HD13 ILE 35 3HD1 ILE 35 2.763 -2.555 -3.814 311 H ILE 36 H ILE 36 3.745 -0.249 -0.355 312 HA ILE 36 HA ILE 36 2.872 0.361 2.347 313 HB ILE 36 HB ILE 36 5.051 1.512 0.586 314 HG12 ILE 36 2HG1 ILE 36 5.404 -0.226 3.000 315 HG13 ILE 36 1HG1 ILE 36 5.083 -0.951 1.430 316 HG21 ILE 36 1HG2 ILE 36 4.227 3.099 2.303 317 HG22 ILE 36 2HG2 ILE 36 5.855 2.531 2.680 318 HG23 ILE 36 3HG2 ILE 36 4.466 1.865 3.543 319 HD11 ILE 36 1HD1 ILE 36 7.078 0.018 0.553 320 HD12 ILE 36 2HD1 ILE 36 7.407 -0.948 1.981 321 HD13 ILE 36 3HD1 ILE 36 7.428 0.834 2.093 322 H PHE 37 H PHE 37 1.098 1.507 2.384 323 HA PHE 37 HA PHE 37 0.262 3.208 0.214 324 HB2 PHE 37 2HB PHE 37 -0.968 2.092 2.696 325 HB3 PHE 37 1HB PHE 37 -1.746 3.432 1.847 326 HD1 PHE 37 1HD PHE 37 0.021 0.591 0.360 327 HD2 PHE 37 2HD PHE 37 -3.682 2.360 1.193 328 HE1 PHE 37 1HE PHE 37 -1.148 -1.074 -1.155 329 HE2 PHE 37 2HE PHE 37 -4.827 0.758 -0.263 330 HZ PHE 37 HZ PHE 37 -3.546 -0.953 -1.432 331 H THR 38 H THR 38 0.047 5.282 0.369 332 HA THR 38 HA THR 38 0.787 6.550 2.908 333 HB THR 38 HB THR 38 1.362 7.545 0.102 334 HG1 THR 38 1HG THR 38 2.590 5.896 1.738 335 HG21 THR 38 1HG2 THR 38 0.890 9.361 1.652 336 HG22 THR 38 2HG2 THR 38 2.613 9.338 1.262 337 HG23 THR 38 3HG2 THR 38 2.027 8.694 2.812 338 H THR 39 H THR 39 -0.707 8.104 3.730 339 HA THR 39 HA THR 39 -3.135 8.237 2.217 340 HB THR 39 HB THR 39 -3.896 9.470 4.285 341 HG1 THR 39 1HG THR 39 -2.597 9.007 6.136 342 HG21 THR 39 1HG2 THR 39 -4.449 7.151 3.913 343 HG22 THR 39 2HG2 THR 39 -4.110 7.431 5.621 344 HG23 THR 39 3HG2 THR 39 -2.900 6.654 4.600 345 H LYS 40 H LYS 40 -4.201 10.464 2.448 346 HA LYS 40 HA LYS 40 -2.570 12.392 1.231 347 HB2 LYS 40 2HB LYS 40 -5.097 12.811 2.739 348 HB3 LYS 40 1HB LYS 40 -4.502 13.876 1.458 349 HG2 LYS 40 2HG LYS 40 -4.767 11.566 -0.020 350 HG3 LYS 40 1HG LYS 40 -5.774 11.201 1.313 351 HD2 LYS 40 2HD LYS 40 -7.311 12.898 0.896 352 HD3 LYS 40 1HD LYS 40 -6.193 13.719 -0.209 353 HE2 LYS 40 2HE LYS 40 -6.312 11.915 -1.773 354 HE3 LYS 40 1HE LYS 40 -7.322 10.965 -0.702 355 HZ1 LYS 40 1HZ LYS 40 -9.045 12.642 -0.938 356 HZ2 LYS 40 2HZ LYS 40 -8.608 11.979 -2.409 357 HZ3 LYS 40 3HZ LYS 40 -8.089 13.523 -2.016 358 H LYS 41 H LYS 41 -2.999 11.454 4.473 359 HA LYS 41 HA LYS 41 -2.039 13.863 5.682 360 HB2 LYS 41 2HB LYS 41 -3.363 11.974 6.838 361 HB3 LYS 41 1HB LYS 41 -1.908 11.055 6.717 362 HG2 LYS 41 2HG LYS 41 -2.136 12.047 8.960 363 HG3 LYS 41 1HG LYS 41 -0.664 12.538 8.123 364 HD2 LYS 41 2HD LYS 41 -1.739 14.667 7.502 365 HD3 LYS 41 1HD LYS 41 -3.202 14.171 8.356 366 HE2 LYS 41 2HE LYS 41 -1.850 15.697 9.703 367 HE3 LYS 41 1HE LYS 41 -1.949 14.105 10.452 368 HZ1 LYS 41 1HZ LYS 41 0.364 15.106 8.857 369 HZ2 LYS 41 2HZ LYS 41 0.252 13.606 9.618 370 HZ3 LYS 41 3HZ LYS 41 0.293 15.017 10.526 371 H GLY 42 H GLY 42 -0.781 11.292 3.924 372 HA2 GLY 42 2HA GLY 42 1.332 11.077 3.065 373 HA3 GLY 42 1HA GLY 42 1.874 12.333 4.150 374 H ARG 43 H ARG 43 0.210 9.765 5.654 375 HA ARG 43 HA ARG 43 2.576 8.925 7.082 376 HB2 ARG 43 2HB ARG 43 -0.182 7.783 7.050 377 HB3 ARG 43 1HB ARG 43 1.085 7.226 8.127 378 HG2 ARG 43 2HG ARG 43 1.141 9.562 9.073 379 HG3 ARG 43 1HG ARG 43 -0.299 9.906 8.110 380 HD2 ARG 43 2HD ARG 43 -0.047 7.736 10.194 381 HD3 ARG 43 1HD ARG 43 -0.879 9.271 10.409 382 HE ARG 43 HE ARG 43 -2.404 8.528 8.617 383 HH11 ARG 43 1HH1 ARG 43 -0.608 6.026 10.381 384 HH12 ARG 43 2HH1 ARG 43 -1.803 4.844 10.211 385 HH21 ARG 43 1HH2 ARG 43 -4.058 6.881 8.380 386 HH22 ARG 43 2HH2 ARG 43 -3.808 5.340 9.053 387 H LYS 44 H LYS 44 3.147 6.584 7.330 388 HA LYS 44 HA LYS 44 3.096 5.205 4.750 389 HB2 LYS 44 2HB LYS 44 4.881 4.880 7.177 390 HB3 LYS 44 1HB LYS 44 4.900 3.782 5.810 391 HG2 LYS 44 2HG LYS 44 5.562 6.724 5.698 392 HG3 LYS 44 1HG LYS 44 6.738 5.409 5.745 393 HD2 LYS 44 2HD LYS 44 5.760 4.522 3.641 394 HD3 LYS 44 1HD LYS 44 4.692 5.922 3.581 395 HE2 LYS 44 2HE LYS 44 6.594 6.286 2.134 396 HE3 LYS 44 1HE LYS 44 6.653 7.391 3.500 397 HZ1 LYS 44 1HZ LYS 44 8.225 4.866 3.324 398 HZ2 LYS 44 2HZ LYS 44 8.362 6.063 4.526 399 HZ3 LYS 44 3HZ LYS 44 8.819 6.387 2.968 400 H ILE 45 H ILE 45 1.467 3.825 4.592 401 HA ILE 45 HA ILE 45 0.690 2.295 6.961 402 HB ILE 45 HB ILE 45 -0.920 2.844 4.437 403 HG12 ILE 45 2HG1 ILE 45 -2.547 4.004 6.070 404 HG13 ILE 45 1HG1 ILE 45 -1.236 3.951 7.236 405 HG21 ILE 45 1HG2 ILE 45 -1.723 1.323 6.903 406 HG22 ILE 45 2HG2 ILE 45 -1.430 0.656 5.295 407 HG23 ILE 45 3HG2 ILE 45 -2.797 1.739 5.570 408 HD11 ILE 45 1HD1 ILE 45 -1.449 6.110 6.184 409 HD12 ILE 45 2HD1 ILE 45 -1.188 5.379 4.599 410 HD13 ILE 45 3HD1 ILE 45 0.108 5.369 5.799 411 H CYS 46 H CYS 46 1.774 0.467 6.873 412 HA CYS 46 HA CYS 46 2.655 -0.743 4.416 413 HB2 CYS 46 2HB CYS 46 2.632 -1.735 7.257 414 HB3 CYS 46 1HB CYS 46 3.565 -2.479 5.977 415 H ALA 47 H ALA 47 1.207 -1.883 3.154 416 HA ALA 47 HA ALA 47 -0.972 -3.188 4.611 417 HB1 ALA 47 1HB ALA 47 -1.047 -2.029 1.837 418 HB2 ALA 47 2HB ALA 47 -1.717 -1.269 3.282 419 HB3 ALA 47 3HB ALA 47 -2.389 -2.789 2.692 420 H ASN 48 H ASN 48 -1.699 -5.146 3.926 421 HA ASN 48 HA ASN 48 0.296 -6.825 2.773 422 HB2 ASN 48 2HB ASN 48 -0.870 -7.691 4.606 423 HB3 ASN 48 1HB ASN 48 -2.446 -7.320 3.974 424 HD21 ASN 48 1HD2 ASN 48 0.296 -8.870 2.331 425 HD22 ASN 48 2HD2 ASN 48 -0.575 -10.342 2.065 426 HA PRO 49 HA PRO 49 -1.249 -6.080 -1.404 427 HB2 PRO 49 2HB PRO 49 0.385 -7.941 -2.549 428 HB3 PRO 49 1HB PRO 49 0.818 -6.245 -2.320 429 HG2 PRO 49 2HG PRO 49 1.590 -8.638 -0.741 430 HG3 PRO 49 1HG PRO 49 2.509 -7.156 -1.057 431 HD2 PRO 49 2HD PRO 49 1.331 -7.643 1.328 432 HD3 PRO 49 1HD PRO 49 1.501 -6.009 0.670 433 H ASN 50 H ASN 50 -1.040 -9.087 0.315 434 HA ASN 50 HA ASN 50 -2.378 -10.595 -1.623 435 HB2 ASN 50 2HB ASN 50 -2.107 -11.090 1.330 436 HB3 ASN 50 1HB ASN 50 -2.738 -12.210 0.120 437 HD21 ASN 50 1HD2 ASN 50 -0.328 -12.207 1.909 438 HD22 ASN 50 2HD2 ASN 50 0.979 -12.566 0.849 439 H GLU 51 H GLU 51 -3.416 -8.205 0.588 440 HA GLU 51 HA GLU 51 -6.057 -9.271 0.972 441 HB2 GLU 51 2HB GLU 51 -5.087 -6.464 1.454 442 HB3 GLU 51 1HB GLU 51 -6.572 -7.173 2.060 443 HG2 GLU 51 2HG GLU 51 -4.906 -8.882 3.212 444 HG3 GLU 51 1HG GLU 51 -3.786 -7.626 2.785 445 H LYS 52 H LYS 52 -7.791 -8.893 -0.187 446 HA LYS 52 HA LYS 52 -7.493 -8.124 -2.838 447 HB2 LYS 52 2HB LYS 52 -9.224 -9.685 -2.005 448 HB3 LYS 52 1HB LYS 52 -10.053 -8.334 -1.252 449 HG2 LYS 52 2HG LYS 52 -10.492 -7.354 -3.426 450 HG3 LYS 52 1HG LYS 52 -9.579 -8.645 -4.209 451 HD2 LYS 52 2HD LYS 52 -11.193 -10.293 -3.314 452 HD3 LYS 52 1HD LYS 52 -12.114 -8.971 -2.600 453 HE2 LYS 52 2HE LYS 52 -11.568 -9.347 -5.546 454 HE3 LYS 52 1HE LYS 52 -13.082 -9.734 -4.735 455 HZ1 LYS 52 1HZ LYS 52 -13.318 -7.400 -4.166 456 HZ2 LYS 52 2HZ LYS 52 -13.210 -7.612 -5.823 457 HZ3 LYS 52 3HZ LYS 52 -11.884 -7.018 -4.976 458 H TRP 53 H TRP 53 -8.452 -6.220 -0.024 459 HA TRP 53 HA TRP 53 -9.495 -4.062 -1.525 460 HB2 TRP 53 2HB TRP 53 -9.466 -2.708 0.467 461 HB3 TRP 53 1HB TRP 53 -9.958 -4.328 0.930 462 HD1 TRP 53 HD TRP 53 -8.189 -5.703 2.512 463 HE1 TRP 53 1HE TRP 53 -6.299 -4.888 4.024 464 HE3 TRP 53 3HE TRP 53 -7.649 -0.962 0.679 465 HZ2 TRP 53 2HZ TRP 53 -4.763 -2.572 4.409 466 HZ3 TRP 53 3HZ TRP 53 -5.935 0.480 1.676 467 HH2 TRP 53 HH TRP 53 -4.523 -0.307 3.506 468 H VAL 54 H VAL 54 -6.301 -4.946 -0.590 469 HA VAL 54 HA VAL 54 -5.015 -2.470 -1.185 470 HB VAL 54 HB VAL 54 -3.909 -5.281 -0.883 471 HG11 VAL 54 1HG1 VAL 54 -2.424 -2.662 -1.012 472 HG12 VAL 54 2HG1 VAL 54 -2.376 -3.930 -2.239 473 HG13 VAL 54 3HG1 VAL 54 -1.708 -4.223 -0.626 474 HG21 VAL 54 1HG2 VAL 54 -3.918 -2.923 0.972 475 HG22 VAL 54 2HG2 VAL 54 -3.175 -4.492 1.294 476 HG23 VAL 54 3HG2 VAL 54 -4.926 -4.358 1.120 477 H GLN 55 H GLN 55 -5.489 -5.507 -2.818 478 HA GLN 55 HA GLN 55 -3.994 -5.008 -5.113 479 HB2 GLN 55 2HB GLN 55 -6.459 -6.671 -4.840 480 HB3 GLN 55 1HB GLN 55 -5.230 -6.825 -6.107 481 HG2 GLN 55 2HG GLN 55 -3.579 -7.195 -4.297 482 HG3 GLN 55 1HG GLN 55 -4.933 -7.288 -3.176 483 HE21 GLN 55 1HE2 GLN 55 -3.005 -9.136 -3.757 484 HE22 GLN 55 2HE2 GLN 55 -3.722 -10.553 -4.385 485 H LYS 56 H LYS 56 -7.348 -4.508 -4.267 486 HA LYS 56 HA LYS 56 -8.430 -3.474 -6.598 487 HB2 LYS 56 2HB LYS 56 -9.676 -4.284 -4.678 488 HB3 LYS 56 1HB LYS 56 -9.015 -3.010 -3.688 489 HG2 LYS 56 2HG LYS 56 -10.251 -1.365 -4.940 490 HG3 LYS 56 1HG LYS 56 -10.872 -2.636 -6.010 491 HD2 LYS 56 2HD LYS 56 -11.902 -3.756 -4.095 492 HD3 LYS 56 1HD LYS 56 -11.286 -2.514 -3.025 493 HE2 LYS 56 2HE LYS 56 -12.659 -0.843 -4.121 494 HE3 LYS 56 1HE LYS 56 -13.215 -2.049 -5.286 495 HZ1 LYS 56 1HZ LYS 56 -14.273 -3.255 -3.524 496 HZ2 LYS 56 2HZ LYS 56 -14.811 -1.669 -3.504 497 HZ3 LYS 56 3HZ LYS 56 -13.689 -2.186 -2.354 498 H ALA 57 H ALA 57 -6.986 -1.866 -3.778 499 HA ALA 57 HA ALA 57 -7.241 0.798 -4.685 500 HB1 ALA 57 1HB ALA 57 -5.598 1.345 -2.961 501 HB2 ALA 57 2HB ALA 57 -5.198 -0.351 -2.764 502 HB3 ALA 57 3HB ALA 57 -6.811 0.228 -2.328 503 H MET 58 H MET 58 -4.628 -1.518 -5.013 504 HA MET 58 HA MET 58 -2.831 0.236 -6.093 505 HB2 MET 58 2HB MET 58 -2.953 -2.746 -6.478 506 HB3 MET 58 1HB MET 58 -1.643 -1.758 -7.104 507 HG2 MET 58 2HG MET 58 -1.245 -0.974 -4.756 508 HG3 MET 58 1HG MET 58 -2.408 -2.189 -4.232 509 HE1 MET 58 1HE MET 58 -0.544 -5.498 -5.257 510 HE2 MET 58 2HE MET 58 -1.745 -4.647 -6.232 511 HE3 MET 58 3HE MET 58 -1.986 -4.837 -4.486 512 H LYS 59 H LYS 59 -5.283 -1.639 -7.699 513 HA LYS 59 HA LYS 59 -4.422 -1.080 -10.334 514 HB2 LYS 59 2HB LYS 59 -7.203 -1.743 -9.334 515 HB3 LYS 59 1HB LYS 59 -6.683 -1.808 -11.012 516 HG2 LYS 59 2HG LYS 59 -5.075 -3.570 -10.450 517 HG3 LYS 59 1HG LYS 59 -5.586 -3.492 -8.771 518 HD2 LYS 59 2HD LYS 59 -7.847 -4.161 -9.436 519 HD3 LYS 59 1HD LYS 59 -7.322 -4.267 -11.122 520 HE2 LYS 59 2HE LYS 59 -5.691 -6.000 -10.466 521 HE3 LYS 59 1HE LYS 59 -6.267 -5.888 -8.807 522 HZ1 LYS 59 1HZ LYS 59 -8.474 -6.647 -9.605 523 HZ2 LYS 59 2HZ LYS 59 -7.256 -7.756 -9.933 524 HZ3 LYS 59 3HZ LYS 59 -7.844 -6.796 -11.158 525 H HIS 60 H HIS 60 -6.576 0.611 -8.112 526 HA HIS 60 HA HIS 60 -7.366 2.603 -9.985 527 HB2 HIS 60 2HB HIS 60 -8.836 2.069 -8.165 528 HB3 HIS 60 1HB HIS 60 -7.572 2.397 -6.986 529 HD1 HIS 60 1HD HIS 60 -9.977 4.218 -9.337 530 HD2 HIS 60 2HD HIS 60 -7.375 4.983 -6.211 531 HE1 HIS 60 1HE HIS 60 -10.422 6.578 -8.697 532 HE2 HIS 60 2HE HIS 60 -8.919 7.028 -6.742 533 H LEU 61 H LEU 61 -4.884 2.348 -7.527 534 HA LEU 61 HA LEU 61 -4.096 5.085 -7.761 535 HB2 LEU 61 2HB LEU 61 -2.817 2.734 -6.423 536 HB3 LEU 61 1HB LEU 61 -2.139 4.353 -6.356 537 HG LEU 61 HG LEU 61 -4.881 3.608 -5.316 538 HD11 LEU 61 1HD1 LEU 61 -2.289 4.029 -3.831 539 HD12 LEU 61 2HD1 LEU 61 -3.155 2.491 -4.020 540 HD13 LEU 61 3HD1 LEU 61 -3.880 3.806 -3.105 541 HD21 LEU 61 1HD2 LEU 61 -3.186 6.076 -4.989 542 HD22 LEU 61 2HD2 LEU 61 -4.729 5.777 -4.190 543 HD23 LEU 61 3HD2 LEU 61 -4.669 5.961 -5.945 544 H ASP 62 H ASP 62 -2.928 2.093 -9.234 545 HA ASP 62 HA ASP 62 -0.635 3.416 -10.401 546 HB2 ASP 62 2HB ASP 62 -0.578 0.988 -9.952 547 HB3 ASP 62 1HB ASP 62 -1.915 0.766 -11.075 548 H LYS 63 H LYS 63 -3.913 2.719 -11.313 549 HA LYS 63 HA LYS 63 -3.428 4.040 -13.839 550 HB2 LYS 63 2HB LYS 63 -5.735 2.272 -13.089 551 HB3 LYS 63 1HB LYS 63 -5.421 2.942 -14.681 552 HG2 LYS 63 2HG LYS 63 -3.363 1.608 -14.819 553 HG3 LYS 63 1HG LYS 63 -3.709 0.939 -13.237 554 HD2 LYS 63 2HD LYS 63 -5.525 0.632 -15.632 555 HD3 LYS 63 1HD LYS 63 -4.319 -0.549 -15.161 556 HE2 LYS 63 2HE LYS 63 -6.481 -1.282 -14.361 557 HE3 LYS 63 1HE LYS 63 -5.502 -0.825 -12.978 558 HZ1 LYS 63 1HZ LYS 63 -7.603 0.952 -14.156 559 HZ2 LYS 63 2HZ LYS 63 -6.779 1.128 -12.693 560 HZ3 LYS 63 3HZ LYS 63 -7.837 -0.131 -12.887 561 H LYS 64 H LYS 64 -3.558 6.033 -12.684 562 HA LYS 64 HA LYS 64 -6.193 6.670 -11.603 563 HB2 LYS 64 2HB LYS 64 -4.216 6.872 -10.121 564 HB3 LYS 64 1HB LYS 64 -3.547 8.076 -11.208 565 HG2 LYS 64 2HG LYS 64 -5.526 9.495 -10.776 566 HG3 LYS 64 1HG LYS 64 -6.081 8.307 -9.596 567 HD2 LYS 64 2HD LYS 64 -3.493 9.865 -9.489 568 HD3 LYS 64 1HD LYS 64 -4.918 10.132 -8.490 569 HE2 LYS 64 2HE LYS 64 -4.639 7.916 -7.496 570 HE3 LYS 64 1HE LYS 64 -3.230 7.635 -8.522 571 HZ1 LYS 64 1HZ LYS 64 -2.175 9.564 -7.453 572 HZ2 LYS 64 2HZ LYS 64 -2.472 8.334 -6.383 573 HZ3 LYS 64 3HZ LYS 64 -3.474 9.686 -6.387 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 9.673 8.732 9.271 2 H2 ALA 1 2HT ALA 1 8.959 9.375 7.881 3 H3 ALA 1 3HT ALA 1 10.559 9.772 8.296 4 HA ALA 1 HA ALA 1 9.617 7.081 7.617 5 HB1 ALA 1 1HB ALA 1 10.853 7.353 5.532 6 HB2 ALA 1 2HB ALA 1 11.253 9.015 5.977 7 HB3 ALA 1 3HB ALA 1 9.579 8.560 5.664 8 H ARG 2 H ARG 2 10.730 5.875 9.020 9 HA ARG 2 HA ARG 2 13.565 6.475 9.425 10 HB2 ARG 2 2HB ARG 2 12.298 6.382 11.492 11 HB3 ARG 2 1HB ARG 2 11.619 4.829 11.054 12 HG2 ARG 2 2HG ARG 2 13.355 4.606 12.756 13 HG3 ARG 2 1HG ARG 2 13.796 3.779 11.267 14 HD2 ARG 2 2HD ARG 2 15.235 5.643 10.642 15 HD3 ARG 2 1HD ARG 2 14.775 6.510 12.109 16 HE ARG 2 HE ARG 2 15.692 4.313 13.168 17 HH11 ARG 2 1HH1 ARG 2 17.098 6.149 10.480 18 HH12 ARG 2 2HH1 ARG 2 18.700 5.740 10.869 19 HH21 ARG 2 1HH2 ARG 2 17.914 3.744 13.680 20 HH22 ARG 2 2HH2 ARG 2 19.172 4.337 12.703 21 H LYS 3 H LYS 3 11.306 3.852 8.695 22 HA LYS 3 HA LYS 3 13.575 2.372 7.596 23 HB2 LYS 3 2HB LYS 3 12.305 0.298 8.096 24 HB3 LYS 3 1HB LYS 3 12.690 1.235 9.529 25 HG2 LYS 3 2HG LYS 3 10.386 2.123 9.522 26 HG3 LYS 3 1HG LYS 3 10.018 1.084 8.144 27 HD2 LYS 3 2HD LYS 3 9.248 0.031 10.189 28 HD3 LYS 3 1HD LYS 3 10.612 -0.884 9.543 29 HE2 LYS 3 2HE LYS 3 12.109 0.226 11.132 30 HE3 LYS 3 1HE LYS 3 10.755 1.162 11.758 31 HZ1 LYS 3 1HZ LYS 3 9.734 -0.927 12.469 32 HZ2 LYS 3 2HZ LYS 3 11.255 -0.699 13.160 33 HZ3 LYS 3 3HZ LYS 3 11.078 -1.772 11.880 34 H SER 4 H SER 4 13.376 1.485 5.583 35 HA SER 4 HA SER 4 11.394 2.768 3.913 36 HB2 SER 4 2HB SER 4 13.750 1.023 3.185 37 HB3 SER 4 1HB SER 4 12.782 1.984 2.063 38 HG SER 4 HG SER 4 14.877 2.842 3.007 39 H CYS 5 H CYS 5 11.869 -0.256 5.398 40 HA CYS 5 HA CYS 5 10.006 -1.517 3.531 41 HB2 CYS 5 2HB CYS 5 12.100 -2.813 5.267 42 HB3 CYS 5 1HB CYS 5 10.984 -3.634 4.191 43 H CYS 6 H CYS 6 8.546 -3.051 4.468 44 HA CYS 6 HA CYS 6 7.851 -2.464 7.225 45 HB2 CYS 6 2HB CYS 6 6.237 -3.294 4.847 46 HB3 CYS 6 1HB CYS 6 5.598 -3.182 6.482 47 H LEU 7 H LEU 7 7.465 -4.164 8.523 48 HA LEU 7 HA LEU 7 7.995 -6.845 7.440 49 HB2 LEU 7 2HB LEU 7 8.567 -5.796 10.226 50 HB3 LEU 7 1HB LEU 7 8.693 -7.477 9.780 51 HG LEU 7 HG LEU 7 10.518 -6.823 8.165 52 HD11 LEU 7 1HD1 LEU 7 11.665 -4.693 8.488 53 HD12 LEU 7 2HD1 LEU 7 10.385 -4.173 9.587 54 HD13 LEU 7 3HD1 LEU 7 10.022 -4.470 7.887 55 HD21 LEU 7 1HD2 LEU 7 11.031 -7.807 10.313 56 HD22 LEU 7 2HD2 LEU 7 10.972 -6.220 11.079 57 HD23 LEU 7 3HD2 LEU 7 12.229 -6.580 9.899 58 H LYS 8 H LYS 8 5.573 -4.960 8.216 59 HA LYS 8 HA LYS 8 3.938 -7.113 9.243 60 HB2 LYS 8 2HB LYS 8 2.745 -5.480 10.594 61 HB3 LYS 8 1HB LYS 8 4.420 -5.641 11.126 62 HG2 LYS 8 2HG LYS 8 4.983 -3.560 9.999 63 HG3 LYS 8 1HG LYS 8 3.342 -3.427 9.373 64 HD2 LYS 8 2HD LYS 8 3.647 -1.958 11.289 65 HD3 LYS 8 1HD LYS 8 2.495 -3.233 11.672 66 HE2 LYS 8 2HE LYS 8 4.278 -4.463 12.851 67 HE3 LYS 8 1HE LYS 8 5.410 -3.170 12.460 68 HZ1 LYS 8 1HZ LYS 8 2.960 -2.869 14.109 69 HZ2 LYS 8 2HZ LYS 8 4.056 -1.649 13.753 70 HZ3 LYS 8 3HZ LYS 8 4.536 -2.951 14.693 71 H TYR 9 H TYR 9 1.664 -6.671 8.760 72 HA TYR 9 HA TYR 9 1.195 -4.756 6.582 73 HB2 TYR 9 2HB TYR 9 -0.465 -7.329 6.847 74 HB3 TYR 9 1HB TYR 9 -0.313 -6.202 5.568 75 HD1 TYR 9 1HD TYR 9 1.318 -6.320 3.955 76 HD2 TYR 9 2HD TYR 9 1.372 -9.024 7.191 77 HE1 TYR 9 1HE TYR 9 2.913 -7.756 2.717 78 HE2 TYR 9 2HE TYR 9 2.957 -10.477 5.991 79 HH TYR 9 HH TYR 9 4.535 -9.404 3.154 80 H THR 10 H THR 10 -0.700 -3.513 6.924 81 HA THR 10 HA THR 10 -1.648 -3.398 9.547 82 HB THR 10 HB THR 10 -1.565 -1.367 8.181 83 HG1 THR 10 1HG THR 10 -4.278 -1.401 8.320 84 HG21 THR 10 1HG2 THR 10 -3.153 -1.002 6.320 85 HG22 THR 10 2HG2 THR 10 -3.684 -2.683 6.469 86 HG23 THR 10 3HG2 THR 10 -2.028 -2.318 5.988 87 H LYS 11 H LYS 11 -3.470 -4.155 10.413 88 HA LYS 11 HA LYS 11 -4.856 -6.287 9.011 89 HB2 LYS 11 2HB LYS 11 -4.058 -6.513 11.341 90 HB3 LYS 11 1HB LYS 11 -5.119 -5.203 11.816 91 HG2 LYS 11 2HG LYS 11 -7.047 -6.578 11.173 92 HG3 LYS 11 1HG LYS 11 -5.938 -7.902 10.784 93 HD2 LYS 11 2HD LYS 11 -5.082 -7.835 13.077 94 HD3 LYS 11 1HD LYS 11 -6.236 -6.561 13.463 95 HE2 LYS 11 2HE LYS 11 -8.074 -8.089 12.929 96 HE3 LYS 11 1HE LYS 11 -6.898 -9.356 12.573 97 HZ1 LYS 11 1HZ LYS 11 -6.119 -9.180 14.865 98 HZ2 LYS 11 2HZ LYS 11 -7.737 -9.625 14.763 99 HZ3 LYS 11 3HZ LYS 11 -7.330 -8.037 15.190 100 H ARG 12 H ARG 12 -5.183 -3.049 9.945 101 HA ARG 12 HA ARG 12 -8.063 -2.930 9.616 102 HB2 ARG 12 2HB ARG 12 -7.046 -1.757 11.486 103 HB3 ARG 12 1HB ARG 12 -5.991 -0.886 10.390 104 HG2 ARG 12 2HG ARG 12 -7.916 0.280 9.455 105 HG3 ARG 12 1HG ARG 12 -8.988 -0.610 10.543 106 HD2 ARG 12 2HD ARG 12 -7.835 0.326 12.471 107 HD3 ARG 12 1HD ARG 12 -6.730 1.189 11.408 108 HE ARG 12 HE ARG 12 -9.179 2.036 10.640 109 HH11 ARG 12 1HH1 ARG 12 -7.490 1.932 13.760 110 HH12 ARG 12 2HH1 ARG 12 -8.217 3.329 14.373 111 HH21 ARG 12 1HH2 ARG 12 -10.196 3.990 11.509 112 HH22 ARG 12 2HH2 ARG 12 -9.763 4.526 13.068 113 HA PRO 13 HA PRO 13 -7.346 -1.811 5.338 114 HB2 PRO 13 2HB PRO 13 -9.948 -1.225 4.735 115 HB3 PRO 13 1HB PRO 13 -9.318 -2.872 4.807 116 HG2 PRO 13 2HG PRO 13 -10.873 -1.349 6.857 117 HG3 PRO 13 1HG PRO 13 -11.027 -3.048 6.367 118 HD2 PRO 13 2HD PRO 13 -9.738 -2.281 8.616 119 HD3 PRO 13 1HD PRO 13 -9.252 -3.714 7.691 120 H LEU 14 H LEU 14 -7.045 0.095 4.297 121 HA LEU 14 HA LEU 14 -7.612 2.577 5.748 122 HB2 LEU 14 2HB LEU 14 -5.241 1.936 5.106 123 HB3 LEU 14 1HB LEU 14 -5.741 2.008 3.440 124 HG LEU 14 HG LEU 14 -6.176 4.432 3.713 125 HD11 LEU 14 1HD1 LEU 14 -5.261 5.568 5.665 126 HD12 LEU 14 2HD1 LEU 14 -4.876 4.021 6.402 127 HD13 LEU 14 3HD1 LEU 14 -6.566 4.477 6.140 128 HD21 LEU 14 1HD2 LEU 14 -3.415 3.456 4.413 129 HD22 LEU 14 2HD2 LEU 14 -3.815 5.047 3.764 130 HD23 LEU 14 3HD2 LEU 14 -4.097 3.606 2.796 131 HA PRO 15 HA PRO 15 -10.609 3.213 2.417 132 HB2 PRO 15 2HB PRO 15 -10.605 6.068 3.053 133 HB3 PRO 15 1HB PRO 15 -11.908 4.895 3.252 134 HG2 PRO 15 2HG PRO 15 -10.600 5.996 5.354 135 HG3 PRO 15 1HG PRO 15 -11.284 4.363 5.394 136 HD2 PRO 15 2HD PRO 15 -8.451 5.228 5.001 137 HD3 PRO 15 1HD PRO 15 -9.100 3.860 5.936 138 H LEU 16 H LEU 16 -10.311 3.609 0.345 139 HA LEU 16 HA LEU 16 -7.860 4.482 -0.727 140 HB2 LEU 16 2HB LEU 16 -9.193 2.884 -1.860 141 HB3 LEU 16 1HB LEU 16 -10.528 4.041 -2.036 142 HG LEU 16 HG LEU 16 -8.923 5.362 -3.439 143 HD11 LEU 16 1HD1 LEU 16 -7.026 4.068 -4.396 144 HD12 LEU 16 2HD1 LEU 16 -7.348 2.819 -3.201 145 HD13 LEU 16 3HD1 LEU 16 -6.849 4.415 -2.675 146 HD21 LEU 16 1HD2 LEU 16 -9.718 2.602 -4.260 147 HD22 LEU 16 2HD2 LEU 16 -9.298 3.940 -5.364 148 HD23 LEU 16 3HD2 LEU 16 -10.699 4.082 -4.292 149 H LYS 17 H LYS 17 -10.835 6.063 -0.151 150 HA LYS 17 HA LYS 17 -10.466 8.361 -1.717 151 HB2 LYS 17 2HB LYS 17 -12.035 8.024 0.835 152 HB3 LYS 17 1HB LYS 17 -12.125 9.435 -0.205 153 HG2 LYS 17 2HG LYS 17 -12.956 8.061 -2.026 154 HG3 LYS 17 1HG LYS 17 -12.839 6.625 -1.015 155 HD2 LYS 17 2HD LYS 17 -14.464 7.609 0.538 156 HD3 LYS 17 1HD LYS 17 -14.576 9.034 -0.498 157 HE2 LYS 17 2HE LYS 17 -16.439 7.522 -0.926 158 HE3 LYS 17 1HE LYS 17 -15.383 7.630 -2.333 159 HZ1 LYS 17 1HZ LYS 17 -14.382 5.524 -1.696 160 HZ2 LYS 17 2HZ LYS 17 -16.050 5.347 -1.863 161 HZ3 LYS 17 3HZ LYS 17 -15.375 5.441 -0.335 162 H ARG 18 H ARG 18 -8.693 7.359 0.850 163 HA ARG 18 HA ARG 18 -7.766 10.119 1.409 164 HB2 ARG 18 2HB ARG 18 -7.886 7.856 3.405 165 HB3 ARG 18 1HB ARG 18 -7.244 9.465 3.718 166 HG2 ARG 18 2HG ARG 18 -9.488 10.397 3.231 167 HG3 ARG 18 1HG ARG 18 -10.089 8.753 3.055 168 HD2 ARG 18 2HD ARG 18 -9.423 8.276 5.353 169 HD3 ARG 18 1HD ARG 18 -8.859 9.942 5.531 170 HE ARG 18 HE ARG 18 -11.601 9.531 4.710 171 HH11 ARG 18 1HH1 ARG 18 -9.384 10.336 7.361 172 HH12 ARG 18 2HH1 ARG 18 -10.600 10.949 8.373 173 HH21 ARG 18 1HH2 ARG 18 -13.290 10.387 6.149 174 HH22 ARG 18 2HH2 ARG 18 -12.827 10.964 7.688 175 H ILE 19 H ILE 19 -6.894 7.679 -0.284 176 HA ILE 19 HA ILE 19 -4.118 7.547 0.666 177 HB ILE 19 HB ILE 19 -5.472 5.709 -1.351 178 HG12 ILE 19 2HG1 ILE 19 -4.758 5.130 1.501 179 HG13 ILE 19 1HG1 ILE 19 -6.406 5.504 1.020 180 HG21 ILE 19 1HG2 ILE 19 -2.837 5.500 0.142 181 HG22 ILE 19 2HG2 ILE 19 -3.010 5.819 -1.584 182 HG23 ILE 19 3HG2 ILE 19 -3.503 4.264 -0.908 183 HD11 ILE 19 1HD1 ILE 19 -6.330 3.494 -0.474 184 HD12 ILE 19 2HD1 ILE 19 -6.103 3.109 1.239 185 HD13 ILE 19 3HD1 ILE 19 -4.734 3.175 0.136 186 H LYS 20 H LYS 20 -2.534 8.309 -0.646 187 HA LYS 20 HA LYS 20 -3.353 9.750 -3.014 188 HB2 LYS 20 2HB LYS 20 -0.705 9.690 -1.565 189 HB3 LYS 20 1HB LYS 20 -1.066 10.722 -2.923 190 HG2 LYS 20 2HG LYS 20 -2.319 10.767 -0.250 191 HG3 LYS 20 1HG LYS 20 -1.241 11.979 -0.951 192 HD2 LYS 20 2HD LYS 20 -3.983 11.201 -1.775 193 HD3 LYS 20 1HD LYS 20 -3.514 12.726 -1.054 194 HE2 LYS 20 2HE LYS 20 -2.608 11.805 -3.814 195 HE3 LYS 20 1HE LYS 20 -3.824 13.032 -3.498 196 HZ1 LYS 20 1HZ LYS 20 -2.140 14.402 -2.444 197 HZ2 LYS 20 2HZ LYS 20 -1.676 14.016 -4.006 198 HZ3 LYS 20 3HZ LYS 20 -0.956 13.230 -2.714 199 H SER 21 H SER 21 -1.052 7.170 -2.067 200 HA SER 21 HA SER 21 -0.982 5.981 -4.600 201 HB2 SER 21 2HB SER 21 0.263 8.070 -5.163 202 HB3 SER 21 1HB SER 21 1.392 7.737 -3.858 203 HG SER 21 HG SER 21 0.963 6.307 -6.246 204 H TYR 22 H TYR 22 1.012 4.408 -4.559 205 HA TYR 22 HA TYR 22 1.713 3.686 -1.783 206 HB2 TYR 22 2HB TYR 22 1.393 1.327 -2.267 207 HB3 TYR 22 1HB TYR 22 -0.109 2.207 -2.470 208 HD1 TYR 22 1HD TYR 22 -1.267 2.068 -4.447 209 HD2 TYR 22 2HD TYR 22 2.724 0.677 -4.362 210 HE1 TYR 22 1HE TYR 22 -1.561 1.075 -6.667 211 HE2 TYR 22 2HE TYR 22 2.443 -0.313 -6.595 212 HH TYR 22 HH TYR 22 -0.234 0.435 -8.523 213 H THR 23 H THR 23 3.446 2.185 -1.663 214 HA THR 23 HA THR 23 5.415 2.548 -3.798 215 HB THR 23 HB THR 23 5.853 2.234 -0.814 216 HG1 THR 23 1HG THR 23 6.504 4.483 -2.380 217 HG21 THR 23 1HG2 THR 23 7.606 1.211 -2.136 218 HG22 THR 23 2HG2 THR 23 8.223 2.664 -1.332 219 HG23 THR 23 3HG2 THR 23 7.824 2.696 -3.057 220 H ILE 24 H ILE 24 6.423 0.655 -4.486 221 HA ILE 24 HA ILE 24 5.245 -1.825 -3.551 222 HB ILE 24 HB ILE 24 7.101 -1.307 -5.893 223 HG12 ILE 24 2HG1 ILE 24 4.134 -1.902 -5.818 224 HG13 ILE 24 1HG1 ILE 24 4.841 -0.326 -6.145 225 HG21 ILE 24 1HG2 ILE 24 5.633 -3.835 -5.109 226 HG22 ILE 24 2HG2 ILE 24 7.374 -3.586 -5.040 227 HG23 ILE 24 3HG2 ILE 24 6.551 -3.604 -6.599 228 HD11 ILE 24 1HD1 ILE 24 5.153 -2.800 -7.839 229 HD12 ILE 24 2HD1 ILE 24 5.860 -1.222 -8.184 230 HD13 ILE 24 3HD1 ILE 24 4.106 -1.425 -8.187 231 H GLN 25 H GLN 25 6.176 -2.651 -1.801 232 HA GLN 25 HA GLN 25 9.037 -2.595 -1.468 233 HB2 GLN 25 2HB GLN 25 7.761 -2.287 0.504 234 HB3 GLN 25 1HB GLN 25 6.743 -3.672 0.160 235 HG2 GLN 25 2HG GLN 25 8.578 -5.157 0.564 236 HG3 GLN 25 1HG GLN 25 9.643 -3.780 0.839 237 HE21 GLN 25 1HE2 GLN 25 8.732 -6.003 2.546 238 HE22 GLN 25 2HE2 GLN 25 8.159 -5.245 3.992 239 H SER 26 H SER 26 10.293 -4.092 -2.362 240 HA SER 26 HA SER 26 9.119 -6.575 -3.315 241 HB2 SER 26 2HB SER 26 11.827 -5.338 -3.851 242 HB3 SER 26 1HB SER 26 11.167 -6.769 -4.642 243 HG SER 26 HG SER 26 9.763 -5.562 -5.732 244 H ASN 27 H ASN 27 9.784 -8.622 -2.615 245 HA ASN 27 HA ASN 27 10.688 -8.977 -0.050 246 HB2 ASN 27 2HB ASN 27 9.174 -10.418 -1.303 247 HB3 ASN 27 1HB ASN 27 10.489 -10.890 -2.372 248 HD21 ASN 27 1HD2 ASN 27 9.031 -11.214 0.707 249 HD22 ASN 27 2HD2 ASN 27 9.988 -12.530 1.239 250 H GLU 28 H GLU 28 12.502 -8.662 -2.994 251 HA GLU 28 HA GLU 28 14.853 -9.976 -2.051 252 HB2 GLU 28 2HB GLU 28 14.572 -7.879 -4.177 253 HB3 GLU 28 1HB GLU 28 16.066 -8.717 -3.808 254 HG2 GLU 28 2HG GLU 28 14.938 -10.845 -4.401 255 HG3 GLU 28 1HG GLU 28 13.534 -9.904 -4.896 256 H ALA 29 H ALA 29 13.727 -6.662 -1.878 257 HA ALA 29 HA ALA 29 16.258 -5.829 -0.676 258 HB1 ALA 29 1HB ALA 29 15.432 -3.557 -0.943 259 HB2 ALA 29 2HB ALA 29 13.873 -4.175 -1.489 260 HB3 ALA 29 3HB ALA 29 15.316 -4.440 -2.466 261 H CYS 30 H CYS 30 13.107 -6.711 0.220 262 HA CYS 30 HA CYS 30 13.574 -5.663 2.919 263 HB2 CYS 30 2HB CYS 30 10.969 -5.799 1.432 264 HB3 CYS 30 1HB CYS 30 11.197 -5.218 3.070 265 H ASN 31 H ASN 31 12.219 -6.861 4.510 266 HA ASN 31 HA ASN 31 12.716 -9.588 4.507 267 HB2 ASN 31 2HB ASN 31 12.291 -8.314 6.544 268 HB3 ASN 31 1HB ASN 31 10.624 -8.053 6.052 269 HD21 ASN 31 1HD2 ASN 31 9.817 -9.047 7.905 270 HD22 ASN 31 2HD2 ASN 31 9.897 -10.749 8.128 271 H ILE 32 H ILE 32 9.758 -7.880 3.680 272 HA ILE 32 HA ILE 32 8.660 -10.324 2.477 273 HB ILE 32 HB ILE 32 6.428 -9.735 3.376 274 HG12 ILE 32 2HG1 ILE 32 7.935 -7.612 4.927 275 HG13 ILE 32 1HG1 ILE 32 6.775 -7.325 3.642 276 HG21 ILE 32 1HG2 ILE 32 8.516 -9.984 5.501 277 HG22 ILE 32 2HG2 ILE 32 7.832 -11.333 4.587 278 HG23 ILE 32 3HG2 ILE 32 6.809 -10.399 5.700 279 HD11 ILE 32 1HD1 ILE 32 6.179 -8.555 6.323 280 HD12 ILE 32 2HD1 ILE 32 5.006 -8.262 5.041 281 HD13 ILE 32 3HD1 ILE 32 5.813 -6.904 5.824 282 H LYS 33 H LYS 33 6.601 -9.592 1.218 283 HA LYS 33 HA LYS 33 7.131 -7.042 -0.101 284 HB2 LYS 33 2HB LYS 33 6.918 -9.001 -1.600 285 HB3 LYS 33 1HB LYS 33 5.333 -9.350 -0.926 286 HG2 LYS 33 2HG LYS 33 4.492 -7.216 -1.792 287 HG3 LYS 33 1HG LYS 33 6.081 -6.864 -2.455 288 HD2 LYS 33 2HD LYS 33 5.896 -8.855 -3.905 289 HD3 LYS 33 1HD LYS 33 4.287 -9.160 -3.245 290 HE2 LYS 33 2HE LYS 33 3.513 -7.007 -4.090 291 HE3 LYS 33 1HE LYS 33 5.128 -6.661 -4.708 292 HZ1 LYS 33 1HZ LYS 33 3.344 -8.859 -5.634 293 HZ2 LYS 33 2HZ LYS 33 4.894 -8.582 -6.188 294 HZ3 LYS 33 3HZ LYS 33 3.692 -7.429 -6.456 295 H ALA 34 H ALA 34 6.045 -5.402 0.851 296 HA ALA 34 HA ALA 34 3.251 -5.843 1.540 297 HB1 ALA 34 1HB ALA 34 4.517 -5.892 3.673 298 HB2 ALA 34 2HB ALA 34 3.572 -4.424 3.567 299 HB3 ALA 34 3HB ALA 34 5.301 -4.378 3.255 300 H ILE 35 H ILE 35 2.125 -4.467 0.278 301 HA ILE 35 HA ILE 35 3.451 -2.316 -1.021 302 HB ILE 35 HB ILE 35 0.506 -3.017 -0.878 303 HG12 ILE 35 2HG1 ILE 35 2.067 -4.630 -1.933 304 HG13 ILE 35 1HG1 ILE 35 0.841 -4.014 -3.068 305 HG21 ILE 35 1HG2 ILE 35 0.220 -1.453 -2.798 306 HG22 ILE 35 2HG2 ILE 35 1.910 -1.016 -2.680 307 HG23 ILE 35 3HG2 ILE 35 0.816 -0.601 -1.377 308 HD11 ILE 35 1HD1 ILE 35 2.953 -4.242 -4.105 309 HD12 ILE 35 2HD1 ILE 35 3.765 -3.292 -2.844 310 HD13 ILE 35 3HD1 ILE 35 2.620 -2.519 -3.946 311 H ILE 36 H ILE 36 3.631 -0.326 -0.442 312 HA ILE 36 HA ILE 36 2.731 0.275 2.254 313 HB ILE 36 HB ILE 36 4.946 1.413 0.551 314 HG12 ILE 36 2HG1 ILE 36 5.303 -0.173 3.018 315 HG13 ILE 36 1HG1 ILE 36 4.957 -1.044 1.516 316 HG21 ILE 36 1HG2 ILE 36 4.065 3.020 2.221 317 HG22 ILE 36 2HG2 ILE 36 5.686 2.466 2.654 318 HG23 ILE 36 3HG2 ILE 36 4.275 1.807 3.480 319 HD11 ILE 36 1HD1 ILE 36 6.940 -0.099 0.540 320 HD12 ILE 36 2HD1 ILE 36 7.322 -0.956 2.026 321 HD13 ILE 36 3HD1 ILE 36 7.288 0.823 2.016 322 H PHE 37 H PHE 37 0.994 1.401 2.237 323 HA PHE 37 HA PHE 37 0.134 3.073 0.062 324 HB2 PHE 37 2HB PHE 37 -0.976 2.123 2.659 325 HB3 PHE 37 1HB PHE 37 -1.783 3.433 1.781 326 HD1 PHE 37 1HD PHE 37 -0.110 0.618 0.182 327 HD2 PHE 37 2HD PHE 37 -3.772 2.219 1.453 328 HE1 PHE 37 1HE PHE 37 -1.327 -1.075 -1.192 329 HE2 PHE 37 2HE PHE 37 -4.997 0.568 0.116 330 HZ PHE 37 HZ PHE 37 -3.772 -1.073 -1.207 331 H THR 38 H THR 38 0.037 5.192 0.087 332 HA THR 38 HA THR 38 0.980 6.504 2.512 333 HB THR 38 HB THR 38 1.397 7.439 -0.351 334 HG1 THR 38 1HG THR 38 2.562 5.586 0.996 335 HG21 THR 38 1HG2 THR 38 1.274 9.227 1.310 336 HG22 THR 38 2HG2 THR 38 2.935 9.061 0.707 337 HG23 THR 38 3HG2 THR 38 2.482 8.415 2.292 338 H THR 39 H THR 39 -0.402 7.979 3.337 339 HA THR 39 HA THR 39 -2.970 8.218 2.038 340 HB THR 39 HB THR 39 -3.533 9.526 4.149 341 HG1 THR 39 1HG THR 39 -1.786 8.472 5.737 342 HG21 THR 39 1HG2 THR 39 -4.227 7.214 3.837 343 HG22 THR 39 2HG2 THR 39 -3.738 7.481 5.511 344 HG23 THR 39 3HG2 THR 39 -2.648 6.660 4.398 345 H LYS 40 H LYS 40 -4.035 10.472 2.299 346 HA LYS 40 HA LYS 40 -2.493 12.370 0.892 347 HB2 LYS 40 2HB LYS 40 -4.879 12.938 2.606 348 HB3 LYS 40 1HB LYS 40 -4.350 13.899 1.224 349 HG2 LYS 40 2HG LYS 40 -4.837 11.596 -0.105 350 HG3 LYS 40 1HG LYS 40 -5.768 11.292 1.317 351 HD2 LYS 40 2HD LYS 40 -7.139 13.223 1.008 352 HD3 LYS 40 1HD LYS 40 -6.103 13.742 -0.332 353 HE2 LYS 40 2HE LYS 40 -6.711 11.813 -1.618 354 HE3 LYS 40 1HE LYS 40 -7.688 11.186 -0.308 355 HZ1 LYS 40 1HZ LYS 40 -9.123 13.156 -0.506 356 HZ2 LYS 40 2HZ LYS 40 -9.071 12.264 -1.931 357 HZ3 LYS 40 3HZ LYS 40 -8.202 13.697 -1.811 358 H LYS 41 H LYS 41 -2.735 11.551 4.181 359 HA LYS 41 HA LYS 41 -1.585 13.947 5.283 360 HB2 LYS 41 2HB LYS 41 -1.776 11.134 6.408 361 HB3 LYS 41 1HB LYS 41 -1.146 12.494 7.299 362 HG2 LYS 41 2HG LYS 41 -3.368 12.065 8.059 363 HG3 LYS 41 1HG LYS 41 -3.424 13.553 7.122 364 HD2 LYS 41 2HD LYS 41 -4.319 12.297 5.211 365 HD3 LYS 41 1HD LYS 41 -4.227 10.804 6.143 366 HE2 LYS 41 2HE LYS 41 -5.912 13.216 6.826 367 HE3 LYS 41 1HE LYS 41 -6.501 11.713 6.124 368 HZ1 LYS 41 1HZ LYS 41 -5.261 12.000 8.822 369 HZ2 LYS 41 2HZ LYS 41 -5.807 10.546 8.139 370 HZ3 LYS 41 3HZ LYS 41 -6.884 11.783 8.495 371 H GLY 42 H GLY 42 -0.554 11.359 3.471 372 HA2 GLY 42 2HA GLY 42 1.455 10.989 2.501 373 HA3 GLY 42 1HA GLY 42 2.145 12.251 3.485 374 H ARG 43 H ARG 43 0.466 9.862 5.252 375 HA ARG 43 HA ARG 43 2.794 8.944 6.585 376 HB2 ARG 43 2HB ARG 43 0.570 9.306 7.597 377 HB3 ARG 43 1HB ARG 43 -0.044 8.024 6.562 378 HG2 ARG 43 2HG ARG 43 1.428 6.448 7.596 379 HG3 ARG 43 1HG ARG 43 2.046 7.723 8.663 380 HD2 ARG 43 2HD ARG 43 -0.197 7.993 9.630 381 HD3 ARG 43 1HD ARG 43 -0.814 6.734 8.557 382 HE ARG 43 HE ARG 43 1.385 5.905 10.179 383 HH11 ARG 43 1HH1 ARG 43 -2.137 6.246 10.104 384 HH12 ARG 43 2HH1 ARG 43 -2.434 5.073 11.288 385 HH21 ARG 43 1HH2 ARG 43 0.998 4.269 11.814 386 HH22 ARG 43 2HH2 ARG 43 -0.577 3.922 12.311 387 H LYS 44 H LYS 44 3.608 6.753 6.545 388 HA LYS 44 HA LYS 44 2.983 5.237 4.121 389 HB2 LYS 44 2HB LYS 44 5.277 5.008 6.089 390 HB3 LYS 44 1HB LYS 44 5.029 3.902 4.751 391 HG2 LYS 44 2HG LYS 44 5.490 6.861 4.473 392 HG3 LYS 44 1HG LYS 44 6.736 5.625 4.294 393 HD2 LYS 44 2HD LYS 44 5.470 4.631 2.438 394 HD3 LYS 44 1HD LYS 44 4.238 5.882 2.613 395 HE2 LYS 44 2HE LYS 44 5.891 7.600 2.085 396 HE3 LYS 44 1HE LYS 44 7.139 6.365 1.938 397 HZ1 LYS 44 1HZ LYS 44 5.972 5.438 0.039 398 HZ2 LYS 44 2HZ LYS 44 6.267 7.069 -0.183 399 HZ3 LYS 44 3HZ LYS 44 4.707 6.553 0.220 400 H ILE 45 H ILE 45 1.516 3.747 4.275 401 HA ILE 45 HA ILE 45 1.088 2.326 6.812 402 HB ILE 45 HB ILE 45 -0.798 2.598 4.446 403 HG12 ILE 45 2HG1 ILE 45 -2.273 3.873 6.187 404 HG13 ILE 45 1HG1 ILE 45 -0.768 4.022 7.097 405 HG21 ILE 45 1HG2 ILE 45 -1.269 1.295 7.113 406 HG22 ILE 45 2HG2 ILE 45 -1.137 0.502 5.545 407 HG23 ILE 45 3HG2 ILE 45 -2.502 1.567 5.883 408 HD11 ILE 45 1HD1 ILE 45 -1.302 5.996 5.846 409 HD12 ILE 45 2HD1 ILE 45 -1.248 5.068 4.348 410 HD13 ILE 45 3HD1 ILE 45 0.223 5.266 5.309 411 H CYS 46 H CYS 46 1.732 0.306 6.821 412 HA CYS 46 HA CYS 46 2.667 -1.013 4.401 413 HB2 CYS 46 2HB CYS 46 2.551 -2.035 7.231 414 HB3 CYS 46 1HB CYS 46 3.550 -2.669 5.947 415 H ALA 47 H ALA 47 1.155 -2.094 3.163 416 HA ALA 47 HA ALA 47 -1.028 -3.397 4.633 417 HB1 ALA 47 1HB ALA 47 -1.143 -2.158 1.890 418 HB2 ALA 47 2HB ALA 47 -1.787 -1.442 3.367 419 HB3 ALA 47 3HB ALA 47 -2.473 -2.941 2.745 420 H ASN 48 H ASN 48 -1.789 -5.411 3.876 421 HA ASN 48 HA ASN 48 0.173 -7.008 2.580 422 HB2 ASN 48 2HB ASN 48 -0.962 -7.993 4.362 423 HB3 ASN 48 1HB ASN 48 -2.547 -7.562 3.799 424 HD21 ASN 48 1HD2 ASN 48 0.126 -9.040 1.970 425 HD22 ASN 48 2HD2 ASN 48 -0.750 -10.494 1.625 426 HA PRO 49 HA PRO 49 -1.361 -5.977 -1.541 427 HB2 PRO 49 2HB PRO 49 0.257 -7.828 -2.770 428 HB3 PRO 49 1HB PRO 49 0.681 -6.139 -2.488 429 HG2 PRO 49 2HG PRO 49 1.474 -8.571 -0.986 430 HG3 PRO 49 1HG PRO 49 2.382 -7.074 -1.251 431 HD2 PRO 49 2HD PRO 49 1.229 -7.644 1.110 432 HD3 PRO 49 1HD PRO 49 1.346 -5.992 0.506 433 H ASN 50 H ASN 50 -1.247 -9.087 0.023 434 HA ASN 50 HA ASN 50 -2.700 -10.332 -2.048 435 HB2 ASN 50 2HB ASN 50 -2.041 -11.324 0.717 436 HB3 ASN 50 1HB ASN 50 -2.836 -12.238 -0.570 437 HD21 ASN 50 1HD2 ASN 50 -0.223 -12.428 0.822 438 HD22 ASN 50 2HD2 ASN 50 0.946 -12.619 -0.427 439 H GLU 51 H GLU 51 -3.642 -8.066 0.087 440 HA GLU 51 HA GLU 51 -6.201 -9.291 0.690 441 HB2 GLU 51 2HB GLU 51 -5.259 -6.527 1.421 442 HB3 GLU 51 1HB GLU 51 -6.740 -7.284 1.965 443 HG2 GLU 51 2HG GLU 51 -5.028 -9.111 2.872 444 HG3 GLU 51 1HG GLU 51 -3.953 -7.754 2.706 445 H LYS 52 H LYS 52 -8.044 -8.842 -0.218 446 HA LYS 52 HA LYS 52 -8.214 -7.980 -2.831 447 HB2 LYS 52 2HB LYS 52 -9.905 -9.382 -1.709 448 HB3 LYS 52 1HB LYS 52 -10.400 -7.998 -0.750 449 HG2 LYS 52 2HG LYS 52 -11.104 -6.836 -2.794 450 HG3 LYS 52 1HG LYS 52 -10.642 -8.245 -3.743 451 HD2 LYS 52 2HD LYS 52 -13.040 -8.259 -3.376 452 HD3 LYS 52 1HD LYS 52 -12.301 -9.590 -2.494 453 HE2 LYS 52 2HE LYS 52 -12.416 -8.306 -0.425 454 HE3 LYS 52 1HE LYS 52 -13.089 -6.931 -1.296 455 HZ1 LYS 52 1HZ LYS 52 -14.804 -8.182 -0.184 456 HZ2 LYS 52 2HZ LYS 52 -14.368 -9.595 -0.975 457 HZ3 LYS 52 3HZ LYS 52 -15.013 -8.305 -1.849 458 H TRP 53 H TRP 53 -8.725 -6.109 0.153 459 HA TRP 53 HA TRP 53 -9.774 -3.843 -1.166 460 HB2 TRP 53 2HB TRP 53 -9.539 -2.601 0.898 461 HB3 TRP 53 1HB TRP 53 -10.087 -4.217 1.293 462 HD1 TRP 53 HD TRP 53 -8.262 -5.803 2.619 463 HE1 TRP 53 1HE TRP 53 -6.229 -5.165 4.075 464 HE3 TRP 53 3HE TRP 53 -7.689 -0.940 1.163 465 HZ2 TRP 53 2HZ TRP 53 -4.630 -2.938 4.551 466 HZ3 TRP 53 3HZ TRP 53 -5.881 0.368 2.165 467 HH2 TRP 53 HH TRP 53 -4.378 -0.606 3.829 468 H VAL 54 H VAL 54 -6.551 -4.841 -0.413 469 HA VAL 54 HA VAL 54 -5.232 -2.417 -1.075 470 HB VAL 54 HB VAL 54 -4.191 -5.265 -0.894 471 HG11 VAL 54 1HG1 VAL 54 -2.635 -2.692 -1.131 472 HG12 VAL 54 2HG1 VAL 54 -2.709 -3.973 -2.339 473 HG13 VAL 54 3HG1 VAL 54 -1.940 -4.257 -0.765 474 HG21 VAL 54 1HG2 VAL 54 -3.976 -2.939 0.990 475 HG22 VAL 54 2HG2 VAL 54 -3.266 -4.533 1.229 476 HG23 VAL 54 3HG2 VAL 54 -5.022 -4.339 1.194 477 H GLN 55 H GLN 55 -5.958 -5.389 -2.735 478 HA GLN 55 HA GLN 55 -4.574 -4.800 -5.092 479 HB2 GLN 55 2HB GLN 55 -6.900 -6.652 -4.687 480 HB3 GLN 55 1HB GLN 55 -5.832 -6.643 -6.095 481 HG2 GLN 55 2HG GLN 55 -3.924 -6.959 -4.536 482 HG3 GLN 55 1HG GLN 55 -5.098 -7.210 -3.255 483 HE21 GLN 55 1HE2 GLN 55 -3.105 -8.893 -4.209 484 HE22 GLN 55 2HE2 GLN 55 -3.826 -10.324 -4.812 485 H LYS 56 H LYS 56 -7.806 -4.091 -3.975 486 HA LYS 56 HA LYS 56 -8.899 -3.051 -6.349 487 HB2 LYS 56 2HB LYS 56 -10.280 -3.687 -4.455 488 HB3 LYS 56 1HB LYS 56 -9.442 -2.550 -3.427 489 HG2 LYS 56 2HG LYS 56 -10.337 -0.707 -4.675 490 HG3 LYS 56 1HG LYS 56 -11.168 -1.828 -5.767 491 HD2 LYS 56 2HD LYS 56 -12.511 -2.664 -3.958 492 HD3 LYS 56 1HD LYS 56 -11.593 -1.712 -2.788 493 HE2 LYS 56 2HE LYS 56 -13.318 -0.592 -4.998 494 HE3 LYS 56 1HE LYS 56 -13.782 -0.710 -3.302 495 HZ1 LYS 56 1HZ LYS 56 -11.553 0.889 -4.410 496 HZ2 LYS 56 2HZ LYS 56 -11.891 0.754 -2.763 497 HZ3 LYS 56 3HZ LYS 56 -13.004 1.498 -3.807 498 H ALA 57 H ALA 57 -7.271 -1.589 -3.565 499 HA ALA 57 HA ALA 57 -7.346 1.089 -4.432 500 HB1 ALA 57 1HB ALA 57 -5.603 1.467 -2.761 501 HB2 ALA 57 2HB ALA 57 -5.387 -0.271 -2.587 502 HB3 ALA 57 3HB ALA 57 -6.918 0.492 -2.107 503 H MET 58 H MET 58 -4.853 -1.382 -4.796 504 HA MET 58 HA MET 58 -3.005 0.275 -5.924 505 HB2 MET 58 2HB MET 58 -3.246 -2.703 -6.262 506 HB3 MET 58 1HB MET 58 -1.903 -1.773 -6.908 507 HG2 MET 58 2HG MET 58 -1.522 -0.956 -4.550 508 HG3 MET 58 1HG MET 58 -2.658 -2.203 -4.037 509 HE1 MET 58 1HE MET 58 -0.700 -5.438 -5.168 510 HE2 MET 58 2HE MET 58 -1.933 -4.600 -6.120 511 HE3 MET 58 3HE MET 58 -2.173 -4.868 -4.381 512 H LYS 59 H LYS 59 -5.656 -1.374 -7.437 513 HA LYS 59 HA LYS 59 -4.802 -1.158 -10.091 514 HB2 LYS 59 2HB LYS 59 -6.552 -2.666 -9.236 515 HB3 LYS 59 1HB LYS 59 -7.574 -1.282 -8.901 516 HG2 LYS 59 2HG LYS 59 -7.607 -0.765 -11.306 517 HG3 LYS 59 1HG LYS 59 -6.625 -2.203 -11.599 518 HD2 LYS 59 2HD LYS 59 -9.387 -2.150 -10.382 519 HD3 LYS 59 1HD LYS 59 -8.974 -2.662 -12.016 520 HE2 LYS 59 2HE LYS 59 -7.585 -4.483 -11.060 521 HE3 LYS 59 1HE LYS 59 -8.075 -3.978 -9.450 522 HZ1 LYS 59 1HZ LYS 59 -9.394 -5.821 -10.177 523 HZ2 LYS 59 2HZ LYS 59 -9.861 -5.036 -11.570 524 HZ3 LYS 59 3HZ LYS 59 -10.398 -4.471 -10.073 525 H HIS 60 H HIS 60 -6.695 0.849 -7.919 526 HA HIS 60 HA HIS 60 -7.302 2.850 -9.828 527 HB2 HIS 60 2HB HIS 60 -8.792 2.493 -7.995 528 HB3 HIS 60 1HB HIS 60 -7.492 2.700 -6.832 529 HD1 HIS 60 1HD HIS 60 -9.513 4.758 -9.326 530 HD2 HIS 60 2HD HIS 60 -7.195 5.197 -5.927 531 HE1 HIS 60 1HE HIS 60 -9.734 7.168 -8.684 532 HE2 HIS 60 2HE HIS 60 -8.032 7.458 -6.874 533 H LEU 61 H LEU 61 -4.917 2.524 -7.253 534 HA LEU 61 HA LEU 61 -3.898 5.170 -7.500 535 HB2 LEU 61 2HB LEU 61 -2.731 2.739 -6.187 536 HB3 LEU 61 1HB LEU 61 -2.090 4.362 -6.031 537 HG LEU 61 HG LEU 61 -4.834 3.496 -5.122 538 HD11 LEU 61 1HD1 LEU 61 -2.315 3.988 -3.546 539 HD12 LEU 61 2HD1 LEU 61 -3.135 2.434 -3.787 540 HD13 LEU 61 3HD1 LEU 61 -3.918 3.712 -2.872 541 HD21 LEU 61 1HD2 LEU 61 -3.302 6.060 -4.697 542 HD22 LEU 61 2HD2 LEU 61 -4.847 5.656 -3.955 543 HD23 LEU 61 3HD2 LEU 61 -4.741 5.864 -5.702 544 H ASP 62 H ASP 62 -3.138 2.215 -9.178 545 HA ASP 62 HA ASP 62 -0.526 3.036 -10.020 546 HB2 ASP 62 2HB ASP 62 -1.231 0.659 -9.988 547 HB3 ASP 62 1HB ASP 62 -2.397 1.021 -11.255 548 H LYS 63 H LYS 63 -3.741 3.494 -11.165 549 HA LYS 63 HA LYS 63 -2.740 4.910 -13.456 550 HB2 LYS 63 2HB LYS 63 -5.161 4.828 -14.262 551 HB3 LYS 63 1HB LYS 63 -4.333 3.283 -14.184 552 HG2 LYS 63 2HG LYS 63 -5.440 2.805 -12.045 553 HG3 LYS 63 1HG LYS 63 -6.277 4.352 -12.144 554 HD2 LYS 63 2HD LYS 63 -7.425 3.622 -14.157 555 HD3 LYS 63 1HD LYS 63 -6.520 2.104 -14.146 556 HE2 LYS 63 2HE LYS 63 -7.541 1.489 -12.009 557 HE3 LYS 63 1HE LYS 63 -8.399 3.019 -11.960 558 HZ1 LYS 63 1HZ LYS 63 -8.784 0.922 -14.039 559 HZ2 LYS 63 2HZ LYS 63 -9.616 2.395 -13.932 560 HZ3 LYS 63 3HZ LYS 63 -9.814 1.216 -12.752 561 H LYS 64 H LYS 64 -2.094 6.649 -12.272 562 HA LYS 64 HA LYS 64 -4.262 8.273 -11.163 563 HB2 LYS 64 2HB LYS 64 -2.703 7.412 -9.433 564 HB3 LYS 64 1HB LYS 64 -1.383 8.235 -10.247 565 HG2 LYS 64 2HG LYS 64 -2.133 9.517 -8.339 566 HG3 LYS 64 1HG LYS 64 -2.508 10.390 -9.831 567 HD2 LYS 64 2HD LYS 64 -4.808 9.552 -9.725 568 HD3 LYS 64 1HD LYS 64 -4.419 8.702 -8.225 569 HE2 LYS 64 2HE LYS 64 -3.888 10.865 -7.194 570 HE3 LYS 64 1HE LYS 64 -4.340 11.664 -8.701 571 HZ1 LYS 64 1HZ LYS 64 -6.153 11.702 -7.131 572 HZ2 LYS 64 2HZ LYS 64 -6.138 10.029 -7.010 573 HZ3 LYS 64 3HZ LYS 64 -6.582 10.773 -8.455 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 16.666 5.367 12.082 2 H2 ALA 1 2HT ALA 1 15.884 4.918 13.487 3 H3 ALA 1 3HT ALA 1 15.034 5.721 12.251 4 HA ALA 1 HA ALA 1 16.247 3.047 12.061 5 HB1 ALA 1 1HB ALA 1 14.226 3.048 13.444 6 HB2 ALA 1 2HB ALA 1 13.955 2.220 11.910 7 HB3 ALA 1 3HB ALA 1 13.345 3.856 12.146 8 H ARG 2 H ARG 2 17.055 2.905 10.063 9 HA ARG 2 HA ARG 2 15.491 4.061 7.893 10 HB2 ARG 2 2HB ARG 2 17.597 3.991 6.549 11 HB3 ARG 2 1HB ARG 2 17.682 5.065 7.932 12 HG2 ARG 2 2HG ARG 2 19.037 3.478 9.126 13 HG3 ARG 2 1HG ARG 2 18.841 2.284 7.841 14 HD2 ARG 2 2HD ARG 2 20.148 4.987 7.549 15 HD3 ARG 2 1HD ARG 2 20.998 3.454 7.710 16 HE ARG 2 HE ARG 2 19.902 2.770 5.609 17 HH11 ARG 2 1HH1 ARG 2 20.226 6.252 6.251 18 HH12 ARG 2 2HH1 ARG 2 20.283 6.648 4.591 19 HH21 ARG 2 1HH2 ARG 2 19.981 3.387 3.352 20 HH22 ARG 2 2HH2 ARG 2 20.136 5.033 2.939 21 H LYS 3 H LYS 3 14.367 2.658 6.807 22 HA LYS 3 HA LYS 3 15.520 0.019 6.274 23 HB2 LYS 3 2HB LYS 3 12.695 0.368 7.310 24 HB3 LYS 3 1HB LYS 3 13.440 -1.135 6.815 25 HG2 LYS 3 2HG LYS 3 15.038 -0.923 8.677 26 HG3 LYS 3 1HG LYS 3 14.213 0.550 9.186 27 HD2 LYS 3 2HD LYS 3 12.128 -0.743 9.449 28 HD3 LYS 3 1HD LYS 3 13.007 -2.209 9.005 29 HE2 LYS 3 2HE LYS 3 13.528 -0.446 11.394 30 HE3 LYS 3 1HE LYS 3 12.800 -2.051 11.414 31 HZ1 LYS 3 1HZ LYS 3 15.107 -2.202 12.019 32 HZ2 LYS 3 2HZ LYS 3 15.587 -1.368 10.664 33 HZ3 LYS 3 3HZ LYS 3 14.948 -2.905 10.495 34 H SER 4 H SER 4 12.677 2.108 5.795 35 HA SER 4 HA SER 4 11.430 2.657 4.018 36 HB2 SER 4 2HB SER 4 13.753 1.611 2.362 37 HB3 SER 4 1HB SER 4 12.455 2.654 1.774 38 HG SER 4 HG SER 4 13.517 3.719 3.966 39 H CYS 5 H CYS 5 11.676 -0.088 5.183 40 HA CYS 5 HA CYS 5 10.036 -1.527 3.231 41 HB2 CYS 5 2HB CYS 5 12.214 -2.686 4.983 42 HB3 CYS 5 1HB CYS 5 11.090 -3.623 4.009 43 H CYS 6 H CYS 6 8.587 -3.025 4.294 44 HA CYS 6 HA CYS 6 8.013 -2.343 7.070 45 HB2 CYS 6 2HB CYS 6 6.313 -3.238 4.784 46 HB3 CYS 6 1HB CYS 6 5.728 -3.101 6.439 47 H LEU 7 H LEU 7 7.639 -4.012 8.439 48 HA LEU 7 HA LEU 7 8.293 -6.719 7.483 49 HB2 LEU 7 2HB LEU 7 8.530 -5.573 10.265 50 HB3 LEU 7 1HB LEU 7 9.057 -7.160 9.750 51 HG LEU 7 HG LEU 7 10.254 -4.521 8.908 52 HD11 LEU 7 1HD1 LEU 7 11.321 -6.710 10.670 53 HD12 LEU 7 2HD1 LEU 7 10.798 -5.107 11.185 54 HD13 LEU 7 3HD1 LEU 7 12.211 -5.279 10.145 55 HD21 LEU 7 1HD2 LEU 7 11.049 -7.336 8.162 56 HD22 LEU 7 2HD2 LEU 7 11.974 -5.879 7.799 57 HD23 LEU 7 3HD2 LEU 7 10.383 -6.113 7.080 58 H LYS 8 H LYS 8 5.781 -4.777 8.360 59 HA LYS 8 HA LYS 8 4.154 -6.996 9.255 60 HB2 LYS 8 2HB LYS 8 3.070 -5.525 10.823 61 HB3 LYS 8 1HB LYS 8 4.783 -5.669 11.218 62 HG2 LYS 8 2HG LYS 8 5.142 -3.477 10.076 63 HG3 LYS 8 1HG LYS 8 3.401 -3.346 9.866 64 HD2 LYS 8 2HD LYS 8 4.071 -2.058 11.805 65 HD3 LYS 8 1HD LYS 8 3.139 -3.462 12.332 66 HE2 LYS 8 2HE LYS 8 5.198 -4.638 12.897 67 HE3 LYS 8 1HE LYS 8 6.154 -3.283 12.307 68 HZ1 LYS 8 1HZ LYS 8 4.292 -3.261 14.606 69 HZ2 LYS 8 2HZ LYS 8 5.154 -1.916 14.038 70 HZ3 LYS 8 3HZ LYS 8 5.984 -3.255 14.664 71 H TYR 9 H TYR 9 1.851 -6.454 8.905 72 HA TYR 9 HA TYR 9 1.424 -4.509 6.745 73 HB2 TYR 9 2HB TYR 9 -0.358 -6.951 7.150 74 HB3 TYR 9 1HB TYR 9 -0.179 -5.906 5.797 75 HD1 TYR 9 1HD TYR 9 1.427 -6.255 4.111 76 HD2 TYR 9 2HD TYR 9 1.400 -8.710 7.565 77 HE1 TYR 9 1HE TYR 9 2.901 -7.869 2.972 78 HE2 TYR 9 2HE TYR 9 2.871 -10.322 6.453 79 HH TYR 9 HH TYR 9 4.448 -9.633 3.486 80 H THR 10 H THR 10 -0.623 -3.432 6.944 81 HA THR 10 HA THR 10 -1.388 -2.897 9.587 82 HB THR 10 HB THR 10 -1.534 -1.105 7.956 83 HG1 THR 10 1HG THR 10 -4.162 -1.042 8.149 84 HG21 THR 10 1HG2 THR 10 -3.207 -1.125 6.136 85 HG22 THR 10 2HG2 THR 10 -3.598 -2.808 6.534 86 HG23 THR 10 3HG2 THR 10 -1.985 -2.379 5.958 87 H LYS 11 H LYS 11 -3.165 -3.513 10.708 88 HA LYS 11 HA LYS 11 -4.624 -5.789 9.630 89 HB2 LYS 11 2HB LYS 11 -3.509 -5.852 11.902 90 HB3 LYS 11 1HB LYS 11 -4.652 -4.635 12.430 91 HG2 LYS 11 2HG LYS 11 -6.491 -6.169 12.113 92 HG3 LYS 11 1HG LYS 11 -5.395 -7.388 11.457 93 HD2 LYS 11 2HD LYS 11 -4.173 -7.389 13.608 94 HD3 LYS 11 1HD LYS 11 -5.354 -6.252 14.253 95 HE2 LYS 11 2HE LYS 11 -7.130 -7.885 13.891 96 HE3 LYS 11 1HE LYS 11 -5.957 -9.014 13.217 97 HZ1 LYS 11 1HZ LYS 11 -4.826 -9.066 15.354 98 HZ2 LYS 11 2HZ LYS 11 -6.423 -9.520 15.540 99 HZ3 LYS 11 3HZ LYS 11 -5.934 -7.975 16.001 100 H ARG 12 H ARG 12 -4.865 -2.519 9.716 101 HA ARG 12 HA ARG 12 -7.805 -2.524 9.765 102 HB2 ARG 12 2HB ARG 12 -6.694 -1.080 11.473 103 HB3 ARG 12 1HB ARG 12 -5.926 -0.186 10.170 104 HG2 ARG 12 2HG ARG 12 -7.804 1.091 10.863 105 HG3 ARG 12 1HG ARG 12 -8.241 0.352 9.321 106 HD2 ARG 12 2HD ARG 12 -10.096 0.148 10.865 107 HD3 ARG 12 1HD ARG 12 -9.413 -1.456 10.572 108 HE ARG 12 HE ARG 12 -8.330 -0.055 12.831 109 HH11 ARG 12 1HH1 ARG 12 -10.765 -2.440 11.804 110 HH12 ARG 12 2HH1 ARG 12 -11.024 -3.010 13.386 111 HH21 ARG 12 1HH2 ARG 12 -8.724 -0.878 14.968 112 HH22 ARG 12 2HH2 ARG 12 -9.831 -2.121 15.216 113 HA PRO 13 HA PRO 13 -7.131 -1.705 5.318 114 HB2 PRO 13 2HB PRO 13 -10.083 -1.488 5.424 115 HB3 PRO 13 1HB PRO 13 -9.073 -2.498 4.380 116 HG2 PRO 13 2HG PRO 13 -10.482 -3.562 6.380 117 HG3 PRO 13 1HG PRO 13 -8.861 -4.163 5.980 118 HD2 PRO 13 2HD PRO 13 -9.720 -2.361 8.210 119 HD3 PRO 13 1HD PRO 13 -8.532 -3.691 8.188 120 H LEU 14 H LEU 14 -7.047 0.245 4.288 121 HA LEU 14 HA LEU 14 -8.004 2.644 5.663 122 HB2 LEU 14 2HB LEU 14 -6.378 2.294 3.157 123 HB3 LEU 14 1HB LEU 14 -6.766 3.821 3.899 124 HG LEU 14 HG LEU 14 -5.008 1.689 5.107 125 HD11 LEU 14 1HD1 LEU 14 -4.087 2.722 3.096 126 HD12 LEU 14 2HD1 LEU 14 -3.200 3.251 4.521 127 HD13 LEU 14 3HD1 LEU 14 -4.395 4.319 3.762 128 HD21 LEU 14 1HD2 LEU 14 -6.139 3.088 6.790 129 HD22 LEU 14 2HD2 LEU 14 -5.595 4.533 5.936 130 HD23 LEU 14 3HD2 LEU 14 -4.415 3.468 6.693 131 HA PRO 15 HA PRO 15 -11.095 3.094 2.377 132 HB2 PRO 15 2HB PRO 15 -11.034 5.984 2.778 133 HB3 PRO 15 1HB PRO 15 -12.350 4.864 3.140 134 HG2 PRO 15 2HG PRO 15 -10.936 6.147 5.074 135 HG3 PRO 15 1HG PRO 15 -11.654 4.544 5.310 136 HD2 PRO 15 2HD PRO 15 -8.819 5.282 4.690 137 HD3 PRO 15 1HD PRO 15 -9.449 4.054 5.811 138 H LEU 16 H LEU 16 -10.695 3.391 0.255 139 HA LEU 16 HA LEU 16 -8.137 4.173 -0.579 140 HB2 LEU 16 2HB LEU 16 -9.253 2.522 -1.820 141 HB3 LEU 16 1HB LEU 16 -10.607 3.638 -2.157 142 HG LEU 16 HG LEU 16 -9.021 4.926 -3.542 143 HD11 LEU 16 1HD1 LEU 16 -6.877 3.834 -4.151 144 HD12 LEU 16 2HD1 LEU 16 -7.168 2.648 -2.887 145 HD13 LEU 16 3HD1 LEU 16 -6.935 4.350 -2.470 146 HD21 LEU 16 1HD2 LEU 16 -9.284 2.022 -4.164 147 HD22 LEU 16 2HD2 LEU 16 -8.956 3.336 -5.330 148 HD23 LEU 16 3HD2 LEU 16 -10.480 3.308 -4.435 149 H LYS 17 H LYS 17 -11.081 5.883 -0.328 150 HA LYS 17 HA LYS 17 -10.599 8.090 -1.977 151 HB2 LYS 17 2HB LYS 17 -11.988 8.152 0.701 152 HB3 LYS 17 1HB LYS 17 -12.161 9.336 -0.581 153 HG2 LYS 17 2HG LYS 17 -13.106 6.478 -0.597 154 HG3 LYS 17 1HG LYS 17 -14.096 7.923 -0.484 155 HD2 LYS 17 2HD LYS 17 -13.415 8.582 -2.728 156 HD3 LYS 17 1HD LYS 17 -12.397 7.141 -2.857 157 HE2 LYS 17 2HE LYS 17 -14.424 5.748 -2.521 158 HE3 LYS 17 1HE LYS 17 -15.392 7.214 -2.517 159 HZ1 LYS 17 1HZ LYS 17 -13.732 6.269 -4.795 160 HZ2 LYS 17 2HZ LYS 17 -14.733 7.647 -4.780 161 HZ3 LYS 17 3HZ LYS 17 -15.402 6.113 -4.637 162 H ARG 18 H ARG 18 -8.802 7.101 0.659 163 HA ARG 18 HA ARG 18 -7.810 9.866 1.173 164 HB2 ARG 18 2HB ARG 18 -8.000 7.590 3.123 165 HB3 ARG 18 1HB ARG 18 -7.101 9.063 3.425 166 HG2 ARG 18 2HG ARG 18 -9.190 10.343 3.225 167 HG3 ARG 18 1HG ARG 18 -10.066 8.822 2.987 168 HD2 ARG 18 2HD ARG 18 -9.362 8.029 5.143 169 HD3 ARG 18 1HD ARG 18 -8.357 9.454 5.383 170 HE ARG 18 HE ARG 18 -11.078 10.121 4.939 171 HH11 ARG 18 1HH1 ARG 18 -8.827 8.929 7.384 172 HH12 ARG 18 2HH1 ARG 18 -9.703 9.555 8.701 173 HH21 ARG 18 1HH2 ARG 18 -12.283 10.979 6.751 174 HH22 ARG 18 2HH2 ARG 18 -11.710 10.741 8.342 175 H ILE 19 H ILE 19 -6.868 7.456 -0.555 176 HA ILE 19 HA ILE 19 -4.140 7.412 0.534 177 HB ILE 19 HB ILE 19 -5.335 5.500 -1.507 178 HG12 ILE 19 2HG1 ILE 19 -4.764 4.983 1.396 179 HG13 ILE 19 1HG1 ILE 19 -6.374 5.451 0.829 180 HG21 ILE 19 1HG2 ILE 19 -2.788 5.403 0.155 181 HG22 ILE 19 2HG2 ILE 19 -2.872 5.683 -1.583 182 HG23 ILE 19 3HG2 ILE 19 -3.342 4.125 -0.908 183 HD11 ILE 19 1HD1 ILE 19 -6.435 3.436 -0.563 184 HD12 ILE 19 2HD1 ILE 19 -6.165 3.023 1.128 185 HD13 ILE 19 3HD1 ILE 19 -4.838 3.022 -0.060 186 H LYS 20 H LYS 20 -2.516 8.300 -0.597 187 HA LYS 20 HA LYS 20 -3.156 9.758 -3.000 188 HB2 LYS 20 2HB LYS 20 -0.551 9.672 -1.445 189 HB3 LYS 20 1HB LYS 20 -0.932 10.778 -2.744 190 HG2 LYS 20 2HG LYS 20 -2.239 10.640 -0.095 191 HG3 LYS 20 1HG LYS 20 -1.113 11.868 -0.680 192 HD2 LYS 20 2HD LYS 20 -3.847 11.236 -1.706 193 HD3 LYS 20 1HD LYS 20 -3.428 12.626 -0.759 194 HE2 LYS 20 2HE LYS 20 -2.307 12.141 -3.538 195 HE3 LYS 20 1HE LYS 20 -3.580 13.287 -3.134 196 HZ1 LYS 20 1HZ LYS 20 -1.939 14.427 -1.648 197 HZ2 LYS 20 2HZ LYS 20 -1.487 14.440 -3.274 198 HZ3 LYS 20 3HZ LYS 20 -0.751 13.384 -2.221 199 H SER 21 H SER 21 -0.912 7.166 -1.955 200 HA SER 21 HA SER 21 -0.700 5.977 -4.475 201 HB2 SER 21 2HB SER 21 1.709 6.553 -4.912 202 HB3 SER 21 1HB SER 21 0.596 7.897 -5.153 203 HG SER 21 HG SER 21 1.558 8.942 -3.627 204 H TYR 22 H TYR 22 1.288 4.431 -4.439 205 HA TYR 22 HA TYR 22 1.919 3.628 -1.689 206 HB2 TYR 22 2HB TYR 22 1.539 1.315 -2.222 207 HB3 TYR 22 1HB TYR 22 0.068 2.235 -2.435 208 HD1 TYR 22 1HD TYR 22 -1.107 2.082 -4.393 209 HD2 TYR 22 2HD TYR 22 2.904 0.755 -4.412 210 HE1 TYR 22 1HE TYR 22 -1.417 1.169 -6.637 211 HE2 TYR 22 2HE TYR 22 2.602 -0.152 -6.683 212 HH TYR 22 HH TYR 22 -0.112 0.614 -8.568 213 H THR 23 H THR 23 3.620 2.041 -1.628 214 HA THR 23 HA THR 23 5.593 2.343 -3.785 215 HB THR 23 HB THR 23 6.060 1.838 -0.835 216 HG1 THR 23 1HG THR 23 5.868 4.134 -2.345 217 HG21 THR 23 1HG2 THR 23 7.731 0.803 -2.261 218 HG22 THR 23 2HG2 THR 23 8.441 2.158 -1.371 219 HG23 THR 23 3HG2 THR 23 8.021 2.338 -3.083 220 H ILE 24 H ILE 24 6.331 0.416 -4.644 221 HA ILE 24 HA ILE 24 5.046 -2.012 -3.733 222 HB ILE 24 HB ILE 24 6.868 -1.555 -6.116 223 HG12 ILE 24 2HG1 ILE 24 3.859 -1.810 -5.965 224 HG13 ILE 24 1HG1 ILE 24 4.745 -0.315 -6.245 225 HG21 ILE 24 1HG2 ILE 24 5.132 -3.931 -5.408 226 HG22 ILE 24 2HG2 ILE 24 6.896 -3.889 -5.375 227 HG23 ILE 24 3HG2 ILE 24 6.035 -3.738 -6.907 228 HD11 ILE 24 1HD1 ILE 24 4.698 -2.714 -8.066 229 HD12 ILE 24 2HD1 ILE 24 5.585 -1.217 -8.355 230 HD13 ILE 24 3HD1 ILE 24 3.825 -1.201 -8.312 231 H GLN 25 H GLN 25 6.001 -2.896 -2.029 232 HA GLN 25 HA GLN 25 8.900 -3.041 -1.891 233 HB2 GLN 25 2HB GLN 25 7.944 -2.399 0.165 234 HB3 GLN 25 1HB GLN 25 6.697 -3.622 0.096 235 HG2 GLN 25 2HG GLN 25 8.384 -5.346 0.411 236 HG3 GLN 25 1HG GLN 25 9.618 -4.092 0.512 237 HE21 GLN 25 1HE2 GLN 25 8.620 -6.099 2.435 238 HE22 GLN 25 2HE2 GLN 25 8.240 -5.219 3.864 239 H SER 26 H SER 26 9.882 -4.728 -2.689 240 HA SER 26 HA SER 26 8.423 -7.227 -3.055 241 HB2 SER 26 2HB SER 26 9.525 -6.261 -5.051 242 HB3 SER 26 1HB SER 26 11.067 -6.262 -4.197 243 HG SER 26 HG SER 26 10.928 -8.059 -5.527 244 H ASN 27 H ASN 27 9.478 -9.215 -2.336 245 HA ASN 27 HA ASN 27 10.864 -8.804 0.159 246 HB2 ASN 27 2HB ASN 27 10.746 -11.247 0.505 247 HB3 ASN 27 1HB ASN 27 9.175 -10.568 0.092 248 HD21 ASN 27 1HD2 ASN 27 8.176 -11.213 -1.769 249 HD22 ASN 27 2HD2 ASN 27 8.802 -12.453 -2.774 250 H GLU 28 H GLU 28 11.922 -8.685 -2.795 251 HA GLU 28 HA GLU 28 14.320 -10.210 -2.711 252 HB2 GLU 28 2HB GLU 28 13.584 -7.767 -4.299 253 HB3 GLU 28 1HB GLU 28 14.981 -8.793 -4.594 254 HG2 GLU 28 2HG GLU 28 13.566 -10.645 -5.157 255 HG3 GLU 28 1HG GLU 28 12.129 -9.733 -4.707 256 H ALA 29 H ALA 29 13.548 -6.785 -2.062 257 HA ALA 29 HA ALA 29 16.256 -6.414 -0.973 258 HB1 ALA 29 1HB ALA 29 15.883 -4.019 -1.231 259 HB2 ALA 29 2HB ALA 29 14.236 -4.323 -1.778 260 HB3 ALA 29 3HB ALA 29 15.605 -4.865 -2.752 261 H CYS 30 H CYS 30 12.977 -6.618 -0.080 262 HA CYS 30 HA CYS 30 13.618 -5.701 2.637 263 HB2 CYS 30 2HB CYS 30 10.956 -5.865 1.235 264 HB3 CYS 30 1HB CYS 30 11.232 -5.258 2.860 265 H ASN 31 H ASN 31 12.449 -7.044 4.333 266 HA ASN 31 HA ASN 31 12.981 -9.768 3.808 267 HB2 ASN 31 2HB ASN 31 11.569 -8.526 6.175 268 HB3 ASN 31 1HB ASN 31 11.955 -10.237 6.058 269 HD21 ASN 31 1HD2 ASN 31 12.857 -8.332 8.006 270 HD22 ASN 31 2HD2 ASN 31 14.584 -8.293 7.908 271 H ILE 32 H ILE 32 9.973 -8.010 3.712 272 HA ILE 32 HA ILE 32 8.715 -10.467 2.674 273 HB ILE 32 HB ILE 32 6.580 -9.878 3.723 274 HG12 ILE 32 2HG1 ILE 32 8.074 -7.586 5.021 275 HG13 ILE 32 1HG1 ILE 32 6.902 -7.425 3.721 276 HG21 ILE 32 1HG2 ILE 32 8.836 -9.850 5.684 277 HG22 ILE 32 2HG2 ILE 32 8.087 -11.305 5.012 278 HG23 ILE 32 3HG2 ILE 32 7.157 -10.237 6.086 279 HD11 ILE 32 1HD1 ILE 32 6.338 -8.464 6.488 280 HD12 ILE 32 2HD1 ILE 32 5.158 -8.290 5.188 281 HD13 ILE 32 3HD1 ILE 32 5.932 -6.859 5.872 282 H LYS 33 H LYS 33 6.558 -9.775 1.520 283 HA LYS 33 HA LYS 33 7.109 -7.351 0.002 284 HB2 LYS 33 2HB LYS 33 6.796 -9.411 -1.326 285 HB3 LYS 33 1HB LYS 33 5.221 -9.654 -0.581 286 HG2 LYS 33 2HG LYS 33 4.417 -7.584 -1.586 287 HG3 LYS 33 1HG LYS 33 5.999 -7.322 -2.304 288 HD2 LYS 33 2HD LYS 33 5.777 -9.389 -3.567 289 HD3 LYS 33 1HD LYS 33 4.174 -9.647 -2.874 290 HE2 LYS 33 2HE LYS 33 3.420 -7.519 -3.852 291 HE3 LYS 33 1HE LYS 33 5.013 -7.284 -4.564 292 HZ1 LYS 33 1HZ LYS 33 3.141 -9.500 -5.173 293 HZ2 LYS 33 2HZ LYS 33 4.677 -9.276 -5.878 294 HZ3 LYS 33 3HZ LYS 33 3.460 -8.166 -6.157 295 H ALA 34 H ALA 34 6.079 -5.608 0.767 296 HA ALA 34 HA ALA 34 3.304 -5.844 1.597 297 HB1 ALA 34 1HB ALA 34 4.589 -5.995 3.706 298 HB2 ALA 34 2HB ALA 34 3.710 -4.479 3.624 299 HB3 ALA 34 3HB ALA 34 5.437 -4.510 3.295 300 H ILE 35 H ILE 35 2.306 -4.449 0.276 301 HA ILE 35 HA ILE 35 3.648 -2.293 -1.037 302 HB ILE 35 HB ILE 35 0.665 -2.765 -0.685 303 HG12 ILE 35 2HG1 ILE 35 1.804 -4.627 -1.791 304 HG13 ILE 35 1HG1 ILE 35 0.712 -3.797 -2.902 305 HG21 ILE 35 1HG2 ILE 35 0.390 -1.311 -2.696 306 HG22 ILE 35 2HG2 ILE 35 2.108 -0.981 -2.657 307 HG23 ILE 35 3HG2 ILE 35 1.087 -0.463 -1.325 308 HD11 ILE 35 1HD1 ILE 35 2.686 -4.412 -4.021 309 HD12 ILE 35 2HD1 ILE 35 3.726 -3.643 -2.804 310 HD13 ILE 35 3HD1 ILE 35 2.691 -2.664 -3.863 311 H ILE 36 H ILE 36 4.031 -0.248 -0.301 312 HA ILE 36 HA ILE 36 2.928 0.375 2.330 313 HB ILE 36 HB ILE 36 5.090 1.922 0.847 314 HG12 ILE 36 2HG1 ILE 36 6.603 0.977 2.726 315 HG13 ILE 36 1HG1 ILE 36 5.350 -0.239 2.924 316 HG21 ILE 36 1HG2 ILE 36 3.936 3.300 2.408 317 HG22 ILE 36 2HG2 ILE 36 5.577 2.936 2.959 318 HG23 ILE 36 3HG2 ILE 36 4.197 2.097 3.687 319 HD11 ILE 36 1HD1 ILE 36 5.664 -0.906 0.614 320 HD12 ILE 36 2HD1 ILE 36 7.153 -1.029 1.570 321 HD13 ILE 36 3HD1 ILE 36 6.918 0.336 0.465 322 H PHE 37 H PHE 37 1.146 1.402 2.302 323 HA PHE 37 HA PHE 37 0.249 3.058 0.134 324 HB2 PHE 37 2HB PHE 37 -0.880 2.044 2.703 325 HB3 PHE 37 1HB PHE 37 -1.681 3.346 1.832 326 HD1 PHE 37 1HD PHE 37 -0.002 0.283 0.549 327 HD2 PHE 37 2HD PHE 37 -3.557 2.434 1.105 328 HE1 PHE 37 1HE PHE 37 -1.241 -1.387 -0.857 329 HE2 PHE 37 2HE PHE 37 -4.796 0.801 -0.276 330 HZ PHE 37 HZ PHE 37 -3.622 -1.098 -1.244 331 H THR 38 H THR 38 0.022 5.194 0.218 332 HA THR 38 HA THR 38 0.827 6.517 2.704 333 HB THR 38 HB THR 38 1.220 7.582 -0.102 334 HG1 THR 38 1HG THR 38 2.549 5.749 1.274 335 HG21 THR 38 1HG2 THR 38 1.006 9.268 1.606 336 HG22 THR 38 2HG2 THR 38 2.703 9.199 1.091 337 HG23 THR 38 3HG2 THR 38 2.182 8.453 2.614 338 H THR 39 H THR 39 -0.670 7.924 3.507 339 HA THR 39 HA THR 39 -3.166 8.079 2.064 340 HB THR 39 HB THR 39 -3.931 9.280 4.159 341 HG1 THR 39 1HG THR 39 -2.523 8.812 5.991 342 HG21 THR 39 1HG2 THR 39 -4.441 6.920 3.794 343 HG22 THR 39 2HG2 THR 39 -4.059 7.200 5.492 344 HG23 THR 39 3HG2 THR 39 -2.863 6.464 4.429 345 H LYS 40 H LYS 40 -4.309 10.302 2.315 346 HA LYS 40 HA LYS 40 -2.751 12.231 0.998 347 HB2 LYS 40 2HB LYS 40 -5.286 12.685 2.515 348 HB3 LYS 40 1HB LYS 40 -4.684 13.707 1.214 349 HG2 LYS 40 2HG LYS 40 -4.957 11.422 -0.208 350 HG3 LYS 40 1HG LYS 40 -6.001 11.056 1.119 351 HD2 LYS 40 2HD LYS 40 -7.413 12.917 0.736 352 HD3 LYS 40 1HD LYS 40 -6.277 13.564 -0.459 353 HE2 LYS 40 2HE LYS 40 -6.668 11.651 -1.898 354 HE3 LYS 40 1HE LYS 40 -7.778 10.968 -0.718 355 HZ1 LYS 40 1HZ LYS 40 -9.230 12.890 -1.036 356 HZ2 LYS 40 2HZ LYS 40 -8.939 12.083 -2.495 357 HZ3 LYS 40 3HZ LYS 40 -8.144 13.522 -2.166 358 H LYS 41 H LYS 41 -3.124 11.473 4.290 359 HA LYS 41 HA LYS 41 -2.067 13.953 5.312 360 HB2 LYS 41 2HB LYS 41 -2.361 11.216 6.560 361 HB3 LYS 41 1HB LYS 41 -1.794 12.609 7.432 362 HG2 LYS 41 2HG LYS 41 -4.402 12.239 6.165 363 HG3 LYS 41 1HG LYS 41 -4.114 12.138 7.903 364 HD2 LYS 41 2HD LYS 41 -3.871 14.608 6.139 365 HD3 LYS 41 1HD LYS 41 -5.101 14.314 7.360 366 HE2 LYS 41 2HE LYS 41 -3.335 14.315 9.103 367 HE3 LYS 41 1HE LYS 41 -2.141 14.646 7.863 368 HZ1 LYS 41 1HZ LYS 41 -3.187 16.757 7.409 369 HZ2 LYS 41 2HZ LYS 41 -2.847 16.645 9.051 370 HZ3 LYS 41 3HZ LYS 41 -4.424 16.422 8.511 371 H GLY 42 H GLY 42 -0.928 11.378 3.629 372 HA2 GLY 42 2HA GLY 42 1.136 10.997 2.811 373 HA3 GLY 42 1HA GLY 42 1.754 12.270 3.826 374 H ARG 43 H ARG 43 -0.033 9.915 5.555 375 HA ARG 43 HA ARG 43 2.208 8.981 6.970 376 HB2 ARG 43 2HB ARG 43 -0.010 9.174 7.960 377 HB3 ARG 43 1HB ARG 43 -0.622 8.054 6.737 378 HG2 ARG 43 2HG ARG 43 0.748 6.305 7.594 379 HG3 ARG 43 1HG ARG 43 1.418 7.397 8.814 380 HD2 ARG 43 2HD ARG 43 -1.503 6.610 8.619 381 HD3 ARG 43 1HD ARG 43 -0.347 5.831 9.692 382 HE ARG 43 HE ARG 43 -0.468 8.664 10.054 383 HH11 ARG 43 1HH1 ARG 43 -2.034 5.599 10.962 384 HH12 ARG 43 2HH1 ARG 43 -2.613 6.203 12.443 385 HH21 ARG 43 1HH2 ARG 43 -1.261 9.441 12.068 386 HH22 ARG 43 2HH2 ARG 43 -2.178 8.445 13.101 387 H LYS 44 H LYS 44 3.194 6.938 6.826 388 HA LYS 44 HA LYS 44 2.723 5.436 4.375 389 HB2 LYS 44 2HB LYS 44 4.910 5.208 6.466 390 HB3 LYS 44 1HB LYS 44 4.809 4.226 5.020 391 HG2 LYS 44 2HG LYS 44 5.194 7.220 5.085 392 HG3 LYS 44 1HG LYS 44 6.444 6.017 4.775 393 HD2 LYS 44 2HD LYS 44 5.201 5.266 2.779 394 HD3 LYS 44 1HD LYS 44 3.989 6.507 3.081 395 HE2 LYS 44 2HE LYS 44 5.550 7.239 1.371 396 HE3 LYS 44 1HE LYS 44 5.714 8.238 2.812 397 HZ1 LYS 44 1HZ LYS 44 7.472 5.978 2.065 398 HZ2 LYS 44 2HZ LYS 44 7.698 6.953 3.420 399 HZ3 LYS 44 3HZ LYS 44 7.855 7.594 1.866 400 H ILE 45 H ILE 45 1.467 3.733 4.417 401 HA ILE 45 HA ILE 45 1.007 2.321 6.964 402 HB ILE 45 HB ILE 45 -0.929 2.479 4.621 403 HG12 ILE 45 2HG1 ILE 45 -2.431 3.802 6.242 404 HG13 ILE 45 1HG1 ILE 45 -0.977 4.034 7.224 405 HG21 ILE 45 1HG2 ILE 45 -1.292 1.336 7.374 406 HG22 ILE 45 2HG2 ILE 45 -1.150 0.441 5.861 407 HG23 ILE 45 3HG2 ILE 45 -2.553 1.468 6.147 408 HD11 ILE 45 1HD1 ILE 45 -1.503 5.934 5.883 409 HD12 ILE 45 2HD1 ILE 45 -1.427 4.947 4.419 410 HD13 ILE 45 3HD1 ILE 45 0.032 5.222 5.376 411 H CYS 46 H CYS 46 1.719 0.281 6.894 412 HA CYS 46 HA CYS 46 2.668 -0.851 4.381 413 HB2 CYS 46 2HB CYS 46 2.667 -1.954 7.186 414 HB3 CYS 46 1HB CYS 46 3.617 -2.580 5.851 415 H ALA 47 H ALA 47 1.193 -1.974 3.111 416 HA ALA 47 HA ALA 47 -0.927 -3.351 4.608 417 HB1 ALA 47 1HB ALA 47 -1.150 -2.090 1.884 418 HB2 ALA 47 2HB ALA 47 -1.775 -1.406 3.381 419 HB3 ALA 47 3HB ALA 47 -2.435 -2.919 2.764 420 H ASN 48 H ASN 48 -1.609 -5.384 3.940 421 HA ASN 48 HA ASN 48 0.327 -6.866 2.594 422 HB2 ASN 48 2HB ASN 48 -0.708 -8.005 4.322 423 HB3 ASN 48 1HB ASN 48 -2.305 -7.505 3.847 424 HD21 ASN 48 1HD2 ASN 48 0.344 -9.582 2.787 425 HD22 ASN 48 2HD2 ASN 48 -0.767 -10.620 1.892 426 HA PRO 49 HA PRO 49 -0.899 -6.088 -1.564 427 HB2 PRO 49 2HB PRO 49 0.771 -8.425 -2.131 428 HB3 PRO 49 1HB PRO 49 0.957 -6.766 -2.692 429 HG2 PRO 49 2HG PRO 49 2.530 -7.993 -0.826 430 HG3 PRO 49 1HG PRO 49 2.350 -6.246 -0.943 431 HD2 PRO 49 2HD PRO 49 1.290 -8.114 1.055 432 HD3 PRO 49 1HD PRO 49 1.514 -6.363 1.136 433 H ASN 50 H ASN 50 -1.199 -9.032 0.195 434 HA ASN 50 HA ASN 50 -2.641 -10.250 -1.906 435 HB2 ASN 50 2HB ASN 50 -1.904 -11.344 0.789 436 HB3 ASN 50 1HB ASN 50 -3.044 -12.147 -0.291 437 HD21 ASN 50 1HD2 ASN 50 0.376 -11.215 0.084 438 HD22 ASN 50 2HD2 ASN 50 0.917 -12.242 -1.169 439 H GLU 51 H GLU 51 -3.538 -7.946 0.135 440 HA GLU 51 HA GLU 51 -6.118 -9.019 0.894 441 HB2 GLU 51 2HB GLU 51 -5.110 -6.194 1.256 442 HB3 GLU 51 1HB GLU 51 -6.550 -6.889 1.975 443 HG2 GLU 51 2HG GLU 51 -4.849 -8.591 3.085 444 HG3 GLU 51 1HG GLU 51 -3.732 -7.431 2.469 445 H LYS 52 H LYS 52 -7.986 -8.649 -0.034 446 HA LYS 52 HA LYS 52 -8.159 -8.009 -2.717 447 HB2 LYS 52 2HB LYS 52 -9.823 -9.343 -1.490 448 HB3 LYS 52 1HB LYS 52 -10.342 -7.897 -0.641 449 HG2 LYS 52 2HG LYS 52 -11.125 -6.915 -2.693 450 HG3 LYS 52 1HG LYS 52 -10.525 -8.289 -3.617 451 HD2 LYS 52 2HD LYS 52 -12.063 -9.759 -2.350 452 HD3 LYS 52 1HD LYS 52 -12.683 -8.338 -1.514 453 HE2 LYS 52 2HE LYS 52 -14.143 -8.982 -3.355 454 HE3 LYS 52 1HE LYS 52 -13.423 -7.396 -3.630 455 HZ1 LYS 52 1HZ LYS 52 -13.386 -8.752 -5.621 456 HZ2 LYS 52 2HZ LYS 52 -12.470 -9.941 -4.855 457 HZ3 LYS 52 3HZ LYS 52 -11.820 -8.421 -5.119 458 H TRP 53 H TRP 53 -8.647 -5.897 0.091 459 HA TRP 53 HA TRP 53 -9.669 -3.745 -1.438 460 HB2 TRP 53 2HB TRP 53 -9.415 -2.349 0.530 461 HB3 TRP 53 1HB TRP 53 -10.045 -3.912 1.011 462 HD1 TRP 53 HD TRP 53 -8.218 -5.547 2.426 463 HE1 TRP 53 1HE TRP 53 -6.311 -4.877 3.921 464 HE3 TRP 53 3HE TRP 53 -7.607 -0.694 0.863 465 HZ2 TRP 53 2HZ TRP 53 -4.697 -2.627 4.417 466 HZ3 TRP 53 3HZ TRP 53 -5.832 0.636 1.914 467 HH2 TRP 53 HH TRP 53 -4.409 -0.306 3.656 468 H VAL 54 H VAL 54 -6.509 -4.866 -0.749 469 HA VAL 54 HA VAL 54 -5.155 -2.482 -1.490 470 HB VAL 54 HB VAL 54 -4.139 -5.328 -1.126 471 HG11 VAL 54 1HG1 VAL 54 -2.554 -2.788 -1.550 472 HG12 VAL 54 2HG1 VAL 54 -2.635 -4.156 -2.663 473 HG13 VAL 54 3HG1 VAL 54 -1.879 -4.341 -1.079 474 HG21 VAL 54 1HG2 VAL 54 -3.874 -2.870 0.588 475 HG22 VAL 54 2HG2 VAL 54 -3.221 -4.470 0.957 476 HG23 VAL 54 3HG2 VAL 54 -4.964 -4.217 0.888 477 H GLN 55 H GLN 55 -6.164 -5.415 -3.119 478 HA GLN 55 HA GLN 55 -4.886 -5.056 -5.630 479 HB2 GLN 55 2HB GLN 55 -7.719 -6.061 -5.210 480 HB3 GLN 55 1HB GLN 55 -6.679 -6.398 -6.577 481 HG2 GLN 55 2HG GLN 55 -6.258 -7.362 -3.763 482 HG3 GLN 55 1HG GLN 55 -6.942 -8.309 -5.074 483 HE21 GLN 55 1HE2 GLN 55 -4.714 -8.852 -3.486 484 HE22 GLN 55 2HE2 GLN 55 -3.305 -8.981 -4.444 485 H LYS 56 H LYS 56 -8.023 -4.031 -4.421 486 HA LYS 56 HA LYS 56 -8.961 -2.598 -6.606 487 HB2 LYS 56 2HB LYS 56 -10.350 -3.387 -4.779 488 HB3 LYS 56 1HB LYS 56 -9.508 -2.337 -3.657 489 HG2 LYS 56 2HG LYS 56 -10.386 -0.399 -4.789 490 HG3 LYS 56 1HG LYS 56 -11.202 -1.444 -5.963 491 HD2 LYS 56 2HD LYS 56 -12.510 -2.450 -4.161 492 HD3 LYS 56 1HD LYS 56 -11.681 -1.433 -2.987 493 HE2 LYS 56 2HE LYS 56 -12.614 0.561 -4.007 494 HE3 LYS 56 1HE LYS 56 -13.376 -0.409 -5.263 495 HZ1 LYS 56 1HZ LYS 56 -14.753 -1.455 -3.590 496 HZ2 LYS 56 2HZ LYS 56 -14.923 0.213 -3.522 497 HZ3 LYS 56 3HZ LYS 56 -14.008 -0.572 -2.354 498 H ALA 57 H ALA 57 -7.111 -1.588 -3.778 499 HA ALA 57 HA ALA 57 -7.078 1.167 -4.424 500 HB1 ALA 57 1HB ALA 57 -5.360 1.355 -2.705 501 HB2 ALA 57 2HB ALA 57 -5.204 -0.395 -2.626 502 HB3 ALA 57 3HB ALA 57 -6.718 0.403 -2.144 503 H MET 58 H MET 58 -4.674 -1.402 -4.878 504 HA MET 58 HA MET 58 -2.730 0.184 -5.869 505 HB2 MET 58 2HB MET 58 -3.197 -2.732 -6.305 506 HB3 MET 58 1HB MET 58 -1.819 -1.969 -7.054 507 HG2 MET 58 2HG MET 58 -1.223 -1.161 -4.702 508 HG3 MET 58 1HG MET 58 -2.431 -2.307 -4.138 509 HE1 MET 58 1HE MET 58 -0.812 -5.696 -5.331 510 HE2 MET 58 2HE MET 58 -2.014 -4.768 -6.236 511 HE3 MET 58 3HE MET 58 -2.196 -4.991 -4.485 512 H LYS 59 H LYS 59 -5.277 -1.385 -7.690 513 HA LYS 59 HA LYS 59 -4.332 -0.704 -10.240 514 HB2 LYS 59 2HB LYS 59 -7.175 -1.087 -9.299 515 HB3 LYS 59 1HB LYS 59 -6.664 -1.047 -10.983 516 HG2 LYS 59 2HG LYS 59 -5.312 -3.026 -10.647 517 HG3 LYS 59 1HG LYS 59 -5.747 -3.050 -8.938 518 HD2 LYS 59 2HD LYS 59 -8.104 -3.353 -9.561 519 HD3 LYS 59 1HD LYS 59 -7.638 -3.365 -11.265 520 HE2 LYS 59 2HE LYS 59 -6.256 -5.334 -10.882 521 HE3 LYS 59 1HE LYS 59 -6.678 -5.309 -9.173 522 HZ1 LYS 59 1HZ LYS 59 -8.968 -5.687 -9.770 523 HZ2 LYS 59 2HZ LYS 59 -7.978 -6.901 -10.377 524 HZ3 LYS 59 3HZ LYS 59 -8.584 -5.714 -11.412 525 H HIS 60 H HIS 60 -6.495 0.997 -8.025 526 HA HIS 60 HA HIS 60 -7.040 3.155 -9.752 527 HB2 HIS 60 2HB HIS 60 -8.572 2.675 -8.010 528 HB3 HIS 60 1HB HIS 60 -7.313 2.737 -6.788 529 HD1 HIS 60 1HD HIS 60 -9.288 5.073 -9.082 530 HD2 HIS 60 2HD HIS 60 -7.049 5.117 -5.601 531 HE1 HIS 60 1HE HIS 60 -9.613 7.369 -8.109 532 HE2 HIS 60 2HE HIS 60 -8.436 7.278 -5.885 533 H LEU 61 H LEU 61 -4.690 2.671 -7.203 534 HA LEU 61 HA LEU 61 -3.650 5.318 -7.314 535 HB2 LEU 61 2HB LEU 61 -2.499 2.795 -6.165 536 HB3 LEU 61 1HB LEU 61 -1.860 4.406 -5.891 537 HG LEU 61 HG LEU 61 -4.612 3.493 -5.066 538 HD11 LEU 61 1HD1 LEU 61 -2.100 3.806 -3.439 539 HD12 LEU 61 2HD1 LEU 61 -2.974 2.299 -3.795 540 HD13 LEU 61 3HD1 LEU 61 -3.721 3.535 -2.802 541 HD21 LEU 61 1HD2 LEU 61 -3.058 5.999 -4.433 542 HD22 LEU 61 2HD2 LEU 61 -4.616 5.552 -3.739 543 HD23 LEU 61 3HD2 LEU 61 -4.489 5.894 -5.463 544 H ASP 62 H ASP 62 -3.034 2.424 -9.090 545 HA ASP 62 HA ASP 62 -0.485 3.191 -10.118 546 HB2 ASP 62 2HB ASP 62 -1.188 0.840 -10.154 547 HB3 ASP 62 1HB ASP 62 -2.546 1.239 -11.191 548 H LYS 63 H LYS 63 -3.807 3.880 -10.967 549 HA LYS 63 HA LYS 63 -3.007 4.926 -13.532 550 HB2 LYS 63 2HB LYS 63 -5.796 5.096 -12.375 551 HB3 LYS 63 1HB LYS 63 -5.328 5.135 -14.067 552 HG2 LYS 63 2HG LYS 63 -5.351 2.775 -12.202 553 HG3 LYS 63 1HG LYS 63 -6.324 3.019 -13.649 554 HD2 LYS 63 2HD LYS 63 -4.394 2.729 -15.061 555 HD3 LYS 63 1HD LYS 63 -3.315 2.753 -13.663 556 HE2 LYS 63 2HE LYS 63 -4.482 0.703 -12.821 557 HE3 LYS 63 1HE LYS 63 -5.359 0.648 -14.344 558 HZ1 LYS 63 1HZ LYS 63 -2.415 0.557 -14.074 559 HZ2 LYS 63 2HZ LYS 63 -3.261 0.396 -15.519 560 HZ3 LYS 63 3HZ LYS 63 -3.380 -0.796 -14.332 561 H LYS 64 H LYS 64 -2.574 5.997 -10.663 562 HA LYS 64 HA LYS 64 -3.591 8.703 -10.943 563 HB2 LYS 64 2HB LYS 64 -3.862 7.516 -8.769 564 HB3 LYS 64 1HB LYS 64 -2.125 7.344 -8.665 565 HG2 LYS 64 2HG LYS 64 -2.881 9.139 -7.227 566 HG3 LYS 64 1HG LYS 64 -1.878 9.774 -8.526 567 HD2 LYS 64 2HD LYS 64 -3.825 11.198 -8.130 568 HD3 LYS 64 1HD LYS 64 -3.884 10.481 -9.739 569 HE2 LYS 64 2HE LYS 64 -5.466 8.810 -8.936 570 HE3 LYS 64 1HE LYS 64 -5.396 9.488 -7.313 571 HZ1 LYS 64 1HZ LYS 64 -6.348 10.935 -9.728 572 HZ2 LYS 64 2HZ LYS 64 -6.331 11.545 -8.182 573 HZ3 LYS 64 3HZ LYS 64 -7.341 10.259 -8.553 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 14.114 6.944 12.166 2 H2 ALA 1 2HT ALA 1 14.135 6.860 10.466 3 H3 ALA 1 3HT ALA 1 14.718 5.580 11.369 4 HA ALA 1 HA ALA 1 12.579 5.076 12.191 5 HB1 ALA 1 1HB ALA 1 11.657 7.361 10.442 6 HB2 ALA 1 2HB ALA 1 11.668 7.354 12.204 7 HB3 ALA 1 3HB ALA 1 10.608 6.249 11.324 8 H ARG 2 H ARG 2 12.771 3.195 11.203 9 HA ARG 2 HA ARG 2 13.282 2.988 8.409 10 HB2 ARG 2 2HB ARG 2 14.291 1.467 10.064 11 HB3 ARG 2 1HB ARG 2 12.699 0.847 10.454 12 HG2 ARG 2 2HG ARG 2 12.486 -0.006 8.154 13 HG3 ARG 2 1HG ARG 2 14.094 0.612 7.801 14 HD2 ARG 2 2HD ARG 2 13.429 -1.458 9.884 15 HD3 ARG 2 1HD ARG 2 14.176 -1.767 8.314 16 HE ARG 2 HE ARG 2 15.710 0.123 9.716 17 HH11 ARG 2 1HH1 ARG 2 14.928 -3.332 9.860 18 HH12 ARG 2 2HH1 ARG 2 16.409 -3.757 10.588 19 HH21 ARG 2 1HH2 ARG 2 17.707 -0.482 10.713 20 HH22 ARG 2 2HH2 ARG 2 17.997 -2.119 11.100 21 H LYS 3 H LYS 3 11.578 3.749 7.331 22 HA LYS 3 HA LYS 3 9.112 2.180 7.489 23 HB2 LYS 3 2HB LYS 3 7.850 4.263 6.909 24 HB3 LYS 3 1HB LYS 3 8.608 4.296 8.492 25 HG2 LYS 3 2HG LYS 3 10.432 5.668 7.558 26 HG3 LYS 3 1HG LYS 3 9.609 5.665 5.998 27 HD2 LYS 3 2HD LYS 3 7.677 6.773 7.009 28 HD3 LYS 3 1HD LYS 3 8.476 6.747 8.579 29 HE2 LYS 3 2HE LYS 3 10.277 8.148 7.664 30 HE3 LYS 3 1HE LYS 3 9.445 8.186 6.109 31 HZ1 LYS 3 1HZ LYS 3 9.021 10.175 7.396 32 HZ2 LYS 3 2HZ LYS 3 8.390 9.285 8.672 33 HZ3 LYS 3 3HZ LYS 3 7.586 9.319 7.202 34 H SER 4 H SER 4 11.694 2.601 5.716 35 HA SER 4 HA SER 4 10.542 2.894 3.100 36 HB2 SER 4 2HB SER 4 13.258 1.838 3.930 37 HB3 SER 4 1HB SER 4 12.788 2.281 2.288 38 HG SER 4 HG SER 4 13.196 4.235 2.733 39 H CYS 5 H CYS 5 11.105 0.374 5.347 40 HA CYS 5 HA CYS 5 9.994 -1.579 3.497 41 HB2 CYS 5 2HB CYS 5 12.299 -1.986 5.398 42 HB3 CYS 5 1HB CYS 5 11.400 -3.305 4.671 43 H CYS 6 H CYS 6 8.589 -2.983 4.439 44 HA CYS 6 HA CYS 6 7.888 -2.470 7.214 45 HB2 CYS 6 2HB CYS 6 6.309 -3.292 4.815 46 HB3 CYS 6 1HB CYS 6 5.654 -3.269 6.452 47 H LEU 7 H LEU 7 7.375 -4.272 8.436 48 HA LEU 7 HA LEU 7 7.876 -6.895 7.253 49 HB2 LEU 7 2HB LEU 7 8.958 -7.664 9.332 50 HB3 LEU 7 1HB LEU 7 9.855 -6.381 8.565 51 HG LEU 7 HG LEU 7 8.083 -5.962 10.995 52 HD11 LEU 7 1HD1 LEU 7 9.911 -7.503 11.482 53 HD12 LEU 7 2HD1 LEU 7 10.164 -5.943 12.271 54 HD13 LEU 7 3HD1 LEU 7 11.065 -6.353 10.809 55 HD21 LEU 7 1HD2 LEU 7 9.372 -3.881 11.228 56 HD22 LEU 7 2HD2 LEU 7 8.534 -3.924 9.679 57 HD23 LEU 7 3HD2 LEU 7 10.256 -4.274 9.751 58 H LYS 8 H LYS 8 5.676 -4.973 8.272 59 HA LYS 8 HA LYS 8 3.978 -7.051 9.419 60 HB2 LYS 8 2HB LYS 8 4.130 -4.144 10.288 61 HB3 LYS 8 1HB LYS 8 2.971 -5.329 10.850 62 HG2 LYS 8 2HG LYS 8 4.680 -6.566 11.992 63 HG3 LYS 8 1HG LYS 8 5.940 -5.558 11.274 64 HD2 LYS 8 2HD LYS 8 5.497 -4.907 13.599 65 HD3 LYS 8 1HD LYS 8 5.101 -3.616 12.474 66 HE2 LYS 8 2HE LYS 8 3.390 -3.809 14.198 67 HE3 LYS 8 1HE LYS 8 2.725 -4.212 12.624 68 HZ1 LYS 8 1HZ LYS 8 2.952 -6.558 13.186 69 HZ2 LYS 8 2HZ LYS 8 1.992 -5.761 14.303 70 HZ3 LYS 8 3HZ LYS 8 3.586 -6.142 14.700 71 H TYR 9 H TYR 9 1.720 -6.522 8.940 72 HA TYR 9 HA TYR 9 1.345 -4.553 6.790 73 HB2 TYR 9 2HB TYR 9 -0.475 -6.998 7.126 74 HB3 TYR 9 1HB TYR 9 -0.331 -5.875 5.836 75 HD1 TYR 9 1HD TYR 9 1.310 -6.047 4.140 76 HD2 TYR 9 2HD TYR 9 1.240 -8.826 7.334 77 HE1 TYR 9 1HE TYR 9 2.757 -7.563 2.856 78 HE2 TYR 9 2HE TYR 9 2.699 -10.333 6.063 79 HH TYR 9 HH TYR 9 4.286 -9.318 3.207 80 H THR 10 H THR 10 -0.766 -3.497 6.908 81 HA THR 10 HA THR 10 -1.507 -2.880 9.535 82 HB THR 10 HB THR 10 -1.679 -1.154 7.847 83 HG1 THR 10 1HG THR 10 -4.308 -1.101 8.080 84 HG21 THR 10 1HG2 THR 10 -3.368 -1.235 6.049 85 HG22 THR 10 2HG2 THR 10 -3.774 -2.893 6.522 86 HG23 THR 10 3HG2 THR 10 -2.165 -2.515 5.905 87 H LYS 11 H LYS 11 -3.380 -3.297 10.612 88 HA LYS 11 HA LYS 11 -4.696 -5.784 9.872 89 HB2 LYS 11 2HB LYS 11 -4.665 -4.235 12.449 90 HB3 LYS 11 1HB LYS 11 -5.483 -5.775 12.219 91 HG2 LYS 11 2HG LYS 11 -3.362 -6.867 11.754 92 HG3 LYS 11 1HG LYS 11 -2.520 -5.325 11.901 93 HD2 LYS 11 2HD LYS 11 -4.063 -6.691 14.107 94 HD3 LYS 11 1HD LYS 11 -2.314 -6.732 13.925 95 HE2 LYS 11 2HE LYS 11 -2.244 -4.281 14.142 96 HE3 LYS 11 1HE LYS 11 -3.991 -4.257 14.370 97 HZ1 LYS 11 1HZ LYS 11 -2.033 -5.602 16.150 98 HZ2 LYS 11 2HZ LYS 11 -3.697 -5.624 16.336 99 HZ3 LYS 11 3HZ LYS 11 -2.868 -4.166 16.479 100 H ARG 12 H ARG 12 -5.208 -2.531 9.533 101 HA ARG 12 HA ARG 12 -8.055 -3.051 9.208 102 HB2 ARG 12 2HB ARG 12 -8.660 -0.865 10.045 103 HB3 ARG 12 1HB ARG 12 -7.693 -1.700 11.249 104 HG2 ARG 12 2HG ARG 12 -5.746 -0.379 10.590 105 HG3 ARG 12 1HG ARG 12 -6.742 0.466 9.396 106 HD2 ARG 12 2HD ARG 12 -7.181 0.440 12.377 107 HD3 ARG 12 1HD ARG 12 -6.534 1.787 11.439 108 HE ARG 12 HE ARG 12 -8.956 1.167 10.301 109 HH11 ARG 12 1HH1 ARG 12 -7.862 2.209 13.487 110 HH12 ARG 12 2HH1 ARG 12 -9.301 3.017 13.886 111 HH21 ARG 12 1HH2 ARG 12 -10.937 2.249 10.828 112 HH22 ARG 12 2HH2 ARG 12 -11.122 3.043 12.321 113 HA PRO 13 HA PRO 13 -7.187 -1.527 5.168 114 HB2 PRO 13 2HB PRO 13 -9.717 -1.163 4.309 115 HB3 PRO 13 1HB PRO 13 -9.006 -2.769 4.513 116 HG2 PRO 13 2HG PRO 13 -10.827 -1.259 6.341 117 HG3 PRO 13 1HG PRO 13 -10.876 -2.968 5.862 118 HD2 PRO 13 2HD PRO 13 -9.836 -2.142 8.222 119 HD3 PRO 13 1HD PRO 13 -9.230 -3.564 7.353 120 H LEU 14 H LEU 14 -7.124 0.379 4.075 121 HA LEU 14 HA LEU 14 -7.984 2.790 5.467 122 HB2 LEU 14 2HB LEU 14 -6.178 2.358 3.102 123 HB3 LEU 14 1HB LEU 14 -6.565 3.921 3.765 124 HG LEU 14 HG LEU 14 -5.005 1.768 5.196 125 HD11 LEU 14 1HD1 LEU 14 -3.917 2.653 3.179 126 HD12 LEU 14 2HD1 LEU 14 -3.068 3.167 4.628 127 HD13 LEU 14 3HD1 LEU 14 -4.136 4.289 3.780 128 HD21 LEU 14 1HD2 LEU 14 -6.157 3.345 6.709 129 HD22 LEU 14 2HD2 LEU 14 -5.459 4.691 5.798 130 HD23 LEU 14 3HD2 LEU 14 -4.408 3.607 6.706 131 HA PRO 15 HA PRO 15 -10.877 3.139 1.961 132 HB2 PRO 15 2HB PRO 15 -11.174 5.979 2.507 133 HB3 PRO 15 1HB PRO 15 -12.356 4.697 2.768 134 HG2 PRO 15 2HG PRO 15 -11.137 6.070 4.801 135 HG3 PRO 15 1HG PRO 15 -11.757 4.421 4.963 136 HD2 PRO 15 2HD PRO 15 -8.950 5.359 4.554 137 HD3 PRO 15 1HD PRO 15 -9.572 4.023 5.552 138 H LEU 16 H LEU 16 -10.389 3.620 -0.144 139 HA LEU 16 HA LEU 16 -7.895 4.663 -0.937 140 HB2 LEU 16 2HB LEU 16 -9.083 3.214 -2.415 141 HB3 LEU 16 1HB LEU 16 -10.449 4.365 -2.488 142 HG LEU 16 HG LEU 16 -8.784 5.899 -3.581 143 HD11 LEU 16 1HD1 LEU 16 -6.838 4.864 -4.625 144 HD12 LEU 16 2HD1 LEU 16 -7.180 3.362 -3.768 145 HD13 LEU 16 3HD1 LEU 16 -6.742 4.812 -2.867 146 HD21 LEU 16 1HD2 LEU 16 -9.517 3.316 -4.878 147 HD22 LEU 16 2HD2 LEU 16 -9.049 4.812 -5.721 148 HD23 LEU 16 3HD2 LEU 16 -10.501 4.783 -4.720 149 H LYS 17 H LYS 17 -10.892 6.142 -0.403 150 HA LYS 17 HA LYS 17 -10.588 8.643 -1.585 151 HB2 LYS 17 2HB LYS 17 -12.004 7.937 0.986 152 HB3 LYS 17 1HB LYS 17 -12.224 9.420 0.073 153 HG2 LYS 17 2HG LYS 17 -13.139 8.179 -1.801 154 HG3 LYS 17 1HG LYS 17 -12.827 6.656 -0.970 155 HD2 LYS 17 2HD LYS 17 -15.180 7.280 -0.789 156 HD3 LYS 17 1HD LYS 17 -14.414 7.308 0.794 157 HE2 LYS 17 2HE LYS 17 -14.198 9.754 0.635 158 HE3 LYS 17 1HE LYS 17 -14.960 9.712 -0.954 159 HZ1 LYS 17 1HZ LYS 17 -16.956 8.818 0.090 160 HZ2 LYS 17 2HZ LYS 17 -16.523 10.304 0.748 161 HZ3 LYS 17 3HZ LYS 17 -16.210 8.897 1.605 162 H ARG 18 H ARG 18 -8.711 7.306 0.888 163 HA ARG 18 HA ARG 18 -7.737 9.983 1.721 164 HB2 ARG 18 2HB ARG 18 -8.180 7.564 3.470 165 HB3 ARG 18 1HB ARG 18 -6.998 8.777 3.906 166 HG2 ARG 18 2HG ARG 18 -9.090 9.095 5.099 167 HG3 ARG 18 1HG ARG 18 -8.774 10.461 4.039 168 HD2 ARG 18 2HD ARG 18 -10.356 9.504 2.409 169 HD3 ARG 18 1HD ARG 18 -10.672 8.176 3.516 170 HE ARG 18 HE ARG 18 -11.563 9.783 5.069 171 HH11 ARG 18 1HH1 ARG 18 -11.190 10.950 1.721 172 HH12 ARG 18 2HH1 ARG 18 -12.460 12.063 1.825 173 HH21 ARG 18 1HH2 ARG 18 -13.301 11.368 5.196 174 HH22 ARG 18 2HH2 ARG 18 -13.698 12.314 3.838 175 H ILE 19 H ILE 19 -6.858 7.669 -0.225 176 HA ILE 19 HA ILE 19 -4.094 7.423 0.784 177 HB ILE 19 HB ILE 19 -5.487 5.701 -1.300 178 HG12 ILE 19 2HG1 ILE 19 -4.787 4.994 1.543 179 HG13 ILE 19 1HG1 ILE 19 -6.407 5.497 1.043 180 HG21 ILE 19 1HG2 ILE 19 -2.834 5.324 0.143 181 HG22 ILE 19 2HG2 ILE 19 -3.025 5.781 -1.549 182 HG23 ILE 19 3HG2 ILE 19 -3.543 4.191 -0.984 183 HD11 ILE 19 1HD1 ILE 19 -6.530 3.538 -0.442 184 HD12 ILE 19 2HD1 ILE 19 -6.218 3.060 1.222 185 HD13 ILE 19 3HD1 ILE 19 -4.921 3.092 0.010 186 H LYS 20 H LYS 20 -2.512 8.350 -0.390 187 HA LYS 20 HA LYS 20 -3.256 9.807 -2.779 188 HB2 LYS 20 2HB LYS 20 -0.640 9.820 -1.263 189 HB3 LYS 20 1HB LYS 20 -1.038 10.890 -2.584 190 HG2 LYS 20 2HG LYS 20 -2.310 10.776 0.090 191 HG3 LYS 20 1HG LYS 20 -1.278 12.056 -0.568 192 HD2 LYS 20 2HD LYS 20 -4.010 11.227 -1.461 193 HD3 LYS 20 1HD LYS 20 -3.597 12.698 -0.611 194 HE2 LYS 20 2HE LYS 20 -2.284 13.547 -2.399 195 HE3 LYS 20 1HE LYS 20 -2.527 12.091 -3.383 196 HZ1 LYS 20 1HZ LYS 20 -4.593 14.074 -2.567 197 HZ2 LYS 20 2HZ LYS 20 -4.907 12.689 -3.474 198 HZ3 LYS 20 3HZ LYS 20 -3.928 13.907 -4.099 199 H SER 21 H SER 21 -1.003 7.209 -1.844 200 HA SER 21 HA SER 21 -0.813 6.123 -4.421 201 HB2 SER 21 2HB SER 21 1.591 6.790 -4.858 202 HB3 SER 21 1HB SER 21 0.431 8.107 -5.035 203 HG SER 21 HG SER 21 2.399 7.677 -3.126 204 H TYR 22 H TYR 22 1.196 4.540 -4.465 205 HA TYR 22 HA TYR 22 1.897 3.705 -1.729 206 HB2 TYR 22 2HB TYR 22 1.462 1.385 -2.219 207 HB3 TYR 22 1HB TYR 22 -0.006 2.319 -2.428 208 HD1 TYR 22 1HD TYR 22 -1.181 2.160 -4.406 209 HD2 TYR 22 2HD TYR 22 2.788 0.707 -4.323 210 HE1 TYR 22 1HE TYR 22 -1.497 1.127 -6.610 211 HE2 TYR 22 2HE TYR 22 2.473 -0.312 -6.543 212 HH TYR 22 HH TYR 22 -0.148 0.433 -8.503 213 H THR 23 H THR 23 3.522 2.065 -1.701 214 HA THR 23 HA THR 23 5.493 2.297 -3.882 215 HB THR 23 HB THR 23 5.990 1.919 -0.916 216 HG1 THR 23 1HG THR 23 5.294 4.044 -1.655 217 HG21 THR 23 1HG2 THR 23 7.636 0.836 -2.354 218 HG22 THR 23 2HG2 THR 23 8.355 2.198 -1.484 219 HG23 THR 23 3HG2 THR 23 7.926 2.353 -3.196 220 H ILE 24 H ILE 24 6.089 0.285 -4.719 221 HA ILE 24 HA ILE 24 4.916 -2.050 -3.492 222 HB ILE 24 HB ILE 24 6.610 -1.836 -6.007 223 HG12 ILE 24 2HG1 ILE 24 3.621 -2.155 -5.654 224 HG13 ILE 24 1HG1 ILE 24 4.452 -0.697 -6.186 225 HG21 ILE 24 1HG2 ILE 24 5.032 -4.176 -4.930 226 HG22 ILE 24 2HG2 ILE 24 6.789 -4.055 -5.013 227 HG23 ILE 24 3HG2 ILE 24 5.840 -4.115 -6.499 228 HD11 ILE 24 1HD1 ILE 24 4.382 -3.323 -7.653 229 HD12 ILE 24 2HD1 ILE 24 5.201 -1.856 -8.192 230 HD13 ILE 24 3HD1 ILE 24 3.441 -1.884 -8.046 231 H GLN 25 H GLN 25 5.933 -2.868 -1.817 232 HA GLN 25 HA GLN 25 8.819 -2.791 -1.694 233 HB2 GLN 25 2HB GLN 25 7.811 -2.324 0.369 234 HB3 GLN 25 1HB GLN 25 6.678 -3.656 0.237 235 HG2 GLN 25 2HG GLN 25 8.496 -5.233 0.509 236 HG3 GLN 25 1HG GLN 25 9.633 -3.891 0.639 237 HE21 GLN 25 1HE2 GLN 25 8.777 -6.035 2.501 238 HE22 GLN 25 2HE2 GLN 25 8.367 -5.215 3.961 239 H SER 26 H SER 26 9.927 -4.281 -2.563 240 HA SER 26 HA SER 26 8.712 -6.823 -3.114 241 HB2 SER 26 2HB SER 26 10.793 -7.104 -4.537 242 HB3 SER 26 1HB SER 26 9.743 -5.762 -5.002 243 HG SER 26 HG SER 26 11.891 -5.152 -4.980 244 H ASN 27 H ASN 27 9.580 -8.752 -2.348 245 HA ASN 27 HA ASN 27 10.984 -8.569 0.122 246 HB2 ASN 27 2HB ASN 27 10.853 -11.067 0.192 247 HB3 ASN 27 1HB ASN 27 9.306 -10.264 -0.003 248 HD21 ASN 27 1HD2 ASN 27 8.264 -11.890 -0.929 249 HD22 ASN 27 2HD2 ASN 27 8.686 -12.490 -2.498 250 H GLU 28 H GLU 28 11.942 -8.406 -2.878 251 HA GLU 28 HA GLU 28 14.453 -9.667 -2.976 252 HB2 GLU 28 2HB GLU 28 13.231 -8.866 -4.914 253 HB3 GLU 28 1HB GLU 28 13.283 -7.229 -4.296 254 HG2 GLU 28 2HG GLU 28 15.748 -7.325 -4.473 255 HG3 GLU 28 1HG GLU 28 15.561 -8.887 -5.287 256 H ALA 29 H ALA 29 13.290 -6.411 -2.095 257 HA ALA 29 HA ALA 29 15.997 -5.653 -1.259 258 HB1 ALA 29 1HB ALA 29 15.232 -3.348 -1.385 259 HB2 ALA 29 2HB ALA 29 13.588 -3.899 -1.710 260 HB3 ALA 29 3HB ALA 29 14.866 -4.203 -2.884 261 H CYS 30 H CYS 30 12.802 -6.175 0.001 262 HA CYS 30 HA CYS 30 13.772 -5.458 2.696 263 HB2 CYS 30 2HB CYS 30 10.937 -5.444 1.646 264 HB3 CYS 30 1HB CYS 30 11.417 -4.947 3.253 265 H ASN 31 H ASN 31 12.493 -6.848 4.395 266 HA ASN 31 HA ASN 31 13.086 -9.503 3.689 267 HB2 ASN 31 2HB ASN 31 12.094 -10.196 5.912 268 HB3 ASN 31 1HB ASN 31 13.400 -9.027 5.982 269 HD21 ASN 31 1HD2 ASN 31 12.759 -8.430 8.013 270 HD22 ASN 31 2HD2 ASN 31 11.379 -7.449 8.337 271 H ILE 32 H ILE 32 9.930 -7.965 3.898 272 HA ILE 32 HA ILE 32 8.847 -10.399 2.604 273 HB ILE 32 HB ILE 32 6.673 -9.954 3.628 274 HG12 ILE 32 2HG1 ILE 32 8.024 -7.627 5.031 275 HG13 ILE 32 1HG1 ILE 32 6.872 -7.479 3.714 276 HG21 ILE 32 1HG2 ILE 32 8.894 -9.866 5.628 277 HG22 ILE 32 2HG2 ILE 32 8.248 -11.336 4.878 278 HG23 ILE 32 3HG2 ILE 32 7.242 -10.377 5.985 279 HD11 ILE 32 1HD1 ILE 32 6.308 -8.640 6.431 280 HD12 ILE 32 2HD1 ILE 32 5.142 -8.490 5.115 281 HD13 ILE 32 3HD1 ILE 32 5.826 -7.044 5.858 282 H LYS 33 H LYS 33 6.631 -9.758 1.482 283 HA LYS 33 HA LYS 33 7.127 -7.321 -0.031 284 HB2 LYS 33 2HB LYS 33 6.811 -9.419 -1.338 285 HB3 LYS 33 1HB LYS 33 5.224 -9.612 -0.604 286 HG2 LYS 33 2HG LYS 33 4.486 -7.525 -1.640 287 HG3 LYS 33 1HG LYS 33 6.074 -7.324 -2.361 288 HD2 LYS 33 2HD LYS 33 5.752 -9.477 -3.567 289 HD3 LYS 33 1HD LYS 33 4.121 -9.548 -2.903 290 HE2 LYS 33 2HE LYS 33 3.539 -7.458 -3.992 291 HE3 LYS 33 1HE LYS 33 5.181 -7.301 -4.608 292 HZ1 LYS 33 1HZ LYS 33 3.242 -9.435 -5.337 293 HZ2 LYS 33 2HZ LYS 33 4.824 -9.310 -5.924 294 HZ3 LYS 33 3HZ LYS 33 3.680 -8.129 -6.282 295 H ALA 34 H ALA 34 6.048 -5.599 0.746 296 HA ALA 34 HA ALA 34 3.280 -5.886 1.602 297 HB1 ALA 34 1HB ALA 34 4.585 -6.051 3.700 298 HB2 ALA 34 2HB ALA 34 3.687 -4.547 3.653 299 HB3 ALA 34 3HB ALA 34 5.415 -4.549 3.297 300 H ILE 35 H ILE 35 2.283 -4.496 0.236 301 HA ILE 35 HA ILE 35 3.614 -2.330 -1.028 302 HB ILE 35 HB ILE 35 0.632 -2.775 -0.671 303 HG12 ILE 35 2HG1 ILE 35 1.785 -4.656 -1.716 304 HG13 ILE 35 1HG1 ILE 35 0.689 -3.864 -2.857 305 HG21 ILE 35 1HG2 ILE 35 0.389 -1.335 -2.708 306 HG22 ILE 35 2HG2 ILE 35 2.109 -1.040 -2.669 307 HG23 ILE 35 3HG2 ILE 35 1.099 -0.473 -1.352 308 HD11 ILE 35 1HD1 ILE 35 2.701 -4.486 -3.957 309 HD12 ILE 35 2HD1 ILE 35 3.700 -3.676 -2.734 310 HD13 ILE 35 3HD1 ILE 35 2.671 -2.733 -3.821 311 H ILE 36 H ILE 36 3.923 -0.240 -0.332 312 HA ILE 36 HA ILE 36 2.823 0.342 2.303 313 HB ILE 36 HB ILE 36 5.009 1.891 0.867 314 HG12 ILE 36 2HG1 ILE 36 6.454 0.958 2.806 315 HG13 ILE 36 1HG1 ILE 36 5.200 -0.266 2.946 316 HG21 ILE 36 1HG2 ILE 36 3.805 3.263 2.408 317 HG22 ILE 36 2HG2 ILE 36 5.429 2.892 3.005 318 HG23 ILE 36 3HG2 ILE 36 4.029 2.047 3.683 319 HD11 ILE 36 1HD1 ILE 36 5.604 -0.946 0.673 320 HD12 ILE 36 2HD1 ILE 36 7.076 -1.013 1.666 321 HD13 ILE 36 3HD1 ILE 36 6.829 0.324 0.530 322 H PHE 37 H PHE 37 1.050 1.376 2.296 323 HA PHE 37 HA PHE 37 0.196 3.076 0.150 324 HB2 PHE 37 2HB PHE 37 -0.981 1.971 2.659 325 HB3 PHE 37 1HB PHE 37 -1.753 3.344 1.864 326 HD1 PHE 37 1HD PHE 37 -0.073 0.535 0.262 327 HD2 PHE 37 2HD PHE 37 -3.705 2.358 1.205 328 HE1 PHE 37 1HE PHE 37 -1.289 -1.046 -1.317 329 HE2 PHE 37 2HE PHE 37 -4.921 0.837 -0.317 330 HZ PHE 37 HZ PHE 37 -3.686 -0.856 -1.567 331 H THR 38 H THR 38 0.111 5.206 0.255 332 HA THR 38 HA THR 38 0.924 6.425 2.786 333 HB THR 38 HB THR 38 1.351 7.538 -0.005 334 HG1 THR 38 1HG THR 38 2.607 5.660 1.382 335 HG21 THR 38 1HG2 THR 38 1.189 9.205 1.744 336 HG22 THR 38 2HG2 THR 38 2.866 9.094 1.200 337 HG23 THR 38 3HG2 THR 38 2.349 8.340 2.730 338 H THR 39 H THR 39 -0.481 7.910 3.615 339 HA THR 39 HA THR 39 -2.984 8.134 2.185 340 HB THR 39 HB THR 39 -3.784 9.203 4.326 341 HG1 THR 39 1HG THR 39 -2.406 8.654 6.170 342 HG21 THR 39 1HG2 THR 39 -4.243 6.857 3.853 343 HG22 THR 39 2HG2 THR 39 -3.913 7.075 5.572 344 HG23 THR 39 3HG2 THR 39 -2.672 6.403 4.514 345 H LYS 40 H LYS 40 -4.067 10.387 2.587 346 HA LYS 40 HA LYS 40 -2.479 12.335 1.294 347 HB2 LYS 40 2HB LYS 40 -4.852 12.891 3.000 348 HB3 LYS 40 1HB LYS 40 -4.312 13.840 1.614 349 HG2 LYS 40 2HG LYS 40 -4.834 11.542 0.309 350 HG3 LYS 40 1HG LYS 40 -5.793 11.282 1.731 351 HD2 LYS 40 2HD LYS 40 -7.032 13.319 1.394 352 HD3 LYS 40 1HD LYS 40 -5.976 13.677 0.006 353 HE2 LYS 40 2HE LYS 40 -6.754 11.779 -1.184 354 HE3 LYS 40 1HE LYS 40 -7.714 11.235 0.176 355 HZ1 LYS 40 1HZ LYS 40 -9.074 13.213 -0.029 356 HZ2 LYS 40 2HZ LYS 40 -9.084 12.340 -1.472 357 HZ3 LYS 40 3HZ LYS 40 -8.166 13.745 -1.350 358 H LYS 41 H LYS 41 -2.726 11.353 4.497 359 HA LYS 41 HA LYS 41 -1.713 13.734 5.745 360 HB2 LYS 41 2HB LYS 41 -1.930 10.870 6.724 361 HB3 LYS 41 1HB LYS 41 -1.364 12.190 7.717 362 HG2 LYS 41 2HG LYS 41 -3.655 11.715 8.309 363 HG3 LYS 41 1HG LYS 41 -3.598 13.256 7.476 364 HD2 LYS 41 2HD LYS 41 -4.417 12.222 5.434 365 HD3 LYS 41 1HD LYS 41 -4.377 10.633 6.196 366 HE2 LYS 41 2HE LYS 41 -6.653 11.538 6.152 367 HE3 LYS 41 1HE LYS 41 -6.078 11.344 7.801 368 HZ1 LYS 41 1HZ LYS 41 -6.140 13.904 6.291 369 HZ2 LYS 41 2HZ LYS 41 -5.614 13.720 7.883 370 HZ3 LYS 41 3HZ LYS 41 -7.220 13.447 7.503 371 H GLY 42 H GLY 42 -0.562 11.230 3.870 372 HA2 GLY 42 2HA GLY 42 1.469 10.925 2.956 373 HA3 GLY 42 1HA GLY 42 2.096 12.195 3.970 374 H ARG 43 H ARG 43 0.493 9.736 5.656 375 HA ARG 43 HA ARG 43 2.981 8.849 6.814 376 HB2 ARG 43 2HB ARG 43 0.218 7.815 7.196 377 HB3 ARG 43 1HB ARG 43 1.603 7.355 8.182 378 HG2 ARG 43 2HG ARG 43 1.775 9.831 8.780 379 HG3 ARG 43 1HG ARG 43 0.168 9.998 8.063 380 HD2 ARG 43 2HD ARG 43 0.947 8.226 10.370 381 HD3 ARG 43 1HD ARG 43 -0.011 9.691 10.462 382 HE ARG 43 HE ARG 43 -1.632 8.427 9.007 383 HH11 ARG 43 1HH1 ARG 43 0.532 6.745 11.286 384 HH12 ARG 43 2HH1 ARG 43 -0.572 5.516 11.651 385 HH21 ARG 43 1HH2 ARG 43 -3.172 6.698 9.526 386 HH22 ARG 43 2HH2 ARG 43 -2.717 5.496 10.639 387 H LYS 44 H LYS 44 3.535 6.542 6.986 388 HA LYS 44 HA LYS 44 2.996 5.225 4.438 389 HB2 LYS 44 2HB LYS 44 5.299 4.882 6.373 390 HB3 LYS 44 1HB LYS 44 5.074 3.921 4.923 391 HG2 LYS 44 2HG LYS 44 5.519 6.909 5.002 392 HG3 LYS 44 1HG LYS 44 6.726 5.695 4.568 393 HD2 LYS 44 2HD LYS 44 5.348 5.017 2.648 394 HD3 LYS 44 1HD LYS 44 4.134 6.215 3.089 395 HE2 LYS 44 2HE LYS 44 5.518 7.014 1.267 396 HE3 LYS 44 1HE LYS 44 5.770 7.997 2.707 397 HZ1 LYS 44 1HZ LYS 44 7.567 5.839 1.720 398 HZ2 LYS 44 2HZ LYS 44 7.831 6.741 3.115 399 HZ3 LYS 44 3HZ LYS 44 7.861 7.477 1.606 400 H ILE 45 H ILE 45 1.581 3.689 4.469 401 HA ILE 45 HA ILE 45 1.102 2.190 6.947 402 HB ILE 45 HB ILE 45 -0.729 2.546 4.543 403 HG12 ILE 45 2HG1 ILE 45 -2.259 3.767 6.252 404 HG13 ILE 45 1HG1 ILE 45 -0.833 3.842 7.283 405 HG21 ILE 45 1HG2 ILE 45 -1.239 1.153 7.162 406 HG22 ILE 45 2HG2 ILE 45 -1.063 0.403 5.576 407 HG23 ILE 45 3HG2 ILE 45 -2.452 1.435 5.913 408 HD11 ILE 45 1HD1 ILE 45 -1.302 5.882 6.105 409 HD12 ILE 45 2HD1 ILE 45 -1.102 5.050 4.568 410 HD13 ILE 45 3HD1 ILE 45 0.284 5.217 5.657 411 H CYS 46 H CYS 46 1.575 0.100 6.876 412 HA CYS 46 HA CYS 46 2.653 -1.009 4.408 413 HB2 CYS 46 2HB CYS 46 2.514 -2.176 7.186 414 HB3 CYS 46 1HB CYS 46 3.534 -2.727 5.860 415 H ALA 47 H ALA 47 1.175 -2.010 3.105 416 HA ALA 47 HA ALA 47 -1.070 -3.295 4.495 417 HB1 ALA 47 1HB ALA 47 -1.075 -2.026 1.765 418 HB2 ALA 47 2HB ALA 47 -1.741 -1.308 3.234 419 HB3 ALA 47 3HB ALA 47 -2.450 -2.780 2.573 420 H ASN 48 H ASN 48 -1.678 -5.347 3.919 421 HA ASN 48 HA ASN 48 0.237 -6.803 2.538 422 HB2 ASN 48 2HB ASN 48 -0.742 -8.006 4.251 423 HB3 ASN 48 1HB ASN 48 -2.366 -7.497 3.837 424 HD21 ASN 48 1HD2 ASN 48 0.308 -9.488 2.688 425 HD22 ASN 48 2HD2 ASN 48 -0.795 -10.514 1.802 426 HA PRO 49 HA PRO 49 -1.128 -5.989 -1.557 427 HB2 PRO 49 2HB PRO 49 0.380 -7.966 -2.707 428 HB3 PRO 49 1HB PRO 49 0.962 -6.337 -2.392 429 HG2 PRO 49 2HG PRO 49 1.437 -8.851 -0.880 430 HG3 PRO 49 1HG PRO 49 2.488 -7.438 -1.086 431 HD2 PRO 49 2HD PRO 49 1.126 -7.946 1.204 432 HD3 PRO 49 1HD PRO 49 1.529 -6.309 0.662 433 H ASN 50 H ASN 50 -1.312 -9.035 0.098 434 HA ASN 50 HA ASN 50 -2.698 -10.320 -1.958 435 HB2 ASN 50 2HB ASN 50 -2.376 -11.073 0.927 436 HB3 ASN 50 1HB ASN 50 -3.099 -12.089 -0.316 437 HD21 ASN 50 1HD2 ASN 50 -0.694 -12.340 1.340 438 HD22 ASN 50 2HD2 ASN 50 0.589 -12.663 0.239 439 H GLU 51 H GLU 51 -3.593 -7.947 0.295 440 HA GLU 51 HA GLU 51 -6.210 -8.939 0.901 441 HB2 GLU 51 2HB GLU 51 -5.194 -6.116 1.234 442 HB3 GLU 51 1HB GLU 51 -6.625 -6.807 1.974 443 HG2 GLU 51 2HG GLU 51 -4.871 -8.479 3.094 444 HG3 GLU 51 1HG GLU 51 -3.800 -7.305 2.453 445 H LYS 52 H LYS 52 -8.021 -8.584 -0.138 446 HA LYS 52 HA LYS 52 -7.980 -7.851 -2.813 447 HB2 LYS 52 2HB LYS 52 -9.666 -9.342 -1.875 448 HB3 LYS 52 1HB LYS 52 -10.351 -8.009 -0.956 449 HG2 LYS 52 2HG LYS 52 -10.945 -6.878 -3.036 450 HG3 LYS 52 1HG LYS 52 -10.247 -8.213 -3.953 451 HD2 LYS 52 2HD LYS 52 -11.871 -9.737 -2.989 452 HD3 LYS 52 1HD LYS 52 -12.551 -8.424 -2.028 453 HE2 LYS 52 2HE LYS 52 -13.133 -7.229 -4.072 454 HE3 LYS 52 1HE LYS 52 -12.472 -8.548 -5.036 455 HZ1 LYS 52 1HZ LYS 52 -14.783 -8.710 -3.186 456 HZ2 LYS 52 2HZ LYS 52 -14.121 -10.012 -4.024 457 HZ3 LYS 52 3HZ LYS 52 -14.841 -8.756 -4.870 458 H TRP 53 H TRP 53 -8.713 -5.896 0.036 459 HA TRP 53 HA TRP 53 -9.762 -3.719 -1.456 460 HB2 TRP 53 2HB TRP 53 -9.630 -2.375 0.557 461 HB3 TRP 53 1HB TRP 53 -10.137 -3.987 1.023 462 HD1 TRP 53 HD TRP 53 -8.281 -5.469 2.441 463 HE1 TRP 53 1HE TRP 53 -6.337 -4.740 3.874 464 HE3 TRP 53 3HE TRP 53 -7.811 -0.657 0.768 465 HZ2 TRP 53 2HZ TRP 53 -4.754 -2.431 4.283 466 HZ3 TRP 53 3HZ TRP 53 -6.035 0.738 1.735 467 HH2 TRP 53 HH TRP 53 -4.537 -0.133 3.458 468 H VAL 54 H VAL 54 -6.572 -4.698 -0.540 469 HA VAL 54 HA VAL 54 -5.207 -2.308 -1.234 470 HB VAL 54 HB VAL 54 -4.211 -5.161 -0.925 471 HG11 VAL 54 1HG1 VAL 54 -2.607 -2.616 -1.189 472 HG12 VAL 54 2HG1 VAL 54 -2.687 -3.899 -2.393 473 HG13 VAL 54 3HG1 VAL 54 -1.947 -4.203 -0.818 474 HG21 VAL 54 1HG2 VAL 54 -3.979 -2.760 0.859 475 HG22 VAL 54 2HG2 VAL 54 -3.349 -4.378 1.194 476 HG23 VAL 54 3HG2 VAL 54 -5.089 -4.102 1.091 477 H GLN 55 H GLN 55 -5.881 -5.332 -2.827 478 HA GLN 55 HA GLN 55 -4.450 -4.806 -5.173 479 HB2 GLN 55 2HB GLN 55 -6.832 -6.607 -4.832 480 HB3 GLN 55 1HB GLN 55 -5.680 -6.655 -6.166 481 HG2 GLN 55 2HG GLN 55 -3.881 -6.967 -4.469 482 HG3 GLN 55 1HG GLN 55 -5.150 -7.190 -3.275 483 HE21 GLN 55 1HE2 GLN 55 -3.115 -8.892 -4.059 484 HE22 GLN 55 2HE2 GLN 55 -3.797 -10.339 -4.679 485 H LYS 56 H LYS 56 -7.735 -4.103 -4.164 486 HA LYS 56 HA LYS 56 -8.758 -3.135 -6.603 487 HB2 LYS 56 2HB LYS 56 -10.105 -3.857 -4.652 488 HB3 LYS 56 1HB LYS 56 -9.496 -2.486 -3.751 489 HG2 LYS 56 2HG LYS 56 -10.567 -0.975 -5.303 490 HG3 LYS 56 1HG LYS 56 -11.170 -2.359 -6.231 491 HD2 LYS 56 2HD LYS 56 -12.368 -3.149 -4.243 492 HD3 LYS 56 1HD LYS 56 -11.810 -1.734 -3.348 493 HE2 LYS 56 2HE LYS 56 -12.998 -0.283 -4.941 494 HE3 LYS 56 1HE LYS 56 -13.558 -1.716 -5.801 495 HZ1 LYS 56 1HZ LYS 56 -14.721 -2.415 -3.815 496 HZ2 LYS 56 2HZ LYS 56 -15.243 -0.882 -4.283 497 HZ3 LYS 56 3HZ LYS 56 -14.184 -1.052 -2.981 498 H ALA 57 H ALA 57 -7.188 -1.631 -3.806 499 HA ALA 57 HA ALA 57 -7.346 1.023 -4.734 500 HB1 ALA 57 1HB ALA 57 -5.616 1.510 -3.059 501 HB2 ALA 57 2HB ALA 57 -5.388 -0.212 -2.781 502 HB3 ALA 57 3HB ALA 57 -6.935 0.578 -2.379 503 H MET 58 H MET 58 -4.820 -1.432 -4.951 504 HA MET 58 HA MET 58 -2.957 0.172 -6.190 505 HB2 MET 58 2HB MET 58 -3.180 -2.829 -6.306 506 HB3 MET 58 1HB MET 58 -1.830 -1.939 -6.989 507 HG2 MET 58 2HG MET 58 -1.443 -0.992 -4.692 508 HG3 MET 58 1HG MET 58 -2.651 -2.133 -4.110 509 HE1 MET 58 1HE MET 58 -0.902 -5.566 -4.905 510 HE2 MET 58 2HE MET 58 -2.042 -4.727 -5.961 511 HE3 MET 58 3HE MET 58 -2.348 -4.821 -4.217 512 H LYS 59 H LYS 59 -5.488 -1.804 -7.570 513 HA LYS 59 HA LYS 59 -4.854 -1.654 -10.249 514 HB2 LYS 59 2HB LYS 59 -6.624 -3.005 -9.214 515 HB3 LYS 59 1HB LYS 59 -7.540 -1.554 -8.869 516 HG2 LYS 59 2HG LYS 59 -7.712 -1.151 -11.309 517 HG3 LYS 59 1HG LYS 59 -6.900 -2.694 -11.586 518 HD2 LYS 59 2HD LYS 59 -9.529 -2.302 -10.129 519 HD3 LYS 59 1HD LYS 59 -9.336 -2.957 -11.751 520 HE2 LYS 59 2HE LYS 59 -8.090 -4.859 -10.837 521 HE3 LYS 59 1HE LYS 59 -8.233 -4.183 -9.219 522 HZ1 LYS 59 1HZ LYS 59 -10.632 -4.459 -9.342 523 HZ2 LYS 59 2HZ LYS 59 -9.838 -5.911 -9.635 524 HZ3 LYS 59 3HZ LYS 59 -10.501 -5.069 -10.918 525 H HIS 60 H HIS 60 -6.747 0.541 -8.194 526 HA HIS 60 HA HIS 60 -7.233 2.412 -10.246 527 HB2 HIS 60 2HB HIS 60 -8.753 2.196 -8.399 528 HB3 HIS 60 1HB HIS 60 -7.463 2.528 -7.249 529 HD1 HIS 60 1HD HIS 60 -9.589 4.263 -9.866 530 HD2 HIS 60 2HD HIS 60 -7.076 5.120 -6.707 531 HE1 HIS 60 1HE HIS 60 -9.809 6.719 -9.545 532 HE2 HIS 60 2HE HIS 60 -8.491 7.201 -7.474 533 H LEU 61 H LEU 61 -4.901 2.250 -7.588 534 HA LEU 61 HA LEU 61 -3.823 4.836 -8.060 535 HB2 LEU 61 2HB LEU 61 -2.830 2.535 -6.422 536 HB3 LEU 61 1HB LEU 61 -2.023 4.090 -6.475 537 HG LEU 61 HG LEU 61 -4.841 3.620 -5.486 538 HD11 LEU 61 1HD1 LEU 61 -2.271 4.096 -3.961 539 HD12 LEU 61 2HD1 LEU 61 -3.189 2.593 -4.010 540 HD13 LEU 61 3HD1 LEU 61 -3.889 4.024 -3.265 541 HD21 LEU 61 1HD2 LEU 61 -3.060 6.051 -5.389 542 HD22 LEU 61 2HD2 LEU 61 -4.637 5.909 -4.620 543 HD23 LEU 61 3HD2 LEU 61 -4.512 5.874 -6.379 544 H ASP 62 H ASP 62 -3.054 1.717 -9.445 545 HA ASP 62 HA ASP 62 -0.378 2.422 -10.181 546 HB2 ASP 62 2HB ASP 62 -1.079 0.069 -10.039 547 HB3 ASP 62 1HB ASP 62 -2.242 0.325 -11.326 548 H LYS 63 H LYS 63 -3.510 2.858 -11.570 549 HA LYS 63 HA LYS 63 -2.294 3.902 -13.967 550 HB2 LYS 63 2HB LYS 63 -4.514 3.668 -14.995 551 HB3 LYS 63 1HB LYS 63 -3.888 2.160 -14.354 552 HG2 LYS 63 2HG LYS 63 -5.343 2.592 -12.313 553 HG3 LYS 63 1HG LYS 63 -6.090 3.892 -13.247 554 HD2 LYS 63 2HD LYS 63 -7.448 1.929 -13.501 555 HD3 LYS 63 1HD LYS 63 -6.602 2.196 -15.029 556 HE2 LYS 63 2HE LYS 63 -4.858 0.516 -14.241 557 HE3 LYS 63 1HE LYS 63 -5.896 0.211 -12.864 558 HZ1 LYS 63 1HZ LYS 63 -6.179 -1.396 -14.623 559 HZ2 LYS 63 2HZ LYS 63 -6.636 -0.188 -15.687 560 HZ3 LYS 63 3HZ LYS 63 -7.624 -0.547 -14.365 561 H LYS 64 H LYS 64 -3.042 5.033 -11.134 562 HA LYS 64 HA LYS 64 -4.391 7.489 -11.950 563 HB2 LYS 64 2HB LYS 64 -4.917 6.190 -9.773 564 HB3 LYS 64 1HB LYS 64 -3.342 6.674 -9.214 565 HG2 LYS 64 2HG LYS 64 -5.610 8.600 -9.840 566 HG3 LYS 64 1HG LYS 64 -5.295 7.947 -8.251 567 HD2 LYS 64 2HD LYS 64 -4.345 10.086 -8.161 568 HD3 LYS 64 1HD LYS 64 -2.959 9.066 -8.517 569 HE2 LYS 64 2HE LYS 64 -2.881 11.065 -9.870 570 HE3 LYS 64 1HE LYS 64 -3.180 9.674 -10.904 571 HZ1 LYS 64 1HZ LYS 64 -4.599 11.538 -11.501 572 HZ2 LYS 64 2HZ LYS 64 -5.232 11.593 -9.945 573 HZ3 LYS 64 3HZ LYS 64 -5.549 10.273 -10.922 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 16.008 6.909 9.905 2 H2 ALA 1 2HT ALA 1 17.632 7.218 9.590 3 H3 ALA 1 3HT ALA 1 17.141 6.896 11.171 4 HA ALA 1 HA ALA 1 18.252 5.024 10.152 5 HB1 ALA 1 1HB ALA 1 16.489 4.596 11.818 6 HB2 ALA 1 2HB ALA 1 16.567 3.333 10.590 7 HB3 ALA 1 3HB ALA 1 15.298 4.549 10.514 8 H ARG 2 H ARG 2 18.450 3.618 8.424 9 HA ARG 2 HA ARG 2 16.925 4.441 6.067 10 HB2 ARG 2 2HB ARG 2 19.409 4.820 6.027 11 HB3 ARG 2 1HB ARG 2 19.635 3.093 6.195 12 HG2 ARG 2 2HG ARG 2 19.981 3.697 3.902 13 HG3 ARG 2 1HG ARG 2 18.481 2.783 4.008 14 HD2 ARG 2 2HD ARG 2 18.613 5.801 3.955 15 HD3 ARG 2 1HD ARG 2 18.413 4.814 2.516 16 HE ARG 2 HE ARG 2 16.349 3.978 3.592 17 HH11 ARG 2 1HH1 ARG 2 17.591 7.164 4.588 18 HH12 ARG 2 2HH1 ARG 2 16.064 7.837 4.848 19 HH21 ARG 2 1HH2 ARG 2 14.216 4.943 3.977 20 HH22 ARG 2 2HH2 ARG 2 14.101 6.553 4.513 21 H LYS 3 H LYS 3 15.192 3.035 6.555 22 HA LYS 3 HA LYS 3 15.892 0.222 6.156 23 HB2 LYS 3 2HB LYS 3 13.649 1.280 7.874 24 HB3 LYS 3 1HB LYS 3 13.913 -0.417 7.505 25 HG2 LYS 3 2HG LYS 3 16.112 -0.260 8.624 26 HG3 LYS 3 1HG LYS 3 15.724 1.400 9.077 27 HD2 LYS 3 2HD LYS 3 13.754 0.604 10.291 28 HD3 LYS 3 1HD LYS 3 14.150 -1.057 9.843 29 HE2 LYS 3 2HE LYS 3 16.325 -0.789 10.999 30 HE3 LYS 3 1HE LYS 3 15.798 0.807 11.530 31 HZ1 LYS 3 1HZ LYS 3 13.934 -0.290 12.716 32 HZ2 LYS 3 2HZ LYS 3 15.459 -0.838 13.223 33 HZ3 LYS 3 3HZ LYS 3 14.537 -1.778 12.191 34 H SER 4 H SER 4 12.893 2.122 6.186 35 HA SER 4 HA SER 4 11.206 2.363 4.713 36 HB2 SER 4 2HB SER 4 13.340 1.728 2.656 37 HB3 SER 4 1HB SER 4 11.797 2.527 2.335 38 HG SER 4 HG SER 4 12.426 4.249 3.542 39 H CYS 5 H CYS 5 11.710 -0.252 5.876 40 HA CYS 5 HA CYS 5 10.287 -1.895 3.912 41 HB2 CYS 5 2HB CYS 5 12.423 -2.829 5.840 42 HB3 CYS 5 1HB CYS 5 11.431 -3.883 4.847 43 H CYS 6 H CYS 6 8.699 -3.247 4.776 44 HA CYS 6 HA CYS 6 7.947 -2.761 7.558 45 HB2 CYS 6 2HB CYS 6 6.381 -3.501 5.108 46 HB3 CYS 6 1HB CYS 6 5.692 -3.355 6.723 47 H LEU 7 H LEU 7 7.516 -4.593 8.767 48 HA LEU 7 HA LEU 7 8.027 -7.151 7.444 49 HB2 LEU 7 2HB LEU 7 8.522 -6.395 10.334 50 HB3 LEU 7 1HB LEU 7 8.587 -8.031 9.739 51 HG LEU 7 HG LEU 7 10.480 -7.348 8.244 52 HD11 LEU 7 1HD1 LEU 7 11.701 -5.298 8.723 53 HD12 LEU 7 2HD1 LEU 7 10.430 -4.796 9.842 54 HD13 LEU 7 3HD1 LEU 7 10.075 -4.957 8.123 55 HD21 LEU 7 1HD2 LEU 7 10.862 -8.493 10.336 56 HD22 LEU 7 2HD2 LEU 7 10.865 -6.957 11.203 57 HD23 LEU 7 3HD2 LEU 7 12.138 -7.315 10.032 58 H LYS 8 H LYS 8 5.588 -5.289 8.689 59 HA LYS 8 HA LYS 8 3.918 -7.630 8.885 60 HB2 LYS 8 2HB LYS 8 2.675 -6.632 10.650 61 HB3 LYS 8 1HB LYS 8 4.337 -6.846 11.192 62 HG2 LYS 8 2HG LYS 8 4.715 -4.428 10.771 63 HG3 LYS 8 1HG LYS 8 3.026 -4.271 10.300 64 HD2 LYS 8 2HD LYS 8 4.045 -5.127 13.014 65 HD3 LYS 8 1HD LYS 8 3.380 -3.546 12.617 66 HE2 LYS 8 2HE LYS 8 1.899 -6.184 12.532 67 HE3 LYS 8 1HE LYS 8 1.727 -4.937 13.756 68 HZ1 LYS 8 1HZ LYS 8 -0.066 -4.813 12.207 69 HZ2 LYS 8 2HZ LYS 8 0.958 -4.686 10.882 70 HZ3 LYS 8 3HZ LYS 8 0.877 -3.441 12.008 71 H TYR 9 H TYR 9 1.638 -6.960 8.578 72 HA TYR 9 HA TYR 9 1.433 -4.701 6.710 73 HB2 TYR 9 2HB TYR 9 -0.493 -7.111 6.735 74 HB3 TYR 9 1HB TYR 9 -0.234 -5.880 5.549 75 HD1 TYR 9 1HD TYR 9 1.387 -6.086 3.907 76 HD2 TYR 9 2HD TYR 9 1.168 -8.945 7.007 77 HE1 TYR 9 1HE TYR 9 2.863 -7.587 2.618 78 HE2 TYR 9 2HE TYR 9 2.623 -10.463 5.743 79 HH TYR 9 HH TYR 9 4.346 -9.429 2.992 80 H THR 10 H THR 10 -0.604 -3.481 6.936 81 HA THR 10 HA THR 10 -1.523 -3.236 9.577 82 HB THR 10 HB THR 10 -1.527 -1.257 8.152 83 HG1 THR 10 1HG THR 10 -4.202 -1.269 8.218 84 HG21 THR 10 1HG2 THR 10 -3.102 -1.021 6.258 85 HG22 THR 10 2HG2 THR 10 -3.571 -2.710 6.455 86 HG23 THR 10 3HG2 THR 10 -1.921 -2.295 5.976 87 H LYS 11 H LYS 11 -3.322 -4.051 10.539 88 HA LYS 11 HA LYS 11 -4.800 -6.032 9.016 89 HB2 LYS 11 2HB LYS 11 -5.764 -6.710 11.185 90 HB3 LYS 11 1HB LYS 11 -4.010 -6.782 11.164 91 HG2 LYS 11 2HG LYS 11 -3.964 -4.630 12.381 92 HG3 LYS 11 1HG LYS 11 -5.732 -4.677 12.456 93 HD2 LYS 11 2HD LYS 11 -5.630 -6.806 13.629 94 HD3 LYS 11 1HD LYS 11 -3.869 -6.775 13.541 95 HE2 LYS 11 2HE LYS 11 -3.879 -4.710 14.886 96 HE3 LYS 11 1HE LYS 11 -5.634 -4.822 15.006 97 HZ1 LYS 11 1HZ LYS 11 -3.718 -6.856 15.942 98 HZ2 LYS 11 2HZ LYS 11 -5.384 -6.962 16.093 99 HZ3 LYS 11 3HZ LYS 11 -4.515 -5.788 16.962 100 H ARG 12 H ARG 12 -5.058 -2.849 9.624 101 HA ARG 12 HA ARG 12 -7.991 -2.903 9.497 102 HB2 ARG 12 2HB ARG 12 -7.068 -1.636 11.380 103 HB3 ARG 12 1HB ARG 12 -6.115 -0.652 10.272 104 HG2 ARG 12 2HG ARG 12 -8.022 0.623 10.962 105 HG3 ARG 12 1HG ARG 12 -8.269 0.158 9.277 106 HD2 ARG 12 2HD ARG 12 -9.651 -1.799 10.167 107 HD3 ARG 12 1HD ARG 12 -9.498 -1.045 11.734 108 HE ARG 12 HE ARG 12 -10.467 0.952 10.186 109 HH11 ARG 12 1HH1 ARG 12 -11.549 -2.316 10.983 110 HH12 ARG 12 2HH1 ARG 12 -13.190 -2.006 10.722 111 HH21 ARG 12 1HH2 ARG 12 -12.715 1.412 9.849 112 HH22 ARG 12 2HH2 ARG 12 -13.900 0.199 10.086 113 HA PRO 13 HA PRO 13 -7.243 -1.771 5.222 114 HB2 PRO 13 2HB PRO 13 -9.869 -1.160 4.613 115 HB3 PRO 13 1HB PRO 13 -9.182 -2.779 4.554 116 HG2 PRO 13 2HG PRO 13 -10.856 -1.515 6.660 117 HG3 PRO 13 1HG PRO 13 -10.836 -3.193 6.101 118 HD2 PRO 13 2HD PRO 13 -9.694 -2.357 8.401 119 HD3 PRO 13 1HD PRO 13 -9.080 -3.755 7.524 120 H LEU 14 H LEU 14 -6.828 0.098 4.260 121 HA LEU 14 HA LEU 14 -7.299 2.607 5.700 122 HB2 LEU 14 2HB LEU 14 -5.066 1.538 4.694 123 HB3 LEU 14 1HB LEU 14 -5.683 2.207 3.216 124 HG LEU 14 HG LEU 14 -4.710 3.639 5.660 125 HD11 LEU 14 1HD1 LEU 14 -3.869 3.654 2.807 126 HD12 LEU 14 2HD1 LEU 14 -3.028 2.910 4.170 127 HD13 LEU 14 3HD1 LEU 14 -3.205 4.668 4.077 128 HD21 LEU 14 1HD2 LEU 14 -6.636 4.928 4.986 129 HD22 LEU 14 2HD2 LEU 14 -6.081 4.907 3.287 130 HD23 LEU 14 3HD2 LEU 14 -5.111 5.698 4.538 131 HA PRO 15 HA PRO 15 -10.585 3.079 2.529 132 HB2 PRO 15 2HB PRO 15 -10.389 5.939 3.323 133 HB3 PRO 15 1HB PRO 15 -11.816 4.899 3.245 134 HG2 PRO 15 2HG PRO 15 -10.770 5.575 5.597 135 HG3 PRO 15 1HG PRO 15 -11.385 3.939 5.317 136 HD2 PRO 15 2HD PRO 15 -8.570 4.921 5.366 137 HD3 PRO 15 1HD PRO 15 -9.249 3.410 6.008 138 H LEU 16 H LEU 16 -10.374 3.500 0.436 139 HA LEU 16 HA LEU 16 -7.921 4.352 -0.688 140 HB2 LEU 16 2HB LEU 16 -9.228 2.777 -1.851 141 HB3 LEU 16 1HB LEU 16 -10.617 3.890 -1.948 142 HG LEU 16 HG LEU 16 -9.106 5.270 -3.394 143 HD11 LEU 16 1HD1 LEU 16 -7.198 4.069 -4.403 144 HD12 LEU 16 2HD1 LEU 16 -7.436 2.776 -3.237 145 HD13 LEU 16 3HD1 LEU 16 -6.971 4.391 -2.689 146 HD21 LEU 16 1HD2 LEU 16 -9.810 2.480 -4.203 147 HD22 LEU 16 2HD2 LEU 16 -9.473 3.837 -5.311 148 HD23 LEU 16 3HD2 LEU 16 -10.850 3.921 -4.204 149 H LYS 17 H LYS 17 -10.866 5.898 -0.013 150 HA LYS 17 HA LYS 17 -10.659 8.235 -1.513 151 HB2 LYS 17 2HB LYS 17 -11.919 7.863 1.197 152 HB3 LYS 17 1HB LYS 17 -12.251 9.182 0.078 153 HG2 LYS 17 2HG LYS 17 -13.117 7.595 -1.540 154 HG3 LYS 17 1HG LYS 17 -12.781 6.269 -0.434 155 HD2 LYS 17 2HD LYS 17 -14.319 7.334 1.207 156 HD3 LYS 17 1HD LYS 17 -14.716 8.540 -0.017 157 HE2 LYS 17 2HE LYS 17 -15.108 5.568 -0.270 158 HE3 LYS 17 1HE LYS 17 -16.380 6.754 0.040 159 HZ1 LYS 17 1HZ LYS 17 -14.706 6.580 -2.418 160 HZ2 LYS 17 2HZ LYS 17 -15.887 7.734 -2.142 161 HZ3 LYS 17 3HZ LYS 17 -16.314 6.120 -2.289 162 H ARG 18 H ARG 18 -8.679 7.174 0.917 163 HA ARG 18 HA ARG 18 -7.792 9.928 1.567 164 HB2 ARG 18 2HB ARG 18 -8.946 8.756 3.470 165 HB3 ARG 18 1HB ARG 18 -7.699 7.528 3.402 166 HG2 ARG 18 2HG ARG 18 -7.306 9.072 5.211 167 HG3 ARG 18 1HG ARG 18 -6.014 9.191 4.013 168 HD2 ARG 18 2HD ARG 18 -6.670 11.403 4.752 169 HD3 ARG 18 1HD ARG 18 -7.108 11.191 3.067 170 HE ARG 18 HE ARG 18 -9.250 10.501 4.809 171 HH11 ARG 18 1HH1 ARG 18 -7.617 13.378 3.461 172 HH12 ARG 18 2HH1 ARG 18 -9.033 14.293 3.426 173 HH21 ARG 18 1HH2 ARG 18 -11.166 11.830 4.781 174 HH22 ARG 18 2HH2 ARG 18 -11.078 13.423 4.217 175 H ILE 19 H ILE 19 -6.932 7.499 -0.280 176 HA ILE 19 HA ILE 19 -4.113 7.401 0.569 177 HB ILE 19 HB ILE 19 -5.515 5.554 -1.396 178 HG12 ILE 19 2HG1 ILE 19 -4.756 5.009 1.467 179 HG13 ILE 19 1HG1 ILE 19 -6.399 5.379 0.956 180 HG21 ILE 19 1HG2 ILE 19 -2.829 5.344 0.020 181 HG22 ILE 19 2HG2 ILE 19 -3.060 5.697 -1.690 182 HG23 ILE 19 3HG2 ILE 19 -3.516 4.125 -1.044 183 HD11 ILE 19 1HD1 ILE 19 -6.375 3.348 -0.456 184 HD12 ILE 19 2HD1 ILE 19 -6.079 2.987 1.242 185 HD13 ILE 19 3HD1 ILE 19 -4.743 3.038 0.090 186 H LYS 20 H LYS 20 -2.639 8.318 -0.708 187 HA LYS 20 HA LYS 20 -3.535 9.595 -3.138 188 HB2 LYS 20 2HB LYS 20 -0.852 9.770 -1.744 189 HB3 LYS 20 1HB LYS 20 -1.308 10.709 -3.142 190 HG2 LYS 20 2HG LYS 20 -2.461 10.819 -0.435 191 HG3 LYS 20 1HG LYS 20 -1.511 12.064 -1.261 192 HD2 LYS 20 2HD LYS 20 -4.255 11.067 -1.891 193 HD3 LYS 20 1HD LYS 20 -3.835 12.660 -1.302 194 HE2 LYS 20 2HE LYS 20 -3.021 11.599 -4.032 195 HE3 LYS 20 1HE LYS 20 -4.316 12.756 -3.738 196 HZ1 LYS 20 1HZ LYS 20 -2.674 14.298 -2.868 197 HZ2 LYS 20 2HZ LYS 20 -2.286 13.856 -4.443 198 HZ3 LYS 20 3HZ LYS 20 -1.425 13.208 -3.166 199 H SER 21 H SER 21 -1.122 7.157 -2.090 200 HA SER 21 HA SER 21 -1.066 5.790 -4.489 201 HB2 SER 21 2HB SER 21 1.273 6.437 -5.176 202 HB3 SER 21 1HB SER 21 0.032 7.644 -5.510 203 HG SER 21 HG SER 21 1.079 8.949 -4.335 204 H TYR 22 H TYR 22 1.027 4.378 -4.527 205 HA TYR 22 HA TYR 22 1.950 3.792 -1.790 206 HB2 TYR 22 2HB TYR 22 1.674 1.416 -2.206 207 HB3 TYR 22 1HB TYR 22 0.131 2.237 -2.291 208 HD1 TYR 22 1HD TYR 22 -1.178 2.063 -4.173 209 HD2 TYR 22 2HD TYR 22 2.822 0.711 -4.383 210 HE1 TYR 22 1HE TYR 22 -1.649 1.022 -6.335 211 HE2 TYR 22 2HE TYR 22 2.374 -0.339 -6.563 212 HH TYR 22 HH TYR 22 -0.485 0.316 -8.312 213 H THR 23 H THR 23 3.739 2.315 -1.829 214 HA THR 23 HA THR 23 5.342 2.479 -4.251 215 HB THR 23 HB THR 23 6.250 4.130 -2.641 216 HG1 THR 23 1HG THR 23 7.708 2.585 -3.906 217 HG21 THR 23 1HG2 THR 23 6.501 1.784 -0.763 218 HG22 THR 23 2HG2 THR 23 5.429 3.174 -0.584 219 HG23 THR 23 3HG2 THR 23 7.175 3.393 -0.469 220 H ILE 24 H ILE 24 6.742 0.612 -4.526 221 HA ILE 24 HA ILE 24 5.459 -1.711 -3.361 222 HB ILE 24 HB ILE 24 7.271 -1.482 -5.776 223 HG12 ILE 24 2HG1 ILE 24 4.277 -1.917 -5.563 224 HG13 ILE 24 1HG1 ILE 24 5.065 -0.433 -6.082 225 HG21 ILE 24 1HG2 ILE 24 5.737 -3.874 -4.735 226 HG22 ILE 24 2HG2 ILE 24 7.491 -3.682 -4.731 227 HG23 ILE 24 3HG2 ILE 24 6.621 -3.810 -6.259 228 HD11 ILE 24 1HD1 ILE 24 5.164 -3.086 -7.503 229 HD12 ILE 24 2HD1 ILE 24 5.959 -1.603 -8.033 230 HD13 ILE 24 3HD1 ILE 24 4.199 -1.685 -7.970 231 H GLN 25 H GLN 25 6.383 -2.672 -1.705 232 HA GLN 25 HA GLN 25 9.259 -2.605 -1.384 233 HB2 GLN 25 2HB GLN 25 8.157 -2.220 0.664 234 HB3 GLN 25 1HB GLN 25 6.994 -3.503 0.413 235 HG2 GLN 25 2HG GLN 25 8.760 -5.149 0.688 236 HG3 GLN 25 1HG GLN 25 9.918 -3.850 0.953 237 HE21 GLN 25 1HE2 GLN 25 8.893 -6.077 2.651 238 HE22 GLN 25 2HE2 GLN 25 8.426 -5.319 4.125 239 H SER 26 H SER 26 10.444 -4.118 -2.245 240 HA SER 26 HA SER 26 9.197 -6.558 -3.099 241 HB2 SER 26 2HB SER 26 11.407 -6.870 -4.248 242 HB3 SER 26 1HB SER 26 10.552 -5.403 -4.724 243 HG SER 26 HG SER 26 12.687 -4.953 -4.352 244 H ASN 27 H ASN 27 9.870 -8.573 -2.375 245 HA ASN 27 HA ASN 27 11.048 -8.592 0.242 246 HB2 ASN 27 2HB ASN 27 10.662 -11.055 0.210 247 HB3 ASN 27 1HB ASN 27 9.220 -10.087 -0.042 248 HD21 ASN 27 1HD2 ASN 27 8.133 -11.676 -1.017 249 HD22 ASN 27 2HD2 ASN 27 8.544 -12.232 -2.590 250 H GLU 28 H GLU 28 12.237 -8.419 -2.676 251 HA GLU 28 HA GLU 28 14.523 -10.059 -2.616 252 HB2 GLU 28 2HB GLU 28 13.566 -9.006 -4.628 253 HB3 GLU 28 1HB GLU 28 13.953 -7.424 -3.977 254 HG2 GLU 28 2HG GLU 28 16.326 -8.044 -4.027 255 HG3 GLU 28 1HG GLU 28 15.874 -9.572 -4.793 256 H ALA 29 H ALA 29 13.773 -6.694 -1.721 257 HA ALA 29 HA ALA 29 16.442 -6.356 -0.565 258 HB1 ALA 29 1HB ALA 29 15.937 -3.988 -0.538 259 HB2 ALA 29 2HB ALA 29 14.297 -4.317 -1.095 260 HB3 ALA 29 3HB ALA 29 15.668 -4.674 -2.143 261 H CYS 30 H CYS 30 13.095 -6.587 0.358 262 HA CYS 30 HA CYS 30 13.854 -6.018 3.152 263 HB2 CYS 30 2HB CYS 30 11.146 -5.812 1.838 264 HB3 CYS 30 1HB CYS 30 11.529 -5.388 3.496 265 H ASN 31 H ASN 31 12.398 -7.275 4.705 266 HA ASN 31 HA ASN 31 12.774 -10.017 4.350 267 HB2 ASN 31 2HB ASN 31 10.793 -8.650 6.191 268 HB3 ASN 31 1HB ASN 31 11.144 -10.367 6.215 269 HD21 ASN 31 1HD2 ASN 31 11.859 -10.349 8.284 270 HD22 ASN 31 2HD2 ASN 31 13.322 -9.637 8.822 271 H ILE 32 H ILE 32 9.757 -8.193 4.035 272 HA ILE 32 HA ILE 32 8.616 -10.481 2.554 273 HB ILE 32 HB ILE 32 6.416 -9.887 3.450 274 HG12 ILE 32 2HG1 ILE 32 7.878 -7.764 5.042 275 HG13 ILE 32 1HG1 ILE 32 6.833 -7.446 3.668 276 HG21 ILE 32 1HG2 ILE 32 8.485 -10.045 5.598 277 HG22 ILE 32 2HG2 ILE 32 7.828 -11.443 4.734 278 HG23 ILE 32 3HG2 ILE 32 6.781 -10.477 5.802 279 HD11 ILE 32 1HD1 ILE 32 6.003 -8.665 6.287 280 HD12 ILE 32 2HD1 ILE 32 4.935 -8.341 4.918 281 HD13 ILE 32 3HD1 ILE 32 5.714 -7.004 5.771 282 H LYS 33 H LYS 33 6.605 -9.633 1.300 283 HA LYS 33 HA LYS 33 7.303 -7.139 -0.028 284 HB2 LYS 33 2HB LYS 33 6.998 -9.125 -1.491 285 HB3 LYS 33 1HB LYS 33 5.385 -9.351 -0.833 286 HG2 LYS 33 2HG LYS 33 4.710 -7.177 -1.748 287 HG3 LYS 33 1HG LYS 33 6.317 -6.975 -2.433 288 HD2 LYS 33 2HD LYS 33 5.977 -8.990 -3.791 289 HD3 LYS 33 1HD LYS 33 4.358 -9.166 -3.107 290 HE2 LYS 33 2HE LYS 33 3.753 -6.962 -4.010 291 HE3 LYS 33 1HE LYS 33 5.357 -6.818 -4.718 292 HZ1 LYS 33 1HZ LYS 33 3.327 -8.870 -5.413 293 HZ2 LYS 33 2HZ LYS 33 4.887 -8.785 -6.052 294 HZ3 LYS 33 3HZ LYS 33 3.782 -7.559 -6.367 295 H ALA 34 H ALA 34 6.318 -5.482 0.952 296 HA ALA 34 HA ALA 34 3.486 -5.748 1.630 297 HB1 ALA 34 1HB ALA 34 4.747 -5.949 3.748 298 HB2 ALA 34 2HB ALA 34 3.866 -4.430 3.691 299 HB3 ALA 34 3HB ALA 34 5.599 -4.451 3.386 300 H ILE 35 H ILE 35 2.548 -4.388 0.253 301 HA ILE 35 HA ILE 35 3.903 -2.206 -0.949 302 HB ILE 35 HB ILE 35 0.955 -2.853 -0.765 303 HG12 ILE 35 2HG1 ILE 35 2.310 -4.594 -1.795 304 HG13 ILE 35 1HG1 ILE 35 1.246 -3.838 -2.983 305 HG21 ILE 35 1HG2 ILE 35 0.673 -1.361 -2.728 306 HG22 ILE 35 2HG2 ILE 35 2.364 -0.919 -2.613 307 HG23 ILE 35 3HG2 ILE 35 1.262 -0.489 -1.321 308 HD11 ILE 35 1HD1 ILE 35 3.416 -4.286 -3.923 309 HD12 ILE 35 2HD1 ILE 35 4.203 -3.395 -2.620 310 HD13 ILE 35 3HD1 ILE 35 3.189 -2.538 -3.778 311 H ILE 36 H ILE 36 4.092 -0.081 -0.282 312 HA ILE 36 HA ILE 36 2.856 0.442 2.289 313 HB ILE 36 HB ILE 36 5.142 1.968 0.988 314 HG12 ILE 36 2HG1 ILE 36 6.417 1.050 3.063 315 HG13 ILE 36 1HG1 ILE 36 5.135 -0.153 3.094 316 HG21 ILE 36 1HG2 ILE 36 3.858 3.405 2.400 317 HG22 ILE 36 2HG2 ILE 36 5.428 3.008 3.136 318 HG23 ILE 36 3HG2 ILE 36 3.961 2.220 3.719 319 HD11 ILE 36 1HD1 ILE 36 5.722 -0.852 0.874 320 HD12 ILE 36 2HD1 ILE 36 7.111 -0.942 1.977 321 HD13 ILE 36 3HD1 ILE 36 6.973 0.395 0.820 322 H PHE 37 H PHE 37 1.100 1.402 2.183 323 HA PHE 37 HA PHE 37 0.207 3.098 0.054 324 HB2 PHE 37 2HB PHE 37 -0.858 2.025 2.623 325 HB3 PHE 37 1HB PHE 37 -1.694 3.366 1.832 326 HD1 PHE 37 1HD PHE 37 -0.012 0.661 0.098 327 HD2 PHE 37 2HD PHE 37 -3.672 2.188 1.426 328 HE1 PHE 37 1HE PHE 37 -1.255 -0.980 -1.395 329 HE2 PHE 37 2HE PHE 37 -4.901 0.607 0.001 330 HZ PHE 37 HZ PHE 37 -3.688 -0.960 -1.401 331 H THR 38 H THR 38 0.025 5.219 0.122 332 HA THR 38 HA THR 38 0.876 6.524 2.577 333 HB THR 38 HB THR 38 1.415 7.453 -0.259 334 HG1 THR 38 1HG THR 38 2.640 5.726 1.375 335 HG21 THR 38 1HG2 THR 38 1.152 9.274 1.316 336 HG22 THR 38 2HG2 THR 38 2.859 9.131 0.880 337 HG23 THR 38 3HG2 THR 38 2.258 8.511 2.441 338 H THR 39 H THR 39 -0.474 8.070 3.320 339 HA THR 39 HA THR 39 -3.048 8.226 2.042 340 HB THR 39 HB THR 39 -3.621 9.579 4.078 341 HG1 THR 39 1HG THR 39 -2.021 9.148 5.807 342 HG21 THR 39 1HG2 THR 39 -4.116 7.226 3.921 343 HG22 THR 39 2HG2 THR 39 -3.638 7.627 5.579 344 HG23 THR 39 3HG2 THR 39 -2.504 6.814 4.491 345 H LYS 40 H LYS 40 -4.123 10.431 2.188 346 HA LYS 40 HA LYS 40 -2.669 12.347 0.716 347 HB2 LYS 40 2HB LYS 40 -5.037 12.850 2.457 348 HB3 LYS 40 1HB LYS 40 -4.567 13.819 1.056 349 HG2 LYS 40 2HG LYS 40 -5.032 11.481 -0.222 350 HG3 LYS 40 1HG LYS 40 -5.934 11.187 1.222 351 HD2 LYS 40 2HD LYS 40 -7.329 13.127 0.902 352 HD3 LYS 40 1HD LYS 40 -6.328 13.595 -0.489 353 HE2 LYS 40 2HE LYS 40 -6.972 11.593 -1.672 354 HE3 LYS 40 1HE LYS 40 -7.935 11.063 -0.307 355 HZ1 LYS 40 1HZ LYS 40 -9.320 13.089 -0.608 356 HZ2 LYS 40 2HZ LYS 40 -9.358 12.065 -1.944 357 HZ3 LYS 40 3HZ LYS 40 -8.438 13.461 -1.988 358 H LYS 41 H LYS 41 -2.924 11.684 4.097 359 HA LYS 41 HA LYS 41 -1.796 14.178 4.956 360 HB2 LYS 41 2HB LYS 41 -2.075 11.511 6.339 361 HB3 LYS 41 1HB LYS 41 -1.258 12.856 7.097 362 HG2 LYS 41 2HG LYS 41 -3.492 12.735 7.977 363 HG3 LYS 41 1HG LYS 41 -3.398 14.143 6.935 364 HD2 LYS 41 2HD LYS 41 -4.510 12.895 5.151 365 HD3 LYS 41 1HD LYS 41 -4.572 11.470 6.183 366 HE2 LYS 41 2HE LYS 41 -5.869 14.120 6.804 367 HE3 LYS 41 1HE LYS 41 -6.720 12.717 6.183 368 HZ1 LYS 41 1HZ LYS 41 -5.332 12.894 8.817 369 HZ2 LYS 41 2HZ LYS 41 -6.066 11.519 8.212 370 HZ3 LYS 41 3HZ LYS 41 -6.991 12.885 8.534 371 H GLY 42 H GLY 42 -0.723 11.357 3.520 372 HA2 GLY 42 2HA GLY 42 1.288 11.071 2.510 373 HA3 GLY 42 1HA GLY 42 1.933 12.409 3.425 374 H ARG 43 H ARG 43 0.339 10.035 5.299 375 HA ARG 43 HA ARG 43 2.804 9.199 6.518 376 HB2 ARG 43 2HB ARG 43 0.003 8.261 6.868 377 HB3 ARG 43 1HB ARG 43 1.342 7.604 7.796 378 HG2 ARG 43 2HG ARG 43 1.746 9.934 8.666 379 HG3 ARG 43 1HG ARG 43 0.246 10.420 7.867 380 HD2 ARG 43 2HD ARG 43 -0.130 9.896 10.239 381 HD3 ARG 43 1HD ARG 43 -1.001 8.781 9.192 382 HE ARG 43 HE ARG 43 1.550 7.755 9.852 383 HH11 ARG 43 1HH1 ARG 43 -1.659 8.206 11.308 384 HH12 ARG 43 2HH1 ARG 43 -1.504 6.879 12.356 385 HH21 ARG 43 1HH2 ARG 43 1.737 5.971 11.282 386 HH22 ARG 43 2HH2 ARG 43 0.462 5.574 12.366 387 H LYS 44 H LYS 44 3.363 6.914 6.838 388 HA LYS 44 HA LYS 44 3.113 5.409 4.337 389 HB2 LYS 44 2HB LYS 44 4.986 5.111 6.687 390 HB3 LYS 44 1HB LYS 44 5.013 4.100 5.256 391 HG2 LYS 44 2HG LYS 44 5.540 7.066 5.314 392 HG3 LYS 44 1HG LYS 44 6.776 5.811 5.256 393 HD2 LYS 44 2HD LYS 44 5.795 5.037 3.099 394 HD3 LYS 44 1HD LYS 44 4.688 6.410 3.150 395 HE2 LYS 44 2HE LYS 44 6.585 6.920 1.729 396 HE3 LYS 44 1HE LYS 44 6.618 7.932 3.173 397 HZ1 LYS 44 1HZ LYS 44 8.248 5.478 2.752 398 HZ2 LYS 44 2HZ LYS 44 8.292 6.448 4.124 399 HZ3 LYS 44 3HZ LYS 44 8.806 7.058 2.639 400 H ILE 45 H ILE 45 1.815 3.663 4.286 401 HA ILE 45 HA ILE 45 1.169 2.320 6.819 402 HB ILE 45 HB ILE 45 -0.673 2.616 4.418 403 HG12 ILE 45 2HG1 ILE 45 -2.210 3.799 6.150 404 HG13 ILE 45 1HG1 ILE 45 -0.750 3.978 7.126 405 HG21 ILE 45 1HG2 ILE 45 -1.160 1.250 7.053 406 HG22 ILE 45 2HG2 ILE 45 -0.985 0.485 5.475 407 HG23 ILE 45 3HG2 ILE 45 -2.381 1.512 5.805 408 HD11 ILE 45 1HD1 ILE 45 -1.292 5.971 5.928 409 HD12 ILE 45 2HD1 ILE 45 -1.271 5.107 4.405 410 HD13 ILE 45 3HD1 ILE 45 0.240 5.312 5.314 411 H CYS 46 H CYS 46 1.816 0.286 6.840 412 HA CYS 46 HA CYS 46 2.824 -1.021 4.442 413 HB2 CYS 46 2HB CYS 46 2.571 -2.017 7.279 414 HB3 CYS 46 1HB CYS 46 3.579 -2.760 6.056 415 H ALA 47 H ALA 47 1.308 -2.004 3.121 416 HA ALA 47 HA ALA 47 -0.959 -3.278 4.496 417 HB1 ALA 47 1HB ALA 47 -0.937 -2.038 1.750 418 HB2 ALA 47 2HB ALA 47 -1.612 -1.299 3.202 419 HB3 ALA 47 3HB ALA 47 -2.320 -2.779 2.555 420 H ASN 48 H ASN 48 -1.737 -5.257 3.730 421 HA ASN 48 HA ASN 48 0.240 -6.879 2.485 422 HB2 ASN 48 2HB ASN 48 -0.892 -7.917 4.227 423 HB3 ASN 48 1HB ASN 48 -2.485 -7.483 3.687 424 HD21 ASN 48 1HD2 ASN 48 0.177 -8.918 1.859 425 HD22 ASN 48 2HD2 ASN 48 -0.668 -10.377 1.439 426 HA PRO 49 HA PRO 49 -1.113 -5.808 -1.641 427 HB2 PRO 49 2HB PRO 49 0.483 -7.657 -2.863 428 HB3 PRO 49 1HB PRO 49 0.997 -6.030 -2.434 429 HG2 PRO 49 2HG PRO 49 1.463 -8.607 -1.014 430 HG3 PRO 49 1HG PRO 49 2.553 -7.222 -1.203 431 HD2 PRO 49 2HD PRO 49 1.261 -7.687 1.081 432 HD3 PRO 49 1HD PRO 49 1.517 -6.031 0.507 433 H ASN 50 H ASN 50 -1.213 -8.872 -0.140 434 HA ASN 50 HA ASN 50 -2.549 -10.206 -2.253 435 HB2 ASN 50 2HB ASN 50 -2.244 -11.026 0.633 436 HB3 ASN 50 1HB ASN 50 -2.955 -12.009 -0.641 437 HD21 ASN 50 1HD2 ASN 50 -1.052 -11.230 -2.695 438 HD22 ASN 50 2HD2 ASN 50 0.432 -11.990 -2.270 439 H GLU 51 H GLU 51 -3.533 -7.999 0.181 440 HA GLU 51 HA GLU 51 -6.115 -9.161 0.600 441 HB2 GLU 51 2HB GLU 51 -5.214 -6.388 1.352 442 HB3 GLU 51 1HB GLU 51 -6.654 -7.206 1.922 443 HG2 GLU 51 2HG GLU 51 -4.926 -8.988 2.801 444 HG3 GLU 51 1HG GLU 51 -3.830 -7.671 2.504 445 H LYS 52 H LYS 52 -7.958 -8.753 -0.302 446 HA LYS 52 HA LYS 52 -8.169 -7.852 -2.883 447 HB2 LYS 52 2HB LYS 52 -9.831 -9.275 -1.878 448 HB3 LYS 52 1HB LYS 52 -10.269 -8.022 -0.732 449 HG2 LYS 52 2HG LYS 52 -11.093 -6.633 -2.582 450 HG3 LYS 52 1HG LYS 52 -10.673 -7.923 -3.710 451 HD2 LYS 52 2HD LYS 52 -12.232 -9.419 -2.633 452 HD3 LYS 52 1HD LYS 52 -12.594 -8.196 -1.414 453 HE2 LYS 52 2HE LYS 52 -13.490 -6.733 -3.160 454 HE3 LYS 52 1HE LYS 52 -13.130 -7.962 -4.372 455 HZ1 LYS 52 1HZ LYS 52 -15.018 -8.283 -2.098 456 HZ2 LYS 52 2HZ LYS 52 -14.657 -9.452 -3.257 457 HZ3 LYS 52 3HZ LYS 52 -15.429 -8.028 -3.720 458 H TRP 53 H TRP 53 -8.685 -6.013 0.108 459 HA TRP 53 HA TRP 53 -9.777 -3.753 -1.196 460 HB2 TRP 53 2HB TRP 53 -9.521 -2.524 0.876 461 HB3 TRP 53 1HB TRP 53 -10.065 -4.149 1.251 462 HD1 TRP 53 HD TRP 53 -8.242 -5.767 2.542 463 HE1 TRP 53 1HE TRP 53 -6.192 -5.156 3.962 464 HE3 TRP 53 3HE TRP 53 -7.609 -0.900 1.106 465 HZ2 TRP 53 2HZ TRP 53 -4.538 -2.982 4.429 466 HZ3 TRP 53 3HZ TRP 53 -5.751 0.364 2.094 467 HH2 TRP 53 HH TRP 53 -4.250 -0.653 3.718 468 H VAL 54 H VAL 54 -6.557 -4.786 -0.592 469 HA VAL 54 HA VAL 54 -5.257 -2.321 -1.179 470 HB VAL 54 HB VAL 54 -4.213 -5.173 -1.062 471 HG11 VAL 54 1HG1 VAL 54 -2.654 -2.602 -1.283 472 HG12 VAL 54 2HG1 VAL 54 -2.807 -3.841 -2.527 473 HG13 VAL 54 3HG1 VAL 54 -1.976 -4.203 -1.005 474 HG21 VAL 54 1HG2 VAL 54 -3.938 -2.866 0.832 475 HG22 VAL 54 2HG2 VAL 54 -3.233 -4.465 1.042 476 HG23 VAL 54 3HG2 VAL 54 -4.990 -4.258 1.059 477 H GLN 55 H GLN 55 -6.043 -5.250 -2.922 478 HA GLN 55 HA GLN 55 -4.671 -4.540 -5.276 479 HB2 GLN 55 2HB GLN 55 -6.959 -6.469 -5.004 480 HB3 GLN 55 1HB GLN 55 -5.765 -6.417 -6.306 481 HG2 GLN 55 2HG GLN 55 -4.012 -6.678 -4.515 482 HG3 GLN 55 1HG GLN 55 -5.331 -7.085 -3.428 483 HE21 GLN 55 1HE2 GLN 55 -3.135 -8.584 -4.182 484 HE22 GLN 55 2HE2 GLN 55 -3.675 -10.012 -4.956 485 H LYS 56 H LYS 56 -7.959 -4.172 -4.110 486 HA LYS 56 HA LYS 56 -9.249 -3.062 -6.314 487 HB2 LYS 56 2HB LYS 56 -10.344 -3.868 -4.276 488 HB3 LYS 56 1HB LYS 56 -9.574 -2.595 -3.352 489 HG2 LYS 56 2HG LYS 56 -10.813 -0.937 -4.624 490 HG3 LYS 56 1HG LYS 56 -11.617 -2.242 -5.514 491 HD2 LYS 56 2HD LYS 56 -12.535 -3.115 -3.462 492 HD3 LYS 56 1HD LYS 56 -11.702 -1.875 -2.523 493 HE2 LYS 56 2HE LYS 56 -13.007 -0.149 -3.742 494 HE3 LYS 56 1HE LYS 56 -13.877 -1.438 -4.569 495 HZ1 LYS 56 1HZ LYS 56 -14.718 -2.205 -2.461 496 HZ2 LYS 56 2HZ LYS 56 -15.098 -0.581 -2.642 497 HZ3 LYS 56 3HZ LYS 56 -13.836 -1.065 -1.624 498 H ALA 57 H ALA 57 -7.272 -1.684 -3.737 499 HA ALA 57 HA ALA 57 -7.581 1.042 -4.497 500 HB1 ALA 57 1HB ALA 57 -5.709 1.475 -2.993 501 HB2 ALA 57 2HB ALA 57 -5.368 -0.244 -2.861 502 HB3 ALA 57 3HB ALA 57 -6.888 0.422 -2.234 503 H MET 58 H MET 58 -5.190 -1.409 -5.200 504 HA MET 58 HA MET 58 -3.329 0.189 -6.507 505 HB2 MET 58 2HB MET 58 -3.969 -2.690 -7.016 506 HB3 MET 58 1HB MET 58 -2.618 -1.846 -7.747 507 HG2 MET 58 2HG MET 58 -1.763 -1.377 -5.477 508 HG3 MET 58 1HG MET 58 -3.077 -2.359 -4.839 509 HE1 MET 58 1HE MET 58 0.087 -2.913 -4.389 510 HE2 MET 58 2HE MET 58 0.076 -4.673 -4.463 511 HE3 MET 58 3HE MET 58 -1.207 -3.827 -3.602 512 H LYS 59 H LYS 59 -6.114 -1.459 -7.866 513 HA LYS 59 HA LYS 59 -5.600 -0.870 -10.525 514 HB2 LYS 59 2HB LYS 59 -7.235 -2.518 -9.817 515 HB3 LYS 59 1HB LYS 59 -8.192 -1.282 -9.035 516 HG2 LYS 59 2HG LYS 59 -8.839 -0.364 -11.122 517 HG3 LYS 59 1HG LYS 59 -7.706 -1.408 -11.997 518 HD2 LYS 59 2HD LYS 59 -8.928 -3.383 -11.266 519 HD3 LYS 59 1HD LYS 59 -10.024 -2.381 -10.323 520 HE2 LYS 59 2HE LYS 59 -9.707 -2.202 -13.314 521 HE3 LYS 59 1HE LYS 59 -10.939 -3.169 -12.514 522 HZ1 LYS 59 1HZ LYS 59 -10.649 -0.215 -12.283 523 HZ2 LYS 59 2HZ LYS 59 -11.830 -1.154 -11.528 524 HZ3 LYS 59 3HZ LYS 59 -11.793 -1.040 -13.198 525 H HIS 60 H HIS 60 -7.230 0.995 -8.066 526 HA HIS 60 HA HIS 60 -7.860 3.162 -9.794 527 HB2 HIS 60 2HB HIS 60 -9.254 2.723 -7.888 528 HB3 HIS 60 1HB HIS 60 -7.874 2.821 -6.804 529 HD1 HIS 60 1HD HIS 60 -10.164 5.010 -8.873 530 HD2 HIS 60 2HD HIS 60 -7.323 5.287 -5.885 531 HE1 HIS 60 1HE HIS 60 -10.283 7.397 -8.071 532 HE2 HIS 60 2HE HIS 60 -8.453 7.586 -6.355 533 H LEU 61 H LEU 61 -5.311 2.522 -7.427 534 HA LEU 61 HA LEU 61 -4.141 5.143 -7.514 535 HB2 LEU 61 2HB LEU 61 -3.104 2.562 -6.407 536 HB3 LEU 61 1HB LEU 61 -2.342 4.119 -6.169 537 HG LEU 61 HG LEU 61 -5.097 3.371 -5.192 538 HD11 LEU 61 1HD1 LEU 61 -2.489 3.628 -3.703 539 HD12 LEU 61 2HD1 LEU 61 -3.324 2.119 -4.076 540 HD13 LEU 61 3HD1 LEU 61 -4.068 3.293 -2.987 541 HD21 LEU 61 1HD2 LEU 61 -3.368 5.786 -4.664 542 HD22 LEU 61 2HD2 LEU 61 -4.911 5.439 -3.886 543 HD23 LEU 61 3HD2 LEU 61 -4.853 5.770 -5.619 544 H ASP 62 H ASP 62 -3.478 2.170 -9.269 545 HA ASP 62 HA ASP 62 -0.804 2.894 -10.012 546 HB2 ASP 62 2HB ASP 62 -1.561 0.541 -9.929 547 HB3 ASP 62 1HB ASP 62 -2.684 0.891 -11.240 548 H LYS 63 H LYS 63 -3.932 3.475 -11.277 549 HA LYS 63 HA LYS 63 -2.677 4.829 -13.479 550 HB2 LYS 63 2HB LYS 63 -4.709 4.440 -14.820 551 HB3 LYS 63 1HB LYS 63 -3.945 2.945 -14.317 552 HG2 LYS 63 2HG LYS 63 -5.662 2.965 -12.388 553 HG3 LYS 63 1HG LYS 63 -6.503 4.173 -13.361 554 HD2 LYS 63 2HD LYS 63 -7.464 2.074 -13.903 555 HD3 LYS 63 1HD LYS 63 -6.422 2.515 -15.260 556 HE2 LYS 63 2HE LYS 63 -4.623 1.103 -14.292 557 HE3 LYS 63 1HE LYS 63 -5.738 0.632 -13.012 558 HZ1 LYS 63 1HZ LYS 63 -5.628 -1.029 -14.750 559 HZ2 LYS 63 2HZ LYS 63 -6.092 0.094 -15.906 560 HZ3 LYS 63 3HZ LYS 63 -7.173 -0.365 -14.716 561 H LYS 64 H LYS 64 -2.399 6.555 -12.243 562 HA LYS 64 HA LYS 64 -4.758 7.994 -11.336 563 HB2 LYS 64 2HB LYS 64 -3.114 9.290 -9.928 564 HB3 LYS 64 1HB LYS 64 -3.269 7.590 -9.515 565 HG2 LYS 64 2HG LYS 64 -1.189 7.146 -10.808 566 HG3 LYS 64 1HG LYS 64 -1.042 8.885 -11.073 567 HD2 LYS 64 2HD LYS 64 -0.877 9.251 -8.676 568 HD3 LYS 64 1HD LYS 64 -1.085 7.523 -8.380 569 HE2 LYS 64 2HE LYS 64 0.975 7.103 -9.698 570 HE3 LYS 64 1HE LYS 64 1.192 8.841 -9.859 571 HZ1 LYS 64 1HZ LYS 64 1.353 8.986 -7.432 572 HZ2 LYS 64 2HZ LYS 64 2.524 7.947 -8.069 573 HZ3 LYS 64 3HZ LYS 64 1.166 7.307 -7.333 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 20.158 5.371 4.949 2 H2 ALA 1 2HT ALA 1 19.000 5.883 3.840 3 H3 ALA 1 3HT ALA 1 20.499 5.325 3.302 4 HA ALA 1 HA ALA 1 20.082 3.151 4.098 5 HB1 ALA 1 1HB ALA 1 18.645 3.763 5.979 6 HB2 ALA 1 2HB ALA 1 17.904 2.526 4.968 7 HB3 ALA 1 3HB ALA 1 17.358 4.200 4.848 8 H ARG 2 H ARG 2 17.722 5.305 2.515 9 HA ARG 2 HA ARG 2 16.464 5.146 0.690 10 HB2 ARG 2 2HB ARG 2 18.829 3.633 -0.444 11 HB3 ARG 2 1HB ARG 2 17.522 4.315 -1.389 12 HG2 ARG 2 2HG ARG 2 18.199 6.566 -0.589 13 HG3 ARG 2 1HG ARG 2 19.572 5.814 0.221 14 HD2 ARG 2 2HD ARG 2 18.992 5.749 -2.739 15 HD3 ARG 2 1HD ARG 2 20.247 6.698 -1.952 16 HE ARG 2 HE ARG 2 20.661 4.041 -1.259 17 HH11 ARG 2 1HH1 ARG 2 20.788 6.021 -4.191 18 HH12 ARG 2 2HH1 ARG 2 21.879 4.999 -4.993 19 HH21 ARG 2 1HH2 ARG 2 22.166 2.689 -2.336 20 HH22 ARG 2 2HH2 ARG 2 22.709 3.079 -3.909 21 H LYS 3 H LYS 3 14.965 3.810 1.850 22 HA LYS 3 HA LYS 3 14.350 1.432 0.431 23 HB2 LYS 3 2HB LYS 3 14.485 -0.111 2.341 24 HB3 LYS 3 1HB LYS 3 16.068 0.467 1.843 25 HG2 LYS 3 2HG LYS 3 16.090 2.049 3.699 26 HG3 LYS 3 1HG LYS 3 14.490 1.510 4.195 27 HD2 LYS 3 2HD LYS 3 16.974 -0.208 4.097 28 HD3 LYS 3 1HD LYS 3 16.296 0.512 5.555 29 HE2 LYS 3 2HE LYS 3 14.225 -0.792 5.202 30 HE3 LYS 3 1HE LYS 3 14.938 -1.515 3.768 31 HZ1 LYS 3 1HZ LYS 3 15.144 -2.973 5.674 32 HZ2 LYS 3 2HZ LYS 3 15.982 -1.792 6.532 33 HZ3 LYS 3 3HZ LYS 3 16.660 -2.464 5.137 34 H SER 4 H SER 4 12.330 0.614 1.010 35 HA SER 4 HA SER 4 10.908 1.867 3.180 36 HB2 SER 4 2HB SER 4 9.818 1.607 0.356 37 HB3 SER 4 1HB SER 4 8.920 2.192 1.755 38 HG SER 4 HG SER 4 11.081 3.604 1.707 39 H CYS 5 H CYS 5 10.940 0.050 4.341 40 HA CYS 5 HA CYS 5 9.747 -2.326 3.143 41 HB2 CYS 5 2HB CYS 5 12.145 -2.278 4.973 42 HB3 CYS 5 1HB CYS 5 11.330 -3.714 4.376 43 H CYS 6 H CYS 6 8.280 -3.224 4.306 44 HA CYS 6 HA CYS 6 7.886 -2.477 7.096 45 HB2 CYS 6 2HB CYS 6 6.070 -3.381 4.911 46 HB3 CYS 6 1HB CYS 6 5.546 -3.214 6.589 47 H LEU 7 H LEU 7 7.550 -4.138 8.491 48 HA LEU 7 HA LEU 7 8.219 -6.818 7.509 49 HB2 LEU 7 2HB LEU 7 8.505 -5.653 10.293 50 HB3 LEU 7 1HB LEU 7 8.831 -7.320 9.891 51 HG LEU 7 HG LEU 7 10.682 -6.504 8.374 52 HD11 LEU 7 1HD1 LEU 7 11.588 -4.260 8.732 53 HD12 LEU 7 2HD1 LEU 7 10.193 -3.864 9.735 54 HD13 LEU 7 3HD1 LEU 7 9.975 -4.216 8.023 55 HD21 LEU 7 1HD2 LEU 7 11.142 -7.402 10.580 56 HD22 LEU 7 2HD2 LEU 7 10.888 -5.808 11.292 57 HD23 LEU 7 3HD2 LEU 7 12.248 -6.078 10.202 58 H LYS 8 H LYS 8 5.771 -4.893 8.729 59 HA LYS 8 HA LYS 8 4.082 -7.227 9.309 60 HB2 LYS 8 2HB LYS 8 4.015 -4.507 10.603 61 HB3 LYS 8 1HB LYS 8 2.868 -5.791 10.940 62 HG2 LYS 8 2HG LYS 8 4.756 -7.146 11.813 63 HG3 LYS 8 1HG LYS 8 5.809 -5.757 11.562 64 HD2 LYS 8 2HD LYS 8 3.373 -5.767 13.362 65 HD3 LYS 8 1HD LYS 8 5.014 -6.058 13.912 66 HE2 LYS 8 2HE LYS 8 4.483 -3.793 14.429 67 HE3 LYS 8 1HE LYS 8 5.603 -3.771 13.075 68 HZ1 LYS 8 1HZ LYS 8 2.654 -3.375 12.886 69 HZ2 LYS 8 2HZ LYS 8 3.728 -3.227 11.595 70 HZ3 LYS 8 3HZ LYS 8 3.800 -2.162 12.869 71 H TYR 9 H TYR 9 1.821 -6.814 8.785 72 HA TYR 9 HA TYR 9 1.456 -4.675 6.806 73 HB2 TYR 9 2HB TYR 9 -0.519 -7.035 7.036 74 HB3 TYR 9 1HB TYR 9 -0.205 -5.913 5.788 75 HD1 TYR 9 1HD TYR 9 1.319 -6.264 4.095 76 HD2 TYR 9 2HD TYR 9 1.172 -8.931 7.378 77 HE1 TYR 9 1HE TYR 9 2.697 -7.873 2.835 78 HE2 TYR 9 2HE TYR 9 2.536 -10.557 6.145 79 HH TYR 9 HH TYR 9 4.143 -9.784 3.220 80 H THR 10 H THR 10 -0.672 -3.544 7.025 81 HA THR 10 HA THR 10 -1.193 -2.972 9.713 82 HB THR 10 HB THR 10 -1.400 -1.208 8.029 83 HG1 THR 10 1HG THR 10 -3.199 -0.280 8.906 84 HG21 THR 10 1HG2 THR 10 -3.317 -1.140 6.481 85 HG22 THR 10 2HG2 THR 10 -3.811 -2.746 7.023 86 HG23 THR 10 3HG2 THR 10 -2.287 -2.534 6.161 87 H LYS 11 H LYS 11 -3.055 -3.228 10.892 88 HA LYS 11 HA LYS 11 -4.524 -5.692 10.326 89 HB2 LYS 11 2HB LYS 11 -3.374 -5.079 12.572 90 HB3 LYS 11 1HB LYS 11 -4.657 -3.917 12.786 91 HG2 LYS 11 2HG LYS 11 -5.072 -6.907 12.556 92 HG3 LYS 11 1HG LYS 11 -4.925 -6.042 14.076 93 HD2 LYS 11 2HD LYS 11 -6.962 -4.763 13.479 94 HD3 LYS 11 1HD LYS 11 -7.093 -5.708 12.000 95 HE2 LYS 11 2HE LYS 11 -7.183 -6.802 14.815 96 HE3 LYS 11 1HE LYS 11 -8.569 -6.581 13.751 97 HZ1 LYS 11 1HZ LYS 11 -7.808 -8.880 13.754 98 HZ2 LYS 11 2HZ LYS 11 -6.276 -8.415 13.289 99 HZ3 LYS 11 3HZ LYS 11 -7.561 -8.227 12.222 100 H ARG 12 H ARG 12 -4.803 -2.291 10.003 101 HA ARG 12 HA ARG 12 -7.709 -2.509 9.892 102 HB2 ARG 12 2HB ARG 12 -6.847 -1.028 11.707 103 HB3 ARG 12 1HB ARG 12 -6.094 -0.022 10.477 104 HG2 ARG 12 2HG ARG 12 -8.173 0.983 11.175 105 HG3 ARG 12 1HG ARG 12 -8.325 0.404 9.511 106 HD2 ARG 12 2HD ARG 12 -9.388 -1.660 10.352 107 HD3 ARG 12 1HD ARG 12 -9.304 -1.004 11.986 108 HE ARG 12 HE ARG 12 -10.637 0.772 10.279 109 HH11 ARG 12 1HH1 ARG 12 -11.036 -2.343 11.883 110 HH12 ARG 12 2HH1 ARG 12 -12.731 -2.280 11.956 111 HH21 ARG 12 1HH2 ARG 12 -12.978 0.894 10.343 112 HH22 ARG 12 2HH2 ARG 12 -13.882 -0.357 11.048 113 HA PRO 13 HA PRO 13 -7.005 -1.835 5.439 114 HB2 PRO 13 2HB PRO 13 -9.951 -1.414 5.666 115 HB3 PRO 13 1HB PRO 13 -9.039 -2.400 4.514 116 HG2 PRO 13 2HG PRO 13 -10.333 -3.573 6.485 117 HG3 PRO 13 1HG PRO 13 -8.699 -4.103 6.044 118 HD2 PRO 13 2HD PRO 13 -9.573 -2.412 8.350 119 HD3 PRO 13 1HD PRO 13 -8.357 -3.713 8.289 120 H LEU 14 H LEU 14 -6.633 0.027 4.419 121 HA LEU 14 HA LEU 14 -7.434 2.554 5.618 122 HB2 LEU 14 2HB LEU 14 -5.041 2.072 4.980 123 HB3 LEU 14 1HB LEU 14 -5.563 1.945 3.322 124 HG LEU 14 HG LEU 14 -6.207 4.314 3.365 125 HD11 LEU 14 1HD1 LEU 14 -5.469 5.707 5.224 126 HD12 LEU 14 2HD1 LEU 14 -4.938 4.271 6.098 127 HD13 LEU 14 3HD1 LEU 14 -6.650 4.518 5.766 128 HD21 LEU 14 1HD2 LEU 14 -3.377 3.699 4.193 129 HD22 LEU 14 2HD2 LEU 14 -3.915 5.153 3.351 130 HD23 LEU 14 3HD2 LEU 14 -4.030 3.580 2.566 131 HA PRO 15 HA PRO 15 -10.497 2.903 2.298 132 HB2 PRO 15 2HB PRO 15 -10.491 5.791 2.817 133 HB3 PRO 15 1HB PRO 15 -11.807 4.627 2.996 134 HG2 PRO 15 2HG PRO 15 -10.616 5.758 5.134 135 HG3 PRO 15 1HG PRO 15 -11.225 4.095 5.161 136 HD2 PRO 15 2HD PRO 15 -8.429 5.084 4.807 137 HD3 PRO 15 1HD PRO 15 -9.033 3.720 5.784 138 H LEU 16 H LEU 16 -10.225 3.230 0.199 139 HA LEU 16 HA LEU 16 -7.792 4.117 -0.895 140 HB2 LEU 16 2HB LEU 16 -9.075 2.474 -2.013 141 HB3 LEU 16 1HB LEU 16 -10.464 3.561 -2.144 142 HG LEU 16 HG LEU 16 -9.075 4.931 -3.663 143 HD11 LEU 16 1HD1 LEU 16 -7.059 3.827 -4.642 144 HD12 LEU 16 2HD1 LEU 16 -7.173 2.626 -3.360 145 HD13 LEU 16 3HD1 LEU 16 -6.874 4.303 -2.950 146 HD21 LEU 16 1HD2 LEU 16 -9.522 2.063 -4.352 147 HD22 LEU 16 2HD2 LEU 16 -9.324 3.408 -5.511 148 HD23 LEU 16 3HD2 LEU 16 -10.692 3.401 -4.389 149 H LYS 17 H LYS 17 -10.788 5.587 -0.320 150 HA LYS 17 HA LYS 17 -10.586 7.903 -1.866 151 HB2 LYS 17 2HB LYS 17 -12.020 7.448 0.742 152 HB3 LYS 17 1HB LYS 17 -12.276 8.838 -0.310 153 HG2 LYS 17 2HG LYS 17 -13.028 7.355 -2.104 154 HG3 LYS 17 1HG LYS 17 -12.768 5.960 -1.065 155 HD2 LYS 17 2HD LYS 17 -14.678 8.218 -0.478 156 HD3 LYS 17 1HD LYS 17 -15.150 6.684 -1.206 157 HE2 LYS 17 2HE LYS 17 -14.388 5.503 0.802 158 HE3 LYS 17 1HE LYS 17 -13.897 7.034 1.523 159 HZ1 LYS 17 1HZ LYS 17 -16.672 6.320 0.753 160 HZ2 LYS 17 2HZ LYS 17 -16.205 7.744 1.527 161 HZ3 LYS 17 3HZ LYS 17 -16.063 6.265 2.314 162 H ARG 18 H ARG 18 -8.647 6.977 0.633 163 HA ARG 18 HA ARG 18 -7.829 9.779 1.275 164 HB2 ARG 18 2HB ARG 18 -7.799 7.419 3.152 165 HB3 ARG 18 1HB ARG 18 -7.155 9.010 3.514 166 HG2 ARG 18 2HG ARG 18 -9.426 9.937 3.279 167 HG3 ARG 18 1HG ARG 18 -10.033 8.302 3.004 168 HD2 ARG 18 2HD ARG 18 -9.169 7.623 5.193 169 HD3 ARG 18 1HD ARG 18 -8.589 9.265 5.465 170 HE ARG 18 HE ARG 18 -11.408 9.028 4.893 171 HH11 ARG 18 1HH1 ARG 18 -8.937 9.206 7.417 172 HH12 ARG 18 2HH1 ARG 18 -10.020 9.649 8.653 173 HH21 ARG 18 1HH2 ARG 18 -12.900 9.654 6.579 174 HH22 ARG 18 2HH2 ARG 18 -12.311 9.916 8.162 175 H ILE 19 H ILE 19 -6.800 7.456 -0.562 176 HA ILE 19 HA ILE 19 -4.063 7.393 0.520 177 HB ILE 19 HB ILE 19 -5.207 5.637 -1.686 178 HG12 ILE 19 2HG1 ILE 19 -4.688 4.905 1.164 179 HG13 ILE 19 1HG1 ILE 19 -6.309 5.294 0.629 180 HG21 ILE 19 1HG2 ILE 19 -2.713 5.425 0.031 181 HG22 ILE 19 2HG2 ILE 19 -2.733 5.841 -1.685 182 HG23 ILE 19 3HG2 ILE 19 -3.232 4.231 -1.146 183 HD11 ILE 19 1HD1 ILE 19 -6.105 3.399 -1.013 184 HD12 ILE 19 2HD1 ILE 19 -6.027 2.903 0.677 185 HD13 ILE 19 3HD1 ILE 19 -4.556 3.042 -0.289 186 H LYS 20 H LYS 20 -2.474 8.405 -0.576 187 HA LYS 20 HA LYS 20 -3.189 9.902 -2.947 188 HB2 LYS 20 2HB LYS 20 -0.582 9.858 -1.406 189 HB3 LYS 20 1HB LYS 20 -0.973 10.953 -2.711 190 HG2 LYS 20 2HG LYS 20 -2.250 10.801 -0.048 191 HG3 LYS 20 1HG LYS 20 -1.198 12.078 -0.669 192 HD2 LYS 20 2HD LYS 20 -3.923 11.305 -1.604 193 HD3 LYS 20 1HD LYS 20 -3.511 12.765 -0.742 194 HE2 LYS 20 2HE LYS 20 -2.532 12.106 -3.534 195 HE3 LYS 20 1HE LYS 20 -3.756 13.296 -3.124 196 HZ1 LYS 20 1HZ LYS 20 -2.052 14.527 -1.871 197 HZ2 LYS 20 2HZ LYS 20 -1.652 14.342 -3.495 198 HZ3 LYS 20 3HZ LYS 20 -0.894 13.399 -2.352 199 H SER 21 H SER 21 -0.850 7.407 -1.944 200 HA SER 21 HA SER 21 -0.627 6.231 -4.493 201 HB2 SER 21 2HB SER 21 1.703 7.991 -3.619 202 HB3 SER 21 1HB SER 21 1.800 6.792 -4.897 203 HG SER 21 HG SER 21 -0.288 8.491 -5.228 204 H TYR 22 H TYR 22 1.318 4.660 -4.416 205 HA TYR 22 HA TYR 22 1.947 3.873 -1.647 206 HB2 TYR 22 2HB TYR 22 1.596 1.543 -2.182 207 HB3 TYR 22 1HB TYR 22 0.108 2.444 -2.400 208 HD1 TYR 22 1HD TYR 22 -1.033 2.289 -4.396 209 HD2 TYR 22 2HD TYR 22 2.975 0.950 -4.278 210 HE1 TYR 22 1HE TYR 22 -1.290 1.308 -6.627 211 HE2 TYR 22 2HE TYR 22 2.737 -0.023 -6.514 212 HH TYR 22 HH TYR 22 0.147 0.668 -8.543 213 H THR 23 H THR 23 3.622 2.243 -1.590 214 HA THR 23 HA THR 23 5.657 2.673 -3.659 215 HB THR 23 HB THR 23 5.962 2.190 -0.693 216 HG1 THR 23 1HG THR 23 6.386 4.418 -2.375 217 HG21 THR 23 1HG2 THR 23 7.720 1.061 -1.953 218 HG22 THR 23 2HG2 THR 23 8.386 2.430 -1.054 219 HG23 THR 23 3HG2 THR 23 8.116 2.552 -2.800 220 H ILE 24 H ILE 24 6.601 0.832 -4.484 221 HA ILE 24 HA ILE 24 5.222 -1.646 -3.910 222 HB ILE 24 HB ILE 24 7.376 -1.077 -5.974 223 HG12 ILE 24 2HG1 ILE 24 4.381 -1.191 -6.325 224 HG13 ILE 24 1HG1 ILE 24 5.311 0.304 -6.275 225 HG21 ILE 24 1HG2 ILE 24 5.414 -3.366 -5.717 226 HG22 ILE 24 2HG2 ILE 24 7.151 -3.449 -5.419 227 HG23 ILE 24 3HG2 ILE 24 6.545 -3.132 -7.046 228 HD11 ILE 24 1HD1 ILE 24 5.556 -1.880 -8.339 229 HD12 ILE 24 2HD1 ILE 24 6.494 -0.388 -8.305 230 HD13 ILE 24 3HD1 ILE 24 4.749 -0.326 -8.556 231 H GLN 25 H GLN 25 5.992 -2.716 -2.189 232 HA GLN 25 HA GLN 25 8.867 -2.826 -1.779 233 HB2 GLN 25 2HB GLN 25 7.746 -2.293 0.220 234 HB3 GLN 25 1HB GLN 25 6.545 -3.545 0.047 235 HG2 GLN 25 2HG GLN 25 8.286 -5.223 0.372 236 HG3 GLN 25 1HG GLN 25 9.459 -3.926 0.592 237 HE21 GLN 25 1HE2 GLN 25 8.480 -6.032 2.381 238 HE22 GLN 25 2HE2 GLN 25 7.991 -5.230 3.821 239 H SER 26 H SER 26 9.938 -4.401 -2.584 240 HA SER 26 HA SER 26 8.560 -6.859 -3.255 241 HB2 SER 26 2HB SER 26 9.793 -5.711 -5.059 242 HB3 SER 26 1HB SER 26 11.269 -5.804 -4.103 243 HG SER 26 HG SER 26 9.761 -8.041 -4.965 244 H ASN 27 H ASN 27 9.344 -8.846 -2.467 245 HA ASN 27 HA ASN 27 10.707 -8.626 0.058 246 HB2 ASN 27 2HB ASN 27 10.292 -11.006 0.397 247 HB3 ASN 27 1HB ASN 27 8.823 -10.226 -0.162 248 HD21 ASN 27 1HD2 ASN 27 8.022 -10.753 -2.223 249 HD22 ASN 27 2HD2 ASN 27 8.647 -12.110 -3.079 250 H GLU 28 H GLU 28 11.829 -8.637 -2.939 251 HA GLU 28 HA GLU 28 14.098 -10.326 -2.720 252 HB2 GLU 28 2HB GLU 28 13.738 -7.829 -4.382 253 HB3 GLU 28 1HB GLU 28 14.952 -9.073 -4.631 254 HG2 GLU 28 2HG GLU 28 11.974 -9.379 -4.965 255 HG3 GLU 28 1HG GLU 28 13.169 -9.277 -6.252 256 H ALA 29 H ALA 29 13.406 -6.944 -2.012 257 HA ALA 29 HA ALA 29 16.118 -6.598 -0.917 258 HB1 ALA 29 1HB ALA 29 15.713 -4.197 -1.087 259 HB2 ALA 29 2HB ALA 29 14.073 -4.509 -1.654 260 HB3 ALA 29 3HB ALA 29 15.452 -4.994 -2.639 261 H CYS 30 H CYS 30 12.749 -6.584 -0.066 262 HA CYS 30 HA CYS 30 13.428 -5.828 2.690 263 HB2 CYS 30 2HB CYS 30 10.748 -5.928 1.316 264 HB3 CYS 30 1HB CYS 30 11.076 -5.322 2.934 265 H ASN 31 H ASN 31 12.211 -7.080 4.332 266 HA ASN 31 HA ASN 31 12.709 -9.814 3.979 267 HB2 ASN 31 2HB ASN 31 11.044 -8.451 6.106 268 HB3 ASN 31 1HB ASN 31 11.504 -10.148 6.138 269 HD21 ASN 31 1HD2 ASN 31 12.142 -8.013 8.016 270 HD22 ASN 31 2HD2 ASN 31 13.859 -7.927 8.085 271 H ILE 32 H ILE 32 9.748 -7.984 3.602 272 HA ILE 32 HA ILE 32 8.508 -10.399 2.458 273 HB ILE 32 HB ILE 32 6.340 -9.843 3.457 274 HG12 ILE 32 2HG1 ILE 32 7.813 -7.624 4.902 275 HG13 ILE 32 1HG1 ILE 32 6.659 -7.398 3.594 276 HG21 ILE 32 1HG2 ILE 32 8.559 -9.939 5.441 277 HG22 ILE 32 2HG2 ILE 32 7.785 -11.341 4.704 278 HG23 ILE 32 3HG2 ILE 32 6.870 -10.297 5.820 279 HD11 ILE 32 1HD1 ILE 32 6.057 -8.568 6.301 280 HD12 ILE 32 2HD1 ILE 32 4.895 -8.329 4.995 281 HD13 ILE 32 3HD1 ILE 32 5.663 -6.938 5.758 282 H LYS 33 H LYS 33 6.387 -9.657 1.315 283 HA LYS 33 HA LYS 33 6.939 -7.223 -0.191 284 HB2 LYS 33 2HB LYS 33 6.591 -9.286 -1.517 285 HB3 LYS 33 1HB LYS 33 5.037 -9.533 -0.735 286 HG2 LYS 33 2HG LYS 33 4.224 -7.436 -1.748 287 HG3 LYS 33 1HG LYS 33 5.775 -7.247 -2.550 288 HD2 LYS 33 2HD LYS 33 5.424 -9.335 -3.768 289 HD3 LYS 33 1HD LYS 33 3.881 -9.567 -2.940 290 HE2 LYS 33 2HE LYS 33 3.012 -7.533 -3.936 291 HE3 LYS 33 1HE LYS 33 4.562 -7.216 -4.704 292 HZ1 LYS 33 1HZ LYS 33 2.720 -9.476 -5.281 293 HZ2 LYS 33 2HZ LYS 33 4.244 -9.304 -5.980 294 HZ3 LYS 33 3HZ LYS 33 3.031 -8.171 -6.276 295 H ALA 34 H ALA 34 6.001 -5.518 0.838 296 HA ALA 34 HA ALA 34 3.197 -5.741 1.607 297 HB1 ALA 34 1HB ALA 34 4.493 -6.006 3.687 298 HB2 ALA 34 2HB ALA 34 3.652 -4.458 3.669 299 HB3 ALA 34 3HB ALA 34 5.374 -4.525 3.320 300 H ILE 35 H ILE 35 2.297 -4.336 0.231 301 HA ILE 35 HA ILE 35 3.722 -2.186 -0.961 302 HB ILE 35 HB ILE 35 0.726 -2.603 -0.761 303 HG12 ILE 35 2HG1 ILE 35 1.872 -4.500 -1.774 304 HG13 ILE 35 1HG1 ILE 35 0.902 -3.643 -2.972 305 HG21 ILE 35 1HG2 ILE 35 0.601 -1.148 -2.784 306 HG22 ILE 35 2HG2 ILE 35 2.326 -0.858 -2.653 307 HG23 ILE 35 3HG2 ILE 35 1.248 -0.305 -1.386 308 HD11 ILE 35 1HD1 ILE 35 2.985 -4.341 -3.903 309 HD12 ILE 35 2HD1 ILE 35 3.901 -3.515 -2.631 310 HD13 ILE 35 3HD1 ILE 35 2.972 -2.578 -3.807 311 H ILE 36 H ILE 36 3.986 -0.073 -0.294 312 HA ILE 36 HA ILE 36 2.860 0.473 2.339 313 HB ILE 36 HB ILE 36 5.085 2.023 0.969 314 HG12 ILE 36 2HG1 ILE 36 6.539 0.981 2.855 315 HG13 ILE 36 1HG1 ILE 36 5.256 -0.216 2.976 316 HG21 ILE 36 1HG2 ILE 36 3.892 3.369 2.540 317 HG22 ILE 36 2HG2 ILE 36 5.522 2.974 3.122 318 HG23 ILE 36 3HG2 ILE 36 4.122 2.128 3.790 319 HD11 ILE 36 1HD1 ILE 36 5.626 -0.819 0.676 320 HD12 ILE 36 2HD1 ILE 36 7.097 -0.955 1.663 321 HD13 ILE 36 3HD1 ILE 36 6.876 0.430 0.573 322 H PHE 37 H PHE 37 1.128 1.499 2.299 323 HA PHE 37 HA PHE 37 0.268 3.233 0.137 324 HB2 PHE 37 2HB PHE 37 -0.932 2.107 2.636 325 HB3 PHE 37 1HB PHE 37 -1.738 3.408 1.757 326 HD1 PHE 37 1HD PHE 37 0.116 0.614 0.260 327 HD2 PHE 37 2HD PHE 37 -3.640 2.239 1.183 328 HE1 PHE 37 1HE PHE 37 -0.996 -1.080 -1.221 329 HE2 PHE 37 2HE PHE 37 -4.742 0.593 -0.257 330 HZ PHE 37 HZ PHE 37 -3.420 -1.056 -1.454 331 H THR 38 H THR 38 0.045 5.332 0.287 332 HA THR 38 HA THR 38 0.772 6.547 2.840 333 HB THR 38 HB THR 38 1.436 7.619 0.078 334 HG1 THR 38 1HG THR 38 2.560 5.757 1.471 335 HG21 THR 38 1HG2 THR 38 1.059 9.353 1.721 336 HG22 THR 38 2HG2 THR 38 2.797 9.253 1.371 337 HG23 THR 38 3HG2 THR 38 2.126 8.551 2.859 338 H THR 39 H THR 39 -0.681 8.007 3.610 339 HA THR 39 HA THR 39 -3.135 8.225 2.135 340 HB THR 39 HB THR 39 -3.890 9.494 4.198 341 HG1 THR 39 1HG THR 39 -2.481 8.862 6.045 342 HG21 THR 39 1HG2 THR 39 -4.445 7.170 3.862 343 HG22 THR 39 2HG2 THR 39 -4.091 7.466 5.564 344 HG23 THR 39 3HG2 THR 39 -2.890 6.680 4.536 345 H LYS 40 H LYS 40 -4.263 10.463 2.436 346 HA LYS 40 HA LYS 40 -2.721 12.385 1.043 347 HB2 LYS 40 2HB LYS 40 -5.228 12.860 2.607 348 HB3 LYS 40 1HB LYS 40 -4.681 13.806 1.229 349 HG2 LYS 40 2HG LYS 40 -5.008 11.480 -0.099 350 HG3 LYS 40 1HG LYS 40 -5.923 11.098 1.312 351 HD2 LYS 40 2HD LYS 40 -7.477 12.863 0.972 352 HD3 LYS 40 1HD LYS 40 -6.462 13.524 -0.323 353 HE2 LYS 40 2HE LYS 40 -6.843 11.595 -1.688 354 HE3 LYS 40 1HE LYS 40 -7.753 10.805 -0.411 355 HZ1 LYS 40 1HZ LYS 40 -9.395 12.567 -0.572 356 HZ2 LYS 40 2HZ LYS 40 -9.203 11.736 -2.042 357 HZ3 LYS 40 3HZ LYS 40 -8.537 13.283 -1.838 358 H LYS 41 H LYS 41 -3.162 11.610 4.315 359 HA LYS 41 HA LYS 41 -2.059 14.067 5.345 360 HB2 LYS 41 2HB LYS 41 -2.437 11.356 6.622 361 HB3 LYS 41 1HB LYS 41 -1.895 12.762 7.489 362 HG2 LYS 41 2HG LYS 41 -4.449 12.334 6.140 363 HG3 LYS 41 1HG LYS 41 -4.225 12.390 7.889 364 HD2 LYS 41 2HD LYS 41 -3.510 14.778 7.652 365 HD3 LYS 41 1HD LYS 41 -3.868 14.686 5.929 366 HE2 LYS 41 2HE LYS 41 -6.209 14.160 6.469 367 HE3 LYS 41 1HE LYS 41 -5.819 14.318 8.181 368 HZ1 LYS 41 1HZ LYS 41 -5.196 16.646 7.750 369 HZ2 LYS 41 2HZ LYS 41 -6.792 16.341 7.394 370 HZ3 LYS 41 3HZ LYS 41 -5.683 16.475 6.141 371 H GLY 42 H GLY 42 -0.936 11.389 3.775 372 HA2 GLY 42 2HA GLY 42 1.146 11.023 2.972 373 HA3 GLY 42 1HA GLY 42 1.739 12.316 3.981 374 H ARG 43 H ARG 43 -0.070 10.007 5.713 375 HA ARG 43 HA ARG 43 2.146 9.054 7.164 376 HB2 ARG 43 2HB ARG 43 -0.118 9.353 8.077 377 HB3 ARG 43 1HB ARG 43 -0.683 8.143 6.923 378 HG2 ARG 43 2HG ARG 43 0.596 6.461 7.955 379 HG3 ARG 43 1HG ARG 43 1.308 7.629 9.079 380 HD2 ARG 43 2HD ARG 43 -0.876 8.022 10.091 381 HD3 ARG 43 1HD ARG 43 -1.633 6.934 8.925 382 HE ARG 43 HE ARG 43 0.113 5.307 10.037 383 HH11 ARG 43 1HH1 ARG 43 -2.086 7.572 11.634 384 HH12 ARG 43 2HH1 ARG 43 -2.263 6.585 13.024 385 HH21 ARG 43 1HH2 ARG 43 -0.154 3.994 11.959 386 HH22 ARG 43 2HH2 ARG 43 -1.154 4.573 13.209 387 H LYS 44 H LYS 44 3.021 6.910 7.124 388 HA LYS 44 HA LYS 44 2.663 5.491 4.593 389 HB2 LYS 44 2HB LYS 44 4.752 5.162 6.761 390 HB3 LYS 44 1HB LYS 44 4.722 4.284 5.236 391 HG2 LYS 44 2HG LYS 44 5.003 7.268 5.513 392 HG3 LYS 44 1HG LYS 44 6.331 6.141 5.220 393 HD2 LYS 44 2HD LYS 44 5.356 5.509 3.096 394 HD3 LYS 44 1HD LYS 44 3.941 6.514 3.412 395 HE2 LYS 44 2HE LYS 44 5.328 8.500 3.406 396 HE3 LYS 44 1HE LYS 44 6.766 7.516 3.148 397 HZ1 LYS 44 1HZ LYS 44 4.475 7.670 1.251 398 HZ2 LYS 44 2HZ LYS 44 5.943 6.864 1.020 399 HZ3 LYS 44 3HZ LYS 44 5.924 8.536 1.124 400 H ILE 45 H ILE 45 1.473 3.765 4.489 401 HA ILE 45 HA ILE 45 0.782 2.297 6.948 402 HB ILE 45 HB ILE 45 -0.882 2.656 4.431 403 HG12 ILE 45 2HG1 ILE 45 -2.577 3.754 6.070 404 HG13 ILE 45 1HG1 ILE 45 -1.215 3.863 7.178 405 HG21 ILE 45 1HG2 ILE 45 -1.585 1.127 6.921 406 HG22 ILE 45 2HG2 ILE 45 -1.261 0.464 5.321 407 HG23 ILE 45 3HG2 ILE 45 -2.685 1.466 5.591 408 HD11 ILE 45 1HD1 ILE 45 -1.606 5.933 6.047 409 HD12 ILE 45 2HD1 ILE 45 -1.382 5.143 4.483 410 HD13 ILE 45 3HD1 ILE 45 -0.037 5.258 5.616 411 H CYS 46 H CYS 46 1.465 0.241 6.921 412 HA CYS 46 HA CYS 46 2.565 -0.897 4.470 413 HB2 CYS 46 2HB CYS 46 2.428 -1.977 7.283 414 HB3 CYS 46 1HB CYS 46 3.390 -2.665 5.988 415 H ALA 47 H ALA 47 1.190 -1.998 3.143 416 HA ALA 47 HA ALA 47 -1.100 -3.253 4.483 417 HB1 ALA 47 1HB ALA 47 -1.016 -2.082 1.714 418 HB2 ALA 47 2HB ALA 47 -1.711 -1.304 3.133 419 HB3 ALA 47 3HB ALA 47 -2.414 -2.798 2.515 420 H ASN 48 H ASN 48 -1.728 -5.265 3.933 421 HA ASN 48 HA ASN 48 0.155 -6.963 2.702 422 HB2 ASN 48 2HB ASN 48 -1.029 -7.822 4.528 423 HB3 ASN 48 1HB ASN 48 -2.594 -7.360 3.923 424 HD21 ASN 48 1HD2 ASN 48 -0.014 -8.941 2.213 425 HD22 ASN 48 2HD2 ASN 48 -0.856 -10.415 1.865 426 HA PRO 49 HA PRO 49 -1.312 -5.991 -1.448 427 HB2 PRO 49 2HB PRO 49 0.319 -7.781 -2.685 428 HB3 PRO 49 1HB PRO 49 0.793 -6.135 -2.280 429 HG2 PRO 49 2HG PRO 49 1.396 -8.684 -0.847 430 HG3 PRO 49 1HG PRO 49 2.412 -7.247 -1.069 431 HD2 PRO 49 2HD PRO 49 1.183 -7.771 1.243 432 HD3 PRO 49 1HD PRO 49 1.411 -6.111 0.665 433 H ASN 50 H ASN 50 -1.160 -9.196 0.016 434 HA ASN 50 HA ASN 50 -2.563 -10.419 -1.957 435 HB2 ASN 50 2HB ASN 50 -2.388 -11.206 0.934 436 HB3 ASN 50 1HB ASN 50 -2.786 -12.231 -0.456 437 HD21 ASN 50 1HD2 ASN 50 -1.203 -12.324 -2.030 438 HD22 ASN 50 2HD2 ASN 50 0.478 -12.453 -1.673 439 H GLU 51 H GLU 51 -3.569 -8.112 0.357 440 HA GLU 51 HA GLU 51 -6.215 -9.160 0.730 441 HB2 GLU 51 2HB GLU 51 -5.226 -6.385 1.369 442 HB3 GLU 51 1HB GLU 51 -6.741 -7.084 1.891 443 HG2 GLU 51 2HG GLU 51 -5.105 -8.881 2.975 444 HG3 GLU 51 1HG GLU 51 -3.993 -7.551 2.799 445 H LYS 52 H LYS 52 -7.977 -8.716 -0.305 446 HA LYS 52 HA LYS 52 -7.989 -7.923 -2.941 447 HB2 LYS 52 2HB LYS 52 -9.741 -9.278 -1.956 448 HB3 LYS 52 1HB LYS 52 -10.248 -7.941 -0.942 449 HG2 LYS 52 2HG LYS 52 -10.894 -6.691 -2.961 450 HG3 LYS 52 1HG LYS 52 -10.442 -8.089 -3.942 451 HD2 LYS 52 2HD LYS 52 -12.065 -9.452 -2.774 452 HD3 LYS 52 1HD LYS 52 -12.493 -8.088 -1.747 453 HE2 LYS 52 2HE LYS 52 -13.255 -6.853 -3.731 454 HE3 LYS 52 1HE LYS 52 -12.857 -8.246 -4.736 455 HZ1 LYS 52 1HZ LYS 52 -14.859 -8.206 -2.547 456 HZ2 LYS 52 2HZ LYS 52 -14.494 -9.548 -3.497 457 HZ3 LYS 52 3HZ LYS 52 -15.208 -8.195 -4.180 458 H TRP 53 H TRP 53 -8.632 -5.962 -0.048 459 HA TRP 53 HA TRP 53 -9.550 -3.729 -1.499 460 HB2 TRP 53 2HB TRP 53 -9.362 -2.391 0.505 461 HB3 TRP 53 1HB TRP 53 -9.991 -3.963 0.945 462 HD1 TRP 53 HD TRP 53 -8.308 -5.557 2.459 463 HE1 TRP 53 1HE TRP 53 -6.333 -4.945 3.961 464 HE3 TRP 53 3HE TRP 53 -7.423 -0.802 0.795 465 HZ2 TRP 53 2HZ TRP 53 -4.638 -2.781 4.420 466 HZ3 TRP 53 3HZ TRP 53 -5.588 0.464 1.837 467 HH2 TRP 53 HH TRP 53 -4.232 -0.503 3.608 468 H VAL 54 H VAL 54 -6.373 -4.757 -0.568 469 HA VAL 54 HA VAL 54 -4.987 -2.385 -1.282 470 HB VAL 54 HB VAL 54 -4.001 -5.244 -0.979 471 HG11 VAL 54 1HG1 VAL 54 -2.408 -2.693 -1.190 472 HG12 VAL 54 2HG1 VAL 54 -2.434 -3.999 -2.374 473 HG13 VAL 54 3HG1 VAL 54 -1.755 -4.250 -0.749 474 HG21 VAL 54 1HG2 VAL 54 -3.854 -2.882 0.867 475 HG22 VAL 54 2HG2 VAL 54 -3.168 -4.477 1.171 476 HG23 VAL 54 3HG2 VAL 54 -4.919 -4.271 1.048 477 H GLN 55 H GLN 55 -5.769 -5.381 -2.889 478 HA GLN 55 HA GLN 55 -4.287 -4.898 -5.214 479 HB2 GLN 55 2HB GLN 55 -6.697 -6.652 -4.842 480 HB3 GLN 55 1HB GLN 55 -5.580 -6.724 -6.210 481 HG2 GLN 55 2HG GLN 55 -3.747 -7.053 -4.564 482 HG3 GLN 55 1HG GLN 55 -4.981 -7.241 -3.331 483 HE21 GLN 55 1HE2 GLN 55 -2.990 -8.968 -4.159 484 HE22 GLN 55 2HE2 GLN 55 -3.676 -10.415 -4.748 485 H LYS 56 H LYS 56 -7.553 -4.047 -4.241 486 HA LYS 56 HA LYS 56 -8.450 -3.037 -6.727 487 HB2 LYS 56 2HB LYS 56 -9.968 -3.651 -4.841 488 HB3 LYS 56 1HB LYS 56 -9.282 -2.338 -3.909 489 HG2 LYS 56 2HG LYS 56 -10.068 -0.731 -5.525 490 HG3 LYS 56 1HG LYS 56 -10.772 -2.038 -6.483 491 HD2 LYS 56 2HD LYS 56 -12.239 -2.616 -4.627 492 HD3 LYS 56 1HD LYS 56 -11.531 -1.325 -3.647 493 HE2 LYS 56 2HE LYS 56 -12.313 0.330 -5.280 494 HE3 LYS 56 1HE LYS 56 -13.031 -0.957 -6.243 495 HZ1 LYS 56 1HZ LYS 56 -14.522 -1.439 -4.372 496 HZ2 LYS 56 2HZ LYS 56 -14.672 0.158 -4.882 497 HZ3 LYS 56 3HZ LYS 56 -13.829 -0.186 -3.482 498 H ALA 57 H ALA 57 -7.023 -1.633 -3.805 499 HA ALA 57 HA ALA 57 -7.051 1.039 -4.565 500 HB1 ALA 57 1HB ALA 57 -5.353 1.379 -2.848 501 HB2 ALA 57 2HB ALA 57 -5.054 -0.345 -2.767 502 HB3 ALA 57 3HB ALA 57 -6.621 0.297 -2.265 503 H MET 58 H MET 58 -4.503 -1.380 -4.930 504 HA MET 58 HA MET 58 -2.684 0.313 -6.061 505 HB2 MET 58 2HB MET 58 -2.906 -2.665 -6.356 506 HB3 MET 58 1HB MET 58 -1.572 -1.752 -7.036 507 HG2 MET 58 2HG MET 58 -1.116 -0.904 -4.715 508 HG3 MET 58 1HG MET 58 -2.305 -2.073 -4.141 509 HE1 MET 58 1HE MET 58 -0.552 -5.450 -5.132 510 HE2 MET 58 2HE MET 58 -1.765 -4.590 -6.085 511 HE3 MET 58 3HE MET 58 -1.962 -4.747 -4.334 512 H LYS 59 H LYS 59 -5.255 -1.521 -7.618 513 HA LYS 59 HA LYS 59 -4.345 -1.093 -10.226 514 HB2 LYS 59 2HB LYS 59 -5.846 -2.923 -9.542 515 HB3 LYS 59 1HB LYS 59 -7.084 -1.743 -9.143 516 HG2 LYS 59 2HG LYS 59 -7.326 -1.133 -11.431 517 HG3 LYS 59 1HG LYS 59 -5.949 -2.137 -11.902 518 HD2 LYS 59 2HD LYS 59 -8.032 -3.268 -12.434 519 HD3 LYS 59 1HD LYS 59 -7.188 -4.131 -11.155 520 HE2 LYS 59 2HE LYS 59 -8.668 -3.060 -9.493 521 HE3 LYS 59 1HE LYS 59 -9.502 -2.232 -10.809 522 HZ1 LYS 59 1HZ LYS 59 -10.717 -4.205 -10.146 523 HZ2 LYS 59 2HZ LYS 59 -9.349 -5.154 -10.405 524 HZ3 LYS 59 3HZ LYS 59 -10.109 -4.412 -11.702 525 H HIS 60 H HIS 60 -6.517 0.631 -8.026 526 HA HIS 60 HA HIS 60 -7.340 2.529 -9.965 527 HB2 HIS 60 2HB HIS 60 -8.774 2.011 -8.103 528 HB3 HIS 60 1HB HIS 60 -7.516 2.428 -6.956 529 HD1 HIS 60 1HD HIS 60 -9.850 4.070 -9.449 530 HD2 HIS 60 2HD HIS 60 -7.528 4.973 -6.167 531 HE1 HIS 60 1HE HIS 60 -10.451 6.445 -8.864 532 HE2 HIS 60 2HE HIS 60 -8.775 7.059 -7.096 533 H LEU 61 H LEU 61 -4.815 2.429 -7.516 534 HA LEU 61 HA LEU 61 -4.044 5.164 -7.834 535 HB2 LEU 61 2HB LEU 61 -2.694 2.841 -6.495 536 HB3 LEU 61 1HB LEU 61 -2.049 4.470 -6.476 537 HG LEU 61 HG LEU 61 -4.756 3.726 -5.351 538 HD11 LEU 61 1HD1 LEU 61 -2.117 4.125 -3.946 539 HD12 LEU 61 2HD1 LEU 61 -3.006 2.599 -4.104 540 HD13 LEU 61 3HD1 LEU 61 -3.687 3.924 -3.170 541 HD21 LEU 61 1HD2 LEU 61 -3.028 6.171 -5.065 542 HD22 LEU 61 2HD2 LEU 61 -4.567 5.905 -4.251 543 HD23 LEU 61 3HD2 LEU 61 -4.514 6.077 -6.011 544 H ASP 62 H ASP 62 -3.150 2.213 -9.426 545 HA ASP 62 HA ASP 62 -0.701 3.206 -10.524 546 HB2 ASP 62 2HB ASP 62 -1.187 0.769 -10.331 547 HB3 ASP 62 1HB ASP 62 -2.466 0.946 -11.521 548 H LYS 63 H LYS 63 -3.985 3.679 -11.207 549 HA LYS 63 HA LYS 63 -3.557 4.523 -13.934 550 HB2 LYS 63 2HB LYS 63 -6.097 4.493 -12.300 551 HB3 LYS 63 1HB LYS 63 -5.981 4.750 -14.035 552 HG2 LYS 63 2HG LYS 63 -5.117 2.479 -14.308 553 HG3 LYS 63 1HG LYS 63 -5.238 2.233 -12.570 554 HD2 LYS 63 2HD LYS 63 -7.677 2.671 -12.742 555 HD3 LYS 63 1HD LYS 63 -7.495 2.743 -14.496 556 HE2 LYS 63 2HE LYS 63 -6.540 0.439 -14.425 557 HE3 LYS 63 1HE LYS 63 -6.897 0.406 -12.699 558 HZ1 LYS 63 1HZ LYS 63 -8.642 -0.676 -13.973 559 HZ2 LYS 63 2HZ LYS 63 -8.897 0.718 -14.875 560 HZ3 LYS 63 3HZ LYS 63 -9.254 0.711 -13.228 561 H LYS 64 H LYS 64 -2.973 5.838 -11.072 562 HA LYS 64 HA LYS 64 -4.202 8.432 -11.563 563 HB2 LYS 64 2HB LYS 64 -4.433 7.391 -9.302 564 HB3 LYS 64 1HB LYS 64 -2.685 7.425 -9.149 565 HG2 LYS 64 2HG LYS 64 -2.752 9.884 -9.351 566 HG3 LYS 64 1HG LYS 64 -4.507 9.794 -9.393 567 HD2 LYS 64 2HD LYS 64 -4.536 8.779 -7.184 568 HD3 LYS 64 1HD LYS 64 -2.773 8.812 -7.128 569 HE2 LYS 64 2HE LYS 64 -4.607 11.201 -7.296 570 HE3 LYS 64 1HE LYS 64 -3.694 10.680 -5.880 571 HZ1 LYS 64 1HZ LYS 64 -1.630 11.113 -7.148 572 HZ2 LYS 64 2HZ LYS 64 -2.588 12.487 -7.016 573 HZ3 LYS 64 3HZ LYS 64 -2.550 11.633 -8.451 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 17.086 5.972 11.752 2 H2 ALA 1 2HT ALA 1 18.100 6.414 10.485 3 H3 ALA 1 3HT ALA 1 18.680 5.413 11.712 4 HA ALA 1 HA ALA 1 18.197 4.195 9.701 5 HB1 ALA 1 1HB ALA 1 17.896 3.044 11.851 6 HB2 ALA 1 2HB ALA 1 16.719 2.491 10.659 7 HB3 ALA 1 3HB ALA 1 16.228 3.614 11.923 8 H ARG 2 H ARG 2 16.776 3.737 8.030 9 HA ARG 2 HA ARG 2 14.534 5.619 7.855 10 HB2 ARG 2 2HB ARG 2 16.287 5.952 6.166 11 HB3 ARG 2 1HB ARG 2 16.111 4.282 5.646 12 HG2 ARG 2 2HG ARG 2 13.795 4.759 4.961 13 HG3 ARG 2 1HG ARG 2 14.021 6.434 5.461 14 HD2 ARG 2 2HD ARG 2 15.571 5.012 3.312 15 HD3 ARG 2 1HD ARG 2 14.258 6.158 3.056 16 HE ARG 2 HE ARG 2 16.560 7.065 4.579 17 HH11 ARG 2 1HH1 ARG 2 14.759 7.128 1.525 18 HH12 ARG 2 2HH1 ARG 2 15.657 8.428 0.897 19 HH21 ARG 2 1HH2 ARG 2 17.785 8.863 3.662 20 HH22 ARG 2 2HH2 ARG 2 17.371 9.397 2.102 21 H LYS 3 H LYS 3 12.530 4.880 7.178 22 HA LYS 3 HA LYS 3 12.330 1.990 7.015 23 HB2 LYS 3 2HB LYS 3 11.224 2.832 9.023 24 HB3 LYS 3 1HB LYS 3 10.259 3.920 8.051 25 HG2 LYS 3 2HG LYS 3 9.090 2.093 7.032 26 HG3 LYS 3 1HG LYS 3 10.155 0.924 7.799 27 HD2 LYS 3 2HD LYS 3 8.438 2.822 9.397 28 HD3 LYS 3 1HD LYS 3 7.838 1.265 8.842 29 HE2 LYS 3 2HE LYS 3 8.623 1.156 11.166 30 HE3 LYS 3 1HE LYS 3 9.580 0.121 10.119 31 HZ1 LYS 3 1HZ LYS 3 10.427 2.824 11.061 32 HZ2 LYS 3 2HZ LYS 3 11.397 1.689 10.244 33 HZ3 LYS 3 3HZ LYS 3 10.842 1.378 11.781 34 H SER 4 H SER 4 12.619 1.828 4.883 35 HA SER 4 HA SER 4 10.538 3.008 3.224 36 HB2 SER 4 2HB SER 4 12.134 2.440 1.346 37 HB3 SER 4 1HB SER 4 12.715 3.678 2.464 38 HG SER 4 HG SER 4 14.179 1.934 1.824 39 H CYS 5 H CYS 5 11.163 0.372 4.919 40 HA CYS 5 HA CYS 5 9.625 -1.342 3.133 41 HB2 CYS 5 2HB CYS 5 12.051 -2.193 4.729 42 HB3 CYS 5 1HB CYS 5 10.979 -3.270 3.851 43 H CYS 6 H CYS 6 8.335 -2.858 4.284 44 HA CYS 6 HA CYS 6 7.894 -2.238 7.113 45 HB2 CYS 6 2HB CYS 6 6.116 -3.171 4.910 46 HB3 CYS 6 1HB CYS 6 5.610 -3.067 6.595 47 H LEU 7 H LEU 7 7.455 -3.988 8.491 48 HA LEU 7 HA LEU 7 8.109 -6.652 7.420 49 HB2 LEU 7 2HB LEU 7 8.505 -5.646 10.257 50 HB3 LEU 7 1HB LEU 7 8.819 -7.273 9.718 51 HG LEU 7 HG LEU 7 10.606 -6.278 8.198 52 HD11 LEU 7 1HD1 LEU 7 11.535 -4.125 8.841 53 HD12 LEU 7 2HD1 LEU 7 10.189 -3.869 9.948 54 HD13 LEU 7 3HD1 LEU 7 9.895 -3.971 8.211 55 HD21 LEU 7 1HD2 LEU 7 11.141 -7.493 10.233 56 HD22 LEU 7 2HD2 LEU 7 10.934 -6.015 11.175 57 HD23 LEU 7 3HD2 LEU 7 12.246 -6.138 10.003 58 H LYS 8 H LYS 8 5.616 -4.812 8.253 59 HA LYS 8 HA LYS 8 4.018 -7.031 9.312 60 HB2 LYS 8 2HB LYS 8 3.984 -4.148 10.229 61 HB3 LYS 8 1HB LYS 8 2.802 -5.360 10.678 62 HG2 LYS 8 2HG LYS 8 4.450 -6.623 11.875 63 HG3 LYS 8 1HG LYS 8 5.740 -5.582 11.281 64 HD2 LYS 8 2HD LYS 8 5.104 -5.055 13.601 65 HD3 LYS 8 1HD LYS 8 4.832 -3.696 12.509 66 HE2 LYS 8 2HE LYS 8 2.463 -4.248 12.423 67 HE3 LYS 8 1HE LYS 8 2.723 -5.626 13.491 68 HZ1 LYS 8 1HZ LYS 8 1.904 -3.696 14.710 69 HZ2 LYS 8 2HZ LYS 8 3.214 -2.774 14.192 70 HZ3 LYS 8 3HZ LYS 8 3.444 -4.086 15.211 71 H TYR 9 H TYR 9 1.687 -6.636 8.947 72 HA TYR 9 HA TYR 9 1.118 -4.827 6.694 73 HB2 TYR 9 2HB TYR 9 -0.432 -7.440 7.049 74 HB3 TYR 9 1HB TYR 9 -0.353 -6.344 5.742 75 HD1 TYR 9 1HD TYR 9 1.280 -6.428 4.075 76 HD2 TYR 9 2HD TYR 9 1.500 -9.047 7.387 77 HE1 TYR 9 1HE TYR 9 2.886 -7.825 2.850 78 HE2 TYR 9 2HE TYR 9 3.130 -10.451 6.181 79 HH TYR 9 HH TYR 9 4.616 -9.391 3.307 80 H THR 10 H THR 10 -0.836 -3.752 6.901 81 HA THR 10 HA THR 10 -1.874 -3.497 9.503 82 HB THR 10 HB THR 10 -1.792 -1.540 8.042 83 HG1 THR 10 1HG THR 10 -4.488 -1.545 8.097 84 HG21 THR 10 1HG2 THR 10 -3.287 -1.309 6.098 85 HG22 THR 10 2HG2 THR 10 -3.862 -2.963 6.351 86 HG23 THR 10 3HG2 THR 10 -2.188 -2.678 5.906 87 H LYS 11 H LYS 11 -3.766 -4.286 10.373 88 HA LYS 11 HA LYS 11 -5.213 -6.181 8.714 89 HB2 LYS 11 2HB LYS 11 -5.092 -5.894 11.719 90 HB3 LYS 11 1HB LYS 11 -6.319 -6.868 10.934 91 HG2 LYS 11 2HG LYS 11 -4.515 -8.296 11.678 92 HG3 LYS 11 1HG LYS 11 -4.557 -8.257 9.921 93 HD2 LYS 11 2HD LYS 11 -2.709 -6.591 9.976 94 HD3 LYS 11 1HD LYS 11 -2.652 -6.774 11.730 95 HE2 LYS 11 2HE LYS 11 -2.175 -8.960 9.697 96 HE3 LYS 11 1HE LYS 11 -0.937 -8.130 10.629 97 HZ1 LYS 11 1HZ LYS 11 -1.469 -10.258 11.587 98 HZ2 LYS 11 2HZ LYS 11 -3.093 -9.850 11.736 99 HZ3 LYS 11 3HZ LYS 11 -1.924 -9.035 12.654 100 H ARG 12 H ARG 12 -5.434 -3.065 9.540 101 HA ARG 12 HA ARG 12 -8.351 -3.095 9.324 102 HB2 ARG 12 2HB ARG 12 -7.509 -1.869 11.295 103 HB3 ARG 12 1HB ARG 12 -6.531 -0.849 10.248 104 HG2 ARG 12 2HG ARG 12 -8.567 -0.003 9.178 105 HG3 ARG 12 1HG ARG 12 -9.532 -1.016 10.244 106 HD2 ARG 12 2HD ARG 12 -8.700 0.225 12.178 107 HD3 ARG 12 1HD ARG 12 -7.704 1.224 11.113 108 HE ARG 12 HE ARG 12 -10.274 1.363 10.160 109 HH11 ARG 12 1HH1 ARG 12 -8.593 2.328 13.120 110 HH12 ARG 12 2HH1 ARG 12 -9.633 3.614 13.473 111 HH21 ARG 12 1HH2 ARG 12 -11.707 3.187 10.632 112 HH22 ARG 12 2HH2 ARG 12 -11.462 4.123 12.023 113 HA PRO 13 HA PRO 13 -7.592 -1.816 5.121 114 HB2 PRO 13 2HB PRO 13 -10.182 -1.272 4.444 115 HB3 PRO 13 1HB PRO 13 -9.524 -2.902 4.528 116 HG2 PRO 13 2HG PRO 13 -11.163 -1.430 6.544 117 HG3 PRO 13 1HG PRO 13 -11.277 -3.126 6.027 118 HD2 PRO 13 2HD PRO 13 -10.065 -2.369 8.325 119 HD3 PRO 13 1HD PRO 13 -9.537 -3.784 7.390 120 H LEU 14 H LEU 14 -7.099 0.110 4.269 121 HA LEU 14 HA LEU 14 -7.719 2.581 5.691 122 HB2 LEU 14 2HB LEU 14 -5.352 1.918 5.023 123 HB3 LEU 14 1HB LEU 14 -5.857 2.036 3.362 124 HG LEU 14 HG LEU 14 -6.260 4.454 3.684 125 HD11 LEU 14 1HD1 LEU 14 -5.352 5.545 5.664 126 HD12 LEU 14 2HD1 LEU 14 -4.981 3.983 6.372 127 HD13 LEU 14 3HD1 LEU 14 -6.664 4.450 6.106 128 HD21 LEU 14 1HD2 LEU 14 -3.508 3.459 4.395 129 HD22 LEU 14 2HD2 LEU 14 -3.898 5.050 3.741 130 HD23 LEU 14 3HD2 LEU 14 -4.171 3.605 2.772 131 HA PRO 15 HA PRO 15 -10.750 3.491 2.464 132 HB2 PRO 15 2HB PRO 15 -10.355 6.325 3.227 133 HB3 PRO 15 1HB PRO 15 -11.834 5.360 3.258 134 HG2 PRO 15 2HG PRO 15 -10.606 6.057 5.529 135 HG3 PRO 15 1HG PRO 15 -11.384 4.478 5.344 136 HD2 PRO 15 2HD PRO 15 -8.480 5.182 5.179 137 HD3 PRO 15 1HD PRO 15 -9.277 3.796 5.964 138 H LEU 16 H LEU 16 -10.478 3.947 0.366 139 HA LEU 16 HA LEU 16 -7.914 4.401 -0.652 140 HB2 LEU 16 2HB LEU 16 -9.302 3.052 -1.884 141 HB3 LEU 16 1HB LEU 16 -10.592 4.294 -1.984 142 HG LEU 16 HG LEU 16 -8.891 5.522 -3.389 143 HD11 LEU 16 1HD1 LEU 16 -7.152 4.076 -4.419 144 HD12 LEU 16 2HD1 LEU 16 -7.554 2.836 -3.243 145 HD13 LEU 16 3HD1 LEU 16 -6.897 4.369 -2.696 146 HD21 LEU 16 1HD2 LEU 16 -9.961 2.873 -4.258 147 HD22 LEU 16 2HD2 LEU 16 -9.445 4.197 -5.334 148 HD23 LEU 16 3HD2 LEU 16 -10.799 4.437 -4.223 149 H LYS 17 H LYS 17 -10.645 6.527 -0.297 150 HA LYS 17 HA LYS 17 -9.592 8.586 -1.889 151 HB2 LYS 17 2HB LYS 17 -11.671 8.738 0.289 152 HB3 LYS 17 1HB LYS 17 -11.244 10.077 -0.757 153 HG2 LYS 17 2HG LYS 17 -11.945 8.753 -2.721 154 HG3 LYS 17 1HG LYS 17 -12.430 7.448 -1.637 155 HD2 LYS 17 2HD LYS 17 -14.054 8.926 -0.562 156 HD3 LYS 17 1HD LYS 17 -13.542 10.255 -1.597 157 HE2 LYS 17 2HE LYS 17 -15.606 9.279 -2.427 158 HE3 LYS 17 1HE LYS 17 -14.291 9.001 -3.563 159 HZ1 LYS 17 1HZ LYS 17 -15.691 7.058 -3.261 160 HZ2 LYS 17 2HZ LYS 17 -15.333 6.994 -1.620 161 HZ3 LYS 17 3HZ LYS 17 -14.127 6.718 -2.770 162 H ARG 18 H ARG 18 -8.510 7.457 0.943 163 HA ARG 18 HA ARG 18 -7.328 10.093 1.741 164 HB2 ARG 18 2HB ARG 18 -7.347 7.498 3.284 165 HB3 ARG 18 1HB ARG 18 -6.678 9.017 3.838 166 HG2 ARG 18 2HG ARG 18 -8.956 9.975 3.829 167 HG3 ARG 18 1HG ARG 18 -9.575 8.398 3.340 168 HD2 ARG 18 2HD ARG 18 -8.670 7.385 5.355 169 HD3 ARG 18 1HD ARG 18 -7.984 8.932 5.834 170 HE ARG 18 HE ARG 18 -10.741 9.183 5.426 171 HH11 ARG 18 1HH1 ARG 18 -8.416 7.820 7.732 172 HH12 ARG 18 2HH1 ARG 18 -9.446 7.975 9.070 173 HH21 ARG 18 1HH2 ARG 18 -12.158 9.368 7.283 174 HH22 ARG 18 2HH2 ARG 18 -11.619 8.868 8.813 175 H ILE 19 H ILE 19 -6.604 7.751 -0.255 176 HA ILE 19 HA ILE 19 -3.811 7.467 0.607 177 HB ILE 19 HB ILE 19 -5.296 5.757 -1.420 178 HG12 ILE 19 2HG1 ILE 19 -4.634 5.104 1.432 179 HG13 ILE 19 1HG1 ILE 19 -6.254 5.556 0.933 180 HG21 ILE 19 1HG2 ILE 19 -2.689 5.378 0.071 181 HG22 ILE 19 2HG2 ILE 19 -2.840 5.737 -1.655 182 HG23 ILE 19 3HG2 ILE 19 -3.421 4.197 -1.003 183 HD11 ILE 19 1HD1 ILE 19 -6.232 3.560 -0.601 184 HD12 ILE 19 2HD1 ILE 19 -6.108 3.162 1.119 185 HD13 ILE 19 3HD1 ILE 19 -4.681 3.152 0.080 186 H LYS 20 H LYS 20 -2.321 8.397 -0.612 187 HA LYS 20 HA LYS 20 -3.112 9.777 -3.001 188 HB2 LYS 20 2HB LYS 20 -0.420 9.660 -1.627 189 HB3 LYS 20 1HB LYS 20 -0.801 10.687 -2.986 190 HG2 LYS 20 2HG LYS 20 -1.950 10.792 -0.267 191 HG3 LYS 20 1HG LYS 20 -0.866 11.968 -1.018 192 HD2 LYS 20 2HD LYS 20 -3.707 11.312 -1.688 193 HD3 LYS 20 1HD LYS 20 -3.096 12.809 -1.034 194 HE2 LYS 20 2HE LYS 20 -2.436 11.810 -3.832 195 HE3 LYS 20 1HE LYS 20 -3.563 13.103 -3.454 196 HZ1 LYS 20 1HZ LYS 20 -1.694 14.393 -2.535 197 HZ2 LYS 20 2HZ LYS 20 -1.435 13.983 -4.142 198 HZ3 LYS 20 3HZ LYS 20 -0.629 13.140 -2.933 199 H SER 21 H SER 21 -0.861 7.132 -2.061 200 HA SER 21 HA SER 21 -0.919 5.858 -4.537 201 HB2 SER 21 2HB SER 21 1.463 6.367 -5.191 202 HB3 SER 21 1HB SER 21 0.371 7.744 -5.356 203 HG SER 21 HG SER 21 1.618 8.771 -4.060 204 H TYR 22 H TYR 22 1.035 4.192 -4.532 205 HA TYR 22 HA TYR 22 1.758 3.563 -1.753 206 HB2 TYR 22 2HB TYR 22 1.440 1.196 -2.213 207 HB3 TYR 22 1HB TYR 22 -0.066 2.076 -2.389 208 HD1 TYR 22 1HD TYR 22 -1.324 1.777 -4.288 209 HD2 TYR 22 2HD TYR 22 2.751 0.633 -4.404 210 HE1 TYR 22 1HE TYR 22 -1.681 0.728 -6.473 211 HE2 TYR 22 2HE TYR 22 2.414 -0.408 -6.600 212 HH TYR 22 HH TYR 22 -0.355 0.116 -8.464 213 H THR 23 H THR 23 3.505 2.028 -1.635 214 HA THR 23 HA THR 23 5.461 2.502 -3.768 215 HB THR 23 HB THR 23 5.950 2.101 -0.797 216 HG1 THR 23 1HG THR 23 5.811 4.340 -2.485 217 HG21 THR 23 1HG2 THR 23 7.774 1.229 -2.184 218 HG22 THR 23 2HG2 THR 23 8.291 2.674 -1.311 219 HG23 THR 23 3HG2 THR 23 7.883 2.773 -3.026 220 H ILE 24 H ILE 24 6.400 0.723 -4.632 221 HA ILE 24 HA ILE 24 5.300 -1.833 -3.910 222 HB ILE 24 HB ILE 24 7.222 -1.101 -6.139 223 HG12 ILE 24 2HG1 ILE 24 4.233 -1.596 -6.194 224 HG13 ILE 24 1HG1 ILE 24 5.002 -0.023 -6.332 225 HG21 ILE 24 1HG2 ILE 24 5.643 -3.639 -5.667 226 HG22 ILE 24 2HG2 ILE 24 7.394 -3.469 -5.527 227 HG23 ILE 24 3HG2 ILE 24 6.612 -3.287 -7.098 228 HD11 ILE 24 1HD1 ILE 24 5.258 -2.301 -8.285 229 HD12 ILE 24 2HD1 ILE 24 6.044 -0.730 -8.434 230 HD13 ILE 24 3HD1 ILE 24 4.285 -0.841 -8.501 231 H GLN 25 H GLN 25 6.163 -2.697 -2.183 232 HA GLN 25 HA GLN 25 9.032 -2.736 -1.779 233 HB2 GLN 25 2HB GLN 25 7.822 -2.211 0.187 234 HB3 GLN 25 1HB GLN 25 6.679 -3.509 -0.027 235 HG2 GLN 25 2HG GLN 25 8.390 -5.124 0.438 236 HG3 GLN 25 1HG GLN 25 9.579 -3.836 0.597 237 HE21 GLN 25 1HE2 GLN 25 8.571 -5.833 2.481 238 HE22 GLN 25 2HE2 GLN 25 8.075 -4.967 3.882 239 H SER 26 H SER 26 10.205 -4.372 -2.406 240 HA SER 26 HA SER 26 8.876 -6.901 -3.040 241 HB2 SER 26 2HB SER 26 9.963 -5.796 -4.963 242 HB3 SER 26 1HB SER 26 11.484 -5.749 -4.069 243 HG SER 26 HG SER 26 11.529 -7.498 -5.423 244 H ASN 27 H ASN 27 9.881 -8.879 -2.312 245 HA ASN 27 HA ASN 27 10.960 -8.838 0.260 246 HB2 ASN 27 2HB ASN 27 9.575 -10.612 -0.880 247 HB3 ASN 27 1HB ASN 27 11.024 -11.072 -1.770 248 HD21 ASN 27 1HD2 ASN 27 9.358 -11.144 1.176 249 HD22 ASN 27 2HD2 ASN 27 10.442 -12.160 2.030 250 H GLU 28 H GLU 28 12.427 -8.255 -2.677 251 HA GLU 28 HA GLU 28 14.933 -9.571 -2.436 252 HB2 GLU 28 2HB GLU 28 14.219 -7.072 -3.948 253 HB3 GLU 28 1HB GLU 28 15.615 -8.100 -4.239 254 HG2 GLU 28 2HG GLU 28 14.206 -9.910 -4.924 255 HG3 GLU 28 1HG GLU 28 12.764 -9.002 -4.488 256 H ALA 29 H ALA 29 13.875 -6.244 -1.714 257 HA ALA 29 HA ALA 29 16.484 -5.751 -0.445 258 HB1 ALA 29 1HB ALA 29 16.065 -3.378 -0.785 259 HB2 ALA 29 2HB ALA 29 14.477 -3.742 -1.463 260 HB3 ALA 29 3HB ALA 29 15.935 -4.254 -2.310 261 H CYS 30 H CYS 30 13.311 -6.396 0.283 262 HA CYS 30 HA CYS 30 13.525 -5.062 2.892 263 HB2 CYS 30 2HB CYS 30 11.066 -5.710 1.294 264 HB3 CYS 30 1HB CYS 30 11.096 -4.889 2.844 265 H ASN 31 H ASN 31 12.180 -6.270 4.567 266 HA ASN 31 HA ASN 31 13.068 -8.942 4.673 267 HB2 ASN 31 2HB ASN 31 12.653 -7.595 6.707 268 HB3 ASN 31 1HB ASN 31 10.933 -7.592 6.344 269 HD21 ASN 31 1HD2 ASN 31 10.401 -8.618 8.287 270 HD22 ASN 31 2HD2 ASN 31 10.753 -10.284 8.559 271 H ILE 32 H ILE 32 9.977 -7.515 3.799 272 HA ILE 32 HA ILE 32 9.071 -10.124 2.783 273 HB ILE 32 HB ILE 32 6.803 -9.745 3.665 274 HG12 ILE 32 2HG1 ILE 32 8.005 -7.351 5.075 275 HG13 ILE 32 1HG1 ILE 32 6.875 -7.284 3.731 276 HG21 ILE 32 1HG2 ILE 32 8.906 -9.559 5.768 277 HG22 ILE 32 2HG2 ILE 32 8.340 -11.063 5.029 278 HG23 ILE 32 3HG2 ILE 32 7.245 -10.104 6.057 279 HD11 ILE 32 1HD1 ILE 32 6.316 -8.399 6.468 280 HD12 ILE 32 2HD1 ILE 32 5.173 -8.334 5.123 281 HD13 ILE 32 3HD1 ILE 32 5.778 -6.841 5.844 282 H LYS 33 H LYS 33 6.932 -9.662 1.504 283 HA LYS 33 HA LYS 33 7.233 -7.162 0.037 284 HB2 LYS 33 2HB LYS 33 7.071 -9.208 -1.326 285 HB3 LYS 33 1HB LYS 33 5.546 -9.613 -0.543 286 HG2 LYS 33 2HG LYS 33 4.559 -7.547 -1.466 287 HG3 LYS 33 1HG LYS 33 6.067 -7.226 -2.307 288 HD2 LYS 33 2HD LYS 33 5.830 -9.284 -3.572 289 HD3 LYS 33 1HD LYS 33 4.353 -9.669 -2.682 290 HE2 LYS 33 2HE LYS 33 3.309 -7.634 -3.562 291 HE3 LYS 33 1HE LYS 33 4.777 -7.279 -4.468 292 HZ1 LYS 33 1HZ LYS 33 3.041 -9.659 -4.836 293 HZ2 LYS 33 2HZ LYS 33 4.449 -9.325 -5.711 294 HZ3 LYS 33 3HZ LYS 33 3.097 -8.317 -5.842 295 H ALA 34 H ALA 34 6.128 -5.551 0.965 296 HA ALA 34 HA ALA 34 3.330 -5.956 1.661 297 HB1 ALA 34 1HB ALA 34 4.527 -6.077 3.814 298 HB2 ALA 34 2HB ALA 34 3.626 -4.573 3.698 299 HB3 ALA 34 3HB ALA 34 5.365 -4.569 3.427 300 H ILE 35 H ILE 35 2.309 -4.543 0.372 301 HA ILE 35 HA ILE 35 3.747 -2.392 -0.826 302 HB ILE 35 HB ILE 35 0.803 -3.082 -0.860 303 HG12 ILE 35 2HG1 ILE 35 2.269 -4.787 -1.781 304 HG13 ILE 35 1HG1 ILE 35 1.294 -4.066 -3.054 305 HG21 ILE 35 1HG2 ILE 35 0.624 -1.580 -2.820 306 HG22 ILE 35 2HG2 ILE 35 2.308 -1.122 -2.600 307 HG23 ILE 35 3HG2 ILE 35 1.114 -0.705 -1.382 308 HD11 ILE 35 1HD1 ILE 35 3.535 -4.468 -3.804 309 HD12 ILE 35 2HD1 ILE 35 4.200 -3.547 -2.457 310 HD13 ILE 35 3HD1 ILE 35 3.266 -2.724 -3.713 311 H ILE 36 H ILE 36 3.862 -0.294 -0.265 312 HA ILE 36 HA ILE 36 2.722 0.299 2.342 313 HB ILE 36 HB ILE 36 4.847 1.856 0.842 314 HG12 ILE 36 2HG1 ILE 36 6.347 0.980 2.784 315 HG13 ILE 36 1HG1 ILE 36 5.123 -0.273 2.942 316 HG21 ILE 36 1HG2 ILE 36 3.646 3.252 2.347 317 HG22 ILE 36 2HG2 ILE 36 5.294 2.940 2.917 318 HG23 ILE 36 3HG2 ILE 36 3.930 2.099 3.666 319 HD11 ILE 36 1HD1 ILE 36 5.516 -0.934 0.659 320 HD12 ILE 36 2HD1 ILE 36 6.996 -0.981 1.636 321 HD13 ILE 36 3HD1 ILE 36 6.711 0.360 0.513 322 H PHE 37 H PHE 37 0.911 1.258 2.290 323 HA PHE 37 HA PHE 37 -0.005 2.961 0.128 324 HB2 PHE 37 2HB PHE 37 -1.144 1.883 2.680 325 HB3 PHE 37 1HB PHE 37 -1.952 3.217 1.848 326 HD1 PHE 37 1HD PHE 37 -0.228 0.563 0.128 327 HD2 PHE 37 2HD PHE 37 -3.933 1.974 1.474 328 HE1 PHE 37 1HE PHE 37 -1.427 -1.097 -1.385 329 HE2 PHE 37 2HE PHE 37 -5.119 0.380 0.033 330 HZ PHE 37 HZ PHE 37 -3.858 -1.142 -1.392 331 H THR 38 H THR 38 0.280 5.034 0.085 332 HA THR 38 HA THR 38 1.054 6.274 2.613 333 HB THR 38 HB THR 38 1.583 7.277 -0.204 334 HG1 THR 38 1HG THR 38 2.639 5.279 0.989 335 HG21 THR 38 1HG2 THR 38 1.521 9.025 1.474 336 HG22 THR 38 2HG2 THR 38 3.204 8.767 0.979 337 HG23 THR 38 3HG2 THR 38 2.598 8.112 2.511 338 H THR 39 H THR 39 -0.231 7.855 3.417 339 HA THR 39 HA THR 39 -2.754 8.260 2.066 340 HB THR 39 HB THR 39 -3.302 9.580 4.153 341 HG1 THR 39 1HG THR 39 -1.713 8.608 5.859 342 HG21 THR 39 1HG2 THR 39 -4.078 7.304 3.880 343 HG22 THR 39 2HG2 THR 39 -3.581 7.547 5.556 344 HG23 THR 39 3HG2 THR 39 -2.528 6.684 4.431 345 H LYS 40 H LYS 40 -3.647 10.579 2.365 346 HA LYS 40 HA LYS 40 -2.013 12.360 0.886 347 HB2 LYS 40 2HB LYS 40 -4.307 13.117 2.646 348 HB3 LYS 40 1HB LYS 40 -3.753 13.999 1.230 349 HG2 LYS 40 2HG LYS 40 -4.484 11.665 0.003 350 HG3 LYS 40 1HG LYS 40 -5.390 11.555 1.459 351 HD2 LYS 40 2HD LYS 40 -6.588 13.563 1.107 352 HD3 LYS 40 1HD LYS 40 -5.495 13.978 -0.231 353 HE2 LYS 40 2HE LYS 40 -6.283 12.167 -1.543 354 HE3 LYS 40 1HE LYS 40 -7.269 11.573 -0.220 355 HZ1 LYS 40 1HZ LYS 40 -8.598 13.590 -0.349 356 HZ2 LYS 40 2HZ LYS 40 -8.601 12.757 -1.811 357 HZ3 LYS 40 3HZ LYS 40 -7.672 14.154 -1.639 358 H LYS 41 H LYS 41 -2.301 11.673 4.204 359 HA LYS 41 HA LYS 41 -0.994 14.040 5.148 360 HB2 LYS 41 2HB LYS 41 -1.396 11.334 6.454 361 HB3 LYS 41 1HB LYS 41 -0.671 12.705 7.258 362 HG2 LYS 41 2HG LYS 41 -2.918 12.490 8.011 363 HG3 LYS 41 1HG LYS 41 -2.832 13.920 6.998 364 HD2 LYS 41 2HD LYS 41 -3.852 12.683 5.153 365 HD3 LYS 41 1HD LYS 41 -3.874 11.213 6.132 366 HE2 LYS 41 2HE LYS 41 -5.358 12.324 7.747 367 HE3 LYS 41 1HE LYS 41 -5.337 13.779 6.754 368 HZ1 LYS 41 1HZ LYS 41 -7.308 12.431 6.454 369 HZ2 LYS 41 2HZ LYS 41 -6.387 11.139 5.910 370 HZ3 LYS 41 3HZ LYS 41 -6.469 12.594 5.013 371 H GLY 42 H GLY 42 -0.144 11.227 3.551 372 HA2 GLY 42 2HA GLY 42 1.845 10.708 2.637 373 HA3 GLY 42 1HA GLY 42 2.595 11.949 3.606 374 H ARG 43 H ARG 43 0.643 9.842 5.344 375 HA ARG 43 HA ARG 43 2.814 8.678 6.802 376 HB2 ARG 43 2HB ARG 43 -0.094 8.057 6.722 377 HB3 ARG 43 1HB ARG 43 1.017 7.325 7.877 378 HG2 ARG 43 2HG ARG 43 1.504 9.571 8.766 379 HG3 ARG 43 1HG ARG 43 0.311 10.255 7.655 380 HD2 ARG 43 2HD ARG 43 -1.427 8.911 8.717 381 HD3 ARG 43 1HD ARG 43 -0.227 8.209 9.800 382 HE ARG 43 HE ARG 43 -0.111 10.981 10.032 383 HH11 ARG 43 1HH1 ARG 43 -2.318 8.310 10.794 384 HH12 ARG 43 2HH1 ARG 43 -3.038 9.087 12.117 385 HH21 ARG 43 1HH2 ARG 43 -1.117 12.049 11.877 386 HH22 ARG 43 2HH2 ARG 43 -2.353 11.271 12.750 387 H LYS 44 H LYS 44 3.397 6.478 6.876 388 HA LYS 44 HA LYS 44 2.888 5.088 4.361 389 HB2 LYS 44 2HB LYS 44 5.060 4.669 6.410 390 HB3 LYS 44 1HB LYS 44 4.947 3.857 4.856 391 HG2 LYS 44 2HG LYS 44 5.405 6.807 5.308 392 HG3 LYS 44 1HG LYS 44 6.608 5.635 4.766 393 HD2 LYS 44 2HD LYS 44 5.357 5.280 2.708 394 HD3 LYS 44 1HD LYS 44 4.081 6.359 3.268 395 HE2 LYS 44 2HE LYS 44 5.497 7.529 1.709 396 HE3 LYS 44 1HE LYS 44 5.696 8.212 3.316 397 HZ1 LYS 44 1HZ LYS 44 7.561 6.335 1.962 398 HZ2 LYS 44 2HZ LYS 44 7.729 6.863 3.534 399 HZ3 LYS 44 3HZ LYS 44 7.823 7.979 2.264 400 H ILE 45 H ILE 45 1.391 3.610 4.426 401 HA ILE 45 HA ILE 45 0.869 2.144 6.902 402 HB ILE 45 HB ILE 45 -0.895 2.502 4.451 403 HG12 ILE 45 2HG1 ILE 45 -2.434 3.739 6.220 404 HG13 ILE 45 1HG1 ILE 45 -0.939 3.816 7.147 405 HG21 ILE 45 1HG2 ILE 45 -1.516 1.122 7.061 406 HG22 ILE 45 2HG2 ILE 45 -1.295 0.359 5.486 407 HG23 ILE 45 3HG2 ILE 45 -2.674 1.423 5.768 408 HD11 ILE 45 1HD1 ILE 45 -1.419 5.857 5.981 409 HD12 ILE 45 2HD1 ILE 45 -1.312 4.993 4.443 410 HD13 ILE 45 3HD1 ILE 45 0.110 5.128 5.478 411 H CYS 46 H CYS 46 1.467 0.111 6.902 412 HA CYS 46 HA CYS 46 2.530 -1.101 4.473 413 HB2 CYS 46 2HB CYS 46 2.459 -2.121 7.305 414 HB3 CYS 46 1HB CYS 46 3.493 -2.703 6.013 415 H ALA 47 H ALA 47 1.067 -2.140 3.213 416 HA ALA 47 HA ALA 47 -1.057 -3.594 4.632 417 HB1 ALA 47 1HB ALA 47 -1.278 -2.202 1.967 418 HB2 ALA 47 2HB ALA 47 -1.910 -1.592 3.495 419 HB3 ALA 47 3HB ALA 47 -2.560 -3.077 2.804 420 H ASN 48 H ASN 48 -1.640 -5.628 3.927 421 HA ASN 48 HA ASN 48 0.287 -6.955 2.446 422 HB2 ASN 48 2HB ASN 48 -0.705 -8.208 4.146 423 HB3 ASN 48 1HB ASN 48 -2.312 -7.756 3.670 424 HD21 ASN 48 1HD2 ASN 48 0.431 -9.657 2.486 425 HD22 ASN 48 2HD2 ASN 48 -0.646 -10.682 1.546 426 HA PRO 49 HA PRO 49 -1.099 -5.971 -1.614 427 HB2 PRO 49 2HB PRO 49 0.481 -7.826 -2.855 428 HB3 PRO 49 1HB PRO 49 1.021 -6.214 -2.398 429 HG2 PRO 49 2HG PRO 49 1.448 -8.818 -1.026 430 HG3 PRO 49 1HG PRO 49 2.548 -7.438 -1.183 431 HD2 PRO 49 2HD PRO 49 1.214 -7.943 1.091 432 HD3 PRO 49 1HD PRO 49 1.545 -6.288 0.559 433 H ASN 50 H ASN 50 -1.240 -9.031 -0.068 434 HA ASN 50 HA ASN 50 -2.579 -10.261 -2.223 435 HB2 ASN 50 2HB ASN 50 -2.020 -11.345 0.533 436 HB3 ASN 50 1HB ASN 50 -2.955 -12.203 -0.686 437 HD21 ASN 50 1HD2 ASN 50 -0.195 -10.237 -1.562 438 HD22 ASN 50 2HD2 ASN 50 0.844 -11.545 -1.980 439 H GLU 51 H GLU 51 -3.565 -8.081 0.043 440 HA GLU 51 HA GLU 51 -6.128 -9.260 0.679 441 HB2 GLU 51 2HB GLU 51 -5.231 -6.422 1.175 442 HB3 GLU 51 1HB GLU 51 -6.623 -7.226 1.879 443 HG2 GLU 51 2HG GLU 51 -4.828 -8.897 2.865 444 HG3 GLU 51 1HG GLU 51 -3.784 -7.665 2.276 445 H LYS 52 H LYS 52 -8.017 -8.903 -0.261 446 HA LYS 52 HA LYS 52 -8.003 -8.047 -2.912 447 HB2 LYS 52 2HB LYS 52 -9.599 -9.704 -2.014 448 HB3 LYS 52 1HB LYS 52 -10.396 -8.432 -1.106 449 HG2 LYS 52 2HG LYS 52 -11.640 -9.003 -3.129 450 HG3 LYS 52 1HG LYS 52 -11.054 -7.338 -3.175 451 HD2 LYS 52 2HD LYS 52 -9.220 -7.983 -4.629 452 HD3 LYS 52 1HD LYS 52 -9.686 -9.679 -4.529 453 HE2 LYS 52 2HE LYS 52 -11.342 -7.448 -5.717 454 HE3 LYS 52 1HE LYS 52 -10.388 -8.612 -6.631 455 HZ1 LYS 52 1HZ LYS 52 -12.732 -9.274 -4.901 456 HZ2 LYS 52 2HZ LYS 52 -11.794 -10.379 -5.751 457 HZ3 LYS 52 3HZ LYS 52 -12.699 -9.247 -6.587 458 H TRP 53 H TRP 53 -8.785 -6.288 0.029 459 HA TRP 53 HA TRP 53 -9.995 -4.093 -1.320 460 HB2 TRP 53 2HB TRP 53 -9.856 -2.826 0.749 461 HB3 TRP 53 1HB TRP 53 -10.279 -4.475 1.162 462 HD1 TRP 53 HD TRP 53 -8.312 -5.921 2.465 463 HE1 TRP 53 1HE TRP 53 -6.358 -5.142 3.879 464 HE3 TRP 53 3HE TRP 53 -8.118 -1.032 0.973 465 HZ2 TRP 53 2HZ TRP 53 -4.884 -2.795 4.332 466 HZ3 TRP 53 3HZ TRP 53 -6.388 0.403 1.946 467 HH2 TRP 53 HH TRP 53 -4.800 -0.458 3.594 468 H VAL 54 H VAL 54 -6.743 -4.884 -0.399 469 HA VAL 54 HA VAL 54 -5.469 -2.477 -1.056 470 HB VAL 54 HB VAL 54 -4.442 -5.331 -0.903 471 HG11 VAL 54 1HG1 VAL 54 -2.816 -2.800 -1.188 472 HG12 VAL 54 2HG1 VAL 54 -3.041 -4.049 -2.416 473 HG13 VAL 54 3HG1 VAL 54 -2.188 -4.421 -0.912 474 HG21 VAL 54 1HG2 VAL 54 -4.110 -2.970 0.916 475 HG22 VAL 54 2HG2 VAL 54 -3.445 -4.585 1.176 476 HG23 VAL 54 3HG2 VAL 54 -5.192 -4.330 1.187 477 H GLN 55 H GLN 55 -6.137 -5.416 -2.835 478 HA GLN 55 HA GLN 55 -4.737 -4.673 -5.128 479 HB2 GLN 55 2HB GLN 55 -6.995 -6.642 -4.911 480 HB3 GLN 55 1HB GLN 55 -5.825 -6.535 -6.233 481 HG2 GLN 55 2HG GLN 55 -4.030 -6.804 -4.503 482 HG3 GLN 55 1HG GLN 55 -5.306 -7.223 -3.372 483 HE21 GLN 55 1HE2 GLN 55 -3.128 -8.709 -4.170 484 HE22 GLN 55 2HE2 GLN 55 -3.663 -10.139 -4.941 485 H LYS 56 H LYS 56 -8.053 -4.129 -4.109 486 HA LYS 56 HA LYS 56 -8.944 -3.019 -6.574 487 HB2 LYS 56 2HB LYS 56 -9.989 -2.555 -3.779 488 HB3 LYS 56 1HB LYS 56 -10.772 -1.986 -5.242 489 HG2 LYS 56 2HG LYS 56 -11.053 -4.315 -5.965 490 HG3 LYS 56 1HG LYS 56 -10.324 -4.847 -4.446 491 HD2 LYS 56 2HD LYS 56 -12.092 -3.696 -3.201 492 HD3 LYS 56 1HD LYS 56 -12.818 -3.178 -4.716 493 HE2 LYS 56 2HE LYS 56 -13.166 -5.525 -5.346 494 HE3 LYS 56 1HE LYS 56 -12.451 -6.031 -3.819 495 HZ1 LYS 56 1HZ LYS 56 -14.820 -6.065 -3.635 496 HZ2 LYS 56 2HZ LYS 56 -14.949 -4.454 -4.138 497 HZ3 LYS 56 3HZ LYS 56 -14.225 -4.840 -2.668 498 H ALA 57 H ALA 57 -7.546 -1.648 -3.630 499 HA ALA 57 HA ALA 57 -7.671 1.053 -4.395 500 HB1 ALA 57 1HB ALA 57 -5.818 1.403 -2.806 501 HB2 ALA 57 2HB ALA 57 -5.616 -0.333 -2.636 502 HB3 ALA 57 3HB ALA 57 -7.119 0.470 -2.093 503 H MET 58 H MET 58 -5.298 -1.444 -4.947 504 HA MET 58 HA MET 58 -3.370 0.033 -6.227 505 HB2 MET 58 2HB MET 58 -4.155 -2.816 -6.666 506 HB3 MET 58 1HB MET 58 -2.773 -2.068 -7.442 507 HG2 MET 58 2HG MET 58 -1.848 -1.590 -5.215 508 HG3 MET 58 1HG MET 58 -3.215 -2.431 -4.511 509 HE1 MET 58 1HE MET 58 -0.036 -3.231 -4.227 510 HE2 MET 58 2HE MET 58 -0.206 -4.981 -4.154 511 HE3 MET 58 3HE MET 58 -1.333 -3.941 -3.268 512 H LYS 59 H LYS 59 -6.345 -1.350 -7.590 513 HA LYS 59 HA LYS 59 -5.642 -1.025 -10.262 514 HB2 LYS 59 2HB LYS 59 -7.495 -2.418 -9.412 515 HB3 LYS 59 1HB LYS 59 -8.361 -0.972 -8.933 516 HG2 LYS 59 2HG LYS 59 -8.511 -0.290 -11.278 517 HG3 LYS 59 1HG LYS 59 -7.637 -1.749 -11.750 518 HD2 LYS 59 2HD LYS 59 -10.306 -1.700 -10.313 519 HD3 LYS 59 1HD LYS 59 -10.089 -1.992 -12.037 520 HE2 LYS 59 2HE LYS 59 -8.958 -3.721 -9.820 521 HE3 LYS 59 1HE LYS 59 -10.413 -4.067 -10.729 522 HZ1 LYS 59 1HZ LYS 59 -8.480 -5.264 -11.555 523 HZ2 LYS 59 2HZ LYS 59 -7.699 -3.830 -11.948 524 HZ3 LYS 59 3HZ LYS 59 -9.121 -4.273 -12.737 525 H HIS 60 H HIS 60 -7.156 1.056 -7.880 526 HA HIS 60 HA HIS 60 -7.586 3.228 -9.647 527 HB2 HIS 60 2HB HIS 60 -9.011 2.917 -7.729 528 HB3 HIS 60 1HB HIS 60 -7.628 2.968 -6.646 529 HD1 HIS 60 1HD HIS 60 -9.702 5.239 -8.864 530 HD2 HIS 60 2HD HIS 60 -6.952 5.407 -5.791 531 HE1 HIS 60 1HE HIS 60 -9.628 7.654 -8.194 532 HE2 HIS 60 2HE HIS 60 -7.662 7.762 -6.664 533 H LEU 61 H LEU 61 -5.198 2.539 -7.128 534 HA LEU 61 HA LEU 61 -3.794 5.018 -7.403 535 HB2 LEU 61 2HB LEU 61 -2.895 2.423 -6.165 536 HB3 LEU 61 1HB LEU 61 -2.119 3.976 -5.938 537 HG LEU 61 HG LEU 61 -4.917 3.304 -5.037 538 HD11 LEU 61 1HD1 LEU 61 -2.356 3.472 -3.457 539 HD12 LEU 61 2HD1 LEU 61 -3.261 2.003 -3.837 540 HD13 LEU 61 3HD1 LEU 61 -3.977 3.231 -2.796 541 HD21 LEU 61 1HD2 LEU 61 -3.149 5.687 -4.466 542 HD22 LEU 61 2HD2 LEU 61 -4.729 5.380 -3.747 543 HD23 LEU 61 3HD2 LEU 61 -4.594 5.687 -5.478 544 H ASP 62 H ASP 62 -3.542 2.015 -9.095 545 HA ASP 62 HA ASP 62 -0.872 2.330 -10.046 546 HB2 ASP 62 2HB ASP 62 -1.918 0.145 -10.058 547 HB3 ASP 62 1HB ASP 62 -3.223 0.728 -11.073 548 H LYS 63 H LYS 63 -3.984 3.446 -11.044 549 HA LYS 63 HA LYS 63 -2.814 4.620 -13.384 550 HB2 LYS 63 2HB LYS 63 -5.227 5.306 -13.911 551 HB3 LYS 63 1HB LYS 63 -4.850 3.589 -13.950 552 HG2 LYS 63 2HG LYS 63 -5.777 3.366 -11.690 553 HG3 LYS 63 1HG LYS 63 -6.222 5.068 -11.735 554 HD2 LYS 63 2HD LYS 63 -7.733 4.674 -13.554 555 HD3 LYS 63 1HD LYS 63 -7.173 3.003 -13.704 556 HE2 LYS 63 2HE LYS 63 -8.024 2.490 -11.477 557 HE3 LYS 63 1HE LYS 63 -8.538 4.161 -11.273 558 HZ1 LYS 63 1HZ LYS 63 -9.561 2.278 -13.315 559 HZ2 LYS 63 2HZ LYS 63 -10.085 3.867 -13.083 560 HZ3 LYS 63 3HZ LYS 63 -10.357 2.701 -11.889 561 H LYS 64 H LYS 64 -4.445 5.576 -10.356 562 HA LYS 64 HA LYS 64 -2.772 7.615 -9.742 563 HB2 LYS 64 2HB LYS 64 -3.767 8.730 -11.759 564 HB3 LYS 64 1HB LYS 64 -5.313 8.663 -10.886 565 HG2 LYS 64 2HG LYS 64 -4.497 10.115 -9.180 566 HG3 LYS 64 1HG LYS 64 -2.863 10.065 -9.844 567 HD2 LYS 64 2HD LYS 64 -3.706 11.154 -11.890 568 HD3 LYS 64 1HD LYS 64 -5.297 11.282 -11.133 569 HE2 LYS 64 2HE LYS 64 -4.385 12.648 -9.364 570 HE3 LYS 64 1HE LYS 64 -2.760 12.462 -10.011 571 HZ1 LYS 64 1HZ LYS 64 -3.515 13.590 -12.023 572 HZ2 LYS 64 2HZ LYS 64 -3.663 14.565 -10.646 573 HZ3 LYS 64 3HZ LYS 64 -5.024 13.848 -11.353 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 8.725 9.342 9.907 2 H2 ALA 1 2HT ALA 1 8.582 8.417 8.504 3 H3 ALA 1 3HT ALA 1 9.846 9.496 8.655 4 HA ALA 1 HA ALA 1 10.809 8.215 10.418 5 HB1 ALA 1 1HB ALA 1 8.738 7.257 11.314 6 HB2 ALA 1 2HB ALA 1 9.892 5.986 10.907 7 HB3 ALA 1 3HB ALA 1 8.533 6.318 9.835 8 H ARG 2 H ARG 2 12.607 7.588 9.402 9 HA ARG 2 HA ARG 2 12.404 6.738 6.676 10 HB2 ARG 2 2HB ARG 2 14.864 7.082 8.389 11 HB3 ARG 2 1HB ARG 2 14.878 6.686 6.681 12 HG2 ARG 2 2HG ARG 2 13.706 8.826 6.232 13 HG3 ARG 2 1HG ARG 2 13.878 9.229 7.941 14 HD2 ARG 2 2HD ARG 2 16.123 8.681 6.000 15 HD3 ARG 2 1HD ARG 2 15.646 10.262 6.606 16 HE ARG 2 HE ARG 2 16.172 8.866 8.849 17 HH11 ARG 2 1HH1 ARG 2 18.034 9.439 5.896 18 HH12 ARG 2 2HH1 ARG 2 19.544 9.394 6.671 19 HH21 ARG 2 1HH2 ARG 2 18.284 8.799 9.904 20 HH22 ARG 2 2HH2 ARG 2 19.696 9.027 8.980 21 H LYS 3 H LYS 3 11.586 4.838 6.467 22 HA LYS 3 HA LYS 3 13.327 2.653 6.968 23 HB2 LYS 3 2HB LYS 3 11.456 1.205 7.875 24 HB3 LYS 3 1HB LYS 3 12.038 2.425 8.982 25 HG2 LYS 3 2HG LYS 3 10.072 3.822 8.417 26 HG3 LYS 3 1HG LYS 3 9.481 2.518 7.386 27 HD2 LYS 3 2HD LYS 3 9.348 1.016 9.281 28 HD3 LYS 3 1HD LYS 3 10.073 2.229 10.336 29 HE2 LYS 3 2HE LYS 3 7.665 2.108 10.674 30 HE3 LYS 3 1HE LYS 3 8.115 3.675 9.997 31 HZ1 LYS 3 1HZ LYS 3 6.155 2.808 8.927 32 HZ2 LYS 3 2HZ LYS 3 6.942 1.381 8.530 33 HZ3 LYS 3 3HZ LYS 3 7.406 2.825 7.820 34 H SER 4 H SER 4 13.265 1.224 5.344 35 HA SER 4 HA SER 4 11.681 2.115 3.074 36 HB2 SER 4 2HB SER 4 14.141 1.931 2.832 37 HB3 SER 4 1HB SER 4 14.032 0.211 3.192 38 HG SER 4 HG SER 4 14.094 0.464 0.989 39 H CYS 5 H CYS 5 11.975 -0.524 5.280 40 HA CYS 5 HA CYS 5 10.188 -2.108 3.584 41 HB2 CYS 5 2HB CYS 5 12.201 -3.032 5.616 42 HB3 CYS 5 1HB CYS 5 11.121 -4.071 4.699 43 H CYS 6 H CYS 6 8.540 -3.266 4.559 44 HA CYS 6 HA CYS 6 7.847 -2.553 7.290 45 HB2 CYS 6 2HB CYS 6 6.228 -3.416 4.918 46 HB3 CYS 6 1HB CYS 6 5.558 -3.220 6.535 47 H LEU 7 H LEU 7 7.644 -4.268 8.637 48 HA LEU 7 HA LEU 7 8.096 -6.955 7.524 49 HB2 LEU 7 2HB LEU 7 8.448 -5.968 10.368 50 HB3 LEU 7 1HB LEU 7 8.639 -7.630 9.875 51 HG LEU 7 HG LEU 7 10.564 -6.879 8.426 52 HD11 LEU 7 1HD1 LEU 7 11.624 -4.761 8.928 53 HD12 LEU 7 2HD1 LEU 7 10.269 -4.313 9.962 54 HD13 LEU 7 3HD1 LEU 7 10.022 -4.526 8.227 55 HD21 LEU 7 1HD2 LEU 7 10.921 -7.956 10.565 56 HD22 LEU 7 2HD2 LEU 7 10.781 -6.403 11.392 57 HD23 LEU 7 3HD2 LEU 7 12.130 -6.704 10.294 58 H LYS 8 H LYS 8 5.726 -4.983 8.446 59 HA LYS 8 HA LYS 8 3.986 -7.175 9.304 60 HB2 LYS 8 2HB LYS 8 3.954 -4.345 10.343 61 HB3 LYS 8 1HB LYS 8 2.848 -5.625 10.809 62 HG2 LYS 8 2HG LYS 8 4.732 -6.853 11.817 63 HG3 LYS 8 1HG LYS 8 5.811 -5.536 11.373 64 HD2 LYS 8 2HD LYS 8 3.441 -5.344 13.242 65 HD3 LYS 8 1HD LYS 8 5.135 -5.363 13.710 66 HE2 LYS 8 2HE LYS 8 5.506 -3.257 12.510 67 HE3 LYS 8 1HE LYS 8 3.819 -3.244 12.008 68 HZ1 LYS 8 1HZ LYS 8 3.165 -3.071 14.329 69 HZ2 LYS 8 2HZ LYS 8 4.195 -1.813 13.901 70 HZ3 LYS 8 3HZ LYS 8 4.772 -3.095 14.818 71 H TYR 9 H TYR 9 1.719 -6.636 8.865 72 HA TYR 9 HA TYR 9 1.345 -4.644 6.763 73 HB2 TYR 9 2HB TYR 9 -0.440 -7.166 6.967 74 HB3 TYR 9 1HB TYR 9 -0.240 -6.005 5.724 75 HD1 TYR 9 1HD TYR 9 1.258 -6.242 4.027 76 HD2 TYR 9 2HD TYR 9 1.452 -8.847 7.347 77 HE1 TYR 9 1HE TYR 9 2.771 -7.731 2.763 78 HE2 TYR 9 2HE TYR 9 2.962 -10.343 6.111 79 HH TYR 9 HH TYR 9 4.404 -9.409 3.141 80 H THR 10 H THR 10 -0.676 -3.509 7.013 81 HA THR 10 HA THR 10 -1.440 -3.155 9.673 82 HB THR 10 HB THR 10 -1.481 -1.275 8.132 83 HG1 THR 10 1HG THR 10 -4.153 -1.196 8.432 84 HG21 THR 10 1HG2 THR 10 -3.185 -1.073 6.365 85 HG22 THR 10 2HG2 THR 10 -3.701 -2.735 6.681 86 HG23 THR 10 3HG2 THR 10 -2.067 -2.399 6.076 87 H LYS 11 H LYS 11 -3.267 -3.819 10.740 88 HA LYS 11 HA LYS 11 -4.695 -6.062 9.585 89 HB2 LYS 11 2HB LYS 11 -4.865 -4.771 12.305 90 HB3 LYS 11 1HB LYS 11 -5.722 -6.232 11.845 91 HG2 LYS 11 2HG LYS 11 -3.628 -7.403 11.535 92 HG3 LYS 11 1HG LYS 11 -2.720 -5.940 11.892 93 HD2 LYS 11 2HD LYS 11 -4.571 -7.391 13.793 94 HD3 LYS 11 1HD LYS 11 -2.810 -7.452 13.832 95 HE2 LYS 11 2HE LYS 11 -4.536 -5.010 14.283 96 HE3 LYS 11 1HE LYS 11 -3.661 -5.905 15.511 97 HZ1 LYS 11 1HZ LYS 11 -2.481 -3.931 14.884 98 HZ2 LYS 11 2HZ LYS 11 -2.449 -4.379 13.275 99 HZ3 LYS 11 3HZ LYS 11 -1.581 -5.277 14.412 100 H ARG 12 H ARG 12 -5.046 -2.741 10.091 101 HA ARG 12 HA ARG 12 -7.928 -2.855 9.658 102 HB2 ARG 12 2HB ARG 12 -7.265 -1.515 11.543 103 HB3 ARG 12 1HB ARG 12 -6.131 -0.609 10.554 104 HG2 ARG 12 2HG ARG 12 -7.996 0.330 9.281 105 HG3 ARG 12 1HG ARG 12 -9.131 -0.592 10.264 106 HD2 ARG 12 2HD ARG 12 -8.426 0.575 12.243 107 HD3 ARG 12 1HD ARG 12 -7.182 1.436 11.331 108 HE ARG 12 HE ARG 12 -9.510 2.019 10.064 109 HH11 ARG 12 1HH1 ARG 12 -8.414 2.295 13.405 110 HH12 ARG 12 2HH1 ARG 12 -9.288 3.734 13.727 111 HH21 ARG 12 1HH2 ARG 12 -10.684 4.035 10.506 112 HH22 ARG 12 2HH2 ARG 12 -10.557 4.739 12.063 113 HA PRO 13 HA PRO 13 -7.111 -1.841 5.343 114 HB2 PRO 13 2HB PRO 13 -10.025 -1.278 5.444 115 HB3 PRO 13 1HB PRO 13 -9.124 -2.321 4.338 116 HG2 PRO 13 2HG PRO 13 -10.641 -3.377 6.242 117 HG3 PRO 13 1HG PRO 13 -9.064 -4.083 5.837 118 HD2 PRO 13 2HD PRO 13 -9.817 -2.335 8.147 119 HD3 PRO 13 1HD PRO 13 -8.764 -3.770 8.097 120 H LEU 14 H LEU 14 -6.827 0.091 4.322 121 HA LEU 14 HA LEU 14 -7.581 2.550 5.723 122 HB2 LEU 14 2HB LEU 14 -5.165 2.142 5.110 123 HB3 LEU 14 1HB LEU 14 -5.654 2.066 3.437 124 HG LEU 14 HG LEU 14 -6.345 4.429 3.560 125 HD11 LEU 14 1HD1 LEU 14 -5.623 5.784 5.454 126 HD12 LEU 14 2HD1 LEU 14 -5.085 4.333 6.299 127 HD13 LEU 14 3HD1 LEU 14 -6.799 4.574 5.962 128 HD21 LEU 14 1HD2 LEU 14 -3.511 3.830 4.366 129 HD22 LEU 14 2HD2 LEU 14 -4.069 5.307 3.579 130 HD23 LEU 14 3HD2 LEU 14 -4.162 3.763 2.735 131 HA PRO 15 HA PRO 15 -10.619 2.924 2.402 132 HB2 PRO 15 2HB PRO 15 -10.784 5.769 3.068 133 HB3 PRO 15 1HB PRO 15 -12.032 4.539 3.165 134 HG2 PRO 15 2HG PRO 15 -10.919 5.604 5.386 135 HG3 PRO 15 1HG PRO 15 -11.473 3.923 5.316 136 HD2 PRO 15 2HD PRO 15 -8.704 5.021 5.116 137 HD3 PRO 15 1HD PRO 15 -9.289 3.561 5.947 138 H LEU 16 H LEU 16 -10.405 3.428 0.342 139 HA LEU 16 HA LEU 16 -7.911 4.204 -0.655 140 HB2 LEU 16 2HB LEU 16 -9.203 2.648 -1.819 141 HB3 LEU 16 1HB LEU 16 -10.545 3.807 -1.982 142 HG LEU 16 HG LEU 16 -9.029 5.095 -3.455 143 HD11 LEU 16 1HD1 LEU 16 -7.063 3.905 -4.371 144 HD12 LEU 16 2HD1 LEU 16 -7.291 2.655 -3.147 145 HD13 LEU 16 3HD1 LEU 16 -6.901 4.300 -2.664 146 HD21 LEU 16 1HD2 LEU 16 -9.646 2.268 -4.152 147 HD22 LEU 16 2HD2 LEU 16 -9.327 3.591 -5.311 148 HD23 LEU 16 3HD2 LEU 16 -10.721 3.684 -4.224 149 H LYS 17 H LYS 17 -10.840 5.990 -0.262 150 HA LYS 17 HA LYS 17 -10.173 8.166 -1.905 151 HB2 LYS 17 2HB LYS 17 -12.059 8.014 0.433 152 HB3 LYS 17 1HB LYS 17 -11.903 9.431 -0.603 153 HG2 LYS 17 2HG LYS 17 -12.572 8.149 -2.523 154 HG3 LYS 17 1HG LYS 17 -12.641 6.676 -1.561 155 HD2 LYS 17 2HD LYS 17 -14.438 7.667 -0.217 156 HD3 LYS 17 1HD LYS 17 -14.350 9.130 -1.193 157 HE2 LYS 17 2HE LYS 17 -16.177 7.655 -1.928 158 HE3 LYS 17 1HE LYS 17 -14.962 7.902 -3.180 159 HZ1 LYS 17 1HZ LYS 17 -14.046 5.725 -2.706 160 HZ2 LYS 17 2HZ LYS 17 -15.680 5.592 -3.021 161 HZ3 LYS 17 3HZ LYS 17 -15.140 5.487 -1.437 162 H ARG 18 H ARG 18 -8.711 7.230 0.826 163 HA ARG 18 HA ARG 18 -7.733 10.002 1.404 164 HB2 ARG 18 2HB ARG 18 -7.719 7.616 3.278 165 HB3 ARG 18 1HB ARG 18 -6.847 9.098 3.588 166 HG2 ARG 18 2HG ARG 18 -8.829 9.043 4.892 167 HG3 ARG 18 1HG ARG 18 -9.031 10.292 3.674 168 HD2 ARG 18 2HD ARG 18 -10.430 8.747 2.366 169 HD3 ARG 18 1HD ARG 18 -10.161 7.507 3.598 170 HE ARG 18 HE ARG 18 -11.187 9.836 4.784 171 HH11 ARG 18 1HH1 ARG 18 -12.299 7.156 2.753 172 HH12 ARG 18 2HH1 ARG 18 -13.882 7.179 3.374 173 HH21 ARG 18 1HH2 ARG 18 -13.352 9.860 5.603 174 HH22 ARG 18 2HH2 ARG 18 -14.500 8.746 5.014 175 H ILE 19 H ILE 19 -6.839 7.603 -0.426 176 HA ILE 19 HA ILE 19 -4.044 7.526 0.483 177 HB ILE 19 HB ILE 19 -5.376 5.686 -1.533 178 HG12 ILE 19 2HG1 ILE 19 -4.717 5.120 1.327 179 HG13 ILE 19 1HG1 ILE 19 -6.359 5.493 0.835 180 HG21 ILE 19 1HG2 ILE 19 -2.782 5.510 0.022 181 HG22 ILE 19 2HG2 ILE 19 -2.918 5.783 -1.719 182 HG23 ILE 19 3HG2 ILE 19 -3.418 4.244 -1.009 183 HD11 ILE 19 1HD1 ILE 19 -6.227 3.482 -0.694 184 HD12 ILE 19 2HD1 ILE 19 -6.096 3.104 1.032 185 HD13 ILE 19 3HD1 ILE 19 -4.667 3.176 -0.011 186 H LYS 20 H LYS 20 -2.515 8.352 -0.796 187 HA LYS 20 HA LYS 20 -3.329 9.611 -3.283 188 HB2 LYS 20 2HB LYS 20 -0.732 9.855 -1.761 189 HB3 LYS 20 1HB LYS 20 -1.124 10.743 -3.208 190 HG2 LYS 20 2HG LYS 20 -2.399 10.935 -0.551 191 HG3 LYS 20 1HG LYS 20 -1.455 12.166 -1.403 192 HD2 LYS 20 2HD LYS 20 -4.155 11.076 -2.057 193 HD3 LYS 20 1HD LYS 20 -3.775 12.695 -1.530 194 HE2 LYS 20 2HE LYS 20 -2.862 11.561 -4.198 195 HE3 LYS 20 1HE LYS 20 -4.190 12.693 -3.972 196 HZ1 LYS 20 1HZ LYS 20 -2.615 14.313 -3.109 197 HZ2 LYS 20 2HZ LYS 20 -2.158 13.829 -4.647 198 HZ3 LYS 20 3HZ LYS 20 -1.340 13.233 -3.308 199 H SER 21 H SER 21 -0.917 7.253 -2.099 200 HA SER 21 HA SER 21 -0.678 6.010 -4.629 201 HB2 SER 21 2HB SER 21 1.642 7.733 -3.670 202 HB3 SER 21 1HB SER 21 1.743 6.563 -4.977 203 HG SER 21 HG SER 21 -0.323 8.288 -5.288 204 H TYR 22 H TYR 22 1.215 4.396 -4.462 205 HA TYR 22 HA TYR 22 1.755 3.673 -1.669 206 HB2 TYR 22 2HB TYR 22 1.387 1.334 -2.155 207 HB3 TYR 22 1HB TYR 22 -0.080 2.246 -2.451 208 HD1 TYR 22 1HD TYR 22 -1.129 2.099 -4.497 209 HD2 TYR 22 2HD TYR 22 2.806 0.604 -4.159 210 HE1 TYR 22 1HE TYR 22 -1.343 1.054 -6.692 211 HE2 TYR 22 2HE TYR 22 2.617 -0.435 -6.379 212 HH TYR 22 HH TYR 22 0.294 0.344 -8.555 213 H THR 23 H THR 23 3.482 2.144 -1.494 214 HA THR 23 HA THR 23 5.448 2.498 -3.613 215 HB THR 23 HB THR 23 5.911 2.159 -0.645 216 HG1 THR 23 1HG THR 23 5.970 4.376 -2.403 217 HG21 THR 23 1HG2 THR 23 7.655 1.136 -2.027 218 HG22 THR 23 2HG2 THR 23 8.281 2.537 -1.150 219 HG23 THR 23 3HG2 THR 23 7.899 2.657 -2.877 220 H ILE 24 H ILE 24 6.316 0.628 -4.421 221 HA ILE 24 HA ILE 24 5.191 -1.845 -3.456 222 HB ILE 24 HB ILE 24 7.064 -1.388 -5.812 223 HG12 ILE 24 2HG1 ILE 24 4.068 -1.792 -5.747 224 HG13 ILE 24 1HG1 ILE 24 4.871 -0.252 -6.056 225 HG21 ILE 24 1HG2 ILE 24 5.408 -3.794 -5.033 226 HG22 ILE 24 2HG2 ILE 24 7.165 -3.673 -4.955 227 HG23 ILE 24 3HG2 ILE 24 6.344 -3.632 -6.514 228 HD11 ILE 24 1HD1 ILE 24 5.035 -2.725 -7.772 229 HD12 ILE 24 2HD1 ILE 24 5.853 -1.196 -8.092 230 HD13 ILE 24 3HD1 ILE 24 4.090 -1.276 -8.117 231 H GLN 25 H GLN 25 6.136 -2.813 -1.847 232 HA GLN 25 HA GLN 25 8.982 -2.577 -1.452 233 HB2 GLN 25 2HB GLN 25 7.857 -2.367 0.551 234 HB3 GLN 25 1HB GLN 25 6.696 -3.624 0.235 235 HG2 GLN 25 2HG GLN 25 8.460 -5.284 0.532 236 HG3 GLN 25 1HG GLN 25 9.604 -3.981 0.857 237 HE21 GLN 25 1HE2 GLN 25 8.542 -6.221 2.502 238 HE22 GLN 25 2HE2 GLN 25 8.004 -5.487 3.961 239 H SER 26 H SER 26 10.304 -3.922 -2.332 240 HA SER 26 HA SER 26 9.289 -6.301 -3.567 241 HB2 SER 26 2HB SER 26 11.594 -6.448 -4.540 242 HB3 SER 26 1HB SER 26 10.752 -4.947 -4.915 243 HG SER 26 HG SER 26 11.985 -3.874 -3.426 244 H ASN 27 H ASN 27 9.731 -8.383 -2.954 245 HA ASN 27 HA ASN 27 10.549 -8.850 -0.317 246 HB2 ASN 27 2HB ASN 27 8.843 -10.025 -1.810 247 HB3 ASN 27 1HB ASN 27 10.221 -10.779 -2.590 248 HD21 ASN 27 1HD2 ASN 27 7.934 -11.732 -1.042 249 HD22 ASN 27 2HD2 ASN 27 8.600 -12.718 0.200 250 H GLU 28 H GLU 28 12.248 -8.367 -3.230 251 HA GLU 28 HA GLU 28 14.566 -9.867 -2.718 252 HB2 GLU 28 2HB GLU 28 13.854 -9.035 -4.916 253 HB3 GLU 28 1HB GLU 28 14.044 -7.386 -4.366 254 HG2 GLU 28 2HG GLU 28 16.269 -9.374 -4.584 255 HG3 GLU 28 1HG GLU 28 15.792 -8.273 -5.879 256 H ALA 29 H ALA 29 13.577 -6.492 -2.038 257 HA ALA 29 HA ALA 29 16.132 -5.964 -0.733 258 HB1 ALA 29 1HB ALA 29 15.394 -3.651 -0.633 259 HB2 ALA 29 2HB ALA 29 13.793 -4.121 -1.209 260 HB3 ALA 29 3HB ALA 29 15.196 -4.289 -2.265 261 H CYS 30 H CYS 30 12.848 -6.583 0.067 262 HA CYS 30 HA CYS 30 13.428 -6.088 2.906 263 HB2 CYS 30 2HB CYS 30 10.820 -6.019 1.403 264 HB3 CYS 30 1HB CYS 30 11.040 -5.678 3.117 265 H ASN 31 H ASN 31 12.146 -7.623 4.353 266 HA ASN 31 HA ASN 31 12.725 -10.232 3.350 267 HB2 ASN 31 2HB ASN 31 12.162 -11.128 5.568 268 HB3 ASN 31 1HB ASN 31 13.221 -9.738 5.710 269 HD21 ASN 31 1HD2 ASN 31 10.118 -11.056 6.379 270 HD22 ASN 31 2HD2 ASN 31 9.544 -9.802 7.402 271 H ILE 32 H ILE 32 9.922 -8.345 3.432 272 HA ILE 32 HA ILE 32 8.433 -10.593 2.239 273 HB ILE 32 HB ILE 32 6.330 -9.838 3.305 274 HG12 ILE 32 2HG1 ILE 32 8.096 -8.002 4.927 275 HG13 ILE 32 1HG1 ILE 32 6.956 -7.495 3.689 276 HG21 ILE 32 1HG2 ILE 32 8.494 -10.431 5.247 277 HG22 ILE 32 2HG2 ILE 32 7.559 -11.643 4.355 278 HG23 ILE 32 3HG2 ILE 32 6.763 -10.608 5.572 279 HD11 ILE 32 1HD1 ILE 32 6.272 -8.855 6.286 280 HD12 ILE 32 2HD1 ILE 32 5.118 -8.344 5.052 281 HD13 ILE 32 3HD1 ILE 32 6.071 -7.140 5.919 282 H LYS 33 H LYS 33 6.396 -9.660 1.118 283 HA LYS 33 HA LYS 33 7.103 -7.103 -0.052 284 HB2 LYS 33 2HB LYS 33 6.777 -8.881 -1.707 285 HB3 LYS 33 1HB LYS 33 5.209 -9.267 -1.026 286 HG2 LYS 33 2HG LYS 33 4.385 -7.038 -1.694 287 HG3 LYS 33 1HG LYS 33 5.955 -6.706 -2.415 288 HD2 LYS 33 2HD LYS 33 5.672 -8.514 -3.983 289 HD3 LYS 33 1HD LYS 33 4.158 -8.988 -3.216 290 HE2 LYS 33 2HE LYS 33 3.180 -6.828 -3.824 291 HE3 LYS 33 1HE LYS 33 4.696 -6.360 -4.597 292 HZ1 LYS 33 1HZ LYS 33 3.006 -8.669 -5.410 293 HZ2 LYS 33 2HZ LYS 33 4.418 -8.157 -6.162 294 HZ3 LYS 33 3HZ LYS 33 3.051 -7.170 -6.191 295 H ALA 34 H ALA 34 6.074 -5.462 0.931 296 HA ALA 34 HA ALA 34 3.269 -5.788 1.685 297 HB1 ALA 34 1HB ALA 34 4.594 -5.962 3.775 298 HB2 ALA 34 2HB ALA 34 3.708 -4.450 3.750 299 HB3 ALA 34 3HB ALA 34 5.426 -4.469 3.378 300 H ILE 35 H ILE 35 2.206 -4.365 0.423 301 HA ILE 35 HA ILE 35 3.577 -2.214 -0.857 302 HB ILE 35 HB ILE 35 0.612 -2.810 -0.668 303 HG12 ILE 35 2HG1 ILE 35 1.975 -4.574 -1.680 304 HG13 ILE 35 1HG1 ILE 35 0.863 -3.857 -2.856 305 HG21 ILE 35 1HG2 ILE 35 0.388 -1.331 -2.672 306 HG22 ILE 35 2HG2 ILE 35 2.085 -0.939 -2.538 307 HG23 ILE 35 3HG2 ILE 35 0.981 -0.468 -1.260 308 HD11 ILE 35 1HD1 ILE 35 2.944 -4.294 -3.871 309 HD12 ILE 35 2HD1 ILE 35 3.844 -3.444 -2.598 310 HD13 ILE 35 3HD1 ILE 35 2.795 -2.552 -3.717 311 H ILE 36 H ILE 36 3.863 -0.172 -0.166 312 HA ILE 36 HA ILE 36 2.690 0.440 2.434 313 HB ILE 36 HB ILE 36 4.909 1.958 1.021 314 HG12 ILE 36 2HG1 ILE 36 6.340 0.964 2.942 315 HG13 ILE 36 1HG1 ILE 36 5.059 -0.230 3.074 316 HG21 ILE 36 1HG2 ILE 36 3.717 3.340 2.570 317 HG22 ILE 36 2HG2 ILE 36 5.341 2.949 3.162 318 HG23 ILE 36 3HG2 ILE 36 3.936 2.121 3.843 319 HD11 ILE 36 1HD1 ILE 36 5.464 -0.870 0.779 320 HD12 ILE 36 2HD1 ILE 36 6.908 -1.020 1.796 321 HD13 ILE 36 3HD1 ILE 36 6.734 0.357 0.688 322 H PHE 37 H PHE 37 0.926 1.460 2.348 323 HA PHE 37 HA PHE 37 0.080 3.148 0.158 324 HB2 PHE 37 2HB PHE 37 -1.068 2.142 2.717 325 HB3 PHE 37 1HB PHE 37 -1.894 3.426 1.816 326 HD1 PHE 37 1HD PHE 37 -0.079 0.616 0.335 327 HD2 PHE 37 2HD PHE 37 -3.821 2.208 1.365 328 HE1 PHE 37 1HE PHE 37 -1.198 -1.108 -1.073 329 HE2 PHE 37 2HE PHE 37 -4.951 0.519 -0.017 330 HZ PHE 37 HZ PHE 37 -3.632 -1.132 -1.233 331 H THR 38 H THR 38 -0.014 5.269 0.173 332 HA THR 38 HA THR 38 0.751 6.573 2.666 333 HB THR 38 HB THR 38 1.410 7.533 -0.137 334 HG1 THR 38 1HG THR 38 2.468 5.592 1.071 335 HG21 THR 38 1HG2 THR 38 1.159 9.293 1.514 336 HG22 THR 38 2HG2 THR 38 2.872 9.120 1.084 337 HG23 THR 38 3HG2 THR 38 2.253 8.461 2.609 338 H THR 39 H THR 39 -0.588 8.157 3.326 339 HA THR 39 HA THR 39 -3.072 8.451 1.888 340 HB THR 39 HB THR 39 -3.692 9.828 3.927 341 HG1 THR 39 1HG THR 39 -1.853 8.696 5.469 342 HG21 THR 39 1HG2 THR 39 -4.367 7.494 3.701 343 HG22 THR 39 2HG2 THR 39 -3.947 7.851 5.377 344 HG23 THR 39 3HG2 THR 39 -2.815 6.972 4.347 345 H LYS 40 H LYS 40 -4.024 10.797 2.057 346 HA LYS 40 HA LYS 40 -2.322 12.548 0.590 347 HB2 LYS 40 2HB LYS 40 -4.730 13.442 2.139 348 HB3 LYS 40 1HB LYS 40 -4.155 14.070 0.604 349 HG2 LYS 40 2HG LYS 40 -4.855 11.590 -0.270 350 HG3 LYS 40 1HG LYS 40 -5.752 11.642 1.195 351 HD2 LYS 40 2HD LYS 40 -6.981 13.575 0.583 352 HD3 LYS 40 1HD LYS 40 -5.985 13.794 -0.862 353 HE2 LYS 40 2HE LYS 40 -6.761 11.655 -1.728 354 HE3 LYS 40 1HE LYS 40 -7.762 11.430 -0.307 355 HZ1 LYS 40 1HZ LYS 40 -8.990 13.466 -0.931 356 HZ2 LYS 40 2HZ LYS 40 -9.102 12.267 -2.109 357 HZ3 LYS 40 3HZ LYS 40 -8.074 13.565 -2.347 358 H LYS 41 H LYS 41 -2.905 11.910 3.853 359 HA LYS 41 HA LYS 41 -1.747 14.270 5.008 360 HB2 LYS 41 2HB LYS 41 -2.121 11.496 6.161 361 HB3 LYS 41 1HB LYS 41 -1.778 12.942 7.080 362 HG2 LYS 41 2HG LYS 41 -3.889 13.887 6.336 363 HG3 LYS 41 1HG LYS 41 -4.155 12.367 5.470 364 HD2 LYS 41 2HD LYS 41 -4.091 11.132 7.585 365 HD3 LYS 41 1HD LYS 41 -3.843 12.648 8.457 366 HE2 LYS 41 2HE LYS 41 -6.262 11.923 6.803 367 HE3 LYS 41 1HE LYS 41 -6.184 11.928 8.562 368 HZ1 LYS 41 1HZ LYS 41 -5.858 14.308 6.805 369 HZ2 LYS 41 2HZ LYS 41 -5.778 14.320 8.491 370 HZ3 LYS 41 3HZ LYS 41 -7.219 13.923 7.710 371 H GLY 42 H GLY 42 -0.645 11.579 3.362 372 HA2 GLY 42 2HA GLY 42 1.420 11.060 2.677 373 HA3 GLY 42 1HA GLY 42 2.051 12.338 3.682 374 H ARG 43 H ARG 43 0.058 10.201 5.350 375 HA ARG 43 HA ARG 43 2.188 9.081 6.920 376 HB2 ARG 43 2HB ARG 43 -0.677 8.286 6.674 377 HB3 ARG 43 1HB ARG 43 0.424 7.629 7.877 378 HG2 ARG 43 2HG ARG 43 0.693 9.916 8.810 379 HG3 ARG 43 1HG ARG 43 -0.505 10.493 7.648 380 HD2 ARG 43 2HD ARG 43 -1.522 10.075 9.846 381 HD3 ARG 43 1HD ARG 43 -2.181 8.996 8.615 382 HE ARG 43 HE ARG 43 -0.236 7.494 9.651 383 HH11 ARG 43 1HH1 ARG 43 -2.754 9.385 11.290 384 HH12 ARG 43 2HH1 ARG 43 -2.837 8.349 12.632 385 HH21 ARG 43 1HH2 ARG 43 -0.347 6.106 11.481 386 HH22 ARG 43 2HH2 ARG 43 -1.424 6.444 12.760 387 H LYS 44 H LYS 44 2.797 6.859 7.059 388 HA LYS 44 HA LYS 44 2.537 5.442 4.501 389 HB2 LYS 44 2HB LYS 44 4.625 5.208 6.674 390 HB3 LYS 44 1HB LYS 44 4.592 4.238 5.211 391 HG2 LYS 44 2HG LYS 44 4.877 7.244 5.281 392 HG3 LYS 44 1HG LYS 44 6.209 6.104 5.089 393 HD2 LYS 44 2HD LYS 44 5.211 5.287 3.022 394 HD3 LYS 44 1HD LYS 44 3.851 6.389 3.228 395 HE2 LYS 44 2HE LYS 44 5.349 8.298 3.059 396 HE3 LYS 44 1HE LYS 44 6.732 7.216 2.906 397 HZ1 LYS 44 1HZ LYS 44 4.453 7.235 1.020 398 HZ2 LYS 44 2HZ LYS 44 5.908 6.421 0.841 399 HZ3 LYS 44 3HZ LYS 44 5.873 8.106 0.740 400 H ILE 45 H ILE 45 1.356 3.697 4.437 401 HA ILE 45 HA ILE 45 0.717 2.282 6.937 402 HB ILE 45 HB ILE 45 -1.089 2.601 4.517 403 HG12 ILE 45 2HG1 ILE 45 -2.614 3.884 6.217 404 HG13 ILE 45 1HG1 ILE 45 -1.137 4.034 7.167 405 HG21 ILE 45 1HG2 ILE 45 -1.640 1.309 7.172 406 HG22 ILE 45 2HG2 ILE 45 -1.462 0.508 5.610 407 HG23 ILE 45 3HG2 ILE 45 -2.833 1.579 5.904 408 HD11 ILE 45 1HD1 ILE 45 -1.603 6.028 5.903 409 HD12 ILE 45 2HD1 ILE 45 -1.537 5.102 4.401 410 HD13 ILE 45 3HD1 ILE 45 -0.091 5.276 5.396 411 H CYS 46 H CYS 46 1.677 0.356 6.857 412 HA CYS 46 HA CYS 46 2.527 -0.900 4.377 413 HB2 CYS 46 2HB CYS 46 2.536 -1.929 7.207 414 HB3 CYS 46 1HB CYS 46 3.463 -2.637 5.907 415 H ALA 47 H ALA 47 1.064 -2.016 3.153 416 HA ALA 47 HA ALA 47 -1.086 -3.360 4.634 417 HB1 ALA 47 1HB ALA 47 -1.217 -2.166 1.878 418 HB2 ALA 47 2HB ALA 47 -1.861 -1.431 3.350 419 HB3 ALA 47 3HB ALA 47 -2.536 -2.946 2.753 420 H ASN 48 H ASN 48 -1.798 -5.373 3.949 421 HA ASN 48 HA ASN 48 0.152 -7.013 2.701 422 HB2 ASN 48 2HB ASN 48 -1.049 -8.004 4.443 423 HB3 ASN 48 1HB ASN 48 -2.611 -7.511 3.848 424 HD21 ASN 48 1HD2 ASN 48 0.040 -9.067 2.103 425 HD22 ASN 48 2HD2 ASN 48 -0.900 -10.484 1.701 426 HA PRO 49 HA PRO 49 -1.185 -5.977 -1.458 427 HB2 PRO 49 2HB PRO 49 0.437 -7.814 -2.654 428 HB3 PRO 49 1HB PRO 49 0.934 -6.170 -2.255 429 HG2 PRO 49 2HG PRO 49 1.433 -8.720 -0.796 430 HG3 PRO 49 1HG PRO 49 2.506 -7.324 -1.002 431 HD2 PRO 49 2HD PRO 49 1.225 -7.763 1.291 432 HD3 PRO 49 1HD PRO 49 1.460 -6.117 0.683 433 H ASN 50 H ASN 50 -1.215 -9.034 0.089 434 HA ASN 50 HA ASN 50 -2.682 -10.178 -2.053 435 HB2 ASN 50 2HB ASN 50 -1.826 -11.397 0.552 436 HB3 ASN 50 1HB ASN 50 -2.912 -12.227 -0.559 437 HD21 ASN 50 1HD2 ASN 50 0.401 -11.124 -0.054 438 HD22 ASN 50 2HD2 ASN 50 1.060 -11.965 -1.373 439 H GLU 51 H GLU 51 -3.571 -8.056 0.194 440 HA GLU 51 HA GLU 51 -6.170 -9.229 0.724 441 HB2 GLU 51 2HB GLU 51 -5.222 -6.440 1.394 442 HB3 GLU 51 1HB GLU 51 -6.707 -7.192 1.936 443 HG2 GLU 51 2HG GLU 51 -5.121 -8.964 3.046 444 HG3 GLU 51 1HG GLU 51 -3.935 -7.773 2.613 445 H LYS 52 H LYS 52 -7.942 -8.817 -0.286 446 HA LYS 52 HA LYS 52 -8.016 -7.961 -2.899 447 HB2 LYS 52 2HB LYS 52 -9.733 -9.379 -1.900 448 HB3 LYS 52 1HB LYS 52 -10.272 -8.054 -0.889 449 HG2 LYS 52 2HG LYS 52 -10.994 -6.830 -2.871 450 HG3 LYS 52 1HG LYS 52 -10.451 -8.167 -3.888 451 HD2 LYS 52 2HD LYS 52 -12.021 -9.666 -2.754 452 HD3 LYS 52 1HD LYS 52 -12.560 -8.334 -1.732 453 HE2 LYS 52 2HE LYS 52 -14.138 -8.689 -3.538 454 HE3 LYS 52 1HE LYS 52 -13.326 -7.138 -3.734 455 HZ1 LYS 52 1HZ LYS 52 -12.680 -9.637 -5.208 456 HZ2 LYS 52 2HZ LYS 52 -11.856 -8.214 -5.397 457 HZ3 LYS 52 3HZ LYS 52 -13.479 -8.309 -5.838 458 H TRP 53 H TRP 53 -8.689 -6.049 0.035 459 HA TRP 53 HA TRP 53 -9.619 -3.783 -1.372 460 HB2 TRP 53 2HB TRP 53 -9.441 -2.500 0.677 461 HB3 TRP 53 1HB TRP 53 -10.052 -4.089 1.075 462 HD1 TRP 53 HD TRP 53 -8.327 -5.707 2.522 463 HE1 TRP 53 1HE TRP 53 -6.411 -5.108 4.050 464 HE3 TRP 53 3HE TRP 53 -7.527 -0.892 0.984 465 HZ2 TRP 53 2HZ TRP 53 -4.727 -2.912 4.572 466 HZ3 TRP 53 3HZ TRP 53 -5.727 0.377 2.062 467 HH2 TRP 53 HH TRP 53 -4.357 -0.609 3.817 468 H VAL 54 H VAL 54 -6.461 -4.875 -0.539 469 HA VAL 54 HA VAL 54 -5.091 -2.446 -1.092 470 HB VAL 54 HB VAL 54 -4.078 -5.299 -0.868 471 HG11 VAL 54 1HG1 VAL 54 -2.490 -2.735 -1.023 472 HG12 VAL 54 2HG1 VAL 54 -2.516 -4.005 -2.246 473 HG13 VAL 54 3HG1 VAL 54 -1.829 -4.309 -0.639 474 HG21 VAL 54 1HG2 VAL 54 -3.939 -2.968 1.009 475 HG22 VAL 54 2HG2 VAL 54 -3.258 -4.573 1.297 476 HG23 VAL 54 3HG2 VAL 54 -5.006 -4.358 1.168 477 H GLN 55 H GLN 55 -5.727 -5.407 -2.818 478 HA GLN 55 HA GLN 55 -4.266 -4.782 -5.120 479 HB2 GLN 55 2HB GLN 55 -6.653 -6.589 -4.850 480 HB3 GLN 55 1HB GLN 55 -5.483 -6.595 -6.177 481 HG2 GLN 55 2HG GLN 55 -3.703 -6.959 -4.485 482 HG3 GLN 55 1HG GLN 55 -4.972 -7.195 -3.298 483 HE21 GLN 55 1HE2 GLN 55 -2.934 -8.868 -4.147 484 HE22 GLN 55 2HE2 GLN 55 -3.611 -10.308 -4.761 485 H LYS 56 H LYS 56 -7.574 -4.245 -4.122 486 HA LYS 56 HA LYS 56 -8.690 -3.116 -6.418 487 HB2 LYS 56 2HB LYS 56 -9.968 -3.859 -4.479 488 HB3 LYS 56 1HB LYS 56 -9.203 -2.637 -3.485 489 HG2 LYS 56 2HG LYS 56 -10.240 -0.904 -4.805 490 HG3 LYS 56 1HG LYS 56 -11.031 -2.138 -5.802 491 HD2 LYS 56 2HD LYS 56 -12.167 -2.988 -3.831 492 HD3 LYS 56 1HD LYS 56 -11.380 -1.766 -2.832 493 HE2 LYS 56 2HE LYS 56 -12.483 -0.009 -4.161 494 HE3 LYS 56 1HE LYS 56 -13.298 -1.253 -5.106 495 HZ1 LYS 56 1HZ LYS 56 -14.350 -2.027 -3.043 496 HZ2 LYS 56 2HZ LYS 56 -14.733 -0.418 -3.375 497 HZ3 LYS 56 3HZ LYS 56 -13.597 -0.778 -2.200 498 H ALA 57 H ALA 57 -7.026 -1.688 -3.632 499 HA ALA 57 HA ALA 57 -7.187 0.991 -4.488 500 HB1 ALA 57 1HB ALA 57 -5.451 1.419 -2.810 501 HB2 ALA 57 2HB ALA 57 -5.223 -0.311 -2.600 502 HB3 ALA 57 3HB ALA 57 -6.768 0.453 -2.157 503 H MET 58 H MET 58 -4.645 -1.435 -4.809 504 HA MET 58 HA MET 58 -2.788 0.214 -5.935 505 HB2 MET 58 2HB MET 58 -3.040 -2.768 -6.255 506 HB3 MET 58 1HB MET 58 -1.697 -1.845 -6.912 507 HG2 MET 58 2HG MET 58 -1.276 -1.015 -4.568 508 HG3 MET 58 1HG MET 58 -2.446 -2.209 -4.021 509 HE1 MET 58 1HE MET 58 -0.602 -5.543 -5.024 510 HE2 MET 58 2HE MET 58 -1.821 -4.702 -5.994 511 HE3 MET 58 3HE MET 58 -2.045 -4.889 -4.244 512 H LYS 59 H LYS 59 -5.378 -1.500 -7.483 513 HA LYS 59 HA LYS 59 -4.518 -0.912 -10.108 514 HB2 LYS 59 2HB LYS 59 -7.261 -1.558 -9.050 515 HB3 LYS 59 1HB LYS 59 -6.902 -1.383 -10.760 516 HG2 LYS 59 2HG LYS 59 -5.272 -3.228 -10.579 517 HG3 LYS 59 1HG LYS 59 -5.718 -3.421 -8.888 518 HD2 LYS 59 2HD LYS 59 -7.635 -3.686 -11.205 519 HD3 LYS 59 1HD LYS 59 -6.842 -5.041 -10.411 520 HE2 LYS 59 2HE LYS 59 -7.930 -4.418 -8.301 521 HE3 LYS 59 1HE LYS 59 -8.719 -3.064 -9.109 522 HZ1 LYS 59 1HZ LYS 59 -10.168 -4.982 -8.906 523 HZ2 LYS 59 2HZ LYS 59 -9.113 -5.928 -9.809 524 HZ3 LYS 59 3HZ LYS 59 -9.889 -4.621 -10.523 525 H HIS 60 H HIS 60 -6.683 0.767 -7.870 526 HA HIS 60 HA HIS 60 -7.373 2.792 -9.705 527 HB2 HIS 60 2HB HIS 60 -8.836 2.287 -7.926 528 HB3 HIS 60 1HB HIS 60 -7.574 2.540 -6.716 529 HD1 HIS 60 1HD HIS 60 -9.901 4.424 -9.031 530 HD2 HIS 60 2HD HIS 60 -7.326 5.111 -5.873 531 HE1 HIS 60 1HE HIS 60 -10.344 6.798 -8.332 532 HE2 HIS 60 2HE HIS 60 -8.921 7.123 -6.276 533 H LEU 61 H LEU 61 -4.832 2.439 -7.342 534 HA LEU 61 HA LEU 61 -4.007 5.166 -7.507 535 HB2 LEU 61 2HB LEU 61 -2.626 2.745 -6.382 536 HB3 LEU 61 1HB LEU 61 -2.023 4.384 -6.222 537 HG LEU 61 HG LEU 61 -4.693 3.451 -5.152 538 HD11 LEU 61 1HD1 LEU 61 -2.074 3.859 -3.716 539 HD12 LEU 61 2HD1 LEU 61 -2.963 2.332 -3.935 540 HD13 LEU 61 3HD1 LEU 61 -3.645 3.616 -2.959 541 HD21 LEU 61 1HD2 LEU 61 -3.128 5.987 -4.731 542 HD22 LEU 61 2HD2 LEU 61 -4.626 5.558 -3.900 543 HD23 LEU 61 3HD2 LEU 61 -4.631 5.834 -5.645 544 H ASP 62 H ASP 62 -3.279 2.349 -9.370 545 HA ASP 62 HA ASP 62 -0.915 3.551 -10.595 546 HB2 ASP 62 2HB ASP 62 -0.949 1.146 -10.238 547 HB3 ASP 62 1HB ASP 62 -2.440 1.050 -11.180 548 H LYS 63 H LYS 63 -4.290 2.995 -11.316 549 HA LYS 63 HA LYS 63 -3.992 4.885 -13.410 550 HB2 LYS 63 2HB LYS 63 -5.804 3.683 -14.787 551 HB3 LYS 63 1HB LYS 63 -4.162 3.096 -14.872 552 HG2 LYS 63 2HG LYS 63 -6.231 1.821 -13.090 553 HG3 LYS 63 1HG LYS 63 -6.036 1.406 -14.798 554 HD2 LYS 63 2HD LYS 63 -3.680 0.807 -14.367 555 HD3 LYS 63 1HD LYS 63 -3.905 1.213 -12.669 556 HE2 LYS 63 2HE LYS 63 -5.522 -0.574 -12.426 557 HE3 LYS 63 1HE LYS 63 -5.419 -0.936 -14.149 558 HZ1 LYS 63 1HZ LYS 63 -3.168 -1.236 -12.194 559 HZ2 LYS 63 2HZ LYS 63 -3.104 -1.538 -13.844 560 HZ3 LYS 63 3HZ LYS 63 -4.070 -2.486 -12.891 561 H LYS 64 H LYS 64 -4.571 6.318 -12.169 562 HA LYS 64 HA LYS 64 -7.290 6.346 -11.109 563 HB2 LYS 64 2HB LYS 64 -6.390 8.381 -9.820 564 HB3 LYS 64 1HB LYS 64 -5.770 6.797 -9.371 565 HG2 LYS 64 2HG LYS 64 -3.787 7.213 -10.774 566 HG3 LYS 64 1HG LYS 64 -4.373 8.849 -11.088 567 HD2 LYS 64 2HD LYS 64 -4.213 9.351 -8.717 568 HD3 LYS 64 1HD LYS 64 -3.726 7.688 -8.377 569 HE2 LYS 64 2HE LYS 64 -2.206 9.680 -10.062 570 HE3 LYS 64 1HE LYS 64 -1.780 9.165 -8.432 571 HZ1 LYS 64 1HZ LYS 64 -1.431 6.886 -9.300 572 HZ2 LYS 64 2HZ LYS 64 -0.478 7.997 -10.110 573 HZ3 LYS 64 3HZ LYS 64 -1.857 7.409 -10.840 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 13.894 7.832 2.736 2 H2 ALA 1 2HT ALA 1 12.819 6.671 3.332 3 H3 ALA 1 3HT ALA 1 14.352 6.213 2.877 4 HA ALA 1 HA ALA 1 15.309 7.442 4.702 5 HB1 ALA 1 1HB ALA 1 13.617 9.226 4.766 6 HB2 ALA 1 2HB ALA 1 13.839 8.477 6.349 7 HB3 ALA 1 3HB ALA 1 12.437 8.061 5.372 8 H ARG 2 H ARG 2 15.796 6.181 6.462 9 HA ARG 2 HA ARG 2 15.830 4.429 7.849 10 HB2 ARG 2 2HB ARG 2 12.825 4.320 7.385 11 HB3 ARG 2 1HB ARG 2 13.688 3.433 8.632 12 HG2 ARG 2 2HG ARG 2 13.658 6.435 8.437 13 HG3 ARG 2 1HG ARG 2 12.514 5.499 9.400 14 HD2 ARG 2 2HD ARG 2 15.514 5.407 9.716 15 HD3 ARG 2 1HD ARG 2 14.433 6.384 10.703 16 HE ARG 2 HE ARG 2 13.451 3.824 10.798 17 HH11 ARG 2 1HH1 ARG 2 16.453 5.404 11.787 18 HH12 ARG 2 2HH1 ARG 2 16.738 4.349 13.086 19 HH21 ARG 2 1HH2 ARG 2 13.802 2.437 12.521 20 HH22 ARG 2 2HH2 ARG 2 15.183 2.583 13.534 21 H LYS 3 H LYS 3 13.191 3.204 5.953 22 HA LYS 3 HA LYS 3 14.680 1.645 4.128 23 HB2 LYS 3 2HB LYS 3 13.346 0.264 6.484 24 HB3 LYS 3 1HB LYS 3 13.557 -0.537 4.945 25 HG2 LYS 3 2HG LYS 3 15.810 0.525 6.647 26 HG3 LYS 3 1HG LYS 3 15.255 -1.153 6.644 27 HD2 LYS 3 2HD LYS 3 15.797 -1.327 4.260 28 HD3 LYS 3 1HD LYS 3 16.330 0.354 4.254 29 HE2 LYS 3 2HE LYS 3 18.109 -0.196 5.829 30 HE3 LYS 3 1HE LYS 3 17.548 -1.866 5.895 31 HZ1 LYS 3 1HZ LYS 3 18.168 -2.159 3.597 32 HZ2 LYS 3 2HZ LYS 3 19.465 -1.508 4.401 33 HZ3 LYS 3 3HZ LYS 3 18.542 -0.539 3.410 34 H SER 4 H SER 4 13.293 1.008 2.492 35 HA SER 4 HA SER 4 10.565 2.005 2.691 36 HB2 SER 4 2HB SER 4 12.078 0.775 0.352 37 HB3 SER 4 1HB SER 4 10.520 1.598 0.263 38 HG SER 4 HG SER 4 13.032 2.663 0.948 39 H CYS 5 H CYS 5 11.476 -0.221 4.241 40 HA CYS 5 HA CYS 5 10.018 -2.486 3.091 41 HB2 CYS 5 2HB CYS 5 12.300 -2.530 5.076 42 HB3 CYS 5 1HB CYS 5 11.459 -3.932 4.438 43 H CYS 6 H CYS 6 8.469 -3.334 4.277 44 HA CYS 6 HA CYS 6 7.986 -2.426 7.005 45 HB2 CYS 6 2HB CYS 6 6.237 -3.401 4.799 46 HB3 CYS 6 1HB CYS 6 5.656 -3.151 6.449 47 H LEU 7 H LEU 7 7.704 -4.027 8.477 48 HA LEU 7 HA LEU 7 8.237 -6.749 7.568 49 HB2 LEU 7 2HB LEU 7 8.542 -5.522 10.323 50 HB3 LEU 7 1HB LEU 7 8.754 -7.223 9.989 51 HG LEU 7 HG LEU 7 10.683 -6.610 8.488 52 HD11 LEU 7 1HD1 LEU 7 11.731 -4.423 8.732 53 HD12 LEU 7 2HD1 LEU 7 10.361 -3.872 9.697 54 HD13 LEU 7 3HD1 LEU 7 10.128 -4.304 8.002 55 HD21 LEU 7 1HD2 LEU 7 11.046 -7.414 10.743 56 HD22 LEU 7 2HD2 LEU 7 10.886 -5.775 11.372 57 HD23 LEU 7 3HD2 LEU 7 12.244 -6.188 10.323 58 H LYS 8 H LYS 8 5.830 -4.715 8.756 59 HA LYS 8 HA LYS 8 4.105 -7.019 9.314 60 HB2 LYS 8 2HB LYS 8 3.998 -4.284 10.584 61 HB3 LYS 8 1HB LYS 8 2.845 -5.574 10.870 62 HG2 LYS 8 2HG LYS 8 4.677 -6.934 11.838 63 HG3 LYS 8 1HG LYS 8 5.765 -5.562 11.627 64 HD2 LYS 8 2HD LYS 8 3.245 -5.563 13.296 65 HD3 LYS 8 1HD LYS 8 4.884 -5.699 13.931 66 HE2 LYS 8 2HE LYS 8 5.391 -3.459 13.061 67 HE3 LYS 8 1HE LYS 8 3.764 -3.349 12.391 68 HZ1 LYS 8 1HZ LYS 8 2.858 -3.413 14.608 69 HZ2 LYS 8 2HZ LYS 8 3.987 -2.189 14.504 70 HZ3 LYS 8 3HZ LYS 8 4.380 -3.620 15.294 71 H TYR 9 H TYR 9 1.816 -6.521 8.899 72 HA TYR 9 HA TYR 9 1.437 -4.550 6.758 73 HB2 TYR 9 2HB TYR 9 -0.388 -7.008 7.118 74 HB3 TYR 9 1HB TYR 9 -0.208 -5.910 5.815 75 HD1 TYR 9 1HD TYR 9 1.333 -6.175 4.133 76 HD2 TYR 9 2HD TYR 9 1.403 -8.788 7.457 77 HE1 TYR 9 1HE TYR 9 2.796 -7.718 2.878 78 HE2 TYR 9 2HE TYR 9 2.871 -10.342 6.224 79 HH TYR 9 HH TYR 9 4.400 -9.414 3.334 80 H THR 10 H THR 10 -0.578 -3.367 6.964 81 HA THR 10 HA THR 10 -1.293 -2.896 9.619 82 HB THR 10 HB THR 10 -1.370 -1.055 8.037 83 HG1 THR 10 1HG THR 10 -4.019 -0.935 8.360 84 HG21 THR 10 1HG2 THR 10 -3.127 -0.917 6.301 85 HG22 THR 10 2HG2 THR 10 -3.569 -2.602 6.633 86 HG23 THR 10 3HG2 THR 10 -1.957 -2.196 6.019 87 H LYS 11 H LYS 11 -3.124 -3.379 10.690 88 HA LYS 11 HA LYS 11 -4.557 -5.726 9.733 89 HB2 LYS 11 2HB LYS 11 -4.704 -4.335 12.407 90 HB3 LYS 11 1HB LYS 11 -5.310 -5.942 12.018 91 HG2 LYS 11 2HG LYS 11 -3.029 -6.702 11.605 92 HG3 LYS 11 1HG LYS 11 -2.425 -5.096 12.012 93 HD2 LYS 11 2HD LYS 11 -3.455 -5.352 14.258 94 HD3 LYS 11 1HD LYS 11 -3.884 -7.005 13.823 95 HE2 LYS 11 2HE LYS 11 -1.096 -5.862 13.958 96 HE3 LYS 11 1HE LYS 11 -1.825 -6.972 15.116 97 HZ1 LYS 11 1HZ LYS 11 -1.957 -8.635 13.360 98 HZ2 LYS 11 2HZ LYS 11 -0.368 -8.117 13.588 99 HZ3 LYS 11 3HZ LYS 11 -1.243 -7.577 12.258 100 H ARG 12 H ARG 12 -4.882 -2.382 10.043 101 HA ARG 12 HA ARG 12 -7.790 -2.509 9.795 102 HB2 ARG 12 2HB ARG 12 -6.954 -1.168 11.676 103 HB3 ARG 12 1HB ARG 12 -5.986 -0.205 10.573 104 HG2 ARG 12 2HG ARG 12 -8.006 0.654 9.530 105 HG3 ARG 12 1HG ARG 12 -8.997 -0.339 10.594 106 HD2 ARG 12 2HD ARG 12 -8.074 0.834 12.538 107 HD3 ARG 12 1HD ARG 12 -7.097 1.833 11.475 108 HE ARG 12 HE ARG 12 -9.942 1.910 10.967 109 HH11 ARG 12 1HH1 ARG 12 -7.221 3.415 12.680 110 HH12 ARG 12 2HH1 ARG 12 -8.012 4.886 12.929 111 HH21 ARG 12 1HH2 ARG 12 -11.013 3.931 11.309 112 HH22 ARG 12 2HH2 ARG 12 -10.232 5.213 12.134 113 HA PRO 13 HA PRO 13 -6.986 -1.552 5.494 114 HB2 PRO 13 2HB PRO 13 -9.565 -1.217 4.736 115 HB3 PRO 13 1HB PRO 13 -8.856 -2.808 5.020 116 HG2 PRO 13 2HG PRO 13 -10.563 -1.147 6.829 117 HG3 PRO 13 1HG PRO 13 -10.662 -2.885 6.492 118 HD2 PRO 13 2HD PRO 13 -9.499 -1.915 8.715 119 HD3 PRO 13 1HD PRO 13 -8.917 -3.390 7.914 120 H LEU 14 H LEU 14 -7.280 0.240 4.053 121 HA LEU 14 HA LEU 14 -7.964 2.789 5.357 122 HB2 LEU 14 2HB LEU 14 -6.214 2.216 2.974 123 HB3 LEU 14 1HB LEU 14 -6.615 3.808 3.560 124 HG LEU 14 HG LEU 14 -4.971 1.769 5.057 125 HD11 LEU 14 1HD1 LEU 14 -3.895 2.579 3.021 126 HD12 LEU 14 2HD1 LEU 14 -3.099 3.253 4.437 127 HD13 LEU 14 3HD1 LEU 14 -4.221 4.240 3.496 128 HD21 LEU 14 1HD2 LEU 14 -6.162 3.353 6.519 129 HD22 LEU 14 2HD2 LEU 14 -5.524 4.692 5.565 130 HD23 LEU 14 3HD2 LEU 14 -4.419 3.687 6.491 131 HA PRO 15 HA PRO 15 -11.033 2.943 2.044 132 HB2 PRO 15 2HB PRO 15 -11.202 5.823 2.546 133 HB3 PRO 15 1HB PRO 15 -12.449 4.600 2.795 134 HG2 PRO 15 2HG PRO 15 -11.226 5.882 4.852 135 HG3 PRO 15 1HG PRO 15 -11.837 4.225 4.977 136 HD2 PRO 15 2HD PRO 15 -9.035 5.189 4.580 137 HD3 PRO 15 1HD PRO 15 -9.647 3.838 5.563 138 H LEU 16 H LEU 16 -10.656 3.378 -0.086 139 HA LEU 16 HA LEU 16 -8.124 4.290 -0.902 140 HB2 LEU 16 2HB LEU 16 -9.255 2.686 -2.216 141 HB3 LEU 16 1HB LEU 16 -10.642 3.779 -2.449 142 HG LEU 16 HG LEU 16 -9.094 5.185 -3.785 143 HD11 LEU 16 1HD1 LEU 16 -6.986 4.169 -4.544 144 HD12 LEU 16 2HD1 LEU 16 -7.248 2.824 -3.434 145 HD13 LEU 16 3HD1 LEU 16 -6.986 4.450 -2.808 146 HD21 LEU 16 1HD2 LEU 16 -9.475 2.332 -4.564 147 HD22 LEU 16 2HD2 LEU 16 -9.162 3.692 -5.678 148 HD23 LEU 16 3HD2 LEU 16 -10.637 3.669 -4.701 149 H LYS 17 H LYS 17 -11.126 5.807 -0.547 150 HA LYS 17 HA LYS 17 -10.827 8.246 -1.863 151 HB2 LYS 17 2HB LYS 17 -12.126 7.705 0.803 152 HB3 LYS 17 1HB LYS 17 -12.368 9.146 -0.165 153 HG2 LYS 17 2HG LYS 17 -13.428 7.878 -1.886 154 HG3 LYS 17 1HG LYS 17 -13.062 6.361 -1.065 155 HD2 LYS 17 2HD LYS 17 -14.457 7.093 0.824 156 HD3 LYS 17 1HD LYS 17 -14.851 8.571 -0.052 157 HE2 LYS 17 2HE LYS 17 -15.845 7.220 -1.847 158 HE3 LYS 17 1HE LYS 17 -15.453 5.756 -0.951 159 HZ1 LYS 17 1HZ LYS 17 -17.743 6.369 -0.593 160 HZ2 LYS 17 2HZ LYS 17 -17.306 7.899 -0.052 161 HZ3 LYS 17 3HZ LYS 17 -16.901 6.545 0.844 162 H ARG 18 H ARG 18 -8.868 7.027 0.597 163 HA ARG 18 HA ARG 18 -8.103 9.760 1.515 164 HB2 ARG 18 2HB ARG 18 -8.017 7.239 3.169 165 HB3 ARG 18 1HB ARG 18 -7.626 8.861 3.710 166 HG2 ARG 18 2HG ARG 18 -10.342 7.895 2.842 167 HG3 ARG 18 1HG ARG 18 -9.820 8.136 4.501 168 HD2 ARG 18 2HD ARG 18 -10.053 10.277 2.380 169 HD3 ARG 18 1HD ARG 18 -11.208 9.982 3.675 170 HE ARG 18 HE ARG 18 -8.481 10.547 4.481 171 HH11 ARG 18 1HH1 ARG 18 -11.755 11.810 3.979 172 HH12 ARG 18 2HH1 ARG 18 -11.503 13.217 4.913 173 HH21 ARG 18 1HH2 ARG 18 -8.160 12.488 5.767 174 HH22 ARG 18 2HH2 ARG 18 -9.426 13.615 5.916 175 H ILE 19 H ILE 19 -7.017 7.521 -0.451 176 HA ILE 19 HA ILE 19 -4.300 7.396 0.670 177 HB ILE 19 HB ILE 19 -5.506 5.629 -1.495 178 HG12 ILE 19 2HG1 ILE 19 -4.964 4.927 1.384 179 HG13 ILE 19 1HG1 ILE 19 -6.564 5.394 0.796 180 HG21 ILE 19 1HG2 ILE 19 -2.941 5.360 0.132 181 HG22 ILE 19 2HG2 ILE 19 -3.024 5.794 -1.571 182 HG23 ILE 19 3HG2 ILE 19 -3.526 4.193 -1.042 183 HD11 ILE 19 1HD1 ILE 19 -6.517 3.439 -0.729 184 HD12 ILE 19 2HD1 ILE 19 -6.350 2.969 0.963 185 HD13 ILE 19 3HD1 ILE 19 -4.949 3.036 -0.125 186 H LYS 20 H LYS 20 -2.727 8.407 -0.404 187 HA LYS 20 HA LYS 20 -3.423 9.885 -2.775 188 HB2 LYS 20 2HB LYS 20 -0.797 9.895 -1.251 189 HB3 LYS 20 1HB LYS 20 -1.256 11.024 -2.498 190 HG2 LYS 20 2HG LYS 20 -2.464 10.737 0.178 191 HG3 LYS 20 1HG LYS 20 -1.452 12.045 -0.423 192 HD2 LYS 20 2HD LYS 20 -4.225 11.305 -1.315 193 HD3 LYS 20 1HD LYS 20 -3.808 12.649 -0.307 194 HE2 LYS 20 2HE LYS 20 -4.177 13.629 -2.443 195 HE3 LYS 20 1HE LYS 20 -2.440 13.612 -2.201 196 HZ1 LYS 20 1HZ LYS 20 -3.115 12.987 -4.439 197 HZ2 LYS 20 2HZ LYS 20 -3.960 11.670 -3.876 198 HZ3 LYS 20 3HZ LYS 20 -2.276 11.740 -3.724 199 H SER 21 H SER 21 -1.107 7.295 -1.810 200 HA SER 21 HA SER 21 -0.903 6.158 -4.349 201 HB2 SER 21 2HB SER 21 1.478 6.814 -4.848 202 HB3 SER 21 1HB SER 21 0.313 8.124 -5.046 203 HG SER 21 HG SER 21 2.346 7.754 -3.231 204 H TYR 22 H TYR 22 1.163 4.618 -4.385 205 HA TYR 22 HA TYR 22 1.889 3.829 -1.640 206 HB2 TYR 22 2HB TYR 22 1.387 1.531 -2.027 207 HB3 TYR 22 1HB TYR 22 -0.049 2.448 -2.419 208 HD1 TYR 22 1HD TYR 22 -1.043 2.179 -4.509 209 HD2 TYR 22 2HD TYR 22 2.867 0.710 -3.917 210 HE1 TYR 22 1HE TYR 22 -1.156 0.969 -6.661 211 HE2 TYR 22 2HE TYR 22 2.768 -0.475 -6.041 212 HH TYR 22 HH TYR 22 0.352 -0.008 -8.359 213 H THR 23 H THR 23 3.564 2.174 -1.646 214 HA THR 23 HA THR 23 5.517 2.474 -3.836 215 HB THR 23 HB THR 23 6.010 2.081 -0.870 216 HG1 THR 23 1HG THR 23 6.058 4.286 -2.581 217 HG21 THR 23 1HG2 THR 23 7.685 0.979 -2.254 218 HG22 THR 23 2HG2 THR 23 8.393 2.368 -1.418 219 HG23 THR 23 3HG2 THR 23 7.979 2.476 -3.137 220 H ILE 24 H ILE 24 6.368 0.549 -4.634 221 HA ILE 24 HA ILE 24 5.134 -1.913 -3.718 222 HB ILE 24 HB ILE 24 7.032 -1.456 -6.049 223 HG12 ILE 24 2HG1 ILE 24 4.054 -1.889 -6.018 224 HG13 ILE 24 1HG1 ILE 24 4.832 -0.318 -6.286 225 HG21 ILE 24 1HG2 ILE 24 5.365 -3.871 -5.308 226 HG22 ILE 24 2HG2 ILE 24 7.124 -3.760 -5.230 227 HG23 ILE 24 3HG2 ILE 24 6.297 -3.702 -6.790 228 HD11 ILE 24 1HD1 ILE 24 4.998 -2.764 -8.051 229 HD12 ILE 24 2HD1 ILE 24 5.840 -1.239 -8.344 230 HD13 ILE 24 3HD1 ILE 24 4.076 -1.298 -8.374 231 H GLN 25 H GLN 25 6.073 -2.868 -2.052 232 HA GLN 25 HA GLN 25 8.967 -2.853 -1.783 233 HB2 GLN 25 2HB GLN 25 7.904 -2.422 0.249 234 HB3 GLN 25 1HB GLN 25 6.704 -3.675 0.047 235 HG2 GLN 25 2HG GLN 25 8.451 -5.359 0.350 236 HG3 GLN 25 1HG GLN 25 9.623 -4.064 0.600 237 HE21 GLN 25 1HE2 GLN 25 8.593 -6.203 2.371 238 HE22 GLN 25 2HE2 GLN 25 8.088 -5.408 3.810 239 H SER 26 H SER 26 10.085 -4.422 -2.722 240 HA SER 26 HA SER 26 8.696 -6.903 -3.235 241 HB2 SER 26 2HB SER 26 10.586 -7.394 -4.767 242 HB3 SER 26 1HB SER 26 9.719 -5.921 -5.204 243 HG SER 26 HG SER 26 12.097 -5.936 -5.189 244 H ASN 27 H ASN 27 9.644 -8.932 -2.658 245 HA ASN 27 HA ASN 27 10.820 -8.916 -0.093 246 HB2 ASN 27 2HB ASN 27 9.008 -10.379 -1.150 247 HB3 ASN 27 1HB ASN 27 10.307 -11.174 -2.008 248 HD21 ASN 27 1HD2 ASN 27 8.327 -12.012 -0.105 249 HD22 ASN 27 2HD2 ASN 27 9.190 -12.833 1.149 250 H GLU 28 H GLU 28 12.178 -8.276 -2.934 251 HA GLU 28 HA GLU 28 14.476 -9.973 -3.108 252 HB2 GLU 28 2HB GLU 28 14.134 -7.143 -4.053 253 HB3 GLU 28 1HB GLU 28 15.345 -8.296 -4.584 254 HG2 GLU 28 2HG GLU 28 13.639 -9.644 -5.618 255 HG3 GLU 28 1HG GLU 28 12.387 -8.543 -5.024 256 H ALA 29 H ALA 29 13.834 -6.730 -1.842 257 HA ALA 29 HA ALA 29 16.473 -6.714 -0.566 258 HB1 ALA 29 1HB ALA 29 16.255 -4.294 -0.466 259 HB2 ALA 29 2HB ALA 29 14.631 -4.401 -1.144 260 HB3 ALA 29 3HB ALA 29 16.025 -4.870 -2.118 261 H CYS 30 H CYS 30 13.081 -6.639 0.028 262 HA CYS 30 HA CYS 30 13.519 -6.011 2.855 263 HB2 CYS 30 2HB CYS 30 10.985 -6.090 1.232 264 HB3 CYS 30 1HB CYS 30 11.146 -5.536 2.896 265 H ASN 31 H ASN 31 12.145 -7.293 4.376 266 HA ASN 31 HA ASN 31 12.733 -10.018 4.062 267 HB2 ASN 31 2HB ASN 31 11.549 -10.364 6.194 268 HB3 ASN 31 1HB ASN 31 12.653 -9.001 6.281 269 HD21 ASN 31 1HD2 ASN 31 10.224 -9.717 7.814 270 HD22 ASN 31 2HD2 ASN 31 9.203 -8.335 7.735 271 H ILE 32 H ILE 32 9.854 -8.186 3.459 272 HA ILE 32 HA ILE 32 8.519 -10.586 2.391 273 HB ILE 32 HB ILE 32 6.371 -9.877 3.389 274 HG12 ILE 32 2HG1 ILE 32 8.025 -7.787 4.827 275 HG13 ILE 32 1HG1 ILE 32 6.830 -7.476 3.578 276 HG21 ILE 32 1HG2 ILE 32 8.550 -10.179 5.403 277 HG22 ILE 32 2HG2 ILE 32 7.671 -11.508 4.613 278 HG23 ILE 32 3HG2 ILE 32 6.836 -10.414 5.735 279 HD11 ILE 32 1HD1 ILE 32 6.284 -8.635 6.303 280 HD12 ILE 32 2HD1 ILE 32 5.075 -8.313 5.061 281 HD13 ILE 32 3HD1 ILE 32 5.964 -6.977 5.793 282 H LYS 33 H LYS 33 6.430 -9.764 1.229 283 HA LYS 33 HA LYS 33 7.089 -7.312 -0.118 284 HB2 LYS 33 2HB LYS 33 6.651 -9.188 -1.645 285 HB3 LYS 33 1HB LYS 33 5.090 -9.469 -0.883 286 HG2 LYS 33 2HG LYS 33 4.302 -7.290 -1.655 287 HG3 LYS 33 1HG LYS 33 5.863 -6.988 -2.399 288 HD2 LYS 33 2HD LYS 33 5.516 -8.869 -3.913 289 HD3 LYS 33 1HD LYS 33 3.964 -9.212 -3.139 290 HE2 LYS 33 2HE LYS 33 3.141 -7.007 -3.800 291 HE3 LYS 33 1HE LYS 33 4.689 -6.642 -4.557 292 HZ1 LYS 33 1HZ LYS 33 2.812 -8.796 -5.387 293 HZ2 LYS 33 2HZ LYS 33 4.276 -8.430 -6.145 294 HZ3 LYS 33 3HZ LYS 33 3.016 -7.318 -6.145 295 H ALA 34 H ALA 34 6.078 -5.570 0.807 296 HA ALA 34 HA ALA 34 3.301 -5.823 1.649 297 HB1 ALA 34 1HB ALA 34 4.640 -6.023 3.722 298 HB2 ALA 34 2HB ALA 34 3.792 -4.487 3.695 299 HB3 ALA 34 3HB ALA 34 5.503 -4.548 3.300 300 H ILE 35 H ILE 35 2.271 -4.385 0.397 301 HA ILE 35 HA ILE 35 3.653 -2.277 -0.928 302 HB ILE 35 HB ILE 35 0.683 -2.761 -0.590 303 HG12 ILE 35 2HG1 ILE 35 1.900 -4.595 -1.648 304 HG13 ILE 35 1HG1 ILE 35 0.785 -3.834 -2.787 305 HG21 ILE 35 1HG2 ILE 35 0.420 -1.309 -2.590 306 HG22 ILE 35 2HG2 ILE 35 2.139 -0.977 -2.548 307 HG23 ILE 35 3HG2 ILE 35 1.115 -0.437 -1.230 308 HD11 ILE 35 1HD1 ILE 35 2.804 -4.393 -3.869 309 HD12 ILE 35 2HD1 ILE 35 3.789 -3.559 -2.650 310 HD13 ILE 35 3HD1 ILE 35 2.740 -2.641 -3.748 311 H ILE 36 H ILE 36 3.907 -0.147 -0.323 312 HA ILE 36 HA ILE 36 2.896 0.455 2.352 313 HB ILE 36 HB ILE 36 5.066 1.969 0.853 314 HG12 ILE 36 2HG1 ILE 36 6.604 0.946 2.674 315 HG13 ILE 36 1HG1 ILE 36 5.335 -0.251 2.876 316 HG21 ILE 36 1HG2 ILE 36 3.945 3.312 2.484 317 HG22 ILE 36 2HG2 ILE 36 5.602 2.924 2.984 318 HG23 ILE 36 3HG2 ILE 36 4.239 2.072 3.720 319 HD11 ILE 36 1HD1 ILE 36 5.585 -0.888 0.564 320 HD12 ILE 36 2HD1 ILE 36 7.106 -1.016 1.472 321 HD13 ILE 36 3HD1 ILE 36 6.830 0.355 0.382 322 H PHE 37 H PHE 37 1.118 1.520 2.324 323 HA PHE 37 HA PHE 37 0.292 3.186 0.139 324 HB2 PHE 37 2HB PHE 37 -0.885 2.085 2.631 325 HB3 PHE 37 1HB PHE 37 -1.672 3.445 1.827 326 HD1 PHE 37 1HD PHE 37 -0.001 0.446 0.439 327 HD2 PHE 37 2HD PHE 37 -3.536 2.614 0.959 328 HE1 PHE 37 1HE PHE 37 -1.201 -1.139 -1.099 329 HE2 PHE 37 2HE PHE 37 -4.746 1.057 -0.558 330 HZ PHE 37 HZ PHE 37 -3.549 -0.804 -1.569 331 H THR 38 H THR 38 0.081 5.294 0.239 332 HA THR 38 HA THR 38 0.854 6.592 2.739 333 HB THR 38 HB THR 38 1.176 7.708 -0.068 334 HG1 THR 38 1HG THR 38 2.559 5.861 1.174 335 HG21 THR 38 1HG2 THR 38 0.959 9.373 1.681 336 HG22 THR 38 2HG2 THR 38 2.636 9.330 1.105 337 HG23 THR 38 3HG2 THR 38 2.193 8.568 2.639 338 H THR 39 H THR 39 -0.645 8.005 3.556 339 HA THR 39 HA THR 39 -3.186 8.091 2.142 340 HB THR 39 HB THR 39 -3.966 9.113 4.349 341 HG1 THR 39 1HG THR 39 -2.391 8.145 6.035 342 HG21 THR 39 1HG2 THR 39 -4.497 6.815 3.741 343 HG22 THR 39 2HG2 THR 39 -4.111 6.903 5.459 344 HG23 THR 39 3HG2 THR 39 -2.923 6.276 4.317 345 H LYS 40 H LYS 40 -4.404 10.278 2.672 346 HA LYS 40 HA LYS 40 -2.922 12.309 1.409 347 HB2 LYS 40 2HB LYS 40 -5.324 12.692 3.134 348 HB3 LYS 40 1HB LYS 40 -4.830 13.761 1.826 349 HG2 LYS 40 2HG LYS 40 -5.229 11.465 0.386 350 HG3 LYS 40 1HG LYS 40 -6.248 11.165 1.756 351 HD2 LYS 40 2HD LYS 40 -7.521 13.192 1.396 352 HD3 LYS 40 1HD LYS 40 -6.394 13.618 0.089 353 HE2 LYS 40 2HE LYS 40 -7.040 11.674 -1.162 354 HE3 LYS 40 1HE LYS 40 -8.152 11.187 0.103 355 HZ1 LYS 40 1HZ LYS 40 -9.406 13.270 -0.280 356 HZ2 LYS 40 2HZ LYS 40 -9.350 12.303 -1.660 357 HZ3 LYS 40 3HZ LYS 40 -8.362 13.646 -1.546 358 H LYS 41 H LYS 41 -3.015 11.207 4.593 359 HA LYS 41 HA LYS 41 -2.159 13.568 6.015 360 HB2 LYS 41 2HB LYS 41 -1.685 10.642 6.690 361 HB3 LYS 41 1HB LYS 41 -1.559 11.992 7.782 362 HG2 LYS 41 2HG LYS 41 -3.965 12.320 7.651 363 HG3 LYS 41 1HG LYS 41 -3.989 10.957 6.512 364 HD2 LYS 41 2HD LYS 41 -3.065 9.464 8.199 365 HD3 LYS 41 1HD LYS 41 -2.970 10.793 9.347 366 HE2 LYS 41 2HE LYS 41 -5.399 10.990 9.320 367 HE3 LYS 41 1HE LYS 41 -5.498 9.672 8.151 368 HZ1 LYS 41 1HZ LYS 41 -4.481 9.491 10.934 369 HZ2 LYS 41 2HZ LYS 41 -4.461 8.213 9.846 370 HZ3 LYS 41 3HZ LYS 41 -5.922 8.866 10.375 371 H GLY 42 H GLY 42 -0.878 11.321 3.848 372 HA2 GLY 42 2HA GLY 42 1.162 11.157 2.860 373 HA3 GLY 42 1HA GLY 42 1.735 12.429 3.911 374 H ARG 43 H ARG 43 0.251 9.885 5.517 375 HA ARG 43 HA ARG 43 2.742 9.083 6.749 376 HB2 ARG 43 2HB ARG 43 -0.055 8.128 7.091 377 HB3 ARG 43 1HB ARG 43 1.288 7.623 8.118 378 HG2 ARG 43 2HG ARG 43 0.125 10.407 7.866 379 HG3 ARG 43 1HG ARG 43 -0.025 9.331 9.257 380 HD2 ARG 43 2HD ARG 43 2.547 10.516 8.200 381 HD3 ARG 43 1HD ARG 43 1.662 11.072 9.611 382 HE ARG 43 HE ARG 43 2.091 8.507 10.220 383 HH11 ARG 43 1HH1 ARG 43 4.324 10.937 8.960 384 HH12 ARG 43 2HH1 ARG 43 5.659 10.378 9.851 385 HH21 ARG 43 1HH2 ARG 43 3.959 7.744 11.458 386 HH22 ARG 43 2HH2 ARG 43 5.449 8.536 11.297 387 H LYS 44 H LYS 44 3.325 6.791 6.981 388 HA LYS 44 HA LYS 44 2.838 5.390 4.465 389 HB2 LYS 44 2HB LYS 44 5.115 5.093 6.434 390 HB3 LYS 44 1HB LYS 44 4.930 4.164 4.956 391 HG2 LYS 44 2HG LYS 44 5.282 7.154 5.113 392 HG3 LYS 44 1HG LYS 44 6.530 5.990 4.657 393 HD2 LYS 44 2HD LYS 44 5.233 5.325 2.711 394 HD3 LYS 44 1HD LYS 44 3.917 6.391 3.184 395 HE2 LYS 44 2HE LYS 44 5.225 7.399 1.426 396 HE3 LYS 44 1HE LYS 44 5.379 8.304 2.928 397 HZ1 LYS 44 1HZ LYS 44 7.358 6.335 1.957 398 HZ2 LYS 44 2HZ LYS 44 7.526 7.351 3.294 399 HZ3 LYS 44 3HZ LYS 44 7.483 7.992 1.730 400 H ILE 45 H ILE 45 1.486 3.867 4.479 401 HA ILE 45 HA ILE 45 0.952 2.360 6.941 402 HB ILE 45 HB ILE 45 -0.841 2.689 4.514 403 HG12 ILE 45 2HG1 ILE 45 -2.392 3.951 6.135 404 HG13 ILE 45 1HG1 ILE 45 -1.001 4.044 7.221 405 HG21 ILE 45 1HG2 ILE 45 -1.364 1.347 7.147 406 HG22 ILE 45 2HG2 ILE 45 -1.195 0.579 5.572 407 HG23 ILE 45 3HG2 ILE 45 -2.578 1.624 5.899 408 HD11 ILE 45 1HD1 ILE 45 -1.401 6.071 5.986 409 HD12 ILE 45 2HD1 ILE 45 -1.195 5.183 4.475 410 HD13 ILE 45 3HD1 ILE 45 0.174 5.359 5.577 411 H CYS 46 H CYS 46 1.831 0.436 6.861 412 HA CYS 46 HA CYS 46 2.684 -0.807 4.390 413 HB2 CYS 46 2HB CYS 46 2.677 -1.813 7.232 414 HB3 CYS 46 1HB CYS 46 3.561 -2.557 5.918 415 H ALA 47 H ALA 47 1.277 -2.014 3.187 416 HA ALA 47 HA ALA 47 -0.976 -3.188 4.661 417 HB1 ALA 47 1HB ALA 47 -1.008 -2.082 1.864 418 HB2 ALA 47 2HB ALA 47 -1.651 -1.275 3.296 419 HB3 ALA 47 3HB ALA 47 -2.373 -2.785 2.733 420 H ASN 48 H ASN 48 -1.713 -5.183 4.092 421 HA ASN 48 HA ASN 48 0.137 -6.933 2.846 422 HB2 ASN 48 2HB ASN 48 -1.081 -7.805 4.669 423 HB3 ASN 48 1HB ASN 48 -2.627 -7.305 4.037 424 HD21 ASN 48 1HD2 ASN 48 -0.046 -8.952 2.300 425 HD22 ASN 48 2HD2 ASN 48 -0.996 -10.383 1.987 426 HA PRO 49 HA PRO 49 -1.292 -5.947 -1.295 427 HB2 PRO 49 2HB PRO 49 0.270 -7.841 -2.501 428 HB3 PRO 49 1HB PRO 49 0.803 -6.200 -2.147 429 HG2 PRO 49 2HG PRO 49 1.312 -8.727 -0.643 430 HG3 PRO 49 1HG PRO 49 2.387 -7.343 -0.911 431 HD2 PRO 49 2HD PRO 49 1.164 -7.735 1.422 432 HD3 PRO 49 1HD PRO 49 1.413 -6.105 0.781 433 H ASN 50 H ASN 50 -1.319 -8.970 0.298 434 HA ASN 50 HA ASN 50 -2.790 -10.254 -1.755 435 HB2 ASN 50 2HB ASN 50 -2.143 -11.203 1.027 436 HB3 ASN 50 1HB ASN 50 -3.167 -12.101 -0.086 437 HD21 ASN 50 1HD2 ASN 50 0.150 -10.996 0.494 438 HD22 ASN 50 2HD2 ASN 50 0.843 -12.033 -0.666 439 H GLU 51 H GLU 51 -3.658 -7.962 0.438 440 HA GLU 51 HA GLU 51 -6.318 -8.970 0.994 441 HB2 GLU 51 2HB GLU 51 -5.239 -6.185 1.435 442 HB3 GLU 51 1HB GLU 51 -6.730 -6.837 2.084 443 HG2 GLU 51 2HG GLU 51 -5.130 -8.579 3.256 444 HG3 GLU 51 1HG GLU 51 -3.943 -7.418 2.739 445 H LYS 52 H LYS 52 -8.113 -8.506 -0.108 446 HA LYS 52 HA LYS 52 -7.861 -7.712 -2.760 447 HB2 LYS 52 2HB LYS 52 -9.655 -9.202 -1.974 448 HB3 LYS 52 1HB LYS 52 -10.397 -7.862 -1.119 449 HG2 LYS 52 2HG LYS 52 -10.804 -6.709 -3.221 450 HG3 LYS 52 1HG LYS 52 -9.991 -7.999 -4.099 451 HD2 LYS 52 2HD LYS 52 -11.703 -9.586 -3.288 452 HD3 LYS 52 1HD LYS 52 -12.526 -8.247 -2.488 453 HE2 LYS 52 2HE LYS 52 -12.867 -7.138 -4.616 454 HE3 LYS 52 1HE LYS 52 -11.963 -8.402 -5.442 455 HZ1 LYS 52 1HZ LYS 52 -14.551 -8.787 -4.018 456 HZ2 LYS 52 2HZ LYS 52 -13.644 -9.984 -4.778 457 HZ3 LYS 52 3HZ LYS 52 -14.308 -8.749 -5.694 458 H TRP 53 H TRP 53 -8.665 -5.776 0.089 459 HA TRP 53 HA TRP 53 -9.600 -3.565 -1.399 460 HB2 TRP 53 2HB TRP 53 -9.385 -2.187 0.591 461 HB3 TRP 53 1HB TRP 53 -9.998 -3.753 1.065 462 HD1 TRP 53 HD TRP 53 -8.301 -5.317 2.570 463 HE1 TRP 53 1HE TRP 53 -6.343 -4.677 4.049 464 HE3 TRP 53 3HE TRP 53 -7.430 -0.596 0.793 465 HZ2 TRP 53 2HZ TRP 53 -4.616 -2.490 4.444 466 HZ3 TRP 53 3HZ TRP 53 -5.592 0.692 1.782 467 HH2 TRP 53 HH TRP 53 -4.214 -0.236 3.576 468 H VAL 54 H VAL 54 -6.438 -4.650 -0.543 469 HA VAL 54 HA VAL 54 -5.043 -2.298 -1.329 470 HB VAL 54 HB VAL 54 -4.064 -5.150 -0.948 471 HG11 VAL 54 1HG1 VAL 54 -2.521 -2.597 -1.293 472 HG12 VAL 54 2HG1 VAL 54 -2.521 -3.965 -2.398 473 HG13 VAL 54 3HG1 VAL 54 -1.805 -4.116 -0.779 474 HG21 VAL 54 1HG2 VAL 54 -3.888 -2.735 0.833 475 HG22 VAL 54 2HG2 VAL 54 -3.197 -4.323 1.172 476 HG23 VAL 54 3HG2 VAL 54 -4.948 -4.120 1.071 477 H GLN 55 H GLN 55 -5.816 -5.367 -2.790 478 HA GLN 55 HA GLN 55 -4.413 -4.980 -5.177 479 HB2 GLN 55 2HB GLN 55 -6.797 -6.734 -4.667 480 HB3 GLN 55 1HB GLN 55 -5.705 -6.854 -6.054 481 HG2 GLN 55 2HG GLN 55 -3.827 -7.103 -4.469 482 HG3 GLN 55 1HG GLN 55 -5.003 -7.192 -3.172 483 HE21 GLN 55 1HE2 GLN 55 -3.048 -9.020 -3.937 484 HE22 GLN 55 2HE2 GLN 55 -3.800 -10.481 -4.369 485 H LYS 56 H LYS 56 -7.627 -4.066 -4.144 486 HA LYS 56 HA LYS 56 -8.640 -3.100 -6.630 487 HB2 LYS 56 2HB LYS 56 -9.967 -3.616 -4.603 488 HB3 LYS 56 1HB LYS 56 -9.246 -2.208 -3.827 489 HG2 LYS 56 2HG LYS 56 -10.115 -0.836 -5.702 490 HG3 LYS 56 1HG LYS 56 -10.980 -2.267 -6.266 491 HD2 LYS 56 2HD LYS 56 -11.257 -0.935 -3.614 492 HD3 LYS 56 1HD LYS 56 -12.413 -0.827 -4.957 493 HE2 LYS 56 2HE LYS 56 -12.784 -3.269 -4.772 494 HE3 LYS 56 1HE LYS 56 -11.661 -3.323 -3.414 495 HZ1 LYS 56 1HZ LYS 56 -14.244 -1.864 -3.488 496 HZ2 LYS 56 2HZ LYS 56 -13.161 -1.858 -2.180 497 HZ3 LYS 56 3HZ LYS 56 -13.930 -3.279 -2.657 498 H ALA 57 H ALA 57 -7.113 -1.567 -3.818 499 HA ALA 57 HA ALA 57 -7.098 1.042 -4.773 500 HB1 ALA 57 1HB ALA 57 -5.422 1.477 -3.043 501 HB2 ALA 57 2HB ALA 57 -5.196 -0.249 -2.809 502 HB3 ALA 57 3HB ALA 57 -6.755 0.494 -2.426 503 H MET 58 H MET 58 -4.583 -1.457 -5.006 504 HA MET 58 HA MET 58 -2.686 0.167 -6.081 505 HB2 MET 58 2HB MET 58 -3.000 -2.806 -6.413 506 HB3 MET 58 1HB MET 58 -1.608 -1.938 -7.046 507 HG2 MET 58 2HG MET 58 -1.217 -1.098 -4.700 508 HG3 MET 58 1HG MET 58 -2.458 -2.228 -4.173 509 HE1 MET 58 1HE MET 58 -0.726 -5.659 -5.020 510 HE2 MET 58 2HE MET 58 -1.894 -4.799 -6.037 511 HE3 MET 58 3HE MET 58 -2.151 -4.922 -4.287 512 H LYS 59 H LYS 59 -5.094 -1.708 -7.836 513 HA LYS 59 HA LYS 59 -4.172 -1.066 -10.408 514 HB2 LYS 59 2HB LYS 59 -6.985 -1.703 -9.508 515 HB3 LYS 59 1HB LYS 59 -6.442 -1.675 -11.179 516 HG2 LYS 59 2HG LYS 59 -4.891 -3.495 -10.706 517 HG3 LYS 59 1HG LYS 59 -5.431 -3.523 -9.027 518 HD2 LYS 59 2HD LYS 59 -7.717 -4.049 -9.818 519 HD3 LYS 59 1HD LYS 59 -7.102 -4.090 -11.471 520 HE2 LYS 59 2HE LYS 59 -5.570 -5.904 -10.864 521 HE3 LYS 59 1HE LYS 59 -6.177 -5.848 -9.209 522 HZ1 LYS 59 1HZ LYS 59 -8.372 -6.506 -10.053 523 HZ2 LYS 59 2HZ LYS 59 -7.188 -7.629 -10.429 524 HZ3 LYS 59 3HZ LYS 59 -7.743 -6.581 -11.625 525 H HIS 60 H HIS 60 -6.369 0.602 -8.215 526 HA HIS 60 HA HIS 60 -7.113 2.544 -10.141 527 HB2 HIS 60 2HB HIS 60 -8.656 2.050 -8.372 528 HB3 HIS 60 1HB HIS 60 -7.443 2.387 -7.147 529 HD1 HIS 60 1HD HIS 60 -9.678 4.183 -9.647 530 HD2 HIS 60 2HD HIS 60 -7.310 4.943 -6.345 531 HE1 HIS 60 1HE HIS 60 -10.114 6.557 -9.086 532 HE2 HIS 60 2HE HIS 60 -9.069 6.793 -6.842 533 H LEU 61 H LEU 61 -4.674 2.364 -7.623 534 HA LEU 61 HA LEU 61 -3.938 5.098 -7.818 535 HB2 LEU 61 2HB LEU 61 -2.533 2.757 -6.550 536 HB3 LEU 61 1HB LEU 61 -1.943 4.408 -6.453 537 HG LEU 61 HG LEU 61 -4.619 3.474 -5.391 538 HD11 LEU 61 1HD1 LEU 61 -2.044 4.050 -3.927 539 HD12 LEU 61 2HD1 LEU 61 -2.888 2.490 -4.051 540 HD13 LEU 61 3HD1 LEU 61 -3.619 3.819 -3.178 541 HD21 LEU 61 1HD2 LEU 61 -3.160 6.097 -5.090 542 HD22 LEU 61 2HD2 LEU 61 -4.655 5.656 -4.268 543 HD23 LEU 61 3HD2 LEU 61 -4.638 5.832 -6.019 544 H ASP 62 H ASP 62 -2.787 2.224 -9.498 545 HA ASP 62 HA ASP 62 -0.579 3.610 -10.682 546 HB2 ASP 62 2HB ASP 62 -1.956 1.032 -11.388 547 HB3 ASP 62 1HB ASP 62 -0.723 1.711 -12.450 548 H LYS 63 H LYS 63 -3.912 3.485 -11.334 549 HA LYS 63 HA LYS 63 -3.523 4.618 -13.970 550 HB2 LYS 63 2HB LYS 63 -6.078 3.751 -12.616 551 HB3 LYS 63 1HB LYS 63 -5.894 4.184 -14.311 552 HG2 LYS 63 2HG LYS 63 -4.424 2.269 -14.655 553 HG3 LYS 63 1HG LYS 63 -4.582 1.843 -12.951 554 HD2 LYS 63 2HD LYS 63 -7.062 1.673 -13.346 555 HD3 LYS 63 1HD LYS 63 -6.716 1.811 -15.071 556 HE2 LYS 63 2HE LYS 63 -5.705 -0.323 -13.193 557 HE3 LYS 63 1HE LYS 63 -6.920 -0.526 -14.447 558 HZ1 LYS 63 1HZ LYS 63 -4.051 0.135 -14.896 559 HZ2 LYS 63 2HZ LYS 63 -5.194 -0.064 -16.114 560 HZ3 LYS 63 3HZ LYS 63 -4.777 -1.357 -15.115 561 H LYS 64 H LYS 64 -3.202 5.899 -11.205 562 HA LYS 64 HA LYS 64 -5.091 8.099 -11.551 563 HB2 LYS 64 2HB LYS 64 -5.273 6.886 -9.387 564 HB3 LYS 64 1HB LYS 64 -3.596 7.283 -9.048 565 HG2 LYS 64 2HG LYS 64 -4.135 9.640 -9.024 566 HG3 LYS 64 1HG LYS 64 -5.813 9.285 -9.428 567 HD2 LYS 64 2HD LYS 64 -5.975 7.967 -7.327 568 HD3 LYS 64 1HD LYS 64 -4.337 8.481 -6.918 569 HE2 LYS 64 2HE LYS 64 -5.961 9.890 -5.789 570 HE3 LYS 64 1HE LYS 64 -5.084 10.830 -6.997 571 HZ1 LYS 64 1HZ LYS 64 -7.432 11.315 -7.062 572 HZ2 LYS 64 2HZ LYS 64 -7.808 9.692 -7.321 573 HZ3 LYS 64 3HZ LYS 64 -6.979 10.579 -8.497 Start of MODEL 11 1 H1 ALA 1 1HT ALA 1 15.999 -0.050 13.098 2 H2 ALA 1 2HT ALA 1 16.953 1.026 12.201 3 H3 ALA 1 3HT ALA 1 15.929 -0.011 11.410 4 HA ALA 1 HA ALA 1 14.014 1.098 12.298 5 HB1 ALA 1 1HB ALA 1 16.059 2.933 13.550 6 HB2 ALA 1 2HB ALA 1 15.017 1.808 14.424 7 HB3 ALA 1 3HB ALA 1 14.313 3.180 13.562 8 H ARG 2 H ARG 2 13.176 2.977 11.208 9 HA ARG 2 HA ARG 2 12.873 4.232 9.414 10 HB2 ARG 2 2HB ARG 2 15.803 4.937 9.713 11 HB3 ARG 2 1HB ARG 2 14.650 5.806 8.711 12 HG2 ARG 2 2HG ARG 2 13.348 6.363 10.717 13 HG3 ARG 2 1HG ARG 2 14.544 5.523 11.705 14 HD2 ARG 2 2HD ARG 2 16.268 7.087 10.891 15 HD3 ARG 2 1HD ARG 2 15.037 7.934 9.962 16 HE ARG 2 HE ARG 2 14.541 7.663 12.793 17 HH11 ARG 2 1HH1 ARG 2 15.738 9.747 10.181 18 HH12 ARG 2 2HH1 ARG 2 15.631 11.172 11.090 19 HH21 ARG 2 1HH2 ARG 2 14.424 9.698 14.045 20 HH22 ARG 2 2HH2 ARG 2 14.886 11.157 13.282 21 H LYS 3 H LYS 3 12.341 2.571 8.136 22 HA LYS 3 HA LYS 3 14.258 1.939 6.004 23 HB2 LYS 3 2HB LYS 3 12.560 -0.059 7.508 24 HB3 LYS 3 1HB LYS 3 13.410 -0.413 6.019 25 HG2 LYS 3 2HG LYS 3 14.708 0.418 8.614 26 HG3 LYS 3 1HG LYS 3 14.562 -1.242 8.041 27 HD2 LYS 3 2HD LYS 3 16.029 0.975 6.599 28 HD3 LYS 3 1HD LYS 3 16.787 -0.251 7.608 29 HE2 LYS 3 2HE LYS 3 15.944 -1.995 6.121 30 HE3 LYS 3 1HE LYS 3 15.179 -0.782 5.102 31 HZ1 LYS 3 1HZ LYS 3 18.099 -1.083 5.575 32 HZ2 LYS 3 2HZ LYS 3 17.395 0.136 4.646 33 HZ3 LYS 3 3HZ LYS 3 17.280 -1.470 4.171 34 H SER 4 H SER 4 13.277 1.485 4.028 35 HA SER 4 HA SER 4 10.546 2.442 3.759 36 HB2 SER 4 2HB SER 4 12.618 1.675 1.681 37 HB3 SER 4 1HB SER 4 11.082 2.485 1.364 38 HG SER 4 HG SER 4 12.590 3.726 3.281 39 H CYS 5 H CYS 5 11.604 -0.212 4.822 40 HA CYS 5 HA CYS 5 9.917 -1.967 3.209 41 HB2 CYS 5 2HB CYS 5 12.271 -2.705 4.965 42 HB3 CYS 5 1HB CYS 5 11.257 -3.840 4.093 43 H CYS 6 H CYS 6 8.515 -3.247 4.367 44 HA CYS 6 HA CYS 6 8.064 -2.484 7.138 45 HB2 CYS 6 2HB CYS 6 6.294 -3.434 4.945 46 HB3 CYS 6 1HB CYS 6 5.742 -3.178 6.603 47 H LEU 7 H LEU 7 7.623 -4.132 8.550 48 HA LEU 7 HA LEU 7 8.013 -6.898 7.598 49 HB2 LEU 7 2HB LEU 7 8.596 -5.729 10.326 50 HB3 LEU 7 1HB LEU 7 8.843 -7.394 9.857 51 HG LEU 7 HG LEU 7 10.352 -5.015 8.775 52 HD11 LEU 7 1HD1 LEU 7 11.215 -7.224 10.635 53 HD12 LEU 7 2HD1 LEU 7 10.937 -5.540 11.074 54 HD13 LEU 7 3HD1 LEU 7 12.252 -5.955 9.978 55 HD21 LEU 7 1HD2 LEU 7 10.118 -6.766 7.091 56 HD22 LEU 7 2HD2 LEU 7 10.705 -7.965 8.238 57 HD23 LEU 7 3HD2 LEU 7 11.778 -6.682 7.677 58 H LYS 8 H LYS 8 5.726 -4.817 8.281 59 HA LYS 8 HA LYS 8 4.000 -6.666 9.708 60 HB2 LYS 8 2HB LYS 8 4.869 -5.036 11.289 61 HB3 LYS 8 1HB LYS 8 4.489 -3.733 10.186 62 HG2 LYS 8 2HG LYS 8 2.887 -3.733 11.931 63 HG3 LYS 8 1HG LYS 8 2.127 -4.259 10.425 64 HD2 LYS 8 2HD LYS 8 1.326 -5.637 12.270 65 HD3 LYS 8 1HD LYS 8 2.312 -6.603 11.176 66 HE2 LYS 8 2HE LYS 8 2.809 -7.097 13.518 67 HE3 LYS 8 1HE LYS 8 4.209 -6.414 12.698 68 HZ1 LYS 8 1HZ LYS 8 2.344 -4.890 14.431 69 HZ2 LYS 8 2HZ LYS 8 3.756 -4.287 13.741 70 HZ3 LYS 8 3HZ LYS 8 3.832 -5.478 14.927 71 H TYR 9 H TYR 9 1.830 -6.412 9.017 72 HA TYR 9 HA TYR 9 1.346 -4.518 6.842 73 HB2 TYR 9 2HB TYR 9 -0.346 -7.027 7.319 74 HB3 TYR 9 1HB TYR 9 -0.285 -5.957 5.986 75 HD1 TYR 9 1HD TYR 9 1.202 -6.157 4.233 76 HD2 TYR 9 2HD TYR 9 1.599 -8.706 7.589 77 HE1 TYR 9 1HE TYR 9 2.679 -7.617 2.935 78 HE2 TYR 9 2HE TYR 9 3.108 -10.176 6.296 79 HH TYR 9 HH TYR 9 4.367 -9.178 3.258 80 H THR 10 H THR 10 -0.669 -3.429 7.003 81 HA THR 10 HA THR 10 -1.365 -2.736 9.616 82 HB THR 10 HB THR 10 -1.440 -1.057 7.895 83 HG1 THR 10 1HG THR 10 -4.022 -0.751 8.134 84 HG21 THR 10 1HG2 THR 10 -3.147 -1.059 6.125 85 HG22 THR 10 2HG2 THR 10 -3.664 -2.674 6.630 86 HG23 THR 10 3HG2 THR 10 -2.034 -2.412 5.993 87 H LYS 11 H LYS 11 -3.127 -3.120 10.814 88 HA LYS 11 HA LYS 11 -4.762 -5.431 10.162 89 HB2 LYS 11 2HB LYS 11 -5.561 -5.191 12.487 90 HB3 LYS 11 1HB LYS 11 -3.808 -5.268 12.402 91 HG2 LYS 11 2HG LYS 11 -3.698 -2.825 12.614 92 HG3 LYS 11 1HG LYS 11 -5.453 -2.762 12.723 93 HD2 LYS 11 2HD LYS 11 -5.345 -4.120 14.769 94 HD3 LYS 11 1HD LYS 11 -3.583 -4.137 14.642 95 HE2 LYS 11 2HE LYS 11 -3.538 -1.702 14.813 96 HE3 LYS 11 1HE LYS 11 -5.296 -1.672 14.913 97 HZ1 LYS 11 1HZ LYS 11 -3.441 -2.869 16.903 98 HZ2 LYS 11 2HZ LYS 11 -5.129 -2.959 16.966 99 HZ3 LYS 11 3HZ LYS 11 -4.386 -1.474 17.075 100 H ARG 12 H ARG 12 -4.883 -2.124 9.758 101 HA ARG 12 HA ARG 12 -7.821 -2.059 9.745 102 HB2 ARG 12 2HB ARG 12 -6.842 -0.546 11.405 103 HB3 ARG 12 1HB ARG 12 -5.857 0.200 10.159 104 HG2 ARG 12 2HG ARG 12 -7.895 0.981 9.030 105 HG3 ARG 12 1HG ARG 12 -8.866 0.269 10.317 106 HD2 ARG 12 2HD ARG 12 -7.757 1.741 11.947 107 HD3 ARG 12 1HD ARG 12 -6.815 2.462 10.643 108 HE ARG 12 HE ARG 12 -9.586 2.573 10.106 109 HH11 ARG 12 1HH1 ARG 12 -7.031 4.221 11.890 110 HH12 ARG 12 2HH1 ARG 12 -7.858 5.698 12.018 111 HH21 ARG 12 1HH2 ARG 12 -10.742 4.632 10.253 112 HH22 ARG 12 2HH2 ARG 12 -10.027 5.937 11.053 113 HA PRO 13 HA PRO 13 -7.191 -1.470 5.281 114 HB2 PRO 13 2HB PRO 13 -10.111 -1.081 5.369 115 HB3 PRO 13 1HB PRO 13 -9.170 -2.239 4.426 116 HG2 PRO 13 2HG PRO 13 -10.671 -3.003 6.514 117 HG3 PRO 13 1HG PRO 13 -9.137 -3.794 6.116 118 HD2 PRO 13 2HD PRO 13 -9.745 -1.814 8.271 119 HD3 PRO 13 1HD PRO 13 -8.663 -3.236 8.264 120 H LEU 14 H LEU 14 -7.457 0.379 3.943 121 HA LEU 14 HA LEU 14 -8.207 2.867 5.329 122 HB2 LEU 14 2HB LEU 14 -6.414 2.408 2.954 123 HB3 LEU 14 1HB LEU 14 -6.813 3.963 3.630 124 HG LEU 14 HG LEU 14 -5.222 1.819 5.036 125 HD11 LEU 14 1HD1 LEU 14 -4.119 2.726 3.064 126 HD12 LEU 14 2HD1 LEU 14 -3.313 3.278 4.530 127 HD13 LEU 14 3HD1 LEU 14 -4.392 4.362 3.647 128 HD21 LEU 14 1HD2 LEU 14 -6.408 3.331 6.575 129 HD22 LEU 14 2HD2 LEU 14 -5.741 4.718 5.708 130 HD23 LEU 14 3HD2 LEU 14 -4.667 3.638 6.591 131 HA PRO 15 HA PRO 15 -11.140 3.260 1.909 132 HB2 PRO 15 2HB PRO 15 -11.041 6.147 2.068 133 HB3 PRO 15 1HB PRO 15 -12.336 5.077 2.577 134 HG2 PRO 15 2HG PRO 15 -10.777 6.542 4.319 135 HG3 PRO 15 1HG PRO 15 -11.688 5.089 4.754 136 HD2 PRO 15 2HD PRO 15 -8.782 5.417 4.223 137 HD3 PRO 15 1HD PRO 15 -9.628 4.311 5.326 138 H LEU 16 H LEU 16 -10.732 3.502 -0.255 139 HA LEU 16 HA LEU 16 -8.102 3.815 -1.100 140 HB2 LEU 16 2HB LEU 16 -9.417 2.512 -2.417 141 HB3 LEU 16 1HB LEU 16 -10.682 3.771 -2.577 142 HG LEU 16 HG LEU 16 -8.964 4.996 -3.922 143 HD11 LEU 16 1HD1 LEU 16 -7.151 3.608 -4.910 144 HD12 LEU 16 2HD1 LEU 16 -7.555 2.361 -3.727 145 HD13 LEU 16 3HD1 LEU 16 -6.966 3.920 -3.181 146 HD21 LEU 16 1HD2 LEU 16 -9.908 2.333 -4.878 147 HD22 LEU 16 2HD2 LEU 16 -9.401 3.704 -5.898 148 HD23 LEU 16 3HD2 LEU 16 -10.797 3.875 -4.831 149 H LYS 17 H LYS 17 -10.749 6.106 -1.108 150 HA LYS 17 HA LYS 17 -9.506 8.049 -2.691 151 HB2 LYS 17 2HB LYS 17 -11.624 8.338 -0.580 152 HB3 LYS 17 1HB LYS 17 -11.056 9.670 -1.556 153 HG2 LYS 17 2HG LYS 17 -13.116 8.889 -2.429 154 HG3 LYS 17 1HG LYS 17 -11.833 8.467 -3.568 155 HD2 LYS 17 2HD LYS 17 -11.896 6.169 -2.750 156 HD3 LYS 17 1HD LYS 17 -13.140 6.607 -1.580 157 HE2 LYS 17 2HE LYS 17 -13.387 6.734 -4.591 158 HE3 LYS 17 1HE LYS 17 -14.147 5.558 -3.529 159 HZ1 LYS 17 1HZ LYS 17 -15.689 7.301 -4.172 160 HZ2 LYS 17 2HZ LYS 17 -14.702 8.480 -3.500 161 HZ3 LYS 17 3HZ LYS 17 -15.431 7.325 -2.513 162 H ARG 18 H ARG 18 -8.854 7.029 0.429 163 HA ARG 18 HA ARG 18 -7.888 9.682 1.347 164 HB2 ARG 18 2HB ARG 18 -9.195 8.121 2.894 165 HB3 ARG 18 1HB ARG 18 -7.783 7.068 2.839 166 HG2 ARG 18 2HG ARG 18 -6.422 8.883 3.786 167 HG3 ARG 18 1HG ARG 18 -7.882 9.861 3.918 168 HD2 ARG 18 2HD ARG 18 -8.857 8.152 5.402 169 HD3 ARG 18 1HD ARG 18 -7.349 7.236 5.306 170 HE ARG 18 HE ARG 18 -7.111 9.986 6.113 171 HH11 ARG 18 1HH1 ARG 18 -7.389 6.624 7.322 172 HH12 ARG 18 2HH1 ARG 18 -6.706 6.998 8.826 173 HH21 ARG 18 1HH2 ARG 18 -6.248 10.439 8.208 174 HH22 ARG 18 2HH2 ARG 18 -6.064 9.209 9.370 175 H ILE 19 H ILE 19 -6.716 7.489 -0.562 176 HA ILE 19 HA ILE 19 -4.030 7.351 0.600 177 HB ILE 19 HB ILE 19 -5.234 5.613 -1.568 178 HG12 ILE 19 2HG1 ILE 19 -4.759 4.878 1.321 179 HG13 ILE 19 1HG1 ILE 19 -6.329 5.415 0.717 180 HG21 ILE 19 1HG2 ILE 19 -2.717 5.351 0.107 181 HG22 ILE 19 2HG2 ILE 19 -2.775 5.761 -1.607 182 HG23 ILE 19 3HG2 ILE 19 -3.286 4.167 -1.062 183 HD11 ILE 19 1HD1 ILE 19 -6.296 3.529 -0.871 184 HD12 ILE 19 2HD1 ILE 19 -6.243 2.993 0.820 185 HD13 ILE 19 3HD1 ILE 19 -4.795 2.999 -0.189 186 H LYS 20 H LYS 20 -2.649 8.613 -0.341 187 HA LYS 20 HA LYS 20 -3.244 10.001 -2.745 188 HB2 LYS 20 2HB LYS 20 -0.645 9.912 -1.182 189 HB3 LYS 20 1HB LYS 20 -1.011 11.047 -2.458 190 HG2 LYS 20 2HG LYS 20 -2.355 10.829 0.176 191 HG3 LYS 20 1HG LYS 20 -1.250 12.098 -0.357 192 HD2 LYS 20 2HD LYS 20 -4.024 11.496 -1.362 193 HD3 LYS 20 1HD LYS 20 -3.517 12.892 -0.460 194 HE2 LYS 20 2HE LYS 20 -2.511 12.270 -3.247 195 HE3 LYS 20 1HE LYS 20 -3.744 13.473 -2.866 196 HZ1 LYS 20 1HZ LYS 20 -2.060 14.712 -1.612 197 HZ2 LYS 20 2HZ LYS 20 -1.510 14.402 -3.185 198 HZ3 LYS 20 3HZ LYS 20 -0.946 13.492 -1.906 199 H SER 21 H SER 21 -0.945 7.378 -1.801 200 HA SER 21 HA SER 21 -0.786 6.274 -4.376 201 HB2 SER 21 2HB SER 21 0.506 8.373 -4.829 202 HB3 SER 21 1HB SER 21 1.593 7.972 -3.509 203 HG SER 21 HG SER 21 1.383 6.932 -6.062 204 H TYR 22 H TYR 22 1.162 4.625 -4.352 205 HA TYR 22 HA TYR 22 1.852 3.825 -1.605 206 HB2 TYR 22 2HB TYR 22 1.423 1.504 -2.085 207 HB3 TYR 22 1HB TYR 22 -0.047 2.419 -2.342 208 HD1 TYR 22 1HD TYR 22 -1.185 2.187 -4.335 209 HD2 TYR 22 2HD TYR 22 2.819 0.844 -4.170 210 HE1 TYR 22 1HE TYR 22 -1.435 1.126 -6.539 211 HE2 TYR 22 2HE TYR 22 2.573 -0.197 -6.385 212 HH TYR 22 HH TYR 22 0.027 0.502 -8.399 213 H THR 23 H THR 23 3.546 2.264 -1.541 214 HA THR 23 HA THR 23 5.487 2.560 -3.730 215 HB THR 23 HB THR 23 5.996 2.090 -0.784 216 HG1 THR 23 1HG THR 23 6.357 4.445 -2.366 217 HG21 THR 23 1HG2 THR 23 7.673 1.121 -2.244 218 HG22 THR 23 2HG2 THR 23 8.354 2.496 -1.359 219 HG23 THR 23 3HG2 THR 23 7.900 2.667 -3.063 220 H ILE 24 H ILE 24 6.259 0.628 -4.554 221 HA ILE 24 HA ILE 24 5.033 -1.797 -3.575 222 HB ILE 24 HB ILE 24 6.852 -1.355 -5.962 223 HG12 ILE 24 2HG1 ILE 24 3.865 -1.762 -5.790 224 HG13 ILE 24 1HG1 ILE 24 4.673 -0.235 -6.143 225 HG21 ILE 24 1HG2 ILE 24 5.243 -3.793 -5.165 226 HG22 ILE 24 2HG2 ILE 24 7.003 -3.655 -5.134 227 HG23 ILE 24 3HG2 ILE 24 6.141 -3.602 -6.673 228 HD11 ILE 24 1HD1 ILE 24 4.747 -2.719 -7.843 229 HD12 ILE 24 2HD1 ILE 24 5.557 -1.192 -8.202 230 HD13 ILE 24 3HD1 ILE 24 3.797 -1.269 -8.161 231 H GLN 25 H GLN 25 5.978 -2.694 -1.881 232 HA GLN 25 HA GLN 25 8.859 -2.722 -1.681 233 HB2 GLN 25 2HB GLN 25 7.826 -2.335 0.384 234 HB3 GLN 25 1HB GLN 25 6.642 -3.600 0.203 235 HG2 GLN 25 2HG GLN 25 8.399 -5.260 0.422 236 HG3 GLN 25 1HG GLN 25 9.581 -3.963 0.608 237 HE21 GLN 25 1HE2 GLN 25 8.683 -6.112 2.422 238 HE22 GLN 25 2HE2 GLN 25 8.278 -5.320 3.890 239 H SER 26 H SER 26 9.953 -4.196 -2.604 240 HA SER 26 HA SER 26 8.665 -6.649 -3.453 241 HB2 SER 26 2HB SER 26 9.904 -5.396 -5.133 242 HB3 SER 26 1HB SER 26 11.356 -5.456 -4.135 243 HG SER 26 HG SER 26 10.953 -7.067 -5.923 244 H ASN 27 H ASN 27 9.250 -8.659 -2.694 245 HA ASN 27 HA ASN 27 10.516 -8.890 -0.203 246 HB2 ASN 27 2HB ASN 27 8.587 -10.189 -1.254 247 HB3 ASN 27 1HB ASN 27 9.786 -10.995 -2.239 248 HD21 ASN 27 1HD2 ASN 27 7.850 -11.906 -0.279 249 HD22 ASN 27 2HD2 ASN 27 8.762 -12.803 0.869 250 H GLU 28 H GLU 28 11.670 -8.588 -3.348 251 HA GLU 28 HA GLU 28 13.997 -10.222 -3.233 252 HB2 GLU 28 2HB GLU 28 13.431 -7.752 -4.865 253 HB3 GLU 28 1HB GLU 28 14.733 -8.897 -5.151 254 HG2 GLU 28 2HG GLU 28 13.114 -10.641 -5.637 255 HG3 GLU 28 1HG GLU 28 11.801 -9.520 -5.288 256 H ALA 29 H ALA 29 13.248 -6.892 -2.391 257 HA ALA 29 HA ALA 29 16.029 -6.475 -1.526 258 HB1 ALA 29 1HB ALA 29 15.575 -4.085 -1.636 259 HB2 ALA 29 2HB ALA 29 13.894 -4.412 -2.064 260 HB3 ALA 29 3HB ALA 29 15.190 -4.865 -3.170 261 H CYS 30 H CYS 30 12.755 -6.608 -0.395 262 HA CYS 30 HA CYS 30 13.633 -5.874 2.327 263 HB2 CYS 30 2HB CYS 30 10.878 -5.895 1.110 264 HB3 CYS 30 1HB CYS 30 11.289 -5.391 2.743 265 H ASN 31 H ASN 31 12.694 -7.157 4.029 266 HA ASN 31 HA ASN 31 13.133 -9.878 3.635 267 HB2 ASN 31 2HB ASN 31 11.590 -8.568 5.884 268 HB3 ASN 31 1HB ASN 31 12.136 -10.232 5.885 269 HD21 ASN 31 1HD2 ASN 31 13.422 -9.963 7.677 270 HD22 ASN 31 2HD2 ASN 31 14.866 -9.021 7.672 271 H ILE 32 H ILE 32 10.136 -8.097 3.492 272 HA ILE 32 HA ILE 32 8.795 -10.506 2.460 273 HB ILE 32 HB ILE 32 6.729 -9.989 3.683 274 HG12 ILE 32 2HG1 ILE 32 8.271 -7.742 4.995 275 HG13 ILE 32 1HG1 ILE 32 7.019 -7.531 3.779 276 HG21 ILE 32 1HG2 ILE 32 9.063 -9.989 5.525 277 HG22 ILE 32 2HG2 ILE 32 8.351 -11.438 4.801 278 HG23 ILE 32 3HG2 ILE 32 7.419 -10.469 5.968 279 HD11 ILE 32 1HD1 ILE 32 6.642 -8.714 6.523 280 HD12 ILE 32 2HD1 ILE 32 5.379 -8.508 5.307 281 HD13 ILE 32 3HD1 ILE 32 6.164 -7.095 6.010 282 H LYS 33 H LYS 33 6.562 -9.701 1.489 283 HA LYS 33 HA LYS 33 7.097 -7.204 0.049 284 HB2 LYS 33 2HB LYS 33 6.691 -9.167 -1.398 285 HB3 LYS 33 1HB LYS 33 5.154 -9.444 -0.589 286 HG2 LYS 33 2HG LYS 33 4.401 -7.201 -1.395 287 HG3 LYS 33 1HG LYS 33 5.899 -7.083 -2.298 288 HD2 LYS 33 2HD LYS 33 5.313 -9.031 -3.615 289 HD3 LYS 33 1HD LYS 33 3.837 -9.252 -2.663 290 HE2 LYS 33 2HE LYS 33 3.062 -7.027 -3.420 291 HE3 LYS 33 1HE LYS 33 4.507 -6.891 -4.417 292 HZ1 LYS 33 1HZ LYS 33 2.364 -8.933 -4.721 293 HZ2 LYS 33 2HZ LYS 33 3.740 -8.840 -5.682 294 HZ3 LYS 33 3HZ LYS 33 2.599 -7.603 -5.707 295 H ALA 34 H ALA 34 6.045 -5.477 0.857 296 HA ALA 34 HA ALA 34 3.281 -5.758 1.723 297 HB1 ALA 34 1HB ALA 34 4.595 -5.940 3.812 298 HB2 ALA 34 2HB ALA 34 3.696 -4.425 3.763 299 HB3 ALA 34 3HB ALA 34 5.419 -4.435 3.405 300 H ILE 35 H ILE 35 2.271 -4.336 0.401 301 HA ILE 35 HA ILE 35 3.674 -2.215 -0.876 302 HB ILE 35 HB ILE 35 0.684 -2.654 -0.609 303 HG12 ILE 35 2HG1 ILE 35 1.849 -4.536 -1.621 304 HG13 ILE 35 1HG1 ILE 35 0.824 -3.722 -2.803 305 HG21 ILE 35 1HG2 ILE 35 0.498 -1.214 -2.637 306 HG22 ILE 35 2HG2 ILE 35 2.223 -0.912 -2.550 307 HG23 ILE 35 3HG2 ILE 35 1.172 -0.357 -1.259 308 HD11 ILE 35 1HD1 ILE 35 2.877 -4.371 -3.802 309 HD12 ILE 35 2HD1 ILE 35 3.830 -3.557 -2.548 310 HD13 ILE 35 3HD1 ILE 35 2.858 -2.614 -3.690 311 H ILE 36 H ILE 36 3.939 -0.100 -0.249 312 HA ILE 36 HA ILE 36 2.884 0.491 2.402 313 HB ILE 36 HB ILE 36 5.049 2.012 0.904 314 HG12 ILE 36 2HG1 ILE 36 6.561 1.052 2.793 315 HG13 ILE 36 1HG1 ILE 36 5.293 -0.149 2.990 316 HG21 ILE 36 1HG2 ILE 36 3.916 3.429 2.446 317 HG22 ILE 36 2HG2 ILE 36 5.545 3.032 3.027 318 HG23 ILE 36 3HG2 ILE 36 4.144 2.236 3.741 319 HD11 ILE 36 1HD1 ILE 36 5.612 -0.830 0.699 320 HD12 ILE 36 2HD1 ILE 36 7.105 -0.927 1.654 321 HD13 ILE 36 3HD1 ILE 36 6.851 0.419 0.526 322 H PHE 37 H PHE 37 1.117 1.490 2.377 323 HA PHE 37 HA PHE 37 0.211 3.192 0.210 324 HB2 PHE 37 2HB PHE 37 -0.936 2.017 2.699 325 HB3 PHE 37 1HB PHE 37 -1.761 3.363 1.909 326 HD1 PHE 37 1HD PHE 37 -0.005 0.484 0.394 327 HD2 PHE 37 2HD PHE 37 -3.654 2.390 1.167 328 HE1 PHE 37 1HE PHE 37 -1.215 -1.140 -1.151 329 HE2 PHE 37 2HE PHE 37 -4.835 0.816 -0.323 330 HZ PHE 37 HZ PHE 37 -3.590 -0.932 -1.466 331 H THR 38 H THR 38 0.008 5.297 0.331 332 HA THR 38 HA THR 38 0.758 6.548 2.866 333 HB THR 38 HB THR 38 1.193 7.641 0.069 334 HG1 THR 38 1HG THR 38 2.482 5.795 1.111 335 HG21 THR 38 1HG2 THR 38 0.834 9.351 1.736 336 HG22 THR 38 2HG2 THR 38 2.535 9.345 1.264 337 HG23 THR 38 3HG2 THR 38 2.012 8.615 2.805 338 H THR 39 H THR 39 -0.769 7.878 3.712 339 HA THR 39 HA THR 39 -3.234 8.128 2.221 340 HB THR 39 HB THR 39 -4.029 9.222 4.371 341 HG1 THR 39 1HG THR 39 -2.619 8.480 6.187 342 HG21 THR 39 1HG2 THR 39 -4.578 6.909 3.851 343 HG22 THR 39 2HG2 THR 39 -4.240 7.066 5.572 344 HG23 THR 39 3HG2 THR 39 -3.028 6.370 4.497 345 H LYS 40 H LYS 40 -4.345 10.394 2.620 346 HA LYS 40 HA LYS 40 -2.686 12.333 1.391 347 HB2 LYS 40 2HB LYS 40 -5.096 12.969 3.021 348 HB3 LYS 40 1HB LYS 40 -4.496 13.866 1.640 349 HG2 LYS 40 2HG LYS 40 -5.132 11.575 0.323 350 HG3 LYS 40 1HG LYS 40 -6.075 11.361 1.756 351 HD2 LYS 40 2HD LYS 40 -7.254 13.450 1.455 352 HD3 LYS 40 1HD LYS 40 -6.221 13.779 0.045 353 HE2 LYS 40 2HE LYS 40 -7.055 11.843 -1.074 354 HE3 LYS 40 1HE LYS 40 -8.055 11.435 0.298 355 HZ1 LYS 40 1HZ LYS 40 -9.300 13.489 -0.017 356 HZ2 LYS 40 2HZ LYS 40 -9.384 12.534 -1.387 357 HZ3 LYS 40 3HZ LYS 40 -8.383 13.892 -1.358 358 H LYS 41 H LYS 41 -3.085 11.364 4.624 359 HA LYS 41 HA LYS 41 -2.020 13.728 5.878 360 HB2 LYS 41 2HB LYS 41 -2.163 10.858 6.900 361 HB3 LYS 41 1HB LYS 41 -1.751 12.261 7.851 362 HG2 LYS 41 2HG LYS 41 -4.282 11.844 6.477 363 HG3 LYS 41 1HG LYS 41 -4.043 11.473 8.189 364 HD2 LYS 41 2HD LYS 41 -3.452 13.870 8.548 365 HD3 LYS 41 1HD LYS 41 -3.818 14.184 6.849 366 HE2 LYS 41 2HE LYS 41 -6.120 13.477 7.212 367 HE3 LYS 41 1HE LYS 41 -5.761 13.139 8.904 368 HZ1 LYS 41 1HZ LYS 41 -5.584 15.800 7.604 369 HZ2 LYS 41 2HZ LYS 41 -5.295 15.487 9.230 370 HZ3 LYS 41 3HZ LYS 41 -6.835 15.291 8.594 371 H GLY 42 H GLY 42 -0.861 11.234 3.998 372 HA2 GLY 42 2HA GLY 42 1.205 10.883 3.165 373 HA3 GLY 42 1HA GLY 42 1.821 12.129 4.217 374 H ARG 43 H ARG 43 0.014 9.739 5.825 375 HA ARG 43 HA ARG 43 2.189 8.764 7.297 376 HB2 ARG 43 2HB ARG 43 -0.084 8.936 8.171 377 HB3 ARG 43 1HB ARG 43 -0.625 7.829 6.909 378 HG2 ARG 43 2HG ARG 43 0.695 6.075 7.818 379 HG3 ARG 43 1HG ARG 43 1.321 7.159 9.071 380 HD2 ARG 43 2HD ARG 43 -0.893 7.348 10.051 381 HD3 ARG 43 1HD ARG 43 -1.587 6.389 8.739 382 HE ARG 43 HE ARG 43 0.267 4.744 9.733 383 HH11 ARG 43 1HH1 ARG 43 -2.278 6.568 11.374 384 HH12 ARG 43 2HH1 ARG 43 -2.533 5.380 12.567 385 HH21 ARG 43 1HH2 ARG 43 -0.098 3.124 11.398 386 HH22 ARG 43 2HH2 ARG 43 -1.292 3.409 12.582 387 H LYS 44 H LYS 44 3.064 6.621 7.207 388 HA LYS 44 HA LYS 44 2.769 5.359 4.592 389 HB2 LYS 44 2HB LYS 44 4.967 5.086 6.661 390 HB3 LYS 44 1HB LYS 44 4.931 4.261 5.110 391 HG2 LYS 44 2HG LYS 44 5.062 7.250 5.508 392 HG3 LYS 44 1HG LYS 44 6.413 6.208 5.061 393 HD2 LYS 44 2HD LYS 44 5.277 5.603 2.984 394 HD3 LYS 44 1HD LYS 44 3.886 6.575 3.441 395 HE2 LYS 44 2HE LYS 44 5.262 8.588 3.401 396 HE3 LYS 44 1HE LYS 44 6.671 7.623 2.966 397 HZ1 LYS 44 1HZ LYS 44 4.211 7.734 1.290 398 HZ2 LYS 44 2HZ LYS 44 5.673 7.068 0.889 399 HZ3 LYS 44 3HZ LYS 44 5.568 8.731 1.036 400 H ILE 45 H ILE 45 1.351 3.821 4.573 401 HA ILE 45 HA ILE 45 0.880 2.225 6.991 402 HB ILE 45 HB ILE 45 -0.907 2.541 4.555 403 HG12 ILE 45 2HG1 ILE 45 -2.504 3.729 6.207 404 HG13 ILE 45 1HG1 ILE 45 -1.093 3.889 7.259 405 HG21 ILE 45 1HG2 ILE 45 -1.444 1.183 7.178 406 HG22 ILE 45 2HG2 ILE 45 -1.213 0.414 5.608 407 HG23 ILE 45 3HG2 ILE 45 -2.628 1.424 5.895 408 HD11 ILE 45 1HD1 ILE 45 -1.582 5.884 6.033 409 HD12 ILE 45 2HD1 ILE 45 -1.419 5.007 4.510 410 HD13 ILE 45 3HD1 ILE 45 -0.012 5.224 5.556 411 H CYS 46 H CYS 46 1.732 0.279 6.899 412 HA CYS 46 HA CYS 46 2.637 -0.883 4.386 413 HB2 CYS 46 2HB CYS 46 2.704 -1.939 7.208 414 HB3 CYS 46 1HB CYS 46 3.616 -2.608 5.872 415 H ALA 47 H ALA 47 1.149 -1.957 3.168 416 HA ALA 47 HA ALA 47 -0.977 -3.320 4.673 417 HB1 ALA 47 1HB ALA 47 -1.197 -2.055 1.951 418 HB2 ALA 47 2HB ALA 47 -1.781 -1.345 3.456 419 HB3 ALA 47 3HB ALA 47 -2.490 -2.840 2.854 420 H ASN 48 H ASN 48 -1.586 -5.350 4.141 421 HA ASN 48 HA ASN 48 0.224 -6.866 2.703 422 HB2 ASN 48 2HB ASN 48 -0.777 -7.997 4.454 423 HB3 ASN 48 1HB ASN 48 -2.388 -7.467 4.031 424 HD21 ASN 48 1HD2 ASN 48 0.234 -9.559 2.888 425 HD22 ASN 48 2HD2 ASN 48 -0.921 -10.601 2.082 426 HA PRO 49 HA PRO 49 -1.198 -5.997 -1.371 427 HB2 PRO 49 2HB PRO 49 0.447 -7.839 -2.561 428 HB3 PRO 49 1HB PRO 49 0.929 -6.196 -2.164 429 HG2 PRO 49 2HG PRO 49 1.466 -8.737 -0.708 430 HG3 PRO 49 1HG PRO 49 2.497 -7.311 -0.912 431 HD2 PRO 49 2HD PRO 49 1.186 -7.838 1.365 432 HD3 PRO 49 1HD PRO 49 1.489 -6.181 0.819 433 H ASN 50 H ASN 50 -1.209 -9.009 0.270 434 HA ASN 50 HA ASN 50 -2.613 -10.275 -1.799 435 HB2 ASN 50 2HB ASN 50 -2.019 -11.279 0.963 436 HB3 ASN 50 1HB ASN 50 -2.988 -12.181 -0.195 437 HD21 ASN 50 1HD2 ASN 50 0.282 -11.122 0.613 438 HD22 ASN 50 2HD2 ASN 50 1.040 -12.055 -0.588 439 H GLU 51 H GLU 51 -3.569 -8.048 0.473 440 HA GLU 51 HA GLU 51 -6.192 -9.133 0.952 441 HB2 GLU 51 2HB GLU 51 -5.246 -6.309 1.470 442 HB3 GLU 51 1HB GLU 51 -6.739 -7.022 2.045 443 HG2 GLU 51 2HG GLU 51 -5.105 -8.730 3.249 444 HG3 GLU 51 1HG GLU 51 -3.962 -7.514 2.825 445 H LYS 52 H LYS 52 -7.960 -8.758 -0.095 446 HA LYS 52 HA LYS 52 -7.931 -8.013 -2.753 447 HB2 LYS 52 2HB LYS 52 -9.613 -9.464 -1.725 448 HB3 LYS 52 1HB LYS 52 -10.268 -8.096 -0.849 449 HG2 LYS 52 2HG LYS 52 -10.922 -7.054 -2.951 450 HG3 LYS 52 1HG LYS 52 -10.244 -8.422 -3.840 451 HD2 LYS 52 2HD LYS 52 -11.798 -9.924 -2.657 452 HD3 LYS 52 1HD LYS 52 -12.500 -8.521 -1.849 453 HE2 LYS 52 2HE LYS 52 -13.157 -7.600 -3.986 454 HE3 LYS 52 1HE LYS 52 -12.417 -8.966 -4.821 455 HZ1 LYS 52 1HZ LYS 52 -14.717 -9.087 -2.955 456 HZ2 LYS 52 2HZ LYS 52 -13.992 -10.425 -3.681 457 HZ3 LYS 52 3HZ LYS 52 -14.778 -9.279 -4.628 458 H TRP 53 H TRP 53 -8.679 -6.023 0.102 459 HA TRP 53 HA TRP 53 -9.679 -3.859 -1.418 460 HB2 TRP 53 2HB TRP 53 -9.588 -2.480 0.532 461 HB3 TRP 53 1HB TRP 53 -10.108 -4.074 1.045 462 HD1 TRP 53 HD TRP 53 -8.315 -5.478 2.602 463 HE1 TRP 53 1HE TRP 53 -6.395 -4.678 4.094 464 HE3 TRP 53 3HE TRP 53 -7.749 -0.744 0.749 465 HZ2 TRP 53 2HZ TRP 53 -4.834 -2.376 4.449 466 HZ3 TRP 53 3HZ TRP 53 -6.008 0.685 1.726 467 HH2 TRP 53 HH TRP 53 -4.584 -0.109 3.538 468 H VAL 54 H VAL 54 -6.505 -4.824 -0.482 469 HA VAL 54 HA VAL 54 -5.156 -2.420 -1.183 470 HB VAL 54 HB VAL 54 -4.129 -5.253 -0.805 471 HG11 VAL 54 1HG1 VAL 54 -2.571 -2.683 -1.080 472 HG12 VAL 54 2HG1 VAL 54 -2.581 -4.012 -2.239 473 HG13 VAL 54 3HG1 VAL 54 -1.889 -4.239 -0.627 474 HG21 VAL 54 1HG2 VAL 54 -4.010 -2.834 0.973 475 HG22 VAL 54 2HG2 VAL 54 -3.327 -4.425 1.331 476 HG23 VAL 54 3HG2 VAL 54 -5.072 -4.220 1.184 477 H GLN 55 H GLN 55 -5.774 -5.491 -2.744 478 HA GLN 55 HA GLN 55 -4.296 -4.961 -5.058 479 HB2 GLN 55 2HB GLN 55 -6.654 -6.805 -4.763 480 HB3 GLN 55 1HB GLN 55 -5.468 -6.828 -6.068 481 HG2 GLN 55 2HG GLN 55 -3.712 -7.094 -4.300 482 HG3 GLN 55 1HG GLN 55 -5.028 -7.388 -3.175 483 HE21 GLN 55 1HE2 GLN 55 -2.896 -8.999 -3.939 484 HE22 GLN 55 2HE2 GLN 55 -3.512 -10.450 -4.621 485 H LYS 56 H LYS 56 -7.667 -4.396 -4.198 486 HA LYS 56 HA LYS 56 -8.548 -3.431 -6.680 487 HB2 LYS 56 2HB LYS 56 -9.993 -4.189 -4.721 488 HB3 LYS 56 1HB LYS 56 -9.529 -2.708 -3.925 489 HG2 LYS 56 2HG LYS 56 -10.560 -1.378 -5.603 490 HG3 LYS 56 1HG LYS 56 -10.954 -2.819 -6.549 491 HD2 LYS 56 2HD LYS 56 -12.365 -3.609 -4.683 492 HD3 LYS 56 1HD LYS 56 -12.006 -2.124 -3.802 493 HE2 LYS 56 2HE LYS 56 -13.027 -0.807 -5.603 494 HE3 LYS 56 1HE LYS 56 -13.381 -2.285 -6.485 495 HZ1 LYS 56 1HZ LYS 56 -14.862 -2.970 -4.748 496 HZ2 LYS 56 2HZ LYS 56 -15.318 -1.454 -5.275 497 HZ3 LYS 56 3HZ LYS 56 -14.527 -1.635 -3.797 498 H ALA 57 H ALA 57 -6.990 -1.950 -3.890 499 HA ALA 57 HA ALA 57 -7.298 0.729 -4.757 500 HB1 ALA 57 1HB ALA 57 -5.650 1.293 -3.035 501 HB2 ALA 57 2HB ALA 57 -5.294 -0.402 -2.772 502 HB3 ALA 57 3HB ALA 57 -6.911 0.230 -2.400 503 H MET 58 H MET 58 -4.690 -1.602 -4.978 504 HA MET 58 HA MET 58 -2.793 0.092 -5.928 505 HB2 MET 58 2HB MET 58 -2.957 -2.872 -6.349 506 HB3 MET 58 1HB MET 58 -1.596 -1.917 -6.910 507 HG2 MET 58 2HG MET 58 -1.329 -1.133 -4.529 508 HG3 MET 58 1HG MET 58 -2.500 -2.372 -4.088 509 HE1 MET 58 1HE MET 58 -0.546 -5.636 -5.101 510 HE2 MET 58 2HE MET 58 -1.689 -4.776 -6.142 511 HE3 MET 58 3HE MET 58 -2.052 -5.017 -4.420 512 H LYS 59 H LYS 59 -5.186 -1.668 -7.809 513 HA LYS 59 HA LYS 59 -4.031 -1.067 -10.285 514 HB2 LYS 59 2HB LYS 59 -6.934 -1.613 -9.634 515 HB3 LYS 59 1HB LYS 59 -6.194 -1.692 -11.228 516 HG2 LYS 59 2HG LYS 59 -4.748 -3.535 -10.433 517 HG3 LYS 59 1HG LYS 59 -5.573 -3.482 -8.880 518 HD2 LYS 59 2HD LYS 59 -6.507 -5.263 -10.198 519 HD3 LYS 59 1HD LYS 59 -7.708 -3.977 -10.067 520 HE2 LYS 59 2HE LYS 59 -7.110 -3.176 -12.300 521 HE3 LYS 59 1HE LYS 59 -5.864 -4.419 -12.413 522 HZ1 LYS 59 1HZ LYS 59 -7.646 -6.095 -12.263 523 HZ2 LYS 59 2HZ LYS 59 -7.835 -5.083 -13.596 524 HZ3 LYS 59 3HZ LYS 59 -8.789 -4.866 -12.244 525 H HIS 60 H HIS 60 -6.343 0.608 -8.215 526 HA HIS 60 HA HIS 60 -6.907 2.622 -10.138 527 HB2 HIS 60 2HB HIS 60 -8.544 2.042 -8.497 528 HB3 HIS 60 1HB HIS 60 -7.420 2.389 -7.186 529 HD1 HIS 60 1HD HIS 60 -9.497 4.159 -9.844 530 HD2 HIS 60 2HD HIS 60 -7.378 4.959 -6.386 531 HE1 HIS 60 1HE HIS 60 -10.015 6.541 -9.319 532 HE2 HIS 60 2HE HIS 60 -8.848 7.004 -7.148 533 H LEU 61 H LEU 61 -4.784 2.349 -7.359 534 HA LEU 61 HA LEU 61 -3.879 5.036 -7.418 535 HB2 LEU 61 2HB LEU 61 -2.687 2.561 -6.204 536 HB3 LEU 61 1HB LEU 61 -2.057 4.176 -5.929 537 HG LEU 61 HG LEU 61 -4.834 3.255 -5.161 538 HD11 LEU 61 1HD1 LEU 61 -2.387 3.646 -3.442 539 HD12 LEU 61 2HD1 LEU 61 -3.145 2.100 -3.845 540 HD13 LEU 61 3HD1 LEU 61 -4.018 3.281 -2.878 541 HD21 LEU 61 1HD2 LEU 61 -3.298 5.765 -4.510 542 HD22 LEU 61 2HD2 LEU 61 -4.867 5.323 -3.848 543 HD23 LEU 61 3HD2 LEU 61 -4.702 5.652 -5.573 544 H ASP 62 H ASP 62 -3.020 2.218 -9.182 545 HA ASP 62 HA ASP 62 -0.480 3.082 -10.159 546 HB2 ASP 62 2HB ASP 62 -1.168 0.723 -10.224 547 HB3 ASP 62 1HB ASP 62 -2.503 1.128 -11.291 548 H LYS 63 H LYS 63 -3.749 3.896 -10.839 549 HA LYS 63 HA LYS 63 -3.206 4.789 -13.509 550 HB2 LYS 63 2HB LYS 63 -5.740 5.226 -11.919 551 HB3 LYS 63 1HB LYS 63 -5.548 5.304 -13.666 552 HG2 LYS 63 2HG LYS 63 -5.419 2.848 -11.928 553 HG3 LYS 63 1HG LYS 63 -6.672 3.267 -13.095 554 HD2 LYS 63 2HD LYS 63 -5.102 2.993 -14.923 555 HD3 LYS 63 1HD LYS 63 -3.784 2.734 -13.779 556 HE2 LYS 63 2HE LYS 63 -4.521 0.582 -14.654 557 HE3 LYS 63 1HE LYS 63 -4.930 0.712 -12.945 558 HZ1 LYS 63 1HZ LYS 63 -6.784 1.183 -15.187 559 HZ2 LYS 63 2HZ LYS 63 -7.194 1.262 -13.559 560 HZ3 LYS 63 3HZ LYS 63 -6.740 -0.209 -14.264 561 H LYS 64 H LYS 64 -2.333 5.976 -10.687 562 HA LYS 64 HA LYS 64 -2.884 8.768 -11.339 563 HB2 LYS 64 2HB LYS 64 -1.722 7.550 -8.820 564 HB3 LYS 64 1HB LYS 64 -1.967 9.264 -9.084 565 HG2 LYS 64 2HG LYS 64 -4.396 8.863 -9.225 566 HG3 LYS 64 1HG LYS 64 -4.110 7.155 -8.874 567 HD2 LYS 64 2HD LYS 64 -3.090 7.757 -6.736 568 HD3 LYS 64 1HD LYS 64 -3.327 9.464 -7.099 569 HE2 LYS 64 2HE LYS 64 -5.763 9.092 -7.142 570 HE3 LYS 64 1HE LYS 64 -5.495 7.399 -6.742 571 HZ1 LYS 64 1HZ LYS 64 -4.774 9.721 -5.021 572 HZ2 LYS 64 2HZ LYS 64 -4.477 8.127 -4.626 573 HZ3 LYS 64 3HZ LYS 64 -6.053 8.676 -4.767 Start of MODEL 12 1 H1 ALA 1 1HT ALA 1 13.812 5.837 13.124 2 H2 ALA 1 2HT ALA 1 14.759 7.188 12.783 3 H3 ALA 1 3HT ALA 1 15.380 5.926 13.728 4 HA ALA 1 HA ALA 1 16.258 5.845 11.484 5 HB1 ALA 1 1HB ALA 1 16.000 3.782 12.770 6 HB2 ALA 1 2HB ALA 1 15.719 3.514 11.052 7 HB3 ALA 1 3HB ALA 1 14.351 3.609 12.161 8 H ARG 2 H ARG 2 15.803 5.357 9.224 9 HA ARG 2 HA ARG 2 13.141 6.268 8.424 10 HB2 ARG 2 2HB ARG 2 15.743 6.286 6.857 11 HB3 ARG 2 1HB ARG 2 14.186 6.650 6.149 12 HG2 ARG 2 2HG ARG 2 15.291 8.715 6.555 13 HG3 ARG 2 1HG ARG 2 14.008 8.567 7.750 14 HD2 ARG 2 2HD ARG 2 15.670 7.814 9.398 15 HD3 ARG 2 1HD ARG 2 16.941 8.024 8.197 16 HE ARG 2 HE ARG 2 15.240 10.283 8.896 17 HH11 ARG 2 1HH1 ARG 2 18.449 8.795 8.939 18 HH12 ARG 2 2HH1 ARG 2 19.258 10.195 9.472 19 HH21 ARG 2 1HH2 ARG 2 16.360 12.225 9.653 20 HH22 ARG 2 2HH2 ARG 2 18.038 12.163 9.900 21 H LYS 3 H LYS 3 11.832 4.660 7.937 22 HA LYS 3 HA LYS 3 13.071 2.272 6.817 23 HB2 LYS 3 2HB LYS 3 10.520 2.493 8.411 24 HB3 LYS 3 1HB LYS 3 11.081 1.023 7.623 25 HG2 LYS 3 2HG LYS 3 13.108 1.080 8.970 26 HG3 LYS 3 1HG LYS 3 12.525 2.522 9.798 27 HD2 LYS 3 2HD LYS 3 10.597 1.250 10.622 28 HD3 LYS 3 1HD LYS 3 11.194 -0.185 9.786 29 HE2 LYS 3 2HE LYS 3 12.639 1.314 11.968 30 HE3 LYS 3 1HE LYS 3 11.788 -0.217 12.165 31 HZ1 LYS 3 1HZ LYS 3 13.366 -1.232 10.617 32 HZ2 LYS 3 2HZ LYS 3 14.184 -0.543 11.908 33 HZ3 LYS 3 3HZ LYS 3 14.170 0.224 10.422 34 H SER 4 H SER 4 12.605 1.662 4.914 35 HA SER 4 HA SER 4 10.297 2.822 3.533 36 HB2 SER 4 2HB SER 4 12.866 1.701 2.392 37 HB3 SER 4 1HB SER 4 11.591 2.545 1.505 38 HG SER 4 HG SER 4 12.549 3.887 3.670 39 H CYS 5 H CYS 5 11.405 0.152 5.089 40 HA CYS 5 HA CYS 5 9.915 -1.716 3.403 41 HB2 CYS 5 2HB CYS 5 12.159 -2.245 5.347 42 HB3 CYS 5 1HB CYS 5 11.234 -3.481 4.516 43 H CYS 6 H CYS 6 8.471 -3.054 4.404 44 HA CYS 6 HA CYS 6 7.785 -2.413 7.149 45 HB2 CYS 6 2HB CYS 6 6.161 -3.344 4.812 46 HB3 CYS 6 1HB CYS 6 5.542 -3.151 6.447 47 H LEU 7 H LEU 7 7.361 -4.104 8.470 48 HA LEU 7 HA LEU 7 7.928 -6.810 7.467 49 HB2 LEU 7 2HB LEU 7 8.570 -5.675 10.208 50 HB3 LEU 7 1HB LEU 7 8.692 -7.363 9.797 51 HG LEU 7 HG LEU 7 10.470 -6.723 8.121 52 HD11 LEU 7 1HD1 LEU 7 11.624 -4.607 8.412 53 HD12 LEU 7 2HD1 LEU 7 10.393 -4.082 9.562 54 HD13 LEU 7 3HD1 LEU 7 9.963 -4.366 7.874 55 HD21 LEU 7 1HD2 LEU 7 10.985 -7.716 10.274 56 HD22 LEU 7 2HD2 LEU 7 10.996 -6.122 11.024 57 HD23 LEU 7 3HD2 LEU 7 12.209 -6.539 9.811 58 H LYS 8 H LYS 8 5.596 -4.794 8.439 59 HA LYS 8 HA LYS 8 3.915 -6.925 9.445 60 HB2 LYS 8 2HB LYS 8 4.655 -5.516 11.330 61 HB3 LYS 8 1HB LYS 8 4.142 -4.082 10.464 62 HG2 LYS 8 2HG LYS 8 1.857 -4.883 10.503 63 HG3 LYS 8 1HG LYS 8 2.354 -6.294 11.432 64 HD2 LYS 8 2HD LYS 8 2.630 -3.407 12.313 65 HD3 LYS 8 1HD LYS 8 1.385 -4.519 12.874 66 HE2 LYS 8 2HE LYS 8 4.366 -4.824 13.306 67 HE3 LYS 8 1HE LYS 8 3.197 -4.287 14.502 68 HZ1 LYS 8 1HZ LYS 8 2.098 -6.486 14.287 69 HZ2 LYS 8 2HZ LYS 8 3.692 -6.599 14.822 70 HZ3 LYS 8 3HZ LYS 8 3.330 -6.972 13.245 71 H TYR 9 H TYR 9 1.780 -6.662 8.708 72 HA TYR 9 HA TYR 9 1.329 -4.579 6.681 73 HB2 TYR 9 2HB TYR 9 -0.430 -7.091 6.977 74 HB3 TYR 9 1HB TYR 9 -0.259 -5.974 5.687 75 HD1 TYR 9 1HD TYR 9 1.235 -6.249 3.990 76 HD2 TYR 9 2HD TYR 9 1.490 -8.754 7.381 77 HE1 TYR 9 1HE TYR 9 2.777 -7.735 2.766 78 HE2 TYR 9 2HE TYR 9 3.029 -10.254 6.180 79 HH TYR 9 HH TYR 9 4.406 -9.327 3.172 80 H THR 10 H THR 10 -0.717 -3.427 6.902 81 HA THR 10 HA THR 10 -1.552 -3.105 9.552 82 HB THR 10 HB THR 10 -1.719 -1.195 8.055 83 HG1 THR 10 1HG THR 10 -4.340 -1.202 8.238 84 HG21 THR 10 1HG2 THR 10 -3.364 -1.110 6.216 85 HG22 THR 10 2HG2 THR 10 -3.769 -2.803 6.509 86 HG23 THR 10 3HG2 THR 10 -2.155 -2.360 5.942 87 H LYS 11 H LYS 11 -3.339 -3.796 10.569 88 HA LYS 11 HA LYS 11 -4.603 -6.167 9.435 89 HB2 LYS 11 2HB LYS 11 -3.541 -6.172 11.709 90 HB3 LYS 11 1HB LYS 11 -4.762 -5.032 12.232 91 HG2 LYS 11 2HG LYS 11 -6.485 -6.700 11.865 92 HG3 LYS 11 1HG LYS 11 -5.268 -7.837 11.269 93 HD2 LYS 11 2HD LYS 11 -4.119 -7.711 13.435 94 HD3 LYS 11 1HD LYS 11 -5.382 -6.636 14.033 95 HE2 LYS 11 2HE LYS 11 -7.036 -8.403 13.657 96 HE3 LYS 11 1HE LYS 11 -5.758 -9.467 13.076 97 HZ1 LYS 11 1HZ LYS 11 -6.249 -9.943 15.356 98 HZ2 LYS 11 2HZ LYS 11 -5.981 -8.341 15.816 99 HZ3 LYS 11 3HZ LYS 11 -4.708 -9.285 15.240 100 H ARG 12 H ARG 12 -5.162 -2.921 9.582 101 HA ARG 12 HA ARG 12 -8.050 -3.337 9.367 102 HB2 ARG 12 2HB ARG 12 -8.444 -1.120 10.298 103 HB3 ARG 12 1HB ARG 12 -7.489 -2.063 11.424 104 HG2 ARG 12 2HG ARG 12 -5.465 -0.888 10.685 105 HG3 ARG 12 1HG ARG 12 -6.439 0.063 9.567 106 HD2 ARG 12 2HD ARG 12 -7.747 0.903 11.491 107 HD3 ARG 12 1HD ARG 12 -6.652 0.023 12.564 108 HE ARG 12 HE ARG 12 -5.530 1.950 10.697 109 HH11 ARG 12 1HH1 ARG 12 -6.310 1.134 14.048 110 HH12 ARG 12 2HH1 ARG 12 -5.379 2.388 14.721 111 HH21 ARG 12 1HH2 ARG 12 -4.305 3.646 11.564 112 HH22 ARG 12 2HH2 ARG 12 -4.167 3.910 13.245 113 HA PRO 13 HA PRO 13 -7.390 -1.883 5.242 114 HB2 PRO 13 2HB PRO 13 -9.961 -1.147 4.674 115 HB3 PRO 13 1HB PRO 13 -9.388 -2.819 4.649 116 HG2 PRO 13 2HG PRO 13 -10.859 -1.356 6.800 117 HG3 PRO 13 1HG PRO 13 -11.116 -3.008 6.202 118 HD2 PRO 13 2HD PRO 13 -9.804 -2.498 8.480 119 HD3 PRO 13 1HD PRO 13 -9.325 -3.840 7.415 120 H LEU 14 H LEU 14 -6.934 -0.009 4.280 121 HA LEU 14 HA LEU 14 -7.346 2.525 5.722 122 HB2 LEU 14 2HB LEU 14 -5.099 1.440 4.723 123 HB3 LEU 14 1HB LEU 14 -5.730 2.082 3.244 124 HG LEU 14 HG LEU 14 -4.780 3.590 5.655 125 HD11 LEU 14 1HD1 LEU 14 -3.860 3.471 2.828 126 HD12 LEU 14 2HD1 LEU 14 -3.063 2.777 4.248 127 HD13 LEU 14 3HD1 LEU 14 -3.215 4.529 4.075 128 HD21 LEU 14 1HD2 LEU 14 -6.665 4.871 4.864 129 HD22 LEU 14 2HD2 LEU 14 -6.075 4.743 3.185 130 HD23 LEU 14 3HD2 LEU 14 -5.125 5.604 4.394 131 HA PRO 15 HA PRO 15 -10.535 3.030 2.493 132 HB2 PRO 15 2HB PRO 15 -10.449 5.882 3.274 133 HB3 PRO 15 1HB PRO 15 -11.826 4.781 3.236 134 HG2 PRO 15 2HG PRO 15 -10.734 5.572 5.552 135 HG3 PRO 15 1HG PRO 15 -11.386 3.935 5.335 136 HD2 PRO 15 2HD PRO 15 -8.558 4.877 5.358 137 HD3 PRO 15 1HD PRO 15 -9.259 3.381 6.012 138 H LEU 16 H LEU 16 -10.234 3.476 0.394 139 HA LEU 16 HA LEU 16 -7.760 4.375 -0.573 140 HB2 LEU 16 2HB LEU 16 -9.013 2.803 -1.818 141 HB3 LEU 16 1HB LEU 16 -10.367 3.949 -1.991 142 HG LEU 16 HG LEU 16 -8.751 5.315 -3.330 143 HD11 LEU 16 1HD1 LEU 16 -6.804 4.092 -4.255 144 HD12 LEU 16 2HD1 LEU 16 -7.124 2.798 -3.114 145 HD13 LEU 16 3HD1 LEU 16 -6.680 4.389 -2.517 146 HD21 LEU 16 1HD2 LEU 16 -9.448 2.555 -4.240 147 HD22 LEU 16 2HD2 LEU 16 -9.050 3.951 -5.281 148 HD23 LEU 16 3HD2 LEU 16 -10.480 3.990 -4.230 149 H LYS 17 H LYS 17 -10.708 5.954 -0.048 150 HA LYS 17 HA LYS 17 -10.288 8.304 -1.507 151 HB2 LYS 17 2HB LYS 17 -11.946 7.827 0.960 152 HB3 LYS 17 1HB LYS 17 -12.019 9.295 -0.007 153 HG2 LYS 17 2HG LYS 17 -12.703 8.002 -1.953 154 HG3 LYS 17 1HG LYS 17 -12.625 6.518 -1.008 155 HD2 LYS 17 2HD LYS 17 -14.444 8.855 -0.430 156 HD3 LYS 17 1HD LYS 17 -14.919 7.396 -1.298 157 HE2 LYS 17 2HE LYS 17 -14.375 6.068 0.696 158 HE3 LYS 17 1HE LYS 17 -13.953 7.549 1.554 159 HZ1 LYS 17 1HZ LYS 17 -16.613 6.921 0.413 160 HZ2 LYS 17 2HZ LYS 17 -16.228 8.316 1.270 161 HZ3 LYS 17 3HZ LYS 17 -16.219 6.810 2.036 162 H ARG 18 H ARG 18 -8.577 7.189 1.037 163 HA ARG 18 HA ARG 18 -7.668 9.927 1.841 164 HB2 ARG 18 2HB ARG 18 -7.571 7.379 3.479 165 HB3 ARG 18 1HB ARG 18 -6.905 8.925 3.965 166 HG2 ARG 18 2HG ARG 18 -9.826 8.341 3.509 167 HG3 ARG 18 1HG ARG 18 -9.027 8.422 5.078 168 HD2 ARG 18 2HD ARG 18 -8.415 10.785 4.560 169 HD3 ARG 18 1HD ARG 18 -9.379 10.663 3.089 170 HE ARG 18 HE ARG 18 -10.880 9.897 5.356 171 HH11 ARG 18 1HH1 ARG 18 -9.707 12.757 3.652 172 HH12 ARG 18 2HH1 ARG 18 -10.858 13.804 4.323 173 HH21 ARG 18 1HH2 ARG 18 -12.471 11.343 6.280 174 HH22 ARG 18 2HH2 ARG 18 -12.444 12.990 5.855 175 H ILE 19 H ILE 19 -6.791 7.604 -0.161 176 HA ILE 19 HA ILE 19 -3.984 7.486 0.704 177 HB ILE 19 HB ILE 19 -5.373 5.738 -1.354 178 HG12 ILE 19 2HG1 ILE 19 -4.589 5.019 1.457 179 HG13 ILE 19 1HG1 ILE 19 -6.248 5.403 1.016 180 HG21 ILE 19 1HG2 ILE 19 -2.689 5.485 0.035 181 HG22 ILE 19 2HG2 ILE 19 -2.934 5.887 -1.662 182 HG23 ILE 19 3HG2 ILE 19 -3.377 4.292 -1.053 183 HD11 ILE 19 1HD1 ILE 19 -6.192 3.465 -0.570 184 HD12 ILE 19 2HD1 ILE 19 -5.906 3.003 1.112 185 HD13 ILE 19 3HD1 ILE 19 -4.576 3.166 -0.053 186 H LYS 20 H LYS 20 -2.462 8.339 -0.584 187 HA LYS 20 HA LYS 20 -3.342 9.735 -2.979 188 HB2 LYS 20 2HB LYS 20 -0.677 9.838 -1.557 189 HB3 LYS 20 1HB LYS 20 -1.146 10.863 -2.886 190 HG2 LYS 20 2HG LYS 20 -2.294 10.811 -0.156 191 HG3 LYS 20 1HG LYS 20 -1.330 12.085 -0.912 192 HD2 LYS 20 2HD LYS 20 -4.088 11.169 -1.591 193 HD3 LYS 20 1HD LYS 20 -3.634 12.689 -0.881 194 HE2 LYS 20 2HE LYS 20 -2.380 13.394 -2.854 195 HE3 LYS 20 1HE LYS 20 -2.782 11.887 -3.688 196 HZ1 LYS 20 1HZ LYS 20 -4.664 14.040 -2.867 197 HZ2 LYS 20 2HZ LYS 20 -5.128 12.584 -3.600 198 HZ3 LYS 20 3HZ LYS 20 -4.165 13.677 -4.424 199 H SER 21 H SER 21 -0.912 7.309 -1.979 200 HA SER 21 HA SER 21 -0.805 6.163 -4.591 201 HB2 SER 21 2HB SER 21 1.619 7.733 -3.611 202 HB3 SER 21 1HB SER 21 1.598 6.673 -5.011 203 HG SER 21 HG SER 21 1.386 8.852 -5.569 204 H TYR 22 H TYR 22 1.035 4.459 -4.581 205 HA TYR 22 HA TYR 22 1.695 3.600 -1.848 206 HB2 TYR 22 2HB TYR 22 1.267 1.315 -2.397 207 HB3 TYR 22 1HB TYR 22 -0.197 2.236 -2.673 208 HD1 TYR 22 1HD TYR 22 -1.294 2.016 -4.681 209 HD2 TYR 22 2HD TYR 22 2.730 0.744 -4.490 210 HE1 TYR 22 1HE TYR 22 -1.511 1.008 -6.896 211 HE2 TYR 22 2HE TYR 22 2.548 -0.248 -6.728 212 HH TYR 22 HH TYR 22 -0.030 0.409 -8.781 213 H THR 23 H THR 23 3.338 1.913 -1.902 214 HA THR 23 HA THR 23 5.230 2.237 -4.105 215 HB THR 23 HB THR 23 5.857 2.154 -1.147 216 HG1 THR 23 1HG THR 23 5.181 4.125 -2.679 217 HG21 THR 23 1HG2 THR 23 7.509 0.953 -2.482 218 HG22 THR 23 2HG2 THR 23 8.195 2.446 -1.832 219 HG23 THR 23 3HG2 THR 23 7.708 2.353 -3.533 220 H ILE 24 H ILE 24 5.964 0.304 -4.866 221 HA ILE 24 HA ILE 24 4.980 -2.124 -3.687 222 HB ILE 24 HB ILE 24 6.834 -1.727 -6.056 223 HG12 ILE 24 2HG1 ILE 24 3.847 -2.234 -5.987 224 HG13 ILE 24 1HG1 ILE 24 4.611 -0.699 -6.374 225 HG21 ILE 24 1HG2 ILE 24 5.284 -4.167 -5.157 226 HG22 ILE 24 2HG2 ILE 24 7.037 -3.968 -5.094 227 HG23 ILE 24 3HG2 ILE 24 6.212 -4.039 -6.651 228 HD11 ILE 24 1HD1 ILE 24 4.862 -3.248 -7.956 229 HD12 ILE 24 2HD1 ILE 24 5.636 -1.713 -8.348 230 HD13 ILE 24 3HD1 ILE 24 3.878 -1.849 -8.380 231 H GLN 25 H GLN 25 5.996 -2.954 -1.995 232 HA GLN 25 HA GLN 25 8.864 -2.625 -1.674 233 HB2 GLN 25 2HB GLN 25 7.749 -2.303 0.326 234 HB3 GLN 25 1HB GLN 25 6.661 -3.653 0.126 235 HG2 GLN 25 2HG GLN 25 8.543 -5.169 0.495 236 HG3 GLN 25 1HG GLN 25 9.597 -3.776 0.733 237 HE21 GLN 25 1HE2 GLN 25 8.707 -5.975 2.500 238 HE22 GLN 25 2HE2 GLN 25 8.127 -5.211 3.936 239 H SER 26 H SER 26 10.313 -4.173 -2.011 240 HA SER 26 HA SER 26 9.243 -6.610 -3.166 241 HB2 SER 26 2HB SER 26 11.452 -6.866 -4.233 242 HB3 SER 26 1HB SER 26 10.727 -5.309 -4.610 243 HG SER 26 HG SER 26 12.037 -4.386 -2.971 244 H ASN 27 H ASN 27 9.923 -8.619 -2.438 245 HA ASN 27 HA ASN 27 10.950 -8.687 0.255 246 HB2 ASN 27 2HB ASN 27 10.768 -11.193 0.066 247 HB3 ASN 27 1HB ASN 27 9.260 -10.339 -0.235 248 HD21 ASN 27 1HD2 ASN 27 8.355 -10.432 -2.244 249 HD22 ASN 27 2HD2 ASN 27 8.906 -11.466 -3.491 250 H GLU 28 H GLU 28 12.343 -8.392 -2.641 251 HA GLU 28 HA GLU 28 14.740 -9.871 -2.233 252 HB2 GLU 28 2HB GLU 28 14.159 -7.502 -4.006 253 HB3 GLU 28 1HB GLU 28 15.629 -8.464 -4.075 254 HG2 GLU 28 2HG GLU 28 14.322 -10.434 -4.675 255 HG3 GLU 28 1HG GLU 28 12.843 -9.484 -4.573 256 H ALA 29 H ALA 29 13.795 -6.486 -1.718 257 HA ALA 29 HA ALA 29 16.375 -5.926 -0.455 258 HB1 ALA 29 1HB ALA 29 15.713 -3.585 -0.585 259 HB2 ALA 29 2HB ALA 29 14.129 -4.059 -1.188 260 HB3 ALA 29 3HB ALA 29 15.564 -4.371 -2.161 261 H CYS 30 H CYS 30 13.027 -6.340 0.325 262 HA CYS 30 HA CYS 30 13.583 -5.554 3.099 263 HB2 CYS 30 2HB CYS 30 10.950 -5.670 1.637 264 HB3 CYS 30 1HB CYS 30 11.215 -5.052 3.259 265 H ASN 31 H ASN 31 12.226 -6.881 4.679 266 HA ASN 31 HA ASN 31 12.752 -9.613 4.419 267 HB2 ASN 31 2HB ASN 31 10.798 -8.198 6.233 268 HB3 ASN 31 1HB ASN 31 11.075 -9.929 6.303 269 HD21 ASN 31 1HD2 ASN 31 11.831 -9.823 8.387 270 HD22 ASN 31 2HD2 ASN 31 13.383 -9.160 8.769 271 H ILE 32 H ILE 32 9.813 -7.863 3.730 272 HA ILE 32 HA ILE 32 8.705 -10.295 2.499 273 HB ILE 32 HB ILE 32 6.467 -9.683 3.371 274 HG12 ILE 32 2HG1 ILE 32 7.983 -7.585 4.949 275 HG13 ILE 32 1HG1 ILE 32 6.835 -7.278 3.656 276 HG21 ILE 32 1HG2 ILE 32 8.552 -9.980 5.481 277 HG22 ILE 32 2HG2 ILE 32 7.806 -11.312 4.580 278 HG23 ILE 32 3HG2 ILE 32 6.838 -10.333 5.703 279 HD11 ILE 32 1HD1 ILE 32 6.221 -8.516 6.327 280 HD12 ILE 32 2HD1 ILE 32 5.052 -8.220 5.037 281 HD13 ILE 32 3HD1 ILE 32 5.855 -6.863 5.828 282 H LYS 33 H LYS 33 6.673 -9.598 1.226 283 HA LYS 33 HA LYS 33 7.164 -7.055 -0.096 284 HB2 LYS 33 2HB LYS 33 6.988 -9.031 -1.555 285 HB3 LYS 33 1HB LYS 33 5.416 -9.409 -0.870 286 HG2 LYS 33 2HG LYS 33 4.458 -7.418 -1.832 287 HG3 LYS 33 1HG LYS 33 6.040 -6.888 -2.390 288 HD2 LYS 33 2HD LYS 33 6.207 -8.890 -3.819 289 HD3 LYS 33 1HD LYS 33 4.588 -9.371 -3.308 290 HE2 LYS 33 2HE LYS 33 3.638 -7.392 -4.304 291 HE3 LYS 33 1HE LYS 33 5.242 -6.775 -4.695 292 HZ1 LYS 33 1HZ LYS 33 4.062 -9.268 -5.817 293 HZ2 LYS 33 2HZ LYS 33 5.569 -8.618 -6.168 294 HZ3 LYS 33 3HZ LYS 33 4.185 -7.795 -6.627 295 H ALA 34 H ALA 34 6.030 -5.412 0.692 296 HA ALA 34 HA ALA 34 3.252 -5.804 1.456 297 HB1 ALA 34 1HB ALA 34 4.518 -5.911 3.578 298 HB2 ALA 34 2HB ALA 34 3.586 -4.429 3.499 299 HB3 ALA 34 3HB ALA 34 5.315 -4.394 3.183 300 H ILE 35 H ILE 35 2.199 -4.420 0.177 301 HA ILE 35 HA ILE 35 3.527 -2.264 -1.142 302 HB ILE 35 HB ILE 35 0.539 -2.743 -0.840 303 HG12 ILE 35 2HG1 ILE 35 1.732 -4.622 -1.868 304 HG13 ILE 35 1HG1 ILE 35 0.648 -3.846 -3.035 305 HG21 ILE 35 1HG2 ILE 35 0.314 -1.319 -2.883 306 HG22 ILE 35 2HG2 ILE 35 2.035 -0.994 -2.811 307 HG23 ILE 35 3HG2 ILE 35 0.991 -0.456 -1.510 308 HD11 ILE 35 1HD1 ILE 35 2.677 -4.512 -4.038 309 HD12 ILE 35 2HD1 ILE 35 3.638 -3.676 -2.813 310 HD13 ILE 35 3HD1 ILE 35 2.672 -2.743 -3.975 311 H ILE 36 H ILE 36 3.894 -0.234 -0.433 312 HA ILE 36 HA ILE 36 2.810 0.416 2.187 313 HB ILE 36 HB ILE 36 4.957 1.938 0.658 314 HG12 ILE 36 2HG1 ILE 36 6.465 1.063 2.580 315 HG13 ILE 36 1HG1 ILE 36 5.213 -0.145 2.817 316 HG21 ILE 36 1HG2 ILE 36 3.781 3.365 2.170 317 HG22 ILE 36 2HG2 ILE 36 5.422 3.026 2.756 318 HG23 ILE 36 3HG2 ILE 36 4.040 2.209 3.489 319 HD11 ILE 36 1HD1 ILE 36 5.541 -0.906 0.556 320 HD12 ILE 36 2HD1 ILE 36 7.037 -0.937 1.517 321 HD13 ILE 36 3HD1 ILE 36 6.763 0.354 0.336 322 H PHE 37 H PHE 37 1.068 1.450 2.219 323 HA PHE 37 HA PHE 37 0.120 3.111 0.046 324 HB2 PHE 37 2HB PHE 37 -1.003 2.072 2.629 325 HB3 PHE 37 1HB PHE 37 -1.825 3.334 1.714 326 HD1 PHE 37 1HD PHE 37 -0.035 0.496 0.291 327 HD2 PHE 37 2HD PHE 37 -3.741 2.157 1.248 328 HE1 PHE 37 1HE PHE 37 -1.208 -1.261 -1.129 329 HE2 PHE 37 2HE PHE 37 -4.903 0.476 -0.112 330 HZ PHE 37 HZ PHE 37 -3.631 -1.220 -1.290 331 H THR 38 H THR 38 0.056 5.225 0.132 332 HA THR 38 HA THR 38 0.948 6.459 2.631 333 HB THR 38 HB THR 38 1.390 7.497 -0.182 334 HG1 THR 38 1HG THR 38 2.583 5.591 1.185 335 HG21 THR 38 1HG2 THR 38 1.282 9.221 1.518 336 HG22 THR 38 2HG2 THR 38 2.965 9.037 0.983 337 HG23 THR 38 3HG2 THR 38 2.420 8.342 2.522 338 H THR 39 H THR 39 -0.363 8.019 3.463 339 HA THR 39 HA THR 39 -2.918 8.325 2.156 340 HB THR 39 HB THR 39 -3.474 9.604 4.257 341 HG1 THR 39 1HG THR 39 -1.965 8.985 6.028 342 HG21 THR 39 1HG2 THR 39 -4.153 7.311 3.965 343 HG22 THR 39 2HG2 THR 39 -3.674 7.562 5.643 344 HG23 THR 39 3HG2 THR 39 -2.586 6.733 4.518 345 H LYS 40 H LYS 40 -3.890 10.603 2.489 346 HA LYS 40 HA LYS 40 -2.333 12.456 1.032 347 HB2 LYS 40 2HB LYS 40 -4.656 13.161 2.784 348 HB3 LYS 40 1HB LYS 40 -4.170 13.981 1.300 349 HG2 LYS 40 2HG LYS 40 -4.788 11.544 0.238 350 HG3 LYS 40 1HG LYS 40 -5.684 11.477 1.713 351 HD2 LYS 40 2HD LYS 40 -6.926 13.490 1.189 352 HD3 LYS 40 1HD LYS 40 -5.930 13.686 -0.262 353 HE2 LYS 40 2HE LYS 40 -6.747 11.658 -1.199 354 HE3 LYS 40 1HE LYS 40 -7.656 11.287 0.257 355 HZ1 LYS 40 1HZ LYS 40 -9.070 13.195 -0.155 356 HZ2 LYS 40 2HZ LYS 40 -9.050 12.199 -1.500 357 HZ3 LYS 40 3HZ LYS 40 -8.166 13.622 -1.504 358 H LYS 41 H LYS 41 -2.610 11.704 4.364 359 HA LYS 41 HA LYS 41 -1.336 14.096 5.328 360 HB2 LYS 41 2HB LYS 41 -1.758 11.393 6.632 361 HB3 LYS 41 1HB LYS 41 -0.930 12.708 7.428 362 HG2 LYS 41 2HG LYS 41 -3.162 12.610 8.264 363 HG3 LYS 41 1HG LYS 41 -3.034 14.046 7.258 364 HD2 LYS 41 2HD LYS 41 -4.153 12.833 5.433 365 HD3 LYS 41 1HD LYS 41 -4.273 11.408 6.462 366 HE2 LYS 41 2HE LYS 41 -5.541 14.103 6.988 367 HE3 LYS 41 1HE LYS 41 -6.381 12.650 6.457 368 HZ1 LYS 41 1HZ LYS 41 -5.022 13.065 9.069 369 HZ2 LYS 41 2HZ LYS 41 -5.691 11.596 8.587 370 HZ3 LYS 41 3HZ LYS 41 -6.669 12.950 8.811 371 H GLY 42 H GLY 42 -0.408 11.431 3.611 372 HA2 GLY 42 2HA GLY 42 1.594 10.947 2.704 373 HA3 GLY 42 1HA GLY 42 2.310 12.217 3.658 374 H ARG 43 H ARG 43 0.494 9.928 5.463 375 HA ARG 43 HA ARG 43 2.756 8.971 6.853 376 HB2 ARG 43 2HB ARG 43 0.516 9.405 7.814 377 HB3 ARG 43 1HB ARG 43 -0.102 8.098 6.806 378 HG2 ARG 43 2HG ARG 43 1.294 6.524 7.921 379 HG3 ARG 43 1HG ARG 43 1.984 7.817 8.920 380 HD2 ARG 43 2HD ARG 43 -0.248 8.239 9.876 381 HD3 ARG 43 1HD ARG 43 -0.912 6.918 8.919 382 HE ARG 43 HE ARG 43 1.198 5.892 10.389 383 HH11 ARG 43 1HH1 ARG 43 -1.952 7.346 11.122 384 HH12 ARG 43 2HH1 ARG 43 -2.171 6.450 12.564 385 HH21 ARG 43 1HH2 ARG 43 0.891 4.713 12.356 386 HH22 ARG 43 2HH2 ARG 43 -0.516 4.949 13.291 387 H LYS 44 H LYS 44 3.553 6.800 6.816 388 HA LYS 44 HA LYS 44 2.953 5.373 4.353 389 HB2 LYS 44 2HB LYS 44 5.195 4.946 6.345 390 HB3 LYS 44 1HB LYS 44 5.001 4.083 4.829 391 HG2 LYS 44 2HG LYS 44 5.585 7.030 5.160 392 HG3 LYS 44 1HG LYS 44 6.702 5.788 4.590 393 HD2 LYS 44 2HD LYS 44 5.217 5.392 2.658 394 HD3 LYS 44 1HD LYS 44 4.162 6.679 3.220 395 HE2 LYS 44 2HE LYS 44 5.581 7.577 1.496 396 HE3 LYS 44 1HE LYS 44 6.058 8.258 3.047 397 HZ1 LYS 44 1HZ LYS 44 7.437 6.034 1.643 398 HZ2 LYS 44 2HZ LYS 44 7.910 6.682 3.121 399 HZ3 LYS 44 3HZ LYS 44 7.973 7.624 1.728 400 H ILE 45 H ILE 45 1.549 3.781 4.388 401 HA ILE 45 HA ILE 45 1.105 2.291 6.878 402 HB ILE 45 HB ILE 45 -0.784 2.601 4.521 403 HG12 ILE 45 2HG1 ILE 45 -2.277 3.827 6.266 404 HG13 ILE 45 1HG1 ILE 45 -0.788 4.004 7.200 405 HG21 ILE 45 1HG2 ILE 45 -1.218 1.284 7.195 406 HG22 ILE 45 2HG2 ILE 45 -1.082 0.485 5.630 407 HG23 ILE 45 3HG2 ILE 45 -2.466 1.524 5.974 408 HD11 ILE 45 1HD1 ILE 45 -1.345 5.980 5.984 409 HD12 ILE 45 2HD1 ILE 45 -1.355 5.096 4.476 410 HD13 ILE 45 3HD1 ILE 45 0.169 5.295 5.357 411 H CYS 46 H CYS 46 1.578 0.198 6.786 412 HA CYS 46 HA CYS 46 2.581 -0.922 4.288 413 HB2 CYS 46 2HB CYS 46 2.498 -1.991 7.087 414 HB3 CYS 46 1HB CYS 46 3.477 -2.644 5.786 415 H ALA 47 H ALA 47 1.140 -2.081 3.017 416 HA ALA 47 HA ALA 47 -1.086 -3.328 4.466 417 HB1 ALA 47 1HB ALA 47 -1.096 -2.244 1.659 418 HB2 ALA 47 2HB ALA 47 -1.788 -1.444 3.069 419 HB3 ALA 47 3HB ALA 47 -2.463 -2.974 2.506 420 H ASN 48 H ASN 48 -1.762 -5.367 3.902 421 HA ASN 48 HA ASN 48 0.146 -7.111 2.725 422 HB2 ASN 48 2HB ASN 48 -1.165 -7.971 4.480 423 HB3 ASN 48 1HB ASN 48 -2.681 -7.486 3.766 424 HD21 ASN 48 1HD2 ASN 48 0.023 -9.104 2.207 425 HD22 ASN 48 2HD2 ASN 48 -0.861 -10.542 1.798 426 HA PRO 49 HA PRO 49 -0.939 -6.166 -1.486 427 HB2 PRO 49 2HB PRO 49 0.756 -8.545 -1.992 428 HB3 PRO 49 1HB PRO 49 0.879 -6.912 -2.660 429 HG2 PRO 49 2HG PRO 49 2.584 -7.811 -0.819 430 HG3 PRO 49 1HG PRO 49 2.054 -6.129 -0.802 431 HD2 PRO 49 2HD PRO 49 1.229 -8.409 0.883 432 HD3 PRO 49 1HD PRO 49 1.450 -6.702 1.323 433 H ASN 50 H ASN 50 -1.257 -9.370 0.068 434 HA ASN 50 HA ASN 50 -2.626 -10.521 -1.965 435 HB2 ASN 50 2HB ASN 50 -2.689 -11.162 0.958 436 HB3 ASN 50 1HB ASN 50 -3.257 -12.204 -0.341 437 HD21 ASN 50 1HD2 ASN 50 -1.717 -12.534 -1.909 438 HD22 ASN 50 2HD2 ASN 50 -0.066 -12.970 -1.527 439 H GLU 51 H GLU 51 -3.642 -8.096 0.252 440 HA GLU 51 HA GLU 51 -6.259 -9.121 0.627 441 HB2 GLU 51 2HB GLU 51 -5.277 -6.351 1.232 442 HB3 GLU 51 1HB GLU 51 -6.769 -7.075 1.797 443 HG2 GLU 51 2HG GLU 51 -5.126 -8.899 2.826 444 HG3 GLU 51 1HG GLU 51 -3.994 -7.626 2.502 445 H LYS 52 H LYS 52 -8.072 -8.740 -0.312 446 HA LYS 52 HA LYS 52 -8.281 -7.955 -2.936 447 HB2 LYS 52 2HB LYS 52 -9.869 -9.430 -1.908 448 HB3 LYS 52 1HB LYS 52 -10.339 -8.236 -0.735 449 HG2 LYS 52 2HG LYS 52 -10.905 -7.929 -3.680 450 HG3 LYS 52 1HG LYS 52 -11.983 -8.797 -2.592 451 HD2 LYS 52 2HD LYS 52 -12.180 -6.714 -1.237 452 HD3 LYS 52 1HD LYS 52 -11.174 -5.889 -2.428 453 HE2 LYS 52 2HE LYS 52 -13.540 -5.452 -2.814 454 HE3 LYS 52 1HE LYS 52 -12.837 -6.351 -4.156 455 HZ1 LYS 52 1HZ LYS 52 -14.484 -7.503 -1.964 456 HZ2 LYS 52 2HZ LYS 52 -13.827 -8.380 -3.246 457 HZ3 LYS 52 3HZ LYS 52 -14.991 -7.210 -3.531 458 H TRP 53 H TRP 53 -8.754 -5.997 -0.023 459 HA TRP 53 HA TRP 53 -9.760 -3.773 -1.471 460 HB2 TRP 53 2HB TRP 53 -9.470 -2.426 0.535 461 HB3 TRP 53 1HB TRP 53 -10.123 -3.992 0.975 462 HD1 TRP 53 HD TRP 53 -8.385 -5.673 2.375 463 HE1 TRP 53 1HE TRP 53 -6.422 -5.108 3.861 464 HE3 TRP 53 3HE TRP 53 -7.554 -0.854 0.862 465 HZ2 TRP 53 2HZ TRP 53 -4.708 -2.948 4.368 466 HZ3 TRP 53 3HZ TRP 53 -5.716 0.378 1.914 467 HH2 TRP 53 HH TRP 53 -4.322 -0.647 3.632 468 H VAL 54 H VAL 54 -6.598 -4.916 -0.790 469 HA VAL 54 HA VAL 54 -5.223 -2.540 -1.543 470 HB VAL 54 HB VAL 54 -4.231 -5.397 -1.232 471 HG11 VAL 54 1HG1 VAL 54 -2.608 -2.867 -1.576 472 HG12 VAL 54 2HG1 VAL 54 -2.738 -4.181 -2.740 473 HG13 VAL 54 3HG1 VAL 54 -1.960 -4.444 -1.174 474 HG21 VAL 54 1HG2 VAL 54 -3.965 -2.994 0.556 475 HG22 VAL 54 2HG2 VAL 54 -3.294 -4.597 0.861 476 HG23 VAL 54 3HG2 VAL 54 -5.041 -4.366 0.819 477 H GLN 55 H GLN 55 -6.176 -5.513 -3.146 478 HA GLN 55 HA GLN 55 -4.910 -5.196 -5.667 479 HB2 GLN 55 2HB GLN 55 -7.734 -6.222 -5.232 480 HB3 GLN 55 1HB GLN 55 -6.694 -6.572 -6.592 481 HG2 GLN 55 2HG GLN 55 -6.245 -7.476 -3.762 482 HG3 GLN 55 1HG GLN 55 -6.940 -8.449 -5.047 483 HE21 GLN 55 1HE2 GLN 55 -4.666 -8.920 -3.456 484 HE22 GLN 55 2HE2 GLN 55 -3.288 -9.053 -4.463 485 H LYS 56 H LYS 56 -8.016 -4.102 -4.463 486 HA LYS 56 HA LYS 56 -8.906 -2.798 -6.788 487 HB2 LYS 56 2HB LYS 56 -10.221 -3.722 -4.763 488 HB3 LYS 56 1HB LYS 56 -9.754 -2.259 -3.940 489 HG2 LYS 56 2HG LYS 56 -11.356 -2.363 -6.472 490 HG3 LYS 56 1HG LYS 56 -12.054 -2.307 -4.860 491 HD2 LYS 56 2HD LYS 56 -10.920 -0.185 -4.484 492 HD3 LYS 56 1HD LYS 56 -10.290 -0.250 -6.136 493 HE2 LYS 56 2HE LYS 56 -12.582 -0.268 -7.016 494 HE3 LYS 56 1HE LYS 56 -13.219 -0.208 -5.376 495 HZ1 LYS 56 1HZ LYS 56 -11.582 1.884 -6.687 496 HZ2 LYS 56 2HZ LYS 56 -12.177 1.941 -5.099 497 HZ3 LYS 56 3HZ LYS 56 -13.230 1.950 -6.412 498 H ALA 57 H ALA 57 -7.270 -1.673 -3.815 499 HA ALA 57 HA ALA 57 -7.265 1.072 -4.443 500 HB1 ALA 57 1HB ALA 57 -5.473 1.279 -2.782 501 HB2 ALA 57 2HB ALA 57 -5.285 -0.470 -2.726 502 HB3 ALA 57 3HB ALA 57 -6.794 0.291 -2.185 503 H MET 58 H MET 58 -4.843 -1.443 -5.011 504 HA MET 58 HA MET 58 -3.031 0.213 -6.236 505 HB2 MET 58 2HB MET 58 -3.383 -2.760 -6.427 506 HB3 MET 58 1HB MET 58 -2.076 -1.975 -7.280 507 HG2 MET 58 2HG MET 58 -1.417 -1.015 -4.997 508 HG3 MET 58 1HG MET 58 -2.539 -2.189 -4.321 509 HE1 MET 58 1HE MET 58 -0.821 -5.566 -5.400 510 HE2 MET 58 2HE MET 58 -2.076 -4.730 -6.326 511 HE3 MET 58 3HE MET 58 -2.207 -4.867 -4.565 512 H LYS 59 H LYS 59 -5.771 -1.505 -7.540 513 HA LYS 59 HA LYS 59 -5.292 -1.192 -10.245 514 HB2 LYS 59 2HB LYS 59 -7.042 -2.615 -9.267 515 HB3 LYS 59 1HB LYS 59 -7.878 -1.192 -8.679 516 HG2 LYS 59 2HG LYS 59 -8.292 -0.501 -10.981 517 HG3 LYS 59 1HG LYS 59 -7.453 -1.950 -11.552 518 HD2 LYS 59 2HD LYS 59 -9.086 -3.352 -10.363 519 HD3 LYS 59 1HD LYS 59 -9.936 -1.905 -9.829 520 HE2 LYS 59 2HE LYS 59 -11.061 -2.889 -11.737 521 HE3 LYS 59 1HE LYS 59 -10.381 -1.324 -12.171 522 HZ1 LYS 59 1HZ LYS 59 -9.175 -3.963 -12.799 523 HZ2 LYS 59 2HZ LYS 59 -8.509 -2.496 -13.221 524 HZ3 LYS 59 3HZ LYS 59 -9.977 -2.968 -13.887 525 H HIS 60 H HIS 60 -6.925 0.916 -7.908 526 HA HIS 60 HA HIS 60 -7.524 2.961 -9.767 527 HB2 HIS 60 2HB HIS 60 -8.864 2.747 -7.813 528 HB3 HIS 60 1HB HIS 60 -7.450 2.814 -6.773 529 HD1 HIS 60 1HD HIS 60 -9.392 5.109 -9.131 530 HD2 HIS 60 2HD HIS 60 -6.958 5.242 -5.793 531 HE1 HIS 60 1HE HIS 60 -9.416 7.511 -8.407 532 HE2 HIS 60 2HE HIS 60 -7.697 7.624 -6.561 533 H LEU 61 H LEU 61 -4.999 2.551 -7.341 534 HA LEU 61 HA LEU 61 -3.863 5.114 -7.755 535 HB2 LEU 61 2HB LEU 61 -2.748 2.677 -6.404 536 HB3 LEU 61 1HB LEU 61 -2.025 4.271 -6.331 537 HG LEU 61 HG LEU 61 -4.755 3.545 -5.265 538 HD11 LEU 61 1HD1 LEU 61 -2.155 4.026 -3.828 539 HD12 LEU 61 2HD1 LEU 61 -3.068 2.503 -3.930 540 HD13 LEU 61 3HD1 LEU 61 -3.740 3.878 -3.071 541 HD21 LEU 61 1HD2 LEU 61 -3.160 6.096 -5.040 542 HD22 LEU 61 2HD2 LEU 61 -4.673 5.757 -4.206 543 HD23 LEU 61 3HD2 LEU 61 -4.647 5.875 -5.965 544 H ASP 62 H ASP 62 -3.339 2.054 -9.348 545 HA ASP 62 HA ASP 62 -0.770 2.762 -10.424 546 HB2 ASP 62 2HB ASP 62 -1.546 0.418 -10.249 547 HB3 ASP 62 1HB ASP 62 -2.798 0.760 -11.432 548 H LYS 63 H LYS 63 -4.065 3.262 -11.286 549 HA LYS 63 HA LYS 63 -3.411 4.114 -13.950 550 HB2 LYS 63 2HB LYS 63 -6.076 3.980 -12.544 551 HB3 LYS 63 1HB LYS 63 -5.826 4.269 -14.261 552 HG2 LYS 63 2HG LYS 63 -4.886 2.053 -14.530 553 HG3 LYS 63 1HG LYS 63 -5.024 1.768 -12.795 554 HD2 LYS 63 2HD LYS 63 -7.493 2.090 -13.018 555 HD3 LYS 63 1HD LYS 63 -7.271 2.152 -14.769 556 HE2 LYS 63 2HE LYS 63 -6.529 -0.150 -12.967 557 HE3 LYS 63 1HE LYS 63 -7.945 -0.086 -14.001 558 HZ1 LYS 63 1HZ LYS 63 -5.128 -0.022 -14.943 559 HZ2 LYS 63 2HZ LYS 63 -6.464 0.050 -15.930 560 HZ3 LYS 63 3HZ LYS 63 -6.148 -1.353 -15.051 561 H LYS 64 H LYS 64 -3.267 5.469 -10.994 562 HA LYS 64 HA LYS 64 -3.463 8.097 -12.125 563 HB2 LYS 64 2HB LYS 64 -5.651 7.734 -11.020 564 HB3 LYS 64 1HB LYS 64 -4.829 7.325 -9.531 565 HG2 LYS 64 2HG LYS 64 -5.631 9.522 -9.236 566 HG3 LYS 64 1HG LYS 64 -3.909 9.685 -9.528 567 HD2 LYS 64 2HD LYS 64 -6.091 10.156 -11.594 568 HD3 LYS 64 1HD LYS 64 -5.305 11.420 -10.669 569 HE2 LYS 64 2HE LYS 64 -4.062 9.659 -12.815 570 HE3 LYS 64 1HE LYS 64 -4.419 11.349 -12.869 571 HZ1 LYS 64 1HZ LYS 64 -2.043 10.949 -12.438 572 HZ2 LYS 64 2HZ LYS 64 -2.417 10.224 -10.976 573 HZ3 LYS 64 3HZ LYS 64 -2.785 11.840 -11.215 Start of MODEL 13 1 H1 ALA 1 1HT ALA 1 17.101 6.721 7.749 2 H2 ALA 1 2HT ALA 1 16.172 6.647 6.323 3 H3 ALA 1 3HT ALA 1 17.842 6.697 6.226 4 HA ALA 1 HA ALA 1 18.027 4.553 7.216 5 HB1 ALA 1 1HB ALA 1 16.053 4.671 8.652 6 HB2 ALA 1 2HB ALA 1 15.989 3.245 7.617 7 HB3 ALA 1 3HB ALA 1 15.011 4.660 7.228 8 H ARG 2 H ARG 2 18.363 2.944 5.678 9 HA ARG 2 HA ARG 2 17.343 3.641 3.042 10 HB2 ARG 2 2HB ARG 2 18.980 2.106 2.094 11 HB3 ARG 2 1HB ARG 2 19.747 3.247 3.183 12 HG2 ARG 2 2HG ARG 2 19.892 1.531 4.897 13 HG3 ARG 2 1HG ARG 2 19.059 0.394 3.837 14 HD2 ARG 2 2HD ARG 2 21.464 0.018 3.747 15 HD3 ARG 2 1HD ARG 2 20.857 0.589 2.198 16 HE ARG 2 HE ARG 2 21.916 2.585 4.000 17 HH11 ARG 2 1HH1 ARG 2 22.543 0.470 1.231 18 HH12 ARG 2 2HH1 ARG 2 23.864 1.367 0.651 19 HH21 ARG 2 1HH2 ARG 2 23.777 3.822 3.204 20 HH22 ARG 2 2HH2 ARG 2 24.591 3.296 1.802 21 H LYS 3 H LYS 3 16.280 1.745 5.469 22 HA LYS 3 HA LYS 3 15.287 -0.333 3.714 23 HB2 LYS 3 2HB LYS 3 14.833 0.072 6.676 24 HB3 LYS 3 1HB LYS 3 14.040 -1.173 5.744 25 HG2 LYS 3 2HG LYS 3 15.826 -2.202 6.905 26 HG3 LYS 3 1HG LYS 3 16.318 -2.095 5.224 27 HD2 LYS 3 2HD LYS 3 17.698 -0.150 5.743 28 HD3 LYS 3 1HD LYS 3 17.155 -0.217 7.423 29 HE2 LYS 3 2HE LYS 3 18.111 -2.477 7.618 30 HE3 LYS 3 1HE LYS 3 18.708 -2.348 5.970 31 HZ1 LYS 3 1HZ LYS 3 19.493 -0.645 8.261 32 HZ2 LYS 3 2HZ LYS 3 20.070 -0.438 6.697 33 HZ3 LYS 3 3HZ LYS 3 20.422 -1.848 7.550 34 H SER 4 H SER 4 13.698 0.150 2.461 35 HA SER 4 HA SER 4 11.507 1.820 3.458 36 HB2 SER 4 2HB SER 4 12.543 2.442 1.259 37 HB3 SER 4 1HB SER 4 12.173 0.830 0.652 38 HG SER 4 HG SER 4 9.989 1.297 1.065 39 H CYS 5 H CYS 5 11.808 -0.575 4.641 40 HA CYS 5 HA CYS 5 10.068 -2.490 3.250 41 HB2 CYS 5 2HB CYS 5 12.154 -3.030 5.360 42 HB3 CYS 5 1HB CYS 5 11.219 -4.218 4.467 43 H CYS 6 H CYS 6 8.479 -3.434 4.432 44 HA CYS 6 HA CYS 6 8.005 -2.532 7.153 45 HB2 CYS 6 2HB CYS 6 6.219 -3.468 4.948 46 HB3 CYS 6 1HB CYS 6 5.651 -3.204 6.597 47 H LEU 7 H LEU 7 7.457 -4.119 8.580 48 HA LEU 7 HA LEU 7 8.144 -6.873 7.821 49 HB2 LEU 7 2HB LEU 7 8.219 -5.492 10.516 50 HB3 LEU 7 1HB LEU 7 8.504 -7.195 10.282 51 HG LEU 7 HG LEU 7 10.572 -6.644 8.994 52 HD11 LEU 7 1HD1 LEU 7 11.505 -4.396 9.077 53 HD12 LEU 7 2HD1 LEU 7 10.025 -3.801 9.832 54 HD13 LEU 7 3HD1 LEU 7 9.988 -4.421 8.180 55 HD21 LEU 7 1HD2 LEU 7 10.691 -7.149 11.352 56 HD22 LEU 7 2HD2 LEU 7 10.395 -5.457 11.748 57 HD23 LEU 7 3HD2 LEU 7 11.883 -5.920 10.930 58 H LYS 8 H LYS 8 5.625 -4.813 8.660 59 HA LYS 8 HA LYS 8 3.887 -7.063 9.346 60 HB2 LYS 8 2HB LYS 8 3.887 -4.315 10.594 61 HB3 LYS 8 1HB LYS 8 2.700 -5.568 10.910 62 HG2 LYS 8 2HG LYS 8 4.449 -6.970 11.894 63 HG3 LYS 8 1HG LYS 8 5.642 -5.718 11.554 64 HD2 LYS 8 2HD LYS 8 3.245 -5.422 13.375 65 HD3 LYS 8 1HD LYS 8 4.905 -5.685 13.902 66 HE2 LYS 8 2HE LYS 8 3.863 -3.276 12.394 67 HE3 LYS 8 1HE LYS 8 4.286 -3.343 14.098 68 HZ1 LYS 8 1HZ LYS 8 6.079 -2.355 12.894 69 HZ2 LYS 8 2HZ LYS 8 6.170 -3.612 11.800 70 HZ3 LYS 8 3HZ LYS 8 6.601 -3.860 13.415 71 H TYR 9 H TYR 9 1.712 -6.702 8.708 72 HA TYR 9 HA TYR 9 1.300 -4.570 6.728 73 HB2 TYR 9 2HB TYR 9 -0.477 -7.080 6.934 74 HB3 TYR 9 1HB TYR 9 -0.301 -5.911 5.690 75 HD1 TYR 9 1HD TYR 9 1.384 -6.007 4.080 76 HD2 TYR 9 2HD TYR 9 1.224 -8.896 7.159 77 HE1 TYR 9 1HE TYR 9 2.893 -7.465 2.782 78 HE2 TYR 9 2HE TYR 9 2.733 -10.368 5.878 79 HH TYR 9 HH TYR 9 4.438 -9.251 3.164 80 H THR 10 H THR 10 -0.696 -3.370 6.984 81 HA THR 10 HA THR 10 -1.522 -3.110 9.653 82 HB THR 10 HB THR 10 -1.525 -1.145 8.195 83 HG1 THR 10 1HG THR 10 -4.220 -1.084 8.456 84 HG21 THR 10 1HG2 THR 10 -3.182 -0.846 6.398 85 HG22 THR 10 2HG2 THR 10 -3.728 -2.509 6.632 86 HG23 THR 10 3HG2 THR 10 -2.083 -2.180 6.069 87 H LYS 11 H LYS 11 -3.359 -3.831 10.673 88 HA LYS 11 HA LYS 11 -4.739 -6.030 9.369 89 HB2 LYS 11 2HB LYS 11 -3.827 -6.292 11.670 90 HB3 LYS 11 1HB LYS 11 -4.909 -5.027 12.226 91 HG2 LYS 11 2HG LYS 11 -6.831 -6.428 11.680 92 HG3 LYS 11 1HG LYS 11 -5.751 -7.686 11.079 93 HD2 LYS 11 2HD LYS 11 -4.739 -7.857 13.318 94 HD3 LYS 11 1HD LYS 11 -5.861 -6.630 13.904 95 HE2 LYS 11 2HE LYS 11 -6.624 -9.306 12.750 96 HE3 LYS 11 1HE LYS 11 -6.586 -8.917 14.461 97 HZ1 LYS 11 1HZ LYS 11 -8.817 -8.784 13.591 98 HZ2 LYS 11 2HZ LYS 11 -8.385 -7.633 12.447 99 HZ3 LYS 11 3HZ LYS 11 -8.330 -7.277 14.095 100 H ARG 12 H ARG 12 -5.115 -2.767 10.036 101 HA ARG 12 HA ARG 12 -8.019 -2.900 9.690 102 HB2 ARG 12 2HB ARG 12 -7.214 -1.625 11.634 103 HB3 ARG 12 1HB ARG 12 -6.267 -0.598 10.570 104 HG2 ARG 12 2HG ARG 12 -8.329 0.194 9.511 105 HG3 ARG 12 1HG ARG 12 -9.266 -0.832 10.594 106 HD2 ARG 12 2HD ARG 12 -8.381 0.388 12.517 107 HD3 ARG 12 1HD ARG 12 -7.440 1.416 11.434 108 HE ARG 12 HE ARG 12 -10.172 1.436 10.724 109 HH11 ARG 12 1HH1 ARG 12 -7.949 2.797 13.104 110 HH12 ARG 12 2HH1 ARG 12 -8.898 4.177 13.410 111 HH21 ARG 12 1HH2 ARG 12 -11.455 3.300 11.122 112 HH22 ARG 12 2HH2 ARG 12 -10.951 4.476 12.243 113 HA PRO 13 HA PRO 13 -7.242 -1.837 5.362 114 HB2 PRO 13 2HB PRO 13 -10.173 -1.336 5.517 115 HB3 PRO 13 1HB PRO 13 -9.259 -2.304 4.356 116 HG2 PRO 13 2HG PRO 13 -10.692 -3.489 6.245 117 HG3 PRO 13 1HG PRO 13 -9.096 -4.114 5.795 118 HD2 PRO 13 2HD PRO 13 -9.885 -2.506 8.193 119 HD3 PRO 13 1HD PRO 13 -8.747 -3.871 8.037 120 H LEU 14 H LEU 14 -6.798 0.077 4.477 121 HA LEU 14 HA LEU 14 -7.519 2.570 5.798 122 HB2 LEU 14 2HB LEU 14 -5.152 2.010 5.117 123 HB3 LEU 14 1HB LEU 14 -5.691 1.982 3.461 124 HG LEU 14 HG LEU 14 -6.223 4.389 3.630 125 HD11 LEU 14 1HD1 LEU 14 -5.306 5.658 5.509 126 HD12 LEU 14 2HD1 LEU 14 -4.863 4.157 6.311 127 HD13 LEU 14 3HD1 LEU 14 -6.566 4.551 6.053 128 HD21 LEU 14 1HD2 LEU 14 -3.406 3.581 4.317 129 HD22 LEU 14 2HD2 LEU 14 -3.891 5.107 3.570 130 HD23 LEU 14 3HD2 LEU 14 -4.123 3.584 2.709 131 HA PRO 15 HA PRO 15 -10.644 3.124 2.557 132 HB2 PRO 15 2HB PRO 15 -10.567 5.993 3.228 133 HB3 PRO 15 1HB PRO 15 -11.922 4.867 3.332 134 HG2 PRO 15 2HG PRO 15 -10.716 5.810 5.531 135 HG3 PRO 15 1HG PRO 15 -11.335 4.152 5.452 136 HD2 PRO 15 2HD PRO 15 -8.519 5.131 5.174 137 HD3 PRO 15 1HD PRO 15 -9.151 3.712 6.044 138 H LEU 16 H LEU 16 -10.409 3.518 0.464 139 HA LEU 16 HA LEU 16 -7.965 4.371 -0.623 140 HB2 LEU 16 2HB LEU 16 -9.234 2.751 -1.744 141 HB3 LEU 16 1HB LEU 16 -10.624 3.855 -1.907 142 HG LEU 16 HG LEU 16 -9.067 5.195 -3.368 143 HD11 LEU 16 1HD1 LEU 16 -7.179 3.881 -4.342 144 HD12 LEU 16 2HD1 LEU 16 -7.440 2.693 -3.083 145 HD13 LEU 16 3HD1 LEU 16 -6.962 4.320 -2.636 146 HD21 LEU 16 1HD2 LEU 16 -9.815 2.404 -4.134 147 HD22 LEU 16 2HD2 LEU 16 -9.458 3.749 -5.255 148 HD23 LEU 16 3HD2 LEU 16 -10.836 3.858 -4.154 149 H LYS 17 H LYS 17 -10.904 6.016 -0.052 150 HA LYS 17 HA LYS 17 -10.457 8.295 -1.650 151 HB2 LYS 17 2HB LYS 17 -12.070 8.029 0.888 152 HB3 LYS 17 1HB LYS 17 -12.119 9.415 -0.191 153 HG2 LYS 17 2HG LYS 17 -12.913 6.600 -0.923 154 HG3 LYS 17 1HG LYS 17 -14.020 7.917 -0.541 155 HD2 LYS 17 2HD LYS 17 -13.160 9.180 -2.461 156 HD3 LYS 17 1HD LYS 17 -12.065 7.851 -2.847 157 HE2 LYS 17 2HE LYS 17 -13.978 6.370 -3.189 158 HE3 LYS 17 1HE LYS 17 -15.074 7.686 -2.782 159 HZ1 LYS 17 1HZ LYS 17 -13.227 7.616 -5.112 160 HZ2 LYS 17 2HZ LYS 17 -14.246 8.904 -4.720 161 HZ3 LYS 17 3HZ LYS 17 -14.894 7.412 -5.161 162 H ARG 18 H ARG 18 -8.775 7.230 0.931 163 HA ARG 18 HA ARG 18 -7.794 9.952 1.583 164 HB2 ARG 18 2HB ARG 18 -7.990 7.541 3.383 165 HB3 ARG 18 1HB ARG 18 -7.131 9.019 3.820 166 HG2 ARG 18 2HG ARG 18 -9.194 10.275 3.672 167 HG3 ARG 18 1HG ARG 18 -10.042 8.829 3.118 168 HD2 ARG 18 2HD ARG 18 -10.454 9.293 5.496 169 HD3 ARG 18 1HD ARG 18 -9.650 7.754 5.231 170 HE ARG 18 HE ARG 18 -7.574 8.839 5.913 171 HH11 ARG 18 1HH1 ARG 18 -10.554 10.509 6.811 172 HH12 ARG 18 2HH1 ARG 18 -9.935 11.130 8.272 173 HH21 ARG 18 1HH2 ARG 18 -6.739 9.665 7.926 174 HH22 ARG 18 2HH2 ARG 18 -7.702 10.650 8.915 175 H ILE 19 H ILE 19 -6.959 7.592 -0.291 176 HA ILE 19 HA ILE 19 -4.143 7.408 0.567 177 HB ILE 19 HB ILE 19 -5.558 5.643 -1.469 178 HG12 ILE 19 2HG1 ILE 19 -4.811 4.986 1.347 179 HG13 ILE 19 1HG1 ILE 19 -6.465 5.385 0.914 180 HG21 ILE 19 1HG2 ILE 19 -2.913 5.342 -0.014 181 HG22 ILE 19 2HG2 ILE 19 -3.100 5.738 -1.723 182 HG23 ILE 19 3HG2 ILE 19 -3.603 4.161 -1.113 183 HD11 ILE 19 1HD1 ILE 19 -6.416 3.408 -0.655 184 HD12 ILE 19 2HD1 ILE 19 -6.197 2.980 1.054 185 HD13 ILE 19 3HD1 ILE 19 -4.832 3.059 -0.051 186 H LYS 20 H LYS 20 -2.636 8.245 -0.731 187 HA LYS 20 HA LYS 20 -3.501 9.594 -3.154 188 HB2 LYS 20 2HB LYS 20 -0.868 9.755 -1.677 189 HB3 LYS 20 1HB LYS 20 -1.290 10.727 -3.063 190 HG2 LYS 20 2HG LYS 20 -2.513 10.787 -0.368 191 HG3 LYS 20 1HG LYS 20 -1.558 12.043 -1.168 192 HD2 LYS 20 2HD LYS 20 -4.269 11.030 -1.857 193 HD3 LYS 20 1HD LYS 20 -3.877 12.621 -1.232 194 HE2 LYS 20 2HE LYS 20 -2.592 13.177 -3.231 195 HE3 LYS 20 1HE LYS 20 -2.979 11.611 -3.946 196 HZ1 LYS 20 1HZ LYS 20 -4.889 13.792 -3.296 197 HZ2 LYS 20 2HZ LYS 20 -5.336 12.297 -3.921 198 HZ3 LYS 20 3HZ LYS 20 -4.403 13.335 -4.838 199 H SER 21 H SER 21 -1.084 7.168 -2.132 200 HA SER 21 HA SER 21 -0.888 6.017 -4.729 201 HB2 SER 21 2HB SER 21 1.478 7.647 -3.704 202 HB3 SER 21 1HB SER 21 1.506 6.574 -5.091 203 HG SER 21 HG SER 21 1.256 8.583 -5.867 204 H TYR 22 H TYR 22 1.014 4.313 -4.611 205 HA TYR 22 HA TYR 22 1.618 3.629 -1.824 206 HB2 TYR 22 2HB TYR 22 1.338 1.283 -2.303 207 HB3 TYR 22 1HB TYR 22 -0.166 2.128 -2.587 208 HD1 TYR 22 1HD TYR 22 -1.273 1.806 -4.577 209 HD2 TYR 22 2HD TYR 22 2.801 0.702 -4.374 210 HE1 TYR 22 1HE TYR 22 -1.472 0.696 -6.768 211 HE2 TYR 22 2HE TYR 22 2.640 -0.395 -6.568 212 HH TYR 22 HH TYR 22 0.016 0.060 -8.630 213 H THR 23 H THR 23 3.351 2.154 -1.641 214 HA THR 23 HA THR 23 5.458 2.667 -3.618 215 HB THR 23 HB THR 23 5.672 2.181 -0.644 216 HG1 THR 23 1HG THR 23 5.998 4.572 -2.151 217 HG21 THR 23 1HG2 THR 23 7.619 1.396 -1.865 218 HG22 THR 23 2HG2 THR 23 8.041 2.836 -0.932 219 HG23 THR 23 3HG2 THR 23 7.775 2.951 -2.676 220 H ILE 24 H ILE 24 6.368 0.846 -4.448 221 HA ILE 24 HA ILE 24 5.371 -1.718 -3.588 222 HB ILE 24 HB ILE 24 7.289 -1.021 -5.837 223 HG12 ILE 24 2HG1 ILE 24 4.354 -1.760 -5.909 224 HG13 ILE 24 1HG1 ILE 24 5.005 -0.149 -6.177 225 HG21 ILE 24 1HG2 ILE 24 5.922 -3.649 -5.205 226 HG22 ILE 24 2HG2 ILE 24 7.647 -3.313 -5.052 227 HG23 ILE 24 3HG2 ILE 24 6.886 -3.320 -6.643 228 HD11 ILE 24 1HD1 ILE 24 5.517 -2.568 -7.894 229 HD12 ILE 24 2HD1 ILE 24 6.139 -0.939 -8.190 230 HD13 ILE 24 3HD1 ILE 24 4.403 -1.256 -8.258 231 H GLN 25 H GLN 25 6.324 -2.698 -1.956 232 HA GLN 25 HA GLN 25 9.137 -2.284 -1.435 233 HB2 GLN 25 2HB GLN 25 7.889 -2.269 0.517 234 HB3 GLN 25 1HB GLN 25 6.874 -3.608 0.073 235 HG2 GLN 25 2HG GLN 25 8.739 -5.126 0.457 236 HG3 GLN 25 1HG GLN 25 9.760 -3.749 0.887 237 HE21 GLN 25 1HE2 GLN 25 8.716 -6.106 2.502 238 HE22 GLN 25 2HE2 GLN 25 8.029 -5.369 3.886 239 H SER 26 H SER 26 10.546 -3.442 -2.419 240 HA SER 26 HA SER 26 9.786 -5.896 -3.621 241 HB2 SER 26 2HB SER 26 12.230 -5.738 -4.436 242 HB3 SER 26 1HB SER 26 11.091 -4.526 -5.018 243 HG SER 26 HG SER 26 12.377 -3.128 -4.239 244 H ASN 27 H ASN 27 10.242 -7.825 -2.859 245 HA ASN 27 HA ASN 27 11.249 -7.941 -0.165 246 HB2 ASN 27 2HB ASN 27 10.308 -10.175 -0.080 247 HB3 ASN 27 1HB ASN 27 9.134 -8.974 -0.575 248 HD21 ASN 27 1HD2 ASN 27 8.988 -11.672 -0.881 249 HD22 ASN 27 2HD2 ASN 27 8.969 -12.022 -2.585 250 H GLU 28 H GLU 28 12.907 -7.796 -2.723 251 HA GLU 28 HA GLU 28 14.624 -10.061 -2.522 252 HB2 GLU 28 2HB GLU 28 15.303 -7.300 -3.572 253 HB3 GLU 28 1HB GLU 28 16.142 -8.798 -3.904 254 HG2 GLU 28 2HG GLU 28 13.335 -8.155 -4.759 255 HG3 GLU 28 1HG GLU 28 14.771 -8.089 -5.772 256 H ALA 29 H ALA 29 14.674 -6.722 -1.353 257 HA ALA 29 HA ALA 29 16.897 -7.296 0.470 258 HB1 ALA 29 1HB ALA 29 16.997 -4.888 0.815 259 HB2 ALA 29 2HB ALA 29 15.542 -4.677 -0.157 260 HB3 ALA 29 3HB ALA 29 17.024 -5.258 -0.910 261 H CYS 30 H CYS 30 13.508 -6.906 0.447 262 HA CYS 30 HA CYS 30 13.452 -6.398 3.343 263 HB2 CYS 30 2HB CYS 30 11.159 -6.408 1.375 264 HB3 CYS 30 1HB CYS 30 11.143 -5.833 3.027 265 H ASN 31 H ASN 31 12.403 -7.844 4.689 266 HA ASN 31 HA ASN 31 12.566 -10.567 4.108 267 HB2 ASN 31 2HB ASN 31 10.815 -9.248 6.194 268 HB3 ASN 31 1HB ASN 31 11.114 -10.975 6.103 269 HD21 ASN 31 1HD2 ASN 31 12.398 -7.869 6.992 270 HD22 ASN 31 2HD2 ASN 31 13.814 -8.484 7.745 271 H ILE 32 H ILE 32 9.776 -8.450 3.919 272 HA ILE 32 HA ILE 32 8.320 -10.614 2.554 273 HB ILE 32 HB ILE 32 6.237 -9.822 3.542 274 HG12 ILE 32 2HG1 ILE 32 7.946 -7.779 4.998 275 HG13 ILE 32 1HG1 ILE 32 6.827 -7.425 3.694 276 HG21 ILE 32 1HG2 ILE 32 8.369 -10.066 5.591 277 HG22 ILE 32 2HG2 ILE 32 7.598 -11.450 4.796 278 HG23 ILE 32 3HG2 ILE 32 6.652 -10.387 5.878 279 HD11 ILE 32 1HD1 ILE 32 6.096 -8.518 6.400 280 HD12 ILE 32 2HD1 ILE 32 4.965 -8.147 5.099 281 HD13 ILE 32 3HD1 ILE 32 5.891 -6.851 5.857 282 H LYS 33 H LYS 33 6.508 -9.675 1.231 283 HA LYS 33 HA LYS 33 7.348 -7.184 0.067 284 HB2 LYS 33 2HB LYS 33 6.975 -9.000 -1.537 285 HB3 LYS 33 1HB LYS 33 5.338 -9.225 -0.929 286 HG2 LYS 33 2HG LYS 33 4.745 -6.965 -1.688 287 HG3 LYS 33 1HG LYS 33 6.373 -6.757 -2.319 288 HD2 LYS 33 2HD LYS 33 6.008 -8.649 -3.852 289 HD3 LYS 33 1HD LYS 33 4.372 -8.829 -3.215 290 HE2 LYS 33 2HE LYS 33 3.817 -6.568 -3.980 291 HE3 LYS 33 1HE LYS 33 5.451 -6.377 -4.607 292 HZ1 LYS 33 1HZ LYS 33 3.461 -8.373 -5.548 293 HZ2 LYS 33 2HZ LYS 33 5.026 -8.174 -6.160 294 HZ3 LYS 33 3HZ LYS 33 3.876 -6.957 -6.341 295 H ALA 34 H ALA 34 6.201 -5.419 0.840 296 HA ALA 34 HA ALA 34 3.400 -5.776 1.549 297 HB1 ALA 34 1HB ALA 34 4.650 -5.823 3.688 298 HB2 ALA 34 2HB ALA 34 3.719 -4.351 3.561 299 HB3 ALA 34 3HB ALA 34 5.450 -4.319 3.255 300 H ILE 35 H ILE 35 2.262 -4.329 0.412 301 HA ILE 35 HA ILE 35 3.674 -2.222 -0.952 302 HB ILE 35 HB ILE 35 0.741 -2.975 -0.909 303 HG12 ILE 35 2HG1 ILE 35 2.223 -4.616 -1.894 304 HG13 ILE 35 1HG1 ILE 35 1.193 -3.907 -3.148 305 HG21 ILE 35 1HG2 ILE 35 0.481 -1.473 -2.853 306 HG22 ILE 35 2HG2 ILE 35 2.146 -0.951 -2.661 307 HG23 ILE 35 3HG2 ILE 35 0.970 -0.590 -1.412 308 HD11 ILE 35 1HD1 ILE 35 3.427 -4.241 -3.943 309 HD12 ILE 35 2HD1 ILE 35 4.099 -3.370 -2.572 310 HD13 ILE 35 3HD1 ILE 35 3.150 -2.502 -3.786 311 H ILE 36 H ILE 36 3.852 -0.166 -0.318 312 HA ILE 36 HA ILE 36 2.621 0.355 2.262 313 HB ILE 36 HB ILE 36 4.862 1.977 1.010 314 HG12 ILE 36 2HG1 ILE 36 6.272 0.878 2.882 315 HG13 ILE 36 1HG1 ILE 36 5.019 -0.354 2.900 316 HG21 ILE 36 1HG2 ILE 36 3.606 3.192 2.609 317 HG22 ILE 36 2HG2 ILE 36 5.215 2.773 3.210 318 HG23 ILE 36 3HG2 ILE 36 3.799 1.871 3.781 319 HD11 ILE 36 1HD1 ILE 36 5.500 -0.840 0.585 320 HD12 ILE 36 2HD1 ILE 36 6.923 -0.989 1.627 321 HD13 ILE 36 3HD1 ILE 36 6.726 0.442 0.599 322 H PHE 37 H PHE 37 0.890 1.379 2.196 323 HA PHE 37 HA PHE 37 0.013 3.046 0.022 324 HB2 PHE 37 2HB PHE 37 -1.086 2.004 2.586 325 HB3 PHE 37 1HB PHE 37 -1.919 3.322 1.744 326 HD1 PHE 37 1HD PHE 37 -0.157 0.545 0.152 327 HD2 PHE 37 2HD PHE 37 -3.850 2.172 1.249 328 HE1 PHE 37 1HE PHE 37 -1.336 -1.115 -1.338 329 HE2 PHE 37 2HE PHE 37 -5.031 0.570 -0.193 330 HZ PHE 37 HZ PHE 37 -3.780 -1.060 -1.477 331 H THR 38 H THR 38 -0.021 5.165 0.011 332 HA THR 38 HA THR 38 0.848 6.474 2.474 333 HB THR 38 HB THR 38 1.288 7.457 -0.368 334 HG1 THR 38 1HG THR 38 2.395 5.501 0.810 335 HG21 THR 38 1HG2 THR 38 1.210 9.202 1.310 336 HG22 THR 38 2HG2 THR 38 2.890 8.988 0.777 337 HG23 THR 38 3HG2 THR 38 2.337 8.325 2.326 338 H THR 39 H THR 39 -0.481 8.033 3.255 339 HA THR 39 HA THR 39 -3.046 8.286 1.955 340 HB THR 39 HB THR 39 -3.626 9.526 4.063 341 HG1 THR 39 1HG THR 39 -2.094 8.979 5.800 342 HG21 THR 39 1HG2 THR 39 -4.208 7.203 3.802 343 HG22 THR 39 2HG2 THR 39 -3.628 7.455 5.459 344 HG23 THR 39 3HG2 THR 39 -2.581 6.719 4.254 345 H LYS 40 H LYS 40 -4.053 10.569 2.250 346 HA LYS 40 HA LYS 40 -2.469 12.419 0.823 347 HB2 LYS 40 2HB LYS 40 -4.802 13.133 2.543 348 HB3 LYS 40 1HB LYS 40 -4.296 13.954 1.070 349 HG2 LYS 40 2HG LYS 40 -4.926 11.516 0.001 350 HG3 LYS 40 1HG LYS 40 -5.847 11.468 1.460 351 HD2 LYS 40 2HD LYS 40 -7.036 13.492 0.938 352 HD3 LYS 40 1HD LYS 40 -6.020 13.682 -0.510 353 HE2 LYS 40 2HE LYS 40 -6.864 11.637 -1.429 354 HE3 LYS 40 1HE LYS 40 -7.833 11.347 -0.003 355 HZ1 LYS 40 1HZ LYS 40 -9.135 13.338 -0.505 356 HZ2 LYS 40 2HZ LYS 40 -9.176 12.241 -1.767 357 HZ3 LYS 40 3HZ LYS 40 -8.224 13.621 -1.900 358 H LYS 41 H LYS 41 -2.782 11.624 4.126 359 HA LYS 41 HA LYS 41 -1.578 14.003 5.198 360 HB2 LYS 41 2HB LYS 41 -1.950 11.235 6.361 361 HB3 LYS 41 1HB LYS 41 -1.155 12.524 7.228 362 HG2 LYS 41 2HG LYS 41 -3.404 12.295 8.036 363 HG3 LYS 41 1HG LYS 41 -3.275 13.810 7.151 364 HD2 LYS 41 2HD LYS 41 -4.397 12.815 5.252 365 HD3 LYS 41 1HD LYS 41 -4.431 11.245 6.058 366 HE2 LYS 41 2HE LYS 41 -6.599 12.354 6.279 367 HE3 LYS 41 1HE LYS 41 -5.811 12.176 7.837 368 HZ1 LYS 41 1HZ LYS 41 -5.134 14.507 7.720 369 HZ2 LYS 41 2HZ LYS 41 -6.798 14.349 7.603 370 HZ3 LYS 41 3HZ LYS 41 -5.905 14.687 6.231 371 H GLY 42 H GLY 42 -0.559 11.383 3.421 372 HA2 GLY 42 2HA GLY 42 1.466 10.988 2.515 373 HA3 GLY 42 1HA GLY 42 2.135 12.254 3.506 374 H ARG 43 H ARG 43 0.418 9.822 5.262 375 HA ARG 43 HA ARG 43 2.797 8.941 6.524 376 HB2 ARG 43 2HB ARG 43 0.645 9.249 7.693 377 HB3 ARG 43 1HB ARG 43 -0.028 7.971 6.679 378 HG2 ARG 43 2HG ARG 43 1.522 6.398 7.550 379 HG3 ARG 43 1HG ARG 43 2.265 7.649 8.555 380 HD2 ARG 43 2HD ARG 43 0.161 7.866 9.806 381 HD3 ARG 43 1HD ARG 43 -0.574 6.614 8.799 382 HE ARG 43 HE ARG 43 1.812 5.675 9.961 383 HH11 ARG 43 1HH1 ARG 43 -1.548 6.377 10.863 384 HH12 ARG 43 2HH1 ARG 43 -1.588 5.244 12.130 385 HH21 ARG 43 1HH2 ARG 43 1.739 4.110 11.731 386 HH22 ARG 43 2HH2 ARG 43 0.307 3.935 12.617 387 H LYS 44 H LYS 44 3.575 6.784 6.511 388 HA LYS 44 HA LYS 44 2.966 5.279 4.107 389 HB2 LYS 44 2HB LYS 44 5.225 5.127 6.104 390 HB3 LYS 44 1HB LYS 44 5.030 3.984 4.790 391 HG2 LYS 44 2HG LYS 44 5.436 6.960 4.472 392 HG3 LYS 44 1HG LYS 44 6.680 5.728 4.255 393 HD2 LYS 44 2HD LYS 44 5.357 4.734 2.428 394 HD3 LYS 44 1HD LYS 44 4.135 5.984 2.636 395 HE2 LYS 44 2HE LYS 44 5.786 7.684 2.040 396 HE3 LYS 44 1HE LYS 44 7.006 6.419 1.851 397 HZ1 LYS 44 1HZ LYS 44 4.501 6.614 0.258 398 HZ2 LYS 44 2HZ LYS 44 5.735 5.475 0.035 399 HZ3 LYS 44 3HZ LYS 44 6.027 7.078 -0.278 400 H ILE 45 H ILE 45 1.471 3.797 4.243 401 HA ILE 45 HA ILE 45 0.982 2.383 6.764 402 HB ILE 45 HB ILE 45 -0.817 2.721 4.341 403 HG12 ILE 45 2HG1 ILE 45 -2.355 3.923 6.094 404 HG13 ILE 45 1HG1 ILE 45 -0.891 3.998 7.061 405 HG21 ILE 45 1HG2 ILE 45 -1.391 1.289 6.920 406 HG22 ILE 45 2HG2 ILE 45 -1.213 0.573 5.319 407 HG23 ILE 45 3HG2 ILE 45 -2.581 1.629 5.664 408 HD11 ILE 45 1HD1 ILE 45 -1.344 6.051 5.897 409 HD12 ILE 45 2HD1 ILE 45 -1.213 5.198 4.354 410 HD13 ILE 45 3HD1 ILE 45 0.195 5.336 5.408 411 H CYS 46 H CYS 46 1.734 0.413 6.776 412 HA CYS 46 HA CYS 46 2.668 -0.900 4.362 413 HB2 CYS 46 2HB CYS 46 2.593 -1.841 7.224 414 HB3 CYS 46 1HB CYS 46 3.514 -2.615 5.949 415 H ALA 47 H ALA 47 1.150 -1.896 3.066 416 HA ALA 47 HA ALA 47 -0.997 -3.222 4.505 417 HB1 ALA 47 1HB ALA 47 -1.077 -1.964 1.771 418 HB2 ALA 47 2HB ALA 47 -1.761 -1.274 3.241 419 HB3 ALA 47 3HB ALA 47 -2.417 -2.772 2.581 420 H ASN 48 H ASN 48 -1.594 -5.187 3.877 421 HA ASN 48 HA ASN 48 0.298 -6.842 2.653 422 HB2 ASN 48 2HB ASN 48 -0.890 -7.758 4.402 423 HB3 ASN 48 1HB ASN 48 -2.459 -7.295 3.830 424 HD21 ASN 48 1HD2 ASN 48 0.170 -8.849 2.072 425 HD22 ASN 48 2HD2 ASN 48 -0.718 -10.313 1.759 426 HA PRO 49 HA PRO 49 -1.012 -5.922 -1.526 427 HB2 PRO 49 2HB PRO 49 0.663 -7.814 -2.635 428 HB3 PRO 49 1HB PRO 49 1.102 -6.140 -2.326 429 HG2 PRO 49 2HG PRO 49 1.685 -8.593 -0.771 430 HG3 PRO 49 1HG PRO 49 2.686 -7.153 -1.009 431 HD2 PRO 49 2HD PRO 49 1.385 -7.618 1.276 432 HD3 PRO 49 1HD PRO 49 1.604 -5.977 0.656 433 H ASN 50 H ASN 50 -1.033 -8.944 0.126 434 HA ASN 50 HA ASN 50 -2.510 -10.157 -1.979 435 HB2 ASN 50 2HB ASN 50 -1.685 -11.344 0.670 436 HB3 ASN 50 1HB ASN 50 -2.725 -12.153 -0.500 437 HD21 ASN 50 1HD2 ASN 50 0.547 -11.084 0.137 438 HD22 ASN 50 2HD2 ASN 50 1.271 -11.934 -1.154 439 H GLU 51 H GLU 51 -3.414 -7.953 0.194 440 HA GLU 51 HA GLU 51 -5.918 -9.223 0.824 441 HB2 GLU 51 2HB GLU 51 -5.150 -6.358 1.350 442 HB3 GLU 51 1HB GLU 51 -6.627 -7.138 1.888 443 HG2 GLU 51 2HG GLU 51 -4.934 -8.799 3.042 444 HG3 GLU 51 1HG GLU 51 -3.857 -7.457 2.756 445 H LYS 52 H LYS 52 -7.760 -8.962 -0.052 446 HA LYS 52 HA LYS 52 -7.944 -8.341 -2.742 447 HB2 LYS 52 2HB LYS 52 -9.415 -9.889 -1.559 448 HB3 LYS 52 1HB LYS 52 -10.136 -8.550 -0.686 449 HG2 LYS 52 2HG LYS 52 -11.071 -7.685 -2.748 450 HG3 LYS 52 1HG LYS 52 -10.295 -8.980 -3.665 451 HD2 LYS 52 2HD LYS 52 -11.540 -10.635 -2.421 452 HD3 LYS 52 1HD LYS 52 -12.317 -9.379 -1.461 453 HE2 LYS 52 2HE LYS 52 -13.329 -8.492 -3.530 454 HE3 LYS 52 1HE LYS 52 -12.570 -9.799 -4.437 455 HZ1 LYS 52 1HZ LYS 52 -14.586 -10.111 -2.280 456 HZ2 LYS 52 2HZ LYS 52 -13.817 -11.383 -3.078 457 HZ3 LYS 52 3HZ LYS 52 -14.855 -10.356 -3.920 458 H TRP 53 H TRP 53 -8.628 -6.261 0.067 459 HA TRP 53 HA TRP 53 -9.875 -4.222 -1.489 460 HB2 TRP 53 2HB TRP 53 -9.767 -2.777 0.462 461 HB3 TRP 53 1HB TRP 53 -10.190 -4.390 1.004 462 HD1 TRP 53 HD TRP 53 -8.274 -5.696 2.445 463 HE1 TRP 53 1HE TRP 53 -6.307 -4.805 3.831 464 HE3 TRP 53 3HE TRP 53 -8.035 -0.946 0.597 465 HZ2 TRP 53 2HZ TRP 53 -4.858 -2.452 4.124 466 HZ3 TRP 53 3HZ TRP 53 -6.314 0.562 1.499 467 HH2 TRP 53 HH TRP 53 -4.763 -0.177 3.221 468 H VAL 54 H VAL 54 -6.617 -5.017 -0.746 469 HA VAL 54 HA VAL 54 -5.439 -2.540 -1.442 470 HB VAL 54 HB VAL 54 -4.239 -5.335 -1.227 471 HG11 VAL 54 1HG1 VAL 54 -2.787 -2.691 -1.387 472 HG12 VAL 54 2HG1 VAL 54 -2.866 -3.865 -2.685 473 HG13 VAL 54 3HG1 VAL 54 -2.050 -4.270 -1.162 474 HG21 VAL 54 1HG2 VAL 54 -4.126 -2.982 0.633 475 HG22 VAL 54 2HG2 VAL 54 -3.387 -4.558 0.909 476 HG23 VAL 54 3HG2 VAL 54 -5.147 -4.397 0.844 477 H GLN 55 H GLN 55 -6.228 -5.494 -3.183 478 HA GLN 55 HA GLN 55 -4.968 -4.966 -5.647 479 HB2 GLN 55 2HB GLN 55 -7.692 -6.229 -5.297 480 HB3 GLN 55 1HB GLN 55 -6.609 -6.422 -6.656 481 HG2 GLN 55 2HG GLN 55 -6.151 -7.438 -3.868 482 HG3 GLN 55 1HG GLN 55 -6.695 -8.393 -5.233 483 HE21 GLN 55 1HE2 GLN 55 -4.507 -8.807 -3.596 484 HE22 GLN 55 2HE2 GLN 55 -3.048 -8.786 -4.475 485 H LYS 56 H LYS 56 -8.179 -4.181 -4.433 486 HA LYS 56 HA LYS 56 -9.197 -2.818 -6.656 487 HB2 LYS 56 2HB LYS 56 -9.836 -2.377 -3.741 488 HB3 LYS 56 1HB LYS 56 -10.815 -1.847 -5.098 489 HG2 LYS 56 2HG LYS 56 -11.189 -4.183 -5.736 490 HG3 LYS 56 1HG LYS 56 -10.202 -4.705 -4.371 491 HD2 LYS 56 2HD LYS 56 -11.762 -3.618 -2.837 492 HD3 LYS 56 1HD LYS 56 -12.756 -3.123 -4.211 493 HE2 LYS 56 2HE LYS 56 -13.105 -5.482 -4.790 494 HE3 LYS 56 1HE LYS 56 -12.129 -5.961 -3.401 495 HZ1 LYS 56 1HZ LYS 56 -14.487 -6.085 -2.941 496 HZ2 LYS 56 2HZ LYS 56 -14.676 -4.454 -3.303 497 HZ3 LYS 56 3HZ LYS 56 -13.774 -4.942 -1.942 498 H ALA 57 H ALA 57 -7.411 -1.673 -3.840 499 HA ALA 57 HA ALA 57 -7.508 1.083 -4.490 500 HB1 ALA 57 1HB ALA 57 -5.655 1.331 -2.899 501 HB2 ALA 57 2HB ALA 57 -5.448 -0.416 -2.843 502 HB3 ALA 57 3HB ALA 57 -6.940 0.321 -2.240 503 H MET 58 H MET 58 -5.165 -1.413 -5.280 504 HA MET 58 HA MET 58 -3.257 0.158 -6.514 505 HB2 MET 58 2HB MET 58 -4.086 -2.628 -7.287 506 HB3 MET 58 1HB MET 58 -2.644 -1.821 -7.869 507 HG2 MET 58 2HG MET 58 -1.857 -1.698 -5.521 508 HG3 MET 58 1HG MET 58 -3.270 -2.633 -5.060 509 HE1 MET 58 1HE MET 58 -0.351 -3.605 -4.411 510 HE2 MET 58 2HE MET 58 -0.354 -5.309 -4.890 511 HE3 MET 58 3HE MET 58 -1.724 -4.660 -4.022 512 H LYS 59 H LYS 59 -6.201 -1.200 -7.826 513 HA LYS 59 HA LYS 59 -5.788 -0.563 -10.526 514 HB2 LYS 59 2HB LYS 59 -8.400 -0.596 -8.991 515 HB3 LYS 59 1HB LYS 59 -8.238 -0.677 -10.740 516 HG2 LYS 59 2HG LYS 59 -7.166 -2.841 -10.585 517 HG3 LYS 59 1HG LYS 59 -7.138 -2.737 -8.832 518 HD2 LYS 59 2HD LYS 59 -8.910 -4.216 -9.438 519 HD3 LYS 59 1HD LYS 59 -9.640 -2.728 -8.868 520 HE2 LYS 59 2HE LYS 59 -9.320 -3.551 -11.772 521 HE3 LYS 59 1HE LYS 59 -10.792 -3.687 -10.832 522 HZ1 LYS 59 1HZ LYS 59 -9.468 -1.196 -11.781 523 HZ2 LYS 59 2HZ LYS 59 -10.728 -1.178 -10.643 524 HZ3 LYS 59 3HZ LYS 59 -10.967 -1.796 -12.169 525 H HIS 60 H HIS 60 -7.155 1.317 -7.914 526 HA HIS 60 HA HIS 60 -7.679 3.595 -9.535 527 HB2 HIS 60 2HB HIS 60 -9.064 3.158 -7.643 528 HB3 HIS 60 1HB HIS 60 -7.664 3.095 -6.578 529 HD1 HIS 60 1HD HIS 60 -9.684 5.610 -8.622 530 HD2 HIS 60 2HD HIS 60 -7.037 5.460 -5.446 531 HE1 HIS 60 1HE HIS 60 -9.629 7.933 -7.717 532 HE2 HIS 60 2HE HIS 60 -8.077 7.836 -5.742 533 H LEU 61 H LEU 61 -5.146 2.634 -7.332 534 HA LEU 61 HA LEU 61 -3.837 5.176 -7.299 535 HB2 LEU 61 2HB LEU 61 -2.895 2.491 -6.360 536 HB3 LEU 61 1HB LEU 61 -2.114 4.022 -6.023 537 HG LEU 61 HG LEU 61 -4.881 3.252 -5.106 538 HD11 LEU 61 1HD1 LEU 61 -2.289 3.352 -3.574 539 HD12 LEU 61 2HD1 LEU 61 -3.184 1.899 -4.035 540 HD13 LEU 61 3HD1 LEU 61 -3.888 3.043 -2.893 541 HD21 LEU 61 1HD2 LEU 61 -3.150 5.635 -4.425 542 HD22 LEU 61 2HD2 LEU 61 -4.698 5.242 -3.679 543 HD23 LEU 61 3HD2 LEU 61 -4.628 5.663 -5.386 544 H ASP 62 H ASP 62 -3.321 2.202 -9.203 545 HA ASP 62 HA ASP 62 -0.605 2.974 -9.818 546 HB2 ASP 62 2HB ASP 62 -1.283 0.596 -9.709 547 HB3 ASP 62 1HB ASP 62 -2.292 0.869 -11.130 548 H LYS 63 H LYS 63 -3.662 3.276 -11.396 549 HA LYS 63 HA LYS 63 -2.287 4.988 -13.205 550 HB2 LYS 63 2HB LYS 63 -3.885 4.469 -15.089 551 HB3 LYS 63 1HB LYS 63 -2.751 3.204 -14.702 552 HG2 LYS 63 2HG LYS 63 -5.629 3.215 -13.793 553 HG3 LYS 63 1HG LYS 63 -5.045 2.482 -15.288 554 HD2 LYS 63 2HD LYS 63 -3.585 0.998 -13.988 555 HD3 LYS 63 1HD LYS 63 -4.168 1.736 -12.495 556 HE2 LYS 63 2HE LYS 63 -5.284 -0.384 -12.907 557 HE3 LYS 63 1HE LYS 63 -6.428 0.950 -12.985 558 HZ1 LYS 63 1HZ LYS 63 -5.207 -0.408 -15.329 559 HZ2 LYS 63 2HZ LYS 63 -6.344 0.829 -15.412 560 HZ3 LYS 63 3HZ LYS 63 -6.764 -0.666 -14.778 561 H LYS 64 H LYS 64 -2.616 6.547 -11.979 562 HA LYS 64 HA LYS 64 -5.336 7.417 -11.430 563 HB2 LYS 64 2HB LYS 64 -4.154 8.993 -9.828 564 HB3 LYS 64 1HB LYS 64 -4.016 7.282 -9.451 565 HG2 LYS 64 2HG LYS 64 -1.763 7.275 -10.505 566 HG3 LYS 64 1HG LYS 64 -1.911 9.011 -10.750 567 HD2 LYS 64 2HD LYS 64 -1.973 7.605 -8.078 568 HD3 LYS 64 1HD LYS 64 -0.572 8.422 -8.763 569 HE2 LYS 64 2HE LYS 64 -1.833 10.535 -8.756 570 HE3 LYS 64 1HE LYS 64 -3.205 9.696 -8.027 571 HZ1 LYS 64 1HZ LYS 64 -0.504 9.938 -6.830 572 HZ2 LYS 64 2HZ LYS 64 -1.803 9.166 -6.110 573 HZ3 LYS 64 3HZ LYS 64 -1.844 10.838 -6.366 Start of MODEL 14 1 H1 ALA 1 1HT ALA 1 13.623 -0.697 10.767 2 H2 ALA 1 2HT ALA 1 14.477 0.598 10.137 3 H3 ALA 1 3HT ALA 1 13.096 0.025 9.352 4 HA ALA 1 HA ALA 1 11.714 0.653 11.181 5 HB1 ALA 1 1HB ALA 1 14.240 1.780 12.390 6 HB2 ALA 1 2HB ALA 1 13.394 0.330 12.936 7 HB3 ALA 1 3HB ALA 1 12.620 1.908 13.061 8 H ARG 2 H ARG 2 13.285 1.771 8.641 9 HA ARG 2 HA ARG 2 12.269 4.484 8.968 10 HB2 ARG 2 2HB ARG 2 14.590 3.545 7.275 11 HB3 ARG 2 1HB ARG 2 13.973 5.182 7.318 12 HG2 ARG 2 2HG ARG 2 14.587 5.344 9.692 13 HG3 ARG 2 1HG ARG 2 15.236 3.708 9.621 14 HD2 ARG 2 2HD ARG 2 17.025 5.329 9.389 15 HD3 ARG 2 1HD ARG 2 16.822 4.427 7.890 16 HE ARG 2 HE ARG 2 15.331 6.859 7.955 17 HH11 ARG 2 1HH1 ARG 2 18.510 5.489 7.277 18 HH12 ARG 2 2HH1 ARG 2 18.985 6.750 6.230 19 HH21 ARG 2 1HH2 ARG 2 15.991 8.589 6.503 20 HH22 ARG 2 2HH2 ARG 2 17.528 8.532 5.786 21 H LYS 3 H LYS 3 11.743 5.426 6.718 22 HA LYS 3 HA LYS 3 9.855 3.628 5.579 23 HB2 LYS 3 2HB LYS 3 10.517 6.488 4.873 24 HB3 LYS 3 1HB LYS 3 9.349 5.542 3.971 25 HG2 LYS 3 2HG LYS 3 8.189 6.955 5.526 26 HG3 LYS 3 1HG LYS 3 8.034 5.277 6.047 27 HD2 LYS 3 2HD LYS 3 9.789 5.654 7.718 28 HD3 LYS 3 1HD LYS 3 9.928 7.331 7.179 29 HE2 LYS 3 2HE LYS 3 7.591 7.723 7.815 30 HE3 LYS 3 1HE LYS 3 7.456 6.051 8.336 31 HZ1 LYS 3 1HZ LYS 3 7.848 7.541 10.182 32 HZ2 LYS 3 2HZ LYS 3 9.300 8.057 9.499 33 HZ3 LYS 3 3HZ LYS 3 9.125 6.450 10.002 34 H SER 4 H SER 4 10.769 2.051 4.627 35 HA SER 4 HA SER 4 11.798 2.414 1.967 36 HB2 SER 4 2HB SER 4 13.464 1.016 4.068 37 HB3 SER 4 1HB SER 4 13.855 1.101 2.354 38 HG SER 4 HG SER 4 13.417 3.538 3.596 39 H CYS 5 H CYS 5 11.477 0.150 4.703 40 HA CYS 5 HA CYS 5 9.928 -1.620 3.004 41 HB2 CYS 5 2HB CYS 5 12.184 -2.448 4.839 42 HB3 CYS 5 1HB CYS 5 11.114 -3.541 3.974 43 H CYS 6 H CYS 6 8.522 -2.937 4.219 44 HA CYS 6 HA CYS 6 8.056 -2.153 6.986 45 HB2 CYS 6 2HB CYS 6 6.247 -3.181 4.822 46 HB3 CYS 6 1HB CYS 6 5.761 -2.974 6.499 47 H LEU 7 H LEU 7 7.652 -3.848 8.405 48 HA LEU 7 HA LEU 7 8.380 -6.504 7.418 49 HB2 LEU 7 2HB LEU 7 8.847 -5.331 10.174 50 HB3 LEU 7 1HB LEU 7 9.135 -7.003 9.756 51 HG LEU 7 HG LEU 7 10.871 -6.182 8.103 52 HD11 LEU 7 1HD1 LEU 7 11.834 -3.966 8.418 53 HD12 LEU 7 2HD1 LEU 7 10.534 -3.562 9.541 54 HD13 LEU 7 3HD1 LEU 7 10.168 -3.884 7.847 55 HD21 LEU 7 1HD2 LEU 7 11.515 -7.138 10.216 56 HD22 LEU 7 2HD2 LEU 7 11.300 -5.583 11.019 57 HD23 LEU 7 3HD2 LEU 7 12.580 -5.790 9.825 58 H LYS 8 H LYS 8 5.910 -4.630 8.659 59 HA LYS 8 HA LYS 8 4.346 -7.034 9.214 60 HB2 LYS 8 2HB LYS 8 4.179 -4.408 10.682 61 HB3 LYS 8 1HB LYS 8 3.064 -5.740 10.922 62 HG2 LYS 8 2HG LYS 8 5.043 -7.101 11.677 63 HG3 LYS 8 1HG LYS 8 5.991 -5.624 11.616 64 HD2 LYS 8 2HD LYS 8 3.547 -6.077 13.357 65 HD3 LYS 8 1HD LYS 8 5.208 -6.173 13.900 66 HE2 LYS 8 2HE LYS 8 4.353 -4.067 14.604 67 HE3 LYS 8 1HE LYS 8 5.451 -3.741 13.274 68 HZ1 LYS 8 1HZ LYS 8 2.476 -3.814 13.060 69 HZ2 LYS 8 2HZ LYS 8 3.532 -3.380 11.827 70 HZ3 LYS 8 3HZ LYS 8 3.402 -2.427 13.175 71 H TYR 9 H TYR 9 2.008 -6.595 8.922 72 HA TYR 9 HA TYR 9 1.516 -4.592 6.815 73 HB2 TYR 9 2HB TYR 9 -0.269 -7.035 7.249 74 HB3 TYR 9 1HB TYR 9 -0.132 -5.959 5.916 75 HD1 TYR 9 1HD TYR 9 1.417 -6.253 4.181 76 HD2 TYR 9 2HD TYR 9 1.475 -8.809 7.554 77 HE1 TYR 9 1HE TYR 9 2.838 -7.824 2.943 78 HE2 TYR 9 2HE TYR 9 2.896 -10.405 6.343 79 HH TYR 9 HH TYR 9 4.426 -9.641 3.411 80 H THR 10 H THR 10 -0.558 -3.553 6.976 81 HA THR 10 HA THR 10 -1.252 -2.920 9.601 82 HB THR 10 HB THR 10 -1.429 -1.188 7.932 83 HG1 THR 10 1HG THR 10 -4.041 -1.088 8.198 84 HG21 THR 10 1HG2 THR 10 -3.136 -1.227 6.159 85 HG22 THR 10 2HG2 THR 10 -3.593 -2.867 6.639 86 HG23 THR 10 3HG2 THR 10 -1.982 -2.549 5.986 87 H LYS 11 H LYS 11 -2.922 -3.449 10.814 88 HA LYS 11 HA LYS 11 -4.457 -5.814 10.108 89 HB2 LYS 11 2HB LYS 11 -5.195 -5.717 12.462 90 HB3 LYS 11 1HB LYS 11 -3.445 -5.751 12.303 91 HG2 LYS 11 2HG LYS 11 -3.380 -3.305 12.658 92 HG3 LYS 11 1HG LYS 11 -5.130 -3.309 12.871 93 HD2 LYS 11 2HD LYS 11 -3.153 -4.815 14.584 94 HD3 LYS 11 1HD LYS 11 -3.905 -3.282 15.013 95 HE2 LYS 11 2HE LYS 11 -6.105 -4.345 14.939 96 HE3 LYS 11 1HE LYS 11 -5.354 -5.876 14.496 97 HZ1 LYS 11 1HZ LYS 11 -4.196 -5.869 16.626 98 HZ2 LYS 11 2HZ LYS 11 -5.869 -5.773 16.830 99 HZ3 LYS 11 3HZ LYS 11 -4.941 -4.396 17.026 100 H ARG 12 H ARG 12 -4.785 -2.582 9.704 101 HA ARG 12 HA ARG 12 -7.720 -2.686 9.734 102 HB2 ARG 12 2HB ARG 12 -6.970 -1.232 11.523 103 HB3 ARG 12 1HB ARG 12 -5.877 -0.394 10.437 104 HG2 ARG 12 2HG ARG 12 -7.801 0.993 10.855 105 HG3 ARG 12 1HG ARG 12 -7.829 0.454 9.181 106 HD2 ARG 12 2HD ARG 12 -9.434 -1.331 9.839 107 HD3 ARG 12 1HD ARG 12 -9.455 -0.655 11.463 108 HE ARG 12 HE ARG 12 -10.012 1.369 9.615 109 HH11 ARG 12 1HH1 ARG 12 -11.555 -1.494 11.013 110 HH12 ARG 12 2HH1 ARG 12 -13.139 -0.918 10.777 111 HH21 ARG 12 1HH2 ARG 12 -12.201 2.141 9.260 112 HH22 ARG 12 2HH2 ARG 12 -13.520 1.193 9.740 113 HA PRO 13 HA PRO 13 -7.068 -1.859 5.294 114 HB2 PRO 13 2HB PRO 13 -9.985 -1.296 5.582 115 HB3 PRO 13 1HB PRO 13 -9.148 -2.285 4.378 116 HG2 PRO 13 2HG PRO 13 -10.490 -3.456 6.320 117 HG3 PRO 13 1HG PRO 13 -8.902 -4.074 5.828 118 HD2 PRO 13 2HD PRO 13 -9.633 -2.419 8.206 119 HD3 PRO 13 1HD PRO 13 -8.509 -3.794 8.098 120 H LEU 14 H LEU 14 -7.275 0.039 4.000 121 HA LEU 14 HA LEU 14 -7.711 2.511 5.524 122 HB2 LEU 14 2HB LEU 14 -5.327 1.964 5.006 123 HB3 LEU 14 1HB LEU 14 -5.744 1.931 3.313 124 HG LEU 14 HG LEU 14 -6.289 4.338 3.449 125 HD11 LEU 14 1HD1 LEU 14 -5.538 5.600 5.398 126 HD12 LEU 14 2HD1 LEU 14 -5.127 4.101 6.223 127 HD13 LEU 14 3HD1 LEU 14 -6.812 4.464 5.840 128 HD21 LEU 14 1HD2 LEU 14 -3.530 3.526 4.333 129 HD22 LEU 14 2HD2 LEU 14 -3.955 5.050 3.552 130 HD23 LEU 14 3HD2 LEU 14 -4.130 3.528 2.682 131 HA PRO 15 HA PRO 15 -10.654 3.047 2.132 132 HB2 PRO 15 2HB PRO 15 -10.726 5.897 2.863 133 HB3 PRO 15 1HB PRO 15 -12.036 4.714 2.905 134 HG2 PRO 15 2HG PRO 15 -10.936 5.687 5.159 135 HG3 PRO 15 1HG PRO 15 -11.511 4.014 5.046 136 HD2 PRO 15 2HD PRO 15 -8.718 5.075 4.869 137 HD3 PRO 15 1HD PRO 15 -9.329 3.634 5.715 138 H LEU 16 H LEU 16 -10.322 3.514 0.065 139 HA LEU 16 HA LEU 16 -7.833 4.485 -0.816 140 HB2 LEU 16 2HB LEU 16 -8.994 2.839 -2.086 141 HB3 LEU 16 1HB LEU 16 -10.360 3.942 -2.340 142 HG LEU 16 HG LEU 16 -8.800 5.324 -3.677 143 HD11 LEU 16 1HD1 LEU 16 -6.687 4.300 -4.391 144 HD12 LEU 16 2HD1 LEU 16 -6.964 2.967 -3.274 145 HD13 LEU 16 3HD1 LEU 16 -6.705 4.598 -2.657 146 HD21 LEU 16 1HD2 LEU 16 -9.132 2.463 -4.438 147 HD22 LEU 16 2HD2 LEU 16 -8.838 3.836 -5.541 148 HD23 LEU 16 3HD2 LEU 16 -10.322 3.761 -4.566 149 H LYS 17 H LYS 17 -10.873 5.968 -0.391 150 HA LYS 17 HA LYS 17 -10.531 8.356 -1.805 151 HB2 LYS 17 2HB LYS 17 -12.002 7.880 0.781 152 HB3 LYS 17 1HB LYS 17 -12.144 9.347 -0.172 153 HG2 LYS 17 2HG LYS 17 -13.043 8.036 -2.039 154 HG3 LYS 17 1HG LYS 17 -12.914 6.575 -1.066 155 HD2 LYS 17 2HD LYS 17 -14.616 8.990 -0.414 156 HD3 LYS 17 1HD LYS 17 -15.194 7.472 -1.097 157 HE2 LYS 17 2HE LYS 17 -14.438 6.289 0.932 158 HE3 LYS 17 1HE LYS 17 -13.900 7.821 1.612 159 HZ1 LYS 17 1HZ LYS 17 -16.717 7.162 0.899 160 HZ2 LYS 17 2HZ LYS 17 -16.197 8.606 1.570 161 HZ3 LYS 17 3HZ LYS 17 -16.076 7.182 2.451 162 H ARG 18 H ARG 18 -8.688 7.234 0.681 163 HA ARG 18 HA ARG 18 -7.798 9.972 1.467 164 HB2 ARG 18 2HB ARG 18 -7.820 7.513 3.214 165 HB3 ARG 18 1HB ARG 18 -7.266 9.113 3.683 166 HG2 ARG 18 2HG ARG 18 -9.545 9.964 3.432 167 HG3 ARG 18 1HG ARG 18 -10.073 8.350 2.943 168 HD2 ARG 18 2HD ARG 18 -9.350 7.473 5.116 169 HD3 ARG 18 1HD ARG 18 -8.869 9.096 5.601 170 HE ARG 18 HE ARG 18 -11.529 9.145 4.768 171 HH11 ARG 18 1HH1 ARG 18 -9.580 7.850 7.424 172 HH12 ARG 18 2HH1 ARG 18 -10.808 7.940 8.585 173 HH21 ARG 18 1HH2 ARG 18 -13.260 9.265 6.370 174 HH22 ARG 18 2HH2 ARG 18 -12.947 8.776 7.976 175 H ILE 19 H ILE 19 -6.881 7.634 -0.437 176 HA ILE 19 HA ILE 19 -4.129 7.456 0.595 177 HB ILE 19 HB ILE 19 -5.392 5.672 -1.516 178 HG12 ILE 19 2HG1 ILE 19 -4.825 5.024 1.357 179 HG13 ILE 19 1HG1 ILE 19 -6.443 5.414 0.805 180 HG21 ILE 19 1HG2 ILE 19 -2.836 5.436 0.109 181 HG22 ILE 19 2HG2 ILE 19 -2.920 5.802 -1.614 182 HG23 ILE 19 3HG2 ILE 19 -3.431 4.223 -1.011 183 HD11 ILE 19 1HD1 ILE 19 -6.351 3.426 -0.692 184 HD12 ILE 19 2HD1 ILE 19 -6.100 2.989 1.000 185 HD13 ILE 19 3HD1 ILE 19 -4.736 3.131 -0.108 186 H LYS 20 H LYS 20 -2.587 8.423 -0.513 187 HA LYS 20 HA LYS 20 -3.271 9.877 -2.905 188 HB2 LYS 20 2HB LYS 20 -0.700 9.824 -1.308 189 HB3 LYS 20 1HB LYS 20 -1.014 10.878 -2.661 190 HG2 LYS 20 2HG LYS 20 -2.384 10.872 -0.047 191 HG3 LYS 20 1HG LYS 20 -1.280 12.091 -0.694 192 HD2 LYS 20 2HD LYS 20 -4.000 11.332 -1.627 193 HD3 LYS 20 1HD LYS 20 -3.544 12.859 -0.898 194 HE2 LYS 20 2HE LYS 20 -2.583 11.908 -3.632 195 HE3 LYS 20 1HE LYS 20 -3.756 13.184 -3.350 196 HZ1 LYS 20 1HZ LYS 20 -2.021 14.483 -2.266 197 HZ2 LYS 20 2HZ LYS 20 -1.566 14.065 -3.824 198 HZ3 LYS 20 3HZ LYS 20 -0.898 13.257 -2.528 199 H SER 21 H SER 21 -1.012 7.294 -1.943 200 HA SER 21 HA SER 21 -0.829 6.183 -4.509 201 HB2 SER 21 2HB SER 21 0.405 8.327 -4.949 202 HB3 SER 21 1HB SER 21 1.525 7.914 -3.659 203 HG SER 21 HG SER 21 1.069 6.344 -5.982 204 H TYR 22 H TYR 22 1.182 4.641 -4.476 205 HA TYR 22 HA TYR 22 1.854 3.839 -1.731 206 HB2 TYR 22 2HB TYR 22 1.487 1.512 -2.249 207 HB3 TYR 22 1HB TYR 22 -0.004 2.405 -2.474 208 HD1 TYR 22 1HD TYR 22 -1.149 2.224 -4.462 209 HD2 TYR 22 2HD TYR 22 2.870 0.921 -4.350 210 HE1 TYR 22 1HE TYR 22 -1.393 1.238 -6.691 211 HE2 TYR 22 2HE TYR 22 2.631 -0.054 -6.591 212 HH TYR 22 HH TYR 22 -0.011 0.621 -8.573 213 H THR 23 H THR 23 3.566 2.322 -1.677 214 HA THR 23 HA THR 23 5.496 2.649 -3.860 215 HB THR 23 HB THR 23 5.952 2.348 -0.878 216 HG1 THR 23 1HG THR 23 6.548 4.487 -2.648 217 HG21 THR 23 1HG2 THR 23 7.629 1.169 -2.196 218 HG22 THR 23 2HG2 THR 23 8.339 2.565 -1.370 219 HG23 THR 23 3HG2 THR 23 7.981 2.640 -3.104 220 H ILE 24 H ILE 24 6.322 0.738 -4.696 221 HA ILE 24 HA ILE 24 5.071 -1.703 -3.790 222 HB ILE 24 HB ILE 24 6.953 -1.235 -6.127 223 HG12 ILE 24 2HG1 ILE 24 3.950 -1.586 -6.048 224 HG13 ILE 24 1HG1 ILE 24 4.794 -0.071 -6.356 225 HG21 ILE 24 1HG2 ILE 24 5.285 -3.664 -5.425 226 HG22 ILE 24 2HG2 ILE 24 7.045 -3.554 -5.350 227 HG23 ILE 24 3HG2 ILE 24 6.220 -3.459 -6.906 228 HD11 ILE 24 1HD1 ILE 24 4.844 -2.532 -8.091 229 HD12 ILE 24 2HD1 ILE 24 5.726 -1.042 -8.410 230 HD13 ILE 24 3HD1 ILE 24 3.962 -1.041 -8.420 231 H GLN 25 H GLN 25 5.977 -2.698 -2.143 232 HA GLN 25 HA GLN 25 8.863 -2.706 -1.866 233 HB2 GLN 25 2HB GLN 25 7.799 -2.229 0.171 234 HB3 GLN 25 1HB GLN 25 6.618 -3.501 -0.004 235 HG2 GLN 25 2HG GLN 25 8.318 -5.163 0.340 236 HG3 GLN 25 1HG GLN 25 9.543 -3.901 0.452 237 HE21 GLN 25 1HE2 GLN 25 8.545 -5.928 2.391 238 HE22 GLN 25 2HE2 GLN 25 8.161 -5.023 3.805 239 H SER 26 H SER 26 9.972 -4.240 -2.730 240 HA SER 26 HA SER 26 8.643 -6.683 -3.419 241 HB2 SER 26 2HB SER 26 10.769 -7.184 -4.639 242 HB3 SER 26 1HB SER 26 9.982 -5.697 -5.168 243 HG SER 26 HG SER 26 11.485 -4.513 -4.175 244 H ASN 27 H ASN 27 9.048 -8.608 -2.489 245 HA ASN 27 HA ASN 27 10.158 -8.658 0.099 246 HB2 ASN 27 2HB ASN 27 8.161 -9.739 -0.513 247 HB3 ASN 27 1HB ASN 27 8.937 -10.640 -1.806 248 HD21 ASN 27 1HD2 ASN 27 8.046 -12.338 -0.955 249 HD22 ASN 27 2HD2 ASN 27 8.663 -13.207 0.410 250 H GLU 28 H GLU 28 11.442 -8.839 -2.910 251 HA GLU 28 HA GLU 28 13.561 -10.685 -2.532 252 HB2 GLU 28 2HB GLU 28 13.254 -8.362 -4.442 253 HB3 GLU 28 1HB GLU 28 14.625 -9.453 -4.468 254 HG2 GLU 28 2HG GLU 28 13.019 -10.005 -6.201 255 HG3 GLU 28 1HG GLU 28 13.146 -11.312 -5.031 256 H ALA 29 H ALA 29 13.235 -7.179 -2.177 257 HA ALA 29 HA ALA 29 15.960 -7.009 -1.111 258 HB1 ALA 29 1HB ALA 29 15.749 -4.602 -1.422 259 HB2 ALA 29 2HB ALA 29 14.064 -4.801 -1.904 260 HB3 ALA 29 3HB ALA 29 15.352 -5.459 -2.913 261 H CYS 30 H CYS 30 12.637 -6.726 -0.137 262 HA CYS 30 HA CYS 30 13.496 -5.771 2.498 263 HB2 CYS 30 2HB CYS 30 10.768 -5.797 1.232 264 HB3 CYS 30 1HB CYS 30 11.149 -5.157 2.823 265 H ASN 31 H ASN 31 12.223 -6.700 4.335 266 HA ASN 31 HA ASN 31 12.612 -9.450 4.509 267 HB2 ASN 31 2HB ASN 31 12.593 -8.038 6.492 268 HB3 ASN 31 1HB ASN 31 10.906 -7.643 6.226 269 HD21 ASN 31 1HD2 ASN 31 13.119 -10.185 7.179 270 HD22 ASN 31 2HD2 ASN 31 11.943 -11.149 7.987 271 H ILE 32 H ILE 32 9.647 -7.693 3.804 272 HA ILE 32 HA ILE 32 8.420 -10.243 2.985 273 HB ILE 32 HB ILE 32 6.222 -9.479 3.820 274 HG12 ILE 32 2HG1 ILE 32 7.777 -7.230 5.110 275 HG13 ILE 32 1HG1 ILE 32 6.659 -7.064 3.765 276 HG21 ILE 32 1HG2 ILE 32 8.356 -9.541 5.885 277 HG22 ILE 32 2HG2 ILE 32 7.542 -10.957 5.210 278 HG23 ILE 32 3HG2 ILE 32 6.634 -9.798 6.213 279 HD11 ILE 32 1HD1 ILE 32 5.964 -7.958 6.551 280 HD12 ILE 32 2HD1 ILE 32 4.829 -7.794 5.211 281 HD13 ILE 32 3HD1 ILE 32 5.646 -6.370 5.855 282 H LYS 33 H LYS 33 6.356 -9.719 1.687 283 HA LYS 33 HA LYS 33 6.998 -7.587 -0.102 284 HB2 LYS 33 2HB LYS 33 6.382 -9.838 -1.069 285 HB3 LYS 33 1HB LYS 33 4.802 -9.661 -0.336 286 HG2 LYS 33 2HG LYS 33 4.316 -7.747 -1.717 287 HG3 LYS 33 1HG LYS 33 5.933 -7.802 -2.399 288 HD2 LYS 33 2HD LYS 33 5.483 -10.044 -3.309 289 HD3 LYS 33 1HD LYS 33 3.845 -9.965 -2.664 290 HE2 LYS 33 2HE LYS 33 3.351 -8.056 -4.064 291 HE3 LYS 33 1HE LYS 33 5.007 -8.030 -4.665 292 HZ1 LYS 33 1HZ LYS 33 3.038 -10.219 -5.085 293 HZ2 LYS 33 2HZ LYS 33 4.629 -10.207 -5.647 294 HZ3 LYS 33 3HZ LYS 33 3.525 -9.074 -6.233 295 H ALA 34 H ALA 34 6.061 -5.643 0.773 296 HA ALA 34 HA ALA 34 3.251 -5.747 1.595 297 HB1 ALA 34 1HB ALA 34 4.552 -5.952 3.688 298 HB2 ALA 34 2HB ALA 34 3.701 -4.420 3.615 299 HB3 ALA 34 3HB ALA 34 5.425 -4.478 3.284 300 H ILE 35 H ILE 35 2.407 -4.448 0.108 301 HA ILE 35 HA ILE 35 3.724 -2.225 -1.060 302 HB ILE 35 HB ILE 35 0.735 -2.679 -0.779 303 HG12 ILE 35 2HG1 ILE 35 1.862 -4.555 -1.844 304 HG13 ILE 35 1HG1 ILE 35 0.866 -3.693 -3.011 305 HG21 ILE 35 1HG2 ILE 35 0.527 -1.194 -2.791 306 HG22 ILE 35 2HG2 ILE 35 2.246 -0.888 -2.709 307 HG23 ILE 35 3HG2 ILE 35 1.206 -0.360 -1.403 308 HD11 ILE 35 1HD1 ILE 35 2.929 -4.363 -3.995 309 HD12 ILE 35 2HD1 ILE 35 3.867 -3.547 -2.730 310 HD13 ILE 35 3HD1 ILE 35 2.912 -2.601 -3.873 311 H ILE 36 H ILE 36 3.929 -0.089 -0.398 312 HA ILE 36 HA ILE 36 2.878 0.446 2.279 313 HB ILE 36 HB ILE 36 5.016 2.024 0.805 314 HG12 ILE 36 2HG1 ILE 36 6.527 1.064 2.689 315 HG13 ILE 36 1HG1 ILE 36 5.290 -0.180 2.826 316 HG21 ILE 36 1HG2 ILE 36 3.853 3.382 2.394 317 HG22 ILE 36 2HG2 ILE 36 5.505 3.027 2.928 318 HG23 ILE 36 3HG2 ILE 36 4.143 2.171 3.660 319 HD11 ILE 36 1HD1 ILE 36 5.647 -0.769 0.512 320 HD12 ILE 36 2HD1 ILE 36 7.136 -0.867 1.477 321 HD13 ILE 36 3HD1 ILE 36 6.860 0.512 0.398 322 H PHE 37 H PHE 37 1.078 1.467 2.287 323 HA PHE 37 HA PHE 37 0.202 3.181 0.137 324 HB2 PHE 37 2HB PHE 37 -0.967 2.024 2.624 325 HB3 PHE 37 1HB PHE 37 -1.783 3.361 1.803 326 HD1 PHE 37 1HD PHE 37 0.024 0.569 0.255 327 HD2 PHE 37 2HD PHE 37 -3.684 2.283 1.161 328 HE1 PHE 37 1HE PHE 37 -1.126 -1.072 -1.286 329 HE2 PHE 37 2HE PHE 37 -4.828 0.697 -0.334 330 HZ PHE 37 HZ PHE 37 -3.534 -0.972 -1.549 331 H THR 38 H THR 38 0.003 5.296 0.287 332 HA THR 38 HA THR 38 0.714 6.516 2.848 333 HB THR 38 HB THR 38 1.357 7.578 0.080 334 HG1 THR 38 1HG THR 38 2.512 5.782 1.533 335 HG21 THR 38 1HG2 THR 38 0.924 9.335 1.697 336 HG22 THR 38 2HG2 THR 38 2.650 9.277 1.319 337 HG23 THR 38 3HG2 THR 38 2.023 8.590 2.841 338 H THR 39 H THR 39 -0.756 8.065 3.640 339 HA THR 39 HA THR 39 -3.174 8.250 2.130 340 HB THR 39 HB THR 39 -3.916 9.454 4.232 341 HG1 THR 39 1HG THR 39 -2.562 8.880 6.050 342 HG21 THR 39 1HG2 THR 39 -4.462 7.121 3.808 343 HG22 THR 39 2HG2 THR 39 -4.131 7.379 5.523 344 HG23 THR 39 3HG2 THR 39 -2.912 6.629 4.490 345 H LYS 40 H LYS 40 -4.237 10.493 2.417 346 HA LYS 40 HA LYS 40 -2.612 12.439 1.167 347 HB2 LYS 40 2HB LYS 40 -5.120 12.942 2.715 348 HB3 LYS 40 1HB LYS 40 -4.541 13.888 1.344 349 HG2 LYS 40 2HG LYS 40 -4.888 11.559 0.035 350 HG3 LYS 40 1HG LYS 40 -5.864 11.230 1.419 351 HD2 LYS 40 2HD LYS 40 -7.327 13.039 1.021 352 HD3 LYS 40 1HD LYS 40 -6.277 13.666 -0.259 353 HE2 LYS 40 2HE LYS 40 -6.643 11.588 -1.533 354 HE3 LYS 40 1HE LYS 40 -7.746 11.042 -0.286 355 HZ1 LYS 40 1HZ LYS 40 -9.175 12.923 -0.765 356 HZ2 LYS 40 2HZ LYS 40 -8.909 11.996 -2.144 357 HZ3 LYS 40 3HZ LYS 40 -8.103 13.454 -1.958 358 H LYS 41 H LYS 41 -3.132 11.446 4.351 359 HA LYS 41 HA LYS 41 -2.258 13.744 5.776 360 HB2 LYS 41 2HB LYS 41 -3.620 11.779 6.711 361 HB3 LYS 41 1HB LYS 41 -2.220 10.830 6.479 362 HG2 LYS 41 2HG LYS 41 -2.354 11.287 8.806 363 HG3 LYS 41 1HG LYS 41 -0.974 12.134 8.150 364 HD2 LYS 41 2HD LYS 41 -3.640 13.443 8.727 365 HD3 LYS 41 1HD LYS 41 -2.326 13.373 9.885 366 HE2 LYS 41 2HE LYS 41 -0.923 14.630 8.193 367 HE3 LYS 41 1HE LYS 41 -2.388 14.803 7.233 368 HZ1 LYS 41 1HZ LYS 41 -2.028 16.738 8.565 369 HZ2 LYS 41 2HZ LYS 41 -2.007 15.821 9.969 370 HZ3 LYS 41 3HZ LYS 41 -3.432 15.954 9.090 371 H GLY 42 H GLY 42 -0.893 11.287 3.902 372 HA2 GLY 42 2HA GLY 42 1.225 11.082 3.102 373 HA3 GLY 42 1HA GLY 42 1.745 12.314 4.227 374 H ARG 43 H ARG 43 0.034 9.726 5.629 375 HA ARG 43 HA ARG 43 2.373 8.832 7.062 376 HB2 ARG 43 2HB ARG 43 -0.441 7.853 7.040 377 HB3 ARG 43 1HB ARG 43 0.790 7.224 8.133 378 HG2 ARG 43 2HG ARG 43 1.028 9.496 9.092 379 HG3 ARG 43 1HG ARG 43 -0.269 10.047 8.030 380 HD2 ARG 43 2HD ARG 43 -1.786 8.409 9.103 381 HD3 ARG 43 1HD ARG 43 -0.479 7.952 10.189 382 HE ARG 43 HE ARG 43 -0.605 10.599 10.535 383 HH11 ARG 43 1HH1 ARG 43 -3.095 8.084 10.721 384 HH12 ARG 43 2HH1 ARG 43 -4.065 8.928 11.821 385 HH21 ARG 43 1HH2 ARG 43 -1.965 11.788 12.025 386 HH22 ARG 43 2HH2 ARG 43 -3.409 11.096 12.578 387 H LYS 44 H LYS 44 2.781 6.414 7.305 388 HA LYS 44 HA LYS 44 2.713 5.220 4.630 389 HB2 LYS 44 2HB LYS 44 4.789 4.894 6.806 390 HB3 LYS 44 1HB LYS 44 4.815 4.081 5.247 391 HG2 LYS 44 2HG LYS 44 4.973 7.061 5.675 392 HG3 LYS 44 1HG LYS 44 6.327 5.998 5.295 393 HD2 LYS 44 2HD LYS 44 5.323 5.444 3.153 394 HD3 LYS 44 1HD LYS 44 3.903 6.410 3.541 395 HE2 LYS 44 2HE LYS 44 5.293 8.411 3.641 396 HE3 LYS 44 1HE LYS 44 6.713 7.446 3.248 397 HZ1 LYS 44 1HZ LYS 44 4.327 7.639 1.517 398 HZ2 LYS 44 2HZ LYS 44 5.798 6.947 1.106 399 HZ3 LYS 44 3HZ LYS 44 5.668 8.629 1.318 400 H ILE 45 H ILE 45 1.267 3.753 4.544 401 HA ILE 45 HA ILE 45 0.684 2.121 6.902 402 HB ILE 45 HB ILE 45 -1.031 2.575 4.436 403 HG12 ILE 45 2HG1 ILE 45 -2.618 3.740 6.161 404 HG13 ILE 45 1HG1 ILE 45 -1.200 3.790 7.191 405 HG21 ILE 45 1HG2 ILE 45 -1.674 1.115 6.985 406 HG22 ILE 45 2HG2 ILE 45 -1.421 0.401 5.391 407 HG23 ILE 45 3HG2 ILE 45 -2.814 1.444 5.681 408 HD11 ILE 45 1HD1 ILE 45 -1.589 5.890 6.067 409 HD12 ILE 45 2HD1 ILE 45 -1.411 5.088 4.501 410 HD13 ILE 45 3HD1 ILE 45 -0.040 5.177 5.611 411 H CYS 46 H CYS 46 1.690 0.260 6.799 412 HA CYS 46 HA CYS 46 2.618 -0.904 4.327 413 HB2 CYS 46 2HB CYS 46 2.601 -1.927 7.150 414 HB3 CYS 46 1HB CYS 46 3.586 -2.598 5.870 415 H ALA 47 H ALA 47 1.174 -1.992 3.056 416 HA ALA 47 HA ALA 47 -0.949 -3.403 4.507 417 HB1 ALA 47 1HB ALA 47 -1.165 -2.080 1.813 418 HB2 ALA 47 2HB ALA 47 -1.775 -1.420 3.327 419 HB3 ALA 47 3HB ALA 47 -2.453 -2.916 2.680 420 H ASN 48 H ASN 48 -1.396 -5.423 4.036 421 HA ASN 48 HA ASN 48 0.373 -6.924 2.533 422 HB2 ASN 48 2HB ASN 48 -0.590 -8.056 4.320 423 HB3 ASN 48 1HB ASN 48 -2.210 -7.528 3.930 424 HD21 ASN 48 1HD2 ASN 48 0.371 -9.647 2.852 425 HD22 ASN 48 2HD2 ASN 48 -0.767 -10.668 1.982 426 HA PRO 49 HA PRO 49 -1.299 -6.092 -1.474 427 HB2 PRO 49 2HB PRO 49 0.297 -7.878 -2.777 428 HB3 PRO 49 1HB PRO 49 0.777 -6.229 -2.395 429 HG2 PRO 49 2HG PRO 49 1.485 -8.770 -1.018 430 HG3 PRO 49 1HG PRO 49 2.442 -7.293 -1.251 431 HD2 PRO 49 2HD PRO 49 1.261 -7.937 1.092 432 HD3 PRO 49 1HD PRO 49 1.541 -6.264 0.577 433 H ASN 50 H ASN 50 -1.155 -9.199 0.152 434 HA ASN 50 HA ASN 50 -2.590 -10.518 -1.828 435 HB2 ASN 50 2HB ASN 50 -2.216 -11.240 1.056 436 HB3 ASN 50 1HB ASN 50 -2.945 -12.255 -0.193 437 HD21 ASN 50 1HD2 ASN 50 -0.553 -12.509 1.457 438 HD22 ASN 50 2HD2 ASN 50 0.754 -12.867 0.389 439 H GLU 51 H GLU 51 -3.487 -8.143 0.417 440 HA GLU 51 HA GLU 51 -6.125 -9.146 0.861 441 HB2 GLU 51 2HB GLU 51 -5.107 -6.357 1.395 442 HB3 GLU 51 1HB GLU 51 -6.623 -7.032 1.953 443 HG2 GLU 51 2HG GLU 51 -4.942 -8.802 3.069 444 HG3 GLU 51 1HG GLU 51 -3.877 -7.441 2.895 445 H LYS 52 H LYS 52 -7.868 -8.688 -0.162 446 HA LYS 52 HA LYS 52 -7.561 -8.015 -2.855 447 HB2 LYS 52 2HB LYS 52 -9.222 -9.593 -1.977 448 HB3 LYS 52 1HB LYS 52 -10.110 -8.252 -1.270 449 HG2 LYS 52 2HG LYS 52 -10.455 -7.321 -3.505 450 HG3 LYS 52 1HG LYS 52 -9.595 -8.683 -4.202 451 HD2 LYS 52 2HD LYS 52 -12.128 -8.885 -2.571 452 HD3 LYS 52 1HD LYS 52 -12.029 -8.984 -4.328 453 HE2 LYS 52 2HE LYS 52 -10.627 -10.984 -4.145 454 HE3 LYS 52 1HE LYS 52 -10.691 -10.891 -2.390 455 HZ1 LYS 52 1HZ LYS 52 -13.057 -11.276 -2.471 456 HZ2 LYS 52 2HZ LYS 52 -12.242 -12.491 -3.284 457 HZ3 LYS 52 3HZ LYS 52 -13.026 -11.297 -4.171 458 H TRP 53 H TRP 53 -8.565 -6.074 -0.073 459 HA TRP 53 HA TRP 53 -9.629 -3.941 -1.606 460 HB2 TRP 53 2HB TRP 53 -9.509 -2.544 0.390 461 HB3 TRP 53 1HB TRP 53 -10.059 -4.135 0.862 462 HD1 TRP 53 HD TRP 53 -8.260 -5.631 2.351 463 HE1 TRP 53 1HE TRP 53 -6.295 -4.881 3.826 464 HE3 TRP 53 3HE TRP 53 -7.685 -0.842 0.642 465 HZ2 TRP 53 2HZ TRP 53 -4.733 -2.619 4.240 466 HZ3 TRP 53 3HZ TRP 53 -5.926 0.539 1.636 467 HH2 TRP 53 HH TRP 53 -4.477 -0.325 3.399 468 H VAL 54 H VAL 54 -6.425 -4.788 -0.600 469 HA VAL 54 HA VAL 54 -5.093 -2.392 -1.292 470 HB VAL 54 HB VAL 54 -4.055 -5.240 -1.041 471 HG11 VAL 54 1HG1 VAL 54 -2.494 -2.660 -1.168 472 HG12 VAL 54 2HG1 VAL 54 -2.528 -3.902 -2.420 473 HG13 VAL 54 3HG1 VAL 54 -1.818 -4.251 -0.840 474 HG21 VAL 54 1HG2 VAL 54 -3.936 -2.914 0.853 475 HG22 VAL 54 2HG2 VAL 54 -3.246 -4.516 1.125 476 HG23 VAL 54 3HG2 VAL 54 -4.995 -4.310 0.997 477 H GLN 55 H GLN 55 -5.804 -5.383 -2.926 478 HA GLN 55 HA GLN 55 -4.309 -4.882 -5.218 479 HB2 GLN 55 2HB GLN 55 -6.783 -6.573 -4.996 480 HB3 GLN 55 1HB GLN 55 -5.543 -6.681 -6.249 481 HG2 GLN 55 2HG GLN 55 -3.898 -7.040 -4.359 482 HG3 GLN 55 1HG GLN 55 -5.300 -7.304 -3.340 483 HE21 GLN 55 1HE2 GLN 55 -3.215 -9.013 -3.937 484 HE22 GLN 55 2HE2 GLN 55 -3.811 -10.401 -4.727 485 H LYS 56 H LYS 56 -7.666 -4.231 -4.380 486 HA LYS 56 HA LYS 56 -8.522 -3.085 -6.819 487 HB2 LYS 56 2HB LYS 56 -9.438 -2.500 -4.002 488 HB3 LYS 56 1HB LYS 56 -10.273 -1.983 -5.456 489 HG2 LYS 56 2HG LYS 56 -10.713 -4.280 -6.064 490 HG3 LYS 56 1HG LYS 56 -9.780 -4.849 -4.677 491 HD2 LYS 56 2HD LYS 56 -11.342 -3.731 -3.174 492 HD3 LYS 56 1HD LYS 56 -12.271 -3.170 -4.566 493 HE2 LYS 56 2HE LYS 56 -12.774 -5.467 -5.178 494 HE3 LYS 56 1HE LYS 56 -11.784 -6.058 -3.852 495 HZ1 LYS 56 1HZ LYS 56 -14.122 -6.102 -3.277 496 HZ2 LYS 56 2HZ LYS 56 -14.252 -4.440 -3.550 497 HZ3 LYS 56 3HZ LYS 56 -13.292 -5.027 -2.293 498 H ALA 57 H ALA 57 -7.076 -1.690 -3.906 499 HA ALA 57 HA ALA 57 -7.169 1.009 -4.676 500 HB1 ALA 57 1HB ALA 57 -5.506 1.385 -2.924 501 HB2 ALA 57 2HB ALA 57 -5.217 -0.334 -2.791 502 HB3 ALA 57 3HB ALA 57 -6.798 0.324 -2.348 503 H MET 58 H MET 58 -4.605 -1.435 -4.981 504 HA MET 58 HA MET 58 -2.765 0.275 -6.020 505 HB2 MET 58 2HB MET 58 -2.956 -2.699 -6.360 506 HB3 MET 58 1HB MET 58 -1.612 -1.757 -6.992 507 HG2 MET 58 2HG MET 58 -1.224 -0.933 -4.663 508 HG3 MET 58 1HG MET 58 -2.421 -2.105 -4.121 509 HE1 MET 58 1HE MET 58 -0.659 -5.480 -5.061 510 HE2 MET 58 2HE MET 58 -1.842 -4.615 -6.049 511 HE3 MET 58 3HE MET 58 -2.087 -4.765 -4.300 512 H LYS 59 H LYS 59 -5.157 -1.681 -7.726 513 HA LYS 59 HA LYS 59 -4.268 -1.092 -10.296 514 HB2 LYS 59 2HB LYS 59 -7.064 -1.739 -9.330 515 HB3 LYS 59 1HB LYS 59 -6.527 -1.797 -11.010 516 HG2 LYS 59 2HG LYS 59 -4.943 -3.529 -10.491 517 HG3 LYS 59 1HG LYS 59 -5.342 -3.423 -8.783 518 HD2 LYS 59 2HD LYS 59 -7.650 -4.151 -9.348 519 HD3 LYS 59 1HD LYS 59 -7.122 -4.392 -11.022 520 HE2 LYS 59 2HE LYS 59 -5.387 -5.954 -10.229 521 HE3 LYS 59 1HE LYS 59 -5.949 -5.710 -8.586 522 HZ1 LYS 59 1HZ LYS 59 -8.081 -6.696 -9.225 523 HZ2 LYS 59 2HZ LYS 59 -6.787 -7.733 -9.468 524 HZ3 LYS 59 3HZ LYS 59 -7.486 -6.983 -10.787 525 H HIS 60 H HIS 60 -6.324 0.698 -8.060 526 HA HIS 60 HA HIS 60 -7.033 2.633 -10.011 527 HB2 HIS 60 2HB HIS 60 -8.529 2.349 -8.153 528 HB3 HIS 60 1HB HIS 60 -7.229 2.612 -6.999 529 HD1 HIS 60 1HD HIS 60 -9.241 4.552 -9.582 530 HD2 HIS 60 2HD HIS 60 -6.963 5.106 -6.181 531 HE1 HIS 60 1HE HIS 60 -9.446 7.005 -9.055 532 HE2 HIS 60 2HE HIS 60 -7.827 7.370 -7.172 533 H LEU 61 H LEU 61 -4.717 2.582 -7.347 534 HA LEU 61 HA LEU 61 -3.759 5.218 -7.747 535 HB2 LEU 61 2HB LEU 61 -2.529 2.880 -6.321 536 HB3 LEU 61 1HB LEU 61 -1.937 4.526 -6.222 537 HG LEU 61 HG LEU 61 -4.681 3.652 -5.329 538 HD11 LEU 61 1HD1 LEU 61 -2.183 4.178 -3.727 539 HD12 LEU 61 2HD1 LEU 61 -2.989 2.623 -3.946 540 HD13 LEU 61 3HD1 LEU 61 -3.801 3.917 -3.070 541 HD21 LEU 61 1HD2 LEU 61 -3.145 6.218 -4.941 542 HD22 LEU 61 2HD2 LEU 61 -4.707 5.839 -4.217 543 HD23 LEU 61 3HD2 LEU 61 -4.567 5.999 -5.967 544 H ASP 62 H ASP 62 -2.926 2.223 -9.214 545 HA ASP 62 HA ASP 62 -0.384 3.006 -10.253 546 HB2 ASP 62 2HB ASP 62 -0.986 0.642 -10.008 547 HB3 ASP 62 1HB ASP 62 -2.336 0.858 -11.104 548 H LYS 63 H LYS 63 -3.612 3.689 -11.070 549 HA LYS 63 HA LYS 63 -2.896 4.519 -13.748 550 HB2 LYS 63 2HB LYS 63 -5.625 4.124 -12.522 551 HB3 LYS 63 1HB LYS 63 -5.300 4.481 -14.214 552 HG2 LYS 63 2HG LYS 63 -4.163 2.366 -14.478 553 HG3 LYS 63 1HG LYS 63 -4.369 2.018 -12.765 554 HD2 LYS 63 2HD LYS 63 -6.847 2.122 -13.129 555 HD3 LYS 63 1HD LYS 63 -6.527 2.245 -14.863 556 HE2 LYS 63 2HE LYS 63 -5.312 0.099 -14.773 557 HE3 LYS 63 1HE LYS 63 -5.653 0.005 -13.047 558 HZ1 LYS 63 1HZ LYS 63 -7.189 -1.327 -14.343 559 HZ2 LYS 63 2HZ LYS 63 -7.726 0.019 -15.179 560 HZ3 LYS 63 3HZ LYS 63 -8.008 -0.099 -13.538 561 H LYS 64 H LYS 64 -4.823 5.556 -10.918 562 HA LYS 64 HA LYS 64 -4.255 8.355 -11.532 563 HB2 LYS 64 2HB LYS 64 -6.581 7.537 -12.269 564 HB3 LYS 64 1HB LYS 64 -6.926 7.264 -10.579 565 HG2 LYS 64 2HG LYS 64 -6.306 9.950 -11.832 566 HG3 LYS 64 1HG LYS 64 -7.912 9.355 -11.455 567 HD2 LYS 64 2HD LYS 64 -7.288 9.316 -9.058 568 HD3 LYS 64 1HD LYS 64 -5.706 9.964 -9.481 569 HE2 LYS 64 2HE LYS 64 -8.365 11.322 -9.957 570 HE3 LYS 64 1HE LYS 64 -7.199 11.733 -8.704 571 HZ1 LYS 64 1HZ LYS 64 -5.613 12.321 -10.453 572 HZ2 LYS 64 2HZ LYS 64 -7.001 13.239 -10.554 573 HZ3 LYS 64 3HZ LYS 64 -6.762 11.981 -11.643 Start of MODEL 15 1 H1 ALA 1 1HT ALA 1 12.645 9.104 8.170 2 H2 ALA 1 2HT ALA 1 11.923 9.120 9.700 3 H3 ALA 1 3HT ALA 1 11.146 9.824 8.367 4 HA ALA 1 HA ALA 1 11.749 6.959 8.583 5 HB1 ALA 1 1HB ALA 1 10.036 7.614 10.193 6 HB2 ALA 1 2HB ALA 1 9.344 6.659 8.883 7 HB3 ALA 1 3HB ALA 1 9.125 8.411 8.909 8 H ARG 2 H ARG 2 11.422 5.879 6.749 9 HA ARG 2 HA ARG 2 10.305 7.353 4.436 10 HB2 ARG 2 2HB ARG 2 12.554 5.334 4.443 11 HB3 ARG 2 1HB ARG 2 11.823 6.012 3.003 12 HG2 ARG 2 2HG ARG 2 12.634 8.208 3.577 13 HG3 ARG 2 1HG ARG 2 13.245 7.604 5.116 14 HD2 ARG 2 2HD ARG 2 14.166 6.693 2.395 15 HD3 ARG 2 1HD ARG 2 15.029 7.818 3.442 16 HE ARG 2 HE ARG 2 14.511 5.473 4.879 17 HH11 ARG 2 1HH1 ARG 2 16.521 6.526 2.159 18 HH12 ARG 2 2HH1 ARG 2 17.768 5.428 2.481 19 HH21 ARG 2 1HH2 ARG 2 16.220 3.932 5.297 20 HH22 ARG 2 2HH2 ARG 2 17.583 3.901 4.303 21 H LYS 3 H LYS 3 10.925 4.225 5.907 22 HA LYS 3 HA LYS 3 10.033 2.236 5.791 23 HB2 LYS 3 2HB LYS 3 7.462 3.750 5.366 24 HB3 LYS 3 1HB LYS 3 7.565 2.044 5.767 25 HG2 LYS 3 2HG LYS 3 8.667 2.616 7.880 26 HG3 LYS 3 1HG LYS 3 8.533 4.329 7.470 27 HD2 LYS 3 2HD LYS 3 6.105 4.094 7.372 28 HD3 LYS 3 1HD LYS 3 6.250 2.399 7.835 29 HE2 LYS 3 2HE LYS 3 7.296 3.075 9.940 30 HE3 LYS 3 1HE LYS 3 7.143 4.767 9.470 31 HZ1 LYS 3 1HZ LYS 3 4.732 4.497 9.437 32 HZ2 LYS 3 2HZ LYS 3 5.361 4.103 10.947 33 HZ3 LYS 3 3HZ LYS 3 4.884 2.886 9.895 34 H SER 4 H SER 4 11.297 1.962 3.930 35 HA SER 4 HA SER 4 9.728 1.597 1.511 36 HB2 SER 4 2HB SER 4 12.704 1.299 1.996 37 HB3 SER 4 1HB SER 4 11.891 1.307 0.425 38 HG SER 4 HG SER 4 11.043 3.410 1.551 39 H CYS 5 H CYS 5 10.780 0.021 4.274 40 HA CYS 5 HA CYS 5 9.944 -2.528 3.183 41 HB2 CYS 5 2HB CYS 5 12.336 -2.150 5.007 42 HB3 CYS 5 1HB CYS 5 11.638 -3.690 4.536 43 H CYS 6 H CYS 6 8.440 -3.365 4.389 44 HA CYS 6 HA CYS 6 7.999 -2.438 7.127 45 HB2 CYS 6 2HB CYS 6 6.243 -3.458 4.964 46 HB3 CYS 6 1HB CYS 6 5.653 -3.176 6.609 47 H LEU 7 H LEU 7 7.488 -4.026 8.617 48 HA LEU 7 HA LEU 7 8.212 -6.776 7.861 49 HB2 LEU 7 2HB LEU 7 8.110 -5.460 10.573 50 HB3 LEU 7 1HB LEU 7 8.556 -7.126 10.282 51 HG LEU 7 HG LEU 7 10.098 -4.715 9.312 52 HD11 LEU 7 1HD1 LEU 7 11.757 -5.383 10.973 53 HD12 LEU 7 2HD1 LEU 7 10.684 -6.667 11.532 54 HD13 LEU 7 3HD1 LEU 7 10.218 -4.975 11.728 55 HD21 LEU 7 1HD2 LEU 7 10.346 -6.624 7.810 56 HD22 LEU 7 2HD2 LEU 7 10.739 -7.667 9.178 57 HD23 LEU 7 3HD2 LEU 7 11.828 -6.359 8.717 58 H LYS 8 H LYS 8 5.631 -4.763 8.890 59 HA LYS 8 HA LYS 8 3.941 -7.105 9.258 60 HB2 LYS 8 2HB LYS 8 2.671 -5.830 10.859 61 HB3 LYS 8 1HB LYS 8 4.332 -5.998 11.424 62 HG2 LYS 8 2HG LYS 8 4.790 -3.693 10.664 63 HG3 LYS 8 1HG LYS 8 3.118 -3.546 10.131 64 HD2 LYS 8 2HD LYS 8 4.034 -4.022 12.973 65 HD3 LYS 8 1HD LYS 8 3.484 -2.480 12.314 66 HE2 LYS 8 2HE LYS 8 1.824 -5.001 12.529 67 HE3 LYS 8 1HE LYS 8 1.748 -3.633 13.626 68 HZ1 LYS 8 1HZ LYS 8 -0.009 -3.648 11.946 69 HZ2 LYS 8 2HZ LYS 8 1.118 -3.471 10.714 70 HZ3 LYS 8 3HZ LYS 8 0.917 -2.247 11.856 71 H TYR 9 H TYR 9 1.707 -6.589 8.761 72 HA TYR 9 HA TYR 9 1.377 -4.410 6.815 73 HB2 TYR 9 2HB TYR 9 -0.489 -6.851 6.992 74 HB3 TYR 9 1HB TYR 9 -0.285 -5.673 5.756 75 HD1 TYR 9 1HD TYR 9 1.199 -5.939 4.022 76 HD2 TYR 9 2HD TYR 9 1.336 -8.592 7.293 77 HE1 TYR 9 1HE TYR 9 2.669 -7.442 2.736 78 HE2 TYR 9 2HE TYR 9 2.796 -10.111 6.022 79 HH TYR 9 HH TYR 9 4.209 -9.153 3.042 80 H THR 10 H THR 10 -0.676 -3.268 7.073 81 HA THR 10 HA THR 10 -1.462 -2.950 9.736 82 HB THR 10 HB THR 10 -1.626 -1.038 8.297 83 HG1 THR 10 1HG THR 10 -4.272 -1.119 8.359 84 HG21 THR 10 1HG2 THR 10 -3.208 -0.924 6.404 85 HG22 THR 10 2HG2 THR 10 -3.569 -2.640 6.616 86 HG23 THR 10 3HG2 THR 10 -1.938 -2.112 6.156 87 H LYS 11 H LYS 11 -3.213 -3.680 10.816 88 HA LYS 11 HA LYS 11 -4.573 -5.959 9.650 89 HB2 LYS 11 2HB LYS 11 -5.398 -6.425 11.876 90 HB3 LYS 11 1HB LYS 11 -3.670 -6.118 11.923 91 HG2 LYS 11 2HG LYS 11 -4.167 -3.800 12.720 92 HG3 LYS 11 1HG LYS 11 -5.869 -4.236 12.771 93 HD2 LYS 11 2HD LYS 11 -4.944 -4.459 14.987 94 HD3 LYS 11 1HD LYS 11 -5.318 -6.065 14.359 95 HE2 LYS 11 2HE LYS 11 -2.942 -6.344 13.729 96 HE3 LYS 11 1HE LYS 11 -2.595 -4.757 14.413 97 HZ1 LYS 11 1HZ LYS 11 -2.021 -6.489 15.927 98 HZ2 LYS 11 2HZ LYS 11 -3.551 -7.156 15.832 99 HZ3 LYS 11 3HZ LYS 11 -3.347 -5.650 16.582 100 H ARG 12 H ARG 12 -5.079 -2.717 9.694 101 HA ARG 12 HA ARG 12 -7.967 -3.103 9.441 102 HB2 ARG 12 2HB ARG 12 -8.322 -0.784 10.167 103 HB3 ARG 12 1HB ARG 12 -7.496 -1.725 11.400 104 HG2 ARG 12 2HG ARG 12 -5.382 -0.664 10.828 105 HG3 ARG 12 1HG ARG 12 -6.165 0.194 9.498 106 HD2 ARG 12 2HD ARG 12 -6.855 0.509 12.420 107 HD3 ARG 12 1HD ARG 12 -5.869 1.630 11.475 108 HE ARG 12 HE ARG 12 -8.511 1.068 10.444 109 HH11 ARG 12 1HH1 ARG 12 -6.559 3.262 12.414 110 HH12 ARG 12 2HH1 ARG 12 -7.642 4.565 12.280 111 HH21 ARG 12 1HH2 ARG 12 -9.992 2.854 10.280 112 HH22 ARG 12 2HH2 ARG 12 -9.637 4.336 11.048 113 HA PRO 13 HA PRO 13 -7.298 -1.774 5.215 114 HB2 PRO 13 2HB PRO 13 -10.180 -1.090 5.321 115 HB3 PRO 13 1HB PRO 13 -9.325 -2.168 4.209 116 HG2 PRO 13 2HG PRO 13 -10.903 -3.153 6.107 117 HG3 PRO 13 1HG PRO 13 -9.371 -3.946 5.697 118 HD2 PRO 13 2HD PRO 13 -10.013 -2.154 8.003 119 HD3 PRO 13 1HD PRO 13 -9.069 -3.667 7.956 120 H LEU 14 H LEU 14 -7.089 0.123 4.151 121 HA LEU 14 HA LEU 14 -7.466 2.615 5.666 122 HB2 LEU 14 2HB LEU 14 -5.228 1.569 4.622 123 HB3 LEU 14 1HB LEU 14 -5.879 2.223 3.161 124 HG LEU 14 HG LEU 14 -4.916 3.704 5.576 125 HD11 LEU 14 1HD1 LEU 14 -4.030 3.629 2.733 126 HD12 LEU 14 2HD1 LEU 14 -3.213 2.916 4.126 127 HD13 LEU 14 3HD1 LEU 14 -3.366 4.667 3.992 128 HD21 LEU 14 1HD2 LEU 14 -6.853 4.921 4.801 129 HD22 LEU 14 2HD2 LEU 14 -6.224 4.901 3.131 130 HD23 LEU 14 3HD2 LEU 14 -5.330 5.732 4.409 131 HA PRO 15 HA PRO 15 -10.699 3.098 2.389 132 HB2 PRO 15 2HB PRO 15 -10.526 5.972 3.130 133 HB3 PRO 15 1HB PRO 15 -11.948 4.928 3.051 134 HG2 PRO 15 2HG PRO 15 -10.973 5.650 5.400 135 HG3 PRO 15 1HG PRO 15 -11.532 3.988 5.144 136 HD2 PRO 15 2HD PRO 15 -8.751 5.070 5.160 137 HD3 PRO 15 1HD PRO 15 -9.370 3.579 5.910 138 H LEU 16 H LEU 16 -10.420 3.442 0.288 139 HA LEU 16 HA LEU 16 -7.923 4.231 -0.733 140 HB2 LEU 16 2HB LEU 16 -9.093 2.583 -1.883 141 HB3 LEU 16 1HB LEU 16 -10.519 3.639 -2.090 142 HG LEU 16 HG LEU 16 -9.042 4.967 -3.594 143 HD11 LEU 16 1HD1 LEU 16 -7.026 3.824 -4.449 144 HD12 LEU 16 2HD1 LEU 16 -7.213 2.603 -3.198 145 HD13 LEU 16 3HD1 LEU 16 -6.874 4.276 -2.755 146 HD21 LEU 16 1HD2 LEU 16 -9.539 2.086 -4.190 147 HD22 LEU 16 2HD2 LEU 16 -9.242 3.363 -5.395 148 HD23 LEU 16 3HD2 LEU 16 -10.666 3.451 -4.337 149 H LYS 17 H LYS 17 -10.886 5.893 -0.427 150 HA LYS 17 HA LYS 17 -10.379 8.049 -2.150 151 HB2 LYS 17 2HB LYS 17 -12.107 7.943 0.315 152 HB3 LYS 17 1HB LYS 17 -12.146 9.229 -0.882 153 HG2 LYS 17 2HG LYS 17 -12.847 7.632 -2.590 154 HG3 LYS 17 1HG LYS 17 -12.794 6.334 -1.399 155 HD2 LYS 17 2HD LYS 17 -14.530 7.472 -0.096 156 HD3 LYS 17 1HD LYS 17 -14.579 8.765 -1.294 157 HE2 LYS 17 2HE LYS 17 -15.262 7.160 -3.011 158 HE3 LYS 17 1HE LYS 17 -15.197 5.860 -1.822 159 HZ1 LYS 17 1HZ LYS 17 -17.455 6.655 -2.172 160 HZ2 LYS 17 2HZ LYS 17 -17.017 8.207 -1.701 161 HZ3 LYS 17 3HZ LYS 17 -16.961 6.948 -0.592 162 H ARG 18 H ARG 18 -8.800 7.214 0.591 163 HA ARG 18 HA ARG 18 -7.976 10.025 1.144 164 HB2 ARG 18 2HB ARG 18 -7.944 7.821 3.209 165 HB3 ARG 18 1HB ARG 18 -7.676 9.535 3.479 166 HG2 ARG 18 2HG ARG 18 -10.057 9.908 2.699 167 HG3 ARG 18 1HG ARG 18 -10.256 8.162 2.773 168 HD2 ARG 18 2HD ARG 18 -11.078 9.015 4.817 169 HD3 ARG 18 1HD ARG 18 -9.500 8.312 5.184 170 HE ARG 18 HE ARG 18 -9.203 11.026 4.544 171 HH11 ARG 18 1HH1 ARG 18 -10.328 8.987 7.196 172 HH12 ARG 18 2HH1 ARG 18 -10.162 10.206 8.381 173 HH21 ARG 18 1HH2 ARG 18 -9.077 12.691 6.127 174 HH22 ARG 18 2HH2 ARG 18 -9.467 12.371 7.756 175 H ILE 19 H ILE 19 -6.870 7.621 -0.480 176 HA ILE 19 HA ILE 19 -4.152 7.561 0.657 177 HB ILE 19 HB ILE 19 -5.328 5.738 -1.484 178 HG12 ILE 19 2HG1 ILE 19 -4.783 5.065 1.397 179 HG13 ILE 19 1HG1 ILE 19 -6.397 5.462 0.836 180 HG21 ILE 19 1HG2 ILE 19 -2.775 5.548 0.146 181 HG22 ILE 19 2HG2 ILE 19 -2.874 5.907 -1.574 182 HG23 ILE 19 3HG2 ILE 19 -3.340 4.317 -0.953 183 HD11 ILE 19 1HD1 ILE 19 -6.251 3.525 -0.734 184 HD12 ILE 19 2HD1 ILE 19 -6.104 3.059 0.963 185 HD13 ILE 19 3HD1 ILE 19 -4.690 3.185 -0.104 186 H LYS 20 H LYS 20 -2.475 8.381 -0.548 187 HA LYS 20 HA LYS 20 -3.175 9.840 -2.952 188 HB2 LYS 20 2HB LYS 20 -0.619 9.889 -1.335 189 HB3 LYS 20 1HB LYS 20 -0.965 10.916 -2.702 190 HG2 LYS 20 2HG LYS 20 -2.348 10.890 -0.091 191 HG3 LYS 20 1HG LYS 20 -1.289 12.145 -0.744 192 HD2 LYS 20 2HD LYS 20 -3.962 11.262 -1.686 193 HD3 LYS 20 1HD LYS 20 -3.585 12.801 -0.936 194 HE2 LYS 20 2HE LYS 20 -2.556 11.936 -3.670 195 HE3 LYS 20 1HE LYS 20 -3.821 13.119 -3.388 196 HZ1 LYS 20 1HZ LYS 20 -2.166 14.511 -2.234 197 HZ2 LYS 20 2HZ LYS 20 -1.774 14.215 -3.830 198 HZ3 LYS 20 3HZ LYS 20 -0.955 13.388 -2.606 199 H SER 21 H SER 21 -0.922 7.267 -1.882 200 HA SER 21 HA SER 21 -0.652 6.152 -4.446 201 HB2 SER 21 2HB SER 21 1.762 6.696 -4.784 202 HB3 SER 21 1HB SER 21 0.712 8.109 -4.923 203 HG SER 21 HG SER 21 2.321 8.760 -3.679 204 H TYR 22 H TYR 22 1.247 4.493 -4.369 205 HA TYR 22 HA TYR 22 1.834 3.686 -1.615 206 HB2 TYR 22 2HB TYR 22 1.434 1.372 -2.150 207 HB3 TYR 22 1HB TYR 22 -0.035 2.297 -2.388 208 HD1 TYR 22 1HD TYR 22 -1.161 2.144 -4.382 209 HD2 TYR 22 2HD TYR 22 2.827 0.766 -4.252 210 HE1 TYR 22 1HE TYR 22 -1.415 1.182 -6.617 211 HE2 TYR 22 2HE TYR 22 2.581 -0.189 -6.503 212 HH TYR 22 HH TYR 22 -0.147 0.533 -8.451 213 H THR 23 H THR 23 3.514 2.118 -1.532 214 HA THR 23 HA THR 23 5.514 2.480 -3.650 215 HB THR 23 HB THR 23 5.926 2.048 -0.689 216 HG1 THR 23 1HG THR 23 5.219 4.180 -1.899 217 HG21 THR 23 1HG2 THR 23 7.679 1.099 -2.100 218 HG22 THR 23 2HG2 THR 23 8.298 2.481 -1.180 219 HG23 THR 23 3HG2 THR 23 7.902 2.649 -2.901 220 H ILE 24 H ILE 24 6.269 0.572 -4.528 221 HA ILE 24 HA ILE 24 5.091 -1.871 -3.536 222 HB ILE 24 HB ILE 24 6.840 -1.417 -5.974 223 HG12 ILE 24 2HG1 ILE 24 3.860 -1.849 -5.713 224 HG13 ILE 24 1HG1 ILE 24 4.648 -0.317 -6.075 225 HG21 ILE 24 1HG2 ILE 24 5.279 -3.864 -5.119 226 HG22 ILE 24 2HG2 ILE 24 7.037 -3.716 -5.159 227 HG23 ILE 24 3HG2 ILE 24 6.111 -3.667 -6.662 228 HD11 ILE 24 1HD1 ILE 24 4.702 -2.781 -7.798 229 HD12 ILE 24 2HD1 ILE 24 5.475 -1.241 -8.170 230 HD13 ILE 24 3HD1 ILE 24 3.713 -1.345 -8.074 231 H GLN 25 H GLN 25 6.051 -2.760 -1.885 232 HA GLN 25 HA GLN 25 8.938 -2.800 -1.681 233 HB2 GLN 25 2HB GLN 25 7.856 -2.333 0.341 234 HB3 GLN 25 1HB GLN 25 6.699 -3.627 0.185 235 HG2 GLN 25 2HG GLN 25 8.534 -5.228 0.446 236 HG3 GLN 25 1HG GLN 25 9.632 -3.871 0.704 237 HE21 GLN 25 1HE2 GLN 25 8.787 -6.054 2.461 238 HE22 GLN 25 2HE2 GLN 25 8.248 -5.312 3.903 239 H SER 26 H SER 26 10.009 -4.374 -2.619 240 HA SER 26 HA SER 26 8.619 -6.879 -3.120 241 HB2 SER 26 2HB SER 26 9.658 -5.764 -5.070 242 HB3 SER 26 1HB SER 26 11.222 -5.843 -4.258 243 HG SER 26 HG SER 26 10.293 -7.591 -5.830 244 H ASN 27 H ASN 27 9.567 -8.819 -2.523 245 HA ASN 27 HA ASN 27 11.014 -8.646 -0.052 246 HB2 ASN 27 2HB ASN 27 10.741 -11.108 0.095 247 HB3 ASN 27 1HB ASN 27 9.222 -10.279 -0.193 248 HD21 ASN 27 1HD2 ASN 27 8.169 -10.563 -2.155 249 HD22 ASN 27 2HD2 ASN 27 8.620 -11.790 -3.262 250 H GLU 28 H GLU 28 12.000 -8.536 -3.123 251 HA GLU 28 HA GLU 28 14.416 -10.015 -2.988 252 HB2 GLU 28 2HB GLU 28 13.602 -7.665 -4.700 253 HB3 GLU 28 1HB GLU 28 15.094 -8.571 -4.906 254 HG2 GLU 28 2HG GLU 28 12.325 -9.719 -5.129 255 HG3 GLU 28 1HG GLU 28 13.353 -9.254 -6.483 256 H ALA 29 H ALA 29 13.454 -6.764 -2.063 257 HA ALA 29 HA ALA 29 16.209 -6.197 -1.179 258 HB1 ALA 29 1HB ALA 29 15.588 -3.833 -1.213 259 HB2 ALA 29 2HB ALA 29 13.951 -4.270 -1.701 260 HB3 ALA 29 3HB ALA 29 15.306 -4.593 -2.781 261 H CYS 30 H CYS 30 12.920 -6.517 -0.137 262 HA CYS 30 HA CYS 30 13.684 -5.845 2.630 263 HB2 CYS 30 2HB CYS 30 10.951 -5.921 1.355 264 HB3 CYS 30 1HB CYS 30 11.350 -5.365 2.977 265 H ASN 31 H ASN 31 12.355 -7.210 4.229 266 HA ASN 31 HA ASN 31 12.994 -9.920 3.678 267 HB2 ASN 31 2HB ASN 31 13.041 -8.925 5.981 268 HB3 ASN 31 1HB ASN 31 11.286 -8.845 5.947 269 HD21 ASN 31 1HD2 ASN 31 10.092 -10.736 6.336 270 HD22 ASN 31 2HD2 ASN 31 10.820 -12.209 6.797 271 H ILE 32 H ILE 32 9.960 -8.137 3.737 272 HA ILE 32 HA ILE 32 8.666 -10.457 2.433 273 HB ILE 32 HB ILE 32 6.535 -9.853 3.476 274 HG12 ILE 32 2HG1 ILE 32 8.095 -7.719 4.958 275 HG13 ILE 32 1HG1 ILE 32 6.939 -7.417 3.667 276 HG21 ILE 32 1HG2 ILE 32 8.764 -10.035 5.439 277 HG22 ILE 32 2HG2 ILE 32 7.993 -11.415 4.654 278 HG23 ILE 32 3HG2 ILE 32 7.071 -10.410 5.798 279 HD11 ILE 32 1HD1 ILE 32 6.330 -8.641 6.347 280 HD12 ILE 32 2HD1 ILE 32 5.157 -8.344 5.064 281 HD13 ILE 32 3HD1 ILE 32 5.972 -6.988 5.849 282 H LYS 33 H LYS 33 6.534 -9.643 1.363 283 HA LYS 33 HA LYS 33 7.091 -7.172 -0.091 284 HB2 LYS 33 2HB LYS 33 6.786 -9.171 -1.508 285 HB3 LYS 33 1HB LYS 33 5.244 -9.495 -0.734 286 HG2 LYS 33 2HG LYS 33 4.322 -7.440 -1.667 287 HG3 LYS 33 1HG LYS 33 5.879 -7.064 -2.395 288 HD2 LYS 33 2HD LYS 33 5.740 -9.061 -3.781 289 HD3 LYS 33 1HD LYS 33 4.204 -9.495 -3.032 290 HE2 LYS 33 2HE LYS 33 3.194 -7.442 -3.899 291 HE3 LYS 33 1HE LYS 33 4.733 -6.985 -4.627 292 HZ1 LYS 33 1HZ LYS 33 3.127 -9.385 -5.338 293 HZ2 LYS 33 2HZ LYS 33 4.604 -8.943 -6.027 294 HZ3 LYS 33 3HZ LYS 33 3.260 -7.966 -6.252 295 H ALA 34 H ALA 34 6.076 -5.475 0.782 296 HA ALA 34 HA ALA 34 3.303 -5.744 1.633 297 HB1 ALA 34 1HB ALA 34 4.645 -5.931 3.708 298 HB2 ALA 34 2HB ALA 34 3.765 -4.415 3.678 299 HB3 ALA 34 3HB ALA 34 5.482 -4.439 3.300 300 H ILE 35 H ILE 35 2.283 -4.354 0.321 301 HA ILE 35 HA ILE 35 3.619 -2.187 -0.946 302 HB ILE 35 HB ILE 35 0.653 -2.745 -0.659 303 HG12 ILE 35 2HG1 ILE 35 1.910 -4.557 -1.706 304 HG13 ILE 35 1HG1 ILE 35 0.816 -3.787 -2.861 305 HG21 ILE 35 1HG2 ILE 35 0.386 -1.283 -2.669 306 HG22 ILE 35 2HG2 ILE 35 2.092 -0.909 -2.591 307 HG23 ILE 35 3HG2 ILE 35 1.030 -0.418 -1.281 308 HD11 ILE 35 1HD1 ILE 35 2.870 -4.313 -3.911 309 HD12 ILE 35 2HD1 ILE 35 3.812 -3.479 -2.658 310 HD13 ILE 35 3HD1 ILE 35 2.772 -2.563 -3.762 311 H ILE 36 H ILE 36 3.981 -0.172 -0.177 312 HA ILE 36 HA ILE 36 2.829 0.426 2.434 313 HB ILE 36 HB ILE 36 5.005 2.008 1.014 314 HG12 ILE 36 2HG1 ILE 36 6.523 0.989 2.852 315 HG13 ILE 36 1HG1 ILE 36 5.270 -0.232 3.011 316 HG21 ILE 36 1HG2 ILE 36 3.826 3.311 2.633 317 HG22 ILE 36 2HG2 ILE 36 5.471 2.939 3.168 318 HG23 ILE 36 3HG2 ILE 36 4.102 2.055 3.860 319 HD11 ILE 36 1HD1 ILE 36 5.598 -0.838 0.698 320 HD12 ILE 36 2HD1 ILE 36 7.106 -0.934 1.640 321 HD13 ILE 36 3HD1 ILE 36 6.810 0.441 0.559 322 H PHE 37 H PHE 37 1.036 1.461 2.366 323 HA PHE 37 HA PHE 37 0.206 3.127 0.188 324 HB2 PHE 37 2HB PHE 37 -0.953 2.132 2.750 325 HB3 PHE 37 1HB PHE 37 -1.751 3.423 1.854 326 HD1 PHE 37 1HD PHE 37 -0.029 0.426 0.551 327 HD2 PHE 37 2HD PHE 37 -3.648 2.425 1.186 328 HE1 PHE 37 1HE PHE 37 -1.231 -1.270 -0.876 329 HE2 PHE 37 2HE PHE 37 -4.847 0.784 -0.202 330 HZ PHE 37 HZ PHE 37 -3.635 -1.047 -1.223 331 H THR 38 H THR 38 0.004 5.273 0.273 332 HA THR 38 HA THR 38 0.822 6.552 2.769 333 HB THR 38 HB THR 38 1.376 7.604 -0.025 334 HG1 THR 38 1HG THR 38 2.592 5.765 1.499 335 HG21 THR 38 1HG2 THR 38 1.136 9.277 1.732 336 HG22 THR 38 2HG2 THR 38 2.824 9.181 1.200 337 HG23 THR 38 3HG2 THR 38 2.314 8.428 2.719 338 H THR 39 H THR 39 -0.551 8.150 3.498 339 HA THR 39 HA THR 39 -3.060 8.340 2.057 340 HB THR 39 HB THR 39 -3.793 9.561 4.131 341 HG1 THR 39 1HG THR 39 -2.369 8.886 5.964 342 HG21 THR 39 1HG2 THR 39 -4.335 7.257 3.699 343 HG22 THR 39 2HG2 THR 39 -4.035 7.480 5.424 344 HG23 THR 39 3HG2 THR 39 -2.802 6.736 4.396 345 H LYS 40 H LYS 40 -4.149 10.560 2.384 346 HA LYS 40 HA LYS 40 -2.575 12.502 1.066 347 HB2 LYS 40 2HB LYS 40 -5.042 13.010 2.665 348 HB3 LYS 40 1HB LYS 40 -4.491 13.959 1.284 349 HG2 LYS 40 2HG LYS 40 -4.897 11.579 -0.010 350 HG3 LYS 40 1HG LYS 40 -5.872 11.337 1.386 351 HD2 LYS 40 2HD LYS 40 -7.265 13.217 0.949 352 HD3 LYS 40 1HD LYS 40 -6.175 13.723 -0.352 353 HE2 LYS 40 2HE LYS 40 -6.673 11.770 -1.634 354 HE3 LYS 40 1HE LYS 40 -7.691 11.122 -0.366 355 HZ1 LYS 40 1HZ LYS 40 -9.170 13.047 -0.678 356 HZ2 LYS 40 2HZ LYS 40 -9.020 12.108 -2.066 357 HZ3 LYS 40 3HZ LYS 40 -8.205 13.577 -1.951 358 H LYS 41 H LYS 41 -2.871 11.599 4.318 359 HA LYS 41 HA LYS 41 -1.833 14.040 5.442 360 HB2 LYS 41 2HB LYS 41 -2.090 11.242 6.593 361 HB3 LYS 41 1HB LYS 41 -1.391 12.573 7.483 362 HG2 LYS 41 2HG LYS 41 -3.647 12.223 8.217 363 HG3 LYS 41 1HG LYS 41 -3.569 13.748 7.353 364 HD2 LYS 41 2HD LYS 41 -4.516 12.659 5.367 365 HD3 LYS 41 1HD LYS 41 -4.586 11.128 6.245 366 HE2 LYS 41 2HE LYS 41 -6.764 12.239 6.249 367 HE3 LYS 41 1HE LYS 41 -6.105 12.120 7.873 368 HZ1 LYS 41 1HZ LYS 41 -6.043 14.550 6.160 369 HZ2 LYS 41 2HZ LYS 41 -5.401 14.456 7.708 370 HZ3 LYS 41 3HZ LYS 41 -7.041 14.302 7.476 371 H GLY 42 H GLY 42 -0.685 11.531 3.609 372 HA2 GLY 42 2HA GLY 42 1.388 11.176 2.777 373 HA3 GLY 42 1HA GLY 42 1.990 12.442 3.821 374 H ARG 43 H ARG 43 0.206 10.040 5.366 375 HA ARG 43 HA ARG 43 2.534 9.093 6.791 376 HB2 ARG 43 2HB ARG 43 -0.344 8.319 6.976 377 HB3 ARG 43 1HB ARG 43 0.904 7.776 8.099 378 HG2 ARG 43 2HG ARG 43 1.307 10.153 8.702 379 HG3 ARG 43 1HG ARG 43 -0.042 10.606 7.665 380 HD2 ARG 43 2HD ARG 43 -1.532 9.206 9.072 381 HD3 ARG 43 1HD ARG 43 -0.163 8.863 10.123 382 HE ARG 43 HE ARG 43 -0.505 11.643 9.785 383 HH11 ARG 43 1HH1 ARG 43 -1.750 8.887 11.612 384 HH12 ARG 43 2HH1 ARG 43 -2.435 9.837 12.850 385 HH21 ARG 43 1HH2 ARG 43 -1.441 12.954 11.506 386 HH22 ARG 43 2HH2 ARG 43 -2.266 12.197 12.779 387 H LYS 44 H LYS 44 3.094 6.863 7.005 388 HA LYS 44 HA LYS 44 2.726 5.443 4.480 389 HB2 LYS 44 2HB LYS 44 4.779 5.226 6.651 390 HB3 LYS 44 1HB LYS 44 4.766 4.206 5.210 391 HG2 LYS 44 2HG LYS 44 5.093 7.210 5.258 392 HG3 LYS 44 1HG LYS 44 6.409 6.047 5.083 393 HD2 LYS 44 2HD LYS 44 5.370 5.228 3.003 394 HD3 LYS 44 1HD LYS 44 4.090 6.423 3.185 395 HE2 LYS 44 2HE LYS 44 5.672 8.230 2.970 396 HE3 LYS 44 1HE LYS 44 7.023 7.095 2.932 397 HZ1 LYS 44 1HZ LYS 44 6.187 6.209 0.877 398 HZ2 LYS 44 2HZ LYS 44 6.432 7.861 0.720 399 HZ3 LYS 44 3HZ LYS 44 4.854 7.257 0.908 400 H ILE 45 H ILE 45 1.356 3.827 4.494 401 HA ILE 45 HA ILE 45 0.833 2.374 7.000 402 HB ILE 45 HB ILE 45 -1.032 2.657 4.622 403 HG12 ILE 45 2HG1 ILE 45 -2.544 3.942 6.270 404 HG13 ILE 45 1HG1 ILE 45 -1.099 4.119 7.283 405 HG21 ILE 45 1HG2 ILE 45 -1.491 1.416 7.321 406 HG22 ILE 45 2HG2 ILE 45 -1.344 0.583 5.771 407 HG23 ILE 45 3HG2 ILE 45 -2.726 1.636 6.079 408 HD11 ILE 45 1HD1 ILE 45 -1.608 6.082 5.987 409 HD12 ILE 45 2HD1 ILE 45 -1.519 5.152 4.509 410 HD13 ILE 45 3HD1 ILE 45 -0.053 5.389 5.473 411 H CYS 46 H CYS 46 1.834 0.471 6.880 412 HA CYS 46 HA CYS 46 2.592 -0.779 4.396 413 HB2 CYS 46 2HB CYS 46 2.618 -1.831 7.224 414 HB3 CYS 46 1HB CYS 46 3.497 -2.553 5.897 415 H ALA 47 H ALA 47 1.092 -1.849 3.152 416 HA ALA 47 HA ALA 47 -1.082 -3.156 4.631 417 HB1 ALA 47 1HB ALA 47 -1.218 -1.947 1.879 418 HB2 ALA 47 2HB ALA 47 -1.843 -1.211 3.356 419 HB3 ALA 47 3HB ALA 47 -2.543 -2.714 2.754 420 H ASN 48 H ASN 48 -1.858 -5.124 3.926 421 HA ASN 48 HA ASN 48 0.078 -6.810 2.718 422 HB2 ASN 48 2HB ASN 48 -1.105 -7.697 4.514 423 HB3 ASN 48 1HB ASN 48 -2.674 -7.279 3.890 424 HD21 ASN 48 1HD2 ASN 48 0.040 -8.873 2.240 425 HD22 ASN 48 2HD2 ASN 48 -0.868 -10.341 1.946 426 HA PRO 49 HA PRO 49 -1.342 -5.976 -1.459 427 HB2 PRO 49 2HB PRO 49 0.321 -7.814 -2.615 428 HB3 PRO 49 1HB PRO 49 0.786 -6.155 -2.257 429 HG2 PRO 49 2HG PRO 49 1.353 -8.654 -0.729 430 HG3 PRO 49 1HG PRO 49 2.384 -7.237 -0.990 431 HD2 PRO 49 2HD PRO 49 1.118 -7.661 1.323 432 HD3 PRO 49 1HD PRO 49 1.359 -6.025 0.689 433 H ASN 50 H ASN 50 -1.311 -8.927 0.246 434 HA ASN 50 HA ASN 50 -2.636 -10.442 -1.767 435 HB2 ASN 50 2HB ASN 50 -2.328 -11.088 1.161 436 HB3 ASN 50 1HB ASN 50 -2.923 -12.167 -0.093 437 HD21 ASN 50 1HD2 ASN 50 -0.968 -11.237 -2.079 438 HD22 ASN 50 2HD2 ASN 50 0.536 -11.910 -1.601 439 H GLU 51 H GLU 51 -3.650 -8.055 0.371 440 HA GLU 51 HA GLU 51 -6.216 -9.204 0.929 441 HB2 GLU 51 2HB GLU 51 -5.326 -6.366 1.375 442 HB3 GLU 51 1HB GLU 51 -6.808 -7.092 1.974 443 HG2 GLU 51 2HG GLU 51 -5.145 -8.788 3.143 444 HG3 GLU 51 1HG GLU 51 -4.024 -7.539 2.703 445 H LYS 52 H LYS 52 -8.020 -8.923 0.002 446 HA LYS 52 HA LYS 52 -8.257 -8.356 -2.690 447 HB2 LYS 52 2HB LYS 52 -9.809 -9.738 -1.391 448 HB3 LYS 52 1HB LYS 52 -10.385 -8.317 -0.551 449 HG2 LYS 52 2HG LYS 52 -11.343 -7.464 -2.620 450 HG3 LYS 52 1HG LYS 52 -10.715 -8.866 -3.493 451 HD2 LYS 52 2HD LYS 52 -12.049 -10.353 -2.095 452 HD3 LYS 52 1HD LYS 52 -12.667 -8.971 -1.191 453 HE2 LYS 52 2HE LYS 52 -13.721 -8.129 -3.229 454 HE3 LYS 52 1HE LYS 52 -13.081 -9.495 -4.131 455 HZ1 LYS 52 1HZ LYS 52 -14.948 -9.713 -1.838 456 HZ2 LYS 52 2HZ LYS 52 -14.436 -10.990 -2.817 457 HZ3 LYS 52 3HZ LYS 52 -15.409 -9.765 -3.446 458 H TRP 53 H TRP 53 -8.725 -6.150 0.047 459 HA TRP 53 HA TRP 53 -9.838 -4.068 -1.568 460 HB2 TRP 53 2HB TRP 53 -9.697 -2.604 0.370 461 HB3 TRP 53 1HB TRP 53 -10.248 -4.184 0.894 462 HD1 TRP 53 HD TRP 53 -8.448 -5.643 2.421 463 HE1 TRP 53 1HE TRP 53 -6.534 -4.867 3.892 464 HE3 TRP 53 3HE TRP 53 -7.862 -0.904 0.582 465 HZ2 TRP 53 2HZ TRP 53 -4.940 -2.577 4.255 466 HZ3 TRP 53 3HZ TRP 53 -6.100 0.502 1.556 467 HH2 TRP 53 HH TRP 53 -4.673 -0.319 3.353 468 H VAL 54 H VAL 54 -6.614 -4.897 -0.535 469 HA VAL 54 HA VAL 54 -5.319 -2.510 -1.330 470 HB VAL 54 HB VAL 54 -4.228 -5.314 -0.913 471 HG11 VAL 54 1HG1 VAL 54 -2.704 -2.736 -1.316 472 HG12 VAL 54 2HG1 VAL 54 -2.714 -4.114 -2.409 473 HG13 VAL 54 3HG1 VAL 54 -1.993 -4.246 -0.794 474 HG21 VAL 54 1HG2 VAL 54 -4.107 -2.843 0.792 475 HG22 VAL 54 2HG2 VAL 54 -3.383 -4.406 1.171 476 HG23 VAL 54 3HG2 VAL 54 -5.137 -4.244 1.072 477 H GLN 55 H GLN 55 -6.078 -5.503 -2.895 478 HA GLN 55 HA GLN 55 -4.505 -5.015 -5.161 479 HB2 GLN 55 2HB GLN 55 -6.891 -6.825 -4.935 480 HB3 GLN 55 1HB GLN 55 -5.648 -6.879 -6.188 481 HG2 GLN 55 2HG GLN 55 -3.979 -7.113 -4.301 482 HG3 GLN 55 1HG GLN 55 -5.367 -7.443 -3.273 483 HE21 GLN 55 1HE2 GLN 55 -3.173 -8.999 -3.858 484 HE22 GLN 55 2HE2 GLN 55 -3.673 -10.465 -4.602 485 H LYS 56 H LYS 56 -7.794 -4.119 -4.329 486 HA LYS 56 HA LYS 56 -8.337 -3.036 -6.926 487 HB2 LYS 56 2HB LYS 56 -9.670 -2.525 -4.263 488 HB3 LYS 56 1HB LYS 56 -10.165 -1.729 -5.746 489 HG2 LYS 56 2HG LYS 56 -10.652 -3.960 -6.714 490 HG3 LYS 56 1HG LYS 56 -10.271 -4.673 -5.144 491 HD2 LYS 56 2HD LYS 56 -12.053 -3.437 -4.085 492 HD3 LYS 56 1HD LYS 56 -12.372 -2.548 -5.573 493 HE2 LYS 56 2HE LYS 56 -14.028 -4.294 -5.258 494 HE3 LYS 56 1HE LYS 56 -13.036 -4.641 -6.667 495 HZ1 LYS 56 1HZ LYS 56 -11.748 -6.190 -5.272 496 HZ2 LYS 56 2HZ LYS 56 -13.373 -6.587 -5.427 497 HZ3 LYS 56 3HZ LYS 56 -12.834 -5.893 -3.992 498 H ALA 57 H ALA 57 -7.155 -1.760 -3.867 499 HA ALA 57 HA ALA 57 -7.073 0.932 -4.549 500 HB1 ALA 57 1HB ALA 57 -5.421 1.180 -2.767 501 HB2 ALA 57 2HB ALA 57 -5.231 -0.563 -2.665 502 HB3 ALA 57 3HB ALA 57 -6.780 0.208 -2.240 503 H MET 58 H MET 58 -4.555 -1.565 -4.894 504 HA MET 58 HA MET 58 -2.658 0.107 -5.845 505 HB2 MET 58 2HB MET 58 -2.986 -2.833 -6.289 506 HB3 MET 58 1HB MET 58 -1.602 -1.978 -6.940 507 HG2 MET 58 2HG MET 58 -1.205 -1.168 -4.557 508 HG3 MET 58 1HG MET 58 -2.388 -2.376 -4.078 509 HE1 MET 58 1HE MET 58 -0.592 -5.691 -5.165 510 HE2 MET 58 2HE MET 58 -1.765 -4.792 -6.138 511 HE3 MET 58 3HE MET 58 -2.038 -5.027 -4.400 512 H LYS 59 H LYS 59 -5.097 -1.608 -7.673 513 HA LYS 59 HA LYS 59 -4.180 -0.883 -10.242 514 HB2 LYS 59 2HB LYS 59 -6.966 -1.506 -9.278 515 HB3 LYS 59 1HB LYS 59 -6.508 -1.375 -10.968 516 HG2 LYS 59 2HG LYS 59 -5.024 -3.264 -10.749 517 HG3 LYS 59 1HG LYS 59 -5.368 -3.357 -9.016 518 HD2 LYS 59 2HD LYS 59 -7.707 -3.849 -9.497 519 HD3 LYS 59 1HD LYS 59 -7.389 -3.712 -11.228 520 HE2 LYS 59 2HE LYS 59 -7.451 -6.044 -10.488 521 HE3 LYS 59 1HE LYS 59 -5.865 -5.589 -11.119 522 HZ1 LYS 59 1HZ LYS 59 -6.606 -5.757 -8.255 523 HZ2 LYS 59 2HZ LYS 59 -5.098 -5.317 -8.859 524 HZ3 LYS 59 3HZ LYS 59 -5.665 -6.879 -9.107 525 H HIS 60 H HIS 60 -6.374 0.704 -7.969 526 HA HIS 60 HA HIS 60 -7.185 2.742 -9.757 527 HB2 HIS 60 2HB HIS 60 -8.599 2.038 -7.926 528 HB3 HIS 60 1HB HIS 60 -7.358 2.437 -6.755 529 HD1 HIS 60 1HD HIS 60 -10.000 3.978 -8.905 530 HD2 HIS 60 2HD HIS 60 -7.271 5.035 -6.000 531 HE1 HIS 60 1HE HIS 60 -10.631 6.304 -8.272 532 HE2 HIS 60 2HE HIS 60 -9.207 6.771 -6.262 533 H LEU 61 H LEU 61 -4.683 2.430 -7.322 534 HA LEU 61 HA LEU 61 -3.846 5.160 -7.512 535 HB2 LEU 61 2HB LEU 61 -2.575 2.761 -6.226 536 HB3 LEU 61 1HB LEU 61 -1.956 4.396 -6.092 537 HG LEU 61 HG LEU 61 -4.683 3.528 -5.125 538 HD11 LEU 61 1HD1 LEU 61 -2.124 3.936 -3.583 539 HD12 LEU 61 2HD1 LEU 61 -2.996 2.407 -3.825 540 HD13 LEU 61 3HD1 LEU 61 -3.728 3.700 -2.890 541 HD21 LEU 61 1HD2 LEU 61 -3.089 6.049 -4.690 542 HD22 LEU 61 2HD2 LEU 61 -4.628 5.671 -3.921 543 HD23 LEU 61 3HD2 LEU 61 -4.548 5.903 -5.669 544 H ASP 62 H ASP 62 -2.973 2.190 -9.140 545 HA ASP 62 HA ASP 62 -0.496 3.195 -10.235 546 HB2 ASP 62 2HB ASP 62 -0.969 0.763 -9.993 547 HB3 ASP 62 1HB ASP 62 -2.269 0.915 -11.160 548 H LYS 63 H LYS 63 -3.838 3.089 -11.152 549 HA LYS 63 HA LYS 63 -3.319 4.533 -13.606 550 HB2 LYS 63 2HB LYS 63 -5.775 3.092 -12.585 551 HB3 LYS 63 1HB LYS 63 -5.683 3.903 -14.143 552 HG2 LYS 63 2HG LYS 63 -3.863 2.362 -14.798 553 HG3 LYS 63 1HG LYS 63 -4.042 1.534 -13.262 554 HD2 LYS 63 2HD LYS 63 -6.217 1.804 -15.333 555 HD3 LYS 63 1HD LYS 63 -5.196 0.381 -15.129 556 HE2 LYS 63 2HE LYS 63 -6.071 0.093 -12.854 557 HE3 LYS 63 1HE LYS 63 -7.069 1.530 -13.056 558 HZ1 LYS 63 1HZ LYS 63 -7.305 -0.955 -14.678 559 HZ2 LYS 63 2HZ LYS 63 -8.256 0.417 -14.836 560 HZ3 LYS 63 3HZ LYS 63 -8.338 -0.507 -13.435 561 H LYS 64 H LYS 64 -2.890 5.799 -11.321 562 HA LYS 64 HA LYS 64 -4.772 7.019 -9.796 563 HB2 LYS 64 2HB LYS 64 -2.354 7.028 -9.422 564 HB3 LYS 64 1HB LYS 64 -2.153 8.165 -10.740 565 HG2 LYS 64 2HG LYS 64 -3.395 9.846 -9.488 566 HG3 LYS 64 1HG LYS 64 -3.640 8.688 -8.173 567 HD2 LYS 64 2HD LYS 64 -1.205 8.501 -7.904 568 HD3 LYS 64 1HD LYS 64 -0.983 9.690 -9.186 569 HE2 LYS 64 2HE LYS 64 -2.156 11.353 -7.849 570 HE3 LYS 64 1HE LYS 64 -2.404 10.161 -6.570 571 HZ1 LYS 64 1HZ LYS 64 0.214 11.173 -7.531 572 HZ2 LYS 64 2HZ LYS 64 0.028 10.001 -6.349 573 HZ3 LYS 64 3HZ LYS 64 -0.514 11.574 -6.078 Start of MODEL 16 1 H1 ALA 1 1HT ALA 1 14.912 9.354 4.733 2 H2 ALA 1 2HT ALA 1 15.577 9.388 3.192 3 H3 ALA 1 3HT ALA 1 16.575 9.196 4.545 4 HA ALA 1 HA ALA 1 14.522 7.293 3.645 5 HB1 ALA 1 1HB ALA 1 16.393 5.844 3.036 6 HB2 ALA 1 2HB ALA 1 17.533 7.111 3.489 7 HB3 ALA 1 3HB ALA 1 16.438 7.353 2.127 8 H ARG 2 H ARG 2 13.655 6.519 5.467 9 HA ARG 2 HA ARG 2 15.456 5.440 7.499 10 HB2 ARG 2 2HB ARG 2 13.024 7.155 8.088 11 HB3 ARG 2 1HB ARG 2 13.866 6.202 9.292 12 HG2 ARG 2 2HG ARG 2 15.067 8.470 7.715 13 HG3 ARG 2 1HG ARG 2 14.480 8.582 9.374 14 HD2 ARG 2 2HD ARG 2 16.150 6.916 10.069 15 HD3 ARG 2 1HD ARG 2 16.717 6.794 8.407 16 HE ARG 2 HE ARG 2 16.849 9.459 9.125 17 HH11 ARG 2 1HH1 ARG 2 18.381 6.435 10.147 18 HH12 ARG 2 2HH1 ARG 2 19.847 7.177 10.593 19 HH21 ARG 2 1HH2 ARG 2 18.851 10.450 9.721 20 HH22 ARG 2 2HH2 ARG 2 20.136 9.519 10.333 21 H LYS 3 H LYS 3 15.083 3.369 7.424 22 HA LYS 3 HA LYS 3 14.145 1.356 7.184 23 HB2 LYS 3 2HB LYS 3 13.101 1.956 9.347 24 HB3 LYS 3 1HB LYS 3 11.747 2.675 8.484 25 HG2 LYS 3 2HG LYS 3 11.145 0.480 7.592 26 HG3 LYS 3 1HG LYS 3 12.517 -0.239 8.428 27 HD2 LYS 3 2HD LYS 3 10.448 -0.623 9.671 28 HD3 LYS 3 1HD LYS 3 11.539 0.411 10.586 29 HE2 LYS 3 2HE LYS 3 10.250 2.378 9.906 30 HE3 LYS 3 1HE LYS 3 9.191 1.355 8.932 31 HZ1 LYS 3 1HZ LYS 3 8.211 1.889 11.083 32 HZ2 LYS 3 2HZ LYS 3 9.517 1.200 11.877 33 HZ3 LYS 3 3HZ LYS 3 8.492 0.239 10.949 34 H SER 4 H SER 4 14.147 1.155 5.022 35 HA SER 4 HA SER 4 12.133 2.312 3.379 36 HB2 SER 4 2HB SER 4 13.376 1.077 1.570 37 HB3 SER 4 1HB SER 4 14.345 2.209 2.511 38 HG SER 4 HG SER 4 14.721 -0.393 2.140 39 H CYS 5 H CYS 5 12.362 -0.605 5.100 40 HA CYS 5 HA CYS 5 10.316 -1.816 3.373 41 HB2 CYS 5 2HB CYS 5 12.236 -3.229 5.221 42 HB3 CYS 5 1HB CYS 5 11.046 -3.990 4.209 43 H CYS 6 H CYS 6 8.712 -3.044 4.429 44 HA CYS 6 HA CYS 6 8.152 -2.282 7.187 45 HB2 CYS 6 2HB CYS 6 6.453 -3.093 4.863 46 HB3 CYS 6 1HB CYS 6 5.831 -2.943 6.506 47 H LEU 7 H LEU 7 7.764 -3.967 8.548 48 HA LEU 7 HA LEU 7 8.072 -6.641 7.391 49 HB2 LEU 7 2HB LEU 7 9.942 -5.744 8.863 50 HB3 LEU 7 1HB LEU 7 8.804 -5.790 10.194 51 HG LEU 7 HG LEU 7 8.610 -8.236 9.923 52 HD11 LEU 7 1HD1 LEU 7 10.255 -9.381 8.458 53 HD12 LEU 7 2HD1 LEU 7 10.710 -7.797 7.817 54 HD13 LEU 7 3HD1 LEU 7 9.085 -8.410 7.556 55 HD21 LEU 7 1HD2 LEU 7 10.851 -8.779 10.757 56 HD22 LEU 7 2HD2 LEU 7 10.229 -7.301 11.491 57 HD23 LEU 7 3HD2 LEU 7 11.430 -7.209 10.202 58 H LYS 8 H LYS 8 5.822 -4.694 8.194 59 HA LYS 8 HA LYS 8 4.151 -6.639 9.548 60 HB2 LYS 8 2HB LYS 8 3.143 -4.819 10.782 61 HB3 LYS 8 1HB LYS 8 4.840 -5.006 11.230 62 HG2 LYS 8 2HG LYS 8 5.418 -3.089 9.821 63 HG3 LYS 8 1HG LYS 8 3.734 -2.930 9.328 64 HD2 LYS 8 2HD LYS 8 4.772 -2.646 12.146 65 HD3 LYS 8 1HD LYS 8 4.377 -1.302 11.074 66 HE2 LYS 8 2HE LYS 8 2.046 -2.105 10.977 67 HE3 LYS 8 1HE LYS 8 2.460 -3.409 12.085 68 HZ1 LYS 8 1HZ LYS 8 1.460 -1.622 13.288 69 HZ2 LYS 8 2HZ LYS 8 2.572 -0.499 12.696 70 HZ3 LYS 8 3HZ LYS 8 3.066 -1.722 13.733 71 H TYR 9 H TYR 9 1.886 -6.109 9.143 72 HA TYR 9 HA TYR 9 1.386 -4.374 6.839 73 HB2 TYR 9 2HB TYR 9 -0.316 -6.841 7.378 74 HB3 TYR 9 1HB TYR 9 -0.203 -5.838 5.990 75 HD1 TYR 9 1HD TYR 9 1.463 -6.118 4.314 76 HD2 TYR 9 2HD TYR 9 1.394 -8.614 7.731 77 HE1 TYR 9 1HE TYR 9 2.924 -7.724 3.153 78 HE2 TYR 9 2HE TYR 9 2.851 -10.232 6.591 79 HH TYR 9 HH TYR 9 4.428 -9.539 3.630 80 H THR 10 H THR 10 -0.583 -3.280 7.045 81 HA THR 10 HA THR 10 -1.437 -2.700 9.664 82 HB THR 10 HB THR 10 -1.492 -0.967 7.971 83 HG1 THR 10 1HG THR 10 -4.118 -0.860 8.096 84 HG21 THR 10 1HG2 THR 10 -3.112 -1.001 6.121 85 HG22 THR 10 2HG2 THR 10 -3.566 -2.654 6.556 86 HG23 THR 10 3HG2 THR 10 -1.922 -2.290 6.006 87 H LYS 11 H LYS 11 -3.414 -3.275 10.707 88 HA LYS 11 HA LYS 11 -4.764 -5.527 9.436 89 HB2 LYS 11 2HB LYS 11 -5.768 -6.138 11.563 90 HB3 LYS 11 1HB LYS 11 -4.050 -5.943 11.775 91 HG2 LYS 11 2HG LYS 11 -6.131 -3.915 12.591 92 HG3 LYS 11 1HG LYS 11 -5.427 -5.115 13.665 93 HD2 LYS 11 2HD LYS 11 -3.208 -4.096 13.229 94 HD3 LYS 11 1HD LYS 11 -4.018 -2.853 12.270 95 HE2 LYS 11 2HE LYS 11 -3.599 -2.021 14.513 96 HE3 LYS 11 1HE LYS 11 -5.332 -2.202 14.248 97 HZ1 LYS 11 1HZ LYS 11 -3.598 -4.118 15.726 98 HZ2 LYS 11 2HZ LYS 11 -5.249 -4.303 15.456 99 HZ3 LYS 11 3HZ LYS 11 -4.699 -3.039 16.416 100 H ARG 12 H ARG 12 -5.121 -2.308 9.592 101 HA ARG 12 HA ARG 12 -8.003 -2.596 9.233 102 HB2 ARG 12 2HB ARG 12 -8.291 -0.233 9.826 103 HB3 ARG 12 1HB ARG 12 -7.539 -1.127 11.132 104 HG2 ARG 12 2HG ARG 12 -5.352 -0.181 10.491 105 HG3 ARG 12 1HG ARG 12 -6.158 0.699 9.184 106 HD2 ARG 12 2HD ARG 12 -7.491 1.924 10.744 107 HD3 ARG 12 1HD ARG 12 -6.854 0.988 12.093 108 HE ARG 12 HE ARG 12 -4.659 2.075 10.968 109 HH11 ARG 12 1HH1 ARG 12 -7.722 3.522 12.022 110 HH12 ARG 12 2HH1 ARG 12 -7.005 4.942 12.621 111 HH21 ARG 12 1HH2 ARG 12 -3.676 4.061 11.782 112 HH22 ARG 12 2HH2 ARG 12 -4.675 5.259 12.476 113 HA PRO 13 HA PRO 13 -7.143 -1.465 5.059 114 HB2 PRO 13 2HB PRO 13 -9.739 -1.245 4.254 115 HB3 PRO 13 1HB PRO 13 -8.916 -2.797 4.423 116 HG2 PRO 13 2HG PRO 13 -10.843 -1.459 6.259 117 HG3 PRO 13 1HG PRO 13 -10.679 -3.176 5.864 118 HD2 PRO 13 2HD PRO 13 -9.733 -2.055 8.159 119 HD3 PRO 13 1HD PRO 13 -9.030 -3.501 7.414 120 H LEU 14 H LEU 14 -7.113 0.440 3.948 121 HA LEU 14 HA LEU 14 -7.998 2.813 5.365 122 HB2 LEU 14 2HB LEU 14 -6.303 2.425 2.911 123 HB3 LEU 14 1HB LEU 14 -6.719 3.981 3.576 124 HG LEU 14 HG LEU 14 -5.055 1.893 4.974 125 HD11 LEU 14 1HD1 LEU 14 -4.032 2.814 2.941 126 HD12 LEU 14 2HD1 LEU 14 -3.190 3.382 4.377 127 HD13 LEU 14 3HD1 LEU 14 -4.327 4.443 3.540 128 HD21 LEU 14 1HD2 LEU 14 -6.241 3.396 6.510 129 HD22 LEU 14 2HD2 LEU 14 -5.662 4.784 5.589 130 HD23 LEU 14 3HD2 LEU 14 -4.516 3.777 6.475 131 HA PRO 15 HA PRO 15 -11.105 3.273 2.087 132 HB2 PRO 15 2HB PRO 15 -10.968 6.176 2.485 133 HB3 PRO 15 1HB PRO 15 -12.330 5.096 2.790 134 HG2 PRO 15 2HG PRO 15 -10.954 6.309 4.784 135 HG3 PRO 15 1HG PRO 15 -11.712 4.718 4.973 136 HD2 PRO 15 2HD PRO 15 -8.843 5.408 4.489 137 HD3 PRO 15 1HD PRO 15 -9.548 4.151 5.529 138 H LEU 16 H LEU 16 -10.705 3.535 -0.011 139 HA LEU 16 HA LEU 16 -8.113 4.174 -0.889 140 HB2 LEU 16 2HB LEU 16 -9.323 2.533 -2.032 141 HB3 LEU 16 1HB LEU 16 -10.658 3.663 -2.355 142 HG LEU 16 HG LEU 16 -9.143 4.852 -3.882 143 HD11 LEU 16 1HD1 LEU 16 -7.043 3.752 -4.552 144 HD12 LEU 16 2HD1 LEU 16 -7.273 2.572 -3.263 145 HD13 LEU 16 3HD1 LEU 16 -7.010 4.265 -2.862 146 HD21 LEU 16 1HD2 LEU 16 -9.456 1.930 -4.323 147 HD22 LEU 16 2HD2 LEU 16 -9.218 3.182 -5.582 148 HD23 LEU 16 3HD2 LEU 16 -10.667 3.209 -4.565 149 H LYS 17 H LYS 17 -11.023 5.937 -0.727 150 HA LYS 17 HA LYS 17 -10.367 8.117 -2.345 151 HB2 LYS 17 2HB LYS 17 -12.184 7.966 0.059 152 HB3 LYS 17 1HB LYS 17 -12.086 9.356 -1.011 153 HG2 LYS 17 2HG LYS 17 -12.835 8.001 -2.881 154 HG3 LYS 17 1HG LYS 17 -12.885 6.573 -1.855 155 HD2 LYS 17 2HD LYS 17 -14.608 7.638 -0.471 156 HD3 LYS 17 1HD LYS 17 -14.537 9.075 -1.498 157 HE2 LYS 17 2HE LYS 17 -15.249 7.755 -3.419 158 HE3 LYS 17 1HE LYS 17 -15.279 6.303 -2.421 159 HZ1 LYS 17 1HZ LYS 17 -17.467 7.250 -2.741 160 HZ2 LYS 17 2HZ LYS 17 -16.994 8.695 -2.021 161 HZ3 LYS 17 3HZ LYS 17 -17.047 7.267 -1.106 162 H ARG 18 H ARG 18 -8.813 7.130 0.397 163 HA ARG 18 HA ARG 18 -7.943 9.916 1.026 164 HB2 ARG 18 2HB ARG 18 -9.255 8.681 2.905 165 HB3 ARG 18 1HB ARG 18 -7.855 7.639 3.000 166 HG2 ARG 18 2HG ARG 18 -6.435 9.561 3.491 167 HG3 ARG 18 1HG ARG 18 -7.851 10.603 3.409 168 HD2 ARG 18 2HD ARG 18 -8.842 9.406 5.273 169 HD3 ARG 18 1HD ARG 18 -7.421 8.352 5.359 170 HE ARG 18 HE ARG 18 -7.078 11.236 5.557 171 HH11 ARG 18 1HH1 ARG 18 -7.040 8.097 7.249 172 HH12 ARG 18 2HH1 ARG 18 -6.104 8.681 8.543 173 HH21 ARG 18 1HH2 ARG 18 -5.803 11.995 7.381 174 HH22 ARG 18 2HH2 ARG 18 -5.417 10.903 8.635 175 H ILE 19 H ILE 19 -6.864 7.554 -0.711 176 HA ILE 19 HA ILE 19 -4.199 7.483 0.508 177 HB ILE 19 HB ILE 19 -5.290 5.615 -1.627 178 HG12 ILE 19 2HG1 ILE 19 -4.865 5.020 1.291 179 HG13 ILE 19 1HG1 ILE 19 -6.445 5.490 0.642 180 HG21 ILE 19 1HG2 ILE 19 -2.819 5.485 0.148 181 HG22 ILE 19 2HG2 ILE 19 -2.814 5.789 -1.584 182 HG23 ILE 19 3HG2 ILE 19 -3.321 4.222 -0.960 183 HD11 ILE 19 1HD1 ILE 19 -6.383 3.512 -0.818 184 HD12 ILE 19 2HD1 ILE 19 -6.249 3.062 0.879 185 HD13 ILE 19 3HD1 ILE 19 -4.829 3.094 -0.188 186 H LYS 20 H LYS 20 -2.526 8.365 -0.540 187 HA LYS 20 HA LYS 20 -3.086 9.906 -2.906 188 HB2 LYS 20 2HB LYS 20 -0.539 9.717 -1.261 189 HB3 LYS 20 1HB LYS 20 -0.838 10.875 -2.534 190 HG2 LYS 20 2HG LYS 20 -2.248 10.684 0.060 191 HG3 LYS 20 1HG LYS 20 -1.110 11.931 -0.463 192 HD2 LYS 20 2HD LYS 20 -3.817 11.325 -1.584 193 HD3 LYS 20 1HD LYS 20 -3.387 12.720 -0.626 194 HE2 LYS 20 2HE LYS 20 -2.245 12.134 -3.369 195 HE3 LYS 20 1HE LYS 20 -3.484 13.325 -3.015 196 HZ1 LYS 20 1HZ LYS 20 -1.902 14.550 -1.662 197 HZ2 LYS 20 2HZ LYS 20 -1.253 14.293 -3.200 198 HZ3 LYS 20 3HZ LYS 20 -0.726 13.371 -1.916 199 H SER 21 H SER 21 -0.918 7.240 -1.908 200 HA SER 21 HA SER 21 -0.791 6.050 -4.416 201 HB2 SER 21 2HB SER 21 1.574 6.598 -4.992 202 HB3 SER 21 1HB SER 21 0.505 7.996 -5.110 203 HG SER 21 HG SER 21 2.364 8.544 -4.097 204 H TYR 22 H TYR 22 1.152 4.467 -4.398 205 HA TYR 22 HA TYR 22 1.846 3.713 -1.638 206 HB2 TYR 22 2HB TYR 22 1.510 1.383 -2.182 207 HB3 TYR 22 1HB TYR 22 0.010 2.273 -2.358 208 HD1 TYR 22 1HD TYR 22 -1.181 2.119 -4.310 209 HD2 TYR 22 2HD TYR 22 2.846 0.843 -4.347 210 HE1 TYR 22 1HE TYR 22 -1.486 1.210 -6.550 211 HE2 TYR 22 2HE TYR 22 2.545 -0.071 -6.612 212 HH TYR 22 HH TYR 22 -0.204 0.635 -8.497 213 H THR 23 H THR 23 3.557 2.213 -1.553 214 HA THR 23 HA THR 23 5.498 2.519 -3.734 215 HB THR 23 HB THR 23 5.979 2.085 -0.780 216 HG1 THR 23 1HG THR 23 5.257 4.241 -1.634 217 HG21 THR 23 1HG2 THR 23 7.661 1.043 -2.188 218 HG22 THR 23 2HG2 THR 23 8.360 2.430 -1.341 219 HG23 THR 23 3HG2 THR 23 7.921 2.560 -3.052 220 H ILE 24 H ILE 24 6.112 0.597 -4.621 221 HA ILE 24 HA ILE 24 4.977 -1.813 -3.555 222 HB ILE 24 HB ILE 24 6.804 -1.408 -5.937 223 HG12 ILE 24 2HG1 ILE 24 3.805 -1.778 -5.795 224 HG13 ILE 24 1HG1 ILE 24 4.642 -0.276 -6.174 225 HG21 ILE 24 1HG2 ILE 24 5.181 -3.825 -5.106 226 HG22 ILE 24 2HG2 ILE 24 6.941 -3.692 -5.077 227 HG23 ILE 24 3HG2 ILE 24 6.081 -3.666 -6.617 228 HD11 ILE 24 1HD1 ILE 24 4.678 -2.797 -7.819 229 HD12 ILE 24 2HD1 ILE 24 5.532 -1.304 -8.206 230 HD13 ILE 24 3HD1 ILE 24 3.774 -1.323 -8.170 231 H GLN 25 H GLN 25 5.958 -2.688 -1.851 232 HA GLN 25 HA GLN 25 8.839 -2.574 -1.662 233 HB2 GLN 25 2HB GLN 25 7.826 -2.235 0.421 234 HB3 GLN 25 1HB GLN 25 6.669 -3.527 0.226 235 HG2 GLN 25 2HG GLN 25 8.432 -5.154 0.468 236 HG3 GLN 25 1HG GLN 25 9.618 -3.860 0.626 237 HE21 GLN 25 1HE2 GLN 25 8.682 -6.019 2.491 238 HE22 GLN 25 2HE2 GLN 25 8.302 -5.180 3.939 239 H SER 26 H SER 26 9.977 -3.992 -2.629 240 HA SER 26 HA SER 26 8.752 -6.451 -3.419 241 HB2 SER 26 2HB SER 26 10.063 -5.264 -5.096 242 HB3 SER 26 1HB SER 26 11.471 -5.306 -4.028 243 HG SER 26 HG SER 26 11.193 -7.064 -5.731 244 H ASN 27 H ASN 27 9.263 -8.340 -2.641 245 HA ASN 27 HA ASN 27 10.679 -8.401 -0.156 246 HB2 ASN 27 2HB ASN 27 9.846 -10.679 0.003 247 HB3 ASN 27 1HB ASN 27 8.571 -9.506 -0.265 248 HD21 ASN 27 1HD2 ASN 27 8.337 -12.095 -0.635 249 HD22 ASN 27 2HD2 ASN 27 8.087 -12.439 -2.324 250 H GLU 28 H GLU 28 11.582 -8.511 -3.236 251 HA GLU 28 HA GLU 28 13.647 -10.459 -3.162 252 HB2 GLU 28 2HB GLU 28 13.418 -7.897 -4.754 253 HB3 GLU 28 1HB GLU 28 14.513 -9.228 -5.098 254 HG2 GLU 28 2HG GLU 28 12.659 -10.675 -5.630 255 HG3 GLU 28 1HG GLU 28 11.515 -9.425 -5.143 256 H ALA 29 H ALA 29 13.243 -7.108 -2.221 257 HA ALA 29 HA ALA 29 16.043 -6.939 -1.323 258 HB1 ALA 29 1HB ALA 29 15.753 -4.523 -1.338 259 HB2 ALA 29 2HB ALA 29 14.059 -4.713 -1.776 260 HB3 ALA 29 3HB ALA 29 15.323 -5.207 -2.903 261 H CYS 30 H CYS 30 12.743 -6.802 -0.249 262 HA CYS 30 HA CYS 30 13.594 -6.202 2.495 263 HB2 CYS 30 2HB CYS 30 10.865 -6.210 1.217 264 HB3 CYS 30 1HB CYS 30 11.214 -5.778 2.886 265 H ASN 31 H ASN 31 12.304 -7.492 4.177 266 HA ASN 31 HA ASN 31 12.752 -10.259 3.678 267 HB2 ASN 31 2HB ASN 31 11.398 -8.900 6.014 268 HB3 ASN 31 1HB ASN 31 11.737 -10.620 5.938 269 HD21 ASN 31 1HD2 ASN 31 13.042 -10.569 7.712 270 HD22 ASN 31 2HD2 ASN 31 14.610 -9.842 7.714 271 H ILE 32 H ILE 32 9.919 -8.224 3.750 272 HA ILE 32 HA ILE 32 8.387 -10.517 2.722 273 HB ILE 32 HB ILE 32 6.377 -9.752 3.855 274 HG12 ILE 32 2HG1 ILE 32 8.080 -7.566 5.075 275 HG13 ILE 32 1HG1 ILE 32 6.902 -7.326 3.793 276 HG21 ILE 32 1HG2 ILE 32 8.686 -9.815 5.738 277 HG22 ILE 32 2HG2 ILE 32 7.864 -11.248 5.103 278 HG23 ILE 32 3HG2 ILE 32 7.004 -10.131 6.188 279 HD11 ILE 32 1HD1 ILE 32 6.322 -8.271 6.589 280 HD12 ILE 32 2HD1 ILE 32 5.125 -8.054 5.314 281 HD13 ILE 32 3HD1 ILE 32 6.009 -6.663 5.944 282 H LYS 33 H LYS 33 6.386 -9.699 1.567 283 HA LYS 33 HA LYS 33 7.162 -7.379 0.078 284 HB2 LYS 33 2HB LYS 33 6.707 -9.421 -1.231 285 HB3 LYS 33 1HB LYS 33 5.081 -9.486 -0.564 286 HG2 LYS 33 2HG LYS 33 4.517 -7.399 -1.685 287 HG3 LYS 33 1HG LYS 33 6.160 -7.275 -2.301 288 HD2 LYS 33 2HD LYS 33 5.858 -9.356 -3.550 289 HD3 LYS 33 1HD LYS 33 4.216 -9.488 -2.922 290 HE2 LYS 33 2HE LYS 33 3.630 -7.385 -4.023 291 HE3 LYS 33 1HE LYS 33 5.274 -7.247 -4.636 292 HZ1 LYS 33 1HZ LYS 33 3.391 -9.454 -5.310 293 HZ2 LYS 33 2HZ LYS 33 4.948 -9.236 -5.940 294 HZ3 LYS 33 3HZ LYS 33 3.733 -8.117 -6.276 295 H ALA 34 H ALA 34 6.144 -5.531 0.947 296 HA ALA 34 HA ALA 34 3.332 -5.736 1.731 297 HB1 ALA 34 1HB ALA 34 4.654 -5.905 3.834 298 HB2 ALA 34 2HB ALA 34 3.729 -4.424 3.779 299 HB3 ALA 34 3HB ALA 34 5.453 -4.386 3.441 300 H ILE 35 H ILE 35 2.388 -4.412 0.302 301 HA ILE 35 HA ILE 35 3.696 -2.231 -0.957 302 HB ILE 35 HB ILE 35 0.712 -2.719 -0.645 303 HG12 ILE 35 2HG1 ILE 35 1.869 -4.596 -1.685 304 HG13 ILE 35 1HG1 ILE 35 0.824 -3.780 -2.848 305 HG21 ILE 35 1HG2 ILE 35 0.467 -1.291 -2.687 306 HG22 ILE 35 2HG2 ILE 35 2.181 -0.955 -2.623 307 HG23 ILE 35 3HG2 ILE 35 1.139 -0.418 -1.320 308 HD11 ILE 35 1HD1 ILE 35 2.867 -4.414 -3.884 309 HD12 ILE 35 2HD1 ILE 35 3.834 -3.595 -2.644 310 HD13 ILE 35 3HD1 ILE 35 2.830 -2.661 -3.764 311 H ILE 36 H ILE 36 4.019 -0.148 -0.249 312 HA ILE 36 HA ILE 36 2.901 0.448 2.380 313 HB ILE 36 HB ILE 36 5.062 2.010 0.920 314 HG12 ILE 36 2HG1 ILE 36 6.548 1.096 2.836 315 HG13 ILE 36 1HG1 ILE 36 5.306 -0.132 3.011 316 HG21 ILE 36 1HG2 ILE 36 3.870 3.399 2.449 317 HG22 ILE 36 2HG2 ILE 36 5.507 3.055 3.029 318 HG23 ILE 36 3HG2 ILE 36 4.124 2.208 3.745 319 HD11 ILE 36 1HD1 ILE 36 5.678 -0.825 0.734 320 HD12 ILE 36 2HD1 ILE 36 7.174 -0.862 1.703 321 HD13 ILE 36 3HD1 ILE 36 6.879 0.461 0.564 322 H PHE 37 H PHE 37 1.122 1.449 2.334 323 HA PHE 37 HA PHE 37 0.257 3.121 0.169 324 HB2 PHE 37 2HB PHE 37 -0.876 1.990 2.671 325 HB3 PHE 37 1HB PHE 37 -1.694 3.342 1.883 326 HD1 PHE 37 1HD PHE 37 -0.010 0.323 0.503 327 HD2 PHE 37 2HD PHE 37 -3.548 2.517 0.996 328 HE1 PHE 37 1HE PHE 37 -1.226 -1.261 -1.026 329 HE2 PHE 37 2HE PHE 37 -4.757 0.964 -0.502 330 HZ PHE 37 HZ PHE 37 -3.567 -0.918 -1.499 331 H THR 38 H THR 38 0.046 5.233 0.300 332 HA THR 38 HA THR 38 0.758 6.459 2.841 333 HB THR 38 HB THR 38 1.404 7.530 0.076 334 HG1 THR 38 1HG THR 38 2.593 5.743 1.671 335 HG21 THR 38 1HG2 THR 38 1.024 9.234 1.783 336 HG22 THR 38 2HG2 THR 38 2.740 9.166 1.336 337 HG23 THR 38 3HG2 THR 38 2.174 8.441 2.849 338 H THR 39 H THR 39 -0.741 7.910 3.583 339 HA THR 39 HA THR 39 -3.146 8.047 1.998 340 HB THR 39 HB THR 39 -4.034 9.107 4.131 341 HG1 THR 39 1HG THR 39 -2.497 8.158 5.907 342 HG21 THR 39 1HG2 THR 39 -4.509 6.790 3.546 343 HG22 THR 39 2HG2 THR 39 -4.248 6.937 5.284 344 HG23 THR 39 3HG2 THR 39 -2.976 6.277 4.252 345 H LYS 40 H LYS 40 -4.308 10.250 2.350 346 HA LYS 40 HA LYS 40 -2.685 12.259 1.229 347 HB2 LYS 40 2HB LYS 40 -5.208 12.662 2.757 348 HB3 LYS 40 1HB LYS 40 -4.596 13.752 1.519 349 HG2 LYS 40 2HG LYS 40 -4.921 11.481 -0.013 350 HG3 LYS 40 1HG LYS 40 -6.017 11.169 1.280 351 HD2 LYS 40 2HD LYS 40 -7.306 13.110 0.898 352 HD3 LYS 40 1HD LYS 40 -6.115 13.710 -0.269 353 HE2 LYS 40 2HE LYS 40 -6.586 11.811 -1.721 354 HE3 LYS 40 1HE LYS 40 -7.781 11.220 -0.576 355 HZ1 LYS 40 1HZ LYS 40 -9.006 13.312 -0.903 356 HZ2 LYS 40 2HZ LYS 40 -8.887 12.407 -2.313 357 HZ3 LYS 40 3HZ LYS 40 -7.920 13.773 -2.090 358 H LYS 41 H LYS 41 -3.078 11.135 4.364 359 HA LYS 41 HA LYS 41 -2.296 13.442 5.886 360 HB2 LYS 41 2HB LYS 41 -3.592 11.436 6.766 361 HB3 LYS 41 1HB LYS 41 -2.148 10.493 6.542 362 HG2 LYS 41 2HG LYS 41 -2.414 11.111 8.881 363 HG3 LYS 41 1HG LYS 41 -0.959 11.839 8.193 364 HD2 LYS 41 2HD LYS 41 -2.130 13.953 7.913 365 HD3 LYS 41 1HD LYS 41 -3.613 13.217 8.522 366 HE2 LYS 41 2HE LYS 41 -2.569 12.859 10.676 367 HE3 LYS 41 1HE LYS 41 -1.045 13.514 10.074 368 HZ1 LYS 41 1HZ LYS 41 -2.153 15.632 9.718 369 HZ2 LYS 41 2HZ LYS 41 -2.254 15.168 11.328 370 HZ3 LYS 41 3HZ LYS 41 -3.602 15.006 10.321 371 H GLY 42 H GLY 42 -0.886 11.161 3.873 372 HA2 GLY 42 2HA GLY 42 1.225 10.987 3.059 373 HA3 GLY 42 1HA GLY 42 1.712 12.250 4.163 374 H ARG 43 H ARG 43 0.115 9.672 5.685 375 HA ARG 43 HA ARG 43 2.482 8.929 7.057 376 HB2 ARG 43 2HB ARG 43 0.225 9.190 8.073 377 HB3 ARG 43 1HB ARG 43 -0.292 7.806 7.107 378 HG2 ARG 43 2HG ARG 43 1.287 6.410 8.185 379 HG3 ARG 43 1HG ARG 43 1.903 7.783 9.117 380 HD2 ARG 43 2HD ARG 43 -0.336 7.997 10.191 381 HD3 ARG 43 1HD ARG 43 -0.854 6.562 9.302 382 HE ARG 43 HE ARG 43 1.428 5.843 10.618 383 HH11 ARG 43 1HH1 ARG 43 -1.788 6.948 11.599 384 HH12 ARG 43 2HH1 ARG 43 -1.770 6.151 13.105 385 HH21 ARG 43 1HH2 ARG 43 1.450 4.714 12.705 386 HH22 ARG 43 2HH2 ARG 43 0.126 4.876 13.745 387 H LYS 44 H LYS 44 3.335 6.759 7.061 388 HA LYS 44 HA LYS 44 2.960 5.364 4.530 389 HB2 LYS 44 2HB LYS 44 5.014 4.925 6.712 390 HB3 LYS 44 1HB LYS 44 5.006 4.152 5.137 391 HG2 LYS 44 2HG LYS 44 5.376 7.102 5.649 392 HG3 LYS 44 1HG LYS 44 6.647 5.951 5.257 393 HD2 LYS 44 2HD LYS 44 5.624 5.539 3.079 394 HD3 LYS 44 1HD LYS 44 4.310 6.650 3.471 395 HE2 LYS 44 2HE LYS 44 5.924 8.480 3.679 396 HE3 LYS 44 1HE LYS 44 7.233 7.370 3.284 397 HZ1 LYS 44 1HZ LYS 44 6.363 7.096 1.088 398 HZ2 LYS 44 2HZ LYS 44 6.482 8.733 1.420 399 HZ3 LYS 44 3HZ LYS 44 4.968 8.010 1.463 400 H ILE 45 H ILE 45 1.485 3.808 4.507 401 HA ILE 45 HA ILE 45 0.938 2.299 6.961 402 HB ILE 45 HB ILE 45 -0.824 2.660 4.502 403 HG12 ILE 45 2HG1 ILE 45 -2.443 3.818 6.095 404 HG13 ILE 45 1HG1 ILE 45 -1.118 3.875 7.268 405 HG21 ILE 45 1HG2 ILE 45 -1.403 1.205 7.060 406 HG22 ILE 45 2HG2 ILE 45 -1.159 0.495 5.468 407 HG23 ILE 45 3HG2 ILE 45 -2.573 1.502 5.774 408 HD11 ILE 45 1HD1 ILE 45 -1.475 5.965 6.127 409 HD12 ILE 45 2HD1 ILE 45 -1.200 5.172 4.576 410 HD13 ILE 45 3HD1 ILE 45 0.116 5.289 5.742 411 H CYS 46 H CYS 46 1.831 0.355 6.896 412 HA CYS 46 HA CYS 46 2.753 -0.799 4.396 413 HB2 CYS 46 2HB CYS 46 2.846 -1.852 7.222 414 HB3 CYS 46 1HB CYS 46 3.804 -2.461 5.889 415 H ALA 47 H ALA 47 1.288 -1.904 3.190 416 HA ALA 47 HA ALA 47 -0.833 -3.265 4.694 417 HB1 ALA 47 1HB ALA 47 -1.019 -2.030 1.959 418 HB2 ALA 47 2HB ALA 47 -1.638 -1.320 3.450 419 HB3 ALA 47 3HB ALA 47 -2.323 -2.828 2.841 420 H ASN 48 H ASN 48 -1.470 -5.307 4.105 421 HA ASN 48 HA ASN 48 0.428 -6.790 2.701 422 HB2 ASN 48 2HB ASN 48 -0.539 -7.884 4.505 423 HB3 ASN 48 1HB ASN 48 -2.163 -7.452 4.040 424 HD21 ASN 48 1HD2 ASN 48 0.557 -9.462 3.045 425 HD22 ASN 48 2HD2 ASN 48 -0.544 -10.550 2.179 426 HA PRO 49 HA PRO 49 -1.145 -6.101 -1.379 427 HB2 PRO 49 2HB PRO 49 0.486 -7.938 -2.576 428 HB3 PRO 49 1HB PRO 49 0.966 -6.281 -2.230 429 HG2 PRO 49 2HG PRO 49 1.588 -8.786 -0.746 430 HG3 PRO 49 1HG PRO 49 2.587 -7.342 -0.999 431 HD2 PRO 49 2HD PRO 49 1.334 -7.867 1.329 432 HD3 PRO 49 1HD PRO 49 1.632 -6.216 0.752 433 H ASN 50 H ASN 50 -1.043 -9.112 0.349 434 HA ASN 50 HA ASN 50 -2.386 -10.571 -1.618 435 HB2 ASN 50 2HB ASN 50 -2.009 -11.203 1.306 436 HB3 ASN 50 1HB ASN 50 -2.590 -12.308 0.060 437 HD21 ASN 50 1HD2 ASN 50 -0.152 -12.280 1.789 438 HD22 ASN 50 2HD2 ASN 50 1.163 -12.474 0.676 439 H GLU 51 H GLU 51 -3.395 -8.119 0.384 440 HA GLU 51 HA GLU 51 -6.001 -9.170 1.030 441 HB2 GLU 51 2HB GLU 51 -4.929 -6.386 1.442 442 HB3 GLU 51 1HB GLU 51 -6.431 -7.024 2.089 443 HG2 GLU 51 2HG GLU 51 -4.809 -8.795 3.256 444 HG3 GLU 51 1HG GLU 51 -3.652 -7.638 2.750 445 H LYS 52 H LYS 52 -7.813 -8.758 0.065 446 HA LYS 52 HA LYS 52 -7.948 -8.166 -2.628 447 HB2 LYS 52 2HB LYS 52 -9.620 -9.417 -1.402 448 HB3 LYS 52 1HB LYS 52 -10.115 -7.970 -0.541 449 HG2 LYS 52 2HG LYS 52 -10.818 -6.980 -2.691 450 HG3 LYS 52 1HG LYS 52 -10.407 -8.495 -3.494 451 HD2 LYS 52 2HD LYS 52 -12.460 -8.139 -1.306 452 HD3 LYS 52 1HD LYS 52 -12.806 -8.380 -3.015 453 HE2 LYS 52 2HE LYS 52 -11.711 -10.591 -2.894 454 HE3 LYS 52 1HE LYS 52 -11.410 -10.320 -1.184 455 HZ1 LYS 52 1HZ LYS 52 -13.812 -10.181 -0.838 456 HZ2 LYS 52 2HZ LYS 52 -13.317 -11.664 -1.417 457 HZ3 LYS 52 3HZ LYS 52 -14.084 -10.573 -2.462 458 H TRP 53 H TRP 53 -8.484 -6.022 0.156 459 HA TRP 53 HA TRP 53 -9.484 -3.874 -1.396 460 HB2 TRP 53 2HB TRP 53 -9.270 -2.453 0.554 461 HB3 TRP 53 1HB TRP 53 -9.846 -4.021 1.078 462 HD1 TRP 53 HD TRP 53 -7.980 -5.568 2.482 463 HE1 TRP 53 1HE TRP 53 -6.036 -4.852 3.937 464 HE3 TRP 53 3HE TRP 53 -7.491 -0.736 0.853 465 HZ2 TRP 53 2HZ TRP 53 -4.469 -2.542 4.383 466 HZ3 TRP 53 3HZ TRP 53 -5.734 0.653 1.858 467 HH2 TRP 53 HH TRP 53 -4.253 -0.233 3.586 468 H VAL 54 H VAL 54 -6.272 -4.838 -0.490 469 HA VAL 54 HA VAL 54 -4.964 -2.474 -1.335 470 HB VAL 54 HB VAL 54 -3.904 -5.284 -0.915 471 HG11 VAL 54 1HG1 VAL 54 -2.424 -2.717 -1.423 472 HG12 VAL 54 2HG1 VAL 54 -2.429 -4.131 -2.464 473 HG13 VAL 54 3HG1 VAL 54 -1.650 -4.194 -0.869 474 HG21 VAL 54 1HG2 VAL 54 -3.728 -2.795 0.761 475 HG22 VAL 54 2HG2 VAL 54 -2.988 -4.351 1.138 476 HG23 VAL 54 3HG2 VAL 54 -4.744 -4.195 1.087 477 H GLN 55 H GLN 55 -5.653 -5.557 -2.821 478 HA GLN 55 HA GLN 55 -4.223 -5.107 -5.183 479 HB2 GLN 55 2HB GLN 55 -6.630 -6.871 -4.822 480 HB3 GLN 55 1HB GLN 55 -5.414 -7.000 -6.099 481 HG2 GLN 55 2HG GLN 55 -3.709 -7.225 -4.275 482 HG3 GLN 55 1HG GLN 55 -5.050 -7.421 -3.162 483 HE21 GLN 55 1HE2 GLN 55 -2.985 -9.130 -3.700 484 HE22 GLN 55 2HE2 GLN 55 -3.590 -10.603 -4.342 485 H LYS 56 H LYS 56 -7.461 -4.317 -4.144 486 HA LYS 56 HA LYS 56 -8.541 -3.384 -6.583 487 HB2 LYS 56 2HB LYS 56 -9.921 -4.069 -4.670 488 HB3 LYS 56 1HB LYS 56 -9.184 -2.825 -3.685 489 HG2 LYS 56 2HG LYS 56 -11.392 -2.177 -4.338 490 HG3 LYS 56 1HG LYS 56 -10.188 -1.119 -5.080 491 HD2 LYS 56 2HD LYS 56 -10.377 -2.358 -7.170 492 HD3 LYS 56 1HD LYS 56 -11.576 -3.430 -6.442 493 HE2 LYS 56 2HE LYS 56 -13.053 -1.495 -6.093 494 HE3 LYS 56 1HE LYS 56 -11.850 -0.454 -6.851 495 HZ1 LYS 56 1HZ LYS 56 -12.109 -1.748 -8.899 496 HZ2 LYS 56 2HZ LYS 56 -13.580 -1.082 -8.409 497 HZ3 LYS 56 3HZ LYS 56 -13.247 -2.715 -8.152 498 H ALA 57 H ALA 57 -7.079 -1.818 -3.739 499 HA ALA 57 HA ALA 57 -7.270 0.830 -4.587 500 HB1 ALA 57 1HB ALA 57 -5.577 1.299 -2.864 501 HB2 ALA 57 2HB ALA 57 -5.273 -0.419 -2.687 502 HB3 ALA 57 3HB ALA 57 -6.863 0.239 -2.268 503 H MET 58 H MET 58 -4.704 -1.521 -4.983 504 HA MET 58 HA MET 58 -2.815 0.201 -5.889 505 HB2 MET 58 2HB MET 58 -3.030 -2.745 -6.396 506 HB3 MET 58 1HB MET 58 -1.675 -1.821 -7.020 507 HG2 MET 58 2HG MET 58 -1.289 -1.063 -4.627 508 HG3 MET 58 1HG MET 58 -2.447 -2.299 -4.158 509 HE1 MET 58 1HE MET 58 -0.565 -5.563 -5.311 510 HE2 MET 58 2HE MET 58 -1.761 -4.668 -6.263 511 HE3 MET 58 3HE MET 58 -2.023 -4.949 -4.533 512 H LYS 59 H LYS 59 -5.241 -1.495 -7.781 513 HA LYS 59 HA LYS 59 -4.212 -0.769 -10.289 514 HB2 LYS 59 2HB LYS 59 -7.058 -1.390 -9.489 515 HB3 LYS 59 1HB LYS 59 -6.448 -1.315 -11.138 516 HG2 LYS 59 2HG LYS 59 -4.951 -3.181 -10.670 517 HG3 LYS 59 1HG LYS 59 -5.561 -3.261 -9.019 518 HD2 LYS 59 2HD LYS 59 -6.622 -4.957 -10.372 519 HD3 LYS 59 1HD LYS 59 -7.817 -3.743 -9.916 520 HE2 LYS 59 2HE LYS 59 -7.621 -2.712 -12.120 521 HE3 LYS 59 1HE LYS 59 -6.380 -3.879 -12.572 522 HZ1 LYS 59 1HZ LYS 59 -8.046 -5.639 -12.271 523 HZ2 LYS 59 2HZ LYS 59 -8.503 -4.541 -13.459 524 HZ3 LYS 59 3HZ LYS 59 -9.232 -4.475 -11.961 525 H HIS 60 H HIS 60 -6.477 0.773 -8.056 526 HA HIS 60 HA HIS 60 -7.160 2.806 -9.894 527 HB2 HIS 60 2HB HIS 60 -8.721 2.077 -8.220 528 HB3 HIS 60 1HB HIS 60 -7.586 2.504 -6.939 529 HD1 HIS 60 1HD HIS 60 -9.770 4.142 -9.608 530 HD2 HIS 60 2HD HIS 60 -7.741 5.036 -6.122 531 HE1 HIS 60 1HE HIS 60 -10.464 6.477 -9.052 532 HE2 HIS 60 2HE HIS 60 -9.170 7.066 -6.961 533 H LEU 61 H LEU 61 -4.865 2.532 -7.233 534 HA LEU 61 HA LEU 61 -4.082 5.269 -7.247 535 HB2 LEU 61 2HB LEU 61 -2.723 2.800 -6.207 536 HB3 LEU 61 1HB LEU 61 -2.117 4.428 -5.938 537 HG LEU 61 HG LEU 61 -4.815 3.444 -5.005 538 HD11 LEU 61 1HD1 LEU 61 -2.243 3.772 -3.473 539 HD12 LEU 61 2HD1 LEU 61 -3.079 2.248 -3.841 540 HD13 LEU 61 3HD1 LEU 61 -3.829 3.431 -2.786 541 HD21 LEU 61 1HD2 LEU 61 -3.238 5.931 -4.380 542 HD22 LEU 61 2HD2 LEU 61 -4.778 5.481 -3.649 543 HD23 LEU 61 3HD2 LEU 61 -4.703 5.856 -5.368 544 H ASP 62 H ASP 62 -3.261 2.561 -9.137 545 HA ASP 62 HA ASP 62 -0.831 3.527 -10.266 546 HB2 ASP 62 2HB ASP 62 -1.439 1.166 -10.327 547 HB3 ASP 62 1HB ASP 62 -2.889 1.535 -11.242 548 H LYS 63 H LYS 63 -4.223 3.996 -10.881 549 HA LYS 63 HA LYS 63 -3.759 5.260 -13.432 550 HB2 LYS 63 2HB LYS 63 -6.403 5.182 -11.973 551 HB3 LYS 63 1HB LYS 63 -6.122 5.331 -13.699 552 HG2 LYS 63 2HG LYS 63 -5.789 2.893 -11.980 553 HG3 LYS 63 1HG LYS 63 -6.947 3.145 -13.284 554 HD2 LYS 63 2HD LYS 63 -5.188 3.125 -14.911 555 HD3 LYS 63 1HD LYS 63 -3.959 3.086 -13.647 556 HE2 LYS 63 2HE LYS 63 -4.891 0.897 -12.892 557 HE3 LYS 63 1HE LYS 63 -5.964 0.938 -14.286 558 HZ1 LYS 63 1HZ LYS 63 -3.008 0.973 -14.392 559 HZ2 LYS 63 2HZ LYS 63 -4.035 0.957 -15.743 560 HZ3 LYS 63 3HZ LYS 63 -3.983 -0.368 -14.715 561 H LYS 64 H LYS 64 -4.578 5.972 -10.153 562 HA LYS 64 HA LYS 64 -4.530 7.734 -8.853 563 HB2 LYS 64 2HB LYS 64 -2.405 8.395 -9.927 564 HB3 LYS 64 1HB LYS 64 -3.308 9.256 -11.166 565 HG2 LYS 64 2HG LYS 64 -4.186 10.788 -9.475 566 HG3 LYS 64 1HG LYS 64 -3.313 9.914 -8.222 567 HD2 LYS 64 2HD LYS 64 -2.113 11.939 -8.851 568 HD3 LYS 64 1HD LYS 64 -1.193 10.505 -9.304 569 HE2 LYS 64 2HE LYS 64 -1.941 10.738 -11.609 570 HE3 LYS 64 1HE LYS 64 -2.922 12.135 -11.162 571 HZ1 LYS 64 1HZ LYS 64 0.035 11.993 -10.924 572 HZ2 LYS 64 2HZ LYS 64 -0.934 13.328 -10.593 573 HZ3 LYS 64 3HZ LYS 64 -0.811 12.758 -12.169 Start of MODEL 17 1 H1 ALA 1 1HT ALA 1 12.812 4.326 9.274 2 H2 ALA 1 2HT ALA 1 13.195 5.233 10.621 3 H3 ALA 1 3HT ALA 1 13.937 5.586 9.132 4 HA ALA 1 HA ALA 1 11.075 5.852 9.785 5 HB1 ALA 1 1HB ALA 1 13.139 8.003 9.335 6 HB2 ALA 1 2HB ALA 1 12.456 7.539 10.891 7 HB3 ALA 1 3HB ALA 1 11.423 8.252 9.654 8 H ARG 2 H ARG 2 13.017 4.814 7.357 9 HA ARG 2 HA ARG 2 12.085 6.453 5.214 10 HB2 ARG 2 2HB ARG 2 13.317 3.698 5.211 11 HB3 ARG 2 1HB ARG 2 12.925 4.600 3.764 12 HG2 ARG 2 2HG ARG 2 14.545 6.321 4.431 13 HG3 ARG 2 1HG ARG 2 14.942 5.362 5.861 14 HD2 ARG 2 2HD ARG 2 15.657 3.515 4.469 15 HD3 ARG 2 1HD ARG 2 15.192 4.391 3.017 16 HE ARG 2 HE ARG 2 17.011 5.948 4.422 17 HH11 ARG 2 1HH1 ARG 2 16.985 2.827 2.715 18 HH12 ARG 2 2HH1 ARG 2 18.595 2.928 2.213 19 HH21 ARG 2 1HH2 ARG 2 19.236 6.076 3.707 20 HH22 ARG 2 2HH2 ARG 2 19.907 4.819 2.781 21 H LYS 3 H LYS 3 11.278 3.274 6.493 22 HA LYS 3 HA LYS 3 9.632 1.836 6.144 23 HB2 LYS 3 2HB LYS 3 8.055 4.368 5.669 24 HB3 LYS 3 1HB LYS 3 7.310 2.776 5.720 25 HG2 LYS 3 2HG LYS 3 8.211 2.484 8.018 26 HG3 LYS 3 1HG LYS 3 8.801 4.142 7.950 27 HD2 LYS 3 2HD LYS 3 6.579 4.980 7.694 28 HD3 LYS 3 1HD LYS 3 5.920 3.342 7.592 29 HE2 LYS 3 2HE LYS 3 6.753 2.936 9.885 30 HE3 LYS 3 1HE LYS 3 7.277 4.619 9.961 31 HZ1 LYS 3 1HZ LYS 3 4.962 5.303 9.680 32 HZ2 LYS 3 2HZ LYS 3 5.127 4.278 11.010 33 HZ3 LYS 3 3HZ LYS 3 4.478 3.691 9.576 34 H SER 4 H SER 4 11.375 2.360 4.071 35 HA SER 4 HA SER 4 9.950 2.077 1.596 36 HB2 SER 4 2HB SER 4 12.834 1.452 2.292 37 HB3 SER 4 1HB SER 4 12.173 1.720 0.679 38 HG SER 4 HG SER 4 11.495 3.840 1.698 39 H CYS 5 H CYS 5 11.232 0.161 4.171 40 HA CYS 5 HA CYS 5 10.049 -2.218 2.985 41 HB2 CYS 5 2HB CYS 5 12.575 -2.112 4.666 42 HB3 CYS 5 1HB CYS 5 11.730 -3.579 4.211 43 H CYS 6 H CYS 6 8.646 -3.178 4.237 44 HA CYS 6 HA CYS 6 8.276 -2.281 6.984 45 HB2 CYS 6 2HB CYS 6 6.457 -3.262 4.851 46 HB3 CYS 6 1HB CYS 6 5.931 -3.075 6.525 47 H LEU 7 H LEU 7 7.738 -3.842 8.469 48 HA LEU 7 HA LEU 7 8.317 -6.627 7.719 49 HB2 LEU 7 2HB LEU 7 8.643 -5.252 10.388 50 HB3 LEU 7 1HB LEU 7 8.958 -6.947 10.081 51 HG LEU 7 HG LEU 7 10.491 -4.632 8.886 52 HD11 LEU 7 1HD1 LEU 7 12.315 -5.403 10.304 53 HD12 LEU 7 2HD1 LEU 7 11.256 -6.626 11.006 54 HD13 LEU 7 3HD1 LEU 7 10.918 -4.914 11.263 55 HD21 LEU 7 1HD2 LEU 7 10.426 -6.544 7.372 56 HD22 LEU 7 2HD2 LEU 7 10.928 -7.610 8.681 57 HD23 LEU 7 3HD2 LEU 7 12.031 -6.369 8.085 58 H LYS 8 H LYS 8 5.901 -4.526 8.482 59 HA LYS 8 HA LYS 8 4.195 -6.670 9.555 60 HB2 LYS 8 2HB LYS 8 3.977 -3.723 10.079 61 HB3 LYS 8 1HB LYS 8 2.855 -4.934 10.652 62 HG2 LYS 8 2HG LYS 8 4.681 -5.891 12.038 63 HG3 LYS 8 1HG LYS 8 5.722 -4.565 11.503 64 HD2 LYS 8 2HD LYS 8 3.107 -4.275 12.995 65 HD3 LYS 8 1HD LYS 8 4.715 -4.057 13.687 66 HE2 LYS 8 2HE LYS 8 5.108 -2.163 12.181 67 HE3 LYS 8 1HE LYS 8 3.530 -2.404 11.444 68 HZ1 LYS 8 1HZ LYS 8 2.514 -1.922 13.594 69 HZ2 LYS 8 2HZ LYS 8 3.430 -0.649 12.999 70 HZ3 LYS 8 3HZ LYS 8 4.043 -1.590 14.253 71 H TYR 9 H TYR 9 1.932 -6.373 8.978 72 HA TYR 9 HA TYR 9 1.418 -4.603 6.686 73 HB2 TYR 9 2HB TYR 9 -0.225 -7.140 7.133 74 HB3 TYR 9 1HB TYR 9 -0.074 -6.107 5.781 75 HD1 TYR 9 1HD TYR 9 1.603 -6.353 4.162 76 HD2 TYR 9 2HD TYR 9 1.477 -8.887 7.541 77 HE1 TYR 9 1HE TYR 9 3.065 -7.961 2.995 78 HE2 TYR 9 2HE TYR 9 2.939 -10.500 6.430 79 HH TYR 9 HH TYR 9 4.584 -9.824 3.503 80 H THR 10 H THR 10 -0.433 -3.352 7.057 81 HA THR 10 HA THR 10 -1.629 -3.495 9.597 82 HB THR 10 HB THR 10 -1.475 -1.310 8.396 83 HG1 THR 10 1HG THR 10 -4.136 -1.292 8.341 84 HG21 THR 10 1HG2 THR 10 -2.984 -0.846 6.490 85 HG22 THR 10 2HG2 THR 10 -3.454 -2.548 6.468 86 HG23 THR 10 3HG2 THR 10 -1.789 -2.088 6.109 87 H LYS 11 H LYS 11 -3.714 -4.269 10.036 88 HA LYS 11 HA LYS 11 -4.835 -5.893 7.873 89 HB2 LYS 11 2HB LYS 11 -4.023 -6.887 10.222 90 HB3 LYS 11 1HB LYS 11 -5.585 -6.309 10.769 91 HG2 LYS 11 2HG LYS 11 -5.254 -8.229 8.450 92 HG3 LYS 11 1HG LYS 11 -5.455 -8.731 10.119 93 HD2 LYS 11 2HD LYS 11 -7.441 -6.983 8.691 94 HD3 LYS 11 1HD LYS 11 -7.519 -8.742 8.642 95 HE2 LYS 11 2HE LYS 11 -7.551 -7.071 11.154 96 HE3 LYS 11 1HE LYS 11 -8.976 -7.759 10.376 97 HZ1 LYS 11 1HZ LYS 11 -6.707 -9.322 11.530 98 HZ2 LYS 11 2HZ LYS 11 -8.036 -9.969 10.719 99 HZ3 LYS 11 3HZ LYS 11 -8.259 -9.181 12.172 100 H ARG 12 H ARG 12 -5.057 -3.079 9.462 101 HA ARG 12 HA ARG 12 -7.946 -2.797 9.303 102 HB2 ARG 12 2HB ARG 12 -6.825 -1.888 11.276 103 HB3 ARG 12 1HB ARG 12 -5.767 -0.933 10.254 104 HG2 ARG 12 2HG ARG 12 -7.623 0.445 9.553 105 HG3 ARG 12 1HG ARG 12 -8.751 -0.589 10.429 106 HD2 ARG 12 2HD ARG 12 -8.240 1.424 11.719 107 HD3 ARG 12 1HD ARG 12 -7.673 -0.041 12.522 108 HE ARG 12 HE ARG 12 -5.837 1.577 10.916 109 HH11 ARG 12 1HH1 ARG 12 -6.730 0.175 14.068 110 HH12 ARG 12 2HH1 ARG 12 -5.257 0.587 14.814 111 HH21 ARG 12 1HH2 ARG 12 -3.806 2.157 12.005 112 HH22 ARG 12 2HH2 ARG 12 -3.582 1.723 13.635 113 HA PRO 13 HA PRO 13 -7.148 -1.407 5.138 114 HB2 PRO 13 2HB PRO 13 -9.715 -1.366 4.315 115 HB3 PRO 13 1HB PRO 13 -8.797 -2.864 4.508 116 HG2 PRO 13 2HG PRO 13 -10.838 -1.650 6.310 117 HG3 PRO 13 1HG PRO 13 -10.567 -3.351 5.909 118 HD2 PRO 13 2HD PRO 13 -9.710 -2.142 8.223 119 HD3 PRO 13 1HD PRO 13 -8.976 -3.597 7.520 120 H LEU 14 H LEU 14 -6.989 0.505 4.245 121 HA LEU 14 HA LEU 14 -8.085 2.887 5.499 122 HB2 LEU 14 2HB LEU 14 -6.359 2.510 3.063 123 HB3 LEU 14 1HB LEU 14 -6.782 4.048 3.761 124 HG LEU 14 HG LEU 14 -5.070 1.956 5.103 125 HD11 LEU 14 1HD1 LEU 14 -4.064 2.895 3.068 126 HD12 LEU 14 2HD1 LEU 14 -3.230 3.476 4.504 127 HD13 LEU 14 3HD1 LEU 14 -4.384 4.519 3.663 128 HD21 LEU 14 1HD2 LEU 14 -6.257 3.453 6.656 129 HD22 LEU 14 2HD2 LEU 14 -5.652 4.843 5.754 130 HD23 LEU 14 3HD2 LEU 14 -4.523 3.805 6.615 131 HA PRO 15 HA PRO 15 -11.060 3.233 2.061 132 HB2 PRO 15 2HB PRO 15 -11.067 6.135 2.473 133 HB3 PRO 15 1HB PRO 15 -12.381 4.992 2.752 134 HG2 PRO 15 2HG PRO 15 -11.127 6.261 4.781 135 HG3 PRO 15 1HG PRO 15 -11.787 4.626 4.939 136 HD2 PRO 15 2HD PRO 15 -8.952 5.477 4.474 137 HD3 PRO 15 1HD PRO 15 -9.597 4.220 5.558 138 H LEU 16 H LEU 16 -10.612 3.550 -0.050 139 HA LEU 16 HA LEU 16 -8.027 4.247 -0.902 140 HB2 LEU 16 2HB LEU 16 -9.207 2.682 -2.133 141 HB3 LEU 16 1HB LEU 16 -10.586 3.793 -2.379 142 HG LEU 16 HG LEU 16 -8.976 5.090 -3.786 143 HD11 LEU 16 1HD1 LEU 16 -6.996 3.836 -4.588 144 HD12 LEU 16 2HD1 LEU 16 -7.310 2.621 -3.357 145 HD13 LEU 16 3HD1 LEU 16 -6.886 4.271 -2.888 146 HD21 LEU 16 1HD2 LEU 16 -9.640 2.257 -4.472 147 HD22 LEU 16 2HD2 LEU 16 -9.207 3.541 -5.631 148 HD23 LEU 16 3HD2 LEU 16 -10.654 3.703 -4.616 149 H LYS 17 H LYS 17 -10.961 5.982 -0.730 150 HA LYS 17 HA LYS 17 -10.305 8.201 -2.302 151 HB2 LYS 17 2HB LYS 17 -12.218 7.959 0.024 152 HB3 LYS 17 1HB LYS 17 -12.111 9.359 -1.035 153 HG2 LYS 17 2HG LYS 17 -12.773 8.040 -2.935 154 HG3 LYS 17 1HG LYS 17 -12.762 6.568 -1.975 155 HD2 LYS 17 2HD LYS 17 -14.578 7.467 -0.589 156 HD3 LYS 17 1HD LYS 17 -14.576 8.948 -1.547 157 HE2 LYS 17 2HE LYS 17 -15.173 7.675 -3.535 158 HE3 LYS 17 1HE LYS 17 -15.139 6.177 -2.606 159 HZ1 LYS 17 1HZ LYS 17 -17.392 6.970 -2.891 160 HZ2 LYS 17 2HZ LYS 17 -17.010 8.448 -2.168 161 HZ3 LYS 17 3HZ LYS 17 -16.969 7.027 -1.271 162 H ARG 18 H ARG 18 -8.861 7.208 0.506 163 HA ARG 18 HA ARG 18 -8.033 9.986 1.194 164 HB2 ARG 18 2HB ARG 18 -8.189 7.649 3.113 165 HB3 ARG 18 1HB ARG 18 -7.712 9.293 3.517 166 HG2 ARG 18 2HG ARG 18 -9.982 10.056 2.882 167 HG3 ARG 18 1HG ARG 18 -10.427 8.376 2.603 168 HD2 ARG 18 2HD ARG 18 -9.841 7.898 4.981 169 HD3 ARG 18 1HD ARG 18 -9.573 9.625 5.208 170 HE ARG 18 HE ARG 18 -12.134 8.951 4.097 171 HH11 ARG 18 1HH1 ARG 18 -10.388 9.528 7.127 172 HH12 ARG 18 2HH1 ARG 18 -11.796 9.889 8.016 173 HH21 ARG 18 1HH2 ARG 18 -14.046 9.391 5.324 174 HH22 ARG 18 2HH2 ARG 18 -13.932 9.780 6.970 175 H ILE 19 H ILE 19 -6.913 7.613 -0.497 176 HA ILE 19 HA ILE 19 -4.224 7.541 0.699 177 HB ILE 19 HB ILE 19 -5.382 5.699 -1.433 178 HG12 ILE 19 2HG1 ILE 19 -4.896 5.083 1.464 179 HG13 ILE 19 1HG1 ILE 19 -6.486 5.565 0.856 180 HG21 ILE 19 1HG2 ILE 19 -2.863 5.473 0.273 181 HG22 ILE 19 2HG2 ILE 19 -2.895 5.835 -1.444 182 HG23 ILE 19 3HG2 ILE 19 -3.428 4.261 -0.860 183 HD11 ILE 19 1HD1 ILE 19 -6.361 3.587 -0.682 184 HD12 ILE 19 2HD1 ILE 19 -6.396 3.148 1.039 185 HD13 ILE 19 3HD1 ILE 19 -4.909 3.112 0.092 186 H LYS 20 H LYS 20 -2.533 8.344 -0.483 187 HA LYS 20 HA LYS 20 -3.214 9.808 -2.891 188 HB2 LYS 20 2HB LYS 20 -0.670 9.850 -1.250 189 HB3 LYS 20 1HB LYS 20 -0.984 10.882 -2.623 190 HG2 LYS 20 2HG LYS 20 -2.372 10.849 -0.022 191 HG3 LYS 20 1HG LYS 20 -1.335 12.121 -0.692 192 HD2 LYS 20 2HD LYS 20 -4.012 11.201 -1.631 193 HD3 LYS 20 1HD LYS 20 -3.648 12.742 -0.881 194 HE2 LYS 20 2HE LYS 20 -2.566 11.899 -3.595 195 HE3 LYS 20 1HE LYS 20 -3.899 13.014 -3.344 196 HZ1 LYS 20 1HZ LYS 20 -2.398 14.501 -2.200 197 HZ2 LYS 20 2HZ LYS 20 -1.848 14.174 -3.761 198 HZ3 LYS 20 3HZ LYS 20 -1.098 13.444 -2.436 199 H SER 21 H SER 21 -0.967 7.255 -1.816 200 HA SER 21 HA SER 21 -0.736 6.078 -4.325 201 HB2 SER 21 2HB SER 21 1.667 6.728 -4.795 202 HB3 SER 21 1HB SER 21 0.503 8.035 -5.034 203 HG SER 21 HG SER 21 2.119 8.891 -3.913 204 H TYR 22 H TYR 22 1.279 4.558 -4.290 205 HA TYR 22 HA TYR 22 1.987 3.802 -1.532 206 HB2 TYR 22 2HB TYR 22 1.553 1.466 -1.976 207 HB3 TYR 22 1HB TYR 22 0.080 2.385 -2.220 208 HD1 TYR 22 1HD TYR 22 -1.057 2.220 -4.216 209 HD2 TYR 22 2HD TYR 22 2.900 0.752 -4.033 210 HE1 TYR 22 1HE TYR 22 -1.323 1.192 -6.424 211 HE2 TYR 22 2HE TYR 22 2.644 -0.265 -6.241 212 HH TYR 22 HH TYR 22 0.161 0.533 -8.256 213 H THR 23 H THR 23 3.643 2.112 -1.564 214 HA THR 23 HA THR 23 5.541 2.431 -3.779 215 HB THR 23 HB THR 23 6.071 2.099 -0.813 216 HG1 THR 23 1HG THR 23 7.076 4.216 -2.342 217 HG21 THR 23 1HG2 THR 23 7.707 0.854 -2.123 218 HG22 THR 23 2HG2 THR 23 8.473 2.274 -1.391 219 HG23 THR 23 3HG2 THR 23 8.040 2.279 -3.106 220 H ILE 24 H ILE 24 6.220 0.518 -4.652 221 HA ILE 24 HA ILE 24 5.033 -1.912 -3.648 222 HB ILE 24 HB ILE 24 6.905 -1.489 -6.005 223 HG12 ILE 24 2HG1 ILE 24 3.906 -1.854 -5.926 224 HG13 ILE 24 1HG1 ILE 24 4.752 -0.347 -6.283 225 HG21 ILE 24 1HG2 ILE 24 5.245 -3.901 -5.231 226 HG22 ILE 24 2HG2 ILE 24 7.002 -3.782 -5.157 227 HG23 ILE 24 3HG2 ILE 24 6.180 -3.740 -6.717 228 HD11 ILE 24 1HD1 ILE 24 4.846 -2.867 -7.924 229 HD12 ILE 24 2HD1 ILE 24 5.684 -1.361 -8.300 230 HD13 ILE 24 3HD1 ILE 24 3.921 -1.416 -8.303 231 H GLN 25 H GLN 25 5.995 -2.850 -1.992 232 HA GLN 25 HA GLN 25 8.860 -2.682 -1.731 233 HB2 GLN 25 2HB GLN 25 7.783 -2.387 0.308 234 HB3 GLN 25 1HB GLN 25 6.680 -3.718 0.106 235 HG2 GLN 25 2HG GLN 25 8.510 -5.274 0.382 236 HG3 GLN 25 1HG GLN 25 9.631 -3.921 0.550 237 HE21 GLN 25 1HE2 GLN 25 8.797 -6.080 2.421 238 HE22 GLN 25 2HE2 GLN 25 8.355 -5.250 3.856 239 H SER 26 H SER 26 10.068 -4.034 -2.647 240 HA SER 26 HA SER 26 9.004 -6.507 -3.622 241 HB2 SER 26 2HB SER 26 10.442 -5.119 -5.058 242 HB3 SER 26 1HB SER 26 11.757 -5.287 -3.899 243 HG SER 26 HG SER 26 12.026 -6.797 -5.494 244 H ASN 27 H ASN 27 9.291 -8.349 -2.641 245 HA ASN 27 HA ASN 27 10.585 -8.418 -0.097 246 HB2 ASN 27 2HB ASN 27 9.724 -10.646 0.065 247 HB3 ASN 27 1HB ASN 27 8.473 -9.524 -0.428 248 HD21 ASN 27 1HD2 ASN 27 8.378 -12.174 -0.658 249 HD22 ASN 27 2HD2 ASN 27 8.355 -12.616 -2.343 250 H GLU 28 H GLU 28 11.624 -8.662 -3.152 251 HA GLU 28 HA GLU 28 13.685 -10.590 -2.869 252 HB2 GLU 28 2HB GLU 28 13.446 -8.218 -4.727 253 HB3 GLU 28 1HB GLU 28 14.599 -9.533 -4.905 254 HG2 GLU 28 2HG GLU 28 12.772 -11.103 -5.257 255 HG3 GLU 28 1HG GLU 28 11.600 -9.812 -5.020 256 H ALA 29 H ALA 29 13.329 -7.128 -2.263 257 HA ALA 29 HA ALA 29 16.128 -6.964 -1.355 258 HB1 ALA 29 1HB ALA 29 15.911 -4.546 -1.577 259 HB2 ALA 29 2HB ALA 29 14.207 -4.728 -1.994 260 HB3 ALA 29 3HB ALA 29 15.449 -5.351 -3.078 261 H CYS 30 H CYS 30 12.835 -6.641 -0.266 262 HA CYS 30 HA CYS 30 13.742 -5.919 2.451 263 HB2 CYS 30 2HB CYS 30 10.933 -5.991 1.344 264 HB3 CYS 30 1HB CYS 30 11.442 -5.316 2.873 265 H ASN 31 H ASN 31 12.397 -7.089 4.176 266 HA ASN 31 HA ASN 31 12.911 -9.856 3.935 267 HB2 ASN 31 2HB ASN 31 12.919 -8.608 6.085 268 HB3 ASN 31 1HB ASN 31 11.187 -8.382 5.947 269 HD21 ASN 31 1HD2 ASN 31 12.813 -9.646 8.003 270 HD22 ASN 31 2HD2 ASN 31 12.200 -11.236 8.216 271 H ILE 32 H ILE 32 9.838 -8.065 4.001 272 HA ILE 32 HA ILE 32 8.539 -10.461 2.868 273 HB ILE 32 HB ILE 32 6.442 -9.752 3.919 274 HG12 ILE 32 2HG1 ILE 32 8.033 -7.451 5.083 275 HG13 ILE 32 1HG1 ILE 32 6.840 -7.312 3.799 276 HG21 ILE 32 1HG2 ILE 32 8.720 -9.678 5.843 277 HG22 ILE 32 2HG2 ILE 32 7.964 -11.154 5.224 278 HG23 ILE 32 3HG2 ILE 32 7.044 -10.047 6.268 279 HD11 ILE 32 1HD1 ILE 32 6.294 -8.219 6.619 280 HD12 ILE 32 2HD1 ILE 32 5.100 -8.046 5.335 281 HD13 ILE 32 3HD1 ILE 32 5.939 -6.625 5.950 282 H LYS 33 H LYS 33 6.424 -9.737 1.706 283 HA LYS 33 HA LYS 33 7.116 -7.495 0.047 284 HB2 LYS 33 2HB LYS 33 6.633 -9.574 -1.177 285 HB3 LYS 33 1HB LYS 33 5.066 -9.680 -0.391 286 HG2 LYS 33 2HG LYS 33 4.349 -7.638 -1.499 287 HG3 LYS 33 1HG LYS 33 5.927 -7.491 -2.257 288 HD2 LYS 33 2HD LYS 33 5.590 -9.579 -3.445 289 HD3 LYS 33 1HD LYS 33 4.030 -9.797 -2.644 290 HE2 LYS 33 2HE LYS 33 3.175 -7.792 -3.702 291 HE3 LYS 33 1HE LYS 33 4.745 -7.481 -4.438 292 HZ1 LYS 33 1HZ LYS 33 3.035 -9.849 -4.991 293 HZ2 LYS 33 2HZ LYS 33 4.524 -9.502 -5.694 294 HZ3 LYS 33 3HZ LYS 33 3.200 -8.519 -5.993 295 H ALA 34 H ALA 34 6.158 -5.639 0.961 296 HA ALA 34 HA ALA 34 3.350 -5.810 1.747 297 HB1 ALA 34 1HB ALA 34 4.668 -5.997 3.804 298 HB2 ALA 34 2HB ALA 34 3.800 -4.464 3.757 299 HB3 ALA 34 3HB ALA 34 5.525 -4.516 3.395 300 H ILE 35 H ILE 35 2.386 -4.451 0.390 301 HA ILE 35 HA ILE 35 3.699 -2.274 -0.905 302 HB ILE 35 HB ILE 35 0.727 -2.739 -0.513 303 HG12 ILE 35 2HG1 ILE 35 1.852 -4.601 -1.610 304 HG13 ILE 35 1HG1 ILE 35 0.761 -3.780 -2.728 305 HG21 ILE 35 1HG2 ILE 35 0.426 -1.281 -2.504 306 HG22 ILE 35 2HG2 ILE 35 2.148 -0.951 -2.498 307 HG23 ILE 35 3HG2 ILE 35 1.155 -0.429 -1.152 308 HD11 ILE 35 1HD1 ILE 35 2.779 -4.404 -3.843 309 HD12 ILE 35 2HD1 ILE 35 3.774 -3.584 -2.629 310 HD13 ILE 35 3HD1 ILE 35 2.734 -2.643 -3.697 311 H ILE 36 H ILE 36 4.013 -0.165 -0.212 312 HA ILE 36 HA ILE 36 2.916 0.392 2.442 313 HB ILE 36 HB ILE 36 5.114 1.976 1.073 314 HG12 ILE 36 2HG1 ILE 36 6.609 0.830 2.880 315 HG13 ILE 36 1HG1 ILE 36 5.342 -0.385 2.911 316 HG21 ILE 36 1HG2 ILE 36 3.952 3.193 2.792 317 HG22 ILE 36 2HG2 ILE 36 5.602 2.784 3.288 318 HG23 ILE 36 3HG2 ILE 36 4.238 1.868 3.934 319 HD11 ILE 36 1HD1 ILE 36 5.711 -0.826 0.573 320 HD12 ILE 36 2HD1 ILE 36 7.202 -0.981 1.531 321 HD13 ILE 36 3HD1 ILE 36 6.923 0.467 0.543 322 H PHE 37 H PHE 37 1.147 1.465 2.393 323 HA PHE 37 HA PHE 37 0.333 3.169 0.248 324 HB2 PHE 37 2HB PHE 37 -0.818 2.048 2.735 325 HB3 PHE 37 1HB PHE 37 -1.610 3.419 1.955 326 HD1 PHE 37 1HD PHE 37 -0.014 0.303 0.648 327 HD2 PHE 37 2HD PHE 37 -3.400 2.726 0.958 328 HE1 PHE 37 1HE PHE 37 -1.245 -1.241 -0.887 329 HE2 PHE 37 2HE PHE 37 -4.660 1.202 -0.577 330 HZ PHE 37 HZ PHE 37 -3.544 -0.770 -1.476 331 H THR 38 H THR 38 0.086 5.292 0.365 332 HA THR 38 HA THR 38 0.786 6.574 2.900 333 HB THR 38 HB THR 38 1.313 7.663 0.118 334 HG1 THR 38 1HG THR 38 2.556 5.838 1.509 335 HG21 THR 38 1HG2 THR 38 0.958 9.358 1.815 336 HG22 THR 38 2HG2 THR 38 2.662 9.324 1.361 337 HG23 THR 38 3HG2 THR 38 2.112 8.578 2.880 338 H THR 39 H THR 39 -0.732 8.101 3.654 339 HA THR 39 HA THR 39 -3.166 8.154 2.127 340 HB THR 39 HB THR 39 -3.988 9.314 4.233 341 HG1 THR 39 1HG THR 39 -2.494 8.560 6.048 342 HG21 THR 39 1HG2 THR 39 -4.473 6.965 3.762 343 HG22 THR 39 2HG2 THR 39 -4.167 7.192 5.484 344 HG23 THR 39 3HG2 THR 39 -2.920 6.492 4.451 345 H LYS 40 H LYS 40 -4.333 10.377 2.403 346 HA LYS 40 HA LYS 40 -2.758 12.345 1.148 347 HB2 LYS 40 2HB LYS 40 -5.260 12.778 2.712 348 HB3 LYS 40 1HB LYS 40 -4.670 13.834 1.428 349 HG2 LYS 40 2HG LYS 40 -4.961 11.532 -0.006 350 HG3 LYS 40 1HG LYS 40 -6.070 11.227 1.287 351 HD2 LYS 40 2HD LYS 40 -7.369 13.153 0.829 352 HD3 LYS 40 1HD LYS 40 -6.164 13.723 -0.341 353 HE2 LYS 40 2HE LYS 40 -6.580 11.765 -1.725 354 HE3 LYS 40 1HE LYS 40 -7.819 11.220 -0.602 355 HZ1 LYS 40 1HZ LYS 40 -9.090 13.235 -1.100 356 HZ2 LYS 40 2HZ LYS 40 -8.779 12.342 -2.492 357 HZ3 LYS 40 3HZ LYS 40 -7.896 13.734 -2.190 358 H LYS 41 H LYS 41 -3.122 11.416 4.370 359 HA LYS 41 HA LYS 41 -2.276 13.836 5.669 360 HB2 LYS 41 2HB LYS 41 -3.529 11.842 6.729 361 HB3 LYS 41 1HB LYS 41 -2.044 10.982 6.582 362 HG2 LYS 41 2HG LYS 41 -2.300 11.822 8.868 363 HG3 LYS 41 1HG LYS 41 -0.870 12.475 8.067 364 HD2 LYS 41 2HD LYS 41 -2.111 14.558 7.594 365 HD3 LYS 41 1HD LYS 41 -3.515 13.895 8.432 366 HE2 LYS 41 2HE LYS 41 -2.199 13.741 10.498 367 HE3 LYS 41 1HE LYS 41 -0.801 14.383 9.644 368 HZ1 LYS 41 1HZ LYS 41 -2.031 16.418 9.244 369 HZ2 LYS 41 2HZ LYS 41 -1.888 16.114 10.888 370 HZ3 LYS 41 3HZ LYS 41 -3.356 15.831 10.095 371 H GLY 42 H GLY 42 -0.928 11.351 3.854 372 HA2 GLY 42 2HA GLY 42 1.171 11.185 2.982 373 HA3 GLY 42 1HA GLY 42 1.689 12.468 4.041 374 H ARG 43 H ARG 43 0.099 9.919 5.622 375 HA ARG 43 HA ARG 43 2.555 9.069 6.901 376 HB2 ARG 43 2HB ARG 43 -0.276 8.172 7.215 377 HB3 ARG 43 1HB ARG 43 1.055 7.505 8.148 378 HG2 ARG 43 2HG ARG 43 1.468 9.813 9.049 379 HG3 ARG 43 1HG ARG 43 0.006 10.329 8.205 380 HD2 ARG 43 2HD ARG 43 -1.334 8.776 9.472 381 HD3 ARG 43 1HD ARG 43 0.105 8.112 10.237 382 HE ARG 43 HE ARG 43 0.003 10.853 10.734 383 HH11 ARG 43 1HH1 ARG 43 -1.796 7.900 11.595 384 HH12 ARG 43 2HH1 ARG 43 -2.267 8.462 13.120 385 HH21 ARG 43 1HH2 ARG 43 -0.652 11.618 12.883 386 HH22 ARG 43 2HH2 ARG 43 -1.589 10.604 13.867 387 H LYS 44 H LYS 44 3.138 6.790 7.100 388 HA LYS 44 HA LYS 44 2.711 5.404 4.565 389 HB2 LYS 44 2HB LYS 44 4.854 5.082 6.656 390 HB3 LYS 44 1HB LYS 44 4.748 4.146 5.175 391 HG2 LYS 44 2HG LYS 44 5.163 7.129 5.341 392 HG3 LYS 44 1HG LYS 44 6.411 5.922 5.010 393 HD2 LYS 44 2HD LYS 44 5.239 5.253 2.983 394 HD3 LYS 44 1HD LYS 44 3.965 6.426 3.317 395 HE2 LYS 44 2HE LYS 44 5.577 8.233 3.144 396 HE3 LYS 44 1HE LYS 44 6.864 7.071 2.816 397 HZ1 LYS 44 1HZ LYS 44 4.440 7.384 1.161 398 HZ2 LYS 44 2HZ LYS 44 5.766 6.444 0.788 399 HZ3 LYS 44 3HZ LYS 44 5.884 8.139 0.781 400 H ILE 45 H ILE 45 1.470 3.743 4.546 401 HA ILE 45 HA ILE 45 0.902 2.278 7.029 402 HB ILE 45 HB ILE 45 -0.953 2.609 4.638 403 HG12 ILE 45 2HG1 ILE 45 -2.468 3.892 6.257 404 HG13 ILE 45 1HG1 ILE 45 -1.072 4.003 7.335 405 HG21 ILE 45 1HG2 ILE 45 -1.437 1.331 7.306 406 HG22 ILE 45 2HG2 ILE 45 -1.274 0.519 5.750 407 HG23 ILE 45 3HG2 ILE 45 -2.655 1.572 6.056 408 HD11 ILE 45 1HD1 ILE 45 -1.471 6.023 6.086 409 HD12 ILE 45 2HD1 ILE 45 -1.308 5.133 4.573 410 HD13 ILE 45 3HD1 ILE 45 0.084 5.306 5.648 411 H CYS 46 H CYS 46 1.999 0.436 6.893 412 HA CYS 46 HA CYS 46 2.767 -0.808 4.408 413 HB2 CYS 46 2HB CYS 46 2.839 -1.911 7.220 414 HB3 CYS 46 1HB CYS 46 3.757 -2.532 5.880 415 H ALA 47 H ALA 47 1.314 -1.983 3.241 416 HA ALA 47 HA ALA 47 -0.846 -3.256 4.766 417 HB1 ALA 47 1HB ALA 47 -0.970 -2.139 1.975 418 HB2 ALA 47 2HB ALA 47 -1.612 -1.363 3.423 419 HB3 ALA 47 3HB ALA 47 -2.293 -2.891 2.865 420 H ASN 48 H ASN 48 -1.561 -5.249 4.164 421 HA ASN 48 HA ASN 48 0.321 -6.953 2.886 422 HB2 ASN 48 2HB ASN 48 -0.833 -7.878 4.672 423 HB3 ASN 48 1HB ASN 48 -2.408 -7.364 4.138 424 HD21 ASN 48 1HD2 ASN 48 0.156 -9.008 2.314 425 HD22 ASN 48 2HD2 ASN 48 -0.815 -10.426 2.007 426 HA PRO 49 HA PRO 49 -1.171 -5.958 -1.240 427 HB2 PRO 49 2HB PRO 49 0.330 -7.903 -2.456 428 HB3 PRO 49 1HB PRO 49 0.887 -6.259 -2.154 429 HG2 PRO 49 2HG PRO 49 1.444 -8.765 -0.641 430 HG3 PRO 49 1HG PRO 49 2.486 -7.360 -0.924 431 HD2 PRO 49 2HD PRO 49 1.292 -7.789 1.434 432 HD3 PRO 49 1HD PRO 49 1.558 -6.156 0.802 433 H ASN 50 H ASN 50 -1.244 -9.029 0.368 434 HA ASN 50 HA ASN 50 -2.703 -10.291 -1.684 435 HB2 ASN 50 2HB ASN 50 -2.198 -11.125 1.155 436 HB3 ASN 50 1HB ASN 50 -2.975 -12.127 -0.068 437 HD21 ASN 50 1HD2 ASN 50 -0.413 -12.337 1.419 438 HD22 ASN 50 2HD2 ASN 50 0.792 -12.616 0.215 439 H GLU 51 H GLU 51 -3.530 -7.959 0.570 440 HA GLU 51 HA GLU 51 -6.115 -8.993 1.221 441 HB2 GLU 51 2HB GLU 51 -5.080 -6.199 1.610 442 HB3 GLU 51 1HB GLU 51 -6.537 -6.870 2.322 443 HG2 GLU 51 2HG GLU 51 -4.895 -8.612 3.376 444 HG3 GLU 51 1HG GLU 51 -3.709 -7.449 2.861 445 H LYS 52 H LYS 52 -7.928 -8.624 0.310 446 HA LYS 52 HA LYS 52 -8.245 -8.055 -2.330 447 HB2 LYS 52 2HB LYS 52 -9.858 -9.204 -0.858 448 HB3 LYS 52 1HB LYS 52 -10.273 -7.662 -0.146 449 HG2 LYS 52 2HG LYS 52 -11.087 -6.888 -2.320 450 HG3 LYS 52 1HG LYS 52 -10.697 -8.465 -3.008 451 HD2 LYS 52 2HD LYS 52 -12.220 -9.523 -1.390 452 HD3 LYS 52 1HD LYS 52 -12.632 -7.925 -0.771 453 HE2 LYS 52 2HE LYS 52 -13.455 -7.307 -3.008 454 HE3 LYS 52 1HE LYS 52 -13.104 -8.944 -3.559 455 HZ1 LYS 52 1HZ LYS 52 -14.956 -8.237 -1.375 456 HZ2 LYS 52 2HZ LYS 52 -14.692 -9.798 -1.959 457 HZ3 LYS 52 3HZ LYS 52 -15.436 -8.641 -2.944 458 H TRP 53 H TRP 53 -8.578 -5.738 0.386 459 HA TRP 53 HA TRP 53 -9.579 -3.639 -1.247 460 HB2 TRP 53 2HB TRP 53 -9.284 -2.151 0.641 461 HB3 TRP 53 1HB TRP 53 -9.858 -3.687 1.257 462 HD1 TRP 53 HD TRP 53 -7.910 -5.228 2.566 463 HE1 TRP 53 1HE TRP 53 -5.862 -4.446 3.920 464 HE3 TRP 53 3HE TRP 53 -7.562 -0.413 0.869 465 HZ2 TRP 53 2HZ TRP 53 -4.342 -2.134 4.259 466 HZ3 TRP 53 3HZ TRP 53 -5.778 1.011 1.770 467 HH2 TRP 53 HH TRP 53 -4.202 0.169 3.430 468 H VAL 54 H VAL 54 -6.365 -4.651 -0.361 469 HA VAL 54 HA VAL 54 -4.985 -2.360 -1.285 470 HB VAL 54 HB VAL 54 -4.007 -5.208 -0.883 471 HG11 VAL 54 1HG1 VAL 54 -2.495 -2.665 -1.346 472 HG12 VAL 54 2HG1 VAL 54 -2.497 -4.081 -2.385 473 HG13 VAL 54 3HG1 VAL 54 -1.742 -4.146 -0.772 474 HG21 VAL 54 1HG2 VAL 54 -3.759 -2.771 0.854 475 HG22 VAL 54 2HG2 VAL 54 -3.075 -4.364 1.197 476 HG23 VAL 54 3HG2 VAL 54 -4.823 -4.143 1.144 477 H GLN 55 H GLN 55 -5.872 -5.424 -2.676 478 HA GLN 55 HA GLN 55 -4.481 -5.078 -5.076 479 HB2 GLN 55 2HB GLN 55 -6.838 -6.838 -4.481 480 HB3 GLN 55 1HB GLN 55 -5.803 -6.964 -5.912 481 HG2 GLN 55 2HG GLN 55 -3.859 -7.182 -4.411 482 HG3 GLN 55 1HG GLN 55 -4.963 -7.241 -3.055 483 HE21 GLN 55 1HE2 GLN 55 -3.031 -9.048 -3.900 484 HE22 GLN 55 2HE2 GLN 55 -3.779 -10.548 -4.232 485 H LYS 56 H LYS 56 -7.680 -4.109 -4.051 486 HA LYS 56 HA LYS 56 -8.525 -3.164 -6.626 487 HB2 LYS 56 2HB LYS 56 -9.448 -2.369 -3.858 488 HB3 LYS 56 1HB LYS 56 -10.192 -1.822 -5.347 489 HG2 LYS 56 2HG LYS 56 -10.798 -4.149 -5.869 490 HG3 LYS 56 1HG LYS 56 -10.086 -4.657 -4.332 491 HD2 LYS 56 2HD LYS 56 -11.637 -3.239 -3.115 492 HD3 LYS 56 1HD LYS 56 -12.317 -2.654 -4.631 493 HE2 LYS 56 2HE LYS 56 -13.057 -4.941 -5.158 494 HE3 LYS 56 1HE LYS 56 -12.401 -5.492 -3.617 495 HZ1 LYS 56 1HZ LYS 56 -14.815 -5.084 -3.510 496 HZ2 LYS 56 2HZ LYS 56 -14.558 -3.460 -3.894 497 HZ3 LYS 56 3HZ LYS 56 -13.964 -4.083 -2.465 498 H ALA 57 H ALA 57 -7.192 -1.633 -3.725 499 HA ALA 57 HA ALA 57 -7.123 0.992 -4.604 500 HB1 ALA 57 1HB ALA 57 -5.461 1.391 -2.862 501 HB2 ALA 57 2HB ALA 57 -5.205 -0.333 -2.666 502 HB3 ALA 57 3HB ALA 57 -6.777 0.377 -2.269 503 H MET 58 H MET 58 -4.626 -1.500 -4.903 504 HA MET 58 HA MET 58 -2.734 0.143 -5.992 505 HB2 MET 58 2HB MET 58 -3.064 -2.820 -6.262 506 HB3 MET 58 1HB MET 58 -1.693 -1.998 -6.982 507 HG2 MET 58 2HG MET 58 -1.223 -1.089 -4.657 508 HG3 MET 58 1HG MET 58 -2.423 -2.235 -4.079 509 HE1 MET 58 1HE MET 58 -0.718 -5.644 -5.015 510 HE2 MET 58 2HE MET 58 -1.858 -4.783 -6.054 511 HE3 MET 58 3HE MET 58 -2.153 -4.906 -4.307 512 H LYS 59 H LYS 59 -5.340 -1.528 -7.598 513 HA LYS 59 HA LYS 59 -4.389 -1.037 -10.231 514 HB2 LYS 59 2HB LYS 59 -7.217 -1.542 -9.273 515 HB3 LYS 59 1HB LYS 59 -6.686 -1.604 -10.949 516 HG2 LYS 59 2HG LYS 59 -5.199 -3.468 -10.420 517 HG3 LYS 59 1HG LYS 59 -5.697 -3.386 -8.734 518 HD2 LYS 59 2HD LYS 59 -8.012 -3.904 -9.424 519 HD3 LYS 59 1HD LYS 59 -7.461 -4.044 -11.094 520 HE2 LYS 59 2HE LYS 59 -5.934 -5.850 -10.438 521 HE3 LYS 59 1HE LYS 59 -6.495 -5.717 -8.773 522 HZ1 LYS 59 1HZ LYS 59 -8.724 -6.370 -9.537 523 HZ2 LYS 59 2HZ LYS 59 -7.579 -7.530 -9.928 524 HZ3 LYS 59 3HZ LYS 59 -8.162 -6.494 -11.107 525 H HIS 60 H HIS 60 -6.454 0.734 -8.017 526 HA HIS 60 HA HIS 60 -7.140 2.776 -9.869 527 HB2 HIS 60 2HB HIS 60 -8.609 2.301 -8.042 528 HB3 HIS 60 1HB HIS 60 -7.324 2.552 -6.869 529 HD1 HIS 60 1HD HIS 60 -9.686 4.435 -9.128 530 HD2 HIS 60 2HD HIS 60 -7.003 5.111 -6.066 531 HE1 HIS 60 1HE HIS 60 -10.081 6.809 -8.438 532 HE2 HIS 60 2HE HIS 60 -8.299 7.278 -6.722 533 H LEU 61 H LEU 61 -4.718 2.450 -7.331 534 HA LEU 61 HA LEU 61 -3.800 5.144 -7.537 535 HB2 LEU 61 2HB LEU 61 -2.613 2.732 -6.190 536 HB3 LEU 61 1HB LEU 61 -1.953 4.350 -6.059 537 HG LEU 61 HG LEU 61 -4.715 3.547 -5.134 538 HD11 LEU 61 1HD1 LEU 61 -2.175 3.959 -3.546 539 HD12 LEU 61 2HD1 LEU 61 -3.018 2.423 -3.796 540 HD13 LEU 61 3HD1 LEU 61 -3.783 3.704 -2.876 541 HD21 LEU 61 1HD2 LEU 61 -3.083 6.042 -4.681 542 HD22 LEU 61 2HD2 LEU 61 -4.662 5.708 -3.967 543 HD23 LEU 61 3HD2 LEU 61 -4.511 5.922 -5.714 544 H ASP 62 H ASP 62 -2.828 2.122 -9.060 545 HA ASP 62 HA ASP 62 -0.334 3.231 -10.016 546 HB2 ASP 62 2HB ASP 62 -0.646 0.774 -9.589 547 HB3 ASP 62 1HB ASP 62 -1.782 0.751 -10.915 548 H LYS 63 H LYS 63 -3.598 2.885 -11.165 549 HA LYS 63 HA LYS 63 -2.748 3.921 -13.711 550 HB2 LYS 63 2HB LYS 63 -5.289 2.488 -13.019 551 HB3 LYS 63 1HB LYS 63 -4.846 3.045 -14.626 552 HG2 LYS 63 2HG LYS 63 -2.885 1.550 -14.577 553 HG3 LYS 63 1HG LYS 63 -3.390 0.968 -13.007 554 HD2 LYS 63 2HD LYS 63 -5.107 0.725 -15.486 555 HD3 LYS 63 1HD LYS 63 -3.987 -0.519 -14.968 556 HE2 LYS 63 2HE LYS 63 -6.220 -1.123 -14.251 557 HE3 LYS 63 1HE LYS 63 -5.266 -0.721 -12.836 558 HZ1 LYS 63 1HZ LYS 63 -7.189 1.139 -14.133 559 HZ2 LYS 63 2HZ LYS 63 -6.418 1.375 -12.657 560 HZ3 LYS 63 3HZ LYS 63 -7.583 0.168 -12.842 561 H LYS 64 H LYS 64 -2.663 6.085 -12.705 562 HA LYS 64 HA LYS 64 -5.203 7.272 -13.072 563 HB2 LYS 64 2HB LYS 64 -4.883 8.740 -10.994 564 HB3 LYS 64 1HB LYS 64 -5.376 7.079 -10.736 565 HG2 LYS 64 2HG LYS 64 -3.825 7.448 -9.038 566 HG3 LYS 64 1HG LYS 64 -2.858 6.651 -10.269 567 HD2 LYS 64 2HD LYS 64 -2.061 8.896 -10.997 568 HD3 LYS 64 1HD LYS 64 -2.970 9.604 -9.663 569 HE2 LYS 64 2HE LYS 64 -0.656 9.359 -9.002 570 HE3 LYS 64 1HE LYS 64 -1.645 8.215 -8.097 571 HZ1 LYS 64 1HZ LYS 64 -0.943 6.453 -9.600 572 HZ2 LYS 64 2HZ LYS 64 0.421 7.207 -8.983 573 HZ3 LYS 64 3HZ LYS 64 -0.101 7.569 -10.530 Start of MODEL 18 1 H1 ALA 1 1HT ALA 1 10.676 1.428 12.908 2 H2 ALA 1 2HT ALA 1 10.981 0.792 11.386 3 H3 ALA 1 3HT ALA 1 9.971 2.124 11.544 4 HA ALA 1 HA ALA 1 11.758 3.498 12.293 5 HB1 ALA 1 1HB ALA 1 13.500 1.079 11.781 6 HB2 ALA 1 2HB ALA 1 13.092 1.731 13.367 7 HB3 ALA 1 3HB ALA 1 14.063 2.684 12.240 8 H ARG 2 H ARG 2 12.682 1.074 9.842 9 HA ARG 2 HA ARG 2 13.207 3.088 7.878 10 HB2 ARG 2 2HB ARG 2 14.453 0.922 8.047 11 HB3 ARG 2 1HB ARG 2 12.980 0.071 7.631 12 HG2 ARG 2 2HG ARG 2 13.001 1.066 5.416 13 HG3 ARG 2 1HG ARG 2 14.431 2.016 5.835 14 HD2 ARG 2 2HD ARG 2 15.680 -0.064 6.224 15 HD3 ARG 2 1HD ARG 2 14.263 -0.998 5.766 16 HE ARG 2 HE ARG 2 14.852 0.727 3.661 17 HH11 ARG 2 1HH1 ARG 2 16.382 -2.007 5.288 18 HH12 ARG 2 2HH1 ARG 2 17.220 -2.549 3.917 19 HH21 ARG 2 1HH2 ARG 2 15.994 -0.039 1.756 20 HH22 ARG 2 2HH2 ARG 2 16.982 -1.412 1.863 21 H LYS 3 H LYS 3 11.720 3.962 6.582 22 HA LYS 3 HA LYS 3 8.956 3.115 6.827 23 HB2 LYS 3 2HB LYS 3 10.201 5.353 5.266 24 HB3 LYS 3 1HB LYS 3 8.475 5.141 5.511 25 HG2 LYS 3 2HG LYS 3 8.815 5.512 7.926 26 HG3 LYS 3 1HG LYS 3 10.540 5.743 7.630 27 HD2 LYS 3 2HD LYS 3 8.303 7.442 6.499 28 HD3 LYS 3 1HD LYS 3 9.389 7.900 7.813 29 HE2 LYS 3 2HE LYS 3 11.302 7.753 6.258 30 HE3 LYS 3 1HE LYS 3 10.203 7.311 4.957 31 HZ1 LYS 3 1HZ LYS 3 10.758 9.640 4.861 32 HZ2 LYS 3 2HZ LYS 3 10.229 9.878 6.427 33 HZ3 LYS 3 3HZ LYS 3 9.118 9.494 5.231 34 H SER 4 H SER 4 11.553 2.780 4.648 35 HA SER 4 HA SER 4 10.030 2.425 2.263 36 HB2 SER 4 2HB SER 4 12.890 1.689 2.853 37 HB3 SER 4 1HB SER 4 12.162 1.912 1.260 38 HG SER 4 HG SER 4 12.699 3.900 1.466 39 H CYS 5 H CYS 5 10.895 0.364 4.890 40 HA CYS 5 HA CYS 5 9.882 -1.904 3.370 41 HB2 CYS 5 2HB CYS 5 12.285 -1.987 5.205 42 HB3 CYS 5 1HB CYS 5 11.498 -3.398 4.525 43 H CYS 6 H CYS 6 8.420 -3.035 4.410 44 HA CYS 6 HA CYS 6 7.926 -2.450 7.224 45 HB2 CYS 6 2HB CYS 6 6.174 -3.300 4.959 46 HB3 CYS 6 1HB CYS 6 5.629 -3.191 6.632 47 H LEU 7 H LEU 7 7.461 -4.200 8.521 48 HA LEU 7 HA LEU 7 7.997 -6.865 7.402 49 HB2 LEU 7 2HB LEU 7 8.573 -5.837 10.200 50 HB3 LEU 7 1HB LEU 7 8.707 -7.507 9.722 51 HG LEU 7 HG LEU 7 10.546 -6.826 8.135 52 HD11 LEU 7 1HD1 LEU 7 11.681 -4.702 8.488 53 HD12 LEU 7 2HD1 LEU 7 10.408 -4.201 9.600 54 HD13 LEU 7 3HD1 LEU 7 10.038 -4.464 7.896 55 HD21 LEU 7 1HD2 LEU 7 11.023 -7.840 10.278 56 HD22 LEU 7 2HD2 LEU 7 10.967 -6.261 11.061 57 HD23 LEU 7 3HD2 LEU 7 12.232 -6.618 9.886 58 H LYS 8 H LYS 8 5.570 -4.990 8.123 59 HA LYS 8 HA LYS 8 3.957 -7.085 9.315 60 HB2 LYS 8 2HB LYS 8 2.820 -5.381 10.609 61 HB3 LYS 8 1HB LYS 8 4.513 -5.515 11.098 62 HG2 LYS 8 2HG LYS 8 5.004 -3.515 9.697 63 HG3 LYS 8 1HG LYS 8 3.295 -3.397 9.324 64 HD2 LYS 8 2HD LYS 8 4.468 -3.217 12.100 65 HD3 LYS 8 1HD LYS 8 3.996 -1.842 11.111 66 HE2 LYS 8 2HE LYS 8 1.686 -2.661 11.078 67 HE3 LYS 8 1HE LYS 8 2.168 -4.042 12.060 68 HZ1 LYS 8 1HZ LYS 8 1.169 -2.313 13.382 69 HZ2 LYS 8 2HZ LYS 8 2.343 -1.204 12.903 70 HZ3 LYS 8 3HZ LYS 8 2.772 -2.556 13.820 71 H TYR 9 H TYR 9 1.667 -6.697 8.842 72 HA TYR 9 HA TYR 9 1.132 -4.772 6.683 73 HB2 TYR 9 2HB TYR 9 -0.534 -7.352 6.942 74 HB3 TYR 9 1HB TYR 9 -0.395 -6.198 5.689 75 HD1 TYR 9 1HD TYR 9 1.225 -6.272 4.047 76 HD2 TYR 9 2HD TYR 9 1.283 -9.066 7.203 77 HE1 TYR 9 1HE TYR 9 2.766 -7.684 2.753 78 HE2 TYR 9 2HE TYR 9 2.827 -10.496 5.932 79 HH TYR 9 HH TYR 9 4.366 -9.363 3.095 80 H THR 10 H THR 10 -0.845 -3.636 6.966 81 HA THR 10 HA THR 10 -1.549 -3.238 9.643 82 HB THR 10 HB THR 10 -1.599 -1.367 8.111 83 HG1 THR 10 1HG THR 10 -4.237 -1.182 8.393 84 HG21 THR 10 1HG2 THR 10 -3.304 -1.146 6.347 85 HG22 THR 10 2HG2 THR 10 -3.858 -2.786 6.689 86 HG23 THR 10 3HG2 THR 10 -2.230 -2.509 6.056 87 H LYS 11 H LYS 11 -3.346 -3.730 10.784 88 HA LYS 11 HA LYS 11 -4.919 -5.999 9.916 89 HB2 LYS 11 2HB LYS 11 -4.882 -4.450 12.509 90 HB3 LYS 11 1HB LYS 11 -5.845 -5.884 12.217 91 HG2 LYS 11 2HG LYS 11 -2.834 -5.783 12.128 92 HG3 LYS 11 1HG LYS 11 -3.789 -6.337 13.502 93 HD2 LYS 11 2HD LYS 11 -4.756 -8.108 12.062 94 HD3 LYS 11 1HD LYS 11 -3.723 -7.561 10.741 95 HE2 LYS 11 2HE LYS 11 -1.744 -8.070 12.046 96 HE3 LYS 11 1HE LYS 11 -2.743 -8.545 13.414 97 HZ1 LYS 11 1HZ LYS 11 -1.973 -10.465 12.171 98 HZ2 LYS 11 2HZ LYS 11 -2.724 -9.902 10.763 99 HZ3 LYS 11 3HZ LYS 11 -3.643 -10.342 12.099 100 H ARG 12 H ARG 12 -5.197 -2.623 9.970 101 HA ARG 12 HA ARG 12 -8.109 -2.806 9.644 102 HB2 ARG 12 2HB ARG 12 -7.501 -1.393 11.532 103 HB3 ARG 12 1HB ARG 12 -6.429 -0.446 10.511 104 HG2 ARG 12 2HG ARG 12 -8.344 0.348 9.218 105 HG3 ARG 12 1HG ARG 12 -9.425 -0.625 10.214 106 HD2 ARG 12 2HD ARG 12 -8.771 0.673 12.187 107 HD3 ARG 12 1HD ARG 12 -7.662 1.611 11.201 108 HE ARG 12 HE ARG 12 -9.913 2.039 9.898 109 HH11 ARG 12 1HH1 ARG 12 -9.396 2.112 13.421 110 HH12 ARG 12 2HH1 ARG 12 -10.549 3.341 13.678 111 HH21 ARG 12 1HH2 ARG 12 -11.474 3.749 10.313 112 HH22 ARG 12 2HH2 ARG 12 -11.744 4.276 11.902 113 HA PRO 13 HA PRO 13 -7.242 -1.851 5.336 114 HB2 PRO 13 2HB PRO 13 -10.170 -1.383 5.316 115 HB3 PRO 13 1HB PRO 13 -9.200 -2.440 4.292 116 HG2 PRO 13 2HG PRO 13 -10.763 -3.444 6.200 117 HG3 PRO 13 1HG PRO 13 -9.176 -4.149 5.846 118 HD2 PRO 13 2HD PRO 13 -9.987 -2.366 8.110 119 HD3 PRO 13 1HD PRO 13 -8.887 -3.768 8.077 120 H LEU 14 H LEU 14 -6.826 0.011 4.383 121 HA LEU 14 HA LEU 14 -7.602 2.526 5.630 122 HB2 LEU 14 2HB LEU 14 -5.203 1.977 5.078 123 HB3 LEU 14 1HB LEU 14 -5.656 1.918 3.396 124 HG LEU 14 HG LEU 14 -6.215 4.327 3.504 125 HD11 LEU 14 1HD1 LEU 14 -5.426 5.630 5.405 126 HD12 LEU 14 2HD1 LEU 14 -4.963 4.158 6.241 127 HD13 LEU 14 3HD1 LEU 14 -6.673 4.488 5.921 128 HD21 LEU 14 1HD2 LEU 14 -3.434 3.536 4.335 129 HD22 LEU 14 2HD2 LEU 14 -3.882 5.060 3.568 130 HD23 LEU 14 3HD2 LEU 14 -4.070 3.540 2.695 131 HA PRO 15 HA PRO 15 -10.622 2.969 2.257 132 HB2 PRO 15 2HB PRO 15 -10.603 5.843 2.911 133 HB3 PRO 15 1HB PRO 15 -11.945 4.698 2.986 134 HG2 PRO 15 2HG PRO 15 -10.824 5.673 5.221 135 HG3 PRO 15 1HG PRO 15 -11.413 4.005 5.126 136 HD2 PRO 15 2HD PRO 15 -8.612 5.036 4.920 137 HD3 PRO 15 1HD PRO 15 -9.239 3.617 5.795 138 H LEU 16 H LEU 16 -10.358 3.415 0.137 139 HA LEU 16 HA LEU 16 -7.860 4.269 -0.845 140 HB2 LEU 16 2HB LEU 16 -9.173 2.720 -2.093 141 HB3 LEU 16 1HB LEU 16 -10.491 3.882 -2.254 142 HG LEU 16 HG LEU 16 -8.929 5.265 -3.603 143 HD11 LEU 16 1HD1 LEU 16 -6.924 4.154 -4.522 144 HD12 LEU 16 2HD1 LEU 16 -7.188 2.821 -3.400 145 HD13 LEU 16 3HD1 LEU 16 -6.828 4.428 -2.786 146 HD21 LEU 16 1HD2 LEU 16 -9.504 2.478 -4.520 147 HD22 LEU 16 2HD2 LEU 16 -9.152 3.878 -5.567 148 HD23 LEU 16 3HD2 LEU 16 -10.592 3.880 -4.543 149 H LYS 17 H LYS 17 -10.851 5.852 -0.347 150 HA LYS 17 HA LYS 17 -10.514 8.244 -1.747 151 HB2 LYS 17 2HB LYS 17 -11.895 7.760 0.884 152 HB3 LYS 17 1HB LYS 17 -12.045 9.219 -0.084 153 HG2 LYS 17 2HG LYS 17 -13.076 7.958 -1.874 154 HG3 LYS 17 1HG LYS 17 -12.864 6.459 -0.972 155 HD2 LYS 17 2HD LYS 17 -15.163 7.316 -0.764 156 HD3 LYS 17 1HD LYS 17 -14.333 7.297 0.789 157 HE2 LYS 17 2HE LYS 17 -13.880 9.685 0.593 158 HE3 LYS 17 1HE LYS 17 -14.649 9.716 -0.993 159 HZ1 LYS 17 1HZ LYS 17 -16.724 9.110 0.071 160 HZ2 LYS 17 2HZ LYS 17 -16.121 10.524 0.730 161 HZ3 LYS 17 3HZ LYS 17 -15.978 9.069 1.580 162 H ARG 18 H ARG 18 -8.623 7.093 0.711 163 HA ARG 18 HA ARG 18 -7.861 9.828 1.635 164 HB2 ARG 18 2HB ARG 18 -9.089 8.195 3.241 165 HB3 ARG 18 1HB ARG 18 -7.576 7.315 3.241 166 HG2 ARG 18 2HG ARG 18 -7.753 8.710 5.187 167 HG3 ARG 18 1HG ARG 18 -6.450 9.296 4.142 168 HD2 ARG 18 2HD ARG 18 -7.779 11.089 3.345 169 HD3 ARG 18 1HD ARG 18 -9.245 10.412 4.050 170 HE ARG 18 HE ARG 18 -7.418 10.841 6.082 171 HH11 ARG 18 1HH1 ARG 18 -9.189 12.862 3.738 172 HH12 ARG 18 2HH1 ARG 18 -9.473 14.118 4.829 173 HH21 ARG 18 1HH2 ARG 18 -7.845 12.561 7.583 174 HH22 ARG 18 2HH2 ARG 18 -8.681 13.961 7.084 175 H ILE 19 H ILE 19 -6.834 7.504 -0.331 176 HA ILE 19 HA ILE 19 -4.062 7.396 0.661 177 HB ILE 19 HB ILE 19 -5.334 5.655 -1.485 178 HG12 ILE 19 2HG1 ILE 19 -4.746 4.956 1.361 179 HG13 ILE 19 1HG1 ILE 19 -6.371 5.356 0.836 180 HG21 ILE 19 1HG2 ILE 19 -2.776 5.381 0.120 181 HG22 ILE 19 2HG2 ILE 19 -2.867 5.783 -1.600 182 HG23 ILE 19 3HG2 ILE 19 -3.380 4.196 -1.025 183 HD11 ILE 19 1HD1 ILE 19 -6.210 3.425 -0.766 184 HD12 ILE 19 2HD1 ILE 19 -6.121 2.962 0.943 185 HD13 ILE 19 3HD1 ILE 19 -4.670 3.049 -0.050 186 H LYS 20 H LYS 20 -2.492 8.360 -0.515 187 HA LYS 20 HA LYS 20 -3.268 9.718 -2.932 188 HB2 LYS 20 2HB LYS 20 -0.653 9.839 -1.433 189 HB3 LYS 20 1HB LYS 20 -1.074 10.861 -2.783 190 HG2 LYS 20 2HG LYS 20 -2.298 10.771 -0.101 191 HG3 LYS 20 1HG LYS 20 -1.357 12.080 -0.809 192 HD2 LYS 20 2HD LYS 20 -4.126 11.145 -1.559 193 HD3 LYS 20 1HD LYS 20 -3.697 12.590 -0.729 194 HE2 LYS 20 2HE LYS 20 -4.220 13.245 -2.998 195 HE3 LYS 20 1HE LYS 20 -2.520 13.522 -2.669 196 HZ1 LYS 20 1HZ LYS 20 -2.863 12.668 -4.853 197 HZ2 LYS 20 2HZ LYS 20 -3.679 11.312 -4.314 198 HZ3 LYS 20 3HZ LYS 20 -2.016 11.520 -4.024 199 H SER 21 H SER 21 -0.871 7.236 -1.865 200 HA SER 21 HA SER 21 -0.602 6.176 -4.499 201 HB2 SER 21 2HB SER 21 1.778 7.632 -3.296 202 HB3 SER 21 1HB SER 21 1.791 6.683 -4.775 203 HG SER 21 HG SER 21 -0.107 8.419 -5.121 204 H TYR 22 H TYR 22 1.218 4.466 -4.398 205 HA TYR 22 HA TYR 22 1.783 3.620 -1.656 206 HB2 TYR 22 2HB TYR 22 1.351 1.313 -2.188 207 HB3 TYR 22 1HB TYR 22 -0.099 2.251 -2.475 208 HD1 TYR 22 1HD TYR 22 -1.166 2.095 -4.516 209 HD2 TYR 22 2HD TYR 22 2.793 0.646 -4.215 210 HE1 TYR 22 1HE TYR 22 -1.373 1.064 -6.724 211 HE2 TYR 22 2HE TYR 22 2.609 -0.369 -6.441 212 HH TYR 22 HH TYR 22 0.188 0.399 -8.553 213 H THR 23 H THR 23 3.464 2.036 -1.575 214 HA THR 23 HA THR 23 5.476 2.392 -3.691 215 HB THR 23 HB THR 23 5.888 1.914 -0.729 216 HG1 THR 23 1HG THR 23 5.763 4.141 -2.341 217 HG21 THR 23 1HG2 THR 23 7.610 0.885 -2.108 218 HG22 THR 23 2HG2 THR 23 8.277 2.266 -1.222 219 HG23 THR 23 3HG2 THR 23 7.890 2.413 -2.944 220 H ILE 24 H ILE 24 6.216 0.534 -4.591 221 HA ILE 24 HA ILE 24 5.000 -1.947 -3.773 222 HB ILE 24 HB ILE 24 6.986 -1.407 -6.004 223 HG12 ILE 24 2HG1 ILE 24 3.993 -1.773 -6.102 224 HG13 ILE 24 1HG1 ILE 24 4.820 -0.224 -6.266 225 HG21 ILE 24 1HG2 ILE 24 5.256 -3.830 -5.454 226 HG22 ILE 24 2HG2 ILE 24 7.012 -3.750 -5.283 227 HG23 ILE 24 3HG2 ILE 24 6.271 -3.599 -6.877 228 HD11 ILE 24 1HD1 ILE 24 5.009 -2.579 -8.140 229 HD12 ILE 24 2HD1 ILE 24 5.901 -1.066 -8.306 230 HD13 ILE 24 3HD1 ILE 24 4.142 -1.067 -8.422 231 H GLN 25 H GLN 25 5.883 -2.795 -1.980 232 HA GLN 25 HA GLN 25 8.743 -2.786 -1.720 233 HB2 GLN 25 2HB GLN 25 7.667 -2.294 0.301 234 HB3 GLN 25 1HB GLN 25 6.546 -3.631 0.176 235 HG2 GLN 25 2HG GLN 25 8.365 -5.187 0.506 236 HG3 GLN 25 1HG GLN 25 9.496 -3.838 0.605 237 HE21 GLN 25 1HE2 GLN 25 8.666 -5.919 2.506 238 HE22 GLN 25 2HE2 GLN 25 8.237 -5.087 3.953 239 H SER 26 H SER 26 9.884 -4.238 -2.445 240 HA SER 26 HA SER 26 8.744 -6.804 -3.211 241 HB2 SER 26 2HB SER 26 10.784 -6.921 -4.651 242 HB3 SER 26 1HB SER 26 9.761 -5.534 -4.993 243 HG SER 26 HG SER 26 11.451 -4.734 -3.137 244 H ASN 27 H ASN 27 9.669 -8.715 -2.443 245 HA ASN 27 HA ASN 27 11.047 -8.409 0.031 246 HB2 ASN 27 2HB ASN 27 10.902 -10.893 0.257 247 HB3 ASN 27 1HB ASN 27 9.365 -10.065 0.077 248 HD21 ASN 27 1HD2 ASN 27 8.295 -11.776 -0.644 249 HD22 ASN 27 2HD2 ASN 27 8.597 -12.475 -2.191 250 H GLU 28 H GLU 28 12.099 -8.542 -3.023 251 HA GLU 28 HA GLU 28 14.555 -9.908 -2.618 252 HB2 GLU 28 2HB GLU 28 15.295 -8.783 -4.694 253 HB3 GLU 28 1HB GLU 28 13.728 -9.551 -4.882 254 HG2 GLU 28 2HG GLU 28 12.648 -7.379 -4.605 255 HG3 GLU 28 1HG GLU 28 14.225 -6.621 -4.435 256 H ALA 29 H ALA 29 13.405 -6.667 -2.012 257 HA ALA 29 HA ALA 29 16.101 -5.868 -1.168 258 HB1 ALA 29 1HB ALA 29 15.377 -3.558 -1.418 259 HB2 ALA 29 2HB ALA 29 13.752 -4.102 -1.833 260 HB3 ALA 29 3HB ALA 29 15.105 -4.464 -2.906 261 H CYS 30 H CYS 30 12.814 -6.297 -0.046 262 HA CYS 30 HA CYS 30 13.641 -5.387 2.632 263 HB2 CYS 30 2HB CYS 30 10.885 -5.435 1.412 264 HB3 CYS 30 1HB CYS 30 11.271 -4.909 3.040 265 H ASN 31 H ASN 31 12.363 -6.503 4.390 266 HA ASN 31 HA ASN 31 12.955 -9.214 4.432 267 HB2 ASN 31 2HB ASN 31 10.953 -7.720 6.122 268 HB3 ASN 31 1HB ASN 31 11.605 -9.310 6.495 269 HD21 ASN 31 1HD2 ASN 31 13.736 -9.472 7.199 270 HD22 ASN 31 2HD2 ASN 31 14.633 -8.112 7.734 271 H ILE 32 H ILE 32 9.845 -7.645 3.785 272 HA ILE 32 HA ILE 32 8.880 -10.200 2.720 273 HB ILE 32 HB ILE 32 6.640 -9.807 3.645 274 HG12 ILE 32 2HG1 ILE 32 7.868 -7.436 5.074 275 HG13 ILE 32 1HG1 ILE 32 6.750 -7.338 3.723 276 HG21 ILE 32 1HG2 ILE 32 8.767 -9.667 5.744 277 HG22 ILE 32 2HG2 ILE 32 8.182 -11.149 4.971 278 HG23 ILE 32 3HG2 ILE 32 7.110 -10.208 6.027 279 HD11 ILE 32 1HD1 ILE 32 6.153 -8.481 6.440 280 HD12 ILE 32 2HD1 ILE 32 5.020 -8.386 5.091 281 HD13 ILE 32 3HD1 ILE 32 5.640 -6.908 5.834 282 H LYS 33 H LYS 33 6.710 -9.673 1.545 283 HA LYS 33 HA LYS 33 7.105 -7.261 -0.053 284 HB2 LYS 33 2HB LYS 33 6.880 -9.412 -1.254 285 HB3 LYS 33 1HB LYS 33 5.326 -9.672 -0.482 286 HG2 LYS 33 2HG LYS 33 4.453 -7.662 -1.612 287 HG3 LYS 33 1HG LYS 33 6.007 -7.470 -2.418 288 HD2 LYS 33 2HD LYS 33 5.753 -9.669 -3.443 289 HD3 LYS 33 1HD LYS 33 4.189 -9.864 -2.650 290 HE2 LYS 33 2HE LYS 33 3.370 -7.877 -3.860 291 HE3 LYS 33 1HE LYS 33 4.927 -7.755 -4.681 292 HZ1 LYS 33 1HZ LYS 33 3.004 -9.990 -4.855 293 HZ2 LYS 33 2HZ LYS 33 4.511 -10.001 -5.598 294 HZ3 LYS 33 3HZ LYS 33 3.334 -8.875 -6.068 295 H ALA 34 H ALA 34 6.030 -5.562 0.816 296 HA ALA 34 HA ALA 34 3.239 -5.898 1.582 297 HB1 ALA 34 1HB ALA 34 4.503 -6.070 3.702 298 HB2 ALA 34 2HB ALA 34 3.580 -4.579 3.648 299 HB3 ALA 34 3HB ALA 34 5.314 -4.552 3.342 300 H ILE 35 H ILE 35 2.288 -4.539 0.175 301 HA ILE 35 HA ILE 35 3.582 -2.319 -1.023 302 HB ILE 35 HB ILE 35 0.605 -2.854 -0.740 303 HG12 ILE 35 2HG1 ILE 35 1.817 -4.685 -1.824 304 HG13 ILE 35 1HG1 ILE 35 0.731 -3.872 -2.951 305 HG21 ILE 35 1HG2 ILE 35 0.369 -1.379 -2.744 306 HG22 ILE 35 2HG2 ILE 35 2.083 -1.032 -2.654 307 HG23 ILE 35 3HG2 ILE 35 1.022 -0.535 -1.347 308 HD11 ILE 35 1HD1 ILE 35 2.771 -4.419 -4.033 309 HD12 ILE 35 2HD1 ILE 35 3.739 -3.595 -2.793 310 HD13 ILE 35 3HD1 ILE 35 2.679 -2.674 -3.875 311 H ILE 36 H ILE 36 3.876 -0.272 -0.276 312 HA ILE 36 HA ILE 36 2.730 0.279 2.350 313 HB ILE 36 HB ILE 36 4.897 1.894 0.955 314 HG12 ILE 36 2HG1 ILE 36 6.375 0.946 2.858 315 HG13 ILE 36 1HG1 ILE 36 5.146 -0.301 2.995 316 HG21 ILE 36 1HG2 ILE 36 3.662 3.204 2.516 317 HG22 ILE 36 2HG2 ILE 36 5.298 2.864 3.111 318 HG23 ILE 36 3HG2 ILE 36 3.917 1.977 3.771 319 HD11 ILE 36 1HD1 ILE 36 5.543 -0.932 0.702 320 HD12 ILE 36 2HD1 ILE 36 7.020 -0.991 1.689 321 HD13 ILE 36 3HD1 ILE 36 6.741 0.363 0.579 322 H PHE 37 H PHE 37 0.961 1.301 2.343 323 HA PHE 37 HA PHE 37 0.078 3.011 0.187 324 HB2 PHE 37 2HB PHE 37 -1.080 1.927 2.719 325 HB3 PHE 37 1HB PHE 37 -1.885 3.260 1.877 326 HD1 PHE 37 1HD PHE 37 -0.097 0.568 0.227 327 HD2 PHE 37 2HD PHE 37 -3.848 2.042 1.388 328 HE1 PHE 37 1HE PHE 37 -1.223 -1.077 -1.296 329 HE2 PHE 37 2HE PHE 37 -4.975 0.445 -0.087 330 HZ PHE 37 HZ PHE 37 -3.656 -1.109 -1.432 331 H THR 38 H THR 38 -0.105 5.105 0.264 332 HA THR 38 HA THR 38 0.893 6.415 2.678 333 HB THR 38 HB THR 38 1.215 7.352 -0.189 334 HG1 THR 38 1HG THR 38 2.475 5.470 1.152 335 HG21 THR 38 1HG2 THR 38 1.205 9.126 1.433 336 HG22 THR 38 2HG2 THR 38 2.851 8.904 0.841 337 HG23 THR 38 3HG2 THR 38 2.363 8.281 2.439 338 H THR 39 H THR 39 -0.461 7.976 3.493 339 HA THR 39 HA THR 39 -3.028 8.210 2.181 340 HB THR 39 HB THR 39 -3.641 9.469 4.277 341 HG1 THR 39 1HG THR 39 -2.137 8.744 6.036 342 HG21 THR 39 1HG2 THR 39 -4.269 7.159 3.925 343 HG22 THR 39 2HG2 THR 39 -3.839 7.401 5.612 344 HG23 THR 39 3HG2 THR 39 -2.698 6.621 4.517 345 H LYS 40 H LYS 40 -4.063 10.462 2.540 346 HA LYS 40 HA LYS 40 -2.585 12.337 1.030 347 HB2 LYS 40 2HB LYS 40 -4.871 12.939 2.828 348 HB3 LYS 40 1HB LYS 40 -4.413 13.847 1.387 349 HG2 LYS 40 2HG LYS 40 -4.954 11.456 0.196 350 HG3 LYS 40 1HG LYS 40 -5.865 11.276 1.655 351 HD2 LYS 40 2HD LYS 40 -7.186 13.232 1.231 352 HD3 LYS 40 1HD LYS 40 -6.123 13.606 -0.144 353 HE2 LYS 40 2HE LYS 40 -6.811 11.664 -1.322 354 HE3 LYS 40 1HE LYS 40 -7.786 11.120 0.032 355 HZ1 LYS 40 1HZ LYS 40 -9.236 13.003 -0.257 356 HZ2 LYS 40 2HZ LYS 40 -9.126 12.138 -1.694 357 HZ3 LYS 40 3HZ LYS 40 -8.305 13.613 -1.520 358 H LYS 41 H LYS 41 -2.531 11.650 4.343 359 HA LYS 41 HA LYS 41 -1.235 14.149 5.006 360 HB2 LYS 41 2HB LYS 41 -1.810 11.649 6.591 361 HB3 LYS 41 1HB LYS 41 -0.716 12.876 7.204 362 HG2 LYS 41 2HG LYS 41 -2.940 13.100 8.148 363 HG3 LYS 41 1HG LYS 41 -2.513 14.513 7.192 364 HD2 LYS 41 2HD LYS 41 -3.872 13.635 5.335 365 HD3 LYS 41 1HD LYS 41 -4.298 12.239 6.322 366 HE2 LYS 41 2HE LYS 41 -6.073 13.906 6.342 367 HE3 LYS 41 1HE LYS 41 -5.375 13.700 7.945 368 HZ1 LYS 41 1HZ LYS 41 -4.750 15.910 6.058 369 HZ2 LYS 41 2HZ LYS 41 -4.097 15.723 7.612 370 HZ3 LYS 41 3HZ LYS 41 -5.745 16.010 7.413 371 H GLY 42 H GLY 42 -0.465 11.413 3.434 372 HA2 GLY 42 2HA GLY 42 1.487 10.863 2.460 373 HA3 GLY 42 1HA GLY 42 2.252 12.168 3.325 374 H ARG 43 H ARG 43 0.508 10.008 5.246 375 HA ARG 43 HA ARG 43 2.863 9.053 6.586 376 HB2 ARG 43 2HB ARG 43 0.000 8.272 6.825 377 HB3 ARG 43 1HB ARG 43 1.266 7.765 7.943 378 HG2 ARG 43 2HG ARG 43 1.617 10.159 8.533 379 HG3 ARG 43 1HG ARG 43 0.266 10.580 7.481 380 HD2 ARG 43 2HD ARG 43 -1.191 9.129 8.836 381 HD3 ARG 43 1HD ARG 43 0.160 8.821 9.920 382 HE ARG 43 HE ARG 43 -0.174 11.578 9.712 383 HH11 ARG 43 1HH1 ARG 43 -1.904 8.793 11.010 384 HH12 ARG 43 2HH1 ARG 43 -2.712 9.703 12.213 385 HH21 ARG 43 1HH2 ARG 43 -1.314 12.808 11.324 386 HH22 ARG 43 2HH2 ARG 43 -2.388 12.005 12.390 387 H LYS 44 H LYS 44 3.313 6.752 6.900 388 HA LYS 44 HA LYS 44 2.801 5.284 4.417 389 HB2 LYS 44 2HB LYS 44 5.085 4.995 6.378 390 HB3 LYS 44 1HB LYS 44 4.871 4.025 4.931 391 HG2 LYS 44 2HG LYS 44 5.371 7.005 5.034 392 HG3 LYS 44 1HG LYS 44 6.526 5.764 4.542 393 HD2 LYS 44 2HD LYS 44 5.056 5.169 2.653 394 HD3 LYS 44 1HD LYS 44 3.920 6.416 3.148 395 HE2 LYS 44 2HE LYS 44 5.263 7.225 1.326 396 HE3 LYS 44 1HE LYS 44 5.657 8.114 2.793 397 HZ1 LYS 44 1HZ LYS 44 7.229 5.858 1.680 398 HZ2 LYS 44 2HZ LYS 44 7.677 6.756 3.023 399 HZ3 LYS 44 3HZ LYS 44 7.642 7.447 1.482 400 H ILE 45 H ILE 45 1.509 3.659 4.464 401 HA ILE 45 HA ILE 45 0.929 2.263 6.985 402 HB ILE 45 HB ILE 45 -0.810 2.533 4.505 403 HG12 ILE 45 2HG1 ILE 45 -2.415 3.788 6.139 404 HG13 ILE 45 1HG1 ILE 45 -1.008 3.920 7.176 405 HG21 ILE 45 1HG2 ILE 45 -1.431 1.220 7.139 406 HG22 ILE 45 2HG2 ILE 45 -1.192 0.424 5.583 407 HG23 ILE 45 3HG2 ILE 45 -2.591 1.471 5.833 408 HD11 ILE 45 1HD1 ILE 45 -1.407 5.929 5.948 409 HD12 ILE 45 2HD1 ILE 45 -1.255 5.053 4.424 410 HD13 ILE 45 3HD1 ILE 45 0.144 5.212 5.495 411 H CYS 46 H CYS 46 1.504 0.186 6.977 412 HA CYS 46 HA CYS 46 2.583 -1.028 4.540 413 HB2 CYS 46 2HB CYS 46 2.505 -2.075 7.371 414 HB3 CYS 46 1HB CYS 46 3.493 -2.691 6.054 415 H ALA 47 H ALA 47 1.195 -2.121 3.245 416 HA ALA 47 HA ALA 47 -1.047 -3.436 4.606 417 HB1 ALA 47 1HB ALA 47 -1.064 -2.172 1.875 418 HB2 ALA 47 2HB ALA 47 -1.745 -1.461 3.336 419 HB3 ALA 47 3HB ALA 47 -2.427 -2.949 2.680 420 H ASN 48 H ASN 48 -1.729 -5.420 3.905 421 HA ASN 48 HA ASN 48 0.172 -7.081 2.626 422 HB2 ASN 48 2HB ASN 48 -1.015 -7.993 4.420 423 HB3 ASN 48 1HB ASN 48 -2.580 -7.531 3.816 424 HD21 ASN 48 1HD2 ASN 48 0.096 -9.133 2.095 425 HD22 ASN 48 2HD2 ASN 48 -0.819 -10.558 1.759 426 HA PRO 49 HA PRO 49 -1.327 -6.058 -1.498 427 HB2 PRO 49 2HB PRO 49 0.265 -7.942 -2.717 428 HB3 PRO 49 1HB PRO 49 0.730 -6.271 -2.429 429 HG2 PRO 49 2HG PRO 49 1.442 -8.730 -0.926 430 HG3 PRO 49 1HG PRO 49 2.391 -7.256 -1.172 431 HD2 PRO 49 2HD PRO 49 1.172 -7.829 1.170 432 HD3 PRO 49 1HD PRO 49 1.383 -6.168 0.603 433 H ASN 50 H ASN 50 -1.307 -9.096 0.089 434 HA ASN 50 HA ASN 50 -2.659 -10.496 -1.949 435 HB2 ASN 50 2HB ASN 50 -2.557 -11.204 0.988 436 HB3 ASN 50 1HB ASN 50 -3.152 -12.201 -0.340 437 HD21 ASN 50 1HD2 ASN 50 -0.982 -11.437 -2.176 438 HD22 ASN 50 2HD2 ASN 50 0.407 -12.265 -1.571 439 H GLU 51 H GLU 51 -3.648 -8.160 0.352 440 HA GLU 51 HA GLU 51 -6.280 -9.207 0.704 441 HB2 GLU 51 2HB GLU 51 -5.298 -6.456 1.397 442 HB3 GLU 51 1HB GLU 51 -6.796 -7.192 1.932 443 HG2 GLU 51 2HG GLU 51 -5.094 -9.013 2.886 444 HG3 GLU 51 1HG GLU 51 -4.031 -7.643 2.748 445 H LYS 52 H LYS 52 -8.033 -8.762 -0.297 446 HA LYS 52 HA LYS 52 -8.078 -7.887 -2.900 447 HB2 LYS 52 2HB LYS 52 -9.786 -9.308 -1.932 448 HB3 LYS 52 1HB LYS 52 -10.303 -8.011 -0.875 449 HG2 LYS 52 2HG LYS 52 -11.075 -6.735 -2.798 450 HG3 LYS 52 1HG LYS 52 -10.540 -8.032 -3.875 451 HD2 LYS 52 2HD LYS 52 -12.077 -9.585 -2.808 452 HD3 LYS 52 1HD LYS 52 -12.567 -8.334 -1.665 453 HE2 LYS 52 2HE LYS 52 -13.473 -7.009 -3.489 454 HE3 LYS 52 1HE LYS 52 -12.941 -8.217 -4.653 455 HZ1 LYS 52 1HZ LYS 52 -14.906 -8.692 -2.481 456 HZ2 LYS 52 2HZ LYS 52 -14.435 -9.806 -3.664 457 HZ3 LYS 52 3HZ LYS 52 -15.287 -8.430 -4.100 458 H TRP 53 H TRP 53 -8.730 -6.009 0.055 459 HA TRP 53 HA TRP 53 -9.689 -3.739 -1.327 460 HB2 TRP 53 2HB TRP 53 -9.475 -2.467 0.733 461 HB3 TRP 53 1HB TRP 53 -10.095 -4.057 1.112 462 HD1 TRP 53 HD TRP 53 -8.387 -5.716 2.525 463 HE1 TRP 53 1HE TRP 53 -6.401 -5.138 4.027 464 HE3 TRP 53 3HE TRP 53 -7.539 -0.895 1.025 465 HZ2 TRP 53 2HZ TRP 53 -4.703 -2.993 4.533 466 HZ3 TRP 53 3HZ TRP 53 -5.705 0.334 2.071 467 HH2 TRP 53 HH TRP 53 -4.309 -0.691 3.797 468 H VAL 54 H VAL 54 -6.506 -4.804 -0.511 469 HA VAL 54 HA VAL 54 -5.142 -2.396 -1.106 470 HB VAL 54 HB VAL 54 -4.163 -5.269 -0.961 471 HG11 VAL 54 1HG1 VAL 54 -2.546 -2.725 -1.095 472 HG12 VAL 54 2HG1 VAL 54 -2.625 -3.959 -2.348 473 HG13 VAL 54 3HG1 VAL 54 -1.894 -4.320 -0.776 474 HG21 VAL 54 1HG2 VAL 54 -3.941 -2.987 0.975 475 HG22 VAL 54 2HG2 VAL 54 -3.276 -4.606 1.199 476 HG23 VAL 54 3HG2 VAL 54 -5.024 -4.365 1.122 477 H GLN 55 H GLN 55 -5.934 -5.313 -2.844 478 HA GLN 55 HA GLN 55 -4.466 -4.720 -5.138 479 HB2 GLN 55 2HB GLN 55 -6.887 -6.483 -4.912 480 HB3 GLN 55 1HB GLN 55 -5.689 -6.513 -6.209 481 HG2 GLN 55 2HG GLN 55 -3.956 -6.891 -4.426 482 HG3 GLN 55 1HG GLN 55 -5.292 -7.177 -3.324 483 HE21 GLN 55 1HE2 GLN 55 -3.229 -8.870 -4.031 484 HE22 GLN 55 2HE2 GLN 55 -3.881 -10.250 -4.813 485 H LYS 56 H LYS 56 -7.808 -4.121 -4.206 486 HA LYS 56 HA LYS 56 -8.739 -2.989 -6.594 487 HB2 LYS 56 2HB LYS 56 -9.604 -2.551 -3.758 488 HB3 LYS 56 1HB LYS 56 -10.460 -1.917 -5.158 489 HG2 LYS 56 2HG LYS 56 -10.895 -4.127 -5.971 490 HG3 LYS 56 1HG LYS 56 -9.902 -4.832 -4.695 491 HD2 LYS 56 2HD LYS 56 -12.218 -5.043 -4.139 492 HD3 LYS 56 1HD LYS 56 -11.397 -3.915 -3.042 493 HE2 LYS 56 2HE LYS 56 -13.601 -3.044 -3.645 494 HE3 LYS 56 1HE LYS 56 -12.337 -2.020 -4.311 495 HZ1 LYS 56 1HZ LYS 56 -12.677 -3.155 -6.480 496 HZ2 LYS 56 2HZ LYS 56 -14.082 -2.420 -5.920 497 HZ3 LYS 56 3HZ LYS 56 -13.890 -4.073 -5.786 498 H ALA 57 H ALA 57 -7.048 -1.648 -3.830 499 HA ALA 57 HA ALA 57 -7.259 1.099 -4.601 500 HB1 ALA 57 1HB ALA 57 -5.553 1.491 -2.896 501 HB2 ALA 57 2HB ALA 57 -5.254 -0.236 -2.771 502 HB3 ALA 57 3HB ALA 57 -6.815 0.423 -2.270 503 H MET 58 H MET 58 -4.789 -1.349 -4.957 504 HA MET 58 HA MET 58 -2.919 0.290 -6.097 505 HB2 MET 58 2HB MET 58 -3.180 -2.698 -6.378 506 HB3 MET 58 1HB MET 58 -1.823 -1.784 -7.025 507 HG2 MET 58 2HG MET 58 -1.397 -0.954 -4.701 508 HG3 MET 58 1HG MET 58 -2.618 -2.096 -4.141 509 HE1 MET 58 1HE MET 58 -0.890 -5.507 -5.040 510 HE2 MET 58 2HE MET 58 -2.047 -4.646 -6.064 511 HE3 MET 58 3HE MET 58 -2.324 -4.773 -4.315 512 H LYS 59 H LYS 59 -5.501 -1.491 -7.624 513 HA LYS 59 HA LYS 59 -4.719 -1.082 -10.292 514 HB2 LYS 59 2HB LYS 59 -7.509 -1.225 -9.139 515 HB3 LYS 59 1HB LYS 59 -7.133 -1.311 -10.855 516 HG2 LYS 59 2HG LYS 59 -5.877 -3.366 -10.465 517 HG3 LYS 59 1HG LYS 59 -6.261 -3.270 -8.746 518 HD2 LYS 59 2HD LYS 59 -8.642 -3.441 -9.264 519 HD3 LYS 59 1HD LYS 59 -8.269 -3.506 -10.987 520 HE2 LYS 59 2HE LYS 59 -7.406 -5.507 -8.901 521 HE3 LYS 59 1HE LYS 59 -8.698 -5.737 -10.076 522 HZ1 LYS 59 1HZ LYS 59 -6.664 -6.812 -10.782 523 HZ2 LYS 59 2HZ LYS 59 -5.813 -5.369 -10.713 524 HZ3 LYS 59 3HZ LYS 59 -7.041 -5.567 -11.855 525 H HIS 60 H HIS 60 -6.625 0.924 -8.111 526 HA HIS 60 HA HIS 60 -7.140 2.933 -10.038 527 HB2 HIS 60 2HB HIS 60 -8.703 2.583 -8.289 528 HB3 HIS 60 1HB HIS 60 -7.448 2.768 -7.063 529 HD1 HIS 60 1HD HIS 60 -9.250 4.912 -9.713 530 HD2 HIS 60 2HD HIS 60 -7.296 5.246 -6.077 531 HE1 HIS 60 1HE HIS 60 -9.520 7.299 -9.052 532 HE2 HIS 60 2HE HIS 60 -8.304 7.519 -6.855 533 H LEU 61 H LEU 61 -4.820 2.569 -7.417 534 HA LEU 61 HA LEU 61 -3.767 5.200 -7.659 535 HB2 LEU 61 2HB LEU 61 -2.628 2.743 -6.357 536 HB3 LEU 61 1HB LEU 61 -1.951 4.350 -6.205 537 HG LEU 61 HG LEU 61 -4.714 3.558 -5.273 538 HD11 LEU 61 1HD1 LEU 61 -2.172 3.960 -3.706 539 HD12 LEU 61 2HD1 LEU 61 -3.046 2.434 -3.946 540 HD13 LEU 61 3HD1 LEU 61 -3.783 3.736 -3.029 541 HD21 LEU 61 1HD2 LEU 61 -3.097 6.065 -4.834 542 HD22 LEU 61 2HD2 LEU 61 -4.656 5.706 -4.093 543 HD23 LEU 61 3HD2 LEU 61 -4.542 5.928 -5.837 544 H ASP 62 H ASP 62 -2.932 2.145 -9.173 545 HA ASP 62 HA ASP 62 -0.398 3.063 -10.206 546 HB2 ASP 62 2HB ASP 62 -0.842 0.673 -9.791 547 HB3 ASP 62 1HB ASP 62 -2.126 0.713 -10.972 548 H LYS 63 H LYS 63 -3.710 2.996 -11.320 549 HA LYS 63 HA LYS 63 -2.835 3.841 -13.917 550 HB2 LYS 63 2HB LYS 63 -5.578 3.037 -12.985 551 HB3 LYS 63 1HB LYS 63 -5.179 3.495 -14.634 552 HG2 LYS 63 2HG LYS 63 -3.618 1.586 -14.753 553 HG3 LYS 63 1HG LYS 63 -4.096 1.122 -13.125 554 HD2 LYS 63 2HD LYS 63 -5.951 1.279 -15.510 555 HD3 LYS 63 1HD LYS 63 -5.287 -0.202 -14.826 556 HE2 LYS 63 2HE LYS 63 -6.449 0.252 -12.724 557 HE3 LYS 63 1HE LYS 63 -7.091 1.748 -13.390 558 HZ1 LYS 63 1HZ LYS 63 -7.692 -0.993 -14.366 559 HZ2 LYS 63 2HZ LYS 63 -8.241 0.439 -15.066 560 HZ3 LYS 63 3HZ LYS 63 -8.727 0.043 -13.527 561 H LYS 64 H LYS 64 -2.170 5.810 -13.185 562 HA LYS 64 HA LYS 64 -4.342 7.671 -12.805 563 HB2 LYS 64 2HB LYS 64 -2.584 9.172 -11.577 564 HB3 LYS 64 1HB LYS 64 -3.365 7.860 -10.732 565 HG2 LYS 64 2HG LYS 64 -1.069 7.852 -10.091 566 HG3 LYS 64 1HG LYS 64 -1.323 6.466 -11.131 567 HD2 LYS 64 2HD LYS 64 0.784 7.475 -11.662 568 HD3 LYS 64 1HD LYS 64 -0.324 7.774 -13.001 569 HE2 LYS 64 2HE LYS 64 -0.731 10.043 -12.146 570 HE3 LYS 64 1HE LYS 64 0.369 9.731 -10.806 571 HZ1 LYS 64 1HZ LYS 64 2.175 9.459 -12.411 572 HZ2 LYS 64 2HZ LYS 64 1.456 10.968 -12.572 573 HZ3 LYS 64 3HZ LYS 64 1.112 9.755 -13.681 Start of MODEL 19 1 H1 ALA 1 1HT ALA 1 9.446 1.583 10.610 2 H2 ALA 1 2HT ALA 1 8.855 2.595 9.414 3 H3 ALA 1 3HT ALA 1 8.049 2.485 10.909 4 HA ALA 1 HA ALA 1 9.313 4.518 10.770 5 HB1 ALA 1 1HB ALA 1 10.544 4.257 12.851 6 HB2 ALA 1 2HB ALA 1 10.484 2.503 12.691 7 HB3 ALA 1 3HB ALA 1 8.996 3.419 12.945 8 H ARG 2 H ARG 2 10.946 5.510 9.784 9 HA ARG 2 HA ARG 2 12.910 5.971 8.816 10 HB2 ARG 2 2HB ARG 2 13.888 3.477 10.206 11 HB3 ARG 2 1HB ARG 2 14.895 4.343 9.083 12 HG2 ARG 2 2HG ARG 2 15.564 4.928 11.292 13 HG3 ARG 2 1HG ARG 2 14.767 6.325 10.605 14 HD2 ARG 2 2HD ARG 2 13.375 4.378 12.441 15 HD3 ARG 2 1HD ARG 2 14.288 5.759 13.036 16 HE ARG 2 HE ARG 2 12.402 6.625 11.162 17 HH11 ARG 2 1HH1 ARG 2 12.558 5.301 14.446 18 HH12 ARG 2 2HH1 ARG 2 11.155 6.061 14.988 19 HH21 ARG 2 1HH2 ARG 2 10.423 7.678 11.921 20 HH22 ARG 2 2HH2 ARG 2 9.900 7.422 13.517 21 H LYS 3 H LYS 3 12.375 2.531 8.507 22 HA LYS 3 HA LYS 3 13.565 2.248 5.971 23 HB2 LYS 3 2HB LYS 3 11.443 0.532 7.250 24 HB3 LYS 3 1HB LYS 3 12.488 0.069 5.924 25 HG2 LYS 3 2HG LYS 3 14.426 0.177 7.415 26 HG3 LYS 3 1HG LYS 3 13.375 0.678 8.745 27 HD2 LYS 3 2HD LYS 3 12.122 -1.431 8.514 28 HD3 LYS 3 1HD LYS 3 13.223 -1.934 7.233 29 HE2 LYS 3 2HE LYS 3 13.996 -1.331 10.084 30 HE3 LYS 3 1HE LYS 3 13.788 -2.937 9.408 31 HZ1 LYS 3 1HZ LYS 3 16.113 -2.263 9.501 32 HZ2 LYS 3 2HZ LYS 3 15.818 -0.948 8.521 33 HZ3 LYS 3 3HZ LYS 3 15.645 -2.509 7.902 34 H SER 4 H SER 4 12.617 1.976 3.952 35 HA SER 4 HA SER 4 9.929 3.056 3.579 36 HB2 SER 4 2HB SER 4 12.098 2.374 1.568 37 HB3 SER 4 1HB SER 4 10.547 3.122 1.180 38 HG SER 4 HG SER 4 12.365 4.242 3.034 39 H CYS 5 H CYS 5 11.153 0.353 4.452 40 HA CYS 5 HA CYS 5 9.429 -1.400 2.845 41 HB2 CYS 5 2HB CYS 5 11.846 -2.072 4.529 42 HB3 CYS 5 1HB CYS 5 10.851 -3.228 3.665 43 H CYS 6 H CYS 6 8.237 -2.924 4.090 44 HA CYS 6 HA CYS 6 7.805 -2.126 6.853 45 HB2 CYS 6 2HB CYS 6 6.030 -3.199 4.725 46 HB3 CYS 6 1HB CYS 6 5.538 -3.106 6.416 47 H LEU 7 H LEU 7 7.382 -3.700 8.320 48 HA LEU 7 HA LEU 7 8.615 -6.290 7.753 49 HB2 LEU 7 2HB LEU 7 8.061 -4.942 10.389 50 HB3 LEU 7 1HB LEU 7 9.041 -6.368 10.120 51 HG LEU 7 HG LEU 7 9.695 -3.567 9.204 52 HD11 LEU 7 1HD1 LEU 7 10.915 -5.254 11.365 53 HD12 LEU 7 2HD1 LEU 7 9.933 -3.802 11.582 54 HD13 LEU 7 3HD1 LEU 7 11.517 -3.691 10.815 55 HD21 LEU 7 1HD2 LEU 7 11.291 -6.114 8.944 56 HD22 LEU 7 2HD2 LEU 7 11.869 -4.496 8.551 57 HD23 LEU 7 3HD2 LEU 7 10.551 -5.204 7.628 58 H LYS 8 H LYS 8 5.664 -4.679 8.806 59 HA LYS 8 HA LYS 8 4.325 -7.246 9.008 60 HB2 LYS 8 2HB LYS 8 2.981 -6.320 10.814 61 HB3 LYS 8 1HB LYS 8 4.679 -6.434 11.284 62 HG2 LYS 8 2HG LYS 8 4.920 -4.032 10.875 63 HG3 LYS 8 1HG LYS 8 3.220 -3.935 10.412 64 HD2 LYS 8 2HD LYS 8 4.272 -4.761 13.124 65 HD3 LYS 8 1HD LYS 8 3.615 -3.176 12.728 66 HE2 LYS 8 2HE LYS 8 1.450 -4.226 12.195 67 HE3 LYS 8 1HE LYS 8 2.110 -5.800 12.628 68 HZ1 LYS 8 1HZ LYS 8 0.851 -4.867 14.450 69 HZ2 LYS 8 2HZ LYS 8 1.791 -3.483 14.451 70 HZ3 LYS 8 3HZ LYS 8 2.479 -4.963 14.879 71 H TYR 9 H TYR 9 1.936 -6.937 8.736 72 HA TYR 9 HA TYR 9 1.364 -4.722 6.868 73 HB2 TYR 9 2HB TYR 9 -0.426 -7.211 7.045 74 HB3 TYR 9 1HB TYR 9 -0.220 -6.030 5.827 75 HD1 TYR 9 1HD TYR 9 1.274 -6.215 4.124 76 HD2 TYR 9 2HD TYR 9 1.406 -8.982 7.309 77 HE1 TYR 9 1HE TYR 9 2.748 -7.675 2.789 78 HE2 TYR 9 2HE TYR 9 2.877 -10.456 5.992 79 HH TYR 9 HH TYR 9 4.333 -9.401 3.086 80 H THR 10 H THR 10 -0.583 -3.517 7.286 81 HA THR 10 HA THR 10 -1.433 -3.480 9.960 82 HB THR 10 HB THR 10 -1.444 -1.414 8.567 83 HG1 THR 10 1HG THR 10 -3.048 -0.687 9.703 84 HG21 THR 10 1HG2 THR 10 -3.221 -1.060 6.894 85 HG22 THR 10 2HG2 THR 10 -3.752 -2.728 7.106 86 HG23 THR 10 3HG2 THR 10 -2.157 -2.391 6.428 87 H LYS 11 H LYS 11 -3.470 -4.098 10.782 88 HA LYS 11 HA LYS 11 -4.716 -6.213 9.220 89 HB2 LYS 11 2HB LYS 11 -5.759 -6.977 11.280 90 HB3 LYS 11 1HB LYS 11 -4.025 -6.833 11.472 91 HG2 LYS 11 2HG LYS 11 -4.402 -4.669 12.639 92 HG3 LYS 11 1HG LYS 11 -6.138 -4.966 12.527 93 HD2 LYS 11 2HD LYS 11 -5.798 -7.109 13.741 94 HD3 LYS 11 1HD LYS 11 -4.099 -6.685 13.942 95 HE2 LYS 11 2HE LYS 11 -5.280 -6.117 15.961 96 HE3 LYS 11 1HE LYS 11 -4.811 -4.634 15.140 97 HZ1 LYS 11 1HZ LYS 11 -7.501 -5.880 15.056 98 HZ2 LYS 11 2HZ LYS 11 -7.063 -4.468 14.246 99 HZ3 LYS 11 3HZ LYS 11 -7.079 -4.499 15.925 100 H ARG 12 H ARG 12 -5.186 -3.002 9.667 101 HA ARG 12 HA ARG 12 -8.072 -3.308 9.304 102 HB2 ARG 12 2HB ARG 12 -7.616 -2.039 11.329 103 HB3 ARG 12 1HB ARG 12 -6.582 -0.930 10.428 104 HG2 ARG 12 2HG ARG 12 -8.508 -0.259 9.067 105 HG3 ARG 12 1HG ARG 12 -9.534 -1.324 10.022 106 HD2 ARG 12 2HD ARG 12 -9.080 -0.008 12.000 107 HD3 ARG 12 1HD ARG 12 -7.967 1.016 11.085 108 HE ARG 12 HE ARG 12 -10.535 0.857 9.899 109 HH11 ARG 12 1HH1 ARG 12 -8.732 2.479 12.450 110 HH12 ARG 12 2HH1 ARG 12 -9.638 3.906 12.435 111 HH21 ARG 12 1HH2 ARG 12 -11.826 2.807 9.832 112 HH22 ARG 12 2HH2 ARG 12 -11.475 4.099 10.886 113 HA PRO 13 HA PRO 13 -7.320 -1.869 5.127 114 HB2 PRO 13 2HB PRO 13 -10.233 -1.309 5.256 115 HB3 PRO 13 1HB PRO 13 -9.322 -2.256 4.076 116 HG2 PRO 13 2HG PRO 13 -10.840 -3.468 5.885 117 HG3 PRO 13 1HG PRO 13 -9.258 -4.130 5.429 118 HD2 PRO 13 2HD PRO 13 -10.026 -2.584 7.872 119 HD3 PRO 13 1HD PRO 13 -8.964 -4.003 7.698 120 H LEU 14 H LEU 14 -7.063 0.046 4.173 121 HA LEU 14 HA LEU 14 -7.490 2.527 5.707 122 HB2 LEU 14 2HB LEU 14 -5.256 1.471 4.623 123 HB3 LEU 14 1HB LEU 14 -5.916 2.178 3.190 124 HG LEU 14 HG LEU 14 -4.952 3.597 5.655 125 HD11 LEU 14 1HD1 LEU 14 -3.974 3.555 2.838 126 HD12 LEU 14 2HD1 LEU 14 -3.235 2.755 4.223 127 HD13 LEU 14 3HD1 LEU 14 -3.318 4.519 4.152 128 HD21 LEU 14 1HD2 LEU 14 -6.789 4.910 4.848 129 HD22 LEU 14 2HD2 LEU 14 -6.171 4.805 3.175 130 HD23 LEU 14 3HD2 LEU 14 -5.233 5.630 4.422 131 HA PRO 15 HA PRO 15 -10.718 3.177 2.486 132 HB2 PRO 15 2HB PRO 15 -10.362 6.049 3.133 133 HB3 PRO 15 1HB PRO 15 -11.839 5.080 3.139 134 HG2 PRO 15 2HG PRO 15 -10.716 5.842 5.435 135 HG3 PRO 15 1HG PRO 15 -11.435 4.235 5.270 136 HD2 PRO 15 2HD PRO 15 -8.593 5.066 5.204 137 HD3 PRO 15 1HD PRO 15 -9.311 3.638 5.978 138 H LEU 16 H LEU 16 -10.468 3.483 0.378 139 HA LEU 16 HA LEU 16 -7.943 4.065 -0.714 140 HB2 LEU 16 2HB LEU 16 -9.257 2.508 -1.791 141 HB3 LEU 16 1HB LEU 16 -10.622 3.635 -1.970 142 HG LEU 16 HG LEU 16 -9.147 4.894 -3.533 143 HD11 LEU 16 1HD1 LEU 16 -7.200 3.627 -4.461 144 HD12 LEU 16 2HD1 LEU 16 -7.388 2.495 -3.131 145 HD13 LEU 16 3HD1 LEU 16 -6.987 4.167 -2.787 146 HD21 LEU 16 1HD2 LEU 16 -9.762 2.033 -4.126 147 HD22 LEU 16 2HD2 LEU 16 -9.453 3.309 -5.332 148 HD23 LEU 16 3HD2 LEU 16 -10.842 3.438 -4.231 149 H LYS 17 H LYS 17 -10.805 5.902 -0.372 150 HA LYS 17 HA LYS 17 -10.119 8.025 -2.087 151 HB2 LYS 17 2HB LYS 17 -12.026 8.009 0.259 152 HB3 LYS 17 1HB LYS 17 -11.896 9.310 -0.917 153 HG2 LYS 17 2HG LYS 17 -12.725 6.465 -1.515 154 HG3 LYS 17 1HG LYS 17 -13.800 7.860 -1.404 155 HD2 LYS 17 2HD LYS 17 -12.670 8.886 -3.313 156 HD3 LYS 17 1HD LYS 17 -11.556 7.527 -3.408 157 HE2 LYS 17 2HE LYS 17 -13.303 7.308 -5.077 158 HE3 LYS 17 1HE LYS 17 -13.431 6.025 -3.882 159 HZ1 LYS 17 1HZ LYS 17 -15.572 6.953 -4.447 160 HZ2 LYS 17 2HZ LYS 17 -15.103 8.484 -3.965 161 HZ3 LYS 17 3HZ LYS 17 -15.239 7.233 -2.827 162 H ARG 18 H ARG 18 -8.664 7.120 0.651 163 HA ARG 18 HA ARG 18 -7.758 9.908 1.319 164 HB2 ARG 18 2HB ARG 18 -9.050 8.595 3.112 165 HB3 ARG 18 1HB ARG 18 -7.664 7.518 3.154 166 HG2 ARG 18 2HG ARG 18 -6.244 9.402 3.817 167 HG3 ARG 18 1HG ARG 18 -7.667 10.444 3.814 168 HD2 ARG 18 2HD ARG 18 -8.697 8.954 5.511 169 HD3 ARG 18 1HD ARG 18 -7.188 8.042 5.569 170 HE ARG 18 HE ARG 18 -6.982 10.871 5.999 171 HH11 ARG 18 1HH1 ARG 18 -7.154 7.662 7.530 172 HH12 ARG 18 2HH1 ARG 18 -6.665 8.222 9.051 173 HH21 ARG 18 1HH2 ARG 18 -6.311 11.626 8.128 174 HH22 ARG 18 2HH2 ARG 18 -6.154 10.497 9.387 175 H ILE 19 H ILE 19 -6.755 7.566 -0.504 176 HA ILE 19 HA ILE 19 -4.012 7.465 0.559 177 HB ILE 19 HB ILE 19 -5.282 5.597 -1.474 178 HG12 ILE 19 2HG1 ILE 19 -4.639 5.024 1.406 179 HG13 ILE 19 1HG1 ILE 19 -6.266 5.441 0.887 180 HG21 ILE 19 1HG2 ILE 19 -2.682 5.447 0.085 181 HG22 ILE 19 2HG2 ILE 19 -2.825 5.731 -1.649 182 HG23 ILE 19 3HG2 ILE 19 -3.303 4.179 -0.959 183 HD11 ILE 19 1HD1 ILE 19 -6.199 3.468 -0.627 184 HD12 ILE 19 2HD1 ILE 19 -6.041 3.045 1.089 185 HD13 ILE 19 3HD1 ILE 19 -4.638 3.079 0.021 186 H LYS 20 H LYS 20 -2.393 8.271 -0.658 187 HA LYS 20 HA LYS 20 -3.107 9.701 -3.065 188 HB2 LYS 20 2HB LYS 20 -0.502 9.668 -1.525 189 HB3 LYS 20 1HB LYS 20 -0.861 10.720 -2.868 190 HG2 LYS 20 2HG LYS 20 -2.161 10.694 -0.211 191 HG3 LYS 20 1HG LYS 20 -1.090 11.927 -0.882 192 HD2 LYS 20 2HD LYS 20 -3.842 11.165 -1.750 193 HD3 LYS 20 1HD LYS 20 -3.355 12.670 -1.006 194 HE2 LYS 20 2HE LYS 20 -2.440 11.792 -3.768 195 HE3 LYS 20 1HE LYS 20 -3.622 13.049 -3.426 196 HZ1 LYS 20 1HZ LYS 20 -1.898 14.321 -2.297 197 HZ2 LYS 20 2HZ LYS 20 -1.430 13.971 -3.883 198 HZ3 LYS 20 3HZ LYS 20 -0.768 13.140 -2.581 199 H SER 21 H SER 21 -0.840 7.135 -2.007 200 HA SER 21 HA SER 21 -0.681 5.938 -4.537 201 HB2 SER 21 2HB SER 21 1.722 6.487 -5.004 202 HB3 SER 21 1HB SER 21 0.652 7.880 -5.158 203 HG SER 21 HG SER 21 2.452 7.254 -3.068 204 H TYR 22 H TYR 22 1.258 4.319 -4.470 205 HA TYR 22 HA TYR 22 1.856 3.599 -1.703 206 HB2 TYR 22 2HB TYR 22 1.372 1.279 -2.114 207 HB3 TYR 22 1HB TYR 22 -0.051 2.228 -2.477 208 HD1 TYR 22 1HD TYR 22 -1.067 2.040 -4.552 209 HD2 TYR 22 2HD TYR 22 2.811 0.447 -4.042 210 HE1 TYR 22 1HE TYR 22 -1.232 0.912 -6.732 211 HE2 TYR 22 2HE TYR 22 2.659 -0.670 -6.210 212 HH TYR 22 HH TYR 22 0.231 0.007 -8.471 213 H THR 23 H THR 23 3.501 1.890 -1.660 214 HA THR 23 HA THR 23 5.543 2.346 -3.724 215 HB THR 23 HB THR 23 5.845 1.711 -0.787 216 HG1 THR 23 1HG THR 23 6.248 4.076 -2.300 217 HG21 THR 23 1HG2 THR 23 7.614 0.717 -2.126 218 HG22 THR 23 2HG2 THR 23 8.260 2.038 -1.144 219 HG23 THR 23 3HG2 THR 23 7.963 2.276 -2.871 220 H ILE 24 H ILE 24 6.258 0.521 -4.746 221 HA ILE 24 HA ILE 24 5.081 -2.027 -4.072 222 HB ILE 24 HB ILE 24 7.110 -1.349 -6.235 223 HG12 ILE 24 2HG1 ILE 24 4.149 -1.855 -6.439 224 HG13 ILE 24 1HG1 ILE 24 4.880 -0.245 -6.504 225 HG21 ILE 24 1HG2 ILE 24 5.466 -3.858 -5.817 226 HG22 ILE 24 2HG2 ILE 24 7.211 -3.717 -5.613 227 HG23 ILE 24 3HG2 ILE 24 6.496 -3.535 -7.213 228 HD11 ILE 24 1HD1 ILE 24 5.259 -2.501 -8.472 229 HD12 ILE 24 2HD1 ILE 24 6.046 -0.923 -8.572 230 HD13 ILE 24 3HD1 ILE 24 4.292 -1.047 -8.720 231 H GLN 25 H GLN 25 5.908 -3.000 -2.338 232 HA GLN 25 HA GLN 25 8.797 -3.087 -2.001 233 HB2 GLN 25 2HB GLN 25 7.692 -2.398 -0.030 234 HB3 GLN 25 1HB GLN 25 6.510 -3.682 -0.111 235 HG2 GLN 25 2HG GLN 25 8.238 -5.310 0.338 236 HG3 GLN 25 1HG GLN 25 9.428 -4.015 0.416 237 HE21 GLN 25 1HE2 GLN 25 8.488 -5.933 2.395 238 HE22 GLN 25 2HE2 GLN 25 8.032 -5.013 3.787 239 H SER 26 H SER 26 9.850 -4.775 -2.684 240 HA SER 26 HA SER 26 8.446 -7.302 -2.998 241 HB2 SER 26 2HB SER 26 10.450 -7.841 -4.458 242 HB3 SER 26 1HB SER 26 9.429 -6.531 -5.057 243 HG SER 26 HG SER 26 11.023 -5.289 -4.933 244 H ASN 27 H ASN 27 9.556 -9.230 -2.230 245 HA ASN 27 HA ASN 27 10.842 -8.627 0.274 246 HB2 ASN 27 2HB ASN 27 10.610 -11.000 0.884 247 HB3 ASN 27 1HB ASN 27 9.096 -10.351 0.282 248 HD21 ASN 27 1HD2 ASN 27 8.239 -11.146 -1.621 249 HD22 ASN 27 2HD2 ASN 27 8.878 -12.551 -2.371 250 H GLU 28 H GLU 28 12.018 -8.818 -2.677 251 HA GLU 28 HA GLU 28 14.389 -10.327 -2.216 252 HB2 GLU 28 2HB GLU 28 13.838 -8.136 -4.219 253 HB3 GLU 28 1HB GLU 28 15.268 -9.156 -4.217 254 HG2 GLU 28 2HG GLU 28 12.426 -10.050 -4.637 255 HG3 GLU 28 1HG GLU 28 13.667 -9.891 -5.878 256 H ALA 29 H ALA 29 13.619 -6.846 -2.063 257 HA ALA 29 HA ALA 29 16.257 -6.366 -0.879 258 HB1 ALA 29 1HB ALA 29 15.844 -3.998 -1.319 259 HB2 ALA 29 2HB ALA 29 14.231 -4.391 -1.912 260 HB3 ALA 29 3HB ALA 29 15.657 -4.962 -2.785 261 H CYS 30 H CYS 30 12.870 -6.298 -0.120 262 HA CYS 30 HA CYS 30 13.449 -5.192 2.548 263 HB2 CYS 30 2HB CYS 30 10.825 -5.636 1.146 264 HB3 CYS 30 1HB CYS 30 11.062 -4.828 2.677 265 H ASN 31 H ASN 31 12.269 -6.326 4.343 266 HA ASN 31 HA ASN 31 12.885 -9.021 4.470 267 HB2 ASN 31 2HB ASN 31 10.815 -7.514 6.077 268 HB3 ASN 31 1HB ASN 31 11.342 -9.145 6.446 269 HD21 ASN 31 1HD2 ASN 31 12.148 -8.627 8.421 270 HD22 ASN 31 2HD2 ASN 31 13.552 -7.654 8.660 271 H ILE 32 H ILE 32 9.710 -7.594 3.881 272 HA ILE 32 HA ILE 32 8.801 -10.194 2.819 273 HB ILE 32 HB ILE 32 6.556 -9.745 3.720 274 HG12 ILE 32 2HG1 ILE 32 7.815 -7.324 5.042 275 HG13 ILE 32 1HG1 ILE 32 6.690 -7.275 3.693 276 HG21 ILE 32 1HG2 ILE 32 8.703 -9.531 5.795 277 HG22 ILE 32 2HG2 ILE 32 8.102 -11.038 5.098 278 HG23 ILE 32 3HG2 ILE 32 7.040 -10.039 6.115 279 HD11 ILE 32 1HD1 ILE 32 6.096 -8.293 6.461 280 HD12 ILE 32 2HD1 ILE 32 4.958 -8.239 5.114 281 HD13 ILE 32 3HD1 ILE 32 5.598 -6.741 5.791 282 H LYS 33 H LYS 33 6.629 -9.713 1.585 283 HA LYS 33 HA LYS 33 7.028 -7.349 -0.070 284 HB2 LYS 33 2HB LYS 33 6.754 -9.465 -1.279 285 HB3 LYS 33 1HB LYS 33 5.265 -9.790 -0.406 286 HG2 LYS 33 2HG LYS 33 4.236 -7.827 -1.455 287 HG3 LYS 33 1HG LYS 33 5.723 -7.538 -2.345 288 HD2 LYS 33 2HD LYS 33 5.531 -9.676 -3.446 289 HD3 LYS 33 1HD LYS 33 4.078 -10.054 -2.519 290 HE2 LYS 33 2HE LYS 33 2.924 -8.158 -3.541 291 HE3 LYS 33 1HE LYS 33 4.374 -7.759 -4.461 292 HZ1 LYS 33 1HZ LYS 33 2.858 -10.310 -4.714 293 HZ2 LYS 33 2HZ LYS 33 4.180 -9.823 -5.644 294 HZ3 LYS 33 3HZ LYS 33 2.731 -8.977 -5.754 295 H ALA 34 H ALA 34 5.976 -5.615 0.720 296 HA ALA 34 HA ALA 34 3.217 -5.916 1.573 297 HB1 ALA 34 1HB ALA 34 4.520 -6.047 3.643 298 HB2 ALA 34 2HB ALA 34 3.607 -4.539 3.566 299 HB3 ALA 34 3HB ALA 34 5.336 -4.541 3.223 300 H ILE 35 H ILE 35 2.193 -4.543 0.290 301 HA ILE 35 HA ILE 35 3.493 -2.378 -1.015 302 HB ILE 35 HB ILE 35 0.532 -2.927 -0.646 303 HG12 ILE 35 2HG1 ILE 35 1.757 -4.724 -1.776 304 HG13 ILE 35 1HG1 ILE 35 0.617 -3.938 -2.873 305 HG21 ILE 35 1HG2 ILE 35 0.207 -1.451 -2.610 306 HG22 ILE 35 2HG2 ILE 35 1.920 -1.079 -2.593 307 HG23 ILE 35 3HG2 ILE 35 0.910 -0.590 -1.245 308 HD11 ILE 35 1HD1 ILE 35 2.627 -4.443 -4.006 309 HD12 ILE 35 2HD1 ILE 35 3.620 -3.624 -2.782 310 HD13 ILE 35 3HD1 ILE 35 2.533 -2.697 -3.835 311 H ILE 36 H ILE 36 3.843 -0.339 -0.303 312 HA ILE 36 HA ILE 36 2.792 0.277 2.352 313 HB ILE 36 HB ILE 36 4.930 1.857 0.875 314 HG12 ILE 36 2HG1 ILE 36 6.489 0.830 2.660 315 HG13 ILE 36 1HG1 ILE 36 5.245 -0.397 2.842 316 HG21 ILE 36 1HG2 ILE 36 3.821 3.151 2.527 317 HG22 ILE 36 2HG2 ILE 36 5.468 2.736 3.047 318 HG23 ILE 36 3HG2 ILE 36 4.091 1.880 3.738 319 HD11 ILE 36 1HD1 ILE 36 5.506 -0.972 0.488 320 HD12 ILE 36 2HD1 ILE 36 7.006 -1.124 1.415 321 HD13 ILE 36 3HD1 ILE 36 6.753 0.277 0.364 322 H PHE 37 H PHE 37 1.039 1.342 2.360 323 HA PHE 37 HA PHE 37 0.145 3.017 0.191 324 HB2 PHE 37 2HB PHE 37 -0.982 2.054 2.790 325 HB3 PHE 37 1HB PHE 37 -1.778 3.343 1.882 326 HD1 PHE 37 1HD PHE 37 -0.063 0.474 0.455 327 HD2 PHE 37 2HD PHE 37 -3.739 2.213 1.416 328 HE1 PHE 37 1HE PHE 37 -1.246 -1.232 -0.960 329 HE2 PHE 37 2HE PHE 37 -4.929 0.561 0.046 330 HZ PHE 37 HZ PHE 37 -3.676 -1.156 -1.141 331 H THR 38 H THR 38 -0.029 5.143 0.257 332 HA THR 38 HA THR 38 0.897 6.447 2.699 333 HB THR 38 HB THR 38 1.373 7.399 -0.139 334 HG1 THR 38 1HG THR 38 2.583 5.560 1.374 335 HG21 THR 38 1HG2 THR 38 1.265 9.160 1.523 336 HG22 THR 38 2HG2 THR 38 2.933 8.958 0.978 337 HG23 THR 38 3HG2 THR 38 2.402 8.310 2.549 338 H THR 39 H THR 39 -0.467 8.019 3.451 339 HA THR 39 HA THR 39 -2.975 8.233 2.039 340 HB THR 39 HB THR 39 -3.651 9.533 4.117 341 HG1 THR 39 1HG THR 39 -2.231 8.836 5.949 342 HG21 THR 39 1HG2 THR 39 -4.322 7.259 3.745 343 HG22 THR 39 2HG2 THR 39 -3.937 7.476 5.452 344 HG23 THR 39 3HG2 THR 39 -2.788 6.660 4.380 345 H LYS 40 H LYS 40 -4.029 10.491 2.310 346 HA LYS 40 HA LYS 40 -2.451 12.355 0.884 347 HB2 LYS 40 2HB LYS 40 -4.871 12.953 2.527 348 HB3 LYS 40 1HB LYS 40 -4.329 13.869 1.121 349 HG2 LYS 40 2HG LYS 40 -4.773 11.509 -0.138 350 HG3 LYS 40 1HG LYS 40 -5.714 11.247 1.284 351 HD2 LYS 40 2HD LYS 40 -7.128 13.133 0.875 352 HD3 LYS 40 1HD LYS 40 -6.058 13.620 -0.452 353 HE2 LYS 40 2HE LYS 40 -6.610 11.700 -1.723 354 HE3 LYS 40 1HE LYS 40 -7.546 11.018 -0.402 355 HZ1 LYS 40 1HZ LYS 40 -9.097 12.836 -0.610 356 HZ2 LYS 40 2HZ LYS 40 -8.960 12.004 -2.063 357 HZ3 LYS 40 3HZ LYS 40 -8.213 13.503 -1.889 358 H LYS 41 H LYS 41 -2.721 11.587 4.162 359 HA LYS 41 HA LYS 41 -1.630 14.025 5.266 360 HB2 LYS 41 2HB LYS 41 -1.630 11.211 6.412 361 HB3 LYS 41 1HB LYS 41 -1.329 12.686 7.283 362 HG2 LYS 41 2HG LYS 41 -3.855 12.096 5.958 363 HG3 LYS 41 1HG LYS 41 -3.572 11.548 7.605 364 HD2 LYS 41 2HD LYS 41 -4.877 13.577 7.742 365 HD3 LYS 41 1HD LYS 41 -3.238 14.025 8.195 366 HE2 LYS 41 2HE LYS 41 -2.898 15.039 6.027 367 HE3 LYS 41 1HE LYS 41 -4.467 14.452 5.457 368 HZ1 LYS 41 1HZ LYS 41 -3.983 16.402 7.644 369 HZ2 LYS 41 2HZ LYS 41 -5.491 15.864 7.109 370 HZ3 LYS 41 3HZ LYS 41 -4.520 16.759 6.086 371 H GLY 42 H GLY 42 -0.558 11.376 3.508 372 HA2 GLY 42 2HA GLY 42 1.484 10.986 2.609 373 HA3 GLY 42 1HA GLY 42 2.141 12.288 3.572 374 H ARG 43 H ARG 43 0.349 9.997 5.347 375 HA ARG 43 HA ARG 43 2.621 9.073 6.761 376 HB2 ARG 43 2HB ARG 43 0.445 9.566 7.777 377 HB3 ARG 43 1HB ARG 43 -0.267 8.317 6.759 378 HG2 ARG 43 2HG ARG 43 0.991 6.636 7.831 379 HG3 ARG 43 1HG ARG 43 1.846 7.843 8.810 380 HD2 ARG 43 2HD ARG 43 -1.124 7.259 8.912 381 HD3 ARG 43 1HD ARG 43 0.051 6.723 10.109 382 HE ARG 43 HE ARG 43 0.016 9.565 9.675 383 HH11 ARG 43 1HH1 ARG 43 -1.394 6.934 11.587 384 HH12 ARG 43 2HH1 ARG 43 -1.851 7.946 12.869 385 HH21 ARG 43 1HH2 ARG 43 -0.624 10.930 11.400 386 HH22 ARG 43 2HH2 ARG 43 -1.412 10.289 12.763 387 H LYS 44 H LYS 44 3.410 6.927 6.758 388 HA LYS 44 HA LYS 44 2.816 5.363 4.367 389 HB2 LYS 44 2HB LYS 44 4.974 5.054 6.469 390 HB3 LYS 44 1HB LYS 44 4.809 4.035 5.054 391 HG2 LYS 44 2HG LYS 44 5.382 7.003 5.016 392 HG3 LYS 44 1HG LYS 44 6.570 5.723 4.775 393 HD2 LYS 44 2HD LYS 44 5.309 4.976 2.785 394 HD3 LYS 44 1HD LYS 44 4.180 6.309 3.024 395 HE2 LYS 44 2HE LYS 44 5.816 6.881 1.316 396 HE3 LYS 44 1HE LYS 44 6.020 7.905 2.732 397 HZ1 LYS 44 1HZ LYS 44 7.666 5.515 2.095 398 HZ2 LYS 44 2HZ LYS 44 7.904 6.522 3.414 399 HZ3 LYS 44 3HZ LYS 44 8.131 7.107 1.845 400 H ILE 45 H ILE 45 1.472 3.723 4.446 401 HA ILE 45 HA ILE 45 0.941 2.376 7.011 402 HB ILE 45 HB ILE 45 -0.931 2.606 4.629 403 HG12 ILE 45 2HG1 ILE 45 -2.446 3.892 6.296 404 HG13 ILE 45 1HG1 ILE 45 -0.980 4.094 7.270 405 HG21 ILE 45 1HG2 ILE 45 -1.395 1.349 7.326 406 HG22 ILE 45 2HG2 ILE 45 -1.256 0.529 5.770 407 HG23 ILE 45 3HG2 ILE 45 -2.633 1.582 6.092 408 HD11 ILE 45 1HD1 ILE 45 -1.536 6.028 5.955 409 HD12 ILE 45 2HD1 ILE 45 -1.439 5.076 4.486 410 HD13 ILE 45 3HD1 ILE 45 0.022 5.352 5.447 411 H CYS 46 H CYS 46 1.606 0.326 7.011 412 HA CYS 46 HA CYS 46 2.518 -0.933 4.569 413 HB2 CYS 46 2HB CYS 46 2.410 -1.938 7.400 414 HB3 CYS 46 1HB CYS 46 3.349 -2.647 6.094 415 H ALA 47 H ALA 47 1.078 -2.048 3.297 416 HA ALA 47 HA ALA 47 -1.153 -3.341 4.702 417 HB1 ALA 47 1HB ALA 47 -1.194 -2.128 1.944 418 HB2 ALA 47 2HB ALA 47 -1.879 -1.397 3.394 419 HB3 ALA 47 3HB ALA 47 -2.543 -2.907 2.769 420 H ASN 48 H ASN 48 -1.812 -5.359 4.050 421 HA ASN 48 HA ASN 48 0.130 -7.005 2.786 422 HB2 ASN 48 2HB ASN 48 -1.030 -7.927 4.601 423 HB3 ASN 48 1HB ASN 48 -2.602 -7.498 3.982 424 HD21 ASN 48 1HD2 ASN 48 0.048 -9.072 2.216 425 HD22 ASN 48 2HD2 ASN 48 -0.853 -10.521 1.929 426 HA PRO 49 HA PRO 49 -1.354 -6.148 -1.371 427 HB2 PRO 49 2HB PRO 49 0.267 -8.032 -2.527 428 HB3 PRO 49 1HB PRO 49 0.697 -6.339 -2.298 429 HG2 PRO 49 2HG PRO 49 1.501 -8.727 -0.725 430 HG3 PRO 49 1HG PRO 49 2.373 -7.214 -1.006 431 HD2 PRO 49 2HD PRO 49 1.174 -7.808 1.339 432 HD3 PRO 49 1HD PRO 49 1.352 -6.149 0.752 433 H ASN 50 H ASN 50 -1.272 -9.254 0.263 434 HA ASN 50 HA ASN 50 -2.622 -10.610 -1.782 435 HB2 ASN 50 2HB ASN 50 -2.511 -11.279 1.151 436 HB3 ASN 50 1HB ASN 50 -3.046 -12.312 -0.179 437 HD21 ASN 50 1HD2 ASN 50 -0.899 -12.510 1.778 438 HD22 ASN 50 2HD2 ASN 50 0.538 -12.833 0.869 439 H GLU 51 H GLU 51 -3.592 -8.290 0.553 440 HA GLU 51 HA GLU 51 -6.261 -9.267 0.867 441 HB2 GLU 51 2HB GLU 51 -5.257 -6.481 1.441 442 HB3 GLU 51 1HB GLU 51 -6.726 -7.223 2.031 443 HG2 GLU 51 2HG GLU 51 -5.100 -8.949 3.178 444 HG3 GLU 51 1HG GLU 51 -3.942 -7.743 2.707 445 H LYS 52 H LYS 52 -7.985 -8.744 -0.265 446 HA LYS 52 HA LYS 52 -7.522 -7.899 -2.895 447 HB2 LYS 52 2HB LYS 52 -10.168 -8.316 -1.500 448 HB3 LYS 52 1HB LYS 52 -9.913 -8.220 -3.239 449 HG2 LYS 52 2HG LYS 52 -8.855 -10.364 -1.394 450 HG3 LYS 52 1HG LYS 52 -10.160 -10.539 -2.567 451 HD2 LYS 52 2HD LYS 52 -8.596 -10.153 -4.405 452 HD3 LYS 52 1HD LYS 52 -7.289 -9.861 -3.260 453 HE2 LYS 52 2HE LYS 52 -7.495 -12.158 -2.448 454 HE3 LYS 52 1HE LYS 52 -8.790 -12.463 -3.597 455 HZ1 LYS 52 1HZ LYS 52 -6.674 -13.291 -4.387 456 HZ2 LYS 52 2HZ LYS 52 -5.968 -11.774 -4.296 457 HZ3 LYS 52 3HZ LYS 52 -7.200 -12.084 -5.410 458 H TRP 53 H TRP 53 -8.658 -6.200 -0.059 459 HA TRP 53 HA TRP 53 -9.655 -3.965 -1.463 460 HB2 TRP 53 2HB TRP 53 -9.579 -2.693 0.598 461 HB3 TRP 53 1HB TRP 53 -10.123 -4.317 0.968 462 HD1 TRP 53 HD TRP 53 -8.418 -5.845 2.481 463 HE1 TRP 53 1HE TRP 53 -6.541 -5.188 4.052 464 HE3 TRP 53 3HE TRP 53 -7.660 -1.038 0.893 465 HZ2 TRP 53 2HZ TRP 53 -4.879 -2.940 4.570 466 HZ3 TRP 53 3HZ TRP 53 -5.892 0.275 1.977 467 HH2 TRP 53 HH TRP 53 -4.537 -0.661 3.775 468 H VAL 54 H VAL 54 -6.464 -4.897 -0.503 469 HA VAL 54 HA VAL 54 -5.139 -2.458 -1.049 470 HB VAL 54 HB VAL 54 -4.123 -5.314 -0.875 471 HG11 VAL 54 1HG1 VAL 54 -2.523 -2.761 -1.025 472 HG12 VAL 54 2HG1 VAL 54 -2.576 -4.018 -2.255 473 HG13 VAL 54 3HG1 VAL 54 -1.859 -4.346 -0.671 474 HG21 VAL 54 1HG2 VAL 54 -3.958 -3.003 1.031 475 HG22 VAL 54 2HG2 VAL 54 -3.272 -4.607 1.290 476 HG23 VAL 54 3HG2 VAL 54 -5.024 -4.396 1.182 477 H GLN 55 H GLN 55 -5.808 -5.373 -2.811 478 HA GLN 55 HA GLN 55 -4.273 -4.816 -5.055 479 HB2 GLN 55 2HB GLN 55 -6.745 -6.499 -4.909 480 HB3 GLN 55 1HB GLN 55 -5.488 -6.578 -6.149 481 HG2 GLN 55 2HG GLN 55 -3.858 -7.003 -4.301 482 HG3 GLN 55 1HG GLN 55 -5.244 -7.222 -3.244 483 HE21 GLN 55 1HE2 GLN 55 -3.236 -8.982 -3.858 484 HE22 GLN 55 2HE2 GLN 55 -3.872 -10.360 -4.634 485 H LYS 56 H LYS 56 -7.676 -4.209 -4.315 486 HA LYS 56 HA LYS 56 -8.482 -3.036 -6.748 487 HB2 LYS 56 2HB LYS 56 -9.403 -2.380 -3.951 488 HB3 LYS 56 1HB LYS 56 -10.239 -1.937 -5.427 489 HG2 LYS 56 2HG LYS 56 -10.641 -4.300 -5.904 490 HG3 LYS 56 1HG LYS 56 -9.763 -4.736 -4.433 491 HD2 LYS 56 2HD LYS 56 -11.352 -3.463 -3.102 492 HD3 LYS 56 1HD LYS 56 -12.217 -3.023 -4.575 493 HE2 LYS 56 2HE LYS 56 -12.742 -5.373 -4.966 494 HE3 LYS 56 1HE LYS 56 -11.854 -5.819 -3.508 495 HZ1 LYS 56 1HZ LYS 56 -14.229 -5.702 -3.098 496 HZ2 LYS 56 2HZ LYS 56 -14.266 -4.062 -3.544 497 HZ3 LYS 56 3HZ LYS 56 -13.406 -4.557 -2.194 498 H ALA 57 H ALA 57 -7.056 -1.687 -3.823 499 HA ALA 57 HA ALA 57 -7.181 1.033 -4.513 500 HB1 ALA 57 1HB ALA 57 -5.422 1.359 -2.838 501 HB2 ALA 57 2HB ALA 57 -5.202 -0.375 -2.706 502 HB3 ALA 57 3HB ALA 57 -6.739 0.383 -2.210 503 H MET 58 H MET 58 -4.722 -1.392 -5.043 504 HA MET 58 HA MET 58 -2.803 0.308 -5.954 505 HB2 MET 58 2HB MET 58 -3.149 -2.618 -6.592 506 HB3 MET 58 1HB MET 58 -1.755 -1.692 -7.133 507 HG2 MET 58 2HG MET 58 -1.350 -1.095 -4.714 508 HG3 MET 58 1HG MET 58 -2.587 -2.274 -4.299 509 HE1 MET 58 1HE MET 58 -0.845 -5.603 -5.454 510 HE2 MET 58 2HE MET 58 -2.058 -4.663 -6.347 511 HE3 MET 58 3HE MET 58 -2.238 -4.940 -4.604 512 H LYS 59 H LYS 59 -5.315 -1.254 -7.828 513 HA LYS 59 HA LYS 59 -4.422 -0.275 -10.331 514 HB2 LYS 59 2HB LYS 59 -7.164 -1.147 -9.427 515 HB3 LYS 59 1HB LYS 59 -6.870 -0.530 -11.039 516 HG2 LYS 59 2HG LYS 59 -6.924 -2.948 -11.069 517 HG3 LYS 59 1HG LYS 59 -5.299 -2.392 -11.442 518 HD2 LYS 59 2HD LYS 59 -4.608 -2.882 -9.160 519 HD3 LYS 59 1HD LYS 59 -6.250 -3.383 -8.764 520 HE2 LYS 59 2HE LYS 59 -4.447 -4.690 -10.800 521 HE3 LYS 59 1HE LYS 59 -4.805 -5.304 -9.190 522 HZ1 LYS 59 1HZ LYS 59 -7.155 -5.469 -9.842 523 HZ2 LYS 59 2HZ LYS 59 -6.158 -6.391 -10.844 524 HZ3 LYS 59 3HZ LYS 59 -6.753 -4.931 -11.390 525 H HIS 60 H HIS 60 -6.695 1.073 -7.992 526 HA HIS 60 HA HIS 60 -7.383 3.281 -9.599 527 HB2 HIS 60 2HB HIS 60 -8.848 2.541 -7.850 528 HB3 HIS 60 1HB HIS 60 -7.586 2.756 -6.643 529 HD1 HIS 60 1HD HIS 60 -9.949 4.771 -8.838 530 HD2 HIS 60 2HD HIS 60 -7.389 5.238 -5.631 531 HE1 HIS 60 1HE HIS 60 -10.401 7.081 -7.980 532 HE2 HIS 60 2HE HIS 60 -8.830 7.391 -6.055 533 H LEU 61 H LEU 61 -4.860 2.676 -7.289 534 HA LEU 61 HA LEU 61 -4.032 5.385 -7.120 535 HB2 LEU 61 2HB LEU 61 -2.649 2.837 -6.323 536 HB3 LEU 61 1HB LEU 61 -2.014 4.443 -6.000 537 HG LEU 61 HG LEU 61 -4.660 3.416 -4.964 538 HD11 LEU 61 1HD1 LEU 61 -2.008 3.683 -3.561 539 HD12 LEU 61 2HD1 LEU 61 -2.892 2.183 -3.927 540 HD13 LEU 61 3HD1 LEU 61 -3.558 3.341 -2.797 541 HD21 LEU 61 1HD2 LEU 61 -3.084 5.901 -4.325 542 HD22 LEU 61 2HD2 LEU 61 -4.567 5.393 -3.522 543 HD23 LEU 61 3HD2 LEU 61 -4.605 5.836 -5.224 544 H ASP 62 H ASP 62 -3.146 2.724 -9.249 545 HA ASP 62 HA ASP 62 -0.926 4.230 -10.290 546 HB2 ASP 62 2HB ASP 62 -2.189 1.682 -11.160 547 HB3 ASP 62 1HB ASP 62 -0.952 2.472 -12.142 548 H LYS 63 H LYS 63 -4.259 3.829 -11.206 549 HA LYS 63 HA LYS 63 -3.668 5.878 -13.093 550 HB2 LYS 63 2HB LYS 63 -5.379 5.070 -14.732 551 HB3 LYS 63 1HB LYS 63 -3.923 4.114 -14.622 552 HG2 LYS 63 2HG LYS 63 -6.447 3.346 -13.202 553 HG3 LYS 63 1HG LYS 63 -6.152 2.942 -14.889 554 HD2 LYS 63 2HD LYS 63 -4.110 1.740 -14.229 555 HD3 LYS 63 1HD LYS 63 -4.425 2.154 -12.542 556 HE2 LYS 63 2HE LYS 63 -5.156 -0.120 -13.017 557 HE3 LYS 63 1HE LYS 63 -6.521 0.916 -12.625 558 HZ1 LYS 63 1HZ LYS 63 -5.719 0.102 -15.370 559 HZ2 LYS 63 2HZ LYS 63 -7.029 1.089 -14.985 560 HZ3 LYS 63 3HZ LYS 63 -7.028 -0.497 -14.492 561 H LYS 64 H LYS 64 -4.257 7.434 -12.004 562 HA LYS 64 HA LYS 64 -7.119 7.811 -11.780 563 HB2 LYS 64 2HB LYS 64 -6.788 9.058 -9.625 564 HB3 LYS 64 1HB LYS 64 -6.425 7.348 -9.497 565 HG2 LYS 64 2HG LYS 64 -4.018 7.886 -9.664 566 HG3 LYS 64 1HG LYS 64 -4.432 9.599 -9.703 567 HD2 LYS 64 2HD LYS 64 -5.529 9.339 -7.503 568 HD3 LYS 64 1HD LYS 64 -5.000 7.656 -7.470 569 HE2 LYS 64 2HE LYS 64 -3.244 10.104 -7.544 570 HE3 LYS 64 1HE LYS 64 -3.483 9.023 -6.175 571 HZ1 LYS 64 1HZ LYS 64 -2.469 7.218 -7.574 572 HZ2 LYS 64 2HZ LYS 64 -1.431 8.456 -7.215 573 HZ3 LYS 64 3HZ LYS 64 -2.118 8.380 -8.743 Start of MODEL 20 1 H1 ALA 1 1HT ALA 1 19.187 6.104 10.536 2 H2 ALA 1 2HT ALA 1 17.542 6.494 10.756 3 H3 ALA 1 3HT ALA 1 18.367 7.021 9.388 4 HA ALA 1 HA ALA 1 18.602 4.867 8.553 5 HB1 ALA 1 1HB ALA 1 18.790 3.654 10.664 6 HB2 ALA 1 2HB ALA 1 17.505 2.969 9.667 7 HB3 ALA 1 3HB ALA 1 17.105 4.013 11.027 8 H ARG 2 H ARG 2 17.368 5.307 6.896 9 HA ARG 2 HA ARG 2 14.609 6.093 7.249 10 HB2 ARG 2 2HB ARG 2 16.055 7.261 5.625 11 HB3 ARG 2 1HB ARG 2 16.307 5.751 4.771 12 HG2 ARG 2 2HG ARG 2 13.919 5.661 4.227 13 HG3 ARG 2 1HG ARG 2 13.674 7.184 5.075 14 HD2 ARG 2 2HD ARG 2 13.866 7.567 2.690 15 HD3 ARG 2 1HD ARG 2 15.231 8.287 3.545 16 HE ARG 2 HE ARG 2 15.640 5.621 2.561 17 HH11 ARG 2 1HH1 ARG 2 16.017 9.091 1.862 18 HH12 ARG 2 2HH1 ARG 2 17.231 8.866 0.705 19 HH21 ARG 2 1HH2 ARG 2 17.312 5.324 0.910 20 HH22 ARG 2 2HH2 ARG 2 17.964 6.682 0.132 21 H LYS 3 H LYS 3 13.156 4.524 7.423 22 HA LYS 3 HA LYS 3 13.644 2.091 5.877 23 HB2 LYS 3 2HB LYS 3 12.360 2.210 8.605 24 HB3 LYS 3 1HB LYS 3 12.558 0.775 7.611 25 HG2 LYS 3 2HG LYS 3 15.001 1.022 7.779 26 HG3 LYS 3 1HG LYS 3 14.772 2.430 8.814 27 HD2 LYS 3 2HD LYS 3 15.212 0.513 10.206 28 HD3 LYS 3 1HD LYS 3 13.530 0.989 10.410 29 HE2 LYS 3 2HE LYS 3 12.858 -0.787 8.813 30 HE3 LYS 3 1HE LYS 3 14.545 -1.271 8.683 31 HZ1 LYS 3 1HZ LYS 3 12.882 -1.339 11.128 32 HZ2 LYS 3 2HZ LYS 3 14.513 -1.739 11.078 33 HZ3 LYS 3 3HZ LYS 3 13.385 -2.670 10.241 34 H SER 4 H SER 4 12.335 2.285 4.237 35 HA SER 4 HA SER 4 9.547 2.936 4.782 36 HB2 SER 4 2HB SER 4 10.714 4.406 3.122 37 HB3 SER 4 1HB SER 4 11.063 2.984 2.143 38 HG SER 4 HG SER 4 8.837 2.639 1.989 39 H CYS 5 H CYS 5 10.927 0.466 5.329 40 HA CYS 5 HA CYS 5 9.491 -1.363 3.535 41 HB2 CYS 5 2HB CYS 5 11.906 -1.875 5.293 42 HB3 CYS 5 1HB CYS 5 11.037 -3.120 4.422 43 H CYS 6 H CYS 6 8.306 -2.993 4.555 44 HA CYS 6 HA CYS 6 7.659 -2.470 7.340 45 HB2 CYS 6 2HB CYS 6 6.032 -3.499 5.050 46 HB3 CYS 6 1HB CYS 6 5.464 -3.348 6.709 47 H LEU 7 H LEU 7 7.219 -4.223 8.602 48 HA LEU 7 HA LEU 7 8.338 -6.790 7.714 49 HB2 LEU 7 2HB LEU 7 8.199 -5.622 10.509 50 HB3 LEU 7 1HB LEU 7 8.717 -7.247 10.155 51 HG LEU 7 HG LEU 7 10.657 -6.262 8.874 52 HD11 LEU 7 1HD1 LEU 7 11.302 -3.951 9.301 53 HD12 LEU 7 2HD1 LEU 7 9.771 -3.675 10.135 54 HD13 LEU 7 3HD1 LEU 7 9.782 -4.048 8.410 55 HD21 LEU 7 1HD2 LEU 7 10.919 -7.110 11.125 56 HD22 LEU 7 2HD2 LEU 7 10.438 -5.549 11.790 57 HD23 LEU 7 3HD2 LEU 7 11.938 -5.691 10.875 58 H LYS 8 H LYS 8 5.556 -5.129 8.785 59 HA LYS 8 HA LYS 8 4.080 -7.656 9.035 60 HB2 LYS 8 2HB LYS 8 3.610 -5.172 10.684 61 HB3 LYS 8 1HB LYS 8 2.734 -6.689 10.816 62 HG2 LYS 8 2HG LYS 8 4.822 -7.762 11.624 63 HG3 LYS 8 1HG LYS 8 5.615 -6.187 11.572 64 HD2 LYS 8 2HD LYS 8 3.237 -6.961 13.269 65 HD3 LYS 8 1HD LYS 8 4.878 -6.668 13.833 66 HE2 LYS 8 2HE LYS 8 4.699 -4.322 13.111 67 HE3 LYS 8 1HE LYS 8 3.066 -4.632 12.537 68 HZ1 LYS 8 1HZ LYS 8 2.455 -5.215 14.852 69 HZ2 LYS 8 2HZ LYS 8 2.984 -3.614 14.690 70 HZ3 LYS 8 3HZ LYS 8 4.011 -4.765 15.331 71 H TYR 9 H TYR 9 1.729 -7.256 8.581 72 HA TYR 9 HA TYR 9 1.347 -4.960 6.788 73 HB2 TYR 9 2HB TYR 9 -0.509 -7.434 6.742 74 HB3 TYR 9 1HB TYR 9 -0.259 -6.167 5.616 75 HD1 TYR 9 1HD TYR 9 1.219 -6.314 3.894 76 HD2 TYR 9 2HD TYR 9 1.375 -9.165 7.009 77 HE1 TYR 9 1HE TYR 9 2.717 -7.717 2.532 78 HE2 TYR 9 2HE TYR 9 2.866 -10.579 5.670 79 HH TYR 9 HH TYR 9 4.323 -9.421 2.800 80 H THR 10 H THR 10 -0.682 -3.788 7.038 81 HA THR 10 HA THR 10 -1.527 -3.552 9.692 82 HB THR 10 HB THR 10 -1.493 -1.580 8.234 83 HG1 THR 10 1HG THR 10 -4.118 -1.403 8.410 84 HG21 THR 10 1HG2 THR 10 -3.126 -1.278 6.419 85 HG22 THR 10 2HG2 THR 10 -3.700 -2.930 6.664 86 HG23 THR 10 3HG2 THR 10 -2.053 -2.638 6.101 87 H LYS 11 H LYS 11 -3.414 -4.251 10.663 88 HA LYS 11 HA LYS 11 -4.876 -6.362 9.321 89 HB2 LYS 11 2HB LYS 11 -6.042 -6.668 11.462 90 HB3 LYS 11 1HB LYS 11 -4.307 -6.603 11.720 91 HG2 LYS 11 2HG LYS 11 -4.485 -4.308 12.509 92 HG3 LYS 11 1HG LYS 11 -6.216 -4.310 12.182 93 HD2 LYS 11 2HD LYS 11 -6.499 -6.119 13.836 94 HD3 LYS 11 1HD LYS 11 -4.766 -6.059 14.170 95 HE2 LYS 11 2HE LYS 11 -4.979 -3.745 14.926 96 HE3 LYS 11 1HE LYS 11 -6.701 -3.772 14.554 97 HZ1 LYS 11 1HZ LYS 11 -5.335 -5.443 16.606 98 HZ2 LYS 11 2HZ LYS 11 -6.971 -5.521 16.239 99 HZ3 LYS 11 3HZ LYS 11 -6.334 -4.127 16.912 100 H ARG 12 H ARG 12 -5.155 -3.044 9.975 101 HA ARG 12 HA ARG 12 -8.034 -2.920 9.549 102 HB2 ARG 12 2HB ARG 12 -7.051 -1.749 11.440 103 HB3 ARG 12 1HB ARG 12 -5.991 -0.869 10.363 104 HG2 ARG 12 2HG ARG 12 -7.935 0.261 9.387 105 HG3 ARG 12 1HG ARG 12 -8.994 -0.615 10.501 106 HD2 ARG 12 2HD ARG 12 -7.763 0.326 12.394 107 HD3 ARG 12 1HD ARG 12 -6.744 1.222 11.274 108 HE ARG 12 HE ARG 12 -9.373 1.916 10.757 109 HH11 ARG 12 1HH1 ARG 12 -7.022 2.179 13.389 110 HH12 ARG 12 2HH1 ARG 12 -7.671 3.606 14.038 111 HH21 ARG 12 1HH2 ARG 12 -10.292 3.894 11.646 112 HH22 ARG 12 2HH2 ARG 12 -9.588 4.620 13.003 113 HA PRO 13 HA PRO 13 -7.180 -1.830 5.290 114 HB2 PRO 13 2HB PRO 13 -9.763 -1.125 4.664 115 HB3 PRO 13 1HB PRO 13 -9.177 -2.789 4.675 116 HG2 PRO 13 2HG PRO 13 -10.753 -1.322 6.738 117 HG3 PRO 13 1HG PRO 13 -10.884 -3.009 6.211 118 HD2 PRO 13 2HD PRO 13 -9.659 -2.257 8.503 119 HD3 PRO 13 1HD PRO 13 -9.174 -3.696 7.592 120 H LEU 14 H LEU 14 -6.993 0.113 4.159 121 HA LEU 14 HA LEU 14 -7.457 2.572 5.688 122 HB2 LEU 14 2HB LEU 14 -5.099 2.016 5.036 123 HB3 LEU 14 1HB LEU 14 -5.600 1.988 3.368 124 HG LEU 14 HG LEU 14 -6.127 4.405 3.533 125 HD11 LEU 14 1HD1 LEU 14 -5.245 5.667 5.419 126 HD12 LEU 14 2HD1 LEU 14 -4.805 4.174 6.227 127 HD13 LEU 14 3HD1 LEU 14 -6.509 4.549 5.951 128 HD21 LEU 14 1HD2 LEU 14 -3.325 3.585 4.255 129 HD22 LEU 14 2HD2 LEU 14 -3.794 5.115 3.511 130 HD23 LEU 14 3HD2 LEU 14 -4.023 3.597 2.640 131 HA PRO 15 HA PRO 15 -10.640 3.230 2.544 132 HB2 PRO 15 2HB PRO 15 -10.390 6.064 3.397 133 HB3 PRO 15 1HB PRO 15 -11.825 5.038 3.336 134 HG2 PRO 15 2HG PRO 15 -10.718 5.662 5.673 135 HG3 PRO 15 1HG PRO 15 -11.367 4.038 5.381 136 HD2 PRO 15 2HD PRO 15 -8.527 4.978 5.350 137 HD3 PRO 15 1HD PRO 15 -9.221 3.482 6.028 138 H LEU 16 H LEU 16 -10.466 3.734 0.481 139 HA LEU 16 HA LEU 16 -7.985 4.402 -0.656 140 HB2 LEU 16 2HB LEU 16 -9.381 2.933 -1.805 141 HB3 LEU 16 1HB LEU 16 -10.716 4.107 -1.844 142 HG LEU 16 HG LEU 16 -9.272 5.398 -3.406 143 HD11 LEU 16 1HD1 LEU 16 -7.388 4.213 -4.443 144 HD12 LEU 16 2HD1 LEU 16 -7.580 2.902 -3.282 145 HD13 LEU 16 3HD1 LEU 16 -7.098 4.504 -2.730 146 HD21 LEU 16 1HD2 LEU 16 -9.987 2.580 -4.062 147 HD22 LEU 16 2HD2 LEU 16 -9.709 3.889 -5.240 148 HD23 LEU 16 3HD2 LEU 16 -11.041 4.014 -4.078 149 H LYS 17 H LYS 17 -10.762 6.303 0.031 150 HA LYS 17 HA LYS 17 -10.268 8.569 -1.574 151 HB2 LYS 17 2HB LYS 17 -11.523 8.466 1.156 152 HB3 LYS 17 1HB LYS 17 -11.642 9.798 0.022 153 HG2 LYS 17 2HG LYS 17 -12.861 8.377 -1.523 154 HG3 LYS 17 1HG LYS 17 -12.733 7.029 -0.387 155 HD2 LYS 17 2HD LYS 17 -13.927 8.359 1.297 156 HD3 LYS 17 1HD LYS 17 -14.083 9.669 0.125 157 HE2 LYS 17 2HE LYS 17 -15.332 8.185 -1.343 158 HE3 LYS 17 1HE LYS 17 -15.186 6.895 -0.153 159 HZ1 LYS 17 1HZ LYS 17 -17.317 8.016 -0.016 160 HZ2 LYS 17 2HZ LYS 17 -16.549 9.485 0.294 161 HZ3 LYS 17 3HZ LYS 17 -16.432 8.224 1.411 162 H ARG 18 H ARG 18 -8.482 7.333 0.884 163 HA ARG 18 HA ARG 18 -7.385 9.970 1.756 164 HB2 ARG 18 2HB ARG 18 -7.571 7.353 3.234 165 HB3 ARG 18 1HB ARG 18 -6.718 8.771 3.844 166 HG2 ARG 18 2HG ARG 18 -8.797 9.992 3.969 167 HG3 ARG 18 1HG ARG 18 -9.634 8.668 3.155 168 HD2 ARG 18 2HD ARG 18 -10.000 8.695 5.604 169 HD3 ARG 18 1HD ARG 18 -9.270 7.211 5.010 170 HE ARG 18 HE ARG 18 -7.224 8.924 5.799 171 HH11 ARG 18 1HH1 ARG 18 -9.942 7.234 7.293 172 HH12 ARG 18 2HH1 ARG 18 -9.144 6.898 8.748 173 HH21 ARG 18 1HH2 ARG 18 -6.097 8.465 7.826 174 HH22 ARG 18 2HH2 ARG 18 -6.907 7.625 9.059 175 H ILE 19 H ILE 19 -6.643 7.770 -0.365 176 HA ILE 19 HA ILE 19 -3.867 7.361 0.513 177 HB ILE 19 HB ILE 19 -5.397 5.707 -1.521 178 HG12 ILE 19 2HG1 ILE 19 -4.726 4.988 1.326 179 HG13 ILE 19 1HG1 ILE 19 -6.332 5.472 0.852 180 HG21 ILE 19 1HG2 ILE 19 -2.771 5.261 -0.078 181 HG22 ILE 19 2HG2 ILE 19 -2.943 5.692 -1.776 182 HG23 ILE 19 3HG2 ILE 19 -3.513 4.122 -1.198 183 HD11 ILE 19 1HD1 ILE 19 -6.342 3.509 -0.730 184 HD12 ILE 19 2HD1 ILE 19 -6.228 3.089 0.985 185 HD13 ILE 19 3HD1 ILE 19 -4.801 3.068 -0.051 186 H LYS 20 H LYS 20 -2.409 8.358 -0.655 187 HA LYS 20 HA LYS 20 -3.202 9.711 -3.059 188 HB2 LYS 20 2HB LYS 20 -0.495 9.660 -1.723 189 HB3 LYS 20 1HB LYS 20 -0.926 10.670 -3.078 190 HG2 LYS 20 2HG LYS 20 -1.966 10.777 -0.314 191 HG3 LYS 20 1HG LYS 20 -0.979 11.982 -1.152 192 HD2 LYS 20 2HD LYS 20 -3.848 11.230 -1.620 193 HD3 LYS 20 1HD LYS 20 -3.235 12.760 -1.054 194 HE2 LYS 20 2HE LYS 20 -2.774 11.648 -3.825 195 HE3 LYS 20 1HE LYS 20 -3.899 12.941 -3.426 196 HZ1 LYS 20 1HZ LYS 20 -1.934 14.268 -2.700 197 HZ2 LYS 20 2HZ LYS 20 -1.942 13.867 -4.317 198 HZ3 LYS 20 3HZ LYS 20 -0.919 13.041 -3.287 199 H SER 21 H SER 21 -1.033 7.017 -2.112 200 HA SER 21 HA SER 21 -0.960 5.847 -4.650 201 HB2 SER 21 2HB SER 21 1.446 6.326 -5.160 202 HB3 SER 21 1HB SER 21 0.414 7.753 -5.298 203 HG SER 21 HG SER 21 1.238 7.585 -2.801 204 H TYR 22 H TYR 22 0.944 4.160 -4.623 205 HA TYR 22 HA TYR 22 1.582 3.446 -1.861 206 HB2 TYR 22 2HB TYR 22 1.220 1.095 -2.332 207 HB3 TYR 22 1HB TYR 22 -0.257 1.986 -2.615 208 HD1 TYR 22 1HD TYR 22 -1.368 1.733 -4.622 209 HD2 TYR 22 2HD TYR 22 2.651 0.429 -4.392 210 HE1 TYR 22 1HE TYR 22 -1.588 0.652 -6.824 211 HE2 TYR 22 2HE TYR 22 2.439 -0.649 -6.589 212 HH TYR 22 HH TYR 22 -0.207 -0.090 -8.663 213 H THR 23 H THR 23 3.356 2.045 -1.690 214 HA THR 23 HA THR 23 5.301 2.380 -3.861 215 HB THR 23 HB THR 23 5.796 2.198 -0.869 216 HG1 THR 23 1HG THR 23 5.086 4.248 -2.358 217 HG21 THR 23 1HG2 THR 23 7.601 1.218 -2.219 218 HG22 THR 23 2HG2 THR 23 8.138 2.711 -1.435 219 HG23 THR 23 3HG2 THR 23 7.715 2.711 -3.149 220 H ILE 24 H ILE 24 6.341 0.531 -4.501 221 HA ILE 24 HA ILE 24 5.208 -1.936 -3.540 222 HB ILE 24 HB ILE 24 7.088 -1.396 -5.858 223 HG12 ILE 24 2HG1 ILE 24 4.120 -2.002 -5.823 224 HG13 ILE 24 1HG1 ILE 24 4.834 -0.430 -6.153 225 HG21 ILE 24 1HG2 ILE 24 5.632 -3.940 -5.096 226 HG22 ILE 24 2HG2 ILE 24 7.373 -3.668 -5.004 227 HG23 ILE 24 3HG2 ILE 24 6.565 -3.700 -6.573 228 HD11 ILE 24 1HD1 ILE 24 5.158 -2.913 -7.825 229 HD12 ILE 24 2HD1 ILE 24 5.870 -1.333 -8.170 230 HD13 ILE 24 3HD1 ILE 24 4.119 -1.535 -8.195 231 H GLN 25 H GLN 25 6.135 -2.735 -1.793 232 HA GLN 25 HA GLN 25 8.956 -2.433 -1.346 233 HB2 GLN 25 2HB GLN 25 7.577 -2.219 0.552 234 HB3 GLN 25 1HB GLN 25 6.704 -3.694 0.192 235 HG2 GLN 25 2HG GLN 25 8.656 -4.997 0.693 236 HG3 GLN 25 1HG GLN 25 9.572 -3.524 1.003 237 HE21 GLN 25 1HE2 GLN 25 8.806 -5.807 2.689 238 HE22 GLN 25 2HE2 GLN 25 8.095 -5.110 4.098 239 H SER 26 H SER 26 10.331 -3.766 -2.191 240 HA SER 26 HA SER 26 9.425 -6.328 -3.145 241 HB2 SER 26 2HB SER 26 10.782 -4.922 -4.640 242 HB3 SER 26 1HB SER 26 12.089 -4.927 -3.454 243 HG SER 26 HG SER 26 11.004 -7.280 -4.579 244 H ASN 27 H ASN 27 10.067 -8.251 -2.300 245 HA ASN 27 HA ASN 27 10.900 -8.396 0.360 246 HB2 ASN 27 2HB ASN 27 9.365 -9.870 -1.022 247 HB3 ASN 27 1HB ASN 27 10.807 -10.519 -1.774 248 HD21 ASN 27 1HD2 ASN 27 8.725 -11.726 -0.259 249 HD22 ASN 27 2HD2 ASN 27 9.482 -12.513 1.073 250 H GLU 28 H GLU 28 12.573 -7.973 -2.561 251 HA GLU 28 HA GLU 28 14.955 -9.388 -1.970 252 HB2 GLU 28 2HB GLU 28 14.484 -7.041 -3.809 253 HB3 GLU 28 1HB GLU 28 15.949 -8.008 -3.750 254 HG2 GLU 28 2HG GLU 28 13.213 -9.002 -4.509 255 HG3 GLU 28 1HG GLU 28 14.529 -8.639 -5.623 256 H ALA 29 H ALA 29 13.890 -6.044 -1.475 257 HA ALA 29 HA ALA 29 16.442 -5.444 -0.144 258 HB1 ALA 29 1HB ALA 29 15.934 -3.094 -0.523 259 HB2 ALA 29 2HB ALA 29 14.366 -3.529 -1.206 260 HB3 ALA 29 3HB ALA 29 15.849 -4.002 -2.032 261 H CYS 30 H CYS 30 13.330 -6.277 0.647 262 HA CYS 30 HA CYS 30 13.571 -4.998 3.280 263 HB2 CYS 30 2HB CYS 30 11.031 -5.381 1.704 264 HB3 CYS 30 1HB CYS 30 11.149 -4.654 3.291 265 H ASN 31 H ASN 31 12.082 -6.210 4.886 266 HA ASN 31 HA ASN 31 12.849 -8.911 4.960 267 HB2 ASN 31 2HB ASN 31 10.674 -7.516 6.535 268 HB3 ASN 31 1HB ASN 31 11.172 -9.171 6.835 269 HD21 ASN 31 1HD2 ASN 31 11.838 -8.755 8.901 270 HD22 ASN 31 2HD2 ASN 31 13.227 -7.820 9.302 271 H ILE 32 H ILE 32 9.746 -7.509 4.083 272 HA ILE 32 HA ILE 32 8.954 -10.106 2.921 273 HB ILE 32 HB ILE 32 6.638 -9.745 3.671 274 HG12 ILE 32 2HG1 ILE 32 7.733 -7.338 5.157 275 HG13 ILE 32 1HG1 ILE 32 6.705 -7.271 3.736 276 HG21 ILE 32 1HG2 ILE 32 8.601 -9.538 5.919 277 HG22 ILE 32 2HG2 ILE 32 8.133 -11.039 5.108 278 HG23 ILE 32 3HG2 ILE 32 6.947 -10.139 6.076 279 HD11 ILE 32 1HD1 ILE 32 5.945 -8.393 6.420 280 HD12 ILE 32 2HD1 ILE 32 4.901 -8.322 4.999 281 HD13 ILE 32 3HD1 ILE 32 5.455 -6.834 5.762 282 H LYS 33 H LYS 33 6.856 -9.618 1.527 283 HA LYS 33 HA LYS 33 7.355 -7.134 0.100 284 HB2 LYS 33 2HB LYS 33 7.242 -9.153 -1.315 285 HB3 LYS 33 1HB LYS 33 5.645 -9.518 -0.671 286 HG2 LYS 33 2HG LYS 33 4.769 -7.460 -1.649 287 HG3 LYS 33 1HG LYS 33 6.365 -7.075 -2.274 288 HD2 LYS 33 2HD LYS 33 6.315 -9.113 -3.648 289 HD3 LYS 33 1HD LYS 33 4.698 -9.476 -3.035 290 HE2 LYS 33 2HE LYS 33 3.861 -7.382 -3.961 291 HE3 LYS 33 1HE LYS 33 5.473 -6.988 -4.555 292 HZ1 LYS 33 1HZ LYS 33 3.824 -9.299 -5.431 293 HZ2 LYS 33 2HZ LYS 33 5.355 -8.920 -6.009 294 HZ3 LYS 33 3HZ LYS 33 4.054 -7.886 -6.293 295 H ALA 34 H ALA 34 6.117 -5.445 0.843 296 HA ALA 34 HA ALA 34 3.332 -5.992 1.493 297 HB1 ALA 34 1HB ALA 34 4.531 -5.937 3.665 298 HB2 ALA 34 2HB ALA 34 3.494 -4.535 3.494 299 HB3 ALA 34 3HB ALA 34 5.228 -4.383 3.244 300 H ILE 35 H ILE 35 2.174 -4.709 0.204 301 HA ILE 35 HA ILE 35 3.404 -2.479 -1.061 302 HB ILE 35 HB ILE 35 0.508 -3.375 -1.060 303 HG12 ILE 35 2HG1 ILE 35 2.134 -4.886 -2.080 304 HG13 ILE 35 1HG1 ILE 35 1.055 -4.219 -3.320 305 HG21 ILE 35 1HG2 ILE 35 0.174 -1.795 -2.946 306 HG22 ILE 35 2HG2 ILE 35 1.825 -1.243 -2.764 307 HG23 ILE 35 3HG2 ILE 35 0.668 -0.927 -1.491 308 HD11 ILE 35 1HD1 ILE 35 3.289 -4.361 -4.102 309 HD12 ILE 35 2HD1 ILE 35 3.904 -3.489 -2.703 310 HD13 ILE 35 3HD1 ILE 35 2.893 -2.652 -3.890 311 H ILE 36 H ILE 36 3.520 -0.527 -0.492 312 HA ILE 36 HA ILE 36 2.578 0.067 2.181 313 HB ILE 36 HB ILE 36 4.723 1.276 0.447 314 HG12 ILE 36 2HG1 ILE 36 5.115 -0.344 2.907 315 HG13 ILE 36 1HG1 ILE 36 4.848 -1.154 1.364 316 HG21 ILE 36 1HG2 ILE 36 3.826 2.876 2.096 317 HG22 ILE 36 2HG2 ILE 36 5.448 2.351 2.542 318 HG23 ILE 36 3HG2 ILE 36 4.045 1.676 3.374 319 HD11 ILE 36 1HD1 ILE 36 6.788 -0.120 0.465 320 HD12 ILE 36 2HD1 ILE 36 7.180 -0.943 1.978 321 HD13 ILE 36 3HD1 ILE 36 7.039 0.822 1.943 322 H PHE 37 H PHE 37 0.795 1.126 2.177 323 HA PHE 37 HA PHE 37 -0.072 2.858 0.049 324 HB2 PHE 37 2HB PHE 37 -1.202 1.772 2.579 325 HB3 PHE 37 1HB PHE 37 -1.990 3.158 1.798 326 HD1 PHE 37 1HD PHE 37 -0.308 0.540 -0.017 327 HD2 PHE 37 2HD PHE 37 -4.003 1.958 1.351 328 HE1 PHE 37 1HE PHE 37 -1.493 -1.017 -1.603 329 HE2 PHE 37 2HE PHE 37 -5.192 0.448 -0.181 330 HZ PHE 37 HZ PHE 37 -3.922 -1.031 -1.658 331 H THR 38 H THR 38 0.130 4.904 0.020 332 HA THR 38 HA THR 38 1.057 6.143 2.493 333 HB THR 38 HB THR 38 1.562 7.053 -0.354 334 HG1 THR 38 1HG THR 38 2.626 5.104 1.020 335 HG21 THR 38 1HG2 THR 38 1.567 8.860 1.235 336 HG22 THR 38 2HG2 THR 38 3.245 8.531 0.758 337 HG23 THR 38 3HG2 THR 38 2.615 7.965 2.317 338 H THR 39 H THR 39 -0.159 7.740 3.327 339 HA THR 39 HA THR 39 -2.676 8.266 2.029 340 HB THR 39 HB THR 39 -3.138 9.567 4.158 341 HG1 THR 39 1HG THR 39 -1.570 8.484 5.824 342 HG21 THR 39 1HG2 THR 39 -3.997 7.328 3.792 343 HG22 THR 39 2HG2 THR 39 -3.534 7.520 5.479 344 HG23 THR 39 3HG2 THR 39 -2.486 6.632 4.370 345 H LYS 40 H LYS 40 -3.455 10.619 2.439 346 HA LYS 40 HA LYS 40 -1.855 12.328 0.833 347 HB2 LYS 40 2HB LYS 40 -3.931 13.254 2.744 348 HB3 LYS 40 1HB LYS 40 -3.508 13.982 1.200 349 HG2 LYS 40 2HG LYS 40 -4.478 11.633 0.238 350 HG3 LYS 40 1HG LYS 40 -5.184 11.620 1.818 351 HD2 LYS 40 2HD LYS 40 -6.243 13.756 1.504 352 HD3 LYS 40 1HD LYS 40 -5.435 13.863 -0.077 353 HE2 LYS 40 2HE LYS 40 -6.593 11.968 -0.879 354 HE3 LYS 40 1HE LYS 40 -7.350 11.707 0.682 355 HZ1 LYS 40 1HZ LYS 40 -8.514 13.811 0.475 356 HZ2 LYS 40 2HZ LYS 40 -8.827 12.856 -0.906 357 HZ3 LYS 40 3HZ LYS 40 -7.742 14.119 -0.992 358 H LYS 41 H LYS 41 -1.941 11.759 4.209 359 HA LYS 41 HA LYS 41 -0.386 14.078 4.860 360 HB2 LYS 41 2HB LYS 41 -1.095 11.583 6.413 361 HB3 LYS 41 1HB LYS 41 -0.006 12.795 7.058 362 HG2 LYS 41 2HG LYS 41 -2.242 13.107 7.961 363 HG3 LYS 41 1HG LYS 41 -1.805 14.464 6.944 364 HD2 LYS 41 2HD LYS 41 -3.149 13.516 5.111 365 HD3 LYS 41 1HD LYS 41 -3.592 12.161 6.148 366 HE2 LYS 41 2HE LYS 41 -5.375 13.821 6.068 367 HE3 LYS 41 1HE LYS 41 -4.710 13.706 7.692 368 HZ1 LYS 41 1HZ LYS 41 -4.090 15.822 5.694 369 HZ2 LYS 41 2HZ LYS 41 -3.427 15.749 7.244 370 HZ3 LYS 41 3HZ LYS 41 -5.075 15.993 7.043 371 H GLY 42 H GLY 42 0.127 11.080 3.506 372 HA2 GLY 42 2HA GLY 42 1.988 10.436 2.414 373 HA3 GLY 42 1HA GLY 42 2.900 11.668 3.237 374 H ARG 43 H ARG 43 1.028 9.719 5.270 375 HA ARG 43 HA ARG 43 3.276 8.501 6.517 376 HB2 ARG 43 2HB ARG 43 0.348 8.058 6.744 377 HB3 ARG 43 1HB ARG 43 1.510 7.215 7.766 378 HG2 ARG 43 2HG ARG 43 2.278 9.405 8.631 379 HG3 ARG 43 1HG ARG 43 1.052 10.204 7.647 380 HD2 ARG 43 2HD ARG 43 0.339 9.949 9.989 381 HD3 ARG 43 1HD ARG 43 -0.709 9.070 8.887 382 HE ARG 43 HE ARG 43 1.052 7.184 9.625 383 HH11 ARG 43 1HH1 ARG 43 -0.774 9.485 11.622 384 HH12 ARG 43 2HH1 ARG 43 -0.995 8.394 12.913 385 HH21 ARG 43 1HH2 ARG 43 0.731 5.698 11.408 386 HH22 ARG 43 2HH2 ARG 43 -0.125 6.204 12.781 387 H LYS 44 H LYS 44 3.710 6.234 6.688 388 HA LYS 44 HA LYS 44 3.110 4.826 4.203 389 HB2 LYS 44 2HB LYS 44 5.236 4.303 6.297 390 HB3 LYS 44 1HB LYS 44 5.027 3.379 4.816 391 HG2 LYS 44 2HG LYS 44 5.735 6.314 4.964 392 HG3 LYS 44 1HG LYS 44 6.868 5.000 4.648 393 HD2 LYS 44 2HD LYS 44 5.641 4.436 2.605 394 HD3 LYS 44 1HD LYS 44 4.484 5.718 2.935 395 HE2 LYS 44 2HE LYS 44 6.104 6.444 1.278 396 HE3 LYS 44 1HE LYS 44 6.256 7.388 2.750 397 HZ1 LYS 44 1HZ LYS 44 8.051 5.105 2.025 398 HZ2 LYS 44 2HZ LYS 44 8.254 6.148 3.338 399 HZ3 LYS 44 3HZ LYS 44 8.391 6.717 1.774 400 H ILE 45 H ILE 45 1.490 3.473 4.260 401 HA ILE 45 HA ILE 45 0.862 2.058 6.731 402 HB ILE 45 HB ILE 45 -0.881 2.535 4.291 403 HG12 ILE 45 2HG1 ILE 45 -2.359 3.796 6.074 404 HG13 ILE 45 1HG1 ILE 45 -0.898 3.751 7.043 405 HG21 ILE 45 1HG2 ILE 45 -1.566 1.107 6.863 406 HG22 ILE 45 2HG2 ILE 45 -1.397 0.384 5.263 407 HG23 ILE 45 3HG2 ILE 45 -2.717 1.509 5.589 408 HD11 ILE 45 1HD1 ILE 45 -1.226 5.869 5.935 409 HD12 ILE 45 2HD1 ILE 45 -1.121 5.055 4.374 410 HD13 ILE 45 3HD1 ILE 45 0.279 5.077 5.447 411 H CYS 46 H CYS 46 1.649 0.169 6.760 412 HA CYS 46 HA CYS 46 2.608 -1.278 4.473 413 HB2 CYS 46 2HB CYS 46 2.222 -2.187 7.314 414 HB3 CYS 46 1HB CYS 46 3.288 -2.917 6.124 415 H ALA 47 H ALA 47 1.054 -2.196 3.108 416 HA ALA 47 HA ALA 47 -1.177 -3.519 4.464 417 HB1 ALA 47 1HB ALA 47 -1.160 -2.244 1.736 418 HB2 ALA 47 2HB ALA 47 -1.853 -1.534 3.192 419 HB3 ALA 47 3HB ALA 47 -2.536 -3.018 2.525 420 H ASN 48 H ASN 48 -1.828 -5.503 3.769 421 HA ASN 48 HA ASN 48 0.122 -7.094 2.465 422 HB2 ASN 48 2HB ASN 48 -1.025 -8.121 4.220 423 HB3 ASN 48 1HB ASN 48 -2.605 -7.654 3.652 424 HD21 ASN 48 1HD2 ASN 48 0.029 -9.113 1.812 425 HD22 ASN 48 2HD2 ASN 48 -0.862 -10.544 1.417 426 HA PRO 49 HA PRO 49 -1.275 -6.007 -1.681 427 HB2 PRO 49 2HB PRO 49 0.249 -7.965 -2.889 428 HB3 PRO 49 1HB PRO 49 0.774 -6.310 -2.584 429 HG2 PRO 49 2HG PRO 49 1.345 -8.799 -1.071 430 HG3 PRO 49 1HG PRO 49 2.377 -7.380 -1.317 431 HD2 PRO 49 2HD PRO 49 1.145 -7.839 1.016 432 HD3 PRO 49 1HD PRO 49 1.359 -6.200 0.405 433 H ASN 50 H ASN 50 -1.382 -9.142 -0.164 434 HA ASN 50 HA ASN 50 -2.721 -10.404 -2.284 435 HB2 ASN 50 2HB ASN 50 -2.566 -11.263 0.602 436 HB3 ASN 50 1HB ASN 50 -3.039 -12.233 -0.798 437 HD21 ASN 50 1HD2 ASN 50 -0.853 -12.430 1.173 438 HD22 ASN 50 2HD2 ASN 50 0.597 -12.608 0.261 439 H GLU 51 H GLU 51 -3.692 -8.197 0.154 440 HA GLU 51 HA GLU 51 -6.313 -9.274 0.587 441 HB2 GLU 51 2HB GLU 51 -5.314 -6.516 1.269 442 HB3 GLU 51 1HB GLU 51 -6.781 -7.275 1.869 443 HG2 GLU 51 2HG GLU 51 -5.101 -9.065 2.849 444 HG3 GLU 51 1HG GLU 51 -3.965 -7.831 2.434 445 H LYS 52 H LYS 52 -8.124 -8.798 -0.349 446 HA LYS 52 HA LYS 52 -8.211 -7.876 -2.951 447 HB2 LYS 52 2HB LYS 52 -9.903 -9.347 -2.001 448 HB3 LYS 52 1HB LYS 52 -10.459 -8.062 -0.946 449 HG2 LYS 52 2HG LYS 52 -11.165 -6.765 -2.897 450 HG3 LYS 52 1HG LYS 52 -10.601 -8.063 -3.948 451 HD2 LYS 52 2HD LYS 52 -12.207 -9.597 -2.907 452 HD3 LYS 52 1HD LYS 52 -12.771 -8.290 -1.863 453 HE2 LYS 52 2HE LYS 52 -14.257 -8.605 -3.776 454 HE3 LYS 52 1HE LYS 52 -13.485 -7.021 -3.808 455 HZ1 LYS 52 1HZ LYS 52 -13.489 -8.046 -5.977 456 HZ2 LYS 52 2HZ LYS 52 -12.662 -9.386 -5.398 457 HZ3 LYS 52 3HZ LYS 52 -11.901 -7.881 -5.436 458 H TRP 53 H TRP 53 -8.781 -6.054 0.047 459 HA TRP 53 HA TRP 53 -9.844 -3.787 -1.266 460 HB2 TRP 53 2HB TRP 53 -9.605 -2.561 0.787 461 HB3 TRP 53 1HB TRP 53 -10.138 -4.183 1.189 462 HD1 TRP 53 HD TRP 53 -8.301 -5.760 2.501 463 HE1 TRP 53 1HE TRP 53 -6.274 -5.124 3.917 464 HE3 TRP 53 3HE TRP 53 -7.741 -0.903 1.027 465 HZ2 TRP 53 2HZ TRP 53 -4.648 -2.900 4.379 466 HZ3 TRP 53 3HZ TRP 53 -5.920 0.402 2.006 467 HH2 TRP 53 HH TRP 53 -4.399 -0.573 3.653 468 H VAL 54 H VAL 54 -6.641 -4.844 -0.583 469 HA VAL 54 HA VAL 54 -5.325 -2.399 -1.145 470 HB VAL 54 HB VAL 54 -4.277 -5.257 -1.116 471 HG11 VAL 54 1HG1 VAL 54 -2.735 -2.675 -1.066 472 HG12 VAL 54 2HG1 VAL 54 -2.834 -3.755 -2.453 473 HG13 VAL 54 3HG1 VAL 54 -2.049 -4.286 -0.961 474 HG21 VAL 54 1HG2 VAL 54 -4.093 -3.065 0.924 475 HG22 VAL 54 2HG2 VAL 54 -3.387 -4.676 1.059 476 HG23 VAL 54 3HG2 VAL 54 -5.140 -4.480 1.025 477 H GLN 55 H GLN 55 -6.088 -5.328 -2.895 478 HA GLN 55 HA GLN 55 -4.718 -4.670 -5.242 479 HB2 GLN 55 2HB GLN 55 -7.029 -6.543 -4.902 480 HB3 GLN 55 1HB GLN 55 -5.916 -6.498 -6.273 481 HG2 GLN 55 2HG GLN 55 -4.060 -6.825 -4.635 482 HG3 GLN 55 1HG GLN 55 -5.292 -7.151 -3.426 483 HE21 GLN 55 1HE2 GLN 55 -3.240 -8.776 -4.334 484 HE22 GLN 55 2HE2 GLN 55 -3.910 -10.181 -5.040 485 H LYS 56 H LYS 56 -8.057 -4.139 -4.179 486 HA LYS 56 HA LYS 56 -9.135 -3.098 -6.535 487 HB2 LYS 56 2HB LYS 56 -10.465 -3.757 -4.540 488 HB3 LYS 56 1HB LYS 56 -9.749 -2.425 -3.658 489 HG2 LYS 56 2HG LYS 56 -10.733 -0.837 -5.185 490 HG3 LYS 56 1HG LYS 56 -11.463 -2.167 -6.093 491 HD2 LYS 56 2HD LYS 56 -12.750 -2.809 -4.136 492 HD3 LYS 56 1HD LYS 56 -12.008 -1.504 -3.200 493 HE2 LYS 56 2HE LYS 56 -12.976 0.140 -4.737 494 HE3 LYS 56 1HE LYS 56 -13.736 -1.147 -5.662 495 HZ1 LYS 56 1HZ LYS 56 -15.023 -1.719 -3.653 496 HZ2 LYS 56 2HZ LYS 56 -15.290 -0.128 -4.155 497 HZ3 LYS 56 3HZ LYS 56 -14.297 -0.437 -2.839 498 H ALA 57 H ALA 57 -7.450 -1.628 -3.802 499 HA ALA 57 HA ALA 57 -7.645 1.052 -4.663 500 HB1 ALA 57 1HB ALA 57 -5.863 1.500 -3.041 501 HB2 ALA 57 2HB ALA 57 -5.611 -0.227 -2.835 502 HB3 ALA 57 3HB ALA 57 -7.147 0.523 -2.337 503 H MET 58 H MET 58 -5.194 -1.432 -5.147 504 HA MET 58 HA MET 58 -3.161 0.025 -6.207 505 HB2 MET 58 2HB MET 58 -4.048 -2.683 -7.158 506 HB3 MET 58 1HB MET 58 -2.524 -1.937 -7.583 507 HG2 MET 58 2HG MET 58 -1.977 -1.890 -5.187 508 HG3 MET 58 1HG MET 58 -3.450 -2.798 -4.884 509 HE1 MET 58 1HE MET 58 -0.732 -5.643 -4.545 510 HE2 MET 58 2HE MET 58 -2.206 -4.998 -3.855 511 HE3 MET 58 3HE MET 58 -0.769 -3.973 -3.947 512 H LYS 59 H LYS 59 -5.842 -1.451 -7.928 513 HA LYS 59 HA LYS 59 -5.216 -0.709 -10.509 514 HB2 LYS 59 2HB LYS 59 -7.933 -1.029 -9.233 515 HB3 LYS 59 1HB LYS 59 -7.595 -1.070 -10.959 516 HG2 LYS 59 2HG LYS 59 -6.284 -3.081 -10.691 517 HG3 LYS 59 1HG LYS 59 -6.506 -3.014 -8.938 518 HD2 LYS 59 2HD LYS 59 -8.929 -3.259 -9.265 519 HD3 LYS 59 1HD LYS 59 -8.674 -3.358 -11.005 520 HE2 LYS 59 2HE LYS 59 -7.588 -5.272 -8.944 521 HE3 LYS 59 1HE LYS 59 -8.957 -5.581 -10.007 522 HZ1 LYS 59 1HZ LYS 59 -6.930 -6.600 -10.835 523 HZ2 LYS 59 2HZ LYS 59 -6.157 -5.109 -10.905 524 HZ3 LYS 59 3HZ LYS 59 -7.479 -5.432 -11.908 525 H HIS 60 H HIS 60 -7.267 0.919 -8.084 526 HA HIS 60 HA HIS 60 -8.018 3.033 -9.735 527 HB2 HIS 60 2HB HIS 60 -9.268 2.272 -7.777 528 HB3 HIS 60 1HB HIS 60 -7.940 2.758 -6.737 529 HD1 HIS 60 1HD HIS 60 -10.728 4.142 -8.843 530 HD2 HIS 60 2HD HIS 60 -7.895 5.317 -6.091 531 HE1 HIS 60 1HE HIS 60 -11.367 6.478 -8.266 532 HE2 HIS 60 2HE HIS 60 -9.797 7.117 -6.407 533 H LEU 61 H LEU 61 -5.361 2.582 -7.527 534 HA LEU 61 HA LEU 61 -4.398 5.278 -7.633 535 HB2 LEU 61 2HB LEU 61 -3.052 2.710 -6.791 536 HB3 LEU 61 1HB LEU 61 -2.403 4.316 -6.523 537 HG LEU 61 HG LEU 61 -5.012 3.342 -5.355 538 HD11 LEU 61 1HD1 LEU 61 -2.282 3.485 -4.082 539 HD12 LEU 61 2HD1 LEU 61 -3.226 2.019 -4.437 540 HD13 LEU 61 3HD1 LEU 61 -3.796 3.169 -3.237 541 HD21 LEU 61 1HD2 LEU 61 -3.314 5.767 -4.753 542 HD22 LEU 61 2HD2 LEU 61 -4.771 5.291 -3.886 543 HD23 LEU 61 3HD2 LEU 61 -4.874 5.770 -5.577 544 H ASP 62 H ASP 62 -4.031 2.459 -9.590 545 HA ASP 62 HA ASP 62 -1.551 3.121 -10.832 546 HB2 ASP 62 2HB ASP 62 -2.264 0.829 -10.753 547 HB3 ASP 62 1HB ASP 62 -3.751 1.211 -11.605 548 H LYS 63 H LYS 63 -4.905 3.827 -11.595 549 HA LYS 63 HA LYS 63 -3.798 5.407 -13.718 550 HB2 LYS 63 2HB LYS 63 -5.884 5.377 -15.045 551 HB3 LYS 63 1HB LYS 63 -5.171 3.793 -14.850 552 HG2 LYS 63 2HG LYS 63 -7.566 4.827 -13.334 553 HG3 LYS 63 1HG LYS 63 -7.619 3.845 -14.794 554 HD2 LYS 63 2HD LYS 63 -6.263 2.947 -12.258 555 HD3 LYS 63 1HD LYS 63 -7.963 2.664 -12.565 556 HE2 LYS 63 2HE LYS 63 -6.579 0.715 -13.032 557 HE3 LYS 63 1HE LYS 63 -7.418 1.244 -14.476 558 HZ1 LYS 63 1HZ LYS 63 -4.465 1.537 -13.877 559 HZ2 LYS 63 2HZ LYS 63 -5.223 2.211 -15.240 560 HZ3 LYS 63 3HZ LYS 63 -5.215 0.578 -14.977 561 H LYS 64 H LYS 64 -3.326 6.844 -12.255 562 HA LYS 64 HA LYS 64 -5.272 8.836 -11.739 563 HB2 LYS 64 2HB LYS 64 -5.754 7.226 -9.931 564 HB3 LYS 64 1HB LYS 64 -4.078 7.162 -9.480 565 HG2 LYS 64 2HG LYS 64 -5.818 9.630 -9.225 566 HG3 LYS 64 1HG LYS 64 -5.587 8.455 -7.935 567 HD2 LYS 64 2HD LYS 64 -3.434 10.129 -9.235 568 HD3 LYS 64 1HD LYS 64 -4.146 10.404 -7.640 569 HE2 LYS 64 2HE LYS 64 -3.259 8.271 -6.859 570 HE3 LYS 64 1HE LYS 64 -2.624 7.927 -8.463 571 HZ1 LYS 64 1HZ LYS 64 -1.190 9.858 -8.248 572 HZ2 LYS 64 2HZ LYS 64 -0.911 8.735 -7.019 573 HZ3 LYS 64 3HZ LYS 64 -1.779 10.135 -6.694
Contact the webmaster for help, if required. Sunday, June 16, 2024 12:26:33 PM GMT (wattos1)