NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
654312 | 7bwi | 36345 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -3.258 -12.328 1.809 2 H2 GLY 1 H2 GLY 1 -3.726 -12.415 0.241 3 H3 GLY 1 H3 GLY 1 -4.851 -12.374 1.432 4 HA2 GLY 1 HA2 GLY 1 -2.999 -10.179 0.760 5 HA3 GLY 1 HA3 GLY 1 -4.718 -10.233 0.328 6 H THR 2 H THR 2 -3.070 -8.388 2.091 7 HA THR 2 HA THR 2 -4.768 -8.473 4.559 8 HB THR 2 HB THR 2 -1.786 -7.874 4.451 9 HG1 THR 2 HG1 THR 2 -1.603 -9.804 5.592 10 HG21 THR 2 HG21 THR 2 -3.719 -8.087 6.807 11 HG22 THR 2 HG22 THR 2 -1.950 -7.959 6.940 12 HG23 THR 2 HG23 THR 2 -2.874 -6.618 6.262 13 H THR 3 H THR 3 -5.674 -6.511 5.088 14 HA THR 3 HA THR 3 -5.414 -4.322 3.244 15 HB THR 3 HB THR 3 -6.920 -3.276 5.266 16 HG1 THR 3 HG1 THR 3 -6.887 -5.005 6.635 17 HG21 THR 3 HG21 THR 3 -7.616 -3.448 3.009 18 HG22 THR 3 HG22 THR 3 -7.726 -5.227 3.093 19 HG23 THR 3 HG23 THR 3 -8.860 -4.215 4.023 20 H CYS 4 H CYS 4 -5.080 -2.183 3.688 21 HA CYS 4 HA CYS 4 -3.652 -1.443 6.147 22 HB2 CYS 4 HB2 CYS 4 -1.881 -0.323 5.044 23 HB3 CYS 4 HB3 CYS 4 -1.974 -1.924 4.340 24 H TYR 5 H TYR 5 -3.647 0.962 6.535 25 HA TYR 5 HA TYR 5 -5.778 2.435 5.043 26 HB2 TYR 5 HB2 TYR 5 -5.586 2.161 8.065 27 HB3 TYR 5 HB3 TYR 5 -6.622 3.297 7.221 28 HD1 TYR 5 HD1 TYR 5 -6.078 -0.284 8.014 29 HD2 TYR 5 HD2 TYR 5 -8.695 2.609 6.167 30 HE1 TYR 5 HE1 TYR 5 -7.904 -1.977 7.954 31 HE2 TYR 5 HE2 TYR 5 -10.533 0.923 6.144 32 HH TYR 5 HH TYR 5 -10.088 -2.402 7.406 33 H CYS 6 H CYS 6 -5.225 4.460 4.511 34 HA CYS 6 HA CYS 6 -3.570 6.045 6.394 35 HB2 CYS 6 HB2 CYS 6 -2.587 5.057 3.785 36 HB3 CYS 6 HB3 CYS 6 -2.421 6.794 3.978 37 H GLY 7 H GLY 7 -4.282 8.114 6.585 38 HA2 GLY 7 HA2 GLY 7 -5.584 9.989 6.254 39 HA3 GLY 7 HA3 GLY 7 -5.214 9.802 4.536 40 H LYS 8 H LYS 8 -7.084 7.573 6.563 41 HA LYS 8 HA LYS 8 -9.013 6.482 6.260 42 HB2 LYS 8 HB2 LYS 8 -9.776 8.783 6.989 43 HB3 LYS 8 HB3 LYS 8 -10.198 9.105 5.313 44 HG2 LYS 8 HG2 LYS 8 -12.133 8.513 6.681 45 HG3 LYS 8 HG3 LYS 8 -11.919 7.363 5.372 46 HD2 LYS 8 HD2 LYS 8 -10.967 5.707 6.932 47 HD3 LYS 8 HD3 LYS 8 -11.032 6.894 8.257 48 HE2 LYS 8 HE2 LYS 8 -13.503 7.009 8.010 49 HE3 LYS 8 HE3 LYS 8 -13.431 5.844 6.683 50 HZ1 LYS 8 HZ1 LYS 8 -12.533 4.207 8.256 51 HZ2 LYS 8 HZ2 LYS 8 -12.594 5.286 9.483 52 HZ3 LYS 8 HZ3 LYS 8 -13.972 4.759 8.787 53 H THR 9 H THR 9 -7.179 6.711 3.933 54 HA THR 9 HA THR 9 -8.946 5.611 1.799 55 HB THR 9 HB THR 9 -6.054 6.534 1.530 56 HG1 THR 9 HG1 THR 9 -7.496 8.265 1.817 57 HG21 THR 9 HG21 THR 9 -8.143 5.665 -0.519 58 HG22 THR 9 HG22 THR 9 -6.550 6.359 -0.892 59 HG23 THR 9 HG23 THR 9 -6.657 4.787 -0.089 60 H ILE 10 H ILE 10 -9.145 3.532 2.101 61 HA ILE 10 HA ILE 10 -7.196 1.847 3.447 62 HB ILE 10 HB ILE 10 -9.626 1.555 3.656 63 HG12 ILE 10 HG12 ILE 10 -8.260 -0.866 2.403 64 HG13 ILE 10 HG13 ILE 10 -8.203 -0.370 4.099 65 HG21 ILE 10 HG21 ILE 10 -10.167 2.240 1.312 66 HG22 ILE 10 HG22 ILE 10 -9.597 0.652 0.759 67 HG23 ILE 10 HG23 ILE 10 -11.012 0.784 1.834 68 HD11 ILE 10 HD11 ILE 10 -9.804 -2.123 3.967 69 HD12 ILE 10 HD12 ILE 10 -10.744 -0.634 4.150 70 HD13 ILE 10 HD13 ILE 10 -10.602 -1.414 2.556 71 H GLY 11 H GLY 11 -5.914 0.234 2.545 72 HA2 GLY 11 HA2 GLY 11 -5.710 -0.035 -0.408 73 HA3 GLY 11 HA3 GLY 11 -4.291 0.448 0.513 74 H ILE 12 H ILE 12 -3.576 -1.462 -0.620 75 HA ILE 12 HA ILE 12 -3.960 -3.990 0.880 76 HB ILE 12 HB ILE 12 -3.632 -3.362 -1.903 77 HG12 ILE 12 HG12 ILE 12 -5.129 -5.023 -1.107 78 HG13 ILE 12 HG13 ILE 12 -4.009 -5.682 -2.293 79 HG21 ILE 12 HG21 ILE 12 -1.219 -4.879 -0.908 80 HG22 ILE 12 HG22 ILE 12 -1.815 -4.865 -2.564 81 HG23 ILE 12 HG23 ILE 12 -1.308 -3.336 -1.811 82 HD11 ILE 12 HD11 ILE 12 -4.308 -7.358 -0.643 83 HD12 ILE 12 HD12 ILE 12 -2.678 -6.704 -0.390 84 HD13 ILE 12 HD13 ILE 12 -4.026 -6.223 0.674 85 H TYR 13 H TYR 13 -2.274 -4.875 1.961 86 HA TYR 13 HA TYR 13 0.045 -3.088 2.543 87 HB2 TYR 13 HB2 TYR 13 -1.102 -3.914 4.501 88 HB3 TYR 13 HB3 TYR 13 -0.995 -5.569 3.924 89 HD1 TYR 13 HD1 TYR 13 1.338 -2.667 4.585 90 HD2 TYR 13 HD2 TYR 13 0.650 -6.921 4.849 91 HE1 TYR 13 HE1 TYR 13 3.591 -2.977 5.615 92 HE2 TYR 13 HE2 TYR 13 2.879 -7.217 5.896 93 HH TYR 13 HH TYR 13 4.796 -6.193 6.611 94 H TRP 14 H TRP 14 1.993 -3.399 1.756 95 HA TRP 14 HA TRP 14 2.737 -6.034 0.541 96 HB2 TRP 14 HB2 TRP 14 3.571 -3.210 -0.092 97 HB3 TRP 14 HB3 TRP 14 4.534 -4.593 -0.565 98 HD1 TRP 14 HD1 TRP 14 1.270 -2.858 -1.394 99 HE1 TRP 14 HE1 TRP 14 0.230 -3.894 -3.517 100 HE3 TRP 14 HE3 TRP 14 4.510 -6.770 -2.067 101 HZ2 TRP 14 HZ2 TRP 14 0.707 -6.141 -5.219 102 HZ3 TRP 14 HZ3 TRP 14 4.193 -8.345 -3.965 103 HH2 TRP 14 HH2 TRP 14 2.294 -8.051 -5.541 104 H PHE 15 H PHE 15 3.956 -7.247 1.702 105 HA PHE 15 HA PHE 15 5.515 -6.292 4.002 106 HB2 PHE 15 HB2 PHE 15 4.129 -8.323 4.139 107 HB3 PHE 15 HB3 PHE 15 5.035 -9.055 2.825 108 HD1 PHE 15 HD1 PHE 15 7.321 -9.919 3.165 109 HD2 PHE 15 HD2 PHE 15 5.109 -8.120 6.401 110 HE1 PHE 15 HE1 PHE 15 8.996 -10.767 4.790 111 HE2 PHE 15 HE2 PHE 15 6.796 -8.938 8.013 112 HZ PHE 15 HZ PHE 15 8.745 -10.270 7.216 113 H GLY 16 H GLY 16 7.715 -6.250 4.183 114 HA2 GLY 16 HA2 GLY 16 9.945 -6.531 3.709 115 HA3 GLY 16 HA3 GLY 16 9.485 -7.799 2.572 116 H THR 17 H THR 17 8.215 -4.618 1.962 117 HA THR 17 HA THR 17 10.415 -3.806 0.190 118 HB THR 17 HB THR 17 8.703 -5.014 -1.240 119 HG1 THR 17 HG1 THR 17 8.733 -3.349 -2.755 120 HG21 THR 17 HG21 THR 17 6.625 -4.120 -1.743 121 HG22 THR 17 HG22 THR 17 6.681 -4.135 0.033 122 HG23 THR 17 HG23 THR 17 6.939 -2.621 -0.867 123 H LYS 18 H LYS 18 9.931 -1.568 -0.572 124 HA LYS 18 HA LYS 18 8.599 0.143 1.481 125 HB2 LYS 18 HB2 LYS 18 11.109 -0.253 1.878 126 HB3 LYS 18 HB3 LYS 18 11.403 0.671 0.416 127 HG2 LYS 18 HG2 LYS 18 11.669 2.036 2.425 128 HG3 LYS 18 HG3 LYS 18 10.394 2.645 1.380 129 HD2 LYS 18 HD2 LYS 18 9.827 2.792 3.794 130 HD3 LYS 18 HD3 LYS 18 8.662 1.819 2.901 131 HE2 LYS 18 HE2 LYS 18 9.802 -0.262 3.692 132 HE3 LYS 18 HE3 LYS 18 10.980 0.729 4.564 133 HZ1 LYS 18 HZ1 LYS 18 8.058 0.580 5.129 134 HZ2 LYS 18 HZ2 LYS 18 9.260 0.008 6.069 135 HZ3 LYS 18 HZ3 LYS 18 9.090 1.618 5.881 136 H THR 19 H THR 19 8.899 -0.536 -1.672 137 HA THR 19 HA THR 19 7.516 1.985 -2.475 138 HB THR 19 HB THR 19 9.831 1.842 -3.461 139 HG1 THR 19 HG1 THR 19 9.058 2.543 -5.439 140 HG21 THR 19 HG21 THR 19 10.190 0.405 -5.399 141 HG22 THR 19 HG22 THR 19 9.840 -0.614 -3.993 142 HG23 THR 19 HG23 THR 19 8.581 -0.328 -5.215 143 H CYS 20 H CYS 20 5.999 1.693 -4.300 144 HA CYS 20 HA CYS 20 4.558 -0.872 -3.982 145 HB2 CYS 20 HB2 CYS 20 3.654 1.775 -5.139 146 HB3 CYS 20 HB3 CYS 20 2.654 0.326 -5.043 147 HA PRO 21 HA PRO 21 5.873 -2.170 -8.076 148 HB2 PRO 21 HB2 PRO 21 3.966 -4.150 -8.531 149 HB3 PRO 21 HB3 PRO 21 5.427 -4.345 -7.509 150 HG2 PRO 21 HG2 PRO 21 2.606 -3.706 -6.658 151 HG3 PRO 21 HG3 PRO 21 3.750 -4.847 -5.898 152 HD2 PRO 21 HD2 PRO 21 3.293 -2.369 -4.923 153 HD3 PRO 21 HD3 PRO 21 4.914 -3.123 -4.832 154 H SER 22 H SER 22 5.613 -1.085 -9.830 155 HA SER 22 HA SER 22 3.598 0.789 -10.203 156 HB2 SER 22 HB2 SER 22 5.504 -0.281 -12.317 157 HB3 SER 22 HB3 SER 22 4.741 1.317 -12.257 158 HG SER 22 HG SER 22 6.897 1.373 -11.482 159 H ASN 23 H ASN 23 3.774 -2.434 -11.671 160 HA ASN 23 HA ASN 23 1.802 -1.858 -13.738 161 HB2 ASN 23 HB2 ASN 23 3.058 -4.463 -12.780 162 HB3 ASN 23 HB3 ASN 23 2.041 -4.306 -14.207 163 HD21 ASN 23 HD21 ASN 23 5.233 -4.489 -13.338 164 HD22 ASN 23 HD22 ASN 23 5.906 -3.601 -14.696 165 H ARG 24 H ARG 24 1.369 -2.388 -10.463 166 HA ARG 24 HA ARG 24 -1.045 -4.075 -10.585 167 HB2 ARG 24 HB2 ARG 24 0.551 -2.803 -8.371 168 HB3 ARG 24 HB3 ARG 24 -0.909 -3.745 -8.087 169 HG2 ARG 24 HG2 ARG 24 0.965 -5.154 -9.916 170 HG3 ARG 24 HG3 ARG 24 1.709 -4.745 -8.384 171 HD2 ARG 24 HD2 ARG 24 0.764 -6.921 -8.233 172 HD3 ARG 24 HD3 ARG 24 -0.111 -5.820 -7.170 173 HE ARG 24 HE ARG 24 -1.107 -6.921 -9.775 174 HH11 ARG 24 HH11 ARG 24 -1.974 -5.401 -6.678 175 HH12 ARG 24 HH12 ARG 24 -3.656 -5.888 -6.925 176 HH21 ARG 24 HH21 ARG 24 -3.328 -7.375 -9.877 177 HH22 ARG 24 HH22 ARG 24 -4.326 -6.883 -8.507 178 H GLY 25 H GLY 25 -0.579 -0.750 -10.964 179 HA2 GLY 25 HA2 GLY 25 -2.231 0.762 -11.566 180 HA3 GLY 25 HA3 GLY 25 -3.477 -0.353 -11.008 181 H TYR 26 H TYR 26 -0.947 0.488 -8.726 182 HA TYR 26 HA TYR 26 -2.832 1.687 -6.919 183 HB2 TYR 26 HB2 TYR 26 0.202 1.590 -6.834 184 HB3 TYR 26 HB3 TYR 26 -0.832 2.099 -5.498 185 HD1 TYR 26 HD1 TYR 26 1.083 -0.608 -6.543 186 HD2 TYR 26 HD2 TYR 26 -2.905 0.288 -5.117 187 HE1 TYR 26 HE1 TYR 26 0.755 -2.975 -5.874 188 HE2 TYR 26 HE2 TYR 26 -3.209 -2.079 -4.477 189 HH TYR 26 HH TYR 26 -2.320 -4.195 -4.572 190 H THR 27 H THR 27 -3.253 3.745 -6.385 191 HA THR 27 HA THR 27 -2.269 5.889 -8.216 192 HB THR 27 HB THR 27 -4.736 5.301 -8.001 193 HG1 THR 27 HG1 THR 27 -4.131 7.192 -8.954 194 HG21 THR 27 HG21 THR 27 -6.024 6.260 -6.216 195 HG22 THR 27 HG22 THR 27 -4.811 5.203 -5.477 196 HG23 THR 27 HG23 THR 27 -4.586 6.962 -5.450 197 H GLY 28 H GLY 28 -1.892 4.800 -4.985 198 HA2 GLY 28 HA2 GLY 28 0.038 6.830 -4.384 199 HA3 GLY 28 HA3 GLY 28 -1.448 7.129 -3.486 200 H SER 29 H SER 29 0.616 6.746 -1.953 201 HA SER 29 HA SER 29 0.332 4.096 -0.710 202 HB2 SER 29 HB2 SER 29 2.673 3.537 -0.928 203 HB3 SER 29 HB3 SER 29 1.970 3.790 -2.537 204 HG SER 29 HG SER 29 3.996 4.831 -2.361 205 H CYS 30 H CYS 30 1.641 3.847 1.251 206 HA CYS 30 HA CYS 30 3.029 6.153 2.322 207 HB2 CYS 30 HB2 CYS 30 1.752 6.480 4.317 208 HB3 CYS 30 HB3 CYS 30 0.614 6.567 2.971 209 H GLY 31 H GLY 31 4.588 5.608 3.879 210 HA2 GLY 31 HA2 GLY 31 5.431 2.876 4.005 211 HA3 GLY 31 HA3 GLY 31 6.030 4.179 5.029 212 H TYR 32 H TYR 32 5.073 1.265 5.526 213 HA TYR 32 HA TYR 32 3.024 1.803 7.640 214 HB2 TYR 32 HB2 TYR 32 2.361 0.816 5.276 215 HB3 TYR 32 HB3 TYR 32 2.988 -0.682 5.935 216 HD1 TYR 32 HD1 TYR 32 1.462 -2.034 7.233 217 HD2 TYR 32 HD2 TYR 32 0.636 2.159 6.610 218 HE1 TYR 32 HE1 TYR 32 -0.823 -2.343 8.164 219 HE2 TYR 32 HE2 TYR 32 -1.639 1.848 7.568 220 HH TYR 32 HH TYR 32 -2.817 -1.331 8.713 221 H PHE 33 H PHE 33 2.769 -0.168 9.124 222 HA PHE 33 HA PHE 33 5.209 -0.693 10.476 223 HB2 PHE 33 HB2 PHE 33 2.950 -0.850 11.469 224 HB3 PHE 33 HB3 PHE 33 2.628 -2.271 10.466 225 HD1 PHE 33 HD1 PHE 33 5.299 -1.094 12.881 226 HD2 PHE 33 HD2 PHE 33 2.743 -4.321 11.582 227 HE1 PHE 33 HE1 PHE 33 6.218 -2.548 14.672 228 HE2 PHE 33 HE2 PHE 33 3.651 -5.762 13.388 229 HZ PHE 33 HZ PHE 33 5.395 -4.882 14.929 230 H LEU 34 H LEU 34 6.826 -1.983 10.022 231 HA LEU 34 HA LEU 34 8.209 -3.439 9.114 232 HB2 LEU 34 HB2 LEU 34 5.872 -5.339 8.889 233 HB3 LEU 34 HB3 LEU 34 7.573 -5.775 8.912 234 HG LEU 34 HG LEU 34 6.068 -4.500 11.236 235 HD11 LEU 34 HD11 LEU 34 6.994 -7.351 10.758 236 HD12 LEU 34 HD12 LEU 34 6.216 -6.729 12.237 237 HD13 LEU 34 HD13 LEU 34 5.317 -6.758 10.708 238 HD21 LEU 34 HD21 LEU 34 8.456 -3.942 11.344 239 HD22 LEU 34 HD22 LEU 34 8.043 -5.138 12.575 240 HD23 LEU 34 HD23 LEU 34 8.886 -5.651 11.094 241 H GLY 35 H GLY 35 6.069 -2.038 7.111 242 HA2 GLY 35 HA2 GLY 35 7.567 -2.702 4.670 243 HA3 GLY 35 HA3 GLY 35 5.978 -3.448 4.737 244 H ILE 36 H ILE 36 4.755 -2.381 3.309 245 HA ILE 36 HA ILE 36 4.328 0.536 3.606 246 HB ILE 36 HB ILE 36 6.042 0.625 2.054 247 HG12 ILE 36 HG12 ILE 36 3.580 0.583 0.273 248 HG13 ILE 36 HG13 ILE 36 3.891 1.841 1.447 249 HG21 ILE 36 HG21 ILE 36 4.751 -1.465 0.273 250 HG22 ILE 36 HG22 ILE 36 6.324 -0.685 0.064 251 HG23 ILE 36 HG23 ILE 36 6.086 -1.825 1.380 252 HD11 ILE 36 HD11 ILE 36 4.615 2.620 -0.703 253 HD12 ILE 36 HD12 ILE 36 6.036 2.377 0.312 254 HD13 ILE 36 HD13 ILE 36 5.609 1.177 -0.951 255 H CYS 37 H CYS 37 2.426 1.309 2.890 256 HA CYS 37 HA CYS 37 0.231 -0.607 2.251 257 HB2 CYS 37 HB2 CYS 37 -0.014 0.760 4.249 258 HB3 CYS 37 HB3 CYS 37 0.412 2.207 3.356 259 H CYS 38 H CYS 38 -0.579 -0.552 0.198 260 HA CYS 38 HA CYS 38 -0.007 1.760 -1.625 261 HB2 CYS 38 HB2 CYS 38 -0.079 -1.186 -2.303 262 HB3 CYS 38 HB3 CYS 38 0.223 0.119 -3.435 263 H TYR 39 H TYR 39 -1.835 2.525 -2.681 264 HA TYR 39 HA TYR 39 -4.370 1.016 -2.319 265 HB2 TYR 39 HB2 TYR 39 -5.488 3.126 -1.604 266 HB3 TYR 39 HB3 TYR 39 -4.397 2.395 -0.464 267 HD1 TYR 39 HD1 TYR 39 -2.642 3.597 0.532 268 HD2 TYR 39 HD2 TYR 39 -4.735 5.221 -2.877 269 HE1 TYR 39 HE1 TYR 39 -1.616 5.823 0.965 270 HE2 TYR 39 HE2 TYR 39 -3.719 7.454 -2.428 271 HH TYR 39 HH TYR 39 -1.440 8.010 0.278 272 HA PRO 40 HA PRO 40 -6.812 1.802 -2.711 273 HB2 PRO 40 HB2 PRO 40 -8.567 0.667 -4.441 274 HB3 PRO 40 HB3 PRO 40 -8.346 2.438 -4.311 275 HG2 PRO 40 HG2 PRO 40 -7.039 0.548 -6.308 276 HG3 PRO 40 HG3 PRO 40 -7.948 2.058 -6.653 277 HD2 PRO 40 HD2 PRO 40 -5.242 2.058 -6.483 278 HD3 PRO 40 HD3 PRO 40 -6.203 3.411 -5.818 279 H VAL 41 H VAL 41 -7.774 -0.210 -2.008 280 HA VAL 41 HA VAL 41 -6.011 -2.435 -1.847 281 HB VAL 41 HB VAL 41 -7.664 -1.725 -0.139 282 HG11 VAL 41 HG11 VAL 41 -9.792 -3.043 -1.856 283 HG12 VAL 41 HG12 VAL 41 -9.988 -2.349 -0.236 284 HG13 VAL 41 HG13 VAL 41 -9.625 -1.291 -1.605 285 HG21 VAL 41 HG21 VAL 41 -7.943 -4.623 -1.000 286 HG22 VAL 41 HG22 VAL 41 -6.685 -3.927 0.057 287 HG23 VAL 41 HG23 VAL 41 -8.364 -3.956 0.587 288 H ASP 42 H ASP 42 -5.981 -4.433 -2.835 289 HA ASP 42 HA ASP 42 -6.881 -4.599 -5.549 290 HB2 ASP 42 HB2 ASP 42 -4.802 -5.612 -4.670 291 HB3 ASP 42 HB3 ASP 42 -5.758 -6.775 -3.752 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -5.756 -13.378 3.715 2 H2 GLY 1 H2 GLY 1 -4.369 -13.266 2.853 3 H3 GLY 1 H3 GLY 1 -5.755 -13.737 2.115 4 HA2 GLY 1 HA2 GLY 1 -5.249 -11.456 1.536 5 HA3 GLY 1 HA3 GLY 1 -6.762 -11.586 2.450 6 H THR 2 H THR 2 -5.091 -9.243 2.224 7 HA THR 2 HA THR 2 -4.808 -8.585 5.059 8 HB THR 2 HB THR 2 -2.593 -9.540 4.484 9 HG1 THR 2 HG1 THR 2 -1.554 -7.989 5.550 10 HG21 THR 2 HG21 THR 2 -2.270 -7.117 2.661 11 HG22 THR 2 HG22 THR 2 -1.013 -8.286 3.108 12 HG23 THR 2 HG23 THR 2 -2.386 -8.805 2.118 13 H THR 3 H THR 3 -4.270 -6.192 5.325 14 HA THR 3 HA THR 3 -5.258 -4.429 3.178 15 HB THR 3 HB THR 3 -6.801 -3.703 5.408 16 HG1 THR 3 HG1 THR 3 -6.668 -5.703 6.352 17 HG21 THR 3 HG21 THR 3 -7.503 -3.466 3.091 18 HG22 THR 3 HG22 THR 3 -7.590 -5.233 2.898 19 HG23 THR 3 HG23 THR 3 -8.723 -4.397 3.983 20 H CYS 4 H CYS 4 -5.122 -2.169 3.698 21 HA CYS 4 HA CYS 4 -3.689 -1.398 6.161 22 HB2 CYS 4 HB2 CYS 4 -1.928 -0.302 5.055 23 HB3 CYS 4 HB3 CYS 4 -2.005 -1.904 4.356 24 H TYR 5 H TYR 5 -3.742 0.990 6.548 25 HA TYR 5 HA TYR 5 -5.877 2.421 5.016 26 HB2 TYR 5 HB2 TYR 5 -5.700 2.169 8.039 27 HB3 TYR 5 HB3 TYR 5 -6.754 3.279 7.180 28 HD1 TYR 5 HD1 TYR 5 -6.154 -0.283 8.014 29 HD2 TYR 5 HD2 TYR 5 -8.792 2.540 6.089 30 HE1 TYR 5 HE1 TYR 5 -7.955 -2.008 7.942 31 HE2 TYR 5 HE2 TYR 5 -10.597 0.828 6.052 32 HH TYR 5 HH TYR 5 -11.206 -1.317 6.605 33 H CYS 6 H CYS 6 -5.387 4.438 4.477 34 HA CYS 6 HA CYS 6 -3.716 6.115 6.256 35 HB2 CYS 6 HB2 CYS 6 -2.744 4.980 3.694 36 HB3 CYS 6 HB3 CYS 6 -2.554 6.720 3.810 37 H GLY 7 H GLY 7 -4.406 8.201 6.305 38 HA2 GLY 7 HA2 GLY 7 -5.560 10.125 5.770 39 HA3 GLY 7 HA3 GLY 7 -5.068 9.784 4.108 40 H LYS 8 H LYS 8 -7.356 8.036 6.219 41 HA LYS 8 HA LYS 8 -9.440 7.214 5.905 42 HB2 LYS 8 HB2 LYS 8 -9.773 9.780 6.031 43 HB3 LYS 8 HB3 LYS 8 -10.181 9.670 4.317 44 HG2 LYS 8 HG2 LYS 8 -12.039 8.107 4.877 45 HG3 LYS 8 HG3 LYS 8 -11.563 8.149 6.584 46 HD2 LYS 8 HD2 LYS 8 -11.996 10.589 6.650 47 HD3 LYS 8 HD3 LYS 8 -12.488 10.564 4.953 48 HE2 LYS 8 HE2 LYS 8 -13.847 8.980 7.187 49 HE3 LYS 8 HE3 LYS 8 -14.369 10.573 6.645 50 HZ1 LYS 8 HZ1 LYS 8 -14.753 9.639 4.426 51 HZ2 LYS 8 HZ2 LYS 8 -14.297 8.151 4.924 52 HZ3 LYS 8 HZ3 LYS 8 -15.637 8.845 5.543 53 H THR 9 H THR 9 -7.397 6.646 3.849 54 HA THR 9 HA THR 9 -9.146 5.509 1.711 55 HB THR 9 HB THR 9 -6.229 6.339 1.383 56 HG1 THR 9 HG1 THR 9 -7.557 8.154 1.547 57 HG21 THR 9 HG21 THR 9 -6.740 6.036 -1.026 58 HG22 THR 9 HG22 THR 9 -6.908 4.523 -0.127 59 HG23 THR 9 HG23 THR 9 -8.360 5.431 -0.611 60 H ILE 10 H ILE 10 -9.233 3.390 1.842 61 HA ILE 10 HA ILE 10 -7.291 1.792 3.369 62 HB ILE 10 HB ILE 10 -9.686 1.403 3.602 63 HG12 ILE 10 HG12 ILE 10 -8.257 -0.958 2.306 64 HG13 ILE 10 HG13 ILE 10 -8.203 -0.479 4.007 65 HG21 ILE 10 HG21 ILE 10 -11.072 0.576 1.792 66 HG22 ILE 10 HG22 ILE 10 -10.331 2.096 1.310 67 HG23 ILE 10 HG23 ILE 10 -9.675 0.568 0.686 68 HD11 ILE 10 HD11 ILE 10 -10.730 -0.843 4.077 69 HD12 ILE 10 HD12 ILE 10 -10.571 -1.602 2.475 70 HD13 ILE 10 HD13 ILE 10 -9.730 -2.291 3.871 71 H GLY 11 H GLY 11 -5.918 0.273 2.532 72 HA2 GLY 11 HA2 GLY 11 -5.625 -0.022 -0.419 73 HA3 GLY 11 HA3 GLY 11 -4.253 0.447 0.567 74 H ILE 12 H ILE 12 -3.515 -1.463 -0.569 75 HA ILE 12 HA ILE 12 -3.946 -3.979 0.935 76 HB ILE 12 HB ILE 12 -3.640 -3.395 -1.842 77 HG12 ILE 12 HG12 ILE 12 -5.088 -5.064 -0.919 78 HG13 ILE 12 HG13 ILE 12 -4.051 -5.705 -2.186 79 HG21 ILE 12 HG21 ILE 12 -1.183 -4.859 -0.864 80 HG22 ILE 12 HG22 ILE 12 -1.808 -4.870 -2.513 81 HG23 ILE 12 HG23 ILE 12 -1.310 -3.328 -1.777 82 HD11 ILE 12 HD11 ILE 12 -2.600 -6.835 -0.585 83 HD12 ILE 12 HD12 ILE 12 -3.515 -6.156 0.775 84 HD13 ILE 12 HD13 ILE 12 -4.286 -7.314 -0.325 85 H TYR 13 H TYR 13 -2.235 -4.906 2.014 86 HA TYR 13 HA TYR 13 0.075 -3.117 2.602 87 HB2 TYR 13 HB2 TYR 13 -1.063 -3.866 4.566 88 HB3 TYR 13 HB3 TYR 13 -1.045 -5.534 4.021 89 HD1 TYR 13 HD1 TYR 13 1.353 -2.715 4.787 90 HD2 TYR 13 HD2 TYR 13 0.625 -6.970 4.794 91 HE1 TYR 13 HE1 TYR 13 3.569 -3.101 5.877 92 HE2 TYR 13 HE2 TYR 13 2.820 -7.347 5.892 93 HH TYR 13 HH TYR 13 4.677 -6.394 6.761 94 H TRP 14 H TRP 14 2.013 -3.452 1.856 95 HA TRP 14 HA TRP 14 2.834 -6.115 0.748 96 HB2 TRP 14 HB2 TRP 14 3.504 -3.280 -0.059 97 HB3 TRP 14 HB3 TRP 14 4.492 -4.653 -0.532 98 HD1 TRP 14 HD1 TRP 14 1.275 -2.898 -1.351 99 HE1 TRP 14 HE1 TRP 14 0.216 -3.926 -3.473 100 HE3 TRP 14 HE3 TRP 14 4.360 -6.948 -1.929 101 HZ2 TRP 14 HZ2 TRP 14 0.660 -6.184 -5.176 102 HZ3 TRP 14 HZ3 TRP 14 4.027 -8.515 -3.829 103 HH2 TRP 14 HH2 TRP 14 2.182 -8.152 -5.453 104 H PHE 15 H PHE 15 4.551 -7.093 1.653 105 HA PHE 15 HA PHE 15 5.904 -5.789 3.958 106 HB2 PHE 15 HB2 PHE 15 4.815 -7.848 4.475 107 HB3 PHE 15 HB3 PHE 15 5.507 -8.654 3.077 108 HD1 PHE 15 HD1 PHE 15 7.228 -10.166 3.492 109 HD2 PHE 15 HD2 PHE 15 6.782 -6.770 6.114 110 HE1 PHE 15 HE1 PHE 15 9.133 -10.968 4.865 111 HE2 PHE 15 HE2 PHE 15 8.686 -7.570 7.476 112 HZ PHE 15 HZ PHE 15 9.867 -9.673 6.860 113 H GLY 16 H GLY 16 8.064 -5.506 4.125 114 HA2 GLY 16 HA2 GLY 16 10.298 -5.484 3.738 115 HA3 GLY 16 HA3 GLY 16 10.061 -6.925 2.759 116 H THR 17 H THR 17 8.368 -5.274 0.831 117 HA THR 17 HA THR 17 10.436 -4.776 -1.051 118 HB THR 17 HB THR 17 8.232 -5.677 -1.584 119 HG1 THR 17 HG1 THR 17 7.912 -4.476 -3.457 120 HG21 THR 17 HG21 THR 17 6.746 -4.366 -0.179 121 HG22 THR 17 HG22 THR 17 7.169 -2.877 -1.038 122 HG23 THR 17 HG23 THR 17 6.288 -4.162 -1.878 123 H LYS 18 H LYS 18 8.913 -2.556 1.116 124 HA LYS 18 HA LYS 18 9.082 -0.361 1.587 125 HB2 LYS 18 HB2 LYS 18 11.498 -1.131 1.551 126 HB3 LYS 18 HB3 LYS 18 11.651 -0.333 -0.017 127 HG2 LYS 18 HG2 LYS 18 11.101 1.845 1.021 128 HG3 LYS 18 HG3 LYS 18 10.774 1.045 2.560 129 HD2 LYS 18 HD2 LYS 18 12.962 2.079 2.661 130 HD3 LYS 18 HD3 LYS 18 13.127 0.329 2.718 131 HE2 LYS 18 HE2 LYS 18 14.867 1.161 1.312 132 HE3 LYS 18 HE3 LYS 18 13.716 0.324 0.274 133 HZ1 LYS 18 HZ1 LYS 18 14.400 2.465 -0.665 134 HZ2 LYS 18 HZ2 LYS 18 12.803 2.518 -0.341 135 HZ3 LYS 18 HZ3 LYS 18 13.866 3.275 0.643 136 H THR 19 H THR 19 9.018 -1.026 -1.807 137 HA THR 19 HA THR 19 7.662 1.604 -2.270 138 HB THR 19 HB THR 19 9.926 1.414 -3.360 139 HG1 THR 19 HG1 THR 19 9.126 2.328 -5.238 140 HG21 THR 19 HG21 THR 19 10.135 0.136 -5.422 141 HG22 THR 19 HG22 THR 19 9.763 -0.983 -4.100 142 HG23 THR 19 HG23 THR 19 8.489 -0.513 -5.247 143 H CYS 20 H CYS 20 6.079 1.551 -4.103 144 HA CYS 20 HA CYS 20 4.484 -0.933 -3.926 145 HB2 CYS 20 HB2 CYS 20 3.766 1.809 -4.983 146 HB3 CYS 20 HB3 CYS 20 2.680 0.418 -4.980 147 HA PRO 21 HA PRO 21 5.801 -2.128 -8.042 148 HB2 PRO 21 HB2 PRO 21 3.917 -4.084 -8.574 149 HB3 PRO 21 HB3 PRO 21 5.331 -4.298 -7.495 150 HG2 PRO 21 HG2 PRO 21 2.484 -3.647 -6.748 151 HG3 PRO 21 HG3 PRO 21 3.582 -4.818 -5.966 152 HD2 PRO 21 HD2 PRO 21 3.125 -2.335 -4.971 153 HD3 PRO 21 HD3 PRO 21 4.717 -3.138 -4.822 154 H SER 22 H SER 22 5.495 -0.887 -9.782 155 HA SER 22 HA SER 22 3.353 0.934 -9.985 156 HB2 SER 22 HB2 SER 22 5.685 1.245 -10.802 157 HB3 SER 22 HB3 SER 22 5.337 0.148 -12.152 158 HG SER 22 HG SER 22 5.076 2.380 -12.696 159 H ASN 23 H ASN 23 3.800 -2.127 -11.734 160 HA ASN 23 HA ASN 23 1.748 -1.651 -13.700 161 HB2 ASN 23 HB2 ASN 23 3.121 -4.219 -12.791 162 HB3 ASN 23 HB3 ASN 23 2.096 -4.078 -14.214 163 HD21 ASN 23 HD21 ASN 23 5.309 -4.045 -13.284 164 HD22 ASN 23 HD22 ASN 23 5.932 -3.141 -14.655 165 H ARG 24 H ARG 24 1.325 -2.256 -10.435 166 HA ARG 24 HA ARG 24 -1.066 -3.987 -10.611 167 HB2 ARG 24 HB2 ARG 24 0.509 -2.792 -8.345 168 HB3 ARG 24 HB3 ARG 24 -0.960 -3.728 -8.113 169 HG2 ARG 24 HG2 ARG 24 0.857 -5.126 -9.982 170 HG3 ARG 24 HG3 ARG 24 1.682 -4.724 -8.494 171 HD2 ARG 24 HD2 ARG 24 0.731 -6.883 -8.272 172 HD3 ARG 24 HD3 ARG 24 -0.121 -5.771 -7.196 173 HE ARG 24 HE ARG 24 -1.168 -6.893 -9.775 174 HH11 ARG 24 HH11 ARG 24 -1.987 -5.384 -6.657 175 HH12 ARG 24 HH12 ARG 24 -3.673 -5.867 -6.883 176 HH21 ARG 24 HH21 ARG 24 -3.391 -7.342 -9.845 177 HH22 ARG 24 HH22 ARG 24 -4.366 -6.855 -8.457 178 H GLY 25 H GLY 25 -0.604 -0.651 -10.910 179 HA2 GLY 25 HA2 GLY 25 -2.258 0.850 -11.521 180 HA3 GLY 25 HA3 GLY 25 -3.503 -0.277 -10.990 181 H TYR 26 H TYR 26 -1.013 0.563 -8.670 182 HA TYR 26 HA TYR 26 -2.921 1.744 -6.873 183 HB2 TYR 26 HB2 TYR 26 0.114 1.669 -6.764 184 HB3 TYR 26 HB3 TYR 26 -0.935 2.157 -5.434 185 HD1 TYR 26 HD1 TYR 26 0.990 -0.521 -6.544 186 HD2 TYR 26 HD2 TYR 26 -2.973 0.325 -5.038 187 HE1 TYR 26 HE1 TYR 26 0.704 -2.898 -5.872 188 HE2 TYR 26 HE2 TYR 26 -3.236 -2.047 -4.389 189 HH TYR 26 HH TYR 26 -2.324 -4.155 -4.503 190 H THR 27 H THR 27 -3.333 3.823 -6.304 191 HA THR 27 HA THR 27 -2.336 5.985 -8.104 192 HB THR 27 HB THR 27 -4.274 7.263 -7.318 193 HG1 THR 27 HG1 THR 27 -5.807 6.255 -6.041 194 HG21 THR 27 HG21 THR 27 -5.107 4.483 -8.262 195 HG22 THR 27 HG22 THR 27 -6.027 5.993 -8.428 196 HG23 THR 27 HG23 THR 27 -4.507 5.785 -9.313 197 H GLY 28 H GLY 28 -1.959 4.836 -4.881 198 HA2 GLY 28 HA2 GLY 28 0.032 6.833 -4.318 199 HA3 GLY 28 HA3 GLY 28 -1.418 7.128 -3.366 200 H SER 29 H SER 29 0.662 6.721 -1.888 201 HA SER 29 HA SER 29 0.413 4.050 -0.685 202 HB2 SER 29 HB2 SER 29 2.765 3.526 -0.908 203 HB3 SER 29 HB3 SER 29 2.044 3.776 -2.512 204 HG SER 29 HG SER 29 4.062 4.841 -2.342 205 H CYS 30 H CYS 30 1.692 3.785 1.285 206 HA CYS 30 HA CYS 30 3.063 6.073 2.398 207 HB2 CYS 30 HB2 CYS 30 1.721 6.394 4.378 208 HB3 CYS 30 HB3 CYS 30 0.661 6.564 2.977 209 H GLY 31 H GLY 31 4.550 5.525 4.028 210 HA2 GLY 31 HA2 GLY 31 5.388 2.798 4.182 211 HA3 GLY 31 HA3 GLY 31 5.941 4.102 5.234 212 H TYR 32 H TYR 32 4.994 1.172 5.663 213 HA TYR 32 HA TYR 32 2.942 1.669 7.785 214 HB2 TYR 32 HB2 TYR 32 2.449 0.471 5.387 215 HB3 TYR 32 HB3 TYR 32 2.962 -0.925 6.308 216 HD1 TYR 32 HD1 TYR 32 1.226 -2.085 7.481 217 HD2 TYR 32 HD2 TYR 32 0.739 2.102 6.534 218 HE1 TYR 32 HE1 TYR 32 -1.123 -2.168 8.298 219 HE2 TYR 32 HE2 TYR 32 -1.603 2.013 7.359 220 HH TYR 32 HH TYR 32 -3.052 -0.983 8.681 221 H PHE 33 H PHE 33 2.802 -0.348 9.311 222 HA PHE 33 HA PHE 33 5.348 -0.674 10.581 223 HB2 PHE 33 HB2 PHE 33 3.151 -0.875 11.715 224 HB3 PHE 33 HB3 PHE 33 2.865 -2.380 10.831 225 HD1 PHE 33 HD1 PHE 33 5.614 -0.863 12.951 226 HD2 PHE 33 HD2 PHE 33 3.195 -4.332 12.085 227 HE1 PHE 33 HE1 PHE 33 6.772 -2.123 14.749 228 HE2 PHE 33 HE2 PHE 33 4.344 -5.579 13.900 229 HZ PHE 33 HZ PHE 33 6.139 -4.480 15.227 230 H LEU 34 H LEU 34 6.982 -1.945 10.116 231 HA LEU 34 HA LEU 34 8.371 -3.369 9.155 232 HB2 LEU 34 HB2 LEU 34 6.091 -5.351 9.094 233 HB3 LEU 34 HB3 LEU 34 7.807 -5.729 9.032 234 HG LEU 34 HG LEU 34 6.395 -4.451 11.413 235 HD11 LEU 34 HD11 LEU 34 7.374 -7.285 10.940 236 HD12 LEU 34 HD12 LEU 34 6.665 -6.652 12.450 237 HD13 LEU 34 HD13 LEU 34 5.679 -6.741 10.977 238 HD21 LEU 34 HD21 LEU 34 9.230 -5.531 11.130 239 HD22 LEU 34 HD22 LEU 34 8.769 -3.828 11.371 240 HD23 LEU 34 HD23 LEU 34 8.461 -5.009 12.647 241 H GLY 35 H GLY 35 6.090 -2.069 7.265 242 HA2 GLY 35 HA2 GLY 35 7.437 -2.788 4.748 243 HA3 GLY 35 HA3 GLY 35 5.834 -3.490 4.930 244 H ILE 36 H ILE 36 4.686 -2.414 3.432 245 HA ILE 36 HA ILE 36 4.294 0.506 3.681 246 HB ILE 36 HB ILE 36 6.059 0.554 2.178 247 HG12 ILE 36 HG12 ILE 36 3.634 0.518 0.347 248 HG13 ILE 36 HG13 ILE 36 3.936 1.778 1.518 249 HG21 ILE 36 HG21 ILE 36 6.222 -1.850 1.546 250 HG22 ILE 36 HG22 ILE 36 4.787 -1.648 0.516 251 HG23 ILE 36 HG23 ILE 36 6.291 -0.802 0.134 252 HD11 ILE 36 HD11 ILE 36 6.147 2.232 0.398 253 HD12 ILE 36 HD12 ILE 36 5.629 1.095 -0.887 254 HD13 ILE 36 HD13 ILE 36 4.715 2.580 -0.575 255 H CYS 37 H CYS 37 2.406 1.272 2.959 256 HA CYS 37 HA CYS 37 0.215 -0.632 2.284 257 HB2 CYS 37 HB2 CYS 37 -0.047 0.739 4.273 258 HB3 CYS 37 HB3 CYS 37 0.404 2.180 3.385 259 H CYS 38 H CYS 38 -0.554 -0.586 0.222 260 HA CYS 38 HA CYS 38 0.044 1.726 -1.595 261 HB2 CYS 38 HB2 CYS 38 -0.069 -1.219 -2.283 262 HB3 CYS 38 HB3 CYS 38 0.257 0.085 -3.407 263 H TYR 39 H TYR 39 -1.784 2.539 -2.592 264 HA TYR 39 HA TYR 39 -4.331 1.048 -2.228 265 HB2 TYR 39 HB2 TYR 39 -5.419 3.150 -1.464 266 HB3 TYR 39 HB3 TYR 39 -4.311 2.405 -0.351 267 HD1 TYR 39 HD1 TYR 39 -2.528 3.589 0.622 268 HD2 TYR 39 HD2 TYR 39 -4.678 5.258 -2.730 269 HE1 TYR 39 HE1 TYR 39 -1.493 5.806 1.065 270 HE2 TYR 39 HE2 TYR 39 -3.658 7.483 -2.266 271 HH TYR 39 HH TYR 39 -1.325 8.000 0.404 272 HA PRO 40 HA PRO 40 -6.748 1.829 -2.557 273 HB2 PRO 40 HB2 PRO 40 -8.557 0.768 -4.278 274 HB3 PRO 40 HB3 PRO 40 -8.323 2.529 -4.077 275 HG2 PRO 40 HG2 PRO 40 -7.095 0.723 -6.196 276 HG3 PRO 40 HG3 PRO 40 -7.994 2.257 -6.444 277 HD2 PRO 40 HD2 PRO 40 -5.281 2.214 -6.358 278 HD3 PRO 40 HD3 PRO 40 -6.203 3.551 -5.609 279 H VAL 41 H VAL 41 -7.685 -0.189 -1.870 280 HA VAL 41 HA VAL 41 -5.976 -2.426 -1.791 281 HB VAL 41 HB VAL 41 -7.634 -1.719 -0.086 282 HG11 VAL 41 HG11 VAL 41 -9.766 -2.995 -1.827 283 HG12 VAL 41 HG12 VAL 41 -9.962 -2.315 -0.201 284 HG13 VAL 41 HG13 VAL 41 -9.579 -1.249 -1.559 285 HG21 VAL 41 HG21 VAL 41 -6.681 -3.925 0.105 286 HG22 VAL 41 HG22 VAL 41 -8.365 -3.944 0.619 287 HG23 VAL 41 HG23 VAL 41 -7.934 -4.607 -0.968 288 H ASP 42 H ASP 42 -5.976 -4.426 -2.778 289 HA ASP 42 HA ASP 42 -6.846 -4.563 -5.503 290 HB2 ASP 42 HB2 ASP 42 -4.799 -5.622 -4.607 291 HB3 ASP 42 HB3 ASP 42 -5.788 -6.768 -3.702 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -6.695 -12.923 4.704 2 H2 GLY 1 H2 GLY 1 -7.535 -13.114 3.309 3 H3 GLY 1 H3 GLY 1 -7.824 -11.819 4.271 4 HA2 GLY 1 HA2 GLY 1 -5.318 -12.355 2.806 5 HA3 GLY 1 HA3 GLY 1 -6.530 -11.141 2.361 6 H THR 2 H THR 2 -5.288 -9.300 2.612 7 HA THR 2 HA THR 2 -4.760 -8.423 5.366 8 HB THR 2 HB THR 2 -2.638 -9.527 4.617 9 HG1 THR 2 HG1 THR 2 -2.388 -8.052 6.148 10 HG21 THR 2 HG21 THR 2 -2.400 -7.189 2.679 11 HG22 THR 2 HG22 THR 2 -1.164 -8.403 3.050 12 HG23 THR 2 HG23 THR 2 -2.649 -8.887 2.214 13 H THR 3 H THR 3 -4.341 -6.092 5.508 14 HA THR 3 HA THR 3 -5.232 -4.392 3.270 15 HB THR 3 HB THR 3 -6.801 -3.556 5.451 16 HG1 THR 3 HG1 THR 3 -8.083 -5.315 5.936 17 HG21 THR 3 HG21 THR 3 -7.450 -3.366 3.115 18 HG22 THR 3 HG22 THR 3 -7.588 -5.134 2.970 19 HG23 THR 3 HG23 THR 3 -8.714 -4.229 4.005 20 H CYS 4 H CYS 4 -5.074 -2.119 3.735 21 HA CYS 4 HA CYS 4 -3.629 -1.314 6.188 22 HB2 CYS 4 HB2 CYS 4 -1.862 -0.274 5.053 23 HB3 CYS 4 HB3 CYS 4 -1.986 -1.879 4.365 24 H TYR 5 H TYR 5 -3.597 1.110 6.447 25 HA TYR 5 HA TYR 5 -5.752 2.529 4.960 26 HB2 TYR 5 HB2 TYR 5 -5.591 2.294 7.987 27 HB3 TYR 5 HB3 TYR 5 -6.602 3.436 7.128 28 HD1 TYR 5 HD1 TYR 5 -6.115 -0.158 7.923 29 HD2 TYR 5 HD2 TYR 5 -8.695 2.791 6.113 30 HE1 TYR 5 HE1 TYR 5 -7.988 -1.807 7.895 31 HE2 TYR 5 HE2 TYR 5 -10.569 1.155 6.119 32 HH TYR 5 HH TYR 5 -11.250 -0.964 6.676 33 H CYS 6 H CYS 6 -5.249 4.573 4.457 34 HA CYS 6 HA CYS 6 -3.607 6.166 6.345 35 HB2 CYS 6 HB2 CYS 6 -2.659 5.321 3.652 36 HB3 CYS 6 HB3 CYS 6 -2.457 7.028 4.013 37 H GLY 7 H GLY 7 -4.441 8.174 6.613 38 HA2 GLY 7 HA2 GLY 7 -5.783 10.024 6.324 39 HA3 GLY 7 HA3 GLY 7 -5.401 9.895 4.604 40 H LYS 8 H LYS 8 -7.220 7.521 6.503 41 HA LYS 8 HA LYS 8 -9.155 6.437 6.172 42 HB2 LYS 8 HB2 LYS 8 -9.942 8.805 6.844 43 HB3 LYS 8 HB3 LYS 8 -10.492 8.946 5.171 44 HG2 LYS 8 HG2 LYS 8 -11.951 6.951 5.498 45 HG3 LYS 8 HG3 LYS 8 -11.307 6.743 7.135 46 HD2 LYS 8 HD2 LYS 8 -12.252 8.926 7.796 47 HD3 LYS 8 HD3 LYS 8 -12.854 9.179 6.141 48 HE2 LYS 8 HE2 LYS 8 -14.251 7.140 6.334 49 HE3 LYS 8 HE3 LYS 8 -13.645 6.866 7.971 50 HZ1 LYS 8 HZ1 LYS 8 -15.218 9.240 7.117 51 HZ2 LYS 8 HZ2 LYS 8 -15.797 7.993 7.994 52 HZ3 LYS 8 HZ3 LYS 8 -14.664 8.978 8.633 53 H THR 9 H THR 9 -7.258 6.796 3.850 54 HA THR 9 HA THR 9 -8.978 5.635 1.708 55 HB THR 9 HB THR 9 -6.123 6.670 1.491 56 HG1 THR 9 HG1 THR 9 -7.085 8.314 0.316 57 HG21 THR 9 HG21 THR 9 -6.520 6.403 -0.945 58 HG22 THR 9 HG22 THR 9 -6.580 4.851 -0.104 59 HG23 THR 9 HG23 THR 9 -8.091 5.642 -0.606 60 H ILE 10 H ILE 10 -9.152 3.565 2.046 61 HA ILE 10 HA ILE 10 -7.190 1.923 3.422 62 HB ILE 10 HB ILE 10 -9.618 1.599 3.620 63 HG12 ILE 10 HG12 ILE 10 -8.198 -0.811 2.409 64 HG13 ILE 10 HG13 ILE 10 -8.181 -0.297 4.101 65 HG21 ILE 10 HG21 ILE 10 -9.564 0.670 0.732 66 HG22 ILE 10 HG22 ILE 10 -10.984 0.789 1.802 67 HG23 ILE 10 HG23 ILE 10 -10.162 2.253 1.271 68 HD11 ILE 10 HD11 ILE 10 -9.733 -2.093 3.947 69 HD12 ILE 10 HD12 ILE 10 -10.705 -0.623 4.125 70 HD13 ILE 10 HD13 ILE 10 -10.536 -1.398 2.532 71 H GLY 11 H GLY 11 -5.903 0.301 2.549 72 HA2 GLY 11 HA2 GLY 11 -5.652 0.021 -0.399 73 HA3 GLY 11 HA3 GLY 11 -4.249 0.500 0.543 74 H ILE 12 H ILE 12 -3.545 -1.431 -0.587 75 HA ILE 12 HA ILE 12 -3.965 -3.931 0.939 76 HB ILE 12 HB ILE 12 -3.641 -3.355 -1.846 77 HG12 ILE 12 HG12 ILE 12 -5.136 -4.983 -0.937 78 HG13 ILE 12 HG13 ILE 12 -4.091 -5.662 -2.179 79 HG21 ILE 12 HG21 ILE 12 -1.220 -4.855 -0.825 80 HG22 ILE 12 HG22 ILE 12 -1.825 -4.892 -2.475 81 HG23 ILE 12 HG23 ILE 12 -1.312 -3.339 -1.770 82 HD11 ILE 12 HD11 ILE 12 -2.691 -6.794 -0.513 83 HD12 ILE 12 HD12 ILE 12 -3.655 -6.099 0.805 84 HD13 ILE 12 HD13 ILE 12 -4.392 -7.252 -0.319 85 H TYR 13 H TYR 13 -2.260 -4.868 2.011 86 HA TYR 13 HA TYR 13 0.049 -3.091 2.617 87 HB2 TYR 13 HB2 TYR 13 -1.125 -3.880 4.555 88 HB3 TYR 13 HB3 TYR 13 -1.088 -5.537 3.977 89 HD1 TYR 13 HD1 TYR 13 1.372 -2.743 4.664 90 HD2 TYR 13 HD2 TYR 13 0.463 -6.953 4.957 91 HE1 TYR 13 HE1 TYR 13 3.569 -3.142 5.773 92 HE2 TYR 13 HE2 TYR 13 2.652 -7.348 6.067 93 HH TYR 13 HH TYR 13 4.567 -6.425 6.832 94 H TRP 14 H TRP 14 2.000 -3.417 1.840 95 HA TRP 14 HA TRP 14 2.791 -6.081 0.722 96 HB2 TRP 14 HB2 TRP 14 3.575 -3.266 -0.064 97 HB3 TRP 14 HB3 TRP 14 4.514 -4.674 -0.522 98 HD1 TRP 14 HD1 TRP 14 1.293 -2.905 -1.359 99 HE1 TRP 14 HE1 TRP 14 0.206 -4.002 -3.440 100 HE3 TRP 14 HE3 TRP 14 4.377 -6.961 -1.844 101 HZ2 TRP 14 HZ2 TRP 14 0.577 -6.374 -5.010 102 HZ3 TRP 14 HZ3 TRP 14 3.983 -8.634 -3.641 103 HH2 TRP 14 HH2 TRP 14 2.087 -8.361 -5.218 104 H PHE 15 H PHE 15 4.278 -7.159 1.770 105 HA PHE 15 HA PHE 15 5.935 -5.866 3.877 106 HB2 PHE 15 HB2 PHE 15 4.620 -7.750 4.622 107 HB3 PHE 15 HB3 PHE 15 5.191 -8.745 3.293 108 HD1 PHE 15 HD1 PHE 15 6.812 -10.346 3.812 109 HD2 PHE 15 HD2 PHE 15 6.714 -6.685 6.093 110 HE1 PHE 15 HE1 PHE 15 8.696 -11.157 5.211 111 HE2 PHE 15 HE2 PHE 15 8.583 -7.501 7.492 112 HZ PHE 15 HZ PHE 15 9.584 -9.741 7.054 113 H GLY 16 H GLY 16 8.157 -6.035 3.918 114 HA2 GLY 16 HA2 GLY 16 10.315 -6.512 3.254 115 HA3 GLY 16 HA3 GLY 16 9.675 -7.747 2.166 116 H THR 17 H THR 17 8.562 -4.464 1.778 117 HA THR 17 HA THR 17 10.536 -3.741 -0.261 118 HB THR 17 HB THR 17 8.693 -4.924 -1.504 119 HG1 THR 17 HG1 THR 17 8.464 -3.171 -2.966 120 HG21 THR 17 HG21 THR 17 6.558 -4.021 -1.793 121 HG22 THR 17 HG22 THR 17 6.788 -4.126 -0.037 122 HG23 THR 17 HG23 THR 17 6.946 -2.563 -0.875 123 H LYS 18 H LYS 18 10.270 -1.520 -0.883 124 HA LYS 18 HA LYS 18 9.037 0.292 1.182 125 HB2 LYS 18 HB2 LYS 18 11.740 0.584 -0.193 126 HB3 LYS 18 HB3 LYS 18 10.956 1.824 0.793 127 HG2 LYS 18 HG2 LYS 18 10.866 0.154 2.700 128 HG3 LYS 18 HG3 LYS 18 11.868 -0.929 1.729 129 HD2 LYS 18 HD2 LYS 18 12.641 1.878 2.650 130 HD3 LYS 18 HD3 LYS 18 13.174 0.363 3.391 131 HE2 LYS 18 HE2 LYS 18 14.270 -0.296 1.251 132 HE3 LYS 18 HE3 LYS 18 13.771 1.240 0.528 133 HZ1 LYS 18 HZ1 LYS 18 15.572 0.972 2.878 134 HZ2 LYS 18 HZ2 LYS 18 16.045 1.359 1.366 135 HZ3 LYS 18 HZ3 LYS 18 15.107 2.391 2.213 136 H THR 19 H THR 19 8.865 -0.621 -1.933 137 HA THR 19 HA THR 19 7.479 1.889 -2.740 138 HB THR 19 HB THR 19 9.750 1.697 -3.853 139 HG1 THR 19 HG1 THR 19 8.390 3.011 -4.839 140 HG21 THR 19 HG21 THR 19 9.979 0.225 -5.772 141 HG22 THR 19 HG22 THR 19 9.707 -0.762 -4.324 142 HG23 THR 19 HG23 THR 19 8.384 -0.496 -5.482 143 H CYS 20 H CYS 20 5.882 1.552 -4.478 144 HA CYS 20 HA CYS 20 4.439 -1.003 -4.056 145 HB2 CYS 20 HB2 CYS 20 3.517 1.650 -5.190 146 HB3 CYS 20 HB3 CYS 20 2.501 0.218 -5.010 147 HA PRO 21 HA PRO 21 5.674 -2.329 -8.134 148 HB2 PRO 21 HB2 PRO 21 3.819 -4.323 -8.592 149 HB3 PRO 21 HB3 PRO 21 5.236 -4.476 -7.508 150 HG2 PRO 21 HG2 PRO 21 2.381 -3.843 -6.788 151 HG3 PRO 21 HG3 PRO 21 3.496 -4.962 -5.950 152 HD2 PRO 21 HD2 PRO 21 3.058 -2.473 -5.010 153 HD3 PRO 21 HD3 PRO 21 4.670 -3.245 -4.908 154 H SER 22 H SER 22 5.390 -0.828 -9.623 155 HA SER 22 HA SER 22 3.184 0.808 -9.992 156 HB2 SER 22 HB2 SER 22 5.543 1.248 -10.667 157 HB3 SER 22 HB3 SER 22 5.332 0.157 -12.050 158 HG SER 22 HG SER 22 4.993 2.384 -12.581 159 H ASN 23 H ASN 23 3.878 -2.191 -11.742 160 HA ASN 23 HA ASN 23 1.955 -1.880 -13.840 161 HB2 ASN 23 HB2 ASN 23 3.219 -4.380 -12.627 162 HB3 ASN 23 HB3 ASN 23 2.306 -4.345 -14.129 163 HD21 ASN 23 HD21 ASN 23 5.447 -4.119 -12.868 164 HD22 ASN 23 HD22 ASN 23 6.187 -3.397 -14.287 165 H ARG 24 H ARG 24 1.336 -2.417 -10.513 166 HA ARG 24 HA ARG 24 -1.111 -3.999 -10.940 167 HB2 ARG 24 HB2 ARG 24 0.655 -4.297 -9.127 168 HB3 ARG 24 HB3 ARG 24 -0.081 -2.922 -8.311 169 HG2 ARG 24 HG2 ARG 24 -2.055 -4.107 -7.827 170 HG3 ARG 24 HG3 ARG 24 -1.893 -5.166 -9.244 171 HD2 ARG 24 HD2 ARG 24 0.043 -6.272 -8.218 172 HD3 ARG 24 HD3 ARG 24 -0.170 -5.291 -6.754 173 HE ARG 24 HE ARG 24 -2.637 -6.413 -6.970 174 HH11 ARG 24 HH11 ARG 24 0.441 -8.096 -7.252 175 HH12 ARG 24 HH12 ARG 24 -0.273 -9.593 -6.710 176 HH21 ARG 24 HH21 ARG 24 -3.423 -8.204 -6.377 177 HH22 ARG 24 HH22 ARG 24 -2.459 -9.675 -6.194 178 H GLY 25 H GLY 25 -0.436 -0.726 -11.043 179 HA2 GLY 25 HA2 GLY 25 -1.929 0.920 -11.698 180 HA3 GLY 25 HA3 GLY 25 -3.285 -0.146 -11.334 181 H TYR 26 H TYR 26 -0.886 0.552 -8.839 182 HA TYR 26 HA TYR 26 -2.856 1.690 -7.077 183 HB2 TYR 26 HB2 TYR 26 0.177 1.597 -6.902 184 HB3 TYR 26 HB3 TYR 26 -0.882 2.124 -5.595 185 HD1 TYR 26 HD1 TYR 26 1.023 -0.594 -6.621 186 HD2 TYR 26 HD2 TYR 26 -2.962 0.322 -5.207 187 HE1 TYR 26 HE1 TYR 26 0.743 -2.922 -5.806 188 HE2 TYR 26 HE2 TYR 26 -3.234 -2.024 -4.457 189 HH TYR 26 HH TYR 26 -2.306 -4.129 -4.455 190 H THR 27 H THR 27 -3.206 3.773 -6.383 191 HA THR 27 HA THR 27 -2.232 5.961 -8.170 192 HB THR 27 HB THR 27 -4.177 7.218 -7.387 193 HG1 THR 27 HG1 THR 27 -5.703 6.205 -6.108 194 HG21 THR 27 HG21 THR 27 -4.408 5.739 -9.383 195 HG22 THR 27 HG22 THR 27 -5.004 4.436 -8.331 196 HG23 THR 27 HG23 THR 27 -5.928 5.945 -8.496 197 H GLY 28 H GLY 28 -1.844 4.789 -4.952 198 HA2 GLY 28 HA2 GLY 28 0.114 6.808 -4.364 199 HA3 GLY 28 HA3 GLY 28 -1.354 7.095 -3.435 200 H SER 29 H SER 29 0.740 6.717 -1.947 201 HA SER 29 HA SER 29 0.496 4.060 -0.716 202 HB2 SER 29 HB2 SER 29 2.871 3.544 -0.953 203 HB3 SER 29 HB3 SER 29 2.085 3.712 -2.530 204 HG SER 29 HG SER 29 3.796 5.613 -1.264 205 H CYS 30 H CYS 30 1.692 3.809 1.274 206 HA CYS 30 HA CYS 30 3.134 6.079 2.370 207 HB2 CYS 30 HB2 CYS 30 1.767 6.426 4.334 208 HB3 CYS 30 HB3 CYS 30 0.742 6.630 2.910 209 H GLY 31 H GLY 31 4.552 5.529 4.076 210 HA2 GLY 31 HA2 GLY 31 5.372 2.793 4.239 211 HA3 GLY 31 HA3 GLY 31 5.899 4.091 5.311 212 H TYR 32 H TYR 32 4.904 1.158 5.704 213 HA TYR 32 HA TYR 32 2.808 1.697 7.773 214 HB2 TYR 32 HB2 TYR 32 2.198 0.652 5.404 215 HB3 TYR 32 HB3 TYR 32 2.810 -0.823 6.125 216 HD1 TYR 32 HD1 TYR 32 1.186 -2.166 7.274 217 HD2 TYR 32 HD2 TYR 32 0.525 2.083 6.853 218 HE1 TYR 32 HE1 TYR 32 -1.086 -2.410 8.270 219 HE2 TYR 32 HE2 TYR 32 -1.714 1.841 7.899 220 HH TYR 32 HH TYR 32 -3.218 0.405 8.884 221 H PHE 33 H PHE 33 2.527 -0.397 9.206 222 HA PHE 33 HA PHE 33 4.966 -0.789 10.639 223 HB2 PHE 33 HB2 PHE 33 2.702 -1.045 11.598 224 HB3 PHE 33 HB3 PHE 33 2.464 -2.486 10.600 225 HD1 PHE 33 HD1 PHE 33 5.051 -1.161 13.030 226 HD2 PHE 33 HD2 PHE 33 2.674 -4.522 11.730 227 HE1 PHE 33 HE1 PHE 33 6.036 -2.559 14.829 228 HE2 PHE 33 HE2 PHE 33 3.648 -5.908 13.545 229 HZ PHE 33 HZ PHE 33 5.337 -4.932 15.092 230 H LEU 34 H LEU 34 6.642 -2.018 10.232 231 HA LEU 34 HA LEU 34 8.109 -3.396 9.335 232 HB2 LEU 34 HB2 LEU 34 5.867 -5.402 9.065 233 HB3 LEU 34 HB3 LEU 34 7.588 -5.759 9.108 234 HG LEU 34 HG LEU 34 5.990 -4.575 11.415 235 HD11 LEU 34 HD11 LEU 34 5.374 -6.872 10.873 236 HD12 LEU 34 HD12 LEU 34 7.082 -7.368 10.942 237 HD13 LEU 34 HD13 LEU 34 6.251 -6.796 12.414 238 HD21 LEU 34 HD21 LEU 34 8.340 -3.886 11.563 239 HD22 LEU 34 HD22 LEU 34 7.980 -5.115 12.778 240 HD23 LEU 34 HD23 LEU 34 8.869 -5.567 11.304 241 H GLY 35 H GLY 35 5.929 -2.111 7.297 242 HA2 GLY 35 HA2 GLY 35 7.487 -2.714 4.876 243 HA3 GLY 35 HA3 GLY 35 5.909 -3.495 4.920 244 H ILE 36 H ILE 36 4.784 -2.425 3.404 245 HA ILE 36 HA ILE 36 4.299 0.493 3.715 246 HB ILE 36 HB ILE 36 6.058 0.572 2.215 247 HG12 ILE 36 HG12 ILE 36 3.642 0.533 0.367 248 HG13 ILE 36 HG13 ILE 36 3.963 1.806 1.523 249 HG21 ILE 36 HG21 ILE 36 6.385 -0.745 0.238 250 HG22 ILE 36 HG22 ILE 36 6.144 -1.868 1.567 251 HG23 ILE 36 HG23 ILE 36 4.814 -1.550 0.436 252 HD11 ILE 36 HD11 ILE 36 4.760 2.570 -0.587 253 HD12 ILE 36 HD12 ILE 36 6.187 2.204 0.389 254 HD13 ILE 36 HD13 ILE 36 5.643 1.066 -0.884 255 H CYS 37 H CYS 37 2.439 1.282 2.944 256 HA CYS 37 HA CYS 37 0.246 -0.615 2.272 257 HB2 CYS 37 HB2 CYS 37 -0.016 0.781 4.266 258 HB3 CYS 37 HB3 CYS 37 0.430 2.212 3.360 259 H CYS 38 H CYS 38 -0.562 -0.556 0.234 260 HA CYS 38 HA CYS 38 0.059 1.727 -1.611 261 HB2 CYS 38 HB2 CYS 38 -0.083 -1.227 -2.245 262 HB3 CYS 38 HB3 CYS 38 0.228 0.053 -3.406 263 H TYR 39 H TYR 39 -1.752 2.536 -2.639 264 HA TYR 39 HA TYR 39 -4.318 1.077 -2.283 265 HB2 TYR 39 HB2 TYR 39 -5.393 3.229 -1.600 266 HB3 TYR 39 HB3 TYR 39 -4.354 2.452 -0.441 267 HD1 TYR 39 HD1 TYR 39 -2.515 3.553 0.551 268 HD2 TYR 39 HD2 TYR 39 -4.586 5.328 -2.795 269 HE1 TYR 39 HE1 TYR 39 -1.452 5.751 1.057 270 HE2 TYR 39 HE2 TYR 39 -3.545 7.526 -2.270 271 HH TYR 39 HH TYR 39 -2.138 8.687 -0.879 272 HA PRO 40 HA PRO 40 -6.733 1.891 -2.668 273 HB2 PRO 40 HB2 PRO 40 -8.508 0.782 -4.399 274 HB3 PRO 40 HB3 PRO 40 -8.273 2.549 -4.244 275 HG2 PRO 40 HG2 PRO 40 -7.000 0.678 -6.279 276 HG3 PRO 40 HG3 PRO 40 -7.893 2.204 -6.595 277 HD2 PRO 40 HD2 PRO 40 -5.186 2.171 -6.448 278 HD3 PRO 40 HD3 PRO 40 -6.123 3.522 -5.748 279 H VAL 41 H VAL 41 -7.703 -0.114 -1.950 280 HA VAL 41 HA VAL 41 -5.988 -2.351 -1.782 281 HB VAL 41 HB VAL 41 -7.667 -1.621 -0.112 282 HG11 VAL 41 HG11 VAL 41 -9.592 -1.165 -1.615 283 HG12 VAL 41 HG12 VAL 41 -9.779 -2.914 -1.870 284 HG13 VAL 41 HG13 VAL 41 -9.996 -2.216 -0.254 285 HG21 VAL 41 HG21 VAL 41 -6.720 -3.832 0.112 286 HG22 VAL 41 HG22 VAL 41 -8.407 -3.834 0.616 287 HG23 VAL 41 HG23 VAL 41 -7.969 -4.521 -0.960 288 H ASP 42 H ASP 42 -5.974 -4.359 -2.720 289 HA ASP 42 HA ASP 42 -7.526 -4.735 -5.249 290 HB2 ASP 42 HB2 ASP 42 -5.286 -3.904 -5.713 291 HB3 ASP 42 HB3 ASP 42 -4.572 -5.171 -4.722 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -6.434 -12.118 2.857 2 H2 GLY 1 H2 GLY 1 -6.125 -12.190 1.249 3 H3 GLY 1 H3 GLY 1 -6.903 -10.893 1.879 4 HA2 GLY 1 HA2 GLY 1 -4.105 -11.656 2.425 5 HA3 GLY 1 HA3 GLY 1 -4.622 -10.311 1.391 6 H THR 2 H THR 2 -3.377 -8.896 2.759 7 HA THR 2 HA THR 2 -4.624 -8.258 5.420 8 HB THR 2 HB THR 2 -1.738 -7.863 4.563 9 HG1 THR 2 HG1 THR 2 -2.224 -10.017 4.995 10 HG21 THR 2 HG21 THR 2 -1.378 -7.362 6.980 11 HG22 THR 2 HG22 THR 2 -2.395 -6.150 6.198 12 HG23 THR 2 HG23 THR 2 -3.138 -7.389 7.236 13 H THR 3 H THR 3 -5.641 -6.354 5.516 14 HA THR 3 HA THR 3 -5.416 -4.381 3.376 15 HB THR 3 HB THR 3 -7.008 -3.228 5.316 16 HG1 THR 3 HG1 THR 3 -7.915 -5.864 5.286 17 HG21 THR 3 HG21 THR 3 -7.726 -5.114 3.053 18 HG22 THR 3 HG22 THR 3 -8.904 -4.116 3.942 19 HG23 THR 3 HG23 THR 3 -7.598 -3.338 3.028 20 H CYS 4 H CYS 4 -5.134 -2.163 3.741 21 HA CYS 4 HA CYS 4 -3.683 -1.357 6.174 22 HB2 CYS 4 HB2 CYS 4 -1.898 -0.345 5.038 23 HB3 CYS 4 HB3 CYS 4 -2.047 -1.935 4.326 24 H TYR 5 H TYR 5 -3.672 1.046 6.519 25 HA TYR 5 HA TYR 5 -5.809 2.496 5.010 26 HB2 TYR 5 HB2 TYR 5 -5.591 2.296 8.035 27 HB3 TYR 5 HB3 TYR 5 -6.648 3.395 7.166 28 HD1 TYR 5 HD1 TYR 5 -6.037 -0.172 8.013 29 HD2 TYR 5 HD2 TYR 5 -8.741 2.670 6.213 30 HE1 TYR 5 HE1 TYR 5 -7.844 -1.885 8.027 31 HE2 TYR 5 HE2 TYR 5 -10.559 0.964 6.265 32 HH TYR 5 HH TYR 5 -10.039 -2.342 7.554 33 H CYS 6 H CYS 6 -5.272 4.513 4.439 34 HA CYS 6 HA CYS 6 -3.613 6.148 6.276 35 HB2 CYS 6 HB2 CYS 6 -2.665 5.147 3.639 36 HB3 CYS 6 HB3 CYS 6 -2.438 6.868 3.895 37 H GLY 7 H GLY 7 -4.327 8.218 6.410 38 HA2 GLY 7 HA2 GLY 7 -5.535 10.131 5.984 39 HA3 GLY 7 HA3 GLY 7 -5.110 9.868 4.291 40 H LYS 8 H LYS 8 -7.212 7.842 6.321 41 HA LYS 8 HA LYS 8 -9.250 6.914 6.003 42 HB2 LYS 8 HB2 LYS 8 -10.054 9.601 4.854 43 HB3 LYS 8 HB3 LYS 8 -11.151 8.314 5.353 44 HG2 LYS 8 HG2 LYS 8 -10.287 8.450 7.675 45 HG3 LYS 8 HG3 LYS 8 -9.236 9.799 7.196 46 HD2 LYS 8 HD2 LYS 8 -11.217 11.145 6.570 47 HD3 LYS 8 HD3 LYS 8 -12.275 9.778 6.932 48 HE2 LYS 8 HE2 LYS 8 -12.411 11.274 8.781 49 HE3 LYS 8 HE3 LYS 8 -11.541 9.833 9.312 50 HZ1 LYS 8 HZ1 LYS 8 -10.265 12.409 8.539 51 HZ2 LYS 8 HZ2 LYS 8 -10.471 11.888 10.070 52 HZ3 LYS 8 HZ3 LYS 8 -9.460 11.087 9.074 53 H THR 9 H THR 9 -7.244 6.748 3.814 54 HA THR 9 HA THR 9 -9.006 5.594 1.699 55 HB THR 9 HB THR 9 -6.117 6.507 1.389 56 HG1 THR 9 HG1 THR 9 -7.023 8.169 0.194 57 HG21 THR 9 HG21 THR 9 -6.623 6.198 -1.032 58 HG22 THR 9 HG22 THR 9 -6.723 4.675 -0.141 59 HG23 THR 9 HG23 THR 9 -8.212 5.524 -0.612 60 H ILE 10 H ILE 10 -9.202 3.528 2.047 61 HA ILE 10 HA ILE 10 -7.246 1.879 3.437 62 HB ILE 10 HB ILE 10 -9.672 1.605 3.693 63 HG12 ILE 10 HG12 ILE 10 -8.347 -0.866 2.495 64 HG13 ILE 10 HG13 ILE 10 -8.247 -0.314 4.173 65 HG21 ILE 10 HG21 ILE 10 -10.253 2.216 1.341 66 HG22 ILE 10 HG22 ILE 10 -9.688 0.613 0.824 67 HG23 ILE 10 HG23 ILE 10 -11.087 0.775 1.916 68 HD11 ILE 10 HD11 ILE 10 -10.682 -1.397 2.721 69 HD12 ILE 10 HD12 ILE 10 -9.866 -2.048 4.150 70 HD13 ILE 10 HD13 ILE 10 -10.793 -0.547 4.281 71 H GLY 11 H GLY 11 -6.010 0.202 2.561 72 HA2 GLY 11 HA2 GLY 11 -5.828 -0.144 -0.384 73 HA3 GLY 11 HA3 GLY 11 -4.403 0.384 0.506 74 H ILE 12 H ILE 12 -3.623 -1.528 -0.534 75 HA ILE 12 HA ILE 12 -4.023 -4.042 0.986 76 HB ILE 12 HB ILE 12 -3.711 -3.447 -1.798 77 HG12 ILE 12 HG12 ILE 12 -5.190 -5.100 -0.978 78 HG13 ILE 12 HG13 ILE 12 -4.082 -5.771 -2.166 79 HG21 ILE 12 HG21 ILE 12 -1.383 -3.403 -1.718 80 HG22 ILE 12 HG22 ILE 12 -1.280 -4.940 -0.804 81 HG23 ILE 12 HG23 ILE 12 -1.874 -4.947 -2.453 82 HD11 ILE 12 HD11 ILE 12 -3.985 -6.253 0.820 83 HD12 ILE 12 HD12 ILE 12 -4.388 -7.412 -0.445 84 HD13 ILE 12 HD13 ILE 12 -2.729 -6.801 -0.316 85 H TYR 13 H TYR 13 -2.312 -4.962 2.054 86 HA TYR 13 HA TYR 13 0.017 -3.179 2.612 87 HB2 TYR 13 HB2 TYR 13 -1.167 -3.963 4.557 88 HB3 TYR 13 HB3 TYR 13 -1.081 -5.624 3.999 89 HD1 TYR 13 HD1 TYR 13 1.303 -2.774 4.720 90 HD2 TYR 13 HD2 TYR 13 0.486 -7.007 4.989 91 HE1 TYR 13 HE1 TYR 13 3.443 -3.120 5.953 92 HE2 TYR 13 HE2 TYR 13 2.602 -7.339 6.238 93 HH TYR 13 HH TYR 13 4.442 -6.364 7.121 94 H TRP 14 H TRP 14 1.960 -3.513 1.814 95 HA TRP 14 HA TRP 14 2.706 -6.171 0.635 96 HB2 TRP 14 HB2 TRP 14 3.492 -3.352 -0.131 97 HB3 TRP 14 HB3 TRP 14 4.414 -4.756 -0.631 98 HD1 TRP 14 HD1 TRP 14 1.185 -2.959 -1.340 99 HE1 TRP 14 HE1 TRP 14 0.114 -3.908 -3.491 100 HE3 TRP 14 HE3 TRP 14 4.276 -6.975 -2.108 101 HZ2 TRP 14 HZ2 TRP 14 0.535 -6.093 -5.285 102 HZ3 TRP 14 HZ3 TRP 14 3.913 -8.479 -4.054 103 HH2 TRP 14 HH2 TRP 14 2.048 -8.057 -5.641 104 H PHE 15 H PHE 15 4.102 -7.278 1.803 105 HA PHE 15 HA PHE 15 5.889 -5.913 3.753 106 HB2 PHE 15 HB2 PHE 15 4.477 -7.652 4.676 107 HB3 PHE 15 HB3 PHE 15 5.019 -8.800 3.462 108 HD1 PHE 15 HD1 PHE 15 6.608 -10.373 4.156 109 HD2 PHE 15 HD2 PHE 15 6.581 -6.486 6.035 110 HE1 PHE 15 HE1 PHE 15 8.469 -11.071 5.641 111 HE2 PHE 15 HE2 PHE 15 8.437 -7.194 7.518 112 HZ PHE 15 HZ PHE 15 9.388 -9.484 7.323 113 H GLY 16 H GLY 16 8.096 -6.256 3.787 114 HA2 GLY 16 HA2 GLY 16 10.205 -6.885 3.084 115 HA3 GLY 16 HA3 GLY 16 9.472 -8.085 2.018 116 H THR 17 H THR 17 8.514 -4.741 1.648 117 HA THR 17 HA THR 17 10.479 -4.157 -0.445 118 HB THR 17 HB THR 17 8.512 -5.211 -1.610 119 HG1 THR 17 HG1 THR 17 8.390 -3.450 -3.092 120 HG21 THR 17 HG21 THR 17 7.008 -2.689 -0.918 121 HG22 THR 17 HG22 THR 17 6.456 -4.069 -1.875 122 HG23 THR 17 HG23 THR 17 6.710 -4.255 -0.128 123 H LYS 18 H LYS 18 10.388 -1.955 -1.065 124 HA LYS 18 HA LYS 18 9.738 -0.067 1.185 125 HB2 LYS 18 HB2 LYS 18 11.572 1.289 0.308 126 HB3 LYS 18 HB3 LYS 18 12.111 -0.347 0.717 127 HG2 LYS 18 HG2 LYS 18 12.059 -0.945 -1.713 128 HG3 LYS 18 HG3 LYS 18 11.567 0.716 -2.095 129 HD2 LYS 18 HD2 LYS 18 13.672 1.571 -1.115 130 HD3 LYS 18 HD3 LYS 18 14.156 -0.088 -0.697 131 HE2 LYS 18 HE2 LYS 18 14.070 -0.712 -3.106 132 HE3 LYS 18 HE3 LYS 18 13.609 0.947 -3.518 133 HZ1 LYS 18 HZ1 LYS 18 15.750 1.691 -2.613 134 HZ2 LYS 18 HZ2 LYS 18 16.173 0.159 -2.231 135 HZ3 LYS 18 HZ3 LYS 18 15.997 0.593 -3.793 136 H THR 19 H THR 19 9.086 -0.713 -2.074 137 HA THR 19 HA THR 19 7.446 1.770 -2.363 138 HB THR 19 HB THR 19 9.632 1.905 -3.619 139 HG1 THR 19 HG1 THR 19 8.592 2.797 -5.386 140 HG21 THR 19 HG21 THR 19 9.702 -0.454 -4.466 141 HG22 THR 19 HG22 THR 19 8.283 -0.109 -5.482 142 HG23 THR 19 HG23 THR 19 9.816 0.750 -5.761 143 H CYS 20 H CYS 20 5.798 1.606 -4.097 144 HA CYS 20 HA CYS 20 4.436 -1.002 -3.931 145 HB2 CYS 20 HB2 CYS 20 3.520 1.680 -5.015 146 HB3 CYS 20 HB3 CYS 20 2.518 0.230 -4.922 147 HA PRO 21 HA PRO 21 5.712 -2.169 -8.050 148 HB2 PRO 21 HB2 PRO 21 3.791 -4.046 -8.652 149 HB3 PRO 21 HB3 PRO 21 5.144 -4.326 -7.516 150 HG2 PRO 21 HG2 PRO 21 2.298 -3.541 -6.862 151 HG3 PRO 21 HG3 PRO 21 3.295 -4.794 -6.070 152 HD2 PRO 21 HD2 PRO 21 3.001 -2.336 -4.996 153 HD3 PRO 21 HD3 PRO 21 4.553 -3.218 -4.893 154 H SER 22 H SER 22 5.495 -0.635 -9.562 155 HA SER 22 HA SER 22 3.360 1.137 -9.801 156 HB2 SER 22 HB2 SER 22 5.746 1.421 -10.600 157 HB3 SER 22 HB3 SER 22 5.313 0.465 -12.037 158 HG SER 22 HG SER 22 5.118 2.755 -12.351 159 H ASN 23 H ASN 23 3.927 -1.792 -11.721 160 HA ASN 23 HA ASN 23 1.824 -1.260 -13.633 161 HB2 ASN 23 HB2 ASN 23 3.273 -3.877 -13.072 162 HB3 ASN 23 HB3 ASN 23 2.416 -3.431 -14.548 163 HD21 ASN 23 HD21 ASN 23 3.320 -1.190 -15.524 164 HD22 ASN 23 HD22 ASN 23 5.073 -1.148 -15.595 165 H ARG 24 H ARG 24 1.510 -2.151 -10.437 166 HA ARG 24 HA ARG 24 -0.758 -4.001 -10.687 167 HB2 ARG 24 HB2 ARG 24 1.101 -3.754 -8.818 168 HB3 ARG 24 HB3 ARG 24 0.057 -2.474 -8.214 169 HG2 ARG 24 HG2 ARG 24 -0.646 -4.299 -6.979 170 HG3 ARG 24 HG3 ARG 24 -1.821 -4.350 -8.294 171 HD2 ARG 24 HD2 ARG 24 -0.228 -6.026 -9.417 172 HD3 ARG 24 HD3 ARG 24 0.702 -6.014 -7.914 173 HE ARG 24 HE ARG 24 -2.094 -6.512 -7.358 174 HH11 ARG 24 HH11 ARG 24 0.692 -8.281 -8.577 175 HH12 ARG 24 HH12 ARG 24 0.031 -9.800 -8.032 176 HH21 ARG 24 HH21 ARG 24 -2.834 -8.314 -6.758 177 HH22 ARG 24 HH22 ARG 24 -1.978 -9.844 -6.992 178 H GLY 25 H GLY 25 -0.446 -0.624 -10.994 179 HA2 GLY 25 HA2 GLY 25 -2.118 0.813 -11.710 180 HA3 GLY 25 HA3 GLY 25 -3.352 -0.351 -11.241 181 H TYR 26 H TYR 26 -0.991 0.643 -8.818 182 HA TYR 26 HA TYR 26 -3.039 1.722 -7.107 183 HB2 TYR 26 HB2 TYR 26 -0.010 1.782 -6.889 184 HB3 TYR 26 HB3 TYR 26 -1.109 2.298 -5.616 185 HD1 TYR 26 HD1 TYR 26 0.939 -0.347 -6.463 186 HD2 TYR 26 HD2 TYR 26 -3.152 0.411 -5.285 187 HE1 TYR 26 HE1 TYR 26 0.728 -2.669 -5.591 188 HE2 TYR 26 HE2 TYR 26 -3.353 -1.928 -4.489 189 HH TYR 26 HH TYR 26 -2.361 -3.952 -4.360 190 H THR 27 H THR 27 -3.304 3.790 -6.268 191 HA THR 27 HA THR 27 -2.488 6.026 -8.089 192 HB THR 27 HB THR 27 -4.942 5.404 -7.773 193 HG1 THR 27 HG1 THR 27 -5.499 7.561 -7.889 194 HG21 THR 27 HG21 THR 27 -4.871 5.280 -5.236 195 HG22 THR 27 HG22 THR 27 -4.676 7.042 -5.215 196 HG23 THR 27 HG23 THR 27 -6.141 6.315 -5.905 197 H GLY 28 H GLY 28 -2.007 4.787 -4.896 198 HA2 GLY 28 HA2 GLY 28 -0.013 6.766 -4.322 199 HA3 GLY 28 HA3 GLY 28 -1.456 7.071 -3.363 200 H SER 29 H SER 29 0.631 6.654 -1.913 201 HA SER 29 HA SER 29 0.402 3.987 -0.691 202 HB2 SER 29 HB2 SER 29 2.751 3.464 -0.965 203 HB3 SER 29 HB3 SER 29 1.986 3.703 -2.552 204 HG SER 29 HG SER 29 4.009 4.771 -2.437 205 H CYS 30 H CYS 30 1.717 3.727 1.247 206 HA CYS 30 HA CYS 30 3.110 6.015 2.334 207 HB2 CYS 30 HB2 CYS 30 1.791 6.329 4.340 208 HB3 CYS 30 HB3 CYS 30 0.736 6.543 2.940 209 H GLY 31 H GLY 31 4.628 5.457 3.922 210 HA2 GLY 31 HA2 GLY 31 5.377 2.696 4.127 211 HA3 GLY 31 HA3 GLY 31 6.026 4.008 5.107 212 H TYR 32 H TYR 32 4.861 1.135 5.650 213 HA TYR 32 HA TYR 32 2.752 1.864 7.650 214 HB2 TYR 32 HB2 TYR 32 2.343 0.496 5.396 215 HB3 TYR 32 HB3 TYR 32 2.941 -0.843 6.354 216 HD1 TYR 32 HD1 TYR 32 1.220 -2.109 7.432 217 HD2 TYR 32 HD2 TYR 32 0.578 2.085 6.621 218 HE1 TYR 32 HE1 TYR 32 -1.105 -2.294 8.290 219 HE2 TYR 32 HE2 TYR 32 -1.738 1.896 7.500 220 HH TYR 32 HH TYR 32 -3.064 -1.182 8.754 221 H PHE 33 H PHE 33 2.514 -0.403 9.107 222 HA PHE 33 HA PHE 33 4.912 -0.558 10.747 223 HB2 PHE 33 HB2 PHE 33 2.670 -1.011 11.645 224 HB3 PHE 33 HB3 PHE 33 2.524 -2.402 10.560 225 HD1 PHE 33 HD1 PHE 33 4.939 -1.059 13.145 226 HD2 PHE 33 HD2 PHE 33 2.930 -4.508 11.504 227 HE1 PHE 33 HE1 PHE 33 6.014 -2.503 14.856 228 HE2 PHE 33 HE2 PHE 33 3.991 -5.943 13.230 229 HZ PHE 33 HZ PHE 33 5.541 -4.946 14.902 230 H LEU 34 H LEU 34 6.678 -1.549 10.272 231 HA LEU 34 HA LEU 34 8.289 -2.727 9.381 232 HB2 LEU 34 HB2 LEU 34 6.309 -4.960 8.902 233 HB3 LEU 34 HB3 LEU 34 8.061 -5.102 8.964 234 HG LEU 34 HG LEU 34 6.273 -4.287 11.299 235 HD11 LEU 34 HD11 LEU 34 6.805 -6.486 12.208 236 HD12 LEU 34 HD12 LEU 34 5.983 -6.624 10.647 237 HD13 LEU 34 HD13 LEU 34 7.743 -6.887 10.746 238 HD21 LEU 34 HD21 LEU 34 8.287 -4.639 12.692 239 HD22 LEU 34 HD22 LEU 34 9.262 -4.868 11.220 240 HD23 LEU 34 HD23 LEU 34 8.495 -3.298 11.565 241 H GLY 35 H GLY 35 5.565 -3.446 7.172 242 HA2 GLY 35 HA2 GLY 35 7.291 -3.074 4.771 243 HA3 GLY 35 HA3 GLY 35 5.678 -3.765 4.838 244 H ILE 36 H ILE 36 4.826 -2.557 3.243 245 HA ILE 36 HA ILE 36 4.331 0.353 3.719 246 HB ILE 36 HB ILE 36 6.064 0.468 2.181 247 HG12 ILE 36 HG12 ILE 36 3.626 0.421 0.348 248 HG13 ILE 36 HG13 ILE 36 3.931 1.696 1.507 249 HG21 ILE 36 HG21 ILE 36 4.806 -1.711 0.490 250 HG22 ILE 36 HG22 ILE 36 6.318 -0.841 0.155 251 HG23 ILE 36 HG23 ILE 36 6.227 -1.918 1.537 252 HD11 ILE 36 HD11 ILE 36 5.587 0.982 -0.912 253 HD12 ILE 36 HD12 ILE 36 4.695 2.477 -0.593 254 HD13 ILE 36 HD13 ILE 36 6.146 2.118 0.357 255 H CYS 37 H CYS 37 2.445 1.190 2.944 256 HA CYS 37 HA CYS 37 0.232 -0.697 2.293 257 HB2 CYS 37 HB2 CYS 37 -0.031 0.661 4.284 258 HB3 CYS 37 HB3 CYS 37 0.450 2.104 3.419 259 H CYS 38 H CYS 38 -0.664 -0.600 0.290 260 HA CYS 38 HA CYS 38 -0.049 1.670 -1.568 261 HB2 CYS 38 HB2 CYS 38 -0.195 -1.281 -2.229 262 HB3 CYS 38 HB3 CYS 38 0.137 0.020 -3.362 263 H TYR 39 H TYR 39 -1.855 2.476 -2.592 264 HA TYR 39 HA TYR 39 -4.421 1.006 -2.266 265 HB2 TYR 39 HB2 TYR 39 -5.504 3.108 -1.498 266 HB3 TYR 39 HB3 TYR 39 -4.420 2.342 -0.375 267 HD1 TYR 39 HD1 TYR 39 -2.606 3.478 0.610 268 HD2 TYR 39 HD2 TYR 39 -4.741 5.235 -2.704 269 HE1 TYR 39 HE1 TYR 39 -1.523 5.669 1.078 270 HE2 TYR 39 HE2 TYR 39 -3.671 7.433 -2.219 271 HH TYR 39 HH TYR 39 -1.314 7.870 0.441 272 HA PRO 40 HA PRO 40 -6.850 1.785 -2.620 273 HB2 PRO 40 HB2 PRO 40 -8.613 0.725 -4.386 274 HB3 PRO 40 HB3 PRO 40 -8.401 2.491 -4.177 275 HG2 PRO 40 HG2 PRO 40 -7.100 0.698 -6.267 276 HG3 PRO 40 HG3 PRO 40 -8.018 2.218 -6.538 277 HD2 PRO 40 HD2 PRO 40 -5.312 2.224 -6.389 278 HD3 PRO 40 HD3 PRO 40 -6.275 3.539 -5.654 279 H VAL 41 H VAL 41 -7.816 -0.285 -2.031 280 HA VAL 41 HA VAL 41 -6.016 -2.432 -1.857 281 HB VAL 41 HB VAL 41 -7.869 -1.820 -0.300 282 HG11 VAL 41 HG11 VAL 41 -9.709 -1.556 -1.961 283 HG12 VAL 41 HG12 VAL 41 -9.716 -3.319 -2.193 284 HG13 VAL 41 HG13 VAL 41 -10.120 -2.624 -0.612 285 HG21 VAL 41 HG21 VAL 41 -7.825 -4.737 -1.136 286 HG22 VAL 41 HG22 VAL 41 -6.750 -3.921 0.034 287 HG23 VAL 41 HG23 VAL 41 -8.465 -4.092 0.387 288 H ASP 42 H ASP 42 -5.907 -4.473 -2.775 289 HA ASP 42 HA ASP 42 -7.087 -4.783 -5.505 290 HB2 ASP 42 HB2 ASP 42 -4.782 -4.011 -5.601 291 HB3 ASP 42 HB3 ASP 42 -4.260 -5.311 -4.536 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -6.915 -9.271 -0.125 2 H2 GLY 1 H2 GLY 1 -7.227 -10.542 0.857 3 H3 GLY 1 H3 GLY 1 -6.531 -10.792 -0.605 4 HA2 GLY 1 HA2 GLY 1 -4.879 -11.001 1.127 5 HA3 GLY 1 HA3 GLY 1 -4.538 -9.625 0.065 6 H THR 2 H THR 2 -3.320 -9.508 2.416 7 HA THR 2 HA THR 2 -4.749 -8.487 4.647 8 HB THR 2 HB THR 2 -1.831 -8.023 3.924 9 HG1 THR 2 HG1 THR 2 -1.505 -9.921 5.103 10 HG21 THR 2 HG21 THR 2 -2.534 -6.660 5.858 11 HG22 THR 2 HG22 THR 2 -3.272 -8.089 6.619 12 HG23 THR 2 HG23 THR 2 -1.511 -7.995 6.394 13 H THR 3 H THR 3 -5.752 -6.565 4.934 14 HA THR 3 HA THR 3 -5.441 -4.383 3.087 15 HB THR 3 HB THR 3 -6.988 -3.357 5.099 16 HG1 THR 3 HG1 THR 3 -8.288 -5.041 5.851 17 HG21 THR 3 HG21 THR 3 -7.629 -3.471 2.815 18 HG22 THR 3 HG22 THR 3 -7.764 -5.249 2.860 19 HG23 THR 3 HG23 THR 3 -8.909 -4.237 3.777 20 H CYS 4 H CYS 4 -5.159 -2.224 3.610 21 HA CYS 4 HA CYS 4 -3.747 -1.551 6.096 22 HB2 CYS 4 HB2 CYS 4 -1.965 -0.404 5.041 23 HB3 CYS 4 HB3 CYS 4 -2.056 -1.981 4.278 24 H TYR 5 H TYR 5 -3.727 0.854 6.507 25 HA TYR 5 HA TYR 5 -5.876 2.349 5.086 26 HB2 TYR 5 HB2 TYR 5 -5.716 2.002 8.104 27 HB3 TYR 5 HB3 TYR 5 -6.766 3.125 7.259 28 HD1 TYR 5 HD1 TYR 5 -6.150 -0.467 7.986 29 HD2 TYR 5 HD2 TYR 5 -8.807 2.417 6.181 30 HE1 TYR 5 HE1 TYR 5 -7.934 -2.199 7.848 31 HE2 TYR 5 HE2 TYR 5 -10.605 0.693 6.086 32 HH TYR 5 HH TYR 5 -10.103 -2.657 7.255 33 H CYS 6 H CYS 6 -5.327 4.390 4.644 34 HA CYS 6 HA CYS 6 -3.653 5.925 6.540 35 HB2 CYS 6 HB2 CYS 6 -2.617 4.838 4.008 36 HB3 CYS 6 HB3 CYS 6 -2.464 6.584 4.082 37 H GLY 7 H GLY 7 -4.291 8.024 6.676 38 HA2 GLY 7 HA2 GLY 7 -5.400 9.995 6.218 39 HA3 GLY 7 HA3 GLY 7 -4.832 9.744 4.565 40 H LYS 8 H LYS 8 -7.284 7.989 6.492 41 HA LYS 8 HA LYS 8 -9.383 7.264 6.054 42 HB2 LYS 8 HB2 LYS 8 -9.609 9.849 6.186 43 HB3 LYS 8 HB3 LYS 8 -9.930 9.759 4.453 44 HG2 LYS 8 HG2 LYS 8 -11.875 8.239 4.936 45 HG3 LYS 8 HG3 LYS 8 -11.498 8.342 6.665 46 HD2 LYS 8 HD2 LYS 8 -11.882 10.789 6.606 47 HD3 LYS 8 HD3 LYS 8 -12.218 10.700 4.863 48 HE2 LYS 8 HE2 LYS 8 -14.131 9.177 5.315 49 HE3 LYS 8 HE3 LYS 8 -13.803 9.279 7.050 50 HZ1 LYS 8 HZ1 LYS 8 -14.557 11.578 5.322 51 HZ2 LYS 8 HZ2 LYS 8 -15.546 10.835 6.384 52 HZ3 LYS 8 HZ3 LYS 8 -14.256 11.672 6.926 53 H THR 9 H THR 9 -7.244 6.653 4.073 54 HA THR 9 HA THR 9 -8.942 5.635 1.838 55 HB THR 9 HB THR 9 -6.016 6.456 1.611 56 HG1 THR 9 HG1 THR 9 -7.309 8.276 1.834 57 HG21 THR 9 HG21 THR 9 -8.115 5.641 -0.450 58 HG22 THR 9 HG22 THR 9 -6.503 6.290 -0.821 59 HG23 THR 9 HG23 THR 9 -6.652 4.731 -0.002 60 H ILE 10 H ILE 10 -9.171 3.554 2.092 61 HA ILE 10 HA ILE 10 -7.268 1.812 3.454 62 HB ILE 10 HB ILE 10 -9.707 1.526 3.594 63 HG12 ILE 10 HG12 ILE 10 -8.325 -0.863 2.295 64 HG13 ILE 10 HG13 ILE 10 -8.291 -0.418 4.006 65 HG21 ILE 10 HG21 ILE 10 -9.600 0.708 0.671 66 HG22 ILE 10 HG22 ILE 10 -11.044 0.812 1.711 67 HG23 ILE 10 HG23 ILE 10 -10.185 2.281 1.254 68 HD11 ILE 10 HD11 ILE 10 -9.896 -2.158 3.792 69 HD12 ILE 10 HD12 ILE 10 -10.830 -0.671 4.016 70 HD13 ILE 10 HD13 ILE 10 -10.674 -1.396 2.398 71 H GLY 11 H GLY 11 -6.006 0.180 2.507 72 HA2 GLY 11 HA2 GLY 11 -5.788 -0.020 -0.445 73 HA3 GLY 11 HA3 GLY 11 -4.363 0.475 0.467 74 H ILE 12 H ILE 12 -3.573 -1.408 -0.633 75 HA ILE 12 HA ILE 12 -3.969 -3.974 0.804 76 HB ILE 12 HB ILE 12 -3.554 -3.269 -1.958 77 HG12 ILE 12 HG12 ILE 12 -5.102 -4.922 -1.237 78 HG13 ILE 12 HG13 ILE 12 -3.966 -5.567 -2.416 79 HG21 ILE 12 HG21 ILE 12 -1.241 -3.285 -1.808 80 HG22 ILE 12 HG22 ILE 12 -1.193 -4.830 -0.904 81 HG23 ILE 12 HG23 ILE 12 -1.735 -4.814 -2.571 82 HD11 ILE 12 HD11 ILE 12 -4.314 -7.287 -0.834 83 HD12 ILE 12 HD12 ILE 12 -2.698 -6.647 -0.483 84 HD13 ILE 12 HD13 ILE 12 -4.094 -6.195 0.531 85 H TYR 13 H TYR 13 -2.278 -4.907 1.873 86 HA TYR 13 HA TYR 13 0.025 -3.125 2.538 87 HB2 TYR 13 HB2 TYR 13 -1.155 -3.981 4.452 88 HB3 TYR 13 HB3 TYR 13 -1.058 -5.624 3.840 89 HD1 TYR 13 HD1 TYR 13 1.342 -2.789 4.571 90 HD2 TYR 13 HD2 TYR 13 0.495 -7.014 4.836 91 HE1 TYR 13 HE1 TYR 13 3.540 -3.167 5.697 92 HE2 TYR 13 HE2 TYR 13 2.667 -7.380 5.978 93 HH TYR 13 HH TYR 13 4.564 -6.434 6.767 94 H TRP 14 H TRP 14 2.000 -3.424 1.814 95 HA TRP 14 HA TRP 14 2.825 -6.047 0.619 96 HB2 TRP 14 HB2 TRP 14 3.584 -3.202 -0.049 97 HB3 TRP 14 HB3 TRP 14 4.577 -4.566 -0.517 98 HD1 TRP 14 HD1 TRP 14 1.323 -2.843 -1.369 99 HE1 TRP 14 HE1 TRP 14 0.318 -3.850 -3.527 100 HE3 TRP 14 HE3 TRP 14 4.548 -6.770 -2.027 101 HZ2 TRP 14 HZ2 TRP 14 0.863 -6.029 -5.299 102 HZ3 TRP 14 HZ3 TRP 14 4.281 -8.298 -3.971 103 HH2 TRP 14 HH2 TRP 14 2.442 -7.946 -5.605 104 H PHE 15 H PHE 15 4.296 -7.147 1.682 105 HA PHE 15 HA PHE 15 5.875 -5.896 3.872 106 HB2 PHE 15 HB2 PHE 15 4.563 -7.808 4.527 107 HB3 PHE 15 HB3 PHE 15 5.162 -8.758 3.179 108 HD1 PHE 15 HD1 PHE 15 6.682 -10.430 3.749 109 HD2 PHE 15 HD2 PHE 15 6.699 -6.761 6.024 110 HE1 PHE 15 HE1 PHE 15 8.519 -11.308 5.167 111 HE2 PHE 15 HE2 PHE 15 8.530 -7.644 7.434 112 HZ PHE 15 HZ PHE 15 9.448 -9.919 7.009 113 H GLY 16 H GLY 16 8.095 -6.001 3.964 114 HA2 GLY 16 HA2 GLY 16 10.280 -6.414 3.357 115 HA3 GLY 16 HA3 GLY 16 9.701 -7.668 2.257 116 H THR 17 H THR 17 8.535 -4.399 1.829 117 HA THR 17 HA THR 17 10.559 -3.659 -0.153 118 HB THR 17 HB THR 17 8.709 -4.880 -1.416 119 HG1 THR 17 HG1 THR 17 9.774 -3.585 -2.695 120 HG21 THR 17 HG21 THR 17 7.043 -2.437 -0.892 121 HG22 THR 17 HG22 THR 17 6.629 -3.883 -1.816 122 HG23 THR 17 HG23 THR 17 6.793 -3.984 -0.049 123 H LYS 18 H LYS 18 10.234 -1.437 -0.826 124 HA LYS 18 HA LYS 18 9.086 0.348 1.303 125 HB2 LYS 18 HB2 LYS 18 11.617 -0.002 1.241 126 HB3 LYS 18 HB3 LYS 18 11.624 0.903 -0.276 127 HG2 LYS 18 HG2 LYS 18 10.724 2.883 0.867 128 HG3 LYS 18 HG3 LYS 18 10.458 1.948 2.345 129 HD2 LYS 18 HD2 LYS 18 12.409 3.329 2.628 130 HD3 LYS 18 HD3 LYS 18 12.917 1.635 2.578 131 HE2 LYS 18 HE2 LYS 18 13.590 1.905 0.202 132 HE3 LYS 18 HE3 LYS 18 13.021 3.580 0.223 133 HZ1 LYS 18 HZ1 LYS 18 15.420 3.455 0.577 134 HZ2 LYS 18 HZ2 LYS 18 14.710 4.062 1.914 135 HZ3 LYS 18 HZ3 LYS 18 15.236 2.513 1.897 136 H THR 19 H THR 19 8.868 -0.473 -1.897 137 HA THR 19 HA THR 19 7.476 2.072 -2.612 138 HB THR 19 HB THR 19 9.699 1.870 -3.756 139 HG1 THR 19 HG1 THR 19 8.815 2.530 -5.696 140 HG21 THR 19 HG21 THR 19 9.925 0.385 -5.670 141 HG22 THR 19 HG22 THR 19 9.656 -0.597 -4.221 142 HG23 THR 19 HG23 THR 19 8.327 -0.332 -5.371 143 H CYS 20 H CYS 20 5.882 1.778 -4.404 144 HA CYS 20 HA CYS 20 4.366 -0.747 -3.980 145 HB2 CYS 20 HB2 CYS 20 3.489 1.970 -4.979 146 HB3 CYS 20 HB3 CYS 20 2.448 0.547 -4.908 147 HA PRO 21 HA PRO 21 5.604 -1.833 -8.145 148 HB2 PRO 21 HB2 PRO 21 4.110 -4.100 -8.522 149 HB3 PRO 21 HB3 PRO 21 5.527 -4.034 -7.425 150 HG2 PRO 21 HG2 PRO 21 2.597 -3.769 -6.715 151 HG3 PRO 21 HG3 PRO 21 3.830 -4.765 -5.897 152 HD2 PRO 21 HD2 PRO 21 3.133 -2.347 -4.924 153 HD3 PRO 21 HD3 PRO 21 4.823 -2.934 -4.848 154 H SER 22 H SER 22 5.072 -0.608 -9.727 155 HA SER 22 HA SER 22 2.715 0.706 -10.253 156 HB2 SER 22 HB2 SER 22 4.737 -0.221 -12.335 157 HB3 SER 22 HB3 SER 22 3.681 1.198 -12.411 158 HG SER 22 HG SER 22 5.806 1.762 -11.760 159 H ASN 23 H ASN 23 3.545 -2.555 -11.278 160 HA ASN 23 HA ASN 23 1.610 -2.784 -13.389 161 HB2 ASN 23 HB2 ASN 23 3.007 -4.997 -11.828 162 HB3 ASN 23 HB3 ASN 23 2.291 -5.112 -13.437 163 HD21 ASN 23 HD21 ASN 23 3.286 -3.420 -15.089 164 HD22 ASN 23 HD22 ASN 23 5.034 -3.289 -14.989 165 H ARG 24 H ARG 24 1.047 -2.738 -10.041 166 HA ARG 24 HA ARG 24 -1.565 -4.201 -10.301 167 HB2 ARG 24 HB2 ARG 24 0.173 -3.356 -7.995 168 HB3 ARG 24 HB3 ARG 24 -1.564 -3.443 -7.753 169 HG2 ARG 24 HG2 ARG 24 -0.666 -5.471 -7.008 170 HG3 ARG 24 HG3 ARG 24 -1.582 -5.817 -8.462 171 HD2 ARG 24 HD2 ARG 24 1.448 -5.470 -8.467 172 HD3 ARG 24 HD3 ARG 24 0.657 -7.009 -8.095 173 HE ARG 24 HE ARG 24 -0.225 -5.803 -10.612 174 HH11 ARG 24 HH11 ARG 24 2.146 -8.008 -9.267 175 HH12 ARG 24 HH12 ARG 24 2.431 -8.765 -10.811 176 HH21 ARG 24 HH21 ARG 24 0.200 -6.762 -12.511 177 HH22 ARG 24 HH22 ARG 24 1.325 -8.092 -12.606 178 H GLY 25 H GLY 25 -0.425 -1.081 -10.814 179 HA2 GLY 25 HA2 GLY 25 -1.667 0.676 -11.624 180 HA3 GLY 25 HA3 GLY 25 -3.154 -0.208 -11.280 181 H TYR 26 H TYR 26 -0.762 0.506 -8.766 182 HA TYR 26 HA TYR 26 -2.690 1.810 -7.093 183 HB2 TYR 26 HB2 TYR 26 0.337 1.688 -6.921 184 HB3 TYR 26 HB3 TYR 26 -0.718 2.240 -5.616 185 HD1 TYR 26 HD1 TYR 26 1.224 -0.464 -6.524 186 HD2 TYR 26 HD2 TYR 26 -2.834 0.407 -5.294 187 HE1 TYR 26 HE1 TYR 26 0.941 -2.789 -5.719 188 HE2 TYR 26 HE2 TYR 26 -3.115 -1.952 -4.578 189 HH TYR 26 HH TYR 26 -2.173 -4.045 -4.567 190 H THR 27 H THR 27 -2.860 3.912 -6.381 191 HA THR 27 HA THR 27 -1.706 6.033 -8.165 192 HB THR 27 HB THR 27 -4.176 5.525 -8.356 193 HG1 THR 27 HG1 THR 27 -3.306 8.129 -7.661 194 HG21 THR 27 HG21 THR 27 -4.409 7.121 -5.770 195 HG22 THR 27 HG22 THR 27 -5.714 6.464 -6.778 196 HG23 THR 27 HG23 THR 27 -4.651 5.368 -5.880 197 H GLY 28 H GLY 28 -1.679 4.885 -4.962 198 HA2 GLY 28 HA2 GLY 28 0.060 7.013 -4.118 199 HA3 GLY 28 HA3 GLY 28 -1.507 7.145 -3.329 200 H SER 29 H SER 29 0.567 6.813 -1.710 201 HA SER 29 HA SER 29 0.342 4.109 -0.594 202 HB2 SER 29 HB2 SER 29 2.685 3.580 -0.775 203 HB3 SER 29 HB3 SER 29 2.028 3.894 -2.392 204 HG SER 29 HG SER 29 2.999 5.925 -2.377 205 H CYS 30 H CYS 30 1.604 3.818 1.402 206 HA CYS 30 HA CYS 30 2.982 6.088 2.553 207 HB2 CYS 30 HB2 CYS 30 1.675 6.438 4.498 208 HB3 CYS 30 HB3 CYS 30 0.520 6.459 3.165 209 H GLY 31 H GLY 31 4.472 5.516 4.188 210 HA2 GLY 31 HA2 GLY 31 5.331 2.787 4.263 211 HA3 GLY 31 HA3 GLY 31 5.875 4.066 5.348 212 H TYR 32 H TYR 32 4.916 1.122 5.702 213 HA TYR 32 HA TYR 32 2.850 1.579 7.819 214 HB2 TYR 32 HB2 TYR 32 2.220 0.587 5.432 215 HB3 TYR 32 HB3 TYR 32 2.868 -0.896 6.102 216 HD1 TYR 32 HD1 TYR 32 1.290 -2.299 7.240 217 HD2 TYR 32 HD2 TYR 32 0.526 1.939 6.913 218 HE1 TYR 32 HE1 TYR 32 -0.980 -2.624 8.218 219 HE2 TYR 32 HE2 TYR 32 -1.714 1.616 7.934 220 HH TYR 32 HH TYR 32 -3.188 0.120 8.874 221 H PHE 33 H PHE 33 2.673 -0.538 9.248 222 HA PHE 33 HA PHE 33 5.187 -0.827 10.567 223 HB2 PHE 33 HB2 PHE 33 2.973 -1.145 11.631 224 HB3 PHE 33 HB3 PHE 33 2.768 -2.632 10.694 225 HD1 PHE 33 HD1 PHE 33 5.364 -1.071 12.965 226 HD2 PHE 33 HD2 PHE 33 3.174 -4.623 11.864 227 HE1 PHE 33 HE1 PHE 33 6.523 -2.346 14.755 228 HE2 PHE 33 HE2 PHE 33 4.320 -5.886 13.670 229 HZ PHE 33 HZ PHE 33 6.002 -4.753 15.109 230 H LEU 34 H LEU 34 6.893 -1.961 10.054 231 HA LEU 34 HA LEU 34 8.363 -3.301 9.101 232 HB2 LEU 34 HB2 LEU 34 6.222 -5.430 9.057 233 HB3 LEU 34 HB3 LEU 34 7.962 -5.689 9.010 234 HG LEU 34 HG LEU 34 6.443 -4.494 11.368 235 HD11 LEU 34 HD11 LEU 34 6.879 -6.660 12.422 236 HD12 LEU 34 HD12 LEU 34 5.915 -6.833 10.941 237 HD13 LEU 34 HD13 LEU 34 7.646 -7.243 10.920 238 HD21 LEU 34 HD21 LEU 34 9.358 -5.344 11.108 239 HD22 LEU 34 HD22 LEU 34 8.758 -3.682 11.334 240 HD23 LEU 34 HD23 LEU 34 8.540 -4.874 12.618 241 H GLY 35 H GLY 35 6.064 -2.119 7.223 242 HA2 GLY 35 HA2 GLY 35 7.439 -2.774 4.703 243 HA3 GLY 35 HA3 GLY 35 5.849 -3.511 4.863 244 H ILE 36 H ILE 36 4.719 -2.419 3.351 245 HA ILE 36 HA ILE 36 4.243 0.489 3.714 246 HB ILE 36 HB ILE 36 6.003 0.608 2.218 247 HG12 ILE 36 HG12 ILE 36 3.584 0.605 0.374 248 HG13 ILE 36 HG13 ILE 36 3.880 1.837 1.574 249 HG21 ILE 36 HG21 ILE 36 4.780 -1.457 0.363 250 HG22 ILE 36 HG22 ILE 36 6.347 -0.647 0.210 251 HG23 ILE 36 HG23 ILE 36 6.097 -1.815 1.496 252 HD11 ILE 36 HD11 ILE 36 4.663 2.682 -0.514 253 HD12 ILE 36 HD12 ILE 36 6.087 2.334 0.475 254 HD13 ILE 36 HD13 ILE 36 5.597 1.212 -0.835 255 H CYS 37 H CYS 37 2.362 1.275 2.984 256 HA CYS 37 HA CYS 37 0.182 -0.628 2.275 257 HB2 CYS 37 HB2 CYS 37 -0.084 0.721 4.302 258 HB3 CYS 37 HB3 CYS 37 0.345 2.177 3.424 259 H CYS 38 H CYS 38 -0.645 -0.518 0.239 260 HA CYS 38 HA CYS 38 0.006 1.781 -1.571 261 HB2 CYS 38 HB2 CYS 38 -0.094 -1.166 -2.223 262 HB3 CYS 38 HB3 CYS 38 0.215 0.123 -3.373 263 H TYR 39 H TYR 39 -1.765 2.596 -2.657 264 HA TYR 39 HA TYR 39 -4.324 1.101 -2.471 265 HB2 TYR 39 HB2 TYR 39 -5.476 3.197 -1.752 266 HB3 TYR 39 HB3 TYR 39 -4.464 2.402 -0.582 267 HD1 TYR 39 HD1 TYR 39 -2.697 3.511 0.525 268 HD2 TYR 39 HD2 TYR 39 -4.675 5.352 -2.843 269 HE1 TYR 39 HE1 TYR 39 -1.682 5.701 1.131 270 HE2 TYR 39 HE2 TYR 39 -3.679 7.552 -2.213 271 HH TYR 39 HH TYR 39 -1.486 7.927 0.594 272 HA PRO 40 HA PRO 40 -6.750 1.905 -2.949 273 HB2 PRO 40 HB2 PRO 40 -8.394 0.769 -4.791 274 HB3 PRO 40 HB3 PRO 40 -8.220 2.540 -4.602 275 HG2 PRO 40 HG2 PRO 40 -6.770 0.735 -6.580 276 HG3 PRO 40 HG3 PRO 40 -7.699 2.232 -6.932 277 HD2 PRO 40 HD2 PRO 40 -5.011 2.314 -6.632 278 HD3 PRO 40 HD3 PRO 40 -6.044 3.601 -5.943 279 H VAL 41 H VAL 41 -7.702 -0.115 -2.295 280 HA VAL 41 HA VAL 41 -5.935 -2.319 -2.056 281 HB VAL 41 HB VAL 41 -7.691 -1.628 -0.447 282 HG11 VAL 41 HG11 VAL 41 -9.568 -1.220 -2.029 283 HG12 VAL 41 HG12 VAL 41 -9.704 -2.974 -2.280 284 HG13 VAL 41 HG13 VAL 41 -10.000 -2.275 -0.678 285 HG21 VAL 41 HG21 VAL 41 -6.706 -3.820 -0.184 286 HG22 VAL 41 HG22 VAL 41 -8.409 -3.854 0.258 287 HG23 VAL 41 HG23 VAL 41 -7.902 -4.535 -1.299 288 H ASP 42 H ASP 42 -5.875 -4.350 -2.979 289 HA ASP 42 HA ASP 42 -7.310 -4.739 -5.571 290 HB2 ASP 42 HB2 ASP 42 -4.891 -4.449 -5.796 291 HB3 ASP 42 HB3 ASP 42 -4.606 -5.779 -4.680 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -7.031 -13.609 3.994 2 H2 GLY 1 H2 GLY 1 -6.871 -12.944 5.484 3 H3 GLY 1 H3 GLY 1 -5.574 -13.050 4.490 4 HA2 GLY 1 HA2 GLY 1 -6.555 -11.502 2.932 5 HA3 GLY 1 HA3 GLY 1 -7.969 -11.397 3.999 6 H THR 2 H THR 2 -5.633 -9.513 3.075 7 HA THR 2 HA THR 2 -5.044 -8.319 5.747 8 HB THR 2 HB THR 2 -2.925 -8.617 3.594 9 HG1 THR 2 HG1 THR 2 -2.101 -10.302 4.818 10 HG21 THR 2 HG21 THR 2 -2.468 -6.860 5.275 11 HG22 THR 2 HG22 THR 2 -2.783 -8.014 6.589 12 HG23 THR 2 HG23 THR 2 -1.384 -8.232 5.518 13 H THR 3 H THR 3 -4.813 -6.095 5.772 14 HA THR 3 HA THR 3 -5.270 -4.503 3.304 15 HB THR 3 HB THR 3 -6.901 -3.322 5.222 16 HG1 THR 3 HG1 THR 3 -8.271 -4.931 5.953 17 HG21 THR 3 HG21 THR 3 -7.464 -3.487 2.908 18 HG22 THR 3 HG22 THR 3 -7.595 -5.261 2.992 19 HG23 THR 3 HG23 THR 3 -8.778 -4.234 3.834 20 H CYS 4 H CYS 4 -5.141 -2.144 3.708 21 HA CYS 4 HA CYS 4 -3.697 -1.371 6.149 22 HB2 CYS 4 HB2 CYS 4 -1.947 -0.252 5.050 23 HB3 CYS 4 HB3 CYS 4 -2.007 -1.851 4.333 24 H TYR 5 H TYR 5 -3.734 0.982 6.582 25 HA TYR 5 HA TYR 5 -5.841 2.476 5.077 26 HB2 TYR 5 HB2 TYR 5 -5.670 2.159 8.091 27 HB3 TYR 5 HB3 TYR 5 -6.682 3.329 7.265 28 HD1 TYR 5 HD1 TYR 5 -6.284 -0.216 8.153 29 HD2 TYR 5 HD2 TYR 5 -8.673 2.648 5.975 30 HE1 TYR 5 HE1 TYR 5 -8.163 -1.848 8.068 31 HE2 TYR 5 HE2 TYR 5 -10.568 1.027 5.937 32 HH TYR 5 HH TYR 5 -10.326 -2.230 7.418 33 H CYS 6 H CYS 6 -5.382 4.509 4.640 34 HA CYS 6 HA CYS 6 -3.676 6.126 6.438 35 HB2 CYS 6 HB2 CYS 6 -2.785 5.176 3.761 36 HB3 CYS 6 HB3 CYS 6 -2.573 6.895 4.038 37 H GLY 7 H GLY 7 -4.414 8.192 6.606 38 HA2 GLY 7 HA2 GLY 7 -5.641 10.101 6.210 39 HA3 GLY 7 HA3 GLY 7 -5.261 9.838 4.506 40 H LYS 8 H LYS 8 -7.302 7.802 6.593 41 HA LYS 8 HA LYS 8 -9.333 6.865 6.310 42 HB2 LYS 8 HB2 LYS 8 -9.830 9.362 6.799 43 HB3 LYS 8 HB3 LYS 8 -10.402 9.420 5.130 44 HG2 LYS 8 HG2 LYS 8 -12.021 7.602 5.640 45 HG3 LYS 8 HG3 LYS 8 -11.426 7.500 7.293 46 HD2 LYS 8 HD2 LYS 8 -12.574 10.103 6.193 47 HD3 LYS 8 HD3 LYS 8 -13.615 8.794 6.727 48 HE2 LYS 8 HE2 LYS 8 -13.486 10.213 8.570 49 HE3 LYS 8 HE3 LYS 8 -12.495 8.813 8.973 50 HZ1 LYS 8 HZ1 LYS 8 -11.441 11.430 8.017 51 HZ2 LYS 8 HZ2 LYS 8 -11.438 10.935 9.569 52 HZ3 LYS 8 HZ3 LYS 8 -10.523 10.151 8.476 53 H THR 9 H THR 9 -7.438 6.702 4.103 54 HA THR 9 HA THR 9 -9.242 5.622 1.983 55 HB THR 9 HB THR 9 -6.334 6.495 1.661 56 HG1 THR 9 HG1 THR 9 -7.739 8.257 1.846 57 HG21 THR 9 HG21 THR 9 -6.905 4.693 0.110 58 HG22 THR 9 HG22 THR 9 -8.406 5.526 -0.358 59 HG23 THR 9 HG23 THR 9 -6.822 6.225 -0.760 60 H ILE 10 H ILE 10 -9.100 3.475 1.691 61 HA ILE 10 HA ILE 10 -7.240 1.880 3.366 62 HB ILE 10 HB ILE 10 -9.631 1.525 3.645 63 HG12 ILE 10 HG12 ILE 10 -8.267 -0.872 2.345 64 HG13 ILE 10 HG13 ILE 10 -8.190 -0.386 4.043 65 HG21 ILE 10 HG21 ILE 10 -10.327 2.221 1.395 66 HG22 ILE 10 HG22 ILE 10 -9.674 0.703 0.731 67 HG23 ILE 10 HG23 ILE 10 -11.055 0.691 1.861 68 HD11 ILE 10 HD11 ILE 10 -10.575 -1.495 2.532 69 HD12 ILE 10 HD12 ILE 10 -9.752 -2.159 3.952 70 HD13 ILE 10 HD13 ILE 10 -10.736 -0.697 4.115 71 H GLY 11 H GLY 11 -5.950 0.261 2.508 72 HA2 GLY 11 HA2 GLY 11 -5.773 -0.103 -0.436 73 HA3 GLY 11 HA3 GLY 11 -4.348 0.433 0.447 74 H ILE 12 H ILE 12 -3.535 -1.472 -0.548 75 HA ILE 12 HA ILE 12 -3.941 -3.965 1.002 76 HB ILE 12 HB ILE 12 -3.616 -3.431 -1.785 77 HG12 ILE 12 HG12 ILE 12 -5.063 -5.090 -0.909 78 HG13 ILE 12 HG13 ILE 12 -3.959 -5.770 -2.092 79 HG21 ILE 12 HG21 ILE 12 -1.742 -4.902 -2.397 80 HG22 ILE 12 HG22 ILE 12 -1.286 -3.331 -1.685 81 HG23 ILE 12 HG23 ILE 12 -1.157 -4.850 -0.745 82 HD11 ILE 12 HD11 ILE 12 -2.579 -6.804 -0.341 83 HD12 ILE 12 HD12 ILE 12 -3.635 -6.129 0.917 84 HD13 ILE 12 HD13 ILE 12 -4.267 -7.327 -0.222 85 H TYR 13 H TYR 13 -2.191 -4.881 2.081 86 HA TYR 13 HA TYR 13 0.097 -3.052 2.638 87 HB2 TYR 13 HB2 TYR 13 -1.013 -3.801 4.620 88 HB3 TYR 13 HB3 TYR 13 -1.010 -5.469 4.063 89 HD1 TYR 13 HD1 TYR 13 1.496 -2.696 4.670 90 HD2 TYR 13 HD2 TYR 13 0.561 -6.899 4.995 91 HE1 TYR 13 HE1 TYR 13 3.733 -3.122 5.697 92 HE2 TYR 13 HE2 TYR 13 2.768 -7.311 6.050 93 HH TYR 13 HH TYR 13 4.723 -6.415 6.728 94 H TRP 14 H TRP 14 2.048 -3.396 1.884 95 HA TRP 14 HA TRP 14 2.804 -6.044 0.697 96 HB2 TRP 14 HB2 TRP 14 3.582 -3.219 -0.038 97 HB3 TRP 14 HB3 TRP 14 4.537 -4.598 -0.523 98 HD1 TRP 14 HD1 TRP 14 1.290 -2.856 -1.304 99 HE1 TRP 14 HE1 TRP 14 0.237 -3.875 -3.425 100 HE3 TRP 14 HE3 TRP 14 4.408 -6.878 -1.933 101 HZ2 TRP 14 HZ2 TRP 14 0.642 -6.146 -5.118 102 HZ3 TRP 14 HZ3 TRP 14 4.032 -8.468 -3.807 103 HH2 TRP 14 HH2 TRP 14 2.154 -8.122 -5.397 104 H PHE 15 H PHE 15 4.270 -7.158 1.723 105 HA PHE 15 HA PHE 15 5.864 -5.962 3.926 106 HB2 PHE 15 HB2 PHE 15 4.496 -7.857 4.528 107 HB3 PHE 15 HB3 PHE 15 5.089 -8.791 3.170 108 HD1 PHE 15 HD1 PHE 15 6.368 -10.601 3.858 109 HD2 PHE 15 HD2 PHE 15 6.796 -6.860 5.967 110 HE1 PHE 15 HE1 PHE 15 8.120 -11.605 5.299 111 HE2 PHE 15 HE2 PHE 15 8.544 -7.868 7.399 112 HZ PHE 15 HZ PHE 15 9.212 -10.243 7.072 113 H GLY 16 H GLY 16 8.068 -6.017 3.999 114 HA2 GLY 16 HA2 GLY 16 10.260 -6.449 3.422 115 HA3 GLY 16 HA3 GLY 16 9.698 -7.729 2.343 116 H THR 17 H THR 17 8.459 -4.524 1.819 117 HA THR 17 HA THR 17 10.500 -3.759 -0.146 118 HB THR 17 HB THR 17 8.682 -4.944 -1.443 119 HG1 THR 17 HG1 THR 17 8.515 -3.211 -2.909 120 HG21 THR 17 HG21 THR 17 6.757 -4.147 -0.008 121 HG22 THR 17 HG22 THR 17 6.936 -2.581 -0.834 122 HG23 THR 17 HG23 THR 17 6.561 -4.031 -1.769 123 H LYS 18 H LYS 18 10.149 -1.526 -0.796 124 HA LYS 18 HA LYS 18 8.924 0.216 1.313 125 HB2 LYS 18 HB2 LYS 18 11.567 -0.171 1.287 126 HB3 LYS 18 HB3 LYS 18 11.512 0.959 -0.058 127 HG2 LYS 18 HG2 LYS 18 11.745 2.494 1.577 128 HG3 LYS 18 HG3 LYS 18 9.997 2.347 1.713 129 HD2 LYS 18 HD2 LYS 18 12.060 0.842 3.390 130 HD3 LYS 18 HD3 LYS 18 11.218 2.286 3.922 131 HE2 LYS 18 HE2 LYS 18 9.778 -0.301 3.173 132 HE3 LYS 18 HE3 LYS 18 10.366 0.039 4.797 133 HZ1 LYS 18 HZ1 LYS 18 8.953 1.972 4.911 134 HZ2 LYS 18 HZ2 LYS 18 8.426 1.780 3.376 135 HZ3 LYS 18 HZ3 LYS 18 8.026 0.682 4.530 136 H THR 19 H THR 19 8.825 -0.563 -1.814 137 HA THR 19 HA THR 19 7.432 1.951 -2.581 138 HB THR 19 HB THR 19 9.696 1.828 -3.685 139 HG1 THR 19 HG1 THR 19 8.817 2.497 -5.628 140 HG21 THR 19 HG21 THR 19 8.397 -0.377 -5.357 141 HG22 THR 19 HG22 THR 19 9.983 0.379 -5.621 142 HG23 THR 19 HG23 THR 19 9.716 -0.632 -4.192 143 H CYS 20 H CYS 20 5.864 1.610 -4.371 144 HA CYS 20 HA CYS 20 4.438 -0.963 -3.981 145 HB2 CYS 20 HB2 CYS 20 3.512 1.671 -5.163 146 HB3 CYS 20 HB3 CYS 20 2.513 0.228 -4.975 147 HA PRO 21 HA PRO 21 5.752 -2.322 -8.022 148 HB2 PRO 21 HB2 PRO 21 3.911 -4.312 -8.510 149 HB3 PRO 21 HB3 PRO 21 5.242 -4.469 -7.321 150 HG2 PRO 21 HG2 PRO 21 2.367 -3.667 -6.806 151 HG3 PRO 21 HG3 PRO 21 3.326 -4.879 -5.914 152 HD2 PRO 21 HD2 PRO 21 3.057 -2.396 -4.947 153 HD3 PRO 21 HD3 PRO 21 4.633 -3.240 -4.834 154 H SER 22 H SER 22 5.575 -1.089 -9.673 155 HA SER 22 HA SER 22 3.553 0.700 -10.202 156 HB2 SER 22 HB2 SER 22 5.572 -0.370 -12.209 157 HB3 SER 22 HB3 SER 22 4.788 1.219 -12.208 158 HG SER 22 HG SER 22 6.905 1.310 -11.333 159 H ASN 23 H ASN 23 3.841 -2.547 -11.555 160 HA ASN 23 HA ASN 23 1.937 -2.123 -13.714 161 HB2 ASN 23 HB2 ASN 23 3.160 -4.655 -12.533 162 HB3 ASN 23 HB3 ASN 23 2.182 -4.598 -13.995 163 HD21 ASN 23 HD21 ASN 23 5.365 -4.634 -12.974 164 HD22 ASN 23 HD22 ASN 23 6.069 -3.880 -14.396 165 H ARG 24 H ARG 24 1.377 -2.437 -10.390 166 HA ARG 24 HA ARG 24 -1.090 -4.031 -10.597 167 HB2 ARG 24 HB2 ARG 24 0.761 -3.830 -8.659 168 HB3 ARG 24 HB3 ARG 24 -0.260 -2.495 -8.161 169 HG2 ARG 24 HG2 ARG 24 -1.298 -4.121 -6.972 170 HG3 ARG 24 HG3 ARG 24 -2.195 -4.404 -8.448 171 HD2 ARG 24 HD2 ARG 24 0.373 -5.847 -7.637 172 HD3 ARG 24 HD3 ARG 24 -1.228 -6.459 -7.289 173 HE ARG 24 HE ARG 24 0.184 -6.528 -9.839 174 HH11 ARG 24 HH11 ARG 24 -3.088 -6.698 -8.472 175 HH12 ARG 24 HH12 ARG 24 -3.670 -7.565 -9.866 176 HH21 ARG 24 HH21 ARG 24 -0.689 -7.623 -11.554 177 HH22 ARG 24 HH22 ARG 24 -2.372 -8.060 -11.544 178 H GLY 25 H GLY 25 -0.404 -0.740 -11.079 179 HA2 GLY 25 HA2 GLY 25 -1.864 0.911 -11.776 180 HA3 GLY 25 HA3 GLY 25 -3.234 -0.138 -11.415 181 H TYR 26 H TYR 26 -0.822 0.695 -8.938 182 HA TYR 26 HA TYR 26 -2.828 1.770 -7.179 183 HB2 TYR 26 HB2 TYR 26 0.208 1.782 -7.038 184 HB3 TYR 26 HB3 TYR 26 -0.830 2.367 -5.743 185 HD1 TYR 26 HD1 TYR 26 1.096 -0.388 -6.605 186 HD2 TYR 26 HD2 TYR 26 -2.900 0.581 -5.258 187 HE1 TYR 26 HE1 TYR 26 0.845 -2.653 -5.618 188 HE2 TYR 26 HE2 TYR 26 -3.137 -1.708 -4.335 189 HH TYR 26 HH TYR 26 -2.220 -3.767 -4.194 190 H THR 27 H THR 27 -3.133 3.835 -6.365 191 HA THR 27 HA THR 27 -2.258 6.073 -8.158 192 HB THR 27 HB THR 27 -4.718 5.439 -7.990 193 HG1 THR 27 HG1 THR 27 -3.862 8.079 -7.424 194 HG21 THR 27 HG21 THR 27 -4.813 5.298 -5.462 195 HG22 THR 27 HG22 THR 27 -4.627 7.060 -5.408 196 HG23 THR 27 HG23 THR 27 -6.039 6.338 -6.207 197 H GLY 28 H GLY 28 -1.853 4.848 -4.978 198 HA2 GLY 28 HA2 GLY 28 0.002 6.921 -4.292 199 HA3 GLY 28 HA3 GLY 28 -1.494 7.130 -3.387 200 H SER 29 H SER 29 0.629 6.759 -1.900 201 HA SER 29 HA SER 29 0.354 4.098 -0.698 202 HB2 SER 29 HB2 SER 29 2.669 3.496 -0.899 203 HB3 SER 29 HB3 SER 29 2.003 3.783 -2.516 204 HG SER 29 HG SER 29 3.036 5.783 -2.570 205 H CYS 30 H CYS 30 1.612 3.834 1.293 206 HA CYS 30 HA CYS 30 3.007 6.125 2.393 207 HB2 CYS 30 HB2 CYS 30 1.658 6.430 4.374 208 HB3 CYS 30 HB3 CYS 30 0.610 6.614 2.964 209 H GLY 31 H GLY 31 4.481 5.576 4.053 210 HA2 GLY 31 HA2 GLY 31 5.367 2.866 4.146 211 HA3 GLY 31 HA3 GLY 31 5.882 4.153 5.239 212 H TYR 32 H TYR 32 5.054 1.190 5.615 213 HA TYR 32 HA TYR 32 3.026 1.576 7.776 214 HB2 TYR 32 HB2 TYR 32 2.456 0.498 5.336 215 HB3 TYR 32 HB3 TYR 32 2.989 -0.943 6.172 216 HD1 TYR 32 HD1 TYR 32 1.299 -2.137 7.390 217 HD2 TYR 32 HD2 TYR 32 0.772 2.067 6.554 218 HE1 TYR 32 HE1 TYR 32 -1.037 -2.256 8.241 219 HE2 TYR 32 HE2 TYR 32 -1.558 1.944 7.420 220 HH TYR 32 HH TYR 32 -2.974 -1.093 8.673 221 H PHE 33 H PHE 33 2.949 -0.403 9.266 222 HA PHE 33 HA PHE 33 5.500 -0.820 10.444 223 HB2 PHE 33 HB2 PHE 33 3.330 -1.064 11.604 224 HB3 PHE 33 HB3 PHE 33 2.998 -2.506 10.634 225 HD1 PHE 33 HD1 PHE 33 5.834 -1.216 12.794 226 HD2 PHE 33 HD2 PHE 33 3.243 -4.519 11.790 227 HE1 PHE 33 HE1 PHE 33 6.954 -2.621 14.507 228 HE2 PHE 33 HE2 PHE 33 4.354 -5.911 13.519 229 HZ PHE 33 HZ PHE 33 6.216 -4.969 14.873 230 H LEU 34 H LEU 34 7.129 -2.090 9.934 231 HA LEU 34 HA LEU 34 8.499 -3.499 8.921 232 HB2 LEU 34 HB2 LEU 34 6.202 -5.457 8.805 233 HB3 LEU 34 HB3 LEU 34 7.913 -5.845 8.729 234 HG LEU 34 HG LEU 34 6.517 -4.638 11.152 235 HD11 LEU 34 HD11 LEU 34 6.758 -6.885 12.102 236 HD12 LEU 34 HD12 LEU 34 5.767 -6.896 10.629 237 HD13 LEU 34 HD13 LEU 34 7.451 -7.465 10.564 238 HD21 LEU 34 HD21 LEU 34 9.336 -5.747 10.821 239 HD22 LEU 34 HD22 LEU 34 8.901 -4.047 11.122 240 HD23 LEU 34 HD23 LEU 34 8.580 -5.265 12.359 241 H GLY 35 H GLY 35 6.243 -2.098 7.083 242 HA2 GLY 35 HA2 GLY 35 7.599 -2.725 4.550 243 HA3 GLY 35 HA3 GLY 35 6.010 -3.461 4.695 244 H ILE 36 H ILE 36 4.757 -2.377 3.333 245 HA ILE 36 HA ILE 36 4.319 0.534 3.657 246 HB ILE 36 HB ILE 36 6.038 0.656 2.114 247 HG12 ILE 36 HG12 ILE 36 3.586 0.610 0.324 248 HG13 ILE 36 HG13 ILE 36 3.904 1.867 1.495 249 HG21 ILE 36 HG21 ILE 36 6.344 -0.638 0.109 250 HG22 ILE 36 HG22 ILE 36 6.136 -1.782 1.424 251 HG23 ILE 36 HG23 ILE 36 4.787 -1.453 0.321 252 HD11 ILE 36 HD11 ILE 36 5.564 1.188 -0.943 253 HD12 ILE 36 HD12 ILE 36 4.661 2.678 -0.620 254 HD13 ILE 36 HD13 ILE 36 6.104 2.321 0.335 255 H CYS 37 H CYS 37 2.412 1.312 2.928 256 HA CYS 37 HA CYS 37 0.226 -0.608 2.285 257 HB2 CYS 37 HB2 CYS 37 -0.041 0.728 4.281 258 HB3 CYS 37 HB3 CYS 37 0.425 2.184 3.430 259 H CYS 38 H CYS 38 -0.626 -0.534 0.256 260 HA CYS 38 HA CYS 38 -0.021 1.753 -1.588 261 HB2 CYS 38 HB2 CYS 38 -0.112 -1.203 -2.211 262 HB3 CYS 38 HB3 CYS 38 0.185 0.075 -3.375 263 H TYR 39 H TYR 39 -1.818 2.542 -2.636 264 HA TYR 39 HA TYR 39 -4.381 1.066 -2.332 265 HB2 TYR 39 HB2 TYR 39 -5.490 3.165 -1.584 266 HB3 TYR 39 HB3 TYR 39 -4.413 2.406 -0.448 267 HD1 TYR 39 HD1 TYR 39 -2.574 3.537 0.517 268 HD2 TYR 39 HD2 TYR 39 -4.779 5.313 -2.742 269 HE1 TYR 39 HE1 TYR 39 -1.530 5.741 1.014 270 HE2 TYR 39 HE2 TYR 39 -3.732 7.518 -2.240 271 HH TYR 39 HH TYR 39 -1.353 7.949 0.404 272 HA PRO 40 HA PRO 40 -6.790 1.791 -2.713 273 HB2 PRO 40 HB2 PRO 40 -8.525 0.703 -4.489 274 HB3 PRO 40 HB3 PRO 40 -8.347 2.470 -4.271 275 HG2 PRO 40 HG2 PRO 40 -7.010 0.711 -6.367 276 HG3 PRO 40 HG3 PRO 40 -7.948 2.218 -6.633 277 HD2 PRO 40 HD2 PRO 40 -5.241 2.261 -6.473 278 HD3 PRO 40 HD3 PRO 40 -6.226 3.560 -5.742 279 H VAL 41 H VAL 41 -7.702 -0.287 -2.107 280 HA VAL 41 HA VAL 41 -5.901 -2.417 -1.940 281 HB VAL 41 HB VAL 41 -7.768 -1.811 -0.399 282 HG11 VAL 41 HG11 VAL 41 -9.601 -3.312 -2.300 283 HG12 VAL 41 HG12 VAL 41 -10.014 -2.612 -0.724 284 HG13 VAL 41 HG13 VAL 41 -9.596 -1.549 -2.072 285 HG21 VAL 41 HG21 VAL 41 -6.660 -3.896 -0.034 286 HG22 VAL 41 HG22 VAL 41 -8.381 -4.096 0.264 287 HG23 VAL 41 HG23 VAL 41 -7.685 -4.722 -1.243 288 H ASP 42 H ASP 42 -5.707 -4.410 -2.921 289 HA ASP 42 HA ASP 42 -6.125 -4.413 -5.754 290 HB2 ASP 42 HB2 ASP 42 -4.115 -5.279 -4.590 291 HB3 ASP 42 HB3 ASP 42 -5.072 -6.612 -3.951 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -6.111 -13.288 3.646 2 H2 GLY 1 H2 GLY 1 -6.861 -12.107 4.499 3 H3 GLY 1 H3 GLY 1 -5.621 -12.936 5.170 4 HA2 GLY 1 HA2 GLY 1 -4.062 -12.036 3.569 5 HA3 GLY 1 HA3 GLY 1 -5.406 -11.132 2.847 6 H THR 2 H THR 2 -3.667 -9.412 3.378 7 HA THR 2 HA THR 2 -4.272 -8.203 6.054 8 HB THR 2 HB THR 2 -1.575 -8.036 4.672 9 HG1 THR 2 HG1 THR 2 -1.885 -10.107 5.468 10 HG21 THR 2 HG21 THR 2 -0.837 -7.170 6.878 11 HG22 THR 2 HG22 THR 2 -2.060 -6.115 6.164 12 HG23 THR 2 HG23 THR 2 -2.511 -7.233 7.469 13 H THR 3 H THR 3 -5.137 -6.273 5.933 14 HA THR 3 HA THR 3 -5.065 -4.687 3.412 15 HB THR 3 HB THR 3 -6.994 -4.160 5.653 16 HG1 THR 3 HG1 THR 3 -7.331 -6.219 3.728 17 HG21 THR 3 HG21 THR 3 -7.171 -4.039 2.617 18 HG22 THR 3 HG22 THR 3 -8.552 -3.801 3.702 19 HG23 THR 3 HG23 THR 3 -7.188 -2.679 3.766 20 H CYS 4 H CYS 4 -5.139 -2.277 3.731 21 HA CYS 4 HA CYS 4 -3.711 -1.336 6.171 22 HB2 CYS 4 HB2 CYS 4 -1.928 -0.404 5.030 23 HB3 CYS 4 HB3 CYS 4 -2.103 -1.992 4.317 24 H TYR 5 H TYR 5 -3.694 1.039 6.410 25 HA TYR 5 HA TYR 5 -5.831 2.481 4.922 26 HB2 TYR 5 HB2 TYR 5 -5.689 2.220 7.950 27 HB3 TYR 5 HB3 TYR 5 -6.701 3.362 7.089 28 HD1 TYR 5 HD1 TYR 5 -6.206 -0.226 7.895 29 HD2 TYR 5 HD2 TYR 5 -8.777 2.702 6.037 30 HE1 TYR 5 HE1 TYR 5 -8.057 -1.887 7.843 31 HE2 TYR 5 HE2 TYR 5 -10.640 1.044 6.019 32 HH TYR 5 HH TYR 5 -10.247 -2.282 7.299 33 H CYS 6 H CYS 6 -5.288 4.524 4.436 34 HA CYS 6 HA CYS 6 -3.676 6.104 6.352 35 HB2 CYS 6 HB2 CYS 6 -2.641 5.168 3.728 36 HB3 CYS 6 HB3 CYS 6 -2.447 6.890 4.010 37 H GLY 7 H GLY 7 -4.389 8.181 6.510 38 HA2 GLY 7 HA2 GLY 7 -5.626 10.085 6.104 39 HA3 GLY 7 HA3 GLY 7 -5.164 9.867 4.412 40 H LYS 8 H LYS 8 -7.269 7.804 6.407 41 HA LYS 8 HA LYS 8 -9.267 6.809 6.027 42 HB2 LYS 8 HB2 LYS 8 -10.120 9.506 4.940 43 HB3 LYS 8 HB3 LYS 8 -11.192 8.194 5.438 44 HG2 LYS 8 HG2 LYS 8 -10.271 8.312 7.750 45 HG3 LYS 8 HG3 LYS 8 -9.271 9.696 7.267 46 HD2 LYS 8 HD2 LYS 8 -11.311 10.975 6.675 47 HD3 LYS 8 HD3 LYS 8 -12.317 9.592 7.164 48 HE2 LYS 8 HE2 LYS 8 -11.379 9.728 9.463 49 HE3 LYS 8 HE3 LYS 8 -10.382 11.105 8.978 50 HZ1 LYS 8 HZ1 LYS 8 -12.433 12.343 8.519 51 HZ2 LYS 8 HZ2 LYS 8 -13.355 11.069 8.968 52 HZ3 LYS 8 HZ3 LYS 8 -12.425 11.833 10.068 53 H THR 9 H THR 9 -7.256 6.743 3.843 54 HA THR 9 HA THR 9 -8.970 5.651 1.660 55 HB THR 9 HB THR 9 -6.068 6.558 1.438 56 HG1 THR 9 HG1 THR 9 -7.481 8.313 1.672 57 HG21 THR 9 HG21 THR 9 -6.658 4.799 -0.171 58 HG22 THR 9 HG22 THR 9 -8.128 5.683 -0.640 59 HG23 THR 9 HG23 THR 9 -6.523 6.359 -0.992 60 H ILE 10 H ILE 10 -9.167 3.573 1.974 61 HA ILE 10 HA ILE 10 -7.250 1.890 3.377 62 HB ILE 10 HB ILE 10 -9.712 1.633 3.474 63 HG12 ILE 10 HG12 ILE 10 -8.293 -0.829 2.373 64 HG13 ILE 10 HG13 ILE 10 -8.311 -0.279 4.054 65 HG21 ILE 10 HG21 ILE 10 -10.072 2.233 1.058 66 HG22 ILE 10 HG22 ILE 10 -9.507 0.604 0.630 67 HG23 ILE 10 HG23 ILE 10 -10.987 0.823 1.600 68 HD11 ILE 10 HD11 ILE 10 -10.857 -0.511 3.992 69 HD12 ILE 10 HD12 ILE 10 -10.649 -1.350 2.435 70 HD13 ILE 10 HD13 ILE 10 -9.933 -2.016 3.910 71 H GLY 11 H GLY 11 -5.976 0.242 2.487 72 HA2 GLY 11 HA2 GLY 11 -5.686 0.002 -0.456 73 HA3 GLY 11 HA3 GLY 11 -4.288 0.495 0.494 74 H ILE 12 H ILE 12 -3.593 -1.454 -0.680 75 HA ILE 12 HA ILE 12 -4.028 -3.959 0.837 76 HB ILE 12 HB ILE 12 -3.653 -3.355 -1.937 77 HG12 ILE 12 HG12 ILE 12 -5.168 -4.993 -1.140 78 HG13 ILE 12 HG13 ILE 12 -4.055 -5.682 -2.313 79 HG21 ILE 12 HG21 ILE 12 -1.329 -3.323 -1.811 80 HG22 ILE 12 HG22 ILE 12 -1.247 -4.867 -0.911 81 HG23 ILE 12 HG23 ILE 12 -1.820 -4.854 -2.573 82 HD11 ILE 12 HD11 ILE 12 -4.425 -7.293 -0.541 83 HD12 ILE 12 HD12 ILE 12 -2.740 -6.747 -0.480 84 HD13 ILE 12 HD13 ILE 12 -3.926 -6.133 0.695 85 H TYR 13 H TYR 13 -2.328 -4.940 1.914 86 HA TYR 13 HA TYR 13 -0.022 -3.170 2.560 87 HB2 TYR 13 HB2 TYR 13 -1.172 -4.012 4.483 88 HB3 TYR 13 HB3 TYR 13 -1.127 -5.658 3.863 89 HD1 TYR 13 HD1 TYR 13 1.206 -2.838 4.768 90 HD2 TYR 13 HD2 TYR 13 0.600 -7.105 4.512 91 HE1 TYR 13 HE1 TYR 13 3.458 -3.225 5.770 92 HE2 TYR 13 HE2 TYR 13 2.834 -7.486 5.520 93 HH TYR 13 HH TYR 13 4.688 -6.544 6.376 94 H TRP 14 H TRP 14 1.939 -3.467 1.829 95 HA TRP 14 HA TRP 14 2.791 -6.103 0.680 96 HB2 TRP 14 HB2 TRP 14 3.466 -3.262 -0.094 97 HB3 TRP 14 HB3 TRP 14 4.459 -4.647 -0.558 98 HD1 TRP 14 HD1 TRP 14 1.240 -2.894 -1.387 99 HE1 TRP 14 HE1 TRP 14 0.211 -3.905 -3.541 100 HE3 TRP 14 HE3 TRP 14 4.385 -6.890 -2.008 101 HZ2 TRP 14 HZ2 TRP 14 0.716 -6.114 -5.291 102 HZ3 TRP 14 HZ3 TRP 14 4.098 -8.425 -3.942 103 HH2 TRP 14 HH2 TRP 14 2.268 -8.056 -5.581 104 H PHE 15 H PHE 15 4.598 -7.037 1.469 105 HA PHE 15 HA PHE 15 5.981 -5.770 3.779 106 HB2 PHE 15 HB2 PHE 15 4.978 -7.906 4.228 107 HB3 PHE 15 HB3 PHE 15 5.715 -8.624 2.806 108 HD1 PHE 15 HD1 PHE 15 7.607 -9.965 3.121 109 HD2 PHE 15 HD2 PHE 15 6.795 -6.822 5.960 110 HE1 PHE 15 HE1 PHE 15 9.543 -10.693 4.493 111 HE2 PHE 15 HE2 PHE 15 8.718 -7.553 7.331 112 HZ PHE 15 HZ PHE 15 10.103 -9.492 6.599 113 H GLY 16 H GLY 16 8.140 -5.432 3.869 114 HA2 GLY 16 HA2 GLY 16 10.350 -5.300 3.389 115 HA3 GLY 16 HA3 GLY 16 10.123 -6.720 2.379 116 H THR 17 H THR 17 8.313 -5.007 0.565 117 HA THR 17 HA THR 17 10.295 -4.482 -1.386 118 HB THR 17 HB THR 17 8.095 -5.292 -1.910 119 HG1 THR 17 HG1 THR 17 7.867 -2.881 -3.182 120 HG21 THR 17 HG21 THR 17 6.118 -3.801 -1.967 121 HG22 THR 17 HG22 THR 17 6.677 -4.116 -0.315 122 HG23 THR 17 HG23 THR 17 7.032 -2.562 -1.088 123 H LYS 18 H LYS 18 8.972 -2.276 0.925 124 HA LYS 18 HA LYS 18 9.185 -0.091 1.417 125 HB2 LYS 18 HB2 LYS 18 11.587 -0.804 1.315 126 HB3 LYS 18 HB3 LYS 18 11.680 -0.098 -0.303 127 HG2 LYS 18 HG2 LYS 18 11.129 2.135 0.633 128 HG3 LYS 18 HG3 LYS 18 10.912 1.415 2.234 129 HD2 LYS 18 HD2 LYS 18 13.056 2.497 2.149 130 HD3 LYS 18 HD3 LYS 18 13.320 0.750 2.235 131 HE2 LYS 18 HE2 LYS 18 13.729 0.685 -0.212 132 HE3 LYS 18 HE3 LYS 18 13.387 2.417 -0.326 133 HZ1 LYS 18 HZ1 LYS 18 15.775 1.988 -0.226 134 HZ2 LYS 18 HZ2 LYS 18 15.322 2.825 1.099 135 HZ3 LYS 18 HZ3 LYS 18 15.636 1.225 1.209 136 H THR 19 H THR 19 9.124 -0.663 -2.030 137 HA THR 19 HA THR 19 7.500 1.826 -2.342 138 HB THR 19 HB THR 19 9.780 1.905 -3.489 139 HG1 THR 19 HG1 THR 19 8.365 3.339 -4.189 140 HG21 THR 19 HG21 THR 19 9.768 -0.433 -4.403 141 HG22 THR 19 HG22 THR 19 8.413 0.016 -5.464 142 HG23 THR 19 HG23 THR 19 9.994 0.809 -5.649 143 H CYS 20 H CYS 20 5.907 1.691 -4.119 144 HA CYS 20 HA CYS 20 4.532 -0.900 -3.960 145 HB2 CYS 20 HB2 CYS 20 3.614 1.801 -4.988 146 HB3 CYS 20 HB3 CYS 20 2.601 0.361 -4.910 147 HA PRO 21 HA PRO 21 5.714 -1.978 -8.134 148 HB2 PRO 21 HB2 PRO 21 4.079 -4.121 -8.586 149 HB3 PRO 21 HB3 PRO 21 5.437 -4.176 -7.417 150 HG2 PRO 21 HG2 PRO 21 2.505 -3.668 -6.843 151 HG3 PRO 21 HG3 PRO 21 3.606 -4.789 -5.992 152 HD2 PRO 21 HD2 PRO 21 3.085 -2.322 -5.009 153 HD3 PRO 21 HD3 PRO 21 4.703 -3.066 -4.866 154 H SER 22 H SER 22 5.311 -0.739 -9.747 155 HA SER 22 HA SER 22 3.043 0.768 -10.233 156 HB2 SER 22 HB2 SER 22 5.091 -0.160 -12.287 157 HB3 SER 22 HB3 SER 22 4.091 1.300 -12.348 158 HG SER 22 HG SER 22 6.209 1.749 -11.592 159 H ASN 23 H ASN 23 3.712 -2.480 -11.441 160 HA ASN 23 HA ASN 23 1.705 -2.484 -13.516 161 HB2 ASN 23 HB2 ASN 23 3.235 -4.752 -12.169 162 HB3 ASN 23 HB3 ASN 23 2.238 -4.921 -13.611 163 HD21 ASN 23 HD21 ASN 23 5.419 -4.472 -12.639 164 HD22 ASN 23 HD22 ASN 23 6.009 -3.767 -14.134 165 H ARG 24 H ARG 24 1.187 -2.523 -10.194 166 HA ARG 24 HA ARG 24 -1.424 -3.990 -10.420 167 HB2 ARG 24 HB2 ARG 24 0.285 -3.020 -8.134 168 HB3 ARG 24 HB3 ARG 24 -1.445 -3.197 -7.904 169 HG2 ARG 24 HG2 ARG 24 -0.398 -5.145 -7.102 170 HG3 ARG 24 HG3 ARG 24 -1.351 -5.575 -8.508 171 HD2 ARG 24 HD2 ARG 24 1.655 -5.097 -8.657 172 HD3 ARG 24 HD3 ARG 24 0.958 -6.652 -8.177 173 HE ARG 24 HE ARG 24 -0.121 -5.641 -10.691 174 HH11 ARG 24 HH11 ARG 24 2.512 -7.558 -9.393 175 HH12 ARG 24 HH12 ARG 24 2.788 -8.355 -10.916 176 HH21 ARG 24 HH21 ARG 24 0.293 -6.656 -12.579 177 HH22 ARG 24 HH22 ARG 24 1.534 -7.875 -12.673 178 H GLY 25 H GLY 25 -0.274 -0.829 -10.907 179 HA2 GLY 25 HA2 GLY 25 -1.486 0.964 -11.682 180 HA3 GLY 25 HA3 GLY 25 -2.977 0.044 -11.469 181 H TYR 26 H TYR 26 -0.712 0.704 -8.813 182 HA TYR 26 HA TYR 26 -2.761 1.830 -7.154 183 HB2 TYR 26 HB2 TYR 26 0.263 1.765 -6.872 184 HB3 TYR 26 HB3 TYR 26 -0.840 2.279 -5.595 185 HD1 TYR 26 HD1 TYR 26 1.151 -0.390 -6.495 186 HD2 TYR 26 HD2 TYR 26 -2.944 0.427 -5.363 187 HE1 TYR 26 HE1 TYR 26 0.881 -2.722 -5.692 188 HE2 TYR 26 HE2 TYR 26 -3.212 -1.933 -4.648 189 HH TYR 26 HH TYR 26 -2.247 -4.007 -4.591 190 H THR 27 H THR 27 -3.069 3.890 -6.364 191 HA THR 27 HA THR 27 -2.098 6.113 -8.118 192 HB THR 27 HB THR 27 -4.559 5.518 -7.970 193 HG1 THR 27 HG1 THR 27 -5.107 7.676 -8.086 194 HG21 THR 27 HG21 THR 27 -4.452 7.089 -5.357 195 HG22 THR 27 HG22 THR 27 -5.879 6.412 -6.168 196 HG23 THR 27 HG23 THR 27 -4.676 5.331 -5.448 197 H GLY 28 H GLY 28 -1.769 4.889 -4.917 198 HA2 GLY 28 HA2 GLY 28 0.186 6.868 -4.246 199 HA3 GLY 28 HA3 GLY 28 -1.300 7.175 -3.353 200 H SER 29 H SER 29 0.734 6.733 -1.808 201 HA SER 29 HA SER 29 0.410 4.063 -0.625 202 HB2 SER 29 HB2 SER 29 2.758 3.494 -0.813 203 HB3 SER 29 HB3 SER 29 2.069 3.770 -2.426 204 HG SER 29 HG SER 29 4.101 4.796 -2.216 205 H CYS 30 H CYS 30 1.686 3.765 1.358 206 HA CYS 30 HA CYS 30 3.085 6.022 2.507 207 HB2 CYS 30 HB2 CYS 30 1.734 6.375 4.460 208 HB3 CYS 30 HB3 CYS 30 0.669 6.533 3.060 209 H GLY 31 H GLY 31 4.481 5.450 4.237 210 HA2 GLY 31 HA2 GLY 31 5.314 2.718 4.361 211 HA3 GLY 31 HA3 GLY 31 5.814 4.000 5.465 212 H TYR 32 H TYR 32 4.827 1.056 5.775 213 HA TYR 32 HA TYR 32 2.716 1.531 7.844 214 HB2 TYR 32 HB2 TYR 32 2.118 0.586 5.417 215 HB3 TYR 32 HB3 TYR 32 2.667 -0.925 6.112 216 HD1 TYR 32 HD1 TYR 32 0.993 -2.240 7.223 217 HD2 TYR 32 HD2 TYR 32 0.462 2.033 6.866 218 HE1 TYR 32 HE1 TYR 32 -1.292 -2.433 8.198 219 HE2 TYR 32 HE2 TYR 32 -1.790 1.840 7.893 220 HH TYR 32 HH TYR 32 -3.341 0.437 8.846 221 H PHE 33 H PHE 33 2.357 -0.591 9.172 222 HA PHE 33 HA PHE 33 4.705 -1.174 10.665 223 HB2 PHE 33 HB2 PHE 33 2.417 -1.454 11.505 224 HB3 PHE 33 HB3 PHE 33 2.148 -2.756 10.337 225 HD1 PHE 33 HD1 PHE 33 4.671 -1.880 13.024 226 HD2 PHE 33 HD2 PHE 33 2.200 -4.916 11.206 227 HE1 PHE 33 HE1 PHE 33 5.472 -3.537 14.692 228 HE2 PHE 33 HE2 PHE 33 2.989 -6.563 12.888 229 HZ PHE 33 HZ PHE 33 4.630 -5.878 14.629 230 H LEU 34 H LEU 34 6.376 -2.396 10.253 231 HA LEU 34 HA LEU 34 7.870 -3.727 9.340 232 HB2 LEU 34 HB2 LEU 34 5.623 -5.659 8.753 233 HB3 LEU 34 HB3 LEU 34 7.330 -6.053 8.875 234 HG LEU 34 HG LEU 34 5.602 -5.047 11.166 235 HD11 LEU 34 HD11 LEU 34 4.981 -7.270 10.388 236 HD12 LEU 34 HD12 LEU 34 6.671 -7.812 10.521 237 HD13 LEU 34 HD13 LEU 34 5.758 -7.350 11.980 238 HD21 LEU 34 HD21 LEU 34 8.463 -6.088 11.161 239 HD22 LEU 34 HD22 LEU 34 7.944 -4.424 11.531 240 HD23 LEU 34 HD23 LEU 34 7.484 -5.746 12.606 241 H GLY 35 H GLY 35 5.808 -2.245 7.280 242 HA2 GLY 35 HA2 GLY 35 7.444 -2.711 4.888 243 HA3 GLY 35 HA3 GLY 35 5.886 -3.530 4.846 244 H ILE 36 H ILE 36 4.623 -2.449 3.480 245 HA ILE 36 HA ILE 36 4.210 0.467 3.742 246 HB ILE 36 HB ILE 36 6.001 0.534 2.275 247 HG12 ILE 36 HG12 ILE 36 3.609 0.489 0.401 248 HG13 ILE 36 HG13 ILE 36 3.899 1.754 1.568 249 HG21 ILE 36 HG21 ILE 36 6.197 -1.862 1.640 250 HG22 ILE 36 HG22 ILE 36 4.792 -1.669 0.569 251 HG23 ILE 36 HG23 ILE 36 6.301 -0.800 0.244 252 HD11 ILE 36 HD11 ILE 36 5.637 1.070 -0.810 253 HD12 ILE 36 HD12 ILE 36 4.691 2.537 -0.534 254 HD13 ILE 36 HD13 ILE 36 6.105 2.228 0.478 255 H CYS 37 H CYS 37 2.354 1.245 2.977 256 HA CYS 37 HA CYS 37 0.163 -0.645 2.267 257 HB2 CYS 37 HB2 CYS 37 -0.094 0.743 4.277 258 HB3 CYS 37 HB3 CYS 37 0.334 2.180 3.366 259 H CYS 38 H CYS 38 -0.630 -0.564 0.216 260 HA CYS 38 HA CYS 38 0.022 1.745 -1.587 261 HB2 CYS 38 HB2 CYS 38 -0.103 -1.194 -2.286 262 HB3 CYS 38 HB3 CYS 38 0.253 0.115 -3.400 263 H TYR 39 H TYR 39 -1.762 2.567 -2.640 264 HA TYR 39 HA TYR 39 -4.332 1.091 -2.376 265 HB2 TYR 39 HB2 TYR 39 -5.433 3.217 -1.669 266 HB3 TYR 39 HB3 TYR 39 -4.396 2.438 -0.508 267 HD1 TYR 39 HD1 TYR 39 -2.622 3.569 0.548 268 HD2 TYR 39 HD2 TYR 39 -4.617 5.326 -2.853 269 HE1 TYR 39 HE1 TYR 39 -1.562 5.762 1.062 270 HE2 TYR 39 HE2 TYR 39 -3.569 7.525 -2.323 271 HH TYR 39 HH TYR 39 -1.331 7.962 0.438 272 HA PRO 40 HA PRO 40 -6.739 1.894 -2.788 273 HB2 PRO 40 HB2 PRO 40 -8.486 0.805 -4.554 274 HB3 PRO 40 HB3 PRO 40 -8.253 2.570 -4.384 275 HG2 PRO 40 HG2 PRO 40 -6.949 0.711 -6.412 276 HG3 PRO 40 HG3 PRO 40 -7.837 2.238 -6.732 277 HD2 PRO 40 HD2 PRO 40 -5.131 2.197 -6.540 278 HD3 PRO 40 HD3 PRO 40 -6.079 3.551 -5.860 279 H VAL 41 H VAL 41 -7.706 -0.110 -2.103 280 HA VAL 41 HA VAL 41 -5.992 -2.362 -1.959 281 HB VAL 41 HB VAL 41 -7.645 -1.635 -0.263 282 HG11 VAL 41 HG11 VAL 41 -9.586 -1.148 -1.745 283 HG12 VAL 41 HG12 VAL 41 -9.795 -2.894 -1.996 284 HG13 VAL 41 HG13 VAL 41 -9.980 -2.195 -0.378 285 HG21 VAL 41 HG21 VAL 41 -7.965 -4.521 -1.147 286 HG22 VAL 41 HG22 VAL 41 -6.723 -3.848 -0.056 287 HG23 VAL 41 HG23 VAL 41 -8.414 -3.856 0.434 288 H ASP 42 H ASP 42 -5.945 -4.321 -2.984 289 HA ASP 42 HA ASP 42 -7.309 -4.542 -5.597 290 HB2 ASP 42 HB2 ASP 42 -4.880 -4.813 -5.496 291 HB3 ASP 42 HB3 ASP 42 -5.057 -6.162 -4.378 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -5.745 -11.972 0.003 2 H2 GLY 1 H2 GLY 1 -6.674 -10.936 0.868 3 H3 GLY 1 H3 GLY 1 -5.966 -12.211 1.609 4 HA2 GLY 1 HA2 GLY 1 -3.765 -11.317 1.192 5 HA3 GLY 1 HA3 GLY 1 -4.540 -9.927 0.408 6 H THR 2 H THR 2 -3.387 -8.616 1.971 7 HA THR 2 HA THR 2 -4.666 -8.490 4.685 8 HB THR 2 HB THR 2 -1.748 -7.990 3.992 9 HG1 THR 2 HG1 THR 2 -1.405 -9.851 5.203 10 HG21 THR 2 HG21 THR 2 -1.439 -7.893 6.459 11 HG22 THR 2 HG22 THR 2 -2.469 -6.580 5.885 12 HG23 THR 2 HG23 THR 2 -3.202 -7.992 6.679 13 H THR 3 H THR 3 -5.648 -6.574 5.075 14 HA THR 3 HA THR 3 -5.438 -4.386 3.203 15 HB THR 3 HB THR 3 -6.953 -3.365 5.232 16 HG1 THR 3 HG1 THR 3 -6.928 -5.087 6.591 17 HG21 THR 3 HG21 THR 3 -8.886 -4.280 3.980 18 HG22 THR 3 HG22 THR 3 -7.637 -3.528 2.964 19 HG23 THR 3 HG23 THR 3 -7.764 -5.306 3.051 20 H CYS 4 H CYS 4 -5.127 -2.243 3.668 21 HA CYS 4 HA CYS 4 -3.724 -1.499 6.139 22 HB2 CYS 4 HB2 CYS 4 -1.910 -0.436 5.063 23 HB3 CYS 4 HB3 CYS 4 -2.047 -2.013 4.319 24 H TYR 5 H TYR 5 -3.658 0.945 6.433 25 HA TYR 5 HA TYR 5 -5.780 2.407 4.943 26 HB2 TYR 5 HB2 TYR 5 -5.666 2.006 7.951 27 HB3 TYR 5 HB3 TYR 5 -6.464 3.381 7.223 28 HD1 TYR 5 HD1 TYR 5 -6.623 -0.303 7.634 29 HD2 TYR 5 HD2 TYR 5 -8.597 3.232 6.136 30 HE1 TYR 5 HE1 TYR 5 -8.779 -1.555 7.500 31 HE2 TYR 5 HE2 TYR 5 -10.748 1.987 6.028 32 HH TYR 5 HH TYR 5 -11.825 0.007 6.437 33 H CYS 6 H CYS 6 -5.269 4.455 4.479 34 HA CYS 6 HA CYS 6 -3.600 6.009 6.359 35 HB2 CYS 6 HB2 CYS 6 -2.583 5.035 3.768 36 HB3 CYS 6 HB3 CYS 6 -2.461 6.779 3.926 37 H GLY 7 H GLY 7 -4.309 8.088 6.557 38 HA2 GLY 7 HA2 GLY 7 -5.570 9.987 6.208 39 HA3 GLY 7 HA3 GLY 7 -5.167 9.788 4.499 40 H LYS 8 H LYS 8 -7.178 7.658 6.520 41 HA LYS 8 HA LYS 8 -9.172 6.663 6.194 42 HB2 LYS 8 HB2 LYS 8 -9.772 9.143 6.698 43 HB3 LYS 8 HB3 LYS 8 -10.314 9.188 5.018 44 HG2 LYS 8 HG2 LYS 8 -11.885 7.298 5.513 45 HG3 LYS 8 HG3 LYS 8 -11.285 7.250 7.178 46 HD2 LYS 8 HD2 LYS 8 -12.058 9.582 7.521 47 HD3 LYS 8 HD3 LYS 8 -12.686 9.633 5.871 48 HE2 LYS 8 HE2 LYS 8 -13.588 7.669 8.032 49 HE3 LYS 8 HE3 LYS 8 -14.402 9.191 7.668 50 HZ1 LYS 8 HZ1 LYS 8 -14.814 8.368 5.411 51 HZ2 LYS 8 HZ2 LYS 8 -14.089 6.942 5.753 52 HZ3 LYS 8 HZ3 LYS 8 -15.468 7.361 6.513 53 H THR 9 H THR 9 -7.233 6.670 3.941 54 HA THR 9 HA THR 9 -8.999 5.597 1.787 55 HB THR 9 HB THR 9 -6.100 6.504 1.521 56 HG1 THR 9 HG1 THR 9 -7.521 8.250 1.777 57 HG21 THR 9 HG21 THR 9 -8.182 5.615 -0.528 58 HG22 THR 9 HG22 THR 9 -6.587 6.306 -0.903 59 HG23 THR 9 HG23 THR 9 -6.695 4.744 -0.082 60 H ILE 10 H ILE 10 -9.189 3.509 2.065 61 HA ILE 10 HA ILE 10 -7.256 1.820 3.438 62 HB ILE 10 HB ILE 10 -9.702 1.526 3.559 63 HG12 ILE 10 HG12 ILE 10 -8.232 -0.875 2.395 64 HG13 ILE 10 HG13 ILE 10 -8.299 -0.369 4.089 65 HG21 ILE 10 HG21 ILE 10 -11.011 0.748 1.694 66 HG22 ILE 10 HG22 ILE 10 -10.152 2.208 1.201 67 HG23 ILE 10 HG23 ILE 10 -9.557 0.623 0.670 68 HD11 ILE 10 HD11 ILE 10 -10.562 -1.478 2.396 69 HD12 ILE 10 HD12 ILE 10 -9.847 -2.157 3.868 70 HD13 ILE 10 HD13 ILE 10 -10.830 -0.687 3.967 71 H GLY 11 H GLY 11 -5.954 0.220 2.536 72 HA2 GLY 11 HA2 GLY 11 -5.677 0.014 -0.417 73 HA3 GLY 11 HA3 GLY 11 -4.278 0.474 0.546 74 H ILE 12 H ILE 12 -3.575 -1.430 -0.629 75 HA ILE 12 HA ILE 12 -3.991 -3.981 0.825 76 HB ILE 12 HB ILE 12 -3.608 -3.289 -1.946 77 HG12 ILE 12 HG12 ILE 12 -5.167 -4.916 -1.207 78 HG13 ILE 12 HG13 ILE 12 -4.048 -5.582 -2.393 79 HG21 ILE 12 HG21 ILE 12 -1.292 -3.330 -1.817 80 HG22 ILE 12 HG22 ILE 12 -1.249 -4.875 -0.918 81 HG23 ILE 12 HG23 ILE 12 -1.816 -4.851 -2.582 82 HD11 ILE 12 HD11 ILE 12 -4.415 -7.292 -0.799 83 HD12 ILE 12 HD12 ILE 12 -2.783 -6.679 -0.472 84 HD13 ILE 12 HD13 ILE 12 -4.157 -6.199 0.558 85 H TYR 13 H TYR 13 -2.311 -4.924 1.876 86 HA TYR 13 HA TYR 13 0.009 -3.167 2.532 87 HB2 TYR 13 HB2 TYR 13 -1.183 -4.033 4.437 88 HB3 TYR 13 HB3 TYR 13 -1.066 -5.675 3.828 89 HD1 TYR 13 HD1 TYR 13 1.076 -2.774 4.869 90 HD2 TYR 13 HD2 TYR 13 0.760 -7.055 4.396 91 HE1 TYR 13 HE1 TYR 13 3.284 -3.065 5.992 92 HE2 TYR 13 HE2 TYR 13 2.969 -7.338 5.517 93 HH TYR 13 HH TYR 13 4.675 -4.584 6.961 94 H TRP 14 H TRP 14 1.974 -3.466 1.807 95 HA TRP 14 HA TRP 14 2.826 -6.113 0.688 96 HB2 TRP 14 HB2 TRP 14 3.504 -3.271 -0.072 97 HB3 TRP 14 HB3 TRP 14 4.504 -4.650 -0.542 98 HD1 TRP 14 HD1 TRP 14 1.278 -2.894 -1.358 99 HE1 TRP 14 HE1 TRP 14 0.252 -3.884 -3.519 100 HE3 TRP 14 HE3 TRP 14 4.411 -6.898 -2.004 101 HZ2 TRP 14 HZ2 TRP 14 0.742 -6.085 -5.280 102 HZ3 TRP 14 HZ3 TRP 14 4.111 -8.423 -3.944 103 HH2 TRP 14 HH2 TRP 14 2.282 -8.036 -5.580 104 H PHE 15 H PHE 15 4.585 -7.069 1.558 105 HA PHE 15 HA PHE 15 5.770 -5.881 4.004 106 HB2 PHE 15 HB2 PHE 15 4.784 -8.101 4.132 107 HB3 PHE 15 HB3 PHE 15 5.816 -8.677 2.830 108 HD1 PHE 15 HD1 PHE 15 8.160 -9.243 3.214 109 HD2 PHE 15 HD2 PHE 15 5.743 -7.600 6.385 110 HE1 PHE 15 HE1 PHE 15 9.926 -9.816 4.862 111 HE2 PHE 15 HE2 PHE 15 7.509 -8.165 8.025 112 HZ PHE 15 HZ PHE 15 9.608 -9.275 7.271 113 H GLY 16 H GLY 16 7.848 -5.293 4.227 114 HA2 GLY 16 HA2 GLY 16 10.064 -4.943 3.932 115 HA3 GLY 16 HA3 GLY 16 10.067 -6.456 3.040 116 H THR 17 H THR 17 8.301 -4.967 0.940 117 HA THR 17 HA THR 17 10.439 -4.535 -0.865 118 HB THR 17 HB THR 17 8.297 -5.533 -1.465 119 HG1 THR 17 HG1 THR 17 9.454 -4.662 -3.141 120 HG21 THR 17 HG21 THR 17 6.709 -4.220 -0.193 121 HG22 THR 17 HG22 THR 17 7.125 -2.755 -1.096 122 HG23 THR 17 HG23 THR 17 6.322 -4.102 -1.920 123 H LYS 18 H LYS 18 8.893 -2.209 1.125 124 HA LYS 18 HA LYS 18 9.090 0.004 1.486 125 HB2 LYS 18 HB2 LYS 18 11.480 -0.767 1.475 126 HB3 LYS 18 HB3 LYS 18 11.629 -0.125 -0.163 127 HG2 LYS 18 HG2 LYS 18 11.167 2.149 0.647 128 HG3 LYS 18 HG3 LYS 18 10.805 1.528 2.264 129 HD2 LYS 18 HD2 LYS 18 13.014 2.512 2.245 130 HD3 LYS 18 HD3 LYS 18 13.154 0.767 2.499 131 HE2 LYS 18 HE2 LYS 18 13.729 0.461 0.100 132 HE3 LYS 18 HE3 LYS 18 13.538 2.198 -0.175 133 HZ1 LYS 18 HZ1 LYS 18 15.559 0.972 1.631 134 HZ2 LYS 18 HZ2 LYS 18 15.868 1.599 0.157 135 HZ3 LYS 18 HZ3 LYS 18 15.386 2.577 1.371 136 H THR 19 H THR 19 8.989 -0.804 -1.879 137 HA THR 19 HA THR 19 7.581 1.784 -2.420 138 HB THR 19 HB THR 19 9.835 1.615 -3.531 139 HG1 THR 19 HG1 THR 19 8.993 2.444 -5.428 140 HG21 THR 19 HG21 THR 19 8.429 -0.417 -5.332 141 HG22 THR 19 HG22 THR 19 10.052 0.274 -5.553 142 HG23 THR 19 HG23 THR 19 9.732 -0.808 -4.187 143 H CYS 20 H CYS 20 5.993 1.627 -4.249 144 HA CYS 20 HA CYS 20 4.451 -0.890 -3.968 145 HB2 CYS 20 HB2 CYS 20 3.639 1.846 -4.971 146 HB3 CYS 20 HB3 CYS 20 2.577 0.436 -4.928 147 HA PRO 21 HA PRO 21 5.672 -1.993 -8.129 148 HB2 PRO 21 HB2 PRO 21 4.044 -4.146 -8.571 149 HB3 PRO 21 HB3 PRO 21 5.417 -4.190 -7.417 150 HG2 PRO 21 HG2 PRO 21 2.487 -3.707 -6.816 151 HG3 PRO 21 HG3 PRO 21 3.606 -4.811 -5.971 152 HD2 PRO 21 HD2 PRO 21 3.073 -2.353 -4.985 153 HD3 PRO 21 HD3 PRO 21 4.704 -3.078 -4.861 154 H SER 22 H SER 22 5.262 -0.851 -9.806 155 HA SER 22 HA SER 22 3.029 0.683 -10.359 156 HB2 SER 22 HB2 SER 22 4.963 -0.473 -12.411 157 HB3 SER 22 HB3 SER 22 4.042 1.034 -12.520 158 HG SER 22 HG SER 22 6.213 1.409 -11.879 159 H ASN 23 H ASN 23 3.596 -2.658 -11.328 160 HA ASN 23 HA ASN 23 1.652 -2.741 -13.444 161 HB2 ASN 23 HB2 ASN 23 2.914 -5.047 -11.899 162 HB3 ASN 23 HB3 ASN 23 2.173 -5.114 -13.499 163 HD21 ASN 23 HD21 ASN 23 3.255 -3.531 -15.180 164 HD22 ASN 23 HD22 ASN 23 5.008 -3.489 -15.093 165 H ARG 24 H ARG 24 1.067 -2.643 -10.119 166 HA ARG 24 HA ARG 24 -1.598 -4.012 -10.353 167 HB2 ARG 24 HB2 ARG 24 0.166 -3.161 -8.066 168 HB3 ARG 24 HB3 ARG 24 -1.573 -3.205 -7.827 169 HG2 ARG 24 HG2 ARG 24 -0.680 -5.237 -7.037 170 HG3 ARG 24 HG3 ARG 24 -1.662 -5.583 -8.447 171 HD2 ARG 24 HD2 ARG 24 1.376 -5.351 -8.566 172 HD3 ARG 24 HD3 ARG 24 0.538 -6.849 -8.137 173 HE ARG 24 HE ARG 24 -0.345 -5.624 -10.656 174 HH11 ARG 24 HH11 ARG 24 1.841 -8.018 -9.319 175 HH12 ARG 24 HH12 ARG 24 2.029 -8.815 -10.857 176 HH21 ARG 24 HH21 ARG 24 -0.036 -6.632 -12.548 177 HH22 ARG 24 HH22 ARG 24 0.958 -8.063 -12.644 178 H GLY 25 H GLY 25 -0.322 -0.931 -10.884 179 HA2 GLY 25 HA2 GLY 25 -1.450 0.909 -11.672 180 HA3 GLY 25 HA3 GLY 25 -2.974 0.042 -11.479 181 H TYR 26 H TYR 26 -0.722 0.676 -8.809 182 HA TYR 26 HA TYR 26 -2.755 1.815 -7.156 183 HB2 TYR 26 HB2 TYR 26 0.270 1.751 -6.905 184 HB3 TYR 26 HB3 TYR 26 -0.812 2.279 -5.615 185 HD1 TYR 26 HD1 TYR 26 1.167 -0.398 -6.498 186 HD2 TYR 26 HD2 TYR 26 -2.931 0.425 -5.370 187 HE1 TYR 26 HE1 TYR 26 0.896 -2.722 -5.676 188 HE2 TYR 26 HE2 TYR 26 -3.195 -1.927 -4.636 189 HH TYR 26 HH TYR 26 -2.226 -4.000 -4.566 190 H THR 27 H THR 27 -3.117 3.880 -6.400 191 HA THR 27 HA THR 27 -2.128 6.118 -8.120 192 HB THR 27 HB THR 27 -4.110 7.336 -7.376 193 HG1 THR 27 HG1 THR 27 -5.667 6.282 -6.170 194 HG21 THR 27 HG21 THR 27 -4.878 4.567 -8.404 195 HG22 THR 27 HG22 THR 27 -5.809 6.071 -8.570 196 HG23 THR 27 HG23 THR 27 -4.258 5.896 -9.409 197 H GLY 28 H GLY 28 -1.826 4.872 -4.920 198 HA2 GLY 28 HA2 GLY 28 0.078 6.916 -4.229 199 HA3 GLY 28 HA3 GLY 28 -1.414 7.131 -3.322 200 H SER 29 H SER 29 0.673 6.753 -1.810 201 HA SER 29 HA SER 29 0.435 4.073 -0.650 202 HB2 SER 29 HB2 SER 29 2.761 3.498 -0.867 203 HB3 SER 29 HB3 SER 29 2.075 3.787 -2.476 204 HG SER 29 HG SER 29 3.079 5.805 -2.522 205 H CYS 30 H CYS 30 1.701 3.786 1.331 206 HA CYS 30 HA CYS 30 3.119 6.054 2.444 207 HB2 CYS 30 HB2 CYS 30 1.799 6.426 4.402 208 HB3 CYS 30 HB3 CYS 30 0.700 6.544 3.027 209 H GLY 31 H GLY 31 4.574 5.490 4.107 210 HA2 GLY 31 HA2 GLY 31 5.386 2.750 4.257 211 HA3 GLY 31 HA3 GLY 31 5.941 4.047 5.316 212 H TYR 32 H TYR 32 4.902 1.123 5.703 213 HA TYR 32 HA TYR 32 2.852 1.661 7.814 214 HB2 TYR 32 HB2 TYR 32 2.141 0.778 5.438 215 HB3 TYR 32 HB3 TYR 32 2.763 -0.757 6.009 216 HD1 TYR 32 HD1 TYR 32 1.274 -2.151 7.316 217 HD2 TYR 32 HD2 TYR 32 0.446 2.060 6.862 218 HE1 TYR 32 HE1 TYR 32 -0.972 -2.477 8.344 219 HE2 TYR 32 HE2 TYR 32 -1.773 1.741 7.940 220 HH TYR 32 HH TYR 32 -3.221 0.252 8.929 221 H PHE 33 H PHE 33 2.503 -0.511 9.126 222 HA PHE 33 HA PHE 33 4.851 -1.029 10.620 223 HB2 PHE 33 HB2 PHE 33 2.535 -1.386 11.400 224 HB3 PHE 33 HB3 PHE 33 2.376 -2.733 10.265 225 HD1 PHE 33 HD1 PHE 33 4.770 -1.638 12.989 226 HD2 PHE 33 HD2 PHE 33 2.502 -4.856 11.221 227 HE1 PHE 33 HE1 PHE 33 5.599 -3.190 14.741 228 HE2 PHE 33 HE2 PHE 33 3.317 -6.397 12.987 229 HZ PHE 33 HZ PHE 33 4.872 -5.570 14.745 230 H LEU 34 H LEU 34 6.587 -2.206 10.206 231 HA LEU 34 HA LEU 34 8.109 -3.507 9.268 232 HB2 LEU 34 HB2 LEU 34 5.911 -5.534 8.835 233 HB3 LEU 34 HB3 LEU 34 7.633 -5.862 8.966 234 HG LEU 34 HG LEU 34 5.889 -4.788 11.223 235 HD11 LEU 34 HD11 LEU 34 5.315 -7.056 10.539 236 HD12 LEU 34 HD12 LEU 34 7.017 -7.554 10.685 237 HD13 LEU 34 HD13 LEU 34 6.101 -7.053 12.130 238 HD21 LEU 34 HD21 LEU 34 8.231 -4.101 11.516 239 HD22 LEU 34 HD22 LEU 34 7.801 -5.368 12.670 240 HD23 LEU 34 HD23 LEU 34 8.772 -5.774 11.235 241 H GLY 35 H GLY 35 6.044 -2.101 7.252 242 HA2 GLY 35 HA2 GLY 35 7.494 -2.707 4.779 243 HA3 GLY 35 HA3 GLY 35 5.920 -3.493 4.867 244 H ILE 36 H ILE 36 4.665 -2.427 3.460 245 HA ILE 36 HA ILE 36 4.265 0.492 3.701 246 HB ILE 36 HB ILE 36 6.042 0.533 2.212 247 HG12 ILE 36 HG12 ILE 36 3.632 0.500 0.361 248 HG13 ILE 36 HG13 ILE 36 3.925 1.760 1.533 249 HG21 ILE 36 HG21 ILE 36 6.198 -1.872 1.582 250 HG22 ILE 36 HG22 ILE 36 4.783 -1.654 0.528 251 HG23 ILE 36 HG23 ILE 36 6.299 -0.815 0.178 252 HD11 ILE 36 HD11 ILE 36 6.134 2.236 0.439 253 HD12 ILE 36 HD12 ILE 36 5.664 1.082 -0.846 254 HD13 ILE 36 HD13 ILE 36 4.720 2.552 -0.571 255 H CYS 37 H CYS 37 2.392 1.259 2.982 256 HA CYS 37 HA CYS 37 0.198 -0.638 2.292 257 HB2 CYS 37 HB2 CYS 37 -0.051 0.735 4.305 258 HB3 CYS 37 HB3 CYS 37 0.366 2.182 3.403 259 H CYS 38 H CYS 38 -0.591 -0.564 0.239 260 HA CYS 38 HA CYS 38 0.045 1.741 -1.573 261 HB2 CYS 38 HB2 CYS 38 -0.089 -1.202 -2.248 262 HB3 CYS 38 HB3 CYS 38 0.246 0.095 -3.381 263 H TYR 39 H TYR 39 -1.745 2.561 -2.625 264 HA TYR 39 HA TYR 39 -4.308 1.078 -2.378 265 HB2 TYR 39 HB2 TYR 39 -5.424 3.199 -1.666 266 HB3 TYR 39 HB3 TYR 39 -4.405 2.405 -0.501 267 HD1 TYR 39 HD1 TYR 39 -2.588 3.498 0.549 268 HD2 TYR 39 HD2 TYR 39 -4.628 5.335 -2.784 269 HE1 TYR 39 HE1 TYR 39 -1.550 5.694 1.120 270 HE2 TYR 39 HE2 TYR 39 -3.619 7.530 -2.188 271 HH TYR 39 HH TYR 39 -2.242 8.672 -0.751 272 HA PRO 40 HA PRO 40 -6.736 1.932 -2.821 273 HB2 PRO 40 HB2 PRO 40 -8.441 0.827 -4.626 274 HB3 PRO 40 HB3 PRO 40 -8.220 2.592 -4.447 275 HG2 PRO 40 HG2 PRO 40 -6.858 0.745 -6.447 276 HG3 PRO 40 HG3 PRO 40 -7.748 2.268 -6.785 277 HD2 PRO 40 HD2 PRO 40 -5.051 2.261 -6.536 278 HD3 PRO 40 HD3 PRO 40 -6.026 3.589 -5.844 279 H VAL 41 H VAL 41 -7.711 -0.050 -2.120 280 HA VAL 41 HA VAL 41 -6.000 -2.315 -1.947 281 HB VAL 41 HB VAL 41 -7.616 -1.569 -0.233 282 HG11 VAL 41 HG11 VAL 41 -9.961 -2.092 -0.309 283 HG12 VAL 41 HG12 VAL 41 -9.570 -1.045 -1.679 284 HG13 VAL 41 HG13 VAL 41 -9.815 -2.787 -1.933 285 HG21 VAL 41 HG21 VAL 41 -6.728 -3.816 -0.061 286 HG22 VAL 41 HG22 VAL 41 -8.399 -3.767 0.495 287 HG23 VAL 41 HG23 VAL 41 -8.032 -4.448 -1.100 288 H ASP 42 H ASP 42 -5.956 -4.279 -2.969 289 HA ASP 42 HA ASP 42 -7.230 -4.521 -5.585 290 HB2 ASP 42 HB2 ASP 42 -4.898 -5.191 -5.212 291 HB3 ASP 42 HB3 ASP 42 -5.423 -6.428 -4.072 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -5.607 -12.575 1.463 2 H2 GLY 1 H2 GLY 1 -6.563 -11.860 2.585 3 H3 GLY 1 H3 GLY 1 -5.030 -12.297 2.970 4 HA2 GLY 1 HA2 GLY 1 -4.112 -10.682 1.438 5 HA3 GLY 1 HA3 GLY 1 -5.768 -10.228 0.998 6 H THR 2 H THR 2 -3.216 -9.169 2.731 7 HA THR 2 HA THR 2 -4.631 -8.301 5.176 8 HB THR 2 HB THR 2 -1.758 -7.841 4.309 9 HG1 THR 2 HG1 THR 2 -1.345 -9.574 5.691 10 HG21 THR 2 HG21 THR 2 -3.115 -7.621 7.040 11 HG22 THR 2 HG22 THR 2 -1.366 -7.496 6.741 12 HG23 THR 2 HG23 THR 2 -2.457 -6.271 6.089 13 H THR 3 H THR 3 -5.748 -6.427 5.252 14 HA THR 3 HA THR 3 -5.507 -4.364 3.244 15 HB THR 3 HB THR 3 -7.047 -3.247 5.223 16 HG1 THR 3 HG1 THR 3 -8.322 -4.892 6.072 17 HG21 THR 3 HG21 THR 3 -7.706 -3.471 2.947 18 HG22 THR 3 HG22 THR 3 -7.837 -5.245 3.082 19 HG23 THR 3 HG23 THR 3 -8.974 -4.189 3.960 20 H CYS 4 H CYS 4 -5.261 -2.153 3.676 21 HA CYS 4 HA CYS 4 -3.825 -1.373 6.114 22 HB2 CYS 4 HB2 CYS 4 -2.044 -0.284 5.013 23 HB3 CYS 4 HB3 CYS 4 -2.149 -1.869 4.257 24 H TYR 5 H TYR 5 -3.734 1.076 6.364 25 HA TYR 5 HA TYR 5 -5.942 2.498 4.965 26 HB2 TYR 5 HB2 TYR 5 -5.607 2.232 7.974 27 HB3 TYR 5 HB3 TYR 5 -6.683 3.382 7.182 28 HD1 TYR 5 HD1 TYR 5 -6.141 -0.187 8.003 29 HD2 TYR 5 HD2 TYR 5 -8.787 2.681 6.160 30 HE1 TYR 5 HE1 TYR 5 -7.975 -1.877 8.000 31 HE2 TYR 5 HE2 TYR 5 -10.626 1.004 6.193 32 HH TYR 5 HH TYR 5 -11.253 -1.128 6.765 33 H CYS 6 H CYS 6 -5.431 4.539 4.436 34 HA CYS 6 HA CYS 6 -3.759 6.137 6.279 35 HB2 CYS 6 HB2 CYS 6 -2.745 5.132 3.695 36 HB3 CYS 6 HB3 CYS 6 -2.628 6.877 3.836 37 H GLY 7 H GLY 7 -4.474 8.210 6.448 38 HA2 GLY 7 HA2 GLY 7 -5.711 10.115 6.062 39 HA3 GLY 7 HA3 GLY 7 -5.301 9.883 4.359 40 H LYS 8 H LYS 8 -7.338 7.781 6.370 41 HA LYS 8 HA LYS 8 -9.366 6.830 6.067 42 HB2 LYS 8 HB2 LYS 8 -10.274 9.485 4.927 43 HB3 LYS 8 HB3 LYS 8 -11.300 8.184 5.534 44 HG2 LYS 8 HG2 LYS 8 -10.270 8.440 7.796 45 HG3 LYS 8 HG3 LYS 8 -9.343 9.830 7.191 46 HD2 LYS 8 HD2 LYS 8 -11.488 10.953 6.566 47 HD3 LYS 8 HD3 LYS 8 -12.391 9.617 7.287 48 HE2 LYS 8 HE2 LYS 8 -10.415 11.420 8.764 49 HE3 LYS 8 HE3 LYS 8 -12.165 11.645 8.750 50 HZ1 LYS 8 HZ1 LYS 8 -10.769 9.272 9.864 51 HZ2 LYS 8 HZ2 LYS 8 -11.483 10.451 10.730 52 HZ3 LYS 8 HZ3 LYS 8 -12.396 9.461 9.811 53 H THR 9 H THR 9 -7.390 6.742 3.847 54 HA THR 9 HA THR 9 -9.154 5.619 1.717 55 HB THR 9 HB THR 9 -6.272 6.566 1.434 56 HG1 THR 9 HG1 THR 9 -7.197 8.213 0.235 57 HG21 THR 9 HG21 THR 9 -6.803 4.732 -0.113 58 HG22 THR 9 HG22 THR 9 -8.309 5.542 -0.600 59 HG23 THR 9 HG23 THR 9 -6.731 6.262 -0.993 60 H ILE 10 H ILE 10 -9.344 3.545 2.041 61 HA ILE 10 HA ILE 10 -7.391 1.883 3.412 62 HB ILE 10 HB ILE 10 -9.819 1.589 3.626 63 HG12 ILE 10 HG12 ILE 10 -8.445 -0.847 2.415 64 HG13 ILE 10 HG13 ILE 10 -8.382 -0.316 4.101 65 HG21 ILE 10 HG21 ILE 10 -10.368 2.236 1.279 66 HG22 ILE 10 HG22 ILE 10 -9.782 0.649 0.740 67 HG23 ILE 10 HG23 ILE 10 -11.199 0.777 1.814 68 HD11 ILE 10 HD11 ILE 10 -9.966 -2.087 4.004 69 HD12 ILE 10 HD12 ILE 10 -10.909 -0.599 4.187 70 HD13 ILE 10 HD13 ILE 10 -10.791 -1.394 2.599 71 H GLY 11 H GLY 11 -6.139 0.229 2.522 72 HA2 GLY 11 HA2 GLY 11 -5.924 -0.078 -0.421 73 HA3 GLY 11 HA3 GLY 11 -4.507 0.454 0.478 74 H ILE 12 H ILE 12 -3.671 -1.436 -0.531 75 HA ILE 12 HA ILE 12 -4.075 -3.967 0.965 76 HB ILE 12 HB ILE 12 -3.715 -3.343 -1.819 77 HG12 ILE 12 HG12 ILE 12 -5.239 -4.972 -1.028 78 HG13 ILE 12 HG13 ILE 12 -4.124 -5.657 -2.205 79 HG21 ILE 12 HG21 ILE 12 -1.888 -4.890 -2.427 80 HG22 ILE 12 HG22 ILE 12 -1.394 -3.339 -1.702 81 HG23 ILE 12 HG23 ILE 12 -1.326 -4.869 -0.769 82 HD11 ILE 12 HD11 ILE 12 -2.824 -6.688 -0.276 83 HD12 ILE 12 HD12 ILE 12 -4.176 -6.180 0.770 84 HD13 ILE 12 HD13 ILE 12 -4.461 -7.320 -0.541 85 H TYR 13 H TYR 13 -2.356 -4.890 2.022 86 HA TYR 13 HA TYR 13 -0.038 -3.086 2.602 87 HB2 TYR 13 HB2 TYR 13 -1.223 -3.872 4.555 88 HB3 TYR 13 HB3 TYR 13 -1.101 -5.536 4.010 89 HD1 TYR 13 HD1 TYR 13 1.095 -2.605 4.937 90 HD2 TYR 13 HD2 TYR 13 0.641 -6.896 4.745 91 HE1 TYR 13 HE1 TYR 13 3.207 -2.897 6.236 92 HE2 TYR 13 HE2 TYR 13 2.741 -7.173 6.048 93 HH TYR 13 HH TYR 13 4.551 -4.401 7.358 94 H TRP 14 H TRP 14 1.911 -3.436 1.853 95 HA TRP 14 HA TRP 14 2.643 -6.094 0.657 96 HB2 TRP 14 HB2 TRP 14 3.419 -3.261 -0.022 97 HB3 TRP 14 HB3 TRP 14 4.401 -4.631 -0.517 98 HD1 TRP 14 HD1 TRP 14 1.167 -2.878 -1.321 99 HE1 TRP 14 HE1 TRP 14 0.121 -3.883 -3.457 100 HE3 TRP 14 HE3 TRP 14 4.288 -6.893 -1.969 101 HZ2 TRP 14 HZ2 TRP 14 0.545 -6.126 -5.171 102 HZ3 TRP 14 HZ3 TRP 14 3.931 -8.458 -3.868 103 HH2 TRP 14 HH2 TRP 14 2.065 -8.096 -5.465 104 H PHE 15 H PHE 15 3.909 -7.261 1.892 105 HA PHE 15 HA PHE 15 5.471 -6.115 4.111 106 HB2 PHE 15 HB2 PHE 15 4.121 -8.129 4.446 107 HB3 PHE 15 HB3 PHE 15 4.969 -8.954 3.150 108 HD1 PHE 15 HD1 PHE 15 7.072 -10.060 3.532 109 HD2 PHE 15 HD2 PHE 15 5.386 -7.507 6.570 110 HE1 PHE 15 HE1 PHE 15 8.773 -10.862 5.155 111 HE2 PHE 15 HE2 PHE 15 7.083 -8.310 8.187 112 HZ PHE 15 HZ PHE 15 8.785 -9.987 7.484 113 H GLY 16 H GLY 16 7.707 -6.119 4.303 114 HA2 GLY 16 HA2 GLY 16 9.918 -6.401 3.793 115 HA3 GLY 16 HA3 GLY 16 9.439 -7.762 2.777 116 H THR 17 H THR 17 8.234 -4.569 1.968 117 HA THR 17 HA THR 17 10.370 -4.047 0.009 118 HB THR 17 HB THR 17 8.487 -5.162 -1.251 119 HG1 THR 17 HG1 THR 17 8.463 -3.498 -2.800 120 HG21 THR 17 HG21 THR 17 6.444 -4.079 -1.662 121 HG22 THR 17 HG22 THR 17 6.603 -4.180 0.105 122 HG23 THR 17 HG23 THR 17 6.922 -2.647 -0.741 123 H LYS 18 H LYS 18 10.391 -1.888 -0.671 124 HA LYS 18 HA LYS 18 9.472 0.103 1.390 125 HB2 LYS 18 HB2 LYS 18 11.885 0.153 -0.466 126 HB3 LYS 18 HB3 LYS 18 11.412 1.458 0.628 127 HG2 LYS 18 HG2 LYS 18 11.597 -0.125 2.563 128 HG3 LYS 18 HG3 LYS 18 12.214 -1.366 1.465 129 HD2 LYS 18 HD2 LYS 18 13.525 1.340 1.985 130 HD3 LYS 18 HD3 LYS 18 14.000 -0.194 2.729 131 HE2 LYS 18 HE2 LYS 18 14.492 -1.132 0.470 132 HE3 LYS 18 HE3 LYS 18 14.076 0.425 -0.259 133 HZ1 LYS 18 HZ1 LYS 18 15.900 1.431 1.008 134 HZ2 LYS 18 HZ2 LYS 18 16.286 -0.008 1.680 135 HZ3 LYS 18 HZ3 LYS 18 16.470 0.222 0.075 136 H THR 19 H THR 19 8.867 -0.828 -1.777 137 HA THR 19 HA THR 19 7.475 1.734 -2.366 138 HB THR 19 HB THR 19 9.710 1.645 -3.543 139 HG1 THR 19 HG1 THR 19 8.783 2.449 -5.412 140 HG21 THR 19 HG21 THR 19 9.658 -0.779 -4.205 141 HG22 THR 19 HG22 THR 19 8.314 -0.420 -5.312 142 HG23 THR 19 HG23 THR 19 9.909 0.319 -5.573 143 H CYS 20 H CYS 20 5.846 1.542 -4.077 144 HA CYS 20 HA CYS 20 4.379 -1.014 -3.863 145 HB2 CYS 20 HB2 CYS 20 3.573 1.674 -5.018 146 HB3 CYS 20 HB3 CYS 20 2.527 0.258 -4.917 147 HA PRO 21 HA PRO 21 5.715 -2.211 -7.991 148 HB2 PRO 21 HB2 PRO 21 3.883 -4.181 -8.524 149 HB3 PRO 21 HB3 PRO 21 5.243 -4.380 -7.378 150 HG2 PRO 21 HG2 PRO 21 2.371 -3.667 -6.749 151 HG3 PRO 21 HG3 PRO 21 3.394 -4.887 -5.940 152 HD2 PRO 21 HD2 PRO 21 3.058 -2.429 -4.892 153 HD3 PRO 21 HD3 PRO 21 4.635 -3.271 -4.783 154 H SER 22 H SER 22 5.374 -0.546 -9.371 155 HA SER 22 HA SER 22 3.022 0.943 -9.610 156 HB2 SER 22 HB2 SER 22 5.382 1.608 -10.199 157 HB3 SER 22 HB3 SER 22 5.196 0.738 -11.730 158 HG SER 22 HG SER 22 3.496 2.166 -12.266 159 H ASN 23 H ASN 23 3.981 -1.857 -11.541 160 HA ASN 23 HA ASN 23 1.998 -1.555 -13.614 161 HB2 ASN 23 HB2 ASN 23 3.601 -3.969 -12.664 162 HB3 ASN 23 HB3 ASN 23 2.594 -3.948 -14.106 163 HD21 ASN 23 HD21 ASN 23 5.762 -3.392 -13.016 164 HD22 ASN 23 HD22 ASN 23 6.302 -2.484 -14.419 165 H ARG 24 H ARG 24 1.530 -2.357 -10.336 166 HA ARG 24 HA ARG 24 -0.824 -4.073 -10.729 167 HB2 ARG 24 HB2 ARG 24 0.928 -3.945 -8.729 168 HB3 ARG 24 HB3 ARG 24 -0.112 -2.641 -8.179 169 HG2 ARG 24 HG2 ARG 24 -1.259 -4.291 -7.131 170 HG3 ARG 24 HG3 ARG 24 -1.988 -4.615 -8.697 171 HD2 ARG 24 HD2 ARG 24 -0.178 -6.293 -9.140 172 HD3 ARG 24 HD3 ARG 24 0.485 -5.961 -7.531 173 HE ARG 24 HE ARG 24 -2.285 -6.611 -7.239 174 HH11 ARG 24 HH11 ARG 24 0.652 -8.361 -8.065 175 HH12 ARG 24 HH12 ARG 24 0.004 -9.849 -7.425 176 HH21 ARG 24 HH21 ARG 24 -3.003 -8.379 -6.523 177 HH22 ARG 24 HH22 ARG 24 -2.073 -9.884 -6.542 178 H GLY 25 H GLY 25 -0.308 -0.723 -10.998 179 HA2 GLY 25 HA2 GLY 25 -1.856 0.827 -11.738 180 HA3 GLY 25 HA3 GLY 25 -3.176 -0.278 -11.368 181 H TYR 26 H TYR 26 -0.855 0.572 -8.837 182 HA TYR 26 HA TYR 26 -2.912 1.698 -7.163 183 HB2 TYR 26 HB2 TYR 26 0.116 1.693 -6.879 184 HB3 TYR 26 HB3 TYR 26 -1.001 2.225 -5.627 185 HD1 TYR 26 HD1 TYR 26 1.014 -0.463 -6.456 186 HD2 TYR 26 HD2 TYR 26 -3.074 0.385 -5.316 187 HE1 TYR 26 HE1 TYR 26 0.749 -2.772 -5.576 188 HE2 TYR 26 HE2 TYR 26 -3.329 -1.948 -4.511 189 HH TYR 26 HH TYR 26 -2.366 -4.000 -4.370 190 H THR 27 H THR 27 -3.180 3.779 -6.365 191 HA THR 27 HA THR 27 -2.240 5.977 -8.172 192 HB THR 27 HB THR 27 -4.709 5.380 -8.037 193 HG1 THR 27 HG1 THR 27 -3.832 8.016 -7.483 194 HG21 THR 27 HG21 THR 27 -4.640 7.020 -5.467 195 HG22 THR 27 HG22 THR 27 -6.047 6.312 -6.283 196 HG23 THR 27 HG23 THR 27 -4.849 5.262 -5.510 197 H GLY 28 H GLY 28 -1.897 4.798 -4.967 198 HA2 GLY 28 HA2 GLY 28 -0.044 6.873 -4.273 199 HA3 GLY 28 HA3 GLY 28 -1.557 7.099 -3.402 200 H SER 29 H SER 29 0.569 6.735 -1.886 201 HA SER 29 HA SER 29 0.291 4.081 -0.662 202 HB2 SER 29 HB2 SER 29 2.638 3.517 -0.890 203 HB3 SER 29 HB3 SER 29 1.910 3.758 -2.491 204 HG SER 29 HG SER 29 3.942 4.795 -2.349 205 H CYS 30 H CYS 30 1.544 3.821 1.321 206 HA CYS 30 HA CYS 30 2.974 6.104 2.400 207 HB2 CYS 30 HB2 CYS 30 1.670 6.472 4.368 208 HB3 CYS 30 HB3 CYS 30 0.586 6.606 2.983 209 H GLY 31 H GLY 31 4.547 5.509 3.914 210 HA2 GLY 31 HA2 GLY 31 5.253 2.725 4.022 211 HA3 GLY 31 HA3 GLY 31 6.049 4.030 4.895 212 H TYR 32 H TYR 32 4.944 1.187 5.604 213 HA TYR 32 HA TYR 32 3.632 1.981 8.156 214 HB2 TYR 32 HB2 TYR 32 2.463 0.560 6.058 215 HB3 TYR 32 HB3 TYR 32 2.982 -0.718 7.120 216 HD1 TYR 32 HD1 TYR 32 2.416 1.191 9.757 217 HD2 TYR 32 HD2 TYR 32 0.182 -0.065 6.284 218 HE1 TYR 32 HE1 TYR 32 0.307 1.521 10.998 219 HE2 TYR 32 HE2 TYR 32 -1.957 0.321 7.541 220 HH TYR 32 HH TYR 32 -1.981 1.438 10.935 221 H PHE 33 H PHE 33 3.641 -0.483 9.438 222 HA PHE 33 HA PHE 33 6.420 -0.774 10.281 223 HB2 PHE 33 HB2 PHE 33 4.472 -0.927 11.809 224 HB3 PHE 33 HB3 PHE 33 3.919 -2.353 10.929 225 HD1 PHE 33 HD1 PHE 33 7.168 -1.206 12.512 226 HD2 PHE 33 HD2 PHE 33 4.219 -4.334 12.116 227 HE1 PHE 33 HE1 PHE 33 8.468 -2.636 14.070 228 HE2 PHE 33 HE2 PHE 33 5.512 -5.747 13.692 229 HZ PHE 33 HZ PHE 33 7.641 -4.905 14.666 230 H LEU 34 H LEU 34 7.864 -2.255 9.607 231 HA LEU 34 HA LEU 34 8.941 -3.749 8.344 232 HB2 LEU 34 HB2 LEU 34 6.518 -5.495 8.812 233 HB3 LEU 34 HB3 LEU 34 8.140 -6.048 8.408 234 HG LEU 34 HG LEU 34 7.381 -4.611 10.980 235 HD11 LEU 34 HD11 LEU 34 7.670 -6.810 12.009 236 HD12 LEU 34 HD12 LEU 34 6.408 -6.843 10.762 237 HD13 LEU 34 HD13 LEU 34 8.015 -7.525 10.413 238 HD21 LEU 34 HD21 LEU 34 9.605 -5.337 11.779 239 HD22 LEU 34 HD22 LEU 34 9.997 -5.931 10.148 240 HD23 LEU 34 HD23 LEU 34 9.735 -4.194 10.441 241 H GLY 35 H GLY 35 6.551 -2.251 6.906 242 HA2 GLY 35 HA2 GLY 35 7.210 -3.025 4.173 243 HA3 GLY 35 HA3 GLY 35 5.664 -3.672 4.727 244 H ILE 36 H ILE 36 4.568 -2.483 3.182 245 HA ILE 36 HA ILE 36 4.172 0.419 3.691 246 HB ILE 36 HB ILE 36 5.900 0.536 2.154 247 HG12 ILE 36 HG12 ILE 36 3.461 0.624 0.335 248 HG13 ILE 36 HG13 ILE 36 3.819 1.832 1.547 249 HG21 ILE 36 HG21 ILE 36 4.597 -1.494 0.312 250 HG22 ILE 36 HG22 ILE 36 6.175 -0.711 0.113 251 HG23 ILE 36 HG23 ILE 36 5.945 -1.871 1.407 252 HD11 ILE 36 HD11 ILE 36 6.067 2.195 0.386 253 HD12 ILE 36 HD12 ILE 36 5.442 1.143 -0.917 254 HD13 ILE 36 HD13 ILE 36 4.633 2.671 -0.540 255 H CYS 37 H CYS 37 2.289 1.284 2.999 256 HA CYS 37 HA CYS 37 0.084 -0.575 2.285 257 HB2 CYS 37 HB2 CYS 37 -0.160 0.820 4.283 258 HB3 CYS 37 HB3 CYS 37 0.303 2.246 3.389 259 H CYS 38 H CYS 38 -0.734 -0.517 0.267 260 HA CYS 38 HA CYS 38 -0.114 1.750 -1.594 261 HB2 CYS 38 HB2 CYS 38 -0.224 -1.202 -2.224 262 HB3 CYS 38 HB3 CYS 38 0.117 0.083 -3.370 263 H TYR 39 H TYR 39 -1.913 2.531 -2.652 264 HA TYR 39 HA TYR 39 -4.470 1.042 -2.367 265 HB2 TYR 39 HB2 TYR 39 -5.586 3.169 -1.662 266 HB3 TYR 39 HB3 TYR 39 -4.560 2.384 -0.500 267 HD1 TYR 39 HD1 TYR 39 -2.741 3.478 0.536 268 HD2 TYR 39 HD2 TYR 39 -4.791 5.302 -2.793 269 HE1 TYR 39 HE1 TYR 39 -1.687 5.671 1.086 270 HE2 TYR 39 HE2 TYR 39 -3.758 7.496 -2.226 271 HH TYR 39 HH TYR 39 -2.369 8.639 -0.804 272 HA PRO 40 HA PRO 40 -6.909 1.845 -2.794 273 HB2 PRO 40 HB2 PRO 40 -8.613 0.727 -4.588 274 HB3 PRO 40 HB3 PRO 40 -8.412 2.498 -4.418 275 HG2 PRO 40 HG2 PRO 40 -7.034 0.659 -6.417 276 HG3 PRO 40 HG3 PRO 40 -7.954 2.164 -6.758 277 HD2 PRO 40 HD2 PRO 40 -5.257 2.208 -6.523 278 HD3 PRO 40 HD3 PRO 40 -6.254 3.521 -5.836 279 H VAL 41 H VAL 41 -7.889 -0.198 -2.160 280 HA VAL 41 HA VAL 41 -6.100 -2.367 -1.906 281 HB VAL 41 HB VAL 41 -7.909 -1.710 -0.339 282 HG11 VAL 41 HG11 VAL 41 -10.195 -2.424 -0.621 283 HG12 VAL 41 HG12 VAL 41 -9.761 -1.361 -1.966 284 HG13 VAL 41 HG13 VAL 41 -9.842 -3.118 -2.214 285 HG21 VAL 41 HG21 VAL 41 -8.587 -3.954 0.357 286 HG22 VAL 41 HG22 VAL 41 -8.016 -4.625 -1.182 287 HG23 VAL 41 HG23 VAL 41 -6.875 -3.868 -0.036 288 H ASP 42 H ASP 42 -5.990 -4.395 -2.806 289 HA ASP 42 HA ASP 42 -7.259 -4.788 -5.483 290 HB2 ASP 42 HB2 ASP 42 -4.959 -4.036 -5.689 291 HB3 ASP 42 HB3 ASP 42 -4.406 -5.289 -4.585 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -5.234 -11.737 -0.146 2 H2 GLY 1 H2 GLY 1 -6.178 -10.655 0.643 3 H3 GLY 1 H3 GLY 1 -5.724 -12.041 1.388 4 HA2 GLY 1 HA2 GLY 1 -3.406 -11.370 1.360 5 HA3 GLY 1 HA3 GLY 1 -3.909 -9.861 0.580 6 H THR 2 H THR 2 -3.233 -8.482 2.215 7 HA THR 2 HA THR 2 -4.760 -8.536 4.792 8 HB THR 2 HB THR 2 -1.797 -7.914 4.483 9 HG1 THR 2 HG1 THR 2 -3.102 -10.129 5.688 10 HG21 THR 2 HG21 THR 2 -2.742 -6.647 6.343 11 HG22 THR 2 HG22 THR 2 -3.564 -8.096 6.963 12 HG23 THR 2 HG23 THR 2 -1.788 -7.990 6.977 13 H THR 3 H THR 3 -5.621 -6.567 5.365 14 HA THR 3 HA THR 3 -5.474 -4.413 3.451 15 HB THR 3 HB THR 3 -6.949 -3.400 5.531 16 HG1 THR 3 HG1 THR 3 -8.188 -5.097 6.334 17 HG21 THR 3 HG21 THR 3 -7.786 -5.296 3.315 18 HG22 THR 3 HG22 THR 3 -8.907 -4.294 4.271 19 HG23 THR 3 HG23 THR 3 -7.670 -3.519 3.261 20 H CYS 4 H CYS 4 -5.160 -2.263 3.872 21 HA CYS 4 HA CYS 4 -3.674 -1.473 6.288 22 HB2 CYS 4 HB2 CYS 4 -1.917 -0.443 5.162 23 HB3 CYS 4 HB3 CYS 4 -2.084 -2.001 4.378 24 H TYR 5 H TYR 5 -3.557 1.009 6.490 25 HA TYR 5 HA TYR 5 -5.814 2.397 5.129 26 HB2 TYR 5 HB2 TYR 5 -5.404 2.314 8.141 27 HB3 TYR 5 HB3 TYR 5 -6.502 3.389 7.298 28 HD1 TYR 5 HD1 TYR 5 -5.893 -0.136 8.290 29 HD2 TYR 5 HD2 TYR 5 -8.643 2.640 6.456 30 HE1 TYR 5 HE1 TYR 5 -7.716 -1.821 8.478 31 HE2 TYR 5 HE2 TYR 5 -10.474 0.961 6.675 32 HH TYR 5 HH TYR 5 -9.936 -2.272 8.126 33 H CYS 6 H CYS 6 -5.320 4.395 4.472 34 HA CYS 6 HA CYS 6 -3.511 6.098 6.084 35 HB2 CYS 6 HB2 CYS 6 -2.785 4.962 3.421 36 HB3 CYS 6 HB3 CYS 6 -2.486 6.680 3.614 37 H GLY 7 H GLY 7 -4.175 8.206 6.104 38 HA2 GLY 7 HA2 GLY 7 -5.334 10.130 5.565 39 HA3 GLY 7 HA3 GLY 7 -4.926 9.718 3.897 40 H LYS 8 H LYS 8 -7.159 8.158 6.206 41 HA LYS 8 HA LYS 8 -9.276 7.359 6.038 42 HB2 LYS 8 HB2 LYS 8 -9.875 9.829 4.389 43 HB3 LYS 8 HB3 LYS 8 -11.042 8.808 5.231 44 HG2 LYS 8 HG2 LYS 8 -9.995 9.407 7.412 45 HG3 LYS 8 HG3 LYS 8 -8.880 10.495 6.560 46 HD2 LYS 8 HD2 LYS 8 -10.827 11.798 5.693 47 HD3 LYS 8 HD3 LYS 8 -11.922 10.701 6.539 48 HE2 LYS 8 HE2 LYS 8 -11.743 12.649 7.888 49 HE3 LYS 8 HE3 LYS 8 -10.868 11.360 8.718 50 HZ1 LYS 8 HZ1 LYS 8 -8.790 12.332 7.880 51 HZ2 LYS 8 HZ2 LYS 8 -9.607 13.500 7.075 52 HZ3 LYS 8 HZ3 LYS 8 -9.627 13.460 8.705 53 H THR 9 H THR 9 -7.333 6.627 3.888 54 HA THR 9 HA THR 9 -9.231 5.415 1.929 55 HB THR 9 HB THR 9 -6.344 6.227 1.383 56 HG1 THR 9 HG1 THR 9 -7.659 8.039 1.535 57 HG21 THR 9 HG21 THR 9 -6.974 5.797 -0.966 58 HG22 THR 9 HG22 THR 9 -7.101 4.330 0.012 59 HG23 THR 9 HG23 THR 9 -8.572 5.219 -0.442 60 H ILE 10 H ILE 10 -9.417 3.354 2.372 61 HA ILE 10 HA ILE 10 -7.381 1.748 3.712 62 HB ILE 10 HB ILE 10 -9.789 1.448 4.084 63 HG12 ILE 10 HG12 ILE 10 -8.479 -1.020 2.862 64 HG13 ILE 10 HG13 ILE 10 -8.308 -0.439 4.523 65 HG21 ILE 10 HG21 ILE 10 -9.923 0.416 1.232 66 HG22 ILE 10 HG22 ILE 10 -11.271 0.567 2.387 67 HG23 ILE 10 HG23 ILE 10 -10.489 2.016 1.757 68 HD11 ILE 10 HD11 ILE 10 -10.804 -1.572 3.224 69 HD12 ILE 10 HD12 ILE 10 -9.886 -2.210 4.597 70 HD13 ILE 10 HD13 ILE 10 -10.824 -0.720 4.786 71 H GLY 11 H GLY 11 -6.135 0.113 2.800 72 HA2 GLY 11 HA2 GLY 11 -5.994 -0.169 -0.163 73 HA3 GLY 11 HA3 GLY 11 -4.591 0.376 0.747 74 H ILE 12 H ILE 12 -3.789 -1.506 -0.400 75 HA ILE 12 HA ILE 12 -4.081 -4.078 1.044 76 HB ILE 12 HB ILE 12 -3.775 -3.372 -1.746 77 HG12 ILE 12 HG12 ILE 12 -5.311 -5.019 -0.949 78 HG13 ILE 12 HG13 ILE 12 -4.227 -5.669 -2.175 79 HG21 ILE 12 HG21 ILE 12 -1.431 -3.433 -1.626 80 HG22 ILE 12 HG22 ILE 12 -1.420 -5.014 -0.799 81 HG23 ILE 12 HG23 ILE 12 -2.001 -4.888 -2.461 82 HD11 ILE 12 HD11 ILE 12 -4.199 -6.291 0.778 83 HD12 ILE 12 HD12 ILE 12 -4.556 -7.379 -0.560 84 HD13 ILE 12 HD13 ILE 12 -2.899 -6.791 -0.334 85 H TYR 13 H TYR 13 -2.363 -4.969 2.046 86 HA TYR 13 HA TYR 13 -0.050 -3.166 2.617 87 HB2 TYR 13 HB2 TYR 13 -1.224 -3.984 4.571 88 HB3 TYR 13 HB3 TYR 13 -1.086 -5.641 4.008 89 HD1 TYR 13 HD1 TYR 13 1.303 -2.744 4.542 90 HD2 TYR 13 HD2 TYR 13 0.438 -6.930 5.168 91 HE1 TYR 13 HE1 TYR 13 3.500 -3.034 5.686 92 HE2 TYR 13 HE2 TYR 13 2.611 -7.205 6.330 93 HH TYR 13 HH TYR 13 4.518 -6.207 7.021 94 H TRP 14 H TRP 14 1.891 -3.472 1.801 95 HA TRP 14 HA TRP 14 2.671 -6.134 0.668 96 HB2 TRP 14 HB2 TRP 14 3.494 -3.316 -0.053 97 HB3 TRP 14 HB3 TRP 14 4.389 -4.740 -0.559 98 HD1 TRP 14 HD1 TRP 14 1.197 -2.836 -1.296 99 HE1 TRP 14 HE1 TRP 14 0.077 -3.789 -3.419 100 HE3 TRP 14 HE3 TRP 14 4.189 -6.931 -2.042 101 HZ2 TRP 14 HZ2 TRP 14 0.413 -6.031 -5.161 102 HZ3 TRP 14 HZ3 TRP 14 3.767 -8.456 -3.960 103 HH2 TRP 14 HH2 TRP 14 1.883 -8.024 -5.520 104 H PHE 15 H PHE 15 4.066 -7.242 1.812 105 HA PHE 15 HA PHE 15 5.738 -5.945 3.903 106 HB2 PHE 15 HB2 PHE 15 4.310 -7.747 4.662 107 HB3 PHE 15 HB3 PHE 15 4.896 -8.812 3.397 108 HD1 PHE 15 HD1 PHE 15 6.225 -10.539 4.218 109 HD2 PHE 15 HD2 PHE 15 6.558 -6.640 6.037 110 HE1 PHE 15 HE1 PHE 15 7.982 -11.394 5.746 111 HE2 PHE 15 HE2 PHE 15 8.311 -7.498 7.557 112 HZ PHE 15 HZ PHE 15 9.029 -9.877 7.419 113 H GLY 16 H GLY 16 7.956 -6.196 3.991 114 HA2 GLY 16 HA2 GLY 16 10.104 -6.726 3.357 115 HA3 GLY 16 HA3 GLY 16 9.450 -7.992 2.317 116 H THR 17 H THR 17 8.436 -4.671 1.791 117 HA THR 17 HA THR 17 10.450 -4.152 -0.271 118 HB THR 17 HB THR 17 8.513 -5.251 -1.440 119 HG1 THR 17 HG1 THR 17 8.502 -3.631 -3.026 120 HG21 THR 17 HG21 THR 17 6.676 -4.187 -0.042 121 HG22 THR 17 HG22 THR 17 6.993 -2.696 -0.962 122 HG23 THR 17 HG23 THR 17 6.465 -4.157 -1.804 123 H LYS 18 H LYS 18 10.470 -1.969 -0.904 124 HA LYS 18 HA LYS 18 9.771 -0.067 1.312 125 HB2 LYS 18 HB2 LYS 18 12.170 -0.617 0.823 126 HB3 LYS 18 HB3 LYS 18 11.975 0.080 -0.788 127 HG2 LYS 18 HG2 LYS 18 11.547 2.300 0.199 128 HG3 LYS 18 HG3 LYS 18 11.541 1.599 1.824 129 HD2 LYS 18 HD2 LYS 18 13.647 2.719 1.433 130 HD3 LYS 18 HD3 LYS 18 13.931 0.977 1.563 131 HE2 LYS 18 HE2 LYS 18 14.038 0.810 -0.918 132 HE3 LYS 18 HE3 LYS 18 13.703 2.542 -1.054 133 HZ1 LYS 18 HZ1 LYS 18 16.102 1.366 0.252 134 HZ2 LYS 18 HZ2 LYS 18 16.082 2.078 -1.214 135 HZ3 LYS 18 HZ3 LYS 18 15.796 2.968 0.122 136 H THR 19 H THR 19 9.091 -0.707 -1.987 137 HA THR 19 HA THR 19 7.702 1.916 -2.291 138 HB THR 19 HB THR 19 9.905 1.860 -3.541 139 HG1 THR 19 HG1 THR 19 8.947 2.862 -5.290 140 HG21 THR 19 HG21 THR 19 8.373 0.005 -5.427 141 HG22 THR 19 HG22 THR 19 9.982 0.714 -5.689 142 HG23 THR 19 HG23 THR 19 9.746 -0.492 -4.412 143 H CYS 20 H CYS 20 6.039 1.881 -4.024 144 HA CYS 20 HA CYS 20 4.487 -0.609 -3.827 145 HB2 CYS 20 HB2 CYS 20 3.600 1.899 -3.658 146 HB3 CYS 20 HB3 CYS 20 3.543 1.769 -5.402 147 HA PRO 21 HA PRO 21 5.942 -1.993 -7.825 148 HB2 PRO 21 HB2 PRO 21 4.038 -3.925 -8.393 149 HB3 PRO 21 HB3 PRO 21 5.400 -4.137 -7.251 150 HG2 PRO 21 HG2 PRO 21 2.536 -3.412 -6.631 151 HG3 PRO 21 HG3 PRO 21 3.595 -4.574 -5.773 152 HD2 PRO 21 HD2 PRO 21 3.139 -2.075 -4.857 153 HD3 PRO 21 HD3 PRO 21 4.719 -2.870 -4.656 154 H SER 22 H SER 22 5.854 -0.799 -9.510 155 HA SER 22 HA SER 22 3.940 1.115 -10.036 156 HB2 SER 22 HB2 SER 22 5.929 -0.024 -12.034 157 HB3 SER 22 HB3 SER 22 5.261 1.615 -11.996 158 HG SER 22 HG SER 22 6.366 1.986 -10.051 159 H ASN 23 H ASN 23 4.057 -2.113 -11.470 160 HA ASN 23 HA ASN 23 2.230 -1.417 -13.656 161 HB2 ASN 23 HB2 ASN 23 3.478 -4.052 -12.787 162 HB3 ASN 23 HB3 ASN 23 2.536 -3.824 -14.257 163 HD21 ASN 23 HD21 ASN 23 5.650 -4.149 -13.352 164 HD22 ASN 23 HD22 ASN 23 6.394 -3.118 -14.565 165 H ARG 24 H ARG 24 1.605 -2.066 -10.441 166 HA ARG 24 HA ARG 24 -0.767 -3.787 -10.768 167 HB2 ARG 24 HB2 ARG 24 0.624 -2.516 -8.421 168 HB3 ARG 24 HB3 ARG 24 -0.875 -3.428 -8.271 169 HG2 ARG 24 HG2 ARG 24 1.041 -4.921 -9.950 170 HG3 ARG 24 HG3 ARG 24 1.777 -4.466 -8.429 171 HD2 ARG 24 HD2 ARG 24 0.764 -6.608 -8.188 172 HD3 ARG 24 HD3 ARG 24 -0.108 -5.429 -7.202 173 HE ARG 24 HE ARG 24 -1.064 -6.580 -9.806 174 HH11 ARG 24 HH11 ARG 24 -1.975 -5.139 -6.679 175 HH12 ARG 24 HH12 ARG 24 -3.650 -5.631 -6.959 176 HH21 ARG 24 HH21 ARG 24 -3.286 -7.045 -9.939 177 HH22 ARG 24 HH22 ARG 24 -4.295 -6.590 -8.565 178 H GLY 25 H GLY 25 -0.329 -0.448 -11.082 179 HA2 GLY 25 HA2 GLY 25 -1.915 1.092 -11.755 180 HA3 GLY 25 HA3 GLY 25 -3.192 -0.087 -11.454 181 H TYR 26 H TYR 26 -0.984 0.712 -8.834 182 HA TYR 26 HA TYR 26 -3.122 1.643 -7.160 183 HB2 TYR 26 HB2 TYR 26 -0.105 1.703 -6.800 184 HB3 TYR 26 HB3 TYR 26 -1.257 2.119 -5.538 185 HD1 TYR 26 HD1 TYR 26 0.863 -0.426 -6.442 186 HD2 TYR 26 HD2 TYR 26 -3.276 0.220 -5.365 187 HE1 TYR 26 HE1 TYR 26 0.623 -2.823 -5.789 188 HE2 TYR 26 HE2 TYR 26 -3.480 -2.153 -4.689 189 HH TYR 26 HH TYR 26 -2.426 -4.181 -4.542 190 H THR 27 H THR 27 -3.626 3.676 -6.361 191 HA THR 27 HA THR 27 -2.826 5.975 -8.067 192 HB THR 27 HB THR 27 -4.676 7.159 -6.980 193 HG1 THR 27 HG1 THR 27 -6.026 6.046 -5.590 194 HG21 THR 27 HG21 THR 27 -5.130 5.799 -9.015 195 HG22 THR 27 HG22 THR 27 -5.560 4.416 -7.985 196 HG23 THR 27 HG23 THR 27 -6.532 5.902 -7.937 197 H GLY 28 H GLY 28 -2.063 4.661 -4.976 198 HA2 GLY 28 HA2 GLY 28 0.055 6.516 -4.587 199 HA3 GLY 28 HA3 GLY 28 -1.269 6.952 -3.509 200 H SER 29 H SER 29 0.960 6.368 -2.294 201 HA SER 29 HA SER 29 0.354 3.965 -0.779 202 HB2 SER 29 HB2 SER 29 2.550 2.924 -1.001 203 HB3 SER 29 HB3 SER 29 1.719 2.989 -2.554 204 HG SER 29 HG SER 29 2.987 4.830 -3.090 205 H CYS 30 H CYS 30 1.693 3.722 1.141 206 HA CYS 30 HA CYS 30 3.227 6.052 2.110 207 HB2 CYS 30 HB2 CYS 30 1.795 6.236 4.126 208 HB3 CYS 30 HB3 CYS 30 0.902 6.654 2.660 209 H GLY 31 H GLY 31 4.724 5.500 3.714 210 HA2 GLY 31 HA2 GLY 31 5.467 2.754 3.973 211 HA3 GLY 31 HA3 GLY 31 6.092 4.077 4.956 212 H TYR 32 H TYR 32 5.031 1.202 5.524 213 HA TYR 32 HA TYR 32 3.033 1.874 7.650 214 HB2 TYR 32 HB2 TYR 32 2.339 0.738 5.355 215 HB3 TYR 32 HB3 TYR 32 2.964 -0.715 6.110 216 HD1 TYR 32 HD1 TYR 32 1.300 -2.029 7.210 217 HD2 TYR 32 HD2 TYR 32 0.755 2.243 6.888 218 HE1 TYR 32 HE1 TYR 32 -0.977 -2.236 8.198 219 HE2 TYR 32 HE2 TYR 32 -1.493 2.036 7.919 220 HH TYR 32 HH TYR 32 -3.033 0.622 8.870 221 H PHE 33 H PHE 33 2.801 -0.167 9.193 222 HA PHE 33 HA PHE 33 5.328 -0.477 10.508 223 HB2 PHE 33 HB2 PHE 33 3.116 -0.633 11.618 224 HB3 PHE 33 HB3 PHE 33 2.827 -2.156 10.764 225 HD1 PHE 33 HD1 PHE 33 5.543 -0.609 12.902 226 HD2 PHE 33 HD2 PHE 33 3.139 -4.092 12.050 227 HE1 PHE 33 HE1 PHE 33 6.663 -1.837 14.745 228 HE2 PHE 33 HE2 PHE 33 4.249 -5.307 13.908 229 HZ PHE 33 HZ PHE 33 6.018 -4.187 15.252 230 H LEU 34 H LEU 34 6.967 -1.735 10.046 231 HA LEU 34 HA LEU 34 8.352 -3.199 9.154 232 HB2 LEU 34 HB2 LEU 34 6.088 -5.196 9.223 233 HB3 LEU 34 HB3 LEU 34 7.805 -5.565 9.171 234 HG LEU 34 HG LEU 34 6.395 -4.171 11.485 235 HD11 LEU 34 HD11 LEU 34 7.425 -7.009 11.163 236 HD12 LEU 34 HD12 LEU 34 6.714 -6.307 12.641 237 HD13 LEU 34 HD13 LEU 34 5.722 -6.495 11.181 238 HD21 LEU 34 HD21 LEU 34 9.250 -5.208 11.237 239 HD22 LEU 34 HD22 LEU 34 8.754 -3.504 11.391 240 HD23 LEU 34 HD23 LEU 34 8.482 -4.620 12.731 241 H GLY 35 H GLY 35 6.059 -2.028 7.208 242 HA2 GLY 35 HA2 GLY 35 7.434 -2.840 4.732 243 HA3 GLY 35 HA3 GLY 35 5.824 -3.529 4.919 244 H ILE 36 H ILE 36 4.751 -2.480 3.322 245 HA ILE 36 HA ILE 36 4.326 0.451 3.588 246 HB ILE 36 HB ILE 36 6.055 0.492 2.054 247 HG12 ILE 36 HG12 ILE 36 3.596 0.430 0.251 248 HG13 ILE 36 HG13 ILE 36 3.911 1.712 1.393 249 HG21 ILE 36 HG21 ILE 36 4.789 -1.644 0.317 250 HG22 ILE 36 HG22 ILE 36 6.359 -0.849 0.103 251 HG23 ILE 36 HG23 ILE 36 6.123 -1.952 1.447 252 HD11 ILE 36 HD11 ILE 36 5.615 0.968 -0.991 253 HD12 ILE 36 HD12 ILE 36 4.666 2.435 -0.765 254 HD13 ILE 36 HD13 ILE 36 6.102 2.165 0.239 255 H CYS 37 H CYS 37 2.418 1.222 2.969 256 HA CYS 37 HA CYS 37 0.213 -0.699 2.378 257 HB2 CYS 37 HB2 CYS 37 -0.044 0.499 4.422 258 HB3 CYS 37 HB3 CYS 37 0.461 2.004 3.702 259 H CYS 38 H CYS 38 -0.685 -0.601 0.402 260 HA CYS 38 HA CYS 38 -0.240 1.736 -1.426 261 HB2 CYS 38 HB2 CYS 38 -0.290 -1.249 -1.967 262 HB3 CYS 38 HB3 CYS 38 -0.385 -0.027 -3.220 263 H TYR 39 H TYR 39 -2.060 2.381 -2.671 264 HA TYR 39 HA TYR 39 -4.603 0.946 -2.194 265 HB2 TYR 39 HB2 TYR 39 -5.696 3.173 -1.621 266 HB3 TYR 39 HB3 TYR 39 -4.748 2.367 -0.399 267 HD1 TYR 39 HD1 TYR 39 -2.881 3.391 0.636 268 HD2 TYR 39 HD2 TYR 39 -4.714 5.195 -2.833 269 HE1 TYR 39 HE1 TYR 39 -1.566 5.472 1.025 270 HE2 TYR 39 HE2 TYR 39 -3.442 7.296 -2.405 271 HH TYR 39 HH TYR 39 -1.121 7.611 0.305 272 HA PRO 40 HA PRO 40 -7.024 1.755 -2.635 273 HB2 PRO 40 HB2 PRO 40 -8.766 0.598 -4.372 274 HB3 PRO 40 HB3 PRO 40 -8.553 2.369 -4.243 275 HG2 PRO 40 HG2 PRO 40 -7.232 0.480 -6.231 276 HG3 PRO 40 HG3 PRO 40 -8.134 1.992 -6.582 277 HD2 PRO 40 HD2 PRO 40 -5.429 1.985 -6.398 278 HD3 PRO 40 HD3 PRO 40 -6.386 3.338 -5.728 279 H VAL 41 H VAL 41 -7.991 -0.251 -1.905 280 HA VAL 41 HA VAL 41 -6.238 -2.484 -1.723 281 HB VAL 41 HB VAL 41 -7.917 -1.783 -0.039 282 HG11 VAL 41 HG11 VAL 41 -10.018 -3.112 -1.784 283 HG12 VAL 41 HG12 VAL 41 -10.236 -2.415 -0.168 284 HG13 VAL 41 HG13 VAL 41 -9.862 -1.359 -1.536 285 HG21 VAL 41 HG21 VAL 41 -8.615 -4.022 0.670 286 HG22 VAL 41 HG22 VAL 41 -8.162 -4.680 -0.913 287 HG23 VAL 41 HG23 VAL 41 -6.928 -3.977 0.167 288 H ASP 42 H ASP 42 -6.135 -4.435 -2.768 289 HA ASP 42 HA ASP 42 -7.030 -4.534 -5.490 290 HB2 ASP 42 HB2 ASP 42 -4.879 -5.437 -4.656 291 HB3 ASP 42 HB3 ASP 42 -5.750 -6.715 -3.811 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -1.634 -11.993 2.228 2 H2 GLY 1 H2 GLY 1 -0.565 -11.718 3.435 3 H3 GLY 1 H3 GLY 1 -0.080 -11.614 1.872 4 HA2 GLY 1 HA2 GLY 1 -0.335 -9.406 2.798 5 HA3 GLY 1 HA3 GLY 1 -1.479 -9.704 1.479 6 H THR 2 H THR 2 -1.972 -7.706 3.303 7 HA THR 2 HA THR 2 -4.561 -8.522 4.378 8 HB THR 2 HB THR 2 -2.860 -8.981 6.223 9 HG1 THR 2 HG1 THR 2 -4.924 -8.825 6.825 10 HG21 THR 2 HG21 THR 2 -1.443 -6.993 5.998 11 HG22 THR 2 HG22 THR 2 -2.791 -5.959 6.509 12 HG23 THR 2 HG23 THR 2 -2.119 -7.165 7.620 13 H THR 3 H THR 3 -5.648 -6.403 5.421 14 HA THR 3 HA THR 3 -5.476 -4.326 3.393 15 HB THR 3 HB THR 3 -7.127 -3.312 5.374 16 HG1 THR 3 HG1 THR 3 -8.442 -5.027 5.990 17 HG21 THR 3 HG21 THR 3 -7.625 -3.348 3.045 18 HG22 THR 3 HG22 THR 3 -7.736 -5.126 3.018 19 HG23 THR 3 HG23 THR 3 -8.952 -4.166 3.895 20 H CYS 4 H CYS 4 -5.149 -2.174 3.704 21 HA CYS 4 HA CYS 4 -3.742 -1.305 6.154 22 HB2 CYS 4 HB2 CYS 4 -1.939 -0.351 5.036 23 HB3 CYS 4 HB3 CYS 4 -2.108 -1.941 4.314 24 H TYR 5 H TYR 5 -3.717 1.110 6.431 25 HA TYR 5 HA TYR 5 -5.875 2.513 4.910 26 HB2 TYR 5 HB2 TYR 5 -5.665 2.349 7.937 27 HB3 TYR 5 HB3 TYR 5 -6.729 3.432 7.057 28 HD1 TYR 5 HD1 TYR 5 -6.094 -0.117 7.948 29 HD2 TYR 5 HD2 TYR 5 -8.811 2.677 6.093 30 HE1 TYR 5 HE1 TYR 5 -7.891 -1.850 7.957 31 HE2 TYR 5 HE2 TYR 5 -10.610 0.959 6.139 32 HH TYR 5 HH TYR 5 -11.191 -1.181 6.736 33 H CYS 6 H CYS 6 -5.339 4.520 4.297 34 HA CYS 6 HA CYS 6 -3.728 6.210 6.117 35 HB2 CYS 6 HB2 CYS 6 -2.697 5.121 3.552 36 HB3 CYS 6 HB3 CYS 6 -2.488 6.853 3.740 37 H GLY 7 H GLY 7 -4.422 8.292 6.162 38 HA2 GLY 7 HA2 GLY 7 -5.630 10.188 5.649 39 HA3 GLY 7 HA3 GLY 7 -5.179 9.866 3.972 40 H LYS 8 H LYS 8 -7.321 7.972 6.103 41 HA LYS 8 HA LYS 8 -9.336 7.007 5.797 42 HB2 LYS 8 HB2 LYS 8 -9.878 9.532 6.051 43 HB3 LYS 8 HB3 LYS 8 -10.326 9.455 4.344 44 HG2 LYS 8 HG2 LYS 8 -11.996 7.669 4.904 45 HG3 LYS 8 HG3 LYS 8 -11.498 7.751 6.600 46 HD2 LYS 8 HD2 LYS 8 -12.211 10.118 6.701 47 HD3 LYS 8 HD3 LYS 8 -12.705 10.067 5.006 48 HE2 LYS 8 HE2 LYS 8 -13.860 8.298 7.215 49 HE3 LYS 8 HE3 LYS 8 -14.573 9.824 6.689 50 HZ1 LYS 8 HZ1 LYS 8 -14.211 7.442 4.952 51 HZ2 LYS 8 HZ2 LYS 8 -15.626 7.963 5.571 52 HZ3 LYS 8 HZ3 LYS 8 -14.844 8.869 4.464 53 H THR 9 H THR 9 -7.314 6.725 3.648 54 HA THR 9 HA THR 9 -9.041 5.559 1.511 55 HB THR 9 HB THR 9 -6.128 6.389 1.199 56 HG1 THR 9 HG1 THR 9 -7.450 8.211 1.453 57 HG21 THR 9 HG21 THR 9 -6.894 4.627 -0.351 58 HG22 THR 9 HG22 THR 9 -8.311 5.605 -0.793 59 HG23 THR 9 HG23 THR 9 -6.675 6.162 -1.206 60 H ILE 10 H ILE 10 -9.251 3.491 1.902 61 HA ILE 10 HA ILE 10 -7.318 1.862 3.344 62 HB ILE 10 HB ILE 10 -9.750 1.576 3.536 63 HG12 ILE 10 HG12 ILE 10 -8.364 -0.897 2.408 64 HG13 ILE 10 HG13 ILE 10 -8.309 -0.320 4.078 65 HG21 ILE 10 HG21 ILE 10 -11.103 0.715 1.729 66 HG22 ILE 10 HG22 ILE 10 -10.253 2.149 1.151 67 HG23 ILE 10 HG23 ILE 10 -9.669 0.537 0.685 68 HD11 ILE 10 HD11 ILE 10 -10.851 -0.578 4.136 69 HD12 ILE 10 HD12 ILE 10 -10.704 -1.439 2.586 70 HD13 ILE 10 HD13 ILE 10 -9.910 -2.074 4.035 71 H GLY 11 H GLY 11 -6.050 0.205 2.521 72 HA2 GLY 11 HA2 GLY 11 -5.728 -0.124 -0.413 73 HA3 GLY 11 HA3 GLY 11 -4.359 0.400 0.551 74 H ILE 12 H ILE 12 -3.550 -1.502 -0.494 75 HA ILE 12 HA ILE 12 -3.965 -4.018 1.016 76 HB ILE 12 HB ILE 12 -3.705 -3.430 -1.769 77 HG12 ILE 12 HG12 ILE 12 -5.169 -5.068 -0.917 78 HG13 ILE 12 HG13 ILE 12 -4.083 -5.756 -2.117 79 HG21 ILE 12 HG21 ILE 12 -1.892 -4.881 -2.494 80 HG22 ILE 12 HG22 ILE 12 -1.370 -3.371 -1.722 81 HG23 ILE 12 HG23 ILE 12 -1.254 -4.932 -0.851 82 HD11 ILE 12 HD11 ILE 12 -2.702 -6.777 -0.288 83 HD12 ILE 12 HD12 ILE 12 -3.922 -6.212 0.878 84 HD13 ILE 12 HD13 ILE 12 -4.368 -7.379 -0.366 85 H TYR 13 H TYR 13 -2.271 -4.927 2.086 86 HA TYR 13 HA TYR 13 0.053 -3.146 2.629 87 HB2 TYR 13 HB2 TYR 13 -1.173 -3.943 4.571 88 HB3 TYR 13 HB3 TYR 13 -0.952 -5.610 4.062 89 HD1 TYR 13 HD1 TYR 13 1.271 -2.594 4.543 90 HD2 TYR 13 HD2 TYR 13 0.635 -6.799 5.301 91 HE1 TYR 13 HE1 TYR 13 3.423 -2.703 5.776 92 HE2 TYR 13 HE2 TYR 13 2.754 -6.882 6.592 93 HH TYR 13 HH TYR 13 4.569 -5.736 7.317 94 H TRP 14 H TRP 14 1.951 -3.442 1.807 95 HA TRP 14 HA TRP 14 2.780 -6.105 0.704 96 HB2 TRP 14 HB2 TRP 14 3.526 -3.285 -0.087 97 HB3 TRP 14 HB3 TRP 14 4.480 -4.676 -0.546 98 HD1 TRP 14 HD1 TRP 14 1.260 -2.922 -1.363 99 HE1 TRP 14 HE1 TRP 14 0.135 -4.011 -3.403 100 HE3 TRP 14 HE3 TRP 14 4.314 -6.993 -1.876 101 HZ2 TRP 14 HZ2 TRP 14 0.509 -6.377 -5.031 102 HZ3 TRP 14 HZ3 TRP 14 3.908 -8.653 -3.680 103 HH2 TRP 14 HH2 TRP 14 2.009 -8.359 -5.253 104 H PHE 15 H PHE 15 4.096 -7.184 1.947 105 HA PHE 15 HA PHE 15 5.867 -5.815 3.909 106 HB2 PHE 15 HB2 PHE 15 4.406 -7.491 4.844 107 HB3 PHE 15 HB3 PHE 15 4.894 -8.672 3.638 108 HD1 PHE 15 HD1 PHE 15 6.408 -10.313 4.327 109 HD2 PHE 15 HD2 PHE 15 6.545 -6.433 6.216 110 HE1 PHE 15 HE1 PHE 15 8.229 -11.099 5.820 111 HE2 PHE 15 HE2 PHE 15 8.380 -7.226 7.691 112 HZ PHE 15 HZ PHE 15 9.219 -9.556 7.501 113 H GLY 16 H GLY 16 8.076 -6.157 3.957 114 HA2 GLY 16 HA2 GLY 16 10.186 -6.799 3.272 115 HA3 GLY 16 HA3 GLY 16 9.457 -8.039 2.248 116 H THR 17 H THR 17 8.497 -4.703 1.759 117 HA THR 17 HA THR 17 10.484 -4.186 -0.330 118 HB THR 17 HB THR 17 8.520 -5.255 -1.503 119 HG1 THR 17 HG1 THR 17 8.453 -3.559 -3.035 120 HG21 THR 17 HG21 THR 17 7.038 -2.704 -0.878 121 HG22 THR 17 HG22 THR 17 6.481 -4.098 -1.813 122 HG23 THR 17 HG23 THR 17 6.719 -4.250 -0.059 123 H LYS 18 H LYS 18 10.437 -1.996 -0.995 124 HA LYS 18 HA LYS 18 9.757 -0.067 1.204 125 HB2 LYS 18 HB2 LYS 18 11.570 1.282 0.357 126 HB3 LYS 18 HB3 LYS 18 12.125 -0.363 0.705 127 HG2 LYS 18 HG2 LYS 18 12.038 -0.865 -1.759 128 HG3 LYS 18 HG3 LYS 18 11.579 0.824 -2.051 129 HD2 LYS 18 HD2 LYS 18 13.715 1.571 -0.982 130 HD3 LYS 18 HD3 LYS 18 14.133 -0.116 -0.675 131 HE2 LYS 18 HE2 LYS 18 15.365 0.500 -2.590 132 HE3 LYS 18 HE3 LYS 18 14.063 -0.547 -3.158 133 HZ1 LYS 18 HZ1 LYS 18 14.060 2.429 -3.299 134 HZ2 LYS 18 HZ2 LYS 18 14.338 1.432 -4.557 135 HZ3 LYS 18 HZ3 LYS 18 12.863 1.467 -3.866 136 H THR 19 H THR 19 9.098 -0.765 -2.048 137 HA THR 19 HA THR 19 7.460 1.718 -2.382 138 HB THR 19 HB THR 19 9.646 1.811 -3.627 139 HG1 THR 19 HG1 THR 19 8.624 2.673 -5.420 140 HG21 THR 19 HG21 THR 19 9.709 -0.564 -4.422 141 HG22 THR 19 HG22 THR 19 8.298 -0.236 -5.452 142 HG23 THR 19 HG23 THR 19 9.834 0.609 -5.744 143 H CYS 20 H CYS 20 5.844 1.543 -4.161 144 HA CYS 20 HA CYS 20 4.413 -1.027 -3.949 145 HB2 CYS 20 HB2 CYS 20 3.561 1.645 -5.106 146 HB3 CYS 20 HB3 CYS 20 2.529 0.218 -4.978 147 HA PRO 21 HA PRO 21 5.616 -2.157 -8.141 148 HB2 PRO 21 HB2 PRO 21 3.845 -4.184 -8.614 149 HB3 PRO 21 HB3 PRO 21 5.264 -4.334 -7.534 150 HG2 PRO 21 HG2 PRO 21 2.390 -3.818 -6.781 151 HG3 PRO 21 HG3 PRO 21 3.539 -4.928 -5.981 152 HD2 PRO 21 HD2 PRO 21 3.009 -2.445 -5.009 153 HD3 PRO 21 HD3 PRO 21 4.613 -3.225 -4.847 154 H SER 22 H SER 22 5.155 -0.349 -9.257 155 HA SER 22 HA SER 22 2.751 1.026 -9.400 156 HB2 SER 22 HB2 SER 22 5.080 1.832 -9.923 157 HB3 SER 22 HB3 SER 22 4.921 1.106 -11.532 158 HG SER 22 HG SER 22 3.170 2.514 -11.929 159 H ASN 23 H ASN 23 3.798 -1.533 -11.614 160 HA ASN 23 HA ASN 23 1.826 -1.057 -13.657 161 HB2 ASN 23 HB2 ASN 23 3.447 -3.538 -12.937 162 HB3 ASN 23 HB3 ASN 23 2.461 -3.377 -14.386 163 HD21 ASN 23 HD21 ASN 23 5.604 -2.878 -13.174 164 HD22 ASN 23 HD22 ASN 23 6.155 -1.837 -14.476 165 H ARG 24 H ARG 24 1.358 -2.238 -10.495 166 HA ARG 24 HA ARG 24 -1.003 -3.883 -11.115 167 HB2 ARG 24 HB2 ARG 24 0.759 -4.310 -9.362 168 HB3 ARG 24 HB3 ARG 24 0.036 -3.023 -8.409 169 HG2 ARG 24 HG2 ARG 24 -1.886 -4.267 -7.935 170 HG3 ARG 24 HG3 ARG 24 -1.794 -5.196 -9.446 171 HD2 ARG 24 HD2 ARG 24 0.106 -6.452 -8.653 172 HD3 ARG 24 HD3 ARG 24 0.159 -5.525 -7.144 173 HE ARG 24 HE ARG 24 -2.400 -6.526 -7.098 174 HH11 ARG 24 HH11 ARG 24 0.610 -8.268 -7.634 175 HH12 ARG 24 HH12 ARG 24 -0.072 -9.741 -6.997 176 HH21 ARG 24 HH21 ARG 24 -3.147 -8.283 -6.369 177 HH22 ARG 24 HH22 ARG 24 -2.195 -9.772 -6.259 178 H GLY 25 H GLY 25 -0.506 -0.606 -10.926 179 HA2 GLY 25 HA2 GLY 25 -2.101 0.982 -11.498 180 HA3 GLY 25 HA3 GLY 25 -3.396 -0.154 -11.129 181 H TYR 26 H TYR 26 -0.967 0.507 -8.663 182 HA TYR 26 HA TYR 26 -2.909 1.648 -6.856 183 HB2 TYR 26 HB2 TYR 26 0.124 1.556 -6.689 184 HB3 TYR 26 HB3 TYR 26 -0.950 2.038 -5.378 185 HD1 TYR 26 HD1 TYR 26 0.872 -0.700 -6.686 186 HD2 TYR 26 HD2 TYR 26 -2.910 0.279 -4.837 187 HE1 TYR 26 HE1 TYR 26 0.531 -3.077 -6.066 188 HE2 TYR 26 HE2 TYR 26 -3.218 -2.104 -4.207 189 HH TYR 26 HH TYR 26 -0.933 -4.643 -5.291 190 H THR 27 H THR 27 -3.310 3.736 -6.260 191 HA THR 27 HA THR 27 -2.294 5.897 -8.052 192 HB THR 27 HB THR 27 -4.241 7.171 -7.305 193 HG1 THR 27 HG1 THR 27 -5.778 6.192 -6.013 194 HG21 THR 27 HG21 THR 27 -5.992 5.884 -8.397 195 HG22 THR 27 HG22 THR 27 -4.470 5.657 -9.274 196 HG23 THR 27 HG23 THR 27 -5.075 4.375 -8.201 197 H GLY 28 H GLY 28 -1.944 4.766 -4.816 198 HA2 GLY 28 HA2 GLY 28 0.005 6.803 -4.228 199 HA3 GLY 28 HA3 GLY 28 -1.468 7.064 -3.300 200 H SER 29 H SER 29 0.666 6.687 -1.828 201 HA SER 29 HA SER 29 0.416 4.028 -0.604 202 HB2 SER 29 HB2 SER 29 2.741 3.454 -0.886 203 HB3 SER 29 HB3 SER 29 1.995 3.725 -2.473 204 HG SER 29 HG SER 29 4.037 4.744 -2.348 205 H CYS 30 H CYS 30 1.678 3.756 1.349 206 HA CYS 30 HA CYS 30 3.145 6.008 2.457 207 HB2 CYS 30 HB2 CYS 30 1.789 6.319 4.448 208 HB3 CYS 30 HB3 CYS 30 0.775 6.575 3.025 209 H GLY 31 H GLY 31 4.582 5.426 4.146 210 HA2 GLY 31 HA2 GLY 31 5.383 2.680 4.264 211 HA3 GLY 31 HA3 GLY 31 5.940 3.964 5.339 212 H TYR 32 H TYR 32 4.782 1.009 5.632 213 HA TYR 32 HA TYR 32 2.830 1.575 7.829 214 HB2 TYR 32 HB2 TYR 32 1.945 1.069 5.399 215 HB3 TYR 32 HB3 TYR 32 2.397 -0.579 5.753 216 HD1 TYR 32 HD1 TYR 32 0.290 2.289 6.769 217 HD2 TYR 32 HD2 TYR 32 0.977 -1.943 7.186 218 HE1 TYR 32 HE1 TYR 32 -1.973 2.021 7.797 219 HE2 TYR 32 HE2 TYR 32 -1.292 -2.220 8.185 220 HH TYR 32 HH TYR 32 -3.231 -1.165 8.836 221 H PHE 33 H PHE 33 2.997 0.236 9.569 222 HA PHE 33 HA PHE 33 3.956 -1.216 11.014 223 HB2 PHE 33 HB2 PHE 33 2.032 -2.350 10.091 224 HB3 PHE 33 HB3 PHE 33 3.015 -3.081 8.837 225 HD1 PHE 33 HD1 PHE 33 3.552 -2.738 12.587 226 HD2 PHE 33 HD2 PHE 33 2.989 -5.397 9.232 227 HE1 PHE 33 HE1 PHE 33 3.954 -4.688 14.059 228 HE2 PHE 33 HE2 PHE 33 3.392 -7.344 10.716 229 HZ PHE 33 HZ PHE 33 3.882 -6.994 13.130 230 H LEU 34 H LEU 34 5.071 -3.439 8.532 231 HA LEU 34 HA LEU 34 7.928 -2.848 9.207 232 HB2 LEU 34 HB2 LEU 34 6.599 -5.550 8.816 233 HB3 LEU 34 HB3 LEU 34 8.326 -5.294 9.066 234 HG LEU 34 HG LEU 34 6.199 -4.554 11.123 235 HD11 LEU 34 HD11 LEU 34 6.268 -6.955 10.674 236 HD12 LEU 34 HD12 LEU 34 8.025 -6.974 10.946 237 HD13 LEU 34 HD13 LEU 34 6.909 -6.578 12.282 238 HD21 LEU 34 HD21 LEU 34 8.291 -3.275 11.406 239 HD22 LEU 34 HD22 LEU 34 8.121 -4.487 12.680 240 HD23 LEU 34 HD23 LEU 34 9.237 -4.778 11.325 241 H GLY 35 H GLY 35 5.927 -2.326 6.904 242 HA2 GLY 35 HA2 GLY 35 7.819 -2.546 4.658 243 HA3 GLY 35 HA3 GLY 35 6.326 -3.483 4.507 244 H ILE 36 H ILE 36 4.859 -2.443 3.304 245 HA ILE 36 HA ILE 36 4.355 0.460 3.630 246 HB ILE 36 HB ILE 36 6.083 0.549 2.075 247 HG12 ILE 36 HG12 ILE 36 3.609 0.518 0.302 248 HG13 ILE 36 HG13 ILE 36 3.933 1.773 1.480 249 HG21 ILE 36 HG21 ILE 36 4.785 -1.593 0.363 250 HG22 ILE 36 HG22 ILE 36 6.320 -0.759 0.056 251 HG23 ILE 36 HG23 ILE 36 6.190 -1.860 1.415 252 HD11 ILE 36 HD11 ILE 36 5.587 1.085 -0.959 253 HD12 ILE 36 HD12 ILE 36 4.693 2.578 -0.642 254 HD13 ILE 36 HD13 ILE 36 6.133 2.219 0.317 255 H CYS 37 H CYS 37 2.434 1.207 3.012 256 HA CYS 37 HA CYS 37 0.240 -0.688 2.317 257 HB2 CYS 37 HB2 CYS 37 -0.061 0.647 4.303 258 HB3 CYS 37 HB3 CYS 37 0.440 2.105 3.471 259 H CYS 38 H CYS 38 -0.593 -0.607 0.288 260 HA CYS 38 HA CYS 38 -0.009 1.702 -1.534 261 HB2 CYS 38 HB2 CYS 38 -0.138 -1.242 -2.215 262 HB3 CYS 38 HB3 CYS 38 0.169 0.062 -3.351 263 H TYR 39 H TYR 39 -1.835 2.509 -2.525 264 HA TYR 39 HA TYR 39 -4.387 1.020 -2.192 265 HB2 TYR 39 HB2 TYR 39 -5.472 3.161 -1.493 266 HB3 TYR 39 HB3 TYR 39 -4.439 2.379 -0.331 267 HD1 TYR 39 HD1 TYR 39 -2.586 3.465 0.664 268 HD2 TYR 39 HD2 TYR 39 -4.675 5.284 -2.646 269 HE1 TYR 39 HE1 TYR 39 -1.521 5.657 1.193 270 HE2 TYR 39 HE2 TYR 39 -3.635 7.475 -2.096 271 HH TYR 39 HH TYR 39 -2.226 8.621 -0.692 272 HA PRO 40 HA PRO 40 -6.810 1.806 -2.596 273 HB2 PRO 40 HB2 PRO 40 -8.557 0.721 -4.370 274 HB3 PRO 40 HB3 PRO 40 -8.339 2.486 -4.180 275 HG2 PRO 40 HG2 PRO 40 -7.021 0.665 -6.233 276 HG3 PRO 40 HG3 PRO 40 -7.927 2.187 -6.532 277 HD2 PRO 40 HD2 PRO 40 -5.223 2.181 -6.350 278 HD3 PRO 40 HD3 PRO 40 -6.184 3.508 -5.636 279 H VAL 41 H VAL 41 -7.783 -0.232 -1.954 280 HA VAL 41 HA VAL 41 -6.030 -2.430 -1.772 281 HB VAL 41 HB VAL 41 -7.803 -1.752 -0.164 282 HG11 VAL 41 HG11 VAL 41 -9.679 -1.375 -1.752 283 HG12 VAL 41 HG12 VAL 41 -9.780 -3.130 -2.013 284 HG13 VAL 41 HG13 VAL 41 -10.100 -2.445 -0.408 285 HG21 VAL 41 HG21 VAL 41 -8.479 -3.991 0.538 286 HG22 VAL 41 HG22 VAL 41 -7.957 -4.662 -1.017 287 HG23 VAL 41 HG23 VAL 41 -6.775 -3.924 0.098 288 H ASP 42 H ASP 42 -6.027 -4.486 -2.661 289 HA ASP 42 HA ASP 42 -7.326 -4.810 -5.333 290 HB2 ASP 42 HB2 ASP 42 -5.042 -3.965 -5.547 291 HB3 ASP 42 HB3 ASP 42 -4.433 -5.274 -4.540 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -6.171 -11.448 0.759 2 H2 GLY 1 H2 GLY 1 -5.606 -11.262 -0.769 3 H3 GLY 1 H3 GLY 1 -6.539 -10.098 -0.089 4 HA2 GLY 1 HA2 GLY 1 -3.838 -10.865 0.812 5 HA3 GLY 1 HA3 GLY 1 -4.226 -9.407 -0.118 6 H THR 2 H THR 2 -2.912 -8.970 2.148 7 HA THR 2 HA THR 2 -4.754 -8.490 4.423 8 HB THR 2 HB THR 2 -1.772 -7.981 4.128 9 HG1 THR 2 HG1 THR 2 -2.369 -10.178 4.131 10 HG21 THR 2 HG21 THR 2 -3.581 -7.889 6.584 11 HG22 THR 2 HG22 THR 2 -1.804 -7.894 6.624 12 HG23 THR 2 HG23 THR 2 -2.659 -6.533 5.890 13 H THR 3 H THR 3 -5.687 -6.542 4.901 14 HA THR 3 HA THR 3 -5.449 -4.335 3.063 15 HB THR 3 HB THR 3 -6.945 -3.352 5.139 16 HG1 THR 3 HG1 THR 3 -8.216 -5.048 5.896 17 HG21 THR 3 HG21 THR 3 -8.898 -4.208 3.850 18 HG22 THR 3 HG22 THR 3 -7.646 -3.420 2.867 19 HG23 THR 3 HG23 THR 3 -7.779 -5.200 2.881 20 H CYS 4 H CYS 4 -5.146 -2.179 3.598 21 HA CYS 4 HA CYS 4 -3.688 -1.533 6.062 22 HB2 CYS 4 HB2 CYS 4 -1.934 -0.356 4.983 23 HB3 CYS 4 HB3 CYS 4 -2.003 -1.949 4.270 24 H TYR 5 H TYR 5 -3.716 0.833 6.575 25 HA TYR 5 HA TYR 5 -5.820 2.379 5.110 26 HB2 TYR 5 HB2 TYR 5 -5.661 1.986 8.120 27 HB3 TYR 5 HB3 TYR 5 -6.715 3.123 7.301 28 HD1 TYR 5 HD1 TYR 5 -6.063 -0.480 7.936 29 HD2 TYR 5 HD2 TYR 5 -8.781 2.423 6.258 30 HE1 TYR 5 HE1 TYR 5 -7.842 -2.225 7.787 31 HE2 TYR 5 HE2 TYR 5 -10.563 0.692 6.150 32 HH TYR 5 HH TYR 5 -11.128 -1.495 6.563 33 H CYS 6 H CYS 6 -5.249 4.421 4.665 34 HA CYS 6 HA CYS 6 -3.564 5.906 6.613 35 HB2 CYS 6 HB2 CYS 6 -2.642 5.023 3.948 36 HB3 CYS 6 HB3 CYS 6 -2.452 6.750 4.207 37 H GLY 7 H GLY 7 -4.341 7.909 6.978 38 HA2 GLY 7 HA2 GLY 7 -5.670 9.785 6.800 39 HA3 GLY 7 HA3 GLY 7 -5.280 9.760 5.076 40 H LYS 8 H LYS 8 -7.137 7.344 6.897 41 HA LYS 8 HA LYS 8 -9.064 6.245 6.480 42 HB2 LYS 8 HB2 LYS 8 -10.173 8.994 5.847 43 HB3 LYS 8 HB3 LYS 8 -11.128 7.537 6.135 44 HG2 LYS 8 HG2 LYS 8 -10.114 7.322 8.406 45 HG3 LYS 8 HG3 LYS 8 -9.265 8.860 8.151 46 HD2 LYS 8 HD2 LYS 8 -11.433 10.021 7.867 47 HD3 LYS 8 HD3 LYS 8 -12.293 8.482 8.092 48 HE2 LYS 8 HE2 LYS 8 -11.288 8.261 10.359 49 HE3 LYS 8 HE3 LYS 8 -10.453 9.803 10.140 50 HZ1 LYS 8 HZ1 LYS 8 -13.406 9.452 10.163 51 HZ2 LYS 8 HZ2 LYS 8 -12.523 10.083 11.380 52 HZ3 LYS 8 HZ3 LYS 8 -12.636 10.880 9.961 53 H THR 9 H THR 9 -7.188 6.701 4.174 54 HA THR 9 HA THR 9 -8.945 5.695 1.982 55 HB THR 9 HB THR 9 -6.063 6.658 1.773 56 HG1 THR 9 HG1 THR 9 -7.536 8.350 2.127 57 HG21 THR 9 HG21 THR 9 -6.616 4.975 0.072 58 HG22 THR 9 HG22 THR 9 -8.110 5.852 -0.340 59 HG23 THR 9 HG23 THR 9 -6.518 6.582 -0.656 60 H ILE 10 H ILE 10 -9.142 3.608 2.189 61 HA ILE 10 HA ILE 10 -7.203 1.866 3.463 62 HB ILE 10 HB ILE 10 -9.631 1.568 3.648 63 HG12 ILE 10 HG12 ILE 10 -8.275 -0.800 2.287 64 HG13 ILE 10 HG13 ILE 10 -8.220 -0.383 4.005 65 HG21 ILE 10 HG21 ILE 10 -9.600 0.806 0.710 66 HG22 ILE 10 HG22 ILE 10 -11.016 0.883 1.789 67 HG23 ILE 10 HG23 ILE 10 -10.173 2.363 1.341 68 HD11 ILE 10 HD11 ILE 10 -10.765 -0.632 4.032 69 HD12 ILE 10 HD12 ILE 10 -10.618 -1.343 2.406 70 HD13 ILE 10 HD13 ILE 10 -9.833 -2.116 3.790 71 H GLY 11 H GLY 11 -5.931 0.269 2.497 72 HA2 GLY 11 HA2 GLY 11 -5.760 0.076 -0.461 73 HA3 GLY 11 HA3 GLY 11 -4.322 0.533 0.445 74 H ILE 12 H ILE 12 -3.584 -1.353 -0.673 75 HA ILE 12 HA ILE 12 -3.997 -3.908 0.778 76 HB ILE 12 HB ILE 12 -3.626 -3.212 -2.001 77 HG12 ILE 12 HG12 ILE 12 -5.228 -4.790 -1.241 78 HG13 ILE 12 HG13 ILE 12 -4.139 -5.492 -2.436 79 HG21 ILE 12 HG21 ILE 12 -1.313 -4.863 -0.974 80 HG22 ILE 12 HG22 ILE 12 -1.889 -4.839 -2.634 81 HG23 ILE 12 HG23 ILE 12 -1.317 -3.324 -1.892 82 HD11 ILE 12 HD11 ILE 12 -4.299 -6.113 0.506 83 HD12 ILE 12 HD12 ILE 12 -4.527 -7.194 -0.865 84 HD13 ILE 12 HD13 ILE 12 -2.897 -6.603 -0.485 85 H TYR 13 H TYR 13 -2.315 -4.854 1.807 86 HA TYR 13 HA TYR 13 0.014 -3.100 2.453 87 HB2 TYR 13 HB2 TYR 13 -1.194 -3.946 4.368 88 HB3 TYR 13 HB3 TYR 13 -1.081 -5.590 3.770 89 HD1 TYR 13 HD1 TYR 13 1.283 -2.727 4.501 90 HD2 TYR 13 HD2 TYR 13 0.477 -6.958 4.803 91 HE1 TYR 13 HE1 TYR 13 3.460 -3.067 5.672 92 HE2 TYR 13 HE2 TYR 13 2.628 -7.283 5.999 93 HH TYR 13 HH TYR 13 4.461 -6.286 6.875 94 H TRP 14 H TRP 14 1.957 -3.407 1.667 95 HA TRP 14 HA TRP 14 2.744 -6.053 0.500 96 HB2 TRP 14 HB2 TRP 14 3.555 -3.228 -0.196 97 HB3 TRP 14 HB3 TRP 14 4.510 -4.610 -0.662 98 HD1 TRP 14 HD1 TRP 14 1.304 -2.828 -1.515 99 HE1 TRP 14 HE1 TRP 14 0.202 -3.900 -3.610 100 HE3 TRP 14 HE3 TRP 14 4.287 -6.962 -2.013 101 HZ2 TRP 14 HZ2 TRP 14 0.509 -6.254 -5.192 102 HZ3 TRP 14 HZ3 TRP 14 3.808 -8.647 -3.775 103 HH2 TRP 14 HH2 TRP 14 1.906 -8.326 -5.340 104 H PHE 15 H PHE 15 4.054 -7.204 1.679 105 HA PHE 15 HA PHE 15 5.598 -6.058 3.914 106 HB2 PHE 15 HB2 PHE 15 4.341 -8.056 4.359 107 HB3 PHE 15 HB3 PHE 15 5.011 -8.872 2.954 108 HD1 PHE 15 HD1 PHE 15 6.812 -10.351 3.239 109 HD2 PHE 15 HD2 PHE 15 6.161 -7.257 6.173 110 HE1 PHE 15 HE1 PHE 15 8.657 -11.267 4.624 111 HE2 PHE 15 HE2 PHE 15 8.001 -8.176 7.554 112 HZ PHE 15 HZ PHE 15 9.256 -10.183 6.783 113 H GLY 16 H GLY 16 7.821 -6.167 4.141 114 HA2 GLY 16 HA2 GLY 16 10.042 -6.421 3.628 115 HA3 GLY 16 HA3 GLY 16 9.566 -7.629 2.433 116 H THR 17 H THR 17 8.347 -4.360 2.069 117 HA THR 17 HA THR 17 10.457 -3.525 0.219 118 HB THR 17 HB THR 17 8.818 -4.819 -1.175 119 HG1 THR 17 HG1 THR 17 8.697 -3.152 -2.703 120 HG21 THR 17 HG21 THR 17 6.877 -2.575 -0.851 121 HG22 THR 17 HG22 THR 17 6.685 -4.117 -1.680 122 HG23 THR 17 HG23 THR 17 6.736 -4.078 0.093 123 H LYS 18 H LYS 18 10.097 -1.345 -0.494 124 HA LYS 18 HA LYS 18 8.593 0.464 1.363 125 HB2 LYS 18 HB2 LYS 18 11.503 0.752 0.476 126 HB3 LYS 18 HB3 LYS 18 10.595 2.018 1.299 127 HG2 LYS 18 HG2 LYS 18 11.071 -0.756 2.428 128 HG3 LYS 18 HG3 LYS 18 12.092 0.630 2.790 129 HD2 LYS 18 HD2 LYS 18 10.567 1.615 4.201 130 HD3 LYS 18 HD3 LYS 18 9.157 1.046 3.304 131 HE2 LYS 18 HE2 LYS 18 9.569 -1.264 4.091 132 HE3 LYS 18 HE3 LYS 18 10.930 -0.685 5.063 133 HZ1 LYS 18 HZ1 LYS 18 8.944 -0.865 6.389 134 HZ2 LYS 18 HZ2 LYS 18 9.325 0.732 6.284 135 HZ3 LYS 18 HZ3 LYS 18 8.077 0.098 5.408 136 H THR 19 H THR 19 8.852 -0.493 -1.608 137 HA THR 19 HA THR 19 7.674 2.022 -2.714 138 HB THR 19 HB THR 19 9.963 1.644 -3.662 139 HG1 THR 19 HG1 THR 19 9.244 2.122 -5.722 140 HG21 THR 19 HG21 THR 19 10.265 -0.035 -5.410 141 HG22 THR 19 HG22 THR 19 9.880 -0.851 -3.886 142 HG23 THR 19 HG23 THR 19 8.630 -0.677 -5.139 143 H CYS 20 H CYS 20 6.108 1.670 -4.435 144 HA CYS 20 HA CYS 20 4.573 -0.820 -3.942 145 HB2 CYS 20 HB2 CYS 20 3.743 1.852 -5.090 146 HB3 CYS 20 HB3 CYS 20 2.696 0.436 -5.021 147 HA PRO 21 HA PRO 21 5.796 -2.311 -8.001 148 HB2 PRO 21 HB2 PRO 21 3.831 -4.246 -8.348 149 HB3 PRO 21 HB3 PRO 21 5.274 -4.474 -7.333 150 HG2 PRO 21 HG2 PRO 21 2.526 -3.601 -6.469 151 HG3 PRO 21 HG3 PRO 21 3.554 -4.828 -5.707 152 HD2 PRO 21 HD2 PRO 21 3.328 -2.336 -4.747 153 HD3 PRO 21 HD3 PRO 21 4.924 -3.142 -4.739 154 H SER 22 H SER 22 5.502 -1.369 -9.828 155 HA SER 22 HA SER 22 3.475 0.475 -10.381 156 HB2 SER 22 HB2 SER 22 5.263 -0.924 -12.410 157 HB3 SER 22 HB3 SER 22 4.561 0.695 -12.524 158 HG SER 22 HG SER 22 5.884 1.362 -10.807 159 H ASN 23 H ASN 23 3.633 -2.929 -11.270 160 HA ASN 23 HA ASN 23 1.778 -2.763 -13.466 161 HB2 ASN 23 HB2 ASN 23 2.753 -5.204 -11.920 162 HB3 ASN 23 HB3 ASN 23 2.030 -5.197 -13.528 163 HD21 ASN 23 HD21 ASN 23 3.274 -3.766 -15.208 164 HD22 ASN 23 HD22 ASN 23 5.023 -3.872 -15.095 165 H ARG 24 H ARG 24 1.124 -2.755 -10.128 166 HA ARG 24 HA ARG 24 -1.427 -4.242 -10.257 167 HB2 ARG 24 HB2 ARG 24 -0.461 -2.460 -8.029 168 HB3 ARG 24 HB3 ARG 24 -1.604 -3.786 -7.926 169 HG2 ARG 24 HG2 ARG 24 1.402 -3.941 -8.301 170 HG3 ARG 24 HG3 ARG 24 0.473 -4.389 -6.861 171 HD2 ARG 24 HD2 ARG 24 -0.502 -6.280 -8.062 172 HD3 ARG 24 HD3 ARG 24 0.444 -5.809 -9.505 173 HE ARG 24 HE ARG 24 2.098 -6.202 -7.160 174 HH11 ARG 24 HH11 ARG 24 0.553 -8.004 -9.736 175 HH12 ARG 24 HH12 ARG 24 1.760 -9.259 -9.705 176 HH21 ARG 24 HH21 ARG 24 3.631 -7.821 -7.206 177 HH22 ARG 24 HH22 ARG 24 3.439 -9.158 -8.297 178 H GLY 25 H GLY 25 -0.478 -1.039 -10.910 179 HA2 GLY 25 HA2 GLY 25 -1.753 0.711 -11.760 180 HA3 GLY 25 HA3 GLY 25 -3.231 -0.186 -11.423 181 H TYR 26 H TYR 26 -0.807 0.553 -8.910 182 HA TYR 26 HA TYR 26 -2.765 1.818 -7.221 183 HB2 TYR 26 HB2 TYR 26 0.266 1.711 -7.026 184 HB3 TYR 26 HB3 TYR 26 -0.794 2.292 -5.743 185 HD1 TYR 26 HD1 TYR 26 1.219 -0.369 -6.335 186 HD2 TYR 26 HD2 TYR 26 -2.982 0.404 -5.587 187 HE1 TYR 26 HE1 TYR 26 0.928 -2.643 -5.436 188 HE2 TYR 26 HE2 TYR 26 -3.267 -1.933 -4.834 189 HH TYR 26 HH TYR 26 -2.277 -3.991 -4.673 190 H THR 27 H THR 27 -2.999 3.890 -6.499 191 HA THR 27 HA THR 27 -1.959 6.068 -8.275 192 HB THR 27 HB THR 27 -3.949 7.332 -7.627 193 HG1 THR 27 HG1 THR 27 -5.575 6.312 -6.478 194 HG21 THR 27 HG21 THR 27 -4.035 5.869 -9.648 195 HG22 THR 27 HG22 THR 27 -4.723 4.565 -8.653 196 HG23 THR 27 HG23 THR 27 -5.616 6.085 -8.879 197 H GLY 28 H GLY 28 -1.787 4.867 -5.049 198 HA2 GLY 28 HA2 GLY 28 0.108 6.910 -4.325 199 HA3 GLY 28 HA3 GLY 28 -1.408 7.147 -3.467 200 H SER 29 H SER 29 0.607 6.779 -1.869 201 HA SER 29 HA SER 29 0.365 4.098 -0.709 202 HB2 SER 29 HB2 SER 29 2.706 3.547 -0.877 203 HB3 SER 29 HB3 SER 29 2.056 3.833 -2.500 204 HG SER 29 HG SER 29 3.037 5.860 -2.520 205 H CYS 30 H CYS 30 1.638 3.815 1.279 206 HA CYS 30 HA CYS 30 2.983 6.104 2.418 207 HB2 CYS 30 HB2 CYS 30 1.675 6.413 4.388 208 HB3 CYS 30 HB3 CYS 30 0.544 6.488 3.034 209 H GLY 31 H GLY 31 4.547 5.535 3.949 210 HA2 GLY 31 HA2 GLY 31 5.362 2.791 4.059 211 HA3 GLY 31 HA3 GLY 31 5.998 4.088 5.069 212 H TYR 32 H TYR 32 4.974 1.176 5.573 213 HA TYR 32 HA TYR 32 2.890 1.759 7.643 214 HB2 TYR 32 HB2 TYR 32 2.482 0.459 5.322 215 HB3 TYR 32 HB3 TYR 32 3.080 -0.894 6.260 216 HD1 TYR 32 HD1 TYR 32 1.348 -2.184 7.297 217 HD2 TYR 32 HD2 TYR 32 0.711 2.023 6.551 218 HE1 TYR 32 HE1 TYR 32 -0.988 -2.389 8.118 219 HE2 TYR 32 HE2 TYR 32 -1.616 1.813 7.392 220 HH TYR 32 HH TYR 32 -2.957 -1.288 8.571 221 H PHE 33 H PHE 33 2.717 -0.364 9.142 222 HA PHE 33 HA PHE 33 5.195 -0.652 10.607 223 HB2 PHE 33 HB2 PHE 33 2.964 -1.017 11.611 224 HB3 PHE 33 HB3 PHE 33 2.751 -2.436 10.573 225 HD1 PHE 33 HD1 PHE 33 5.338 -1.060 12.975 226 HD2 PHE 33 HD2 PHE 33 3.144 -4.510 11.594 227 HE1 PHE 33 HE1 PHE 33 6.486 -2.469 14.664 228 HE2 PHE 33 HE2 PHE 33 4.280 -5.911 13.301 229 HZ PHE 33 HZ PHE 33 5.960 -4.895 14.830 230 H LEU 34 H LEU 34 6.875 -1.774 10.141 231 HA LEU 34 HA LEU 34 8.410 -3.008 9.166 232 HB2 LEU 34 HB2 LEU 34 6.280 -5.084 8.627 233 HB3 LEU 34 HB3 LEU 34 8.020 -5.342 8.636 234 HG LEU 34 HG LEU 34 6.363 -4.498 11.059 235 HD11 LEU 34 HD11 LEU 34 7.568 -7.190 10.347 236 HD12 LEU 34 HD12 LEU 34 6.719 -6.770 11.856 237 HD13 LEU 34 HD13 LEU 34 5.838 -6.759 10.322 238 HD21 LEU 34 HD21 LEU 34 8.672 -3.722 11.292 239 HD22 LEU 34 HD22 LEU 34 8.376 -5.088 12.366 240 HD23 LEU 34 HD23 LEU 34 9.284 -5.338 10.855 241 H GLY 35 H GLY 35 5.596 -3.358 6.967 242 HA2 GLY 35 HA2 GLY 35 7.369 -3.021 4.585 243 HA3 GLY 35 HA3 GLY 35 5.742 -3.676 4.627 244 H ILE 36 H ILE 36 4.673 -2.466 3.233 245 HA ILE 36 HA ILE 36 4.282 0.443 3.677 246 HB ILE 36 HB ILE 36 6.013 0.553 2.134 247 HG12 ILE 36 HG12 ILE 36 3.577 0.613 0.306 248 HG13 ILE 36 HG13 ILE 36 3.895 1.833 1.514 249 HG21 ILE 36 HG21 ILE 36 4.690 -1.446 0.270 250 HG22 ILE 36 HG22 ILE 36 6.289 -0.699 0.117 251 HG23 ILE 36 HG23 ILE 36 5.993 -1.882 1.383 252 HD11 ILE 36 HD11 ILE 36 4.705 2.677 -0.560 253 HD12 ILE 36 HD12 ILE 36 6.126 2.268 0.409 254 HD13 ILE 36 HD13 ILE 36 5.587 1.177 -0.905 255 H CYS 37 H CYS 37 2.382 1.265 2.913 256 HA CYS 37 HA CYS 37 0.204 -0.637 2.179 257 HB2 CYS 37 HB2 CYS 37 -0.070 0.713 4.203 258 HB3 CYS 37 HB3 CYS 37 0.364 2.167 3.326 259 H CYS 38 H CYS 38 -0.596 -0.527 0.135 260 HA CYS 38 HA CYS 38 0.028 1.796 -1.649 261 HB2 CYS 38 HB2 CYS 38 -0.045 -1.136 -2.392 262 HB3 CYS 38 HB3 CYS 38 0.291 0.205 -3.474 263 H TYR 39 H TYR 39 -1.746 2.570 -2.752 264 HA TYR 39 HA TYR 39 -4.308 1.095 -2.513 265 HB2 TYR 39 HB2 TYR 39 -5.452 3.178 -1.782 266 HB3 TYR 39 HB3 TYR 39 -4.387 2.438 -0.625 267 HD1 TYR 39 HD1 TYR 39 -2.719 3.667 0.473 268 HD2 TYR 39 HD2 TYR 39 -4.657 5.288 -3.029 269 HE1 TYR 39 HE1 TYR 39 -1.737 5.899 0.966 270 HE2 TYR 39 HE2 TYR 39 -3.691 7.526 -2.518 271 HH TYR 39 HH TYR 39 -1.550 8.090 0.299 272 HA PRO 40 HA PRO 40 -6.749 2.004 -3.008 273 HB2 PRO 40 HB2 PRO 40 -8.420 0.878 -4.831 274 HB3 PRO 40 HB3 PRO 40 -8.190 2.645 -4.673 275 HG2 PRO 40 HG2 PRO 40 -6.802 0.759 -6.618 276 HG3 PRO 40 HG3 PRO 40 -7.669 2.286 -6.993 277 HD2 PRO 40 HD2 PRO 40 -4.981 2.253 -6.689 278 HD3 PRO 40 HD3 PRO 40 -5.952 3.603 -6.035 279 H VAL 41 H VAL 41 -7.748 0.053 -2.274 280 HA VAL 41 HA VAL 41 -6.060 -2.229 -2.034 281 HB VAL 41 HB VAL 41 -7.675 -1.446 -0.344 282 HG11 VAL 41 HG11 VAL 41 -10.031 -1.922 -0.433 283 HG12 VAL 41 HG12 VAL 41 -9.608 -0.893 -1.807 284 HG13 VAL 41 HG13 VAL 41 -9.887 -2.631 -2.052 285 HG21 VAL 41 HG21 VAL 41 -8.509 -3.620 0.397 286 HG22 VAL 41 HG22 VAL 41 -8.147 -4.324 -1.190 287 HG23 VAL 41 HG23 VAL 41 -6.837 -3.711 -0.147 288 H ASP 42 H ASP 42 -6.014 -4.200 -3.039 289 HA ASP 42 HA ASP 42 -7.332 -4.466 -5.645 290 HB2 ASP 42 HB2 ASP 42 -4.960 -5.027 -5.358 291 HB3 ASP 42 HB3 ASP 42 -5.389 -6.294 -4.209 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -4.585 -12.691 1.993 2 H2 GLY 1 H2 GLY 1 -3.013 -12.653 2.449 3 H3 GLY 1 H3 GLY 1 -3.402 -12.836 0.867 4 HA2 GLY 1 HA2 GLY 1 -2.650 -10.587 1.274 5 HA3 GLY 1 HA3 GLY 1 -4.347 -10.632 0.762 6 H THR 2 H THR 2 -3.019 -8.545 2.289 7 HA THR 2 HA THR 2 -4.702 -8.501 4.757 8 HB THR 2 HB THR 2 -1.752 -7.753 4.678 9 HG1 THR 2 HG1 THR 2 -3.037 -9.988 5.864 10 HG21 THR 2 HG21 THR 2 -3.733 -7.924 6.993 11 HG22 THR 2 HG22 THR 2 -1.973 -7.721 7.164 12 HG23 THR 2 HG23 THR 2 -2.927 -6.463 6.378 13 H THR 3 H THR 3 -5.638 -6.522 5.146 14 HA THR 3 HA THR 3 -5.400 -4.423 3.174 15 HB THR 3 HB THR 3 -6.956 -3.357 5.171 16 HG1 THR 3 HG1 THR 3 -8.229 -5.032 5.970 17 HG21 THR 3 HG21 THR 3 -8.871 -4.286 3.875 18 HG22 THR 3 HG22 THR 3 -7.602 -3.532 2.887 19 HG23 THR 3 HG23 THR 3 -7.721 -5.309 2.977 20 H CYS 4 H CYS 4 -5.141 -2.227 3.631 21 HA CYS 4 HA CYS 4 -3.731 -1.488 6.098 22 HB2 CYS 4 HB2 CYS 4 -1.953 -0.363 5.029 23 HB3 CYS 4 HB3 CYS 4 -2.027 -1.950 4.303 24 H TYR 5 H TYR 5 -3.778 0.901 6.532 25 HA TYR 5 HA TYR 5 -5.890 2.372 5.003 26 HB2 TYR 5 HB2 TYR 5 -5.748 2.071 8.024 27 HB3 TYR 5 HB3 TYR 5 -6.791 3.193 7.171 28 HD1 TYR 5 HD1 TYR 5 -6.171 -0.398 7.898 29 HD2 TYR 5 HD2 TYR 5 -8.854 2.485 6.132 30 HE1 TYR 5 HE1 TYR 5 -7.968 -2.127 7.795 31 HE2 TYR 5 HE2 TYR 5 -10.655 0.770 6.069 32 HH TYR 5 HH TYR 5 -11.245 -1.396 6.546 33 H CYS 6 H CYS 6 -5.343 4.399 4.493 34 HA CYS 6 HA CYS 6 -3.696 6.000 6.368 35 HB2 CYS 6 HB2 CYS 6 -2.686 4.924 3.804 36 HB3 CYS 6 HB3 CYS 6 -2.498 6.662 3.944 37 H GLY 7 H GLY 7 -4.361 8.094 6.478 38 HA2 GLY 7 HA2 GLY 7 -5.544 10.022 6.022 39 HA3 GLY 7 HA3 GLY 7 -5.060 9.756 4.344 40 H LYS 8 H LYS 8 -7.286 7.861 6.389 41 HA LYS 8 HA LYS 8 -9.329 6.947 6.028 42 HB2 LYS 8 HB2 LYS 8 -10.001 9.622 4.767 43 HB3 LYS 8 HB3 LYS 8 -11.161 8.397 5.286 44 HG2 LYS 8 HG2 LYS 8 -10.405 8.610 7.625 45 HG3 LYS 8 HG3 LYS 8 -9.192 9.801 7.144 46 HD2 LYS 8 HD2 LYS 8 -11.071 10.954 8.098 47 HD3 LYS 8 HD3 LYS 8 -10.973 11.336 6.374 48 HE2 LYS 8 HE2 LYS 8 -12.777 9.692 5.906 49 HE3 LYS 8 HE3 LYS 8 -12.841 9.264 7.620 50 HZ1 LYS 8 HZ1 LYS 8 -13.453 11.955 6.512 51 HZ2 LYS 8 HZ2 LYS 8 -14.562 10.880 7.037 52 HZ3 LYS 8 HZ3 LYS 8 -13.522 11.556 8.096 53 H THR 9 H THR 9 -7.281 6.635 3.897 54 HA THR 9 HA THR 9 -9.018 5.555 1.723 55 HB THR 9 HB THR 9 -6.108 6.422 1.453 56 HG1 THR 9 HG1 THR 9 -7.466 8.210 1.707 57 HG21 THR 9 HG21 THR 9 -6.622 6.236 -0.970 58 HG22 THR 9 HG22 THR 9 -6.765 4.677 -0.146 59 HG23 THR 9 HG23 THR 9 -8.231 5.588 -0.581 60 H ILE 10 H ILE 10 -9.213 3.469 2.004 61 HA ILE 10 HA ILE 10 -7.283 1.782 3.384 62 HB ILE 10 HB ILE 10 -9.711 1.469 3.546 63 HG12 ILE 10 HG12 ILE 10 -8.306 -0.929 2.290 64 HG13 ILE 10 HG13 ILE 10 -8.277 -0.448 3.992 65 HG21 ILE 10 HG21 ILE 10 -10.218 2.175 1.200 66 HG22 ILE 10 HG22 ILE 10 -9.624 0.597 0.639 67 HG23 ILE 10 HG23 ILE 10 -11.058 0.706 1.691 68 HD11 ILE 10 HD11 ILE 10 -10.647 -1.494 2.404 69 HD12 ILE 10 HD12 ILE 10 -9.862 -2.213 3.817 70 HD13 ILE 10 HD13 ILE 10 -10.816 -0.734 4.004 71 H GLY 11 H GLY 11 -5.980 0.179 2.490 72 HA2 GLY 11 HA2 GLY 11 -5.728 -0.078 -0.458 73 HA3 GLY 11 HA3 GLY 11 -4.325 0.414 0.481 74 H ILE 12 H ILE 12 -3.553 -1.477 -0.615 75 HA ILE 12 HA ILE 12 -3.953 -4.022 0.852 76 HB ILE 12 HB ILE 12 -3.584 -3.361 -1.918 77 HG12 ILE 12 HG12 ILE 12 -5.087 -5.028 -1.168 78 HG13 ILE 12 HG13 ILE 12 -3.944 -5.679 -2.338 79 HG21 ILE 12 HG21 ILE 12 -1.749 -4.849 -2.569 80 HG22 ILE 12 HG22 ILE 12 -1.265 -3.323 -1.795 81 HG23 ILE 12 HG23 ILE 12 -1.180 -4.878 -0.907 82 HD11 ILE 12 HD11 ILE 12 -4.276 -7.366 -0.697 83 HD12 ILE 12 HD12 ILE 12 -2.649 -6.714 -0.417 84 HD13 ILE 12 HD13 ILE 12 -4.012 -6.236 0.629 85 H TYR 13 H TYR 13 -2.267 -4.927 1.940 86 HA TYR 13 HA TYR 13 0.043 -3.141 2.569 87 HB2 TYR 13 HB2 TYR 13 -1.169 -3.958 4.490 88 HB3 TYR 13 HB3 TYR 13 -1.049 -5.612 3.920 89 HD1 TYR 13 HD1 TYR 13 1.321 -2.745 4.623 90 HD2 TYR 13 HD2 TYR 13 0.475 -6.961 5.011 91 HE1 TYR 13 HE1 TYR 13 3.466 -3.075 5.858 92 HE2 TYR 13 HE2 TYR 13 2.595 -7.272 6.265 93 HH TYR 13 HH TYR 13 4.452 -6.283 7.110 94 H TRP 14 H TRP 14 1.994 -3.455 1.803 95 HA TRP 14 HA TRP 14 2.773 -6.089 0.593 96 HB2 TRP 14 HB2 TRP 14 3.558 -3.250 -0.093 97 HB3 TRP 14 HB3 TRP 14 4.520 -4.633 -0.571 98 HD1 TRP 14 HD1 TRP 14 1.279 -2.879 -1.381 99 HE1 TRP 14 HE1 TRP 14 0.272 -3.849 -3.558 100 HE3 TRP 14 HE3 TRP 14 4.483 -6.813 -2.090 101 HZ2 TRP 14 HZ2 TRP 14 0.811 -6.002 -5.363 102 HZ3 TRP 14 HZ3 TRP 14 4.215 -8.308 -4.060 103 HH2 TRP 14 HH2 TRP 14 2.386 -7.920 -5.696 104 H PHE 15 H PHE 15 4.102 -7.224 1.793 105 HA PHE 15 HA PHE 15 5.883 -5.916 3.787 106 HB2 PHE 15 HB2 PHE 15 4.407 -7.644 4.650 107 HB3 PHE 15 HB3 PHE 15 4.969 -8.784 3.440 108 HD1 PHE 15 HD1 PHE 15 6.410 -10.432 4.251 109 HD2 PHE 15 HD2 PHE 15 6.571 -6.495 6.016 110 HE1 PHE 15 HE1 PHE 15 8.187 -11.194 5.807 111 HE2 PHE 15 HE2 PHE 15 8.341 -7.266 7.570 112 HZ PHE 15 HZ PHE 15 9.153 -9.615 7.468 113 H GLY 16 H GLY 16 8.081 -6.230 3.805 114 HA2 GLY 16 HA2 GLY 16 10.191 -6.904 3.126 115 HA3 GLY 16 HA3 GLY 16 9.457 -8.088 2.044 116 H THR 17 H THR 17 8.525 -4.741 1.704 117 HA THR 17 HA THR 17 10.521 -4.107 -0.344 118 HB THR 17 HB THR 17 8.567 -5.145 -1.562 119 HG1 THR 17 HG1 THR 17 8.511 -3.423 -3.044 120 HG21 THR 17 HG21 THR 17 7.062 -2.625 -0.845 121 HG22 THR 17 HG22 THR 17 6.518 -3.988 -1.833 122 HG23 THR 17 HG23 THR 17 6.752 -4.203 -0.086 123 H LYS 18 H LYS 18 10.319 -1.845 -0.956 124 HA LYS 18 HA LYS 18 9.479 -0.072 1.318 125 HB2 LYS 18 HB2 LYS 18 11.978 -0.519 0.953 126 HB3 LYS 18 HB3 LYS 18 11.836 0.343 -0.566 127 HG2 LYS 18 HG2 LYS 18 12.754 1.761 1.196 128 HG3 LYS 18 HG3 LYS 18 11.235 2.404 0.595 129 HD2 LYS 18 HD2 LYS 18 11.455 2.622 3.045 130 HD3 LYS 18 HD3 LYS 18 10.054 1.647 2.607 131 HE2 LYS 18 HE2 LYS 18 11.359 -0.430 3.072 132 HE3 LYS 18 HE3 LYS 18 12.772 0.553 3.481 133 HZ1 LYS 18 HZ1 LYS 18 11.555 -0.114 5.469 134 HZ2 LYS 18 HZ2 LYS 18 11.485 1.508 5.321 135 HZ3 LYS 18 HZ3 LYS 18 10.182 0.592 4.944 136 H THR 19 H THR 19 9.024 -0.684 -1.980 137 HA THR 19 HA THR 19 7.533 1.873 -2.343 138 HB THR 19 HB THR 19 9.741 1.880 -3.564 139 HG1 THR 19 HG1 THR 19 8.772 2.786 -5.361 140 HG21 THR 19 HG21 THR 19 9.711 -0.498 -4.366 141 HG22 THR 19 HG22 THR 19 8.336 -0.100 -5.421 142 HG23 THR 19 HG23 THR 19 9.914 0.678 -5.675 143 H CYS 20 H CYS 20 5.925 1.736 -4.148 144 HA CYS 20 HA CYS 20 4.442 -0.815 -3.928 145 HB2 CYS 20 HB2 CYS 20 3.597 1.927 -4.900 146 HB3 CYS 20 HB3 CYS 20 2.551 0.506 -4.879 147 HA PRO 21 HA PRO 21 5.678 -1.820 -8.116 148 HB2 PRO 21 HB2 PRO 21 4.087 -3.990 -8.594 149 HB3 PRO 21 HB3 PRO 21 5.456 -4.033 -7.437 150 HG2 PRO 21 HG2 PRO 21 2.518 -3.606 -6.836 151 HG3 PRO 21 HG3 PRO 21 3.654 -4.707 -6.007 152 HD2 PRO 21 HD2 PRO 21 3.079 -2.273 -4.981 153 HD3 PRO 21 HD3 PRO 21 4.718 -2.979 -4.863 154 H SER 22 H SER 22 5.246 -0.603 -9.735 155 HA SER 22 HA SER 22 2.968 0.870 -10.267 156 HB2 SER 22 HB2 SER 22 4.959 -0.164 -12.328 157 HB3 SER 22 HB3 SER 22 3.985 1.311 -12.411 158 HG SER 22 HG SER 22 6.131 1.754 -11.736 159 H ASN 23 H ASN 23 3.648 -2.425 -11.315 160 HA ASN 23 HA ASN 23 1.701 -2.523 -13.431 161 HB2 ASN 23 HB2 ASN 23 3.050 -4.823 -11.955 162 HB3 ASN 23 HB3 ASN 23 2.306 -4.875 -13.553 163 HD21 ASN 23 HD21 ASN 23 3.322 -3.186 -15.185 164 HD22 ASN 23 HD22 ASN 23 5.074 -3.092 -15.106 165 H ARG 24 H ARG 24 1.104 -2.480 -10.118 166 HA ARG 24 HA ARG 24 -1.521 -3.927 -10.389 167 HB2 ARG 24 HB2 ARG 24 0.249 -3.156 -8.090 168 HB3 ARG 24 HB3 ARG 24 -1.485 -3.087 -7.833 169 HG2 ARG 24 HG2 ARG 24 -0.727 -5.181 -7.065 170 HG3 ARG 24 HG3 ARG 24 -1.735 -5.453 -8.474 171 HD2 ARG 24 HD2 ARG 24 1.313 -5.435 -8.557 172 HD3 ARG 24 HD3 ARG 24 0.351 -6.877 -8.219 173 HE ARG 24 HE ARG 24 -0.170 -5.352 -10.726 174 HH11 ARG 24 HH11 ARG 24 0.995 -8.378 -9.391 175 HH12 ARG 24 HH12 ARG 24 0.992 -9.143 -10.957 176 HH21 ARG 24 HH21 ARG 24 -0.106 -6.323 -12.617 177 HH22 ARG 24 HH22 ARG 24 0.360 -8.004 -12.755 178 H GLY 25 H GLY 25 -0.325 -0.816 -10.886 179 HA2 GLY 25 HA2 GLY 25 -1.502 1.004 -11.648 180 HA3 GLY 25 HA3 GLY 25 -3.005 0.097 -11.458 181 H TYR 26 H TYR 26 -0.751 0.759 -8.793 182 HA TYR 26 HA TYR 26 -2.806 1.831 -7.121 183 HB2 TYR 26 HB2 TYR 26 0.219 1.822 -6.871 184 HB3 TYR 26 HB3 TYR 26 -0.871 2.324 -5.577 185 HD1 TYR 26 HD1 TYR 26 1.142 -0.328 -6.493 186 HD2 TYR 26 HD2 TYR 26 -2.954 0.447 -5.326 187 HE1 TYR 26 HE1 TYR 26 0.898 -2.662 -5.694 188 HE2 TYR 26 HE2 TYR 26 -3.189 -1.914 -4.607 189 HH TYR 26 HH TYR 26 -2.203 -3.973 -4.554 190 H THR 27 H THR 27 -3.197 3.867 -6.333 191 HA THR 27 HA THR 27 -2.306 6.134 -8.068 192 HB THR 27 HB THR 27 -4.754 5.470 -7.848 193 HG1 THR 27 HG1 THR 27 -5.349 7.616 -7.959 194 HG21 THR 27 HG21 THR 27 -4.613 7.071 -5.257 195 HG22 THR 27 HG22 THR 27 -6.040 6.334 -6.014 196 HG23 THR 27 HG23 THR 27 -4.781 5.307 -5.314 197 H GLY 28 H GLY 28 -1.906 4.889 -4.876 198 HA2 GLY 28 HA2 GLY 28 0.030 6.897 -4.220 199 HA3 GLY 28 HA3 GLY 28 -1.447 7.166 -3.301 200 H SER 29 H SER 29 0.608 6.756 -1.792 201 HA SER 29 HA SER 29 0.389 4.059 -0.629 202 HB2 SER 29 HB2 SER 29 2.755 3.583 -0.860 203 HB3 SER 29 HB3 SER 29 2.022 3.838 -2.459 204 HG SER 29 HG SER 29 4.021 4.941 -2.279 205 H CYS 30 H CYS 30 1.678 3.782 1.331 206 HA CYS 30 HA CYS 30 3.024 6.074 2.467 207 HB2 CYS 30 HB2 CYS 30 1.707 6.371 4.451 208 HB3 CYS 30 HB3 CYS 30 0.608 6.503 3.077 209 H GLY 31 H GLY 31 4.569 5.513 4.018 210 HA2 GLY 31 HA2 GLY 31 5.352 2.758 4.178 211 HA3 GLY 31 HA3 GLY 31 6.000 4.063 5.167 212 H TYR 32 H TYR 32 4.894 1.182 5.695 213 HA TYR 32 HA TYR 32 2.777 1.835 7.708 214 HB2 TYR 32 HB2 TYR 32 2.448 0.432 5.428 215 HB3 TYR 32 HB3 TYR 32 3.015 -0.873 6.446 216 HD1 TYR 32 HD1 TYR 32 1.232 -2.132 7.412 217 HD2 TYR 32 HD2 TYR 32 0.660 2.070 6.606 218 HE1 TYR 32 HE1 TYR 32 -1.124 -2.301 8.191 219 HE2 TYR 32 HE2 TYR 32 -1.692 1.895 7.398 220 HH TYR 32 HH TYR 32 -3.084 -1.171 8.602 221 H PHE 33 H PHE 33 2.620 -0.449 9.156 222 HA PHE 33 HA PHE 33 5.050 -0.533 10.759 223 HB2 PHE 33 HB2 PHE 33 2.820 -1.048 11.680 224 HB3 PHE 33 HB3 PHE 33 2.731 -2.468 10.628 225 HD1 PHE 33 HD1 PHE 33 5.042 -0.940 13.201 226 HD2 PHE 33 HD2 PHE 33 3.318 -4.541 11.562 227 HE1 PHE 33 HE1 PHE 33 6.210 -2.289 14.929 228 HE2 PHE 33 HE2 PHE 33 4.474 -5.883 13.305 229 HZ PHE 33 HZ PHE 33 5.926 -4.760 14.984 230 H LEU 34 H LEU 34 6.836 -1.449 10.225 231 HA LEU 34 HA LEU 34 8.462 -2.568 9.286 232 HB2 LEU 34 HB2 LEU 34 6.559 -4.878 8.860 233 HB3 LEU 34 HB3 LEU 34 8.316 -4.949 8.877 234 HG LEU 34 HG LEU 34 6.556 -4.210 11.258 235 HD11 LEU 34 HD11 LEU 34 6.353 -6.557 10.610 236 HD12 LEU 34 HD12 LEU 34 8.125 -6.742 10.667 237 HD13 LEU 34 HD13 LEU 34 7.206 -6.382 12.151 238 HD21 LEU 34 HD21 LEU 34 8.740 -3.125 11.469 239 HD22 LEU 34 HD22 LEU 34 8.618 -4.474 12.597 240 HD23 LEU 34 HD23 LEU 34 9.564 -4.661 11.101 241 H GLY 35 H GLY 35 5.706 -3.422 7.162 242 HA2 GLY 35 HA2 GLY 35 7.332 -3.010 4.708 243 HA3 GLY 35 HA3 GLY 35 5.723 -3.705 4.833 244 H ILE 36 H ILE 36 4.835 -2.500 3.251 245 HA ILE 36 HA ILE 36 4.317 0.401 3.758 246 HB ILE 36 HB ILE 36 6.050 0.568 2.251 247 HG12 ILE 36 HG12 ILE 36 3.642 0.519 0.381 248 HG13 ILE 36 HG13 ILE 36 3.919 1.775 1.568 249 HG21 ILE 36 HG21 ILE 36 6.273 -1.804 1.554 250 HG22 ILE 36 HG22 ILE 36 4.863 -1.600 0.491 251 HG23 ILE 36 HG23 ILE 36 6.363 -0.700 0.195 252 HD11 ILE 36 HD11 ILE 36 6.150 2.234 0.453 253 HD12 ILE 36 HD12 ILE 36 5.605 1.132 -0.850 254 HD13 ILE 36 HD13 ILE 36 4.706 2.615 -0.494 255 H CYS 37 H CYS 37 2.424 1.231 2.994 256 HA CYS 37 HA CYS 37 0.231 -0.662 2.286 257 HB2 CYS 37 HB2 CYS 37 -0.052 0.675 4.290 258 HB3 CYS 37 HB3 CYS 37 0.414 2.130 3.433 259 H CYS 38 H CYS 38 -0.617 -0.555 0.257 260 HA CYS 38 HA CYS 38 0.008 1.749 -1.558 261 HB2 CYS 38 HB2 CYS 38 -0.106 -1.193 -2.257 262 HB3 CYS 38 HB3 CYS 38 0.230 0.120 -3.372 263 H TYR 39 H TYR 39 -1.796 2.560 -2.595 264 HA TYR 39 HA TYR 39 -4.348 1.053 -2.329 265 HB2 TYR 39 HB2 TYR 39 -5.474 3.155 -1.598 266 HB3 TYR 39 HB3 TYR 39 -4.421 2.386 -0.446 267 HD1 TYR 39 HD1 TYR 39 -2.628 3.525 0.585 268 HD2 TYR 39 HD2 TYR 39 -4.716 5.291 -2.754 269 HE1 TYR 39 HE1 TYR 39 -1.599 5.730 1.111 270 HE2 TYR 39 HE2 TYR 39 -3.692 7.501 -2.217 271 HH TYR 39 HH TYR 39 -1.413 7.940 0.511 272 HA PRO 40 HA PRO 40 -6.769 1.822 -2.730 273 HB2 PRO 40 HB2 PRO 40 -8.509 0.744 -4.509 274 HB3 PRO 40 HB3 PRO 40 -8.290 2.511 -4.320 275 HG2 PRO 40 HG2 PRO 40 -6.968 0.683 -6.367 276 HG3 PRO 40 HG3 PRO 40 -7.874 2.204 -6.672 277 HD2 PRO 40 HD2 PRO 40 -5.168 2.195 -6.479 278 HD3 PRO 40 HD3 PRO 40 -6.134 3.528 -5.787 279 H VAL 41 H VAL 41 -7.732 -0.214 -2.102 280 HA VAL 41 HA VAL 41 -5.971 -2.429 -1.964 281 HB VAL 41 HB VAL 41 -7.686 -1.764 -0.296 282 HG11 VAL 41 HG11 VAL 41 -9.743 -3.093 -2.091 283 HG12 VAL 41 HG12 VAL 41 -9.995 -2.416 -0.471 284 HG13 VAL 41 HG13 VAL 41 -9.609 -1.342 -1.822 285 HG21 VAL 41 HG21 VAL 41 -6.684 -3.945 -0.088 286 HG22 VAL 41 HG22 VAL 41 -8.382 -4.018 0.372 287 HG23 VAL 41 HG23 VAL 41 -7.881 -4.653 -1.205 288 H ASP 42 H ASP 42 -5.875 -4.390 -3.002 289 HA ASP 42 HA ASP 42 -6.917 -4.523 -5.721 290 HB2 ASP 42 HB2 ASP 42 -4.613 -5.170 -5.174 291 HB3 ASP 42 HB3 ASP 42 -5.208 -6.471 -4.146 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -3.893 -12.543 0.476 2 H2 GLY 1 H2 GLY 1 -5.075 -12.409 1.605 3 H3 GLY 1 H3 GLY 1 -3.508 -12.510 2.069 4 HA2 GLY 1 HA2 GLY 1 -2.998 -10.387 1.063 5 HA3 GLY 1 HA3 GLY 1 -4.689 -10.280 0.538 6 H THR 2 H THR 2 -3.124 -8.493 2.303 7 HA THR 2 HA THR 2 -4.844 -8.527 4.756 8 HB THR 2 HB THR 2 -1.863 -7.921 4.671 9 HG1 THR 2 HG1 THR 2 -1.684 -9.828 5.848 10 HG21 THR 2 HG21 THR 2 -2.972 -6.639 6.448 11 HG22 THR 2 HG22 THR 2 -3.825 -8.098 7.005 12 HG23 THR 2 HG23 THR 2 -2.058 -7.970 7.160 13 H THR 3 H THR 3 -5.697 -6.539 5.313 14 HA THR 3 HA THR 3 -5.474 -4.397 3.396 15 HB THR 3 HB THR 3 -6.999 -3.362 5.431 16 HG1 THR 3 HG1 THR 3 -8.277 -5.050 6.197 17 HG21 THR 3 HG21 THR 3 -8.927 -4.257 4.118 18 HG22 THR 3 HG22 THR 3 -7.661 -3.479 3.148 19 HG23 THR 3 HG23 THR 3 -7.779 -5.256 3.192 20 H CYS 4 H CYS 4 -5.169 -2.243 3.821 21 HA CYS 4 HA CYS 4 -3.728 -1.443 6.256 22 HB2 CYS 4 HB2 CYS 4 -1.914 -0.463 5.144 23 HB3 CYS 4 HB3 CYS 4 -2.097 -2.031 4.383 24 H TYR 5 H TYR 5 -3.594 1.039 6.438 25 HA TYR 5 HA TYR 5 -5.809 2.426 5.009 26 HB2 TYR 5 HB2 TYR 5 -5.512 2.322 8.034 27 HB3 TYR 5 HB3 TYR 5 -6.595 3.383 7.155 28 HD1 TYR 5 HD1 TYR 5 -5.960 -0.132 8.160 29 HD2 TYR 5 HD2 TYR 5 -8.688 2.593 6.218 30 HE1 TYR 5 HE1 TYR 5 -7.747 -1.862 8.248 31 HE2 TYR 5 HE2 TYR 5 -10.488 0.871 6.347 32 HH TYR 5 HH TYR 5 -9.935 -2.365 7.785 33 H CYS 6 H CYS 6 -5.306 4.436 4.392 34 HA CYS 6 HA CYS 6 -3.596 6.134 6.110 35 HB2 CYS 6 HB2 CYS 6 -2.708 5.044 3.484 36 HB3 CYS 6 HB3 CYS 6 -2.468 6.770 3.691 37 H GLY 7 H GLY 7 -4.313 8.213 6.160 38 HA2 GLY 7 HA2 GLY 7 -5.466 10.137 5.619 39 HA3 GLY 7 HA3 GLY 7 -4.940 9.791 3.969 40 H LYS 8 H LYS 8 -7.338 8.200 6.097 41 HA LYS 8 HA LYS 8 -9.439 7.426 5.775 42 HB2 LYS 8 HB2 LYS 8 -9.683 10.046 5.588 43 HB3 LYS 8 HB3 LYS 8 -10.103 9.688 3.911 44 HG2 LYS 8 HG2 LYS 8 -11.847 8.015 4.941 45 HG3 LYS 8 HG3 LYS 8 -11.519 8.828 6.468 46 HD2 LYS 8 HD2 LYS 8 -12.558 10.119 3.905 47 HD3 LYS 8 HD3 LYS 8 -13.519 9.724 5.337 48 HE2 LYS 8 HE2 LYS 8 -12.174 11.317 6.688 49 HE3 LYS 8 HE3 LYS 8 -11.209 11.719 5.261 50 HZ1 LYS 8 HZ1 LYS 8 -13.241 12.548 4.199 51 HZ2 LYS 8 HZ2 LYS 8 -14.133 12.182 5.518 52 HZ3 LYS 8 HZ3 LYS 8 -12.984 13.336 5.603 53 H THR 9 H THR 9 -7.327 6.666 3.769 54 HA THR 9 HA THR 9 -9.095 5.469 1.681 55 HB THR 9 HB THR 9 -6.189 6.273 1.272 56 HG1 THR 9 HG1 THR 9 -7.462 8.116 1.448 57 HG21 THR 9 HG21 THR 9 -8.392 5.421 -0.661 58 HG22 THR 9 HG22 THR 9 -6.741 5.915 -1.098 59 HG23 THR 9 HG23 THR 9 -7.000 4.433 -0.169 60 H ILE 10 H ILE 10 -9.302 3.415 2.111 61 HA ILE 10 HA ILE 10 -7.332 1.793 3.531 62 HB ILE 10 HB ILE 10 -9.759 1.493 3.776 63 HG12 ILE 10 HG12 ILE 10 -8.393 -0.965 2.594 64 HG13 ILE 10 HG13 ILE 10 -8.297 -0.400 4.267 65 HG21 ILE 10 HG21 ILE 10 -9.751 0.477 0.914 66 HG22 ILE 10 HG22 ILE 10 -11.156 0.633 2.000 67 HG23 ILE 10 HG23 ILE 10 -10.336 2.078 1.413 68 HD11 ILE 10 HD11 ILE 10 -10.731 -1.517 2.837 69 HD12 ILE 10 HD12 ILE 10 -9.885 -2.165 4.250 70 HD13 ILE 10 HD13 ILE 10 -10.827 -0.676 4.404 71 H GLY 11 H GLY 11 -6.043 0.182 2.681 72 HA2 GLY 11 HA2 GLY 11 -5.785 -0.124 -0.269 73 HA3 GLY 11 HA3 GLY 11 -4.401 0.373 0.689 74 H ILE 12 H ILE 12 -3.687 -1.549 -0.454 75 HA ILE 12 HA ILE 12 -4.050 -4.084 1.030 76 HB ILE 12 HB ILE 12 -3.705 -3.402 -1.757 77 HG12 ILE 12 HG12 ILE 12 -5.256 -5.020 -0.965 78 HG13 ILE 12 HG13 ILE 12 -4.172 -5.689 -2.183 79 HG21 ILE 12 HG21 ILE 12 -1.341 -5.007 -0.766 80 HG22 ILE 12 HG22 ILE 12 -1.917 -4.936 -2.432 81 HG23 ILE 12 HG23 ILE 12 -1.377 -3.445 -1.633 82 HD11 ILE 12 HD11 ILE 12 -4.140 -6.295 0.778 83 HD12 ILE 12 HD12 ILE 12 -4.523 -7.389 -0.549 84 HD13 ILE 12 HD13 ILE 12 -2.857 -6.817 -0.343 85 H TYR 13 H TYR 13 -2.337 -5.007 2.050 86 HA TYR 13 HA TYR 13 -0.016 -3.228 2.641 87 HB2 TYR 13 HB2 TYR 13 -1.199 -4.053 4.576 88 HB3 TYR 13 HB3 TYR 13 -1.063 -5.711 4.009 89 HD1 TYR 13 HD1 TYR 13 1.099 -2.758 4.907 90 HD2 TYR 13 HD2 TYR 13 0.724 -7.055 4.696 91 HE1 TYR 13 HE1 TYR 13 3.285 -3.009 6.085 92 HE2 TYR 13 HE2 TYR 13 2.906 -7.299 5.872 93 HH TYR 13 HH TYR 13 4.627 -4.499 7.196 94 H TRP 14 H TRP 14 1.934 -3.542 1.897 95 HA TRP 14 HA TRP 14 2.774 -6.202 0.805 96 HB2 TRP 14 HB2 TRP 14 3.433 -3.368 -0.004 97 HB3 TRP 14 HB3 TRP 14 4.421 -4.744 -0.489 98 HD1 TRP 14 HD1 TRP 14 1.227 -2.967 -1.295 99 HE1 TRP 14 HE1 TRP 14 0.130 -4.016 -3.395 100 HE3 TRP 14 HE3 TRP 14 4.213 -7.093 -1.794 101 HZ2 TRP 14 HZ2 TRP 14 0.474 -6.364 -5.002 102 HZ3 TRP 14 HZ3 TRP 14 3.804 -8.730 -3.619 103 HH2 TRP 14 HH2 TRP 14 1.939 -8.386 -5.220 104 H PHE 15 H PHE 15 4.486 -7.169 1.714 105 HA PHE 15 HA PHE 15 5.807 -5.883 4.049 106 HB2 PHE 15 HB2 PHE 15 4.701 -7.974 4.480 107 HB3 PHE 15 HB3 PHE 15 5.503 -8.752 3.125 108 HD1 PHE 15 HD1 PHE 15 7.598 -9.845 3.404 109 HD2 PHE 15 HD2 PHE 15 6.184 -7.137 6.449 110 HE1 PHE 15 HE1 PHE 15 9.473 -10.523 4.884 111 HE2 PHE 15 HE2 PHE 15 8.059 -7.813 7.921 112 HZ PHE 15 HZ PHE 15 9.709 -9.508 7.145 113 H GLY 16 H GLY 16 7.968 -5.582 4.225 114 HA2 GLY 16 HA2 GLY 16 10.204 -5.535 3.845 115 HA3 GLY 16 HA3 GLY 16 9.981 -6.990 2.885 116 H THR 17 H THR 17 8.307 -5.370 0.906 117 HA THR 17 HA THR 17 10.378 -4.900 -0.963 118 HB THR 17 HB THR 17 8.162 -5.725 -1.543 119 HG1 THR 17 HG1 THR 17 7.879 -4.481 -3.381 120 HG21 THR 17 HG21 THR 17 7.152 -2.918 -0.950 121 HG22 THR 17 HG22 THR 17 6.244 -4.184 -1.789 122 HG23 THR 17 HG23 THR 17 6.702 -4.402 -0.093 123 H LYS 18 H LYS 18 8.920 -2.638 1.206 124 HA LYS 18 HA LYS 18 9.088 -0.433 1.642 125 HB2 LYS 18 HB2 LYS 18 11.541 -1.150 1.553 126 HB3 LYS 18 HB3 LYS 18 11.611 -0.357 -0.025 127 HG2 LYS 18 HG2 LYS 18 10.891 1.796 1.098 128 HG3 LYS 18 HG3 LYS 18 10.881 0.938 2.642 129 HD2 LYS 18 HD2 LYS 18 12.924 2.170 2.493 130 HD3 LYS 18 HD3 LYS 18 13.338 0.457 2.317 131 HE2 LYS 18 HE2 LYS 18 13.468 0.739 -0.149 132 HE3 LYS 18 HE3 LYS 18 12.964 2.426 0.007 133 HZ1 LYS 18 HZ1 LYS 18 15.009 2.853 1.263 134 HZ2 LYS 18 HZ2 LYS 18 15.478 1.294 1.117 135 HZ3 LYS 18 HZ3 LYS 18 15.372 2.242 -0.205 136 H THR 19 H THR 19 9.028 -1.182 -1.754 137 HA THR 19 HA THR 19 7.836 1.501 -2.346 138 HB THR 19 HB THR 19 10.055 0.972 -3.422 139 HG1 THR 19 HG1 THR 19 9.350 1.866 -5.346 140 HG21 THR 19 HG21 THR 19 9.593 -1.427 -4.019 141 HG22 THR 19 HG22 THR 19 8.373 -0.874 -5.186 142 HG23 THR 19 HG23 THR 19 10.082 -0.440 -5.406 143 H CYS 20 H CYS 20 6.276 1.518 -4.159 144 HA CYS 20 HA CYS 20 4.354 -0.726 -3.860 145 HB2 CYS 20 HB2 CYS 20 3.902 1.908 -3.598 146 HB3 CYS 20 HB3 CYS 20 3.692 1.812 -5.329 147 HA PRO 21 HA PRO 21 5.734 -2.090 -7.890 148 HB2 PRO 21 HB2 PRO 21 3.799 -3.973 -8.474 149 HB3 PRO 21 HB3 PRO 21 5.147 -4.226 -7.323 150 HG2 PRO 21 HG2 PRO 21 2.306 -3.402 -6.723 151 HG3 PRO 21 HG3 PRO 21 3.295 -4.631 -5.873 152 HD2 PRO 21 HD2 PRO 21 3.028 -2.175 -4.832 153 HD3 PRO 21 HD3 PRO 21 4.593 -3.028 -4.774 154 H SER 22 H SER 22 5.673 -0.781 -9.475 155 HA SER 22 HA SER 22 3.838 1.153 -10.019 156 HB2 SER 22 HB2 SER 22 5.757 -0.068 -12.041 157 HB3 SER 22 HB3 SER 22 5.144 1.595 -12.002 158 HG SER 22 HG SER 22 7.255 1.426 -11.111 159 H ASN 23 H ASN 23 3.867 -2.048 -11.541 160 HA ASN 23 HA ASN 23 2.015 -1.250 -13.669 161 HB2 ASN 23 HB2 ASN 23 3.263 -3.923 -12.918 162 HB3 ASN 23 HB3 ASN 23 2.278 -3.648 -14.352 163 HD21 ASN 23 HD21 ASN 23 5.386 -4.094 -13.629 164 HD22 ASN 23 HD22 ASN 23 6.113 -3.007 -14.803 165 H ARG 24 H ARG 24 1.413 -2.001 -10.453 166 HA ARG 24 HA ARG 24 -0.943 -3.685 -10.918 167 HB2 ARG 24 HB2 ARG 24 0.780 -3.881 -9.065 168 HB3 ARG 24 HB3 ARG 24 -0.039 -2.541 -8.265 169 HG2 ARG 24 HG2 ARG 24 -1.960 -3.818 -7.816 170 HG3 ARG 24 HG3 ARG 24 -1.734 -4.854 -9.237 171 HD2 ARG 24 HD2 ARG 24 0.229 -5.897 -8.172 172 HD3 ARG 24 HD3 ARG 24 -0.088 -4.966 -6.695 173 HE ARG 24 HE ARG 24 -2.476 -6.148 -6.946 174 HH11 ARG 24 HH11 ARG 24 0.584 -7.795 -7.517 175 HH12 ARG 24 HH12 ARG 24 -0.125 -9.343 -7.142 176 HH21 ARG 24 HH21 ARG 24 -3.254 -7.997 -6.548 177 HH22 ARG 24 HH22 ARG 24 -2.290 -9.480 -6.566 178 H GLY 25 H GLY 25 -0.501 -0.386 -11.015 179 HA2 GLY 25 HA2 GLY 25 -2.086 1.174 -11.690 180 HA3 GLY 25 HA3 GLY 25 -3.374 0.014 -11.372 181 H TYR 26 H TYR 26 -1.095 0.816 -8.807 182 HA TYR 26 HA TYR 26 -3.179 1.775 -7.074 183 HB2 TYR 26 HB2 TYR 26 -0.151 1.839 -6.820 184 HB3 TYR 26 HB3 TYR 26 -1.259 2.262 -5.524 185 HD1 TYR 26 HD1 TYR 26 0.911 -0.199 -6.260 186 HD2 TYR 26 HD2 TYR 26 -3.320 0.267 -5.460 187 HE1 TYR 26 HE1 TYR 26 0.756 -2.563 -5.483 188 HE2 TYR 26 HE2 TYR 26 -3.446 -2.090 -4.710 189 HH TYR 26 HH TYR 26 -2.311 -4.061 -4.475 190 H THR 27 H THR 27 -3.632 3.806 -6.270 191 HA THR 27 HA THR 27 -2.861 6.113 -7.983 192 HB THR 27 HB THR 27 -4.649 7.311 -6.798 193 HG1 THR 27 HG1 THR 27 -5.973 6.183 -5.394 194 HG21 THR 27 HG21 THR 27 -6.560 6.110 -7.721 195 HG22 THR 27 HG22 THR 27 -5.200 6.018 -8.851 196 HG23 THR 27 HG23 THR 27 -5.614 4.612 -7.847 197 H GLY 28 H GLY 28 -2.019 4.736 -4.936 198 HA2 GLY 28 HA2 GLY 28 0.150 6.526 -4.573 199 HA3 GLY 28 HA3 GLY 28 -1.145 7.015 -3.482 200 H SER 29 H SER 29 0.979 6.411 -2.200 201 HA SER 29 HA SER 29 0.356 3.962 -0.759 202 HB2 SER 29 HB2 SER 29 2.591 2.989 -0.904 203 HB3 SER 29 HB3 SER 29 1.830 3.075 -2.492 204 HG SER 29 HG SER 29 3.077 4.938 -2.937 205 H CYS 30 H CYS 30 1.692 3.691 1.206 206 HA CYS 30 HA CYS 30 3.191 6.016 2.195 207 HB2 CYS 30 HB2 CYS 30 1.816 6.299 4.195 208 HB3 CYS 30 HB3 CYS 30 0.844 6.603 2.755 209 H GLY 31 H GLY 31 4.648 5.480 3.862 210 HA2 GLY 31 HA2 GLY 31 5.435 2.737 4.078 211 HA3 GLY 31 HA3 GLY 31 6.020 4.055 5.091 212 H TYR 32 H TYR 32 4.950 1.150 5.567 213 HA TYR 32 HA TYR 32 2.975 1.781 7.727 214 HB2 TYR 32 HB2 TYR 32 2.222 0.773 5.388 215 HB3 TYR 32 HB3 TYR 32 2.800 -0.731 6.072 216 HD1 TYR 32 HD1 TYR 32 1.192 -2.004 7.338 217 HD2 TYR 32 HD2 TYR 32 0.636 2.248 6.835 218 HE1 TYR 32 HE1 TYR 32 -1.079 -2.174 8.348 219 HE2 TYR 32 HE2 TYR 32 -1.604 2.081 7.890 220 HH TYR 32 HH TYR 32 -3.144 0.704 8.893 221 H PHE 33 H PHE 33 2.684 -0.346 9.148 222 HA PHE 33 HA PHE 33 5.124 -0.750 10.540 223 HB2 PHE 33 HB2 PHE 33 2.850 -1.066 11.475 224 HB3 PHE 33 HB3 PHE 33 2.663 -2.505 10.465 225 HD1 PHE 33 HD1 PHE 33 5.206 -1.140 12.918 226 HD2 PHE 33 HD2 PHE 33 2.876 -4.530 11.610 227 HE1 PHE 33 HE1 PHE 33 6.187 -2.520 14.733 228 HE2 PHE 33 HE2 PHE 33 3.844 -5.898 13.441 229 HZ PHE 33 HZ PHE 33 5.506 -4.899 14.999 230 H LEU 34 H LEU 34 6.837 -1.964 10.121 231 HA LEU 34 HA LEU 34 8.311 -3.317 9.169 232 HB2 LEU 34 HB2 LEU 34 6.091 -5.359 9.001 233 HB3 LEU 34 HB3 LEU 34 7.819 -5.684 9.044 234 HG LEU 34 HG LEU 34 6.225 -4.458 11.333 235 HD11 LEU 34 HD11 LEU 34 7.305 -7.259 10.898 236 HD12 LEU 34 HD12 LEU 34 6.493 -6.662 12.370 237 HD13 LEU 34 HD13 LEU 34 5.599 -6.757 10.838 238 HD21 LEU 34 HD21 LEU 34 8.582 -3.769 11.431 239 HD22 LEU 34 HD22 LEU 34 8.225 -4.956 12.690 240 HD23 LEU 34 HD23 LEU 34 9.100 -5.461 11.223 241 H GLY 35 H GLY 35 6.151 -2.016 7.207 242 HA2 GLY 35 HA2 GLY 35 7.452 -2.798 4.692 243 HA3 GLY 35 HA3 GLY 35 5.853 -3.503 4.912 244 H ILE 36 H ILE 36 4.660 -2.461 3.429 245 HA ILE 36 HA ILE 36 4.291 0.468 3.602 246 HB ILE 36 HB ILE 36 6.037 0.465 2.080 247 HG12 ILE 36 HG12 ILE 36 3.614 0.366 0.248 248 HG13 ILE 36 HG13 ILE 36 3.880 1.658 1.392 249 HG21 ILE 36 HG21 ILE 36 4.750 -1.775 0.491 250 HG22 ILE 36 HG22 ILE 36 6.256 -0.949 0.085 251 HG23 ILE 36 HG23 ILE 36 6.183 -1.959 1.524 252 HD11 ILE 36 HD11 ILE 36 6.038 2.216 0.308 253 HD12 ILE 36 HD12 ILE 36 5.720 0.954 -0.910 254 HD13 ILE 36 HD13 ILE 36 4.658 2.350 -0.792 255 H CYS 37 H CYS 37 2.390 1.214 2.957 256 HA CYS 37 HA CYS 37 0.182 -0.707 2.369 257 HB2 CYS 37 HB2 CYS 37 -0.057 0.563 4.390 258 HB3 CYS 37 HB3 CYS 37 0.422 2.045 3.596 259 H CYS 38 H CYS 38 -0.652 -0.666 0.358 260 HA CYS 38 HA CYS 38 -0.140 1.624 -1.515 261 HB2 CYS 38 HB2 CYS 38 -0.151 -1.380 -1.950 262 HB3 CYS 38 HB3 CYS 38 -0.260 -0.207 -3.259 263 H TYR 39 H TYR 39 -1.943 2.413 -2.574 264 HA TYR 39 HA TYR 39 -4.522 1.002 -2.150 265 HB2 TYR 39 HB2 TYR 39 -5.544 3.211 -1.509 266 HB3 TYR 39 HB3 TYR 39 -4.551 2.397 -0.329 267 HD1 TYR 39 HD1 TYR 39 -2.662 3.428 0.662 268 HD2 TYR 39 HD2 TYR 39 -4.592 5.240 -2.750 269 HE1 TYR 39 HE1 TYR 39 -1.380 5.525 1.053 270 HE2 TYR 39 HE2 TYR 39 -3.330 7.347 -2.336 271 HH TYR 39 HH TYR 39 -0.964 7.675 0.332 272 HA PRO 40 HA PRO 40 -6.918 1.821 -2.526 273 HB2 PRO 40 HB2 PRO 40 -8.724 0.727 -4.235 274 HB3 PRO 40 HB3 PRO 40 -8.474 2.492 -4.085 275 HG2 PRO 40 HG2 PRO 40 -7.242 0.608 -6.134 276 HG3 PRO 40 HG3 PRO 40 -8.123 2.142 -6.440 277 HD2 PRO 40 HD2 PRO 40 -5.414 2.077 -6.323 278 HD3 PRO 40 HD3 PRO 40 -6.329 3.444 -5.625 279 H VAL 41 H VAL 41 -7.890 -0.182 -1.811 280 HA VAL 41 HA VAL 41 -6.157 -2.414 -1.670 281 HB VAL 41 HB VAL 41 -7.809 -1.739 0.033 282 HG11 VAL 41 HG11 VAL 41 -9.954 -2.986 -1.719 283 HG12 VAL 41 HG12 VAL 41 -10.142 -2.329 -0.083 284 HG13 VAL 41 HG13 VAL 41 -9.760 -1.244 -1.425 285 HG21 VAL 41 HG21 VAL 41 -8.542 -3.973 0.713 286 HG22 VAL 41 HG22 VAL 41 -8.136 -4.616 -0.887 287 HG23 VAL 41 HG23 VAL 41 -6.863 -3.962 0.179 288 H ASP 42 H ASP 42 -6.050 -4.346 -2.678 289 HA ASP 42 HA ASP 42 -7.615 -4.734 -5.195 290 HB2 ASP 42 HB2 ASP 42 -5.410 -3.875 -5.660 291 HB3 ASP 42 HB3 ASP 42 -4.659 -5.086 -4.627 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -6.067 -11.670 2.054 2 H2 GLY 1 H2 GLY 1 -6.044 -11.711 0.417 3 H3 GLY 1 H3 GLY 1 -7.004 -10.636 1.195 4 HA2 GLY 1 HA2 GLY 1 -4.054 -10.630 1.245 5 HA3 GLY 1 HA3 GLY 1 -5.062 -9.529 0.289 6 H THR 2 H THR 2 -3.148 -9.382 2.815 7 HA THR 2 HA THR 2 -4.719 -8.389 4.989 8 HB THR 2 HB THR 2 -1.796 -7.847 4.343 9 HG1 THR 2 HG1 THR 2 -1.448 -9.678 5.615 10 HG21 THR 2 HG21 THR 2 -2.595 -6.424 6.191 11 HG22 THR 2 HG22 THR 2 -3.317 -7.838 6.993 12 HG23 THR 2 HG23 THR 2 -1.552 -7.702 6.817 13 H THR 3 H THR 3 -5.671 -6.432 5.331 14 HA THR 3 HA THR 3 -5.474 -4.322 3.369 15 HB THR 3 HB THR 3 -6.965 -3.246 5.398 16 HG1 THR 3 HG1 THR 3 -8.226 -4.912 6.241 17 HG21 THR 3 HG21 THR 3 -7.797 -5.206 3.238 18 HG22 THR 3 HG22 THR 3 -8.920 -4.176 4.161 19 HG23 THR 3 HG23 THR 3 -7.675 -3.430 3.138 20 H CYS 4 H CYS 4 -5.159 -2.151 3.786 21 HA CYS 4 HA CYS 4 -3.700 -1.378 6.219 22 HB2 CYS 4 HB2 CYS 4 -1.929 -0.303 5.077 23 HB3 CYS 4 HB3 CYS 4 -2.055 -1.901 4.387 24 H TYR 5 H TYR 5 -3.654 1.054 6.540 25 HA TYR 5 HA TYR 5 -5.800 2.504 5.046 26 HB2 TYR 5 HB2 TYR 5 -5.542 2.331 8.070 27 HB3 TYR 5 HB3 TYR 5 -6.594 3.440 7.211 28 HD1 TYR 5 HD1 TYR 5 -6.039 -0.112 8.117 29 HD2 TYR 5 HD2 TYR 5 -8.696 2.721 6.236 30 HE1 TYR 5 HE1 TYR 5 -7.867 -1.802 8.160 31 HE2 TYR 5 HE2 TYR 5 -10.534 1.037 6.310 32 HH TYR 5 HH TYR 5 -10.064 -2.242 7.678 33 H CYS 6 H CYS 6 -5.234 4.505 4.430 34 HA CYS 6 HA CYS 6 -3.465 6.095 6.214 35 HB2 CYS 6 HB2 CYS 6 -2.626 5.029 3.610 36 HB3 CYS 6 HB3 CYS 6 -2.500 6.780 3.671 37 H GLY 7 H GLY 7 -4.164 8.147 6.479 38 HA2 GLY 7 HA2 GLY 7 -5.528 9.999 6.286 39 HA3 GLY 7 HA3 GLY 7 -5.299 9.854 4.538 40 H LYS 8 H LYS 8 -6.908 7.508 6.649 41 HA LYS 8 HA LYS 8 -8.829 6.341 6.471 42 HB2 LYS 8 HB2 LYS 8 -10.099 9.017 5.839 43 HB3 LYS 8 HB3 LYS 8 -10.947 7.545 6.324 44 HG2 LYS 8 HG2 LYS 8 -9.649 7.523 8.473 45 HG3 LYS 8 HG3 LYS 8 -8.889 9.046 8.001 46 HD2 LYS 8 HD2 LYS 8 -10.649 9.550 9.528 47 HD3 LYS 8 HD3 LYS 8 -11.141 10.130 7.930 48 HE2 LYS 8 HE2 LYS 8 -12.565 8.120 7.633 49 HE3 LYS 8 HE3 LYS 8 -12.012 7.482 9.187 50 HZ1 LYS 8 HZ1 LYS 8 -13.551 10.001 8.834 51 HZ2 LYS 8 HZ2 LYS 8 -14.160 8.595 9.395 52 HZ3 LYS 8 HZ3 LYS 8 -13.046 9.403 10.269 53 H THR 9 H THR 9 -7.209 6.732 3.991 54 HA THR 9 HA THR 9 -9.121 5.629 1.987 55 HB THR 9 HB THR 9 -6.261 6.595 1.552 56 HG1 THR 9 HG1 THR 9 -7.727 8.289 1.920 57 HG21 THR 9 HG21 THR 9 -8.423 5.688 -0.400 58 HG22 THR 9 HG22 THR 9 -6.858 6.408 -0.840 59 HG23 THR 9 HG23 THR 9 -6.904 4.834 -0.040 60 H ILE 10 H ILE 10 -9.271 3.539 2.242 61 HA ILE 10 HA ILE 10 -7.278 1.877 3.531 62 HB ILE 10 HB ILE 10 -9.699 1.588 3.798 63 HG12 ILE 10 HG12 ILE 10 -8.360 -0.850 2.554 64 HG13 ILE 10 HG13 ILE 10 -8.260 -0.322 4.238 65 HG21 ILE 10 HG21 ILE 10 -9.734 0.655 0.912 66 HG22 ILE 10 HG22 ILE 10 -11.124 0.790 2.019 67 HG23 ILE 10 HG23 ILE 10 -10.297 2.246 1.467 68 HD11 ILE 10 HD11 ILE 10 -9.861 -2.080 4.181 69 HD12 ILE 10 HD12 ILE 10 -10.795 -0.589 4.367 70 HD13 ILE 10 HD13 ILE 10 -10.701 -1.394 2.782 71 H GLY 11 H GLY 11 -6.010 0.261 2.627 72 HA2 GLY 11 HA2 GLY 11 -5.882 -0.076 -0.323 73 HA3 GLY 11 HA3 GLY 11 -4.443 0.436 0.550 74 H ILE 12 H ILE 12 -3.737 -1.497 -0.536 75 HA ILE 12 HA ILE 12 -4.082 -4.012 0.985 76 HB ILE 12 HB ILE 12 -3.714 -3.362 -1.808 77 HG12 ILE 12 HG12 ILE 12 -5.269 -4.977 -1.021 78 HG13 ILE 12 HG13 ILE 12 -4.161 -5.661 -2.208 79 HG21 ILE 12 HG21 ILE 12 -1.386 -3.409 -1.665 80 HG22 ILE 12 HG22 ILE 12 -1.364 -4.961 -0.780 81 HG23 ILE 12 HG23 ILE 12 -1.924 -4.904 -2.452 82 HD11 ILE 12 HD11 ILE 12 -2.878 -6.730 -0.288 83 HD12 ILE 12 HD12 ILE 12 -4.233 -6.226 0.756 84 HD13 ILE 12 HD13 ILE 12 -4.516 -7.341 -0.577 85 H TYR 13 H TYR 13 -2.389 -4.905 2.042 86 HA TYR 13 HA TYR 13 -0.053 -3.135 2.607 87 HB2 TYR 13 HB2 TYR 13 -1.253 -3.911 4.560 88 HB3 TYR 13 HB3 TYR 13 -1.124 -5.577 4.028 89 HD1 TYR 13 HD1 TYR 13 1.086 -2.623 4.815 90 HD2 TYR 13 HD2 TYR 13 0.609 -6.914 4.837 91 HE1 TYR 13 HE1 TYR 13 3.248 -2.860 6.042 92 HE2 TYR 13 HE2 TYR 13 2.759 -7.142 6.076 93 HH TYR 13 HH TYR 13 4.524 -4.307 7.273 94 H TRP 14 H TRP 14 1.901 -3.499 1.879 95 HA TRP 14 HA TRP 14 2.689 -6.185 0.818 96 HB2 TRP 14 HB2 TRP 14 3.384 -3.366 -0.013 97 HB3 TRP 14 HB3 TRP 14 4.366 -4.748 -0.470 98 HD1 TRP 14 HD1 TRP 14 1.188 -2.965 -1.344 99 HE1 TRP 14 HE1 TRP 14 0.115 -4.042 -3.437 100 HE3 TRP 14 HE3 TRP 14 4.161 -7.118 -1.741 101 HZ2 TRP 14 HZ2 TRP 14 0.468 -6.414 -5.009 102 HZ3 TRP 14 HZ3 TRP 14 3.766 -8.776 -3.551 103 HH2 TRP 14 HH2 TRP 14 1.925 -8.445 -5.180 104 H PHE 15 H PHE 15 4.326 -7.185 1.811 105 HA PHE 15 HA PHE 15 5.708 -5.853 4.082 106 HB2 PHE 15 HB2 PHE 15 4.511 -7.874 4.606 107 HB3 PHE 15 HB3 PHE 15 5.284 -8.748 3.292 108 HD1 PHE 15 HD1 PHE 15 7.338 -9.904 3.631 109 HD2 PHE 15 HD2 PHE 15 6.014 -7.009 6.541 110 HE1 PHE 15 HE1 PHE 15 9.176 -10.589 5.155 111 HE2 PHE 15 HE2 PHE 15 7.852 -7.692 8.057 112 HZ PHE 15 HZ PHE 15 9.437 -9.485 7.370 113 H GLY 16 H GLY 16 7.886 -5.644 4.239 114 HA2 GLY 16 HA2 GLY 16 10.121 -5.726 3.839 115 HA3 GLY 16 HA3 GLY 16 9.821 -7.176 2.892 116 H THR 17 H THR 17 8.200 -5.605 0.891 117 HA THR 17 HA THR 17 10.276 -5.118 -0.972 118 HB THR 17 HB THR 17 8.019 -5.960 -1.508 119 HG1 THR 17 HG1 THR 17 9.196 -5.142 -3.190 120 HG21 THR 17 HG21 THR 17 6.605 -4.526 -0.134 121 HG22 THR 17 HG22 THR 17 7.083 -3.101 -1.071 122 HG23 THR 17 HG23 THR 17 6.157 -4.393 -1.847 123 H LYS 18 H LYS 18 8.769 -2.882 1.181 124 HA LYS 18 HA LYS 18 9.008 -0.709 1.705 125 HB2 LYS 18 HB2 LYS 18 11.397 -1.555 1.634 126 HB3 LYS 18 HB3 LYS 18 11.574 -0.703 0.096 127 HG2 LYS 18 HG2 LYS 18 10.961 1.438 1.251 128 HG3 LYS 18 HG3 LYS 18 10.844 0.558 2.780 129 HD2 LYS 18 HD2 LYS 18 13.342 0.879 1.054 130 HD3 LYS 18 HD3 LYS 18 12.987 1.748 2.554 131 HE2 LYS 18 HE2 LYS 18 12.956 -0.432 3.787 132 HE3 LYS 18 HE3 LYS 18 13.384 -1.267 2.286 133 HZ1 LYS 18 HZ1 LYS 18 15.351 -0.819 3.632 134 HZ2 LYS 18 HZ2 LYS 18 15.455 0.018 2.236 135 HZ3 LYS 18 HZ3 LYS 18 15.065 0.787 3.626 136 H THR 19 H THR 19 9.156 -1.235 -1.748 137 HA THR 19 HA THR 19 7.905 1.451 -2.211 138 HB THR 19 HB THR 19 10.130 0.990 -3.313 139 HG1 THR 19 HG1 THR 19 9.415 1.985 -5.182 140 HG21 THR 19 HG21 THR 19 9.675 -1.377 -4.036 141 HG22 THR 19 HG22 THR 19 8.451 -0.765 -5.171 142 HG23 THR 19 HG23 THR 19 10.159 -0.315 -5.369 143 H CYS 20 H CYS 20 6.325 1.532 -4.032 144 HA CYS 20 HA CYS 20 4.437 -0.741 -3.797 145 HB2 CYS 20 HB2 CYS 20 3.897 1.853 -3.529 146 HB3 CYS 20 HB3 CYS 20 3.781 1.798 -5.272 147 HA PRO 21 HA PRO 21 5.736 -1.970 -7.927 148 HB2 PRO 21 HB2 PRO 21 3.965 -4.006 -8.415 149 HB3 PRO 21 HB3 PRO 21 5.316 -4.147 -7.248 150 HG2 PRO 21 HG2 PRO 21 2.420 -3.485 -6.680 151 HG3 PRO 21 HG3 PRO 21 3.466 -4.656 -5.819 152 HD2 PRO 21 HD2 PRO 21 3.059 -2.176 -4.826 153 HD3 PRO 21 HD3 PRO 21 4.641 -2.992 -4.692 154 H SER 22 H SER 22 5.434 -0.297 -9.153 155 HA SER 22 HA SER 22 3.185 1.186 -9.660 156 HB2 SER 22 HB2 SER 22 5.500 0.705 -11.581 157 HB3 SER 22 HB3 SER 22 4.470 2.139 -11.489 158 HG SER 22 HG SER 22 5.324 2.586 -9.437 159 H ASN 23 H ASN 23 4.130 -1.745 -11.391 160 HA ASN 23 HA ASN 23 2.361 -1.403 -13.650 161 HB2 ASN 23 HB2 ASN 23 3.747 -3.869 -12.504 162 HB3 ASN 23 HB3 ASN 23 2.916 -3.812 -14.054 163 HD21 ASN 23 HD21 ASN 23 5.964 -3.477 -12.636 164 HD22 ASN 23 HD22 ASN 23 6.715 -2.590 -13.951 165 H ARG 24 H ARG 24 1.601 -2.159 -10.394 166 HA ARG 24 HA ARG 24 -0.713 -3.862 -11.017 167 HB2 ARG 24 HB2 ARG 24 0.890 -4.065 -9.057 168 HB3 ARG 24 HB3 ARG 24 0.040 -2.711 -8.318 169 HG2 ARG 24 HG2 ARG 24 -1.919 -3.961 -7.975 170 HG3 ARG 24 HG3 ARG 24 -1.611 -5.022 -9.365 171 HD2 ARG 24 HD2 ARG 24 0.267 -6.062 -8.176 172 HD3 ARG 24 HD3 ARG 24 -0.092 -5.082 -6.741 173 HE ARG 24 HE ARG 24 -2.481 -6.241 -7.022 174 HH11 ARG 24 HH11 ARG 24 0.564 -7.949 -7.490 175 HH12 ARG 24 HH12 ARG 24 -0.176 -9.475 -7.082 176 HH21 ARG 24 HH21 ARG 24 -3.292 -8.064 -6.578 177 HH22 ARG 24 HH22 ARG 24 -2.352 -9.563 -6.541 178 H GLY 25 H GLY 25 -0.228 -0.553 -11.073 179 HA2 GLY 25 HA2 GLY 25 -1.748 1.025 -11.828 180 HA3 GLY 25 HA3 GLY 25 -3.071 -0.117 -11.590 181 H TYR 26 H TYR 26 -0.907 0.684 -8.911 182 HA TYR 26 HA TYR 26 -3.067 1.669 -7.278 183 HB2 TYR 26 HB2 TYR 26 -0.051 1.756 -6.891 184 HB3 TYR 26 HB3 TYR 26 -1.227 2.199 -5.659 185 HD1 TYR 26 HD1 TYR 26 0.988 -0.279 -6.299 186 HD2 TYR 26 HD2 TYR 26 -3.254 0.224 -5.581 187 HE1 TYR 26 HE1 TYR 26 0.796 -2.643 -5.526 188 HE2 TYR 26 HE2 TYR 26 -3.413 -2.125 -4.810 189 HH TYR 26 HH TYR 26 -2.303 -4.109 -4.556 190 H THR 27 H THR 27 -3.531 3.704 -6.512 191 HA THR 27 HA THR 27 -2.690 5.960 -8.268 192 HB THR 27 HB THR 27 -5.127 5.370 -7.832 193 HG1 THR 27 HG1 THR 27 -4.599 7.302 -8.748 194 HG21 THR 27 HG21 THR 27 -4.967 5.147 -5.329 195 HG22 THR 27 HG22 THR 27 -4.693 6.897 -5.229 196 HG23 THR 27 HG23 THR 27 -6.216 6.270 -5.886 197 H GLY 28 H GLY 28 -2.050 4.708 -5.118 198 HA2 GLY 28 HA2 GLY 28 0.069 6.563 -4.689 199 HA3 GLY 28 HA3 GLY 28 -1.290 7.003 -3.660 200 H SER 29 H SER 29 0.852 6.454 -2.334 201 HA SER 29 HA SER 29 0.311 3.952 -0.916 202 HB2 SER 29 HB2 SER 29 2.612 3.144 -1.063 203 HB3 SER 29 HB3 SER 29 1.890 3.246 -2.672 204 HG SER 29 HG SER 29 4.013 4.143 -2.642 205 H CYS 30 H CYS 30 1.644 3.729 1.063 206 HA CYS 30 HA CYS 30 3.112 6.064 2.004 207 HB2 CYS 30 HB2 CYS 30 1.828 6.493 3.982 208 HB3 CYS 30 HB3 CYS 30 0.722 6.593 2.614 209 H GLY 31 H GLY 31 4.637 5.557 3.613 210 HA2 GLY 31 HA2 GLY 31 5.410 2.811 3.870 211 HA3 GLY 31 HA3 GLY 31 6.043 4.149 4.828 212 H TYR 32 H TYR 32 4.955 1.274 5.422 213 HA TYR 32 HA TYR 32 2.962 1.973 7.543 214 HB2 TYR 32 HB2 TYR 32 2.286 0.818 5.252 215 HB3 TYR 32 HB3 TYR 32 2.909 -0.625 6.021 216 HD1 TYR 32 HD1 TYR 32 1.328 -1.894 7.341 217 HD2 TYR 32 HD2 TYR 32 0.604 2.291 6.561 218 HE1 TYR 32 HE1 TYR 32 -0.957 -2.116 8.282 219 HE2 TYR 32 HE2 TYR 32 -1.666 2.069 7.546 220 HH TYR 32 HH TYR 32 -2.925 -1.038 8.794 221 H PHE 33 H PHE 33 2.728 -0.072 9.093 222 HA PHE 33 HA PHE 33 5.243 -0.394 10.421 223 HB2 PHE 33 HB2 PHE 33 2.996 -0.573 11.486 224 HB3 PHE 33 HB3 PHE 33 2.755 -2.102 10.631 225 HD1 PHE 33 HD1 PHE 33 5.483 -0.540 12.752 226 HD2 PHE 33 HD2 PHE 33 2.977 -3.976 12.015 227 HE1 PHE 33 HE1 PHE 33 6.573 -1.741 14.630 228 HE2 PHE 33 HE2 PHE 33 4.056 -5.162 13.912 229 HZ PHE 33 HZ PHE 33 5.861 -4.051 15.214 230 H LEU 34 H LEU 34 6.881 -1.725 10.054 231 HA LEU 34 HA LEU 34 8.270 -3.192 9.126 232 HB2 LEU 34 HB2 LEU 34 5.942 -5.120 9.124 233 HB3 LEU 34 HB3 LEU 34 7.649 -5.538 9.116 234 HG LEU 34 HG LEU 34 6.230 -4.110 11.406 235 HD11 LEU 34 HD11 LEU 34 7.093 -7.001 11.074 236 HD12 LEU 34 HD12 LEU 34 6.389 -6.273 12.543 237 HD13 LEU 34 HD13 LEU 34 5.424 -6.382 11.058 238 HD21 LEU 34 HD21 LEU 34 8.247 -4.687 12.705 239 HD22 LEU 34 HD22 LEU 34 9.021 -5.324 11.235 240 HD23 LEU 34 HD23 LEU 34 8.634 -3.592 11.374 241 H GLY 35 H GLY 35 6.085 -1.893 7.162 242 HA2 GLY 35 HA2 GLY 35 7.333 -2.800 4.661 243 HA3 GLY 35 HA3 GLY 35 5.716 -3.446 4.922 244 H ILE 36 H ILE 36 4.597 -2.415 3.356 245 HA ILE 36 HA ILE 36 4.251 0.520 3.503 246 HB ILE 36 HB ILE 36 5.992 0.483 1.976 247 HG12 ILE 36 HG12 ILE 36 3.565 0.390 0.145 248 HG13 ILE 36 HG13 ILE 36 3.839 1.689 1.282 249 HG21 ILE 36 HG21 ILE 36 4.678 -1.743 0.390 250 HG22 ILE 36 HG22 ILE 36 6.208 -0.956 0.006 251 HG23 ILE 36 HG23 ILE 36 6.094 -1.958 1.443 252 HD11 ILE 36 HD11 ILE 36 4.615 2.347 -0.914 253 HD12 ILE 36 HD12 ILE 36 5.990 2.236 0.199 254 HD13 ILE 36 HD13 ILE 36 5.683 0.949 -0.997 255 H CYS 37 H CYS 37 2.359 1.284 2.819 256 HA CYS 37 HA CYS 37 0.131 -0.622 2.260 257 HB2 CYS 37 HB2 CYS 37 -0.064 0.759 4.243 258 HB3 CYS 37 HB3 CYS 37 0.362 2.197 3.336 259 H CYS 38 H CYS 38 -0.733 -0.594 0.255 260 HA CYS 38 HA CYS 38 -0.175 1.633 -1.676 261 HB2 CYS 38 HB2 CYS 38 -0.221 -1.376 -2.054 262 HB3 CYS 38 HB3 CYS 38 -0.263 -0.213 -3.378 263 H TYR 39 H TYR 39 -1.984 2.422 -2.738 264 HA TYR 39 HA TYR 39 -4.560 1.011 -2.317 265 HB2 TYR 39 HB2 TYR 39 -5.610 3.198 -1.666 266 HB3 TYR 39 HB3 TYR 39 -4.586 2.414 -0.496 267 HD1 TYR 39 HD1 TYR 39 -2.695 3.481 0.452 268 HD2 TYR 39 HD2 TYR 39 -4.763 5.251 -2.895 269 HE1 TYR 39 HE1 TYR 39 -1.463 5.615 0.824 270 HE2 TYR 39 HE2 TYR 39 -3.536 7.390 -2.517 271 HH TYR 39 HH TYR 39 -1.111 7.768 0.089 272 HA PRO 40 HA PRO 40 -6.969 1.817 -2.720 273 HB2 PRO 40 HB2 PRO 40 -8.736 0.667 -4.434 274 HB3 PRO 40 HB3 PRO 40 -8.512 2.437 -4.314 275 HG2 PRO 40 HG2 PRO 40 -7.216 0.536 -6.307 276 HG3 PRO 40 HG3 PRO 40 -8.124 2.045 -6.657 277 HD2 PRO 40 HD2 PRO 40 -5.419 2.047 -6.500 278 HD3 PRO 40 HD3 PRO 40 -6.374 3.399 -5.824 279 H VAL 41 H VAL 41 -7.937 -0.187 -1.985 280 HA VAL 41 HA VAL 41 -6.172 -2.397 -1.780 281 HB VAL 41 HB VAL 41 -7.848 -1.704 -0.104 282 HG11 VAL 41 HG11 VAL 41 -10.171 -2.328 -0.227 283 HG12 VAL 41 HG12 VAL 41 -9.793 -1.271 -1.593 284 HG13 VAL 41 HG13 VAL 41 -9.959 -3.022 -1.845 285 HG21 VAL 41 HG21 VAL 41 -6.867 -3.904 0.105 286 HG22 VAL 41 HG22 VAL 41 -8.550 -3.935 0.620 287 HG23 VAL 41 HG23 VAL 41 -8.112 -4.605 -0.962 288 H ASP 42 H ASP 42 -6.045 -4.349 -2.767 289 HA ASP 42 HA ASP 42 -7.585 -4.767 -5.295 290 HB2 ASP 42 HB2 ASP 42 -5.375 -3.876 -5.728 291 HB3 ASP 42 HB3 ASP 42 -4.629 -5.103 -4.712 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -7.143 -13.421 4.546 2 H2 GLY 1 H2 GLY 1 -7.429 -12.159 5.553 3 H3 GLY 1 H3 GLY 1 -6.107 -13.098 5.774 4 HA2 GLY 1 HA2 GLY 1 -5.165 -12.382 3.673 5 HA3 GLY 1 HA3 GLY 1 -6.590 -11.349 3.450 6 H THR 2 H THR 2 -5.168 -9.512 3.316 7 HA THR 2 HA THR 2 -4.643 -8.307 5.944 8 HB THR 2 HB THR 2 -2.512 -9.431 5.363 9 HG1 THR 2 HG1 THR 2 -1.361 -7.720 6.011 10 HG21 THR 2 HG21 THR 2 -1.052 -8.505 3.641 11 HG22 THR 2 HG22 THR 2 -2.521 -9.142 2.889 12 HG23 THR 2 HG23 THR 2 -2.323 -7.389 3.102 13 H THR 3 H THR 3 -4.249 -5.999 5.829 14 HA THR 3 HA THR 3 -5.209 -4.537 3.460 15 HB THR 3 HB THR 3 -6.839 -3.951 5.900 16 HG1 THR 3 HG1 THR 3 -7.112 -6.146 5.915 17 HG21 THR 3 HG21 THR 3 -8.625 -3.741 4.158 18 HG22 THR 3 HG22 THR 3 -7.242 -2.669 3.895 19 HG23 THR 3 HG23 THR 3 -7.424 -4.148 2.921 20 H CYS 4 H CYS 4 -5.137 -2.164 3.790 21 HA CYS 4 HA CYS 4 -3.675 -1.232 6.203 22 HB2 CYS 4 HB2 CYS 4 -1.929 -0.252 5.033 23 HB3 CYS 4 HB3 CYS 4 -2.065 -1.856 4.344 24 H TYR 5 H TYR 5 -3.655 1.176 6.380 25 HA TYR 5 HA TYR 5 -5.836 2.561 4.897 26 HB2 TYR 5 HB2 TYR 5 -5.609 2.402 7.928 27 HB3 TYR 5 HB3 TYR 5 -6.647 3.515 7.060 28 HD1 TYR 5 HD1 TYR 5 -6.117 -0.053 7.941 29 HD2 TYR 5 HD2 TYR 5 -8.765 2.834 6.129 30 HE1 TYR 5 HE1 TYR 5 -7.980 -1.711 8.013 31 HE2 TYR 5 HE2 TYR 5 -10.631 1.191 6.237 32 HH TYR 5 HH TYR 5 -11.282 -0.917 6.869 33 H CYS 6 H CYS 6 -5.308 4.594 4.325 34 HA CYS 6 HA CYS 6 -3.664 6.226 6.172 35 HB2 CYS 6 HB2 CYS 6 -2.697 5.274 3.525 36 HB3 CYS 6 HB3 CYS 6 -2.499 6.997 3.805 37 H GLY 7 H GLY 7 -4.445 8.265 6.355 38 HA2 GLY 7 HA2 GLY 7 -5.781 10.112 6.008 39 HA3 GLY 7 HA3 GLY 7 -5.382 9.931 4.297 40 H LYS 8 H LYS 8 -7.276 7.715 6.334 41 HA LYS 8 HA LYS 8 -9.218 6.599 6.004 42 HB2 LYS 8 HB2 LYS 8 -10.275 9.291 5.091 43 HB3 LYS 8 HB3 LYS 8 -11.259 7.882 5.493 44 HG2 LYS 8 HG2 LYS 8 -10.307 7.869 7.796 45 HG3 LYS 8 HG3 LYS 8 -9.416 9.356 7.414 46 HD2 LYS 8 HD2 LYS 8 -11.549 10.544 6.989 47 HD3 LYS 8 HD3 LYS 8 -12.446 9.046 7.253 48 HE2 LYS 8 HE2 LYS 8 -12.652 10.331 9.246 49 HE3 LYS 8 HE3 LYS 8 -11.607 8.955 9.601 50 HZ1 LYS 8 HZ1 LYS 8 -9.688 10.452 9.406 51 HZ2 LYS 8 HZ2 LYS 8 -10.657 11.718 9.037 52 HZ3 LYS 8 HZ3 LYS 8 -10.728 11.035 10.515 53 H THR 9 H THR 9 -7.307 6.797 3.699 54 HA THR 9 HA THR 9 -9.048 5.611 1.589 55 HB THR 9 HB THR 9 -6.166 6.554 1.301 56 HG1 THR 9 HG1 THR 9 -7.621 8.284 1.545 57 HG21 THR 9 HG21 THR 9 -6.780 4.757 -0.267 58 HG22 THR 9 HG22 THR 9 -8.258 5.632 -0.726 59 HG23 THR 9 HG23 THR 9 -6.661 6.306 -1.114 60 H ILE 10 H ILE 10 -9.242 3.553 2.003 61 HA ILE 10 HA ILE 10 -7.286 1.923 3.408 62 HB ILE 10 HB ILE 10 -9.738 1.679 3.604 63 HG12 ILE 10 HG12 ILE 10 -8.374 -0.831 2.544 64 HG13 ILE 10 HG13 ILE 10 -8.326 -0.216 4.202 65 HG21 ILE 10 HG21 ILE 10 -9.658 0.556 0.787 66 HG22 ILE 10 HG22 ILE 10 -11.093 0.798 1.817 67 HG23 ILE 10 HG23 ILE 10 -10.211 2.195 1.195 68 HD11 ILE 10 HD11 ILE 10 -10.875 -0.433 4.238 69 HD12 ILE 10 HD12 ILE 10 -10.719 -1.351 2.722 70 HD13 ILE 10 HD13 ILE 10 -9.952 -1.941 4.206 71 H GLY 11 H GLY 11 -6.035 0.246 2.559 72 HA2 GLY 11 HA2 GLY 11 -5.780 -0.076 -0.383 73 HA3 GLY 11 HA3 GLY 11 -4.384 0.448 0.546 74 H ILE 12 H ILE 12 -3.641 -1.482 -0.564 75 HA ILE 12 HA ILE 12 -4.030 -3.971 0.986 76 HB ILE 12 HB ILE 12 -3.729 -3.422 -1.803 77 HG12 ILE 12 HG12 ILE 12 -5.204 -5.054 -0.912 78 HG13 ILE 12 HG13 ILE 12 -4.126 -5.755 -2.111 79 HG21 ILE 12 HG21 ILE 12 -1.289 -4.902 -0.805 80 HG22 ILE 12 HG22 ILE 12 -1.897 -4.905 -2.458 81 HG23 ILE 12 HG23 ILE 12 -1.395 -3.369 -1.720 82 HD11 ILE 12 HD11 ILE 12 -3.822 -6.135 0.902 83 HD12 ILE 12 HD12 ILE 12 -4.434 -7.320 -0.257 84 HD13 ILE 12 HD13 ILE 12 -2.742 -6.799 -0.343 85 H TYR 13 H TYR 13 -2.312 -4.891 2.061 86 HA TYR 13 HA TYR 13 0.006 -3.099 2.613 87 HB2 TYR 13 HB2 TYR 13 -1.146 -3.841 4.583 88 HB3 TYR 13 HB3 TYR 13 -1.101 -5.512 4.050 89 HD1 TYR 13 HD1 TYR 13 1.196 -2.648 4.911 90 HD2 TYR 13 HD2 TYR 13 0.648 -6.924 4.714 91 HE1 TYR 13 HE1 TYR 13 3.367 -2.984 6.104 92 HE2 TYR 13 HE2 TYR 13 2.801 -7.254 5.922 93 HH TYR 13 HH TYR 13 4.647 -4.530 7.241 94 H TRP 14 H TRP 14 1.937 -3.459 1.859 95 HA TRP 14 HA TRP 14 2.713 -6.140 0.756 96 HB2 TRP 14 HB2 TRP 14 3.409 -3.326 -0.095 97 HB3 TRP 14 HB3 TRP 14 4.371 -4.709 -0.572 98 HD1 TRP 14 HD1 TRP 14 1.165 -2.947 -1.382 99 HE1 TRP 14 HE1 TRP 14 0.091 -4.022 -3.479 100 HE3 TRP 14 HE3 TRP 14 4.194 -7.054 -1.852 101 HZ2 TRP 14 HZ2 TRP 14 0.465 -6.367 -5.081 102 HZ3 TRP 14 HZ3 TRP 14 3.812 -8.694 -3.679 103 HH2 TRP 14 HH2 TRP 14 1.951 -8.371 -5.290 104 H PHE 15 H PHE 15 4.364 -7.156 1.708 105 HA PHE 15 HA PHE 15 5.742 -5.862 4.000 106 HB2 PHE 15 HB2 PHE 15 4.547 -7.879 4.503 107 HB3 PHE 15 HB3 PHE 15 5.279 -8.732 3.156 108 HD1 PHE 15 HD1 PHE 15 7.065 -10.180 3.593 109 HD2 PHE 15 HD2 PHE 15 6.334 -6.894 6.291 110 HE1 PHE 15 HE1 PHE 15 8.882 -10.988 5.078 111 HE2 PHE 15 HE2 PHE 15 8.151 -7.704 7.768 112 HZ PHE 15 HZ PHE 15 9.429 -9.753 7.168 113 H GLY 16 H GLY 16 7.925 -5.671 4.190 114 HA2 GLY 16 HA2 GLY 16 10.161 -5.744 3.801 115 HA3 GLY 16 HA3 GLY 16 9.868 -7.179 2.826 116 H THR 17 H THR 17 8.238 -5.528 0.874 117 HA THR 17 HA THR 17 10.327 -4.970 -0.976 118 HB THR 17 HB THR 17 8.114 -5.856 -1.565 119 HG1 THR 17 HG1 THR 17 7.865 -4.599 -3.417 120 HG21 THR 17 HG21 THR 17 6.199 -4.346 -1.867 121 HG22 THR 17 HG22 THR 17 6.626 -4.565 -0.159 122 HG23 THR 17 HG23 THR 17 7.057 -3.065 -0.999 123 H LYS 18 H LYS 18 8.613 -2.818 1.156 124 HA LYS 18 HA LYS 18 8.742 -0.626 1.711 125 HB2 LYS 18 HB2 LYS 18 11.509 -0.834 0.488 126 HB3 LYS 18 HB3 LYS 18 10.959 0.467 1.539 127 HG2 LYS 18 HG2 LYS 18 10.637 -1.001 3.403 128 HG3 LYS 18 HG3 LYS 18 10.887 -2.444 2.426 129 HD2 LYS 18 HD2 LYS 18 13.050 -0.356 2.899 130 HD3 LYS 18 HD3 LYS 18 12.832 -1.816 3.880 131 HE2 LYS 18 HE2 LYS 18 13.083 -3.228 1.841 132 HE3 LYS 18 HE3 LYS 18 13.370 -1.777 0.874 133 HZ1 LYS 18 HZ1 LYS 18 15.081 -2.688 3.127 134 HZ2 LYS 18 HZ2 LYS 18 15.456 -2.815 1.545 135 HZ3 LYS 18 HZ3 LYS 18 15.347 -1.341 2.238 136 H THR 19 H THR 19 8.832 -1.255 -1.598 137 HA THR 19 HA THR 19 7.620 1.427 -2.115 138 HB THR 19 HB THR 19 9.917 1.186 -3.148 139 HG1 THR 19 HG1 THR 19 8.721 2.716 -4.015 140 HG21 THR 19 HG21 THR 19 10.134 -0.055 -5.226 141 HG22 THR 19 HG22 THR 19 9.707 -1.188 -3.930 142 HG23 THR 19 HG23 THR 19 8.471 -0.668 -5.098 143 H CYS 20 H CYS 20 6.068 1.424 -3.954 144 HA CYS 20 HA CYS 20 4.431 -1.038 -3.867 145 HB2 CYS 20 HB2 CYS 20 3.800 1.729 -4.921 146 HB3 CYS 20 HB3 CYS 20 2.692 0.357 -4.986 147 HA PRO 21 HA PRO 21 5.773 -2.126 -8.012 148 HB2 PRO 21 HB2 PRO 21 3.963 -4.097 -8.603 149 HB3 PRO 21 HB3 PRO 21 5.285 -4.318 -7.416 150 HG2 PRO 21 HG2 PRO 21 2.392 -3.630 -6.879 151 HG3 PRO 21 HG3 PRO 21 3.408 -4.832 -6.024 152 HD2 PRO 21 HD2 PRO 21 2.990 -2.350 -5.012 153 HD3 PRO 21 HD3 PRO 21 4.536 -3.217 -4.808 154 H SER 22 H SER 22 5.532 -0.437 -9.222 155 HA SER 22 HA SER 22 3.406 1.211 -9.598 156 HB2 SER 22 HB2 SER 22 5.538 0.617 -11.690 157 HB3 SER 22 HB3 SER 22 4.647 2.126 -11.451 158 HG SER 22 HG SER 22 6.737 2.215 -10.511 159 H ASN 23 H ASN 23 4.039 -1.700 -11.502 160 HA ASN 23 HA ASN 23 2.200 -1.038 -13.641 161 HB2 ASN 23 HB2 ASN 23 3.455 -3.722 -12.926 162 HB3 ASN 23 HB3 ASN 23 2.765 -3.259 -14.482 163 HD21 ASN 23 HD21 ASN 23 3.851 -1.152 -15.463 164 HD22 ASN 23 HD22 ASN 23 5.601 -1.139 -15.326 165 H ARG 24 H ARG 24 1.549 -2.069 -10.484 166 HA ARG 24 HA ARG 24 -0.759 -3.768 -11.104 167 HB2 ARG 24 HB2 ARG 24 0.890 -4.014 -9.208 168 HB3 ARG 24 HB3 ARG 24 0.066 -2.682 -8.401 169 HG2 ARG 24 HG2 ARG 24 -1.887 -3.944 -8.032 170 HG3 ARG 24 HG3 ARG 24 -1.606 -4.985 -9.443 171 HD2 ARG 24 HD2 ARG 24 0.314 -6.017 -8.321 172 HD3 ARG 24 HD3 ARG 24 -0.019 -5.062 -6.861 173 HE ARG 24 HE ARG 24 -2.389 -6.239 -7.065 174 HH11 ARG 24 HH11 ARG 24 0.638 -7.917 -7.719 175 HH12 ARG 24 HH12 ARG 24 -0.075 -9.458 -7.325 176 HH21 ARG 24 HH21 ARG 24 -3.174 -8.083 -6.641 177 HH22 ARG 24 HH22 ARG 24 -2.227 -9.575 -6.692 178 H GLY 25 H GLY 25 -0.347 -0.435 -11.016 179 HA2 GLY 25 HA2 GLY 25 -1.935 1.127 -11.685 180 HA3 GLY 25 HA3 GLY 25 -3.227 -0.040 -11.408 181 H TYR 26 H TYR 26 -0.957 0.680 -8.801 182 HA TYR 26 HA TYR 26 -3.035 1.698 -7.073 183 HB2 TYR 26 HB2 TYR 26 -0.007 1.710 -6.789 184 HB3 TYR 26 HB3 TYR 26 -1.133 2.160 -5.515 185 HD1 TYR 26 HD1 TYR 26 0.911 -0.462 -6.532 186 HD2 TYR 26 HD2 TYR 26 -3.147 0.281 -5.231 187 HE1 TYR 26 HE1 TYR 26 0.690 -2.821 -5.781 188 HE2 TYR 26 HE2 TYR 26 -3.354 -2.085 -4.523 189 HH TYR 26 HH TYR 26 -2.355 -4.150 -4.510 190 H THR 27 H THR 27 -3.505 3.764 -6.403 191 HA THR 27 HA THR 27 -2.578 5.986 -8.158 192 HB THR 27 HB THR 27 -4.508 7.213 -7.291 193 HG1 THR 27 HG1 THR 27 -5.975 6.171 -5.968 194 HG21 THR 27 HG21 THR 27 -4.794 5.754 -9.293 195 HG22 THR 27 HG22 THR 27 -5.333 4.430 -8.235 196 HG23 THR 27 HG23 THR 27 -6.283 5.927 -8.348 197 H GLY 28 H GLY 28 -2.072 4.786 -4.967 198 HA2 GLY 28 HA2 GLY 28 -0.084 6.788 -4.443 199 HA3 GLY 28 HA3 GLY 28 -1.510 7.082 -3.454 200 H SER 29 H SER 29 0.576 6.692 -2.012 201 HA SER 29 HA SER 29 0.352 4.038 -0.785 202 HB2 SER 29 HB2 SER 29 2.682 3.470 -1.023 203 HB3 SER 29 HB3 SER 29 1.954 3.694 -2.625 204 HG SER 29 HG SER 29 2.946 5.713 -2.771 205 H CYS 30 H CYS 30 1.650 3.791 1.171 206 HA CYS 30 HA CYS 30 3.069 6.082 2.228 207 HB2 CYS 30 HB2 CYS 30 1.753 6.427 4.226 208 HB3 CYS 30 HB3 CYS 30 0.700 6.625 2.824 209 H GLY 31 H GLY 31 4.584 5.526 3.824 210 HA2 GLY 31 HA2 GLY 31 5.394 2.794 3.991 211 HA3 GLY 31 HA3 GLY 31 5.982 4.103 5.019 212 H TYR 32 H TYR 32 5.030 1.182 5.515 213 HA TYR 32 HA TYR 32 3.088 1.730 7.718 214 HB2 TYR 32 HB2 TYR 32 2.377 0.649 5.322 215 HB3 TYR 32 HB3 TYR 32 2.866 -0.806 6.154 216 HD1 TYR 32 HD1 TYR 32 1.141 -1.913 7.406 217 HD2 TYR 32 HD2 TYR 32 0.841 2.326 6.633 218 HE1 TYR 32 HE1 TYR 32 -1.174 -1.897 8.337 219 HE2 TYR 32 HE2 TYR 32 -1.441 2.345 7.613 220 HH TYR 32 HH TYR 32 -3.076 1.121 8.662 221 H PHE 33 H PHE 33 2.924 -0.421 9.141 222 HA PHE 33 HA PHE 33 5.463 -0.696 10.377 223 HB2 PHE 33 HB2 PHE 33 3.253 -1.068 11.465 224 HB3 PHE 33 HB3 PHE 33 3.105 -2.577 10.552 225 HD1 PHE 33 HD1 PHE 33 5.664 -0.877 12.767 226 HD2 PHE 33 HD2 PHE 33 3.580 -4.522 11.769 227 HE1 PHE 33 HE1 PHE 33 6.874 -2.069 14.578 228 HE2 PHE 33 HE2 PHE 33 4.778 -5.703 13.595 229 HZ PHE 33 HZ PHE 33 6.433 -4.481 14.995 230 H LEU 34 H LEU 34 7.194 -1.839 9.860 231 HA LEU 34 HA LEU 34 8.650 -3.158 8.824 232 HB2 LEU 34 HB2 LEU 34 6.537 -5.313 8.954 233 HB3 LEU 34 HB3 LEU 34 8.279 -5.546 8.858 234 HG LEU 34 HG LEU 34 6.825 -4.282 11.220 235 HD11 LEU 34 HD11 LEU 34 6.297 -6.632 10.889 236 HD12 LEU 34 HD12 LEU 34 8.029 -7.037 10.821 237 HD13 LEU 34 HD13 LEU 34 7.311 -6.408 12.330 238 HD21 LEU 34 HD21 LEU 34 9.132 -3.457 11.073 239 HD22 LEU 34 HD22 LEU 34 8.963 -4.595 12.411 240 HD23 LEU 34 HD23 LEU 34 9.736 -5.122 10.897 241 H GLY 35 H GLY 35 6.350 -1.984 7.054 242 HA2 GLY 35 HA2 GLY 35 7.399 -2.857 4.445 243 HA3 GLY 35 HA3 GLY 35 5.799 -3.487 4.832 244 H ILE 36 H ILE 36 4.606 -2.422 3.341 245 HA ILE 36 HA ILE 36 4.264 0.501 3.570 246 HB ILE 36 HB ILE 36 5.997 0.508 2.028 247 HG12 ILE 36 HG12 ILE 36 3.537 0.508 0.248 248 HG13 ILE 36 HG13 ILE 36 3.881 1.764 1.414 249 HG21 ILE 36 HG21 ILE 36 6.165 -0.867 -0.010 250 HG22 ILE 36 HG22 ILE 36 6.092 -1.910 1.402 251 HG23 ILE 36 HG23 ILE 36 4.649 -1.670 0.395 252 HD11 ILE 36 HD11 ILE 36 5.505 1.040 -1.019 253 HD12 ILE 36 HD12 ILE 36 4.662 2.561 -0.682 254 HD13 ILE 36 HD13 ILE 36 6.106 2.145 0.253 255 H CYS 37 H CYS 37 2.373 1.285 2.856 256 HA CYS 37 HA CYS 37 0.160 -0.613 2.242 257 HB2 CYS 37 HB2 CYS 37 -0.070 0.768 4.237 258 HB3 CYS 37 HB3 CYS 37 0.386 2.201 3.342 259 H CYS 38 H CYS 38 -0.634 -0.591 0.206 260 HA CYS 38 HA CYS 38 -0.052 1.690 -1.653 261 HB2 CYS 38 HB2 CYS 38 -0.206 -1.254 -2.310 262 HB3 CYS 38 HB3 CYS 38 0.150 0.035 -3.441 263 H TYR 39 H TYR 39 -1.882 2.485 -2.671 264 HA TYR 39 HA TYR 39 -4.436 1.013 -2.278 265 HB2 TYR 39 HB2 TYR 39 -5.507 3.159 -1.568 266 HB3 TYR 39 HB3 TYR 39 -4.456 2.377 -0.425 267 HD1 TYR 39 HD1 TYR 39 -2.617 3.475 0.562 268 HD2 TYR 39 HD2 TYR 39 -4.707 5.265 -2.763 269 HE1 TYR 39 HE1 TYR 39 -1.517 5.653 1.048 270 HE2 TYR 39 HE2 TYR 39 -3.630 7.454 -2.252 271 HH TYR 39 HH TYR 39 -1.286 7.857 0.426 272 HA PRO 40 HA PRO 40 -6.865 1.809 -2.626 273 HB2 PRO 40 HB2 PRO 40 -8.655 0.705 -4.343 274 HB3 PRO 40 HB3 PRO 40 -8.428 2.472 -4.180 275 HG2 PRO 40 HG2 PRO 40 -7.166 0.621 -6.240 276 HG3 PRO 40 HG3 PRO 40 -8.072 2.143 -6.537 277 HD2 PRO 40 HD2 PRO 40 -5.364 2.127 -6.420 278 HD3 PRO 40 HD3 PRO 40 -6.304 3.467 -5.703 279 H VAL 41 H VAL 41 -7.826 -0.216 -1.930 280 HA VAL 41 HA VAL 41 -6.078 -2.423 -1.770 281 HB VAL 41 HB VAL 41 -7.790 -1.726 -0.113 282 HG11 VAL 41 HG11 VAL 41 -10.102 -2.384 -0.278 283 HG12 VAL 41 HG12 VAL 41 -9.713 -1.327 -1.641 284 HG13 VAL 41 HG13 VAL 41 -9.848 -3.081 -1.889 285 HG21 VAL 41 HG21 VAL 41 -8.481 -3.961 0.605 286 HG22 VAL 41 HG22 VAL 41 -7.995 -4.634 -0.962 287 HG23 VAL 41 HG23 VAL 41 -6.787 -3.903 0.131 288 H ASP 42 H ASP 42 -6.036 -4.431 -2.704 289 HA ASP 42 HA ASP 42 -7.480 -4.787 -5.297 290 HB2 ASP 42 HB2 ASP 42 -5.248 -3.894 -5.652 291 HB3 ASP 42 HB3 ASP 42 -4.540 -5.155 -4.648 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -5.747 -11.321 0.689 2 H2 GLY 1 H2 GLY 1 -4.726 -12.306 1.504 3 H3 GLY 1 H3 GLY 1 -4.449 -11.968 -0.075 4 HA2 GLY 1 HA2 GLY 1 -2.925 -10.721 1.300 5 HA3 GLY 1 HA3 GLY 1 -4.033 -9.652 0.422 6 H THR 2 H THR 2 -3.096 -8.311 2.317 7 HA THR 2 HA THR 2 -4.962 -8.392 4.663 8 HB THR 2 HB THR 2 -1.981 -7.783 4.738 9 HG1 THR 2 HG1 THR 2 -1.859 -9.713 5.881 10 HG21 THR 2 HG21 THR 2 -3.166 -6.535 6.488 11 HG22 THR 2 HG22 THR 2 -4.052 -8.001 6.973 12 HG23 THR 2 HG23 THR 2 -2.293 -7.884 7.213 13 H THR 3 H THR 3 -5.828 -6.406 5.246 14 HA THR 3 HA THR 3 -5.545 -4.230 3.390 15 HB THR 3 HB THR 3 -7.055 -3.168 5.412 16 HG1 THR 3 HG1 THR 3 -7.093 -4.903 6.757 17 HG21 THR 3 HG21 THR 3 -7.713 -3.290 3.142 18 HG22 THR 3 HG22 THR 3 -7.848 -5.068 3.189 19 HG23 THR 3 HG23 THR 3 -8.988 -4.060 4.114 20 H CYS 4 H CYS 4 -5.166 -2.104 3.798 21 HA CYS 4 HA CYS 4 -3.707 -1.350 6.247 22 HB2 CYS 4 HB2 CYS 4 -1.922 -0.314 5.099 23 HB3 CYS 4 HB3 CYS 4 -2.084 -1.922 4.423 24 H TYR 5 H TYR 5 -3.595 1.091 6.545 25 HA TYR 5 HA TYR 5 -5.749 2.569 5.089 26 HB2 TYR 5 HB2 TYR 5 -5.429 2.420 8.109 27 HB3 TYR 5 HB3 TYR 5 -6.514 3.499 7.254 28 HD1 TYR 5 HD1 TYR 5 -5.871 -0.039 8.177 29 HD2 TYR 5 HD2 TYR 5 -8.638 2.739 6.370 30 HE1 TYR 5 HE1 TYR 5 -7.673 -1.763 8.276 31 HE2 TYR 5 HE2 TYR 5 -10.442 1.032 6.510 32 HH TYR 5 HH TYR 5 -11.009 -1.099 7.148 33 H CYS 6 H CYS 6 -5.168 4.564 4.459 34 HA CYS 6 HA CYS 6 -3.232 6.108 6.136 35 HB2 CYS 6 HB2 CYS 6 -3.033 5.539 3.172 36 HB3 CYS 6 HB3 CYS 6 -2.287 6.969 3.874 37 H GLY 7 H GLY 7 -4.166 8.009 6.730 38 HA2 GLY 7 HA2 GLY 7 -5.619 9.806 6.759 39 HA3 GLY 7 HA3 GLY 7 -5.437 9.863 5.001 40 H LYS 8 H LYS 8 -6.814 7.184 6.829 41 HA LYS 8 HA LYS 8 -8.643 5.937 6.613 42 HB2 LYS 8 HB2 LYS 8 -9.587 8.221 7.542 43 HB3 LYS 8 HB3 LYS 8 -10.449 8.247 6.000 44 HG2 LYS 8 HG2 LYS 8 -11.377 5.954 6.561 45 HG3 LYS 8 HG3 LYS 8 -10.473 5.998 8.074 46 HD2 LYS 8 HD2 LYS 8 -12.743 6.549 8.559 47 HD3 LYS 8 HD3 LYS 8 -11.782 8.021 8.767 48 HE2 LYS 8 HE2 LYS 8 -12.506 8.816 6.529 49 HE3 LYS 8 HE3 LYS 8 -13.400 7.311 6.273 50 HZ1 LYS 8 HZ1 LYS 8 -14.864 9.089 7.040 51 HZ2 LYS 8 HZ2 LYS 8 -14.817 7.910 8.165 52 HZ3 LYS 8 HZ3 LYS 8 -13.993 9.300 8.402 53 H THR 9 H THR 9 -7.162 6.827 4.055 54 HA THR 9 HA THR 9 -9.031 5.714 2.032 55 HB THR 9 HB THR 9 -6.178 6.726 1.678 56 HG1 THR 9 HG1 THR 9 -8.674 7.887 0.951 57 HG21 THR 9 HG21 THR 9 -6.748 6.680 -0.728 58 HG22 THR 9 HG22 THR 9 -6.773 5.064 -0.018 59 HG23 THR 9 HG23 THR 9 -8.304 5.905 -0.348 60 H ILE 10 H ILE 10 -9.211 3.638 2.325 61 HA ILE 10 HA ILE 10 -7.210 1.963 3.550 62 HB ILE 10 HB ILE 10 -9.619 1.711 3.907 63 HG12 ILE 10 HG12 ILE 10 -8.376 -0.767 2.638 64 HG13 ILE 10 HG13 ILE 10 -8.218 -0.231 4.317 65 HG21 ILE 10 HG21 ILE 10 -9.784 0.750 1.032 66 HG22 ILE 10 HG22 ILE 10 -11.127 0.918 2.191 67 HG23 ILE 10 HG23 ILE 10 -10.301 2.355 1.594 68 HD11 ILE 10 HD11 ILE 10 -10.710 -1.276 2.939 69 HD12 ILE 10 HD12 ILE 10 -9.852 -1.944 4.336 70 HD13 ILE 10 HD13 ILE 10 -10.759 -0.435 4.506 71 H GLY 11 H GLY 11 -5.974 0.329 2.639 72 HA2 GLY 11 HA2 GLY 11 -5.929 -0.057 -0.310 73 HA3 GLY 11 HA3 GLY 11 -4.471 0.464 0.525 74 H ILE 12 H ILE 12 -3.760 -1.474 -0.537 75 HA ILE 12 HA ILE 12 -4.105 -3.981 1.000 76 HB ILE 12 HB ILE 12 -3.768 -3.359 -1.797 77 HG12 ILE 12 HG12 ILE 12 -5.281 -5.006 -0.986 78 HG13 ILE 12 HG13 ILE 12 -4.175 -5.668 -2.183 79 HG21 ILE 12 HG21 ILE 12 -1.374 -4.905 -0.787 80 HG22 ILE 12 HG22 ILE 12 -1.951 -4.870 -2.452 81 HG23 ILE 12 HG23 ILE 12 -1.434 -3.359 -1.680 82 HD11 ILE 12 HD11 ILE 12 -4.498 -7.336 -0.505 83 HD12 ILE 12 HD12 ILE 12 -2.842 -6.730 -0.324 84 HD13 ILE 12 HD13 ILE 12 -4.127 -6.204 0.792 85 H TYR 13 H TYR 13 -2.403 -4.877 2.054 86 HA TYR 13 HA TYR 13 -0.074 -3.103 2.620 87 HB2 TYR 13 HB2 TYR 13 -1.275 -3.928 4.558 88 HB3 TYR 13 HB3 TYR 13 -1.116 -5.583 4.001 89 HD1 TYR 13 HD1 TYR 13 1.052 -2.610 4.843 90 HD2 TYR 13 HD2 TYR 13 0.620 -6.906 4.820 91 HE1 TYR 13 HE1 TYR 13 3.189 -2.835 6.111 92 HE2 TYR 13 HE2 TYR 13 2.747 -7.122 6.100 93 HH TYR 13 HH TYR 13 4.464 -4.277 7.351 94 H TRP 14 H TRP 14 1.877 -3.442 1.875 95 HA TRP 14 HA TRP 14 2.681 -6.114 0.792 96 HB2 TRP 14 HB2 TRP 14 3.376 -3.298 -0.063 97 HB3 TRP 14 HB3 TRP 14 4.331 -4.707 -0.518 98 HD1 TRP 14 HD1 TRP 14 1.164 -2.882 -1.377 99 HE1 TRP 14 HE1 TRP 14 0.060 -3.973 -3.450 100 HE3 TRP 14 HE3 TRP 14 4.079 -7.080 -1.753 101 HZ2 TRP 14 HZ2 TRP 14 0.348 -6.379 -4.977 102 HZ3 TRP 14 HZ3 TRP 14 3.633 -8.765 -3.525 103 HH2 TRP 14 HH2 TRP 14 1.769 -8.436 -5.130 104 H PHE 15 H PHE 15 4.383 -7.082 1.679 105 HA PHE 15 HA PHE 15 5.875 -5.720 3.873 106 HB2 PHE 15 HB2 PHE 15 4.559 -7.635 4.552 107 HB3 PHE 15 HB3 PHE 15 5.281 -8.636 3.301 108 HD1 PHE 15 HD1 PHE 15 7.032 -10.070 3.922 109 HD2 PHE 15 HD2 PHE 15 6.338 -6.495 6.233 110 HE1 PHE 15 HE1 PHE 15 8.815 -10.749 5.513 111 HE2 PHE 15 HE2 PHE 15 8.130 -7.172 7.813 112 HZ PHE 15 HZ PHE 15 9.368 -9.300 7.459 113 H GLY 16 H GLY 16 8.094 -5.792 3.999 114 HA2 GLY 16 HA2 GLY 16 10.292 -6.091 3.478 115 HA3 GLY 16 HA3 GLY 16 9.804 -7.424 2.438 116 H THR 17 H THR 17 8.228 -5.594 0.657 117 HA THR 17 HA THR 17 10.249 -5.001 -1.256 118 HB THR 17 HB THR 17 8.016 -5.668 -1.882 119 HG1 THR 17 HG1 THR 17 7.732 -3.277 -3.005 120 HG21 THR 17 HG21 THR 17 6.626 -4.587 -0.187 121 HG22 THR 17 HG22 THR 17 7.029 -2.987 -0.835 122 HG23 THR 17 HG23 THR 17 6.102 -4.133 -1.816 123 H LYS 18 H LYS 18 8.750 -2.906 1.107 124 HA LYS 18 HA LYS 18 8.888 -0.733 1.704 125 HB2 LYS 18 HB2 LYS 18 11.634 -0.801 0.422 126 HB3 LYS 18 HB3 LYS 18 11.044 0.401 1.570 127 HG2 LYS 18 HG2 LYS 18 10.710 -1.384 3.274 128 HG3 LYS 18 HG3 LYS 18 11.395 -2.571 2.158 129 HD2 LYS 18 HD2 LYS 18 12.863 -0.122 3.226 130 HD3 LYS 18 HD3 LYS 18 13.017 -1.770 3.855 131 HE2 LYS 18 HE2 LYS 18 13.822 -2.546 1.629 132 HE3 LYS 18 HE3 LYS 18 13.719 -0.888 1.019 133 HZ1 LYS 18 HZ1 LYS 18 15.371 -0.239 2.690 134 HZ2 LYS 18 HZ2 LYS 18 15.472 -1.774 3.247 135 HZ3 LYS 18 HZ3 LYS 18 15.974 -1.419 1.738 136 H THR 19 H THR 19 9.048 -1.274 -1.665 137 HA THR 19 HA THR 19 7.814 1.409 -2.134 138 HB THR 19 HB THR 19 10.131 1.100 -3.154 139 HG1 THR 19 HG1 THR 19 8.987 2.699 -3.979 140 HG21 THR 19 HG21 THR 19 10.288 -0.099 -5.265 141 HG22 THR 19 HG22 THR 19 9.817 -1.243 -3.995 142 HG23 THR 19 HG23 THR 19 8.601 -0.641 -5.145 143 H CYS 20 H CYS 20 6.309 1.447 -4.004 144 HA CYS 20 HA CYS 20 4.554 -0.919 -3.856 145 HB2 CYS 20 HB2 CYS 20 3.855 1.654 -3.636 146 HB3 CYS 20 HB3 CYS 20 3.802 1.555 -5.383 147 HA PRO 21 HA PRO 21 5.782 -2.186 -7.993 148 HB2 PRO 21 HB2 PRO 21 3.928 -4.120 -8.500 149 HB3 PRO 21 HB3 PRO 21 5.270 -4.319 -7.334 150 HG2 PRO 21 HG2 PRO 21 2.398 -3.568 -6.762 151 HG3 PRO 21 HG3 PRO 21 3.407 -4.770 -5.903 152 HD2 PRO 21 HD2 PRO 21 3.057 -2.259 -4.944 153 HD3 PRO 21 HD3 PRO 21 4.584 -3.147 -4.737 154 H SER 22 H SER 22 5.464 -0.392 -9.190 155 HA SER 22 HA SER 22 3.148 1.103 -9.531 156 HB2 SER 22 HB2 SER 22 5.493 1.798 -10.019 157 HB3 SER 22 HB3 SER 22 5.443 0.845 -11.514 158 HG SER 22 HG SER 22 4.943 3.082 -11.836 159 H ASN 23 H ASN 23 4.189 -1.636 -11.514 160 HA ASN 23 HA ASN 23 2.333 -1.313 -13.669 161 HB2 ASN 23 HB2 ASN 23 3.777 -3.784 -12.610 162 HB3 ASN 23 HB3 ASN 23 2.923 -3.701 -14.147 163 HD21 ASN 23 HD21 ASN 23 5.978 -3.303 -12.729 164 HD22 ASN 23 HD22 ASN 23 6.699 -2.393 -14.047 165 H ARG 24 H ARG 24 1.629 -2.199 -10.429 166 HA ARG 24 HA ARG 24 -0.676 -3.902 -11.065 167 HB2 ARG 24 HB2 ARG 24 0.915 -4.110 -9.107 168 HB3 ARG 24 HB3 ARG 24 0.069 -2.754 -8.366 169 HG2 ARG 24 HG2 ARG 24 -1.897 -3.997 -8.028 170 HG3 ARG 24 HG3 ARG 24 -1.583 -5.069 -9.409 171 HD2 ARG 24 HD2 ARG 24 0.293 -6.096 -8.208 172 HD3 ARG 24 HD3 ARG 24 -0.076 -5.107 -6.779 173 HE ARG 24 HE ARG 24 -2.450 -6.268 -7.035 174 HH11 ARG 24 HH11 ARG 24 0.581 -7.988 -7.564 175 HH12 ARG 24 HH12 ARG 24 -0.159 -9.513 -7.160 176 HH21 ARG 24 HH21 ARG 24 -3.264 -8.098 -6.597 177 HH22 ARG 24 HH22 ARG 24 -2.328 -9.597 -6.585 178 H GLY 25 H GLY 25 -0.205 -0.578 -11.080 179 HA2 GLY 25 HA2 GLY 25 -1.735 0.985 -11.851 180 HA3 GLY 25 HA3 GLY 25 -3.051 -0.165 -11.618 181 H TYR 26 H TYR 26 -0.907 0.631 -8.928 182 HA TYR 26 HA TYR 26 -3.074 1.623 -7.308 183 HB2 TYR 26 HB2 TYR 26 -0.060 1.698 -6.908 184 HB3 TYR 26 HB3 TYR 26 -1.236 2.149 -5.678 185 HD1 TYR 26 HD1 TYR 26 0.928 -0.399 -6.437 186 HD2 TYR 26 HD2 TYR 26 -3.252 0.237 -5.498 187 HE1 TYR 26 HE1 TYR 26 0.699 -2.761 -5.675 188 HE2 TYR 26 HE2 TYR 26 -3.444 -2.109 -4.724 189 HH TYR 26 HH TYR 26 -2.387 -4.135 -4.548 190 H THR 27 H THR 27 -3.536 3.673 -6.556 191 HA THR 27 HA THR 27 -2.667 5.905 -8.329 192 HB THR 27 HB THR 27 -5.096 5.342 -7.955 193 HG1 THR 27 HG1 THR 27 -5.640 7.504 -7.981 194 HG21 THR 27 HG21 THR 27 -4.722 6.843 -5.327 195 HG22 THR 27 HG22 THR 27 -6.239 6.241 -6.026 196 HG23 THR 27 HG23 THR 27 -5.017 5.098 -5.456 197 H GLY 28 H GLY 28 -2.045 4.693 -5.170 198 HA2 GLY 28 HA2 GLY 28 0.082 6.552 -4.788 199 HA3 GLY 28 HA3 GLY 28 -1.251 6.978 -3.719 200 H SER 29 H SER 29 1.109 6.334 -2.621 201 HA SER 29 HA SER 29 0.455 3.974 -1.035 202 HB2 SER 29 HB2 SER 29 2.645 2.897 -1.325 203 HB3 SER 29 HB3 SER 29 1.705 2.926 -2.813 204 HG SER 29 HG SER 29 3.857 4.697 -2.157 205 H CYS 30 H CYS 30 1.728 3.735 0.870 206 HA CYS 30 HA CYS 30 3.194 6.095 1.907 207 HB2 CYS 30 HB2 CYS 30 1.515 6.081 3.856 208 HB3 CYS 30 HB3 CYS 30 0.949 6.788 2.340 209 H GLY 31 H GLY 31 4.584 5.591 3.605 210 HA2 GLY 31 HA2 GLY 31 5.326 2.864 3.998 211 HA3 GLY 31 HA3 GLY 31 5.865 4.219 4.990 212 H TYR 32 H TYR 32 4.791 1.340 5.530 213 HA TYR 32 HA TYR 32 2.723 2.032 7.580 214 HB2 TYR 32 HB2 TYR 32 2.055 0.884 5.318 215 HB3 TYR 32 HB3 TYR 32 2.752 -0.558 6.025 216 HD1 TYR 32 HD1 TYR 32 1.302 -1.913 7.414 217 HD2 TYR 32 HD2 TYR 32 0.314 2.220 6.662 218 HE1 TYR 32 HE1 TYR 32 -0.938 -2.267 8.426 219 HE2 TYR 32 HE2 TYR 32 -1.906 1.873 7.733 220 HH TYR 32 HH TYR 32 -2.953 -1.307 8.992 221 H PHE 33 H PHE 33 2.468 -0.050 9.107 222 HA PHE 33 HA PHE 33 4.930 -0.297 10.540 223 HB2 PHE 33 HB2 PHE 33 2.628 -0.552 11.491 224 HB3 PHE 33 HB3 PHE 33 2.506 -2.106 10.657 225 HD1 PHE 33 HD1 PHE 33 4.974 -0.328 12.919 226 HD2 PHE 33 HD2 PHE 33 2.841 -3.976 12.032 227 HE1 PHE 33 HE1 PHE 33 6.037 -1.429 14.873 228 HE2 PHE 33 HE2 PHE 33 3.895 -5.064 14.001 229 HZ PHE 33 HZ PHE 33 5.500 -3.796 15.418 230 H LEU 34 H LEU 34 6.627 -1.557 10.233 231 HA LEU 34 HA LEU 34 8.110 -2.967 9.370 232 HB2 LEU 34 HB2 LEU 34 5.865 -4.990 9.286 233 HB3 LEU 34 HB3 LEU 34 7.586 -5.339 9.340 234 HG LEU 34 HG LEU 34 6.027 -3.973 11.573 235 HD11 LEU 34 HD11 LEU 34 7.049 -6.818 11.286 236 HD12 LEU 34 HD12 LEU 34 6.256 -6.124 12.725 237 HD13 LEU 34 HD13 LEU 34 5.352 -6.289 11.207 238 HD21 LEU 34 HD21 LEU 34 8.396 -3.331 11.630 239 HD22 LEU 34 HD22 LEU 34 8.022 -4.449 12.945 240 HD23 LEU 34 HD23 LEU 34 8.879 -5.041 11.501 241 H GLY 35 H GLY 35 5.927 -1.794 7.305 242 HA2 GLY 35 HA2 GLY 35 7.302 -2.677 4.860 243 HA3 GLY 35 HA3 GLY 35 5.696 -3.368 5.073 244 H ILE 36 H ILE 36 4.594 -2.372 3.458 245 HA ILE 36 HA ILE 36 4.215 0.566 3.569 246 HB ILE 36 HB ILE 36 5.979 0.534 2.083 247 HG12 ILE 36 HG12 ILE 36 3.572 0.380 0.226 248 HG13 ILE 36 HG13 ILE 36 3.876 1.719 1.311 249 HG21 ILE 36 HG21 ILE 36 4.764 -1.809 0.592 250 HG22 ILE 36 HG22 ILE 36 6.234 -0.946 0.123 251 HG23 ILE 36 HG23 ILE 36 6.210 -1.870 1.619 252 HD11 ILE 36 HD11 ILE 36 6.090 2.097 0.178 253 HD12 ILE 36 HD12 ILE 36 5.601 0.867 -1.020 254 HD13 ILE 36 HD13 ILE 36 4.668 2.353 -0.845 255 H CYS 37 H CYS 37 2.335 1.321 2.854 256 HA CYS 37 HA CYS 37 0.126 -0.595 2.272 257 HB2 CYS 37 HB2 CYS 37 -0.115 0.728 4.270 258 HB3 CYS 37 HB3 CYS 37 0.317 2.200 3.434 259 H CYS 38 H CYS 38 -0.764 -0.539 0.280 260 HA CYS 38 HA CYS 38 -0.226 1.718 -1.620 261 HB2 CYS 38 HB2 CYS 38 -0.279 -1.277 -2.089 262 HB3 CYS 38 HB3 CYS 38 -0.288 -0.070 -3.363 263 H TYR 39 H TYR 39 -2.038 2.463 -2.746 264 HA TYR 39 HA TYR 39 -4.601 1.032 -2.305 265 HB2 TYR 39 HB2 TYR 39 -5.691 3.193 -1.691 266 HB3 TYR 39 HB3 TYR 39 -4.616 2.491 -0.512 267 HD1 TYR 39 HD1 TYR 39 -2.847 3.721 0.434 268 HD2 TYR 39 HD2 TYR 39 -4.856 5.181 -3.093 269 HE1 TYR 39 HE1 TYR 39 -1.675 5.912 0.667 270 HE2 TYR 39 HE2 TYR 39 -3.677 7.365 -2.861 271 HH TYR 39 HH TYR 39 -1.356 8.008 -0.209 272 HA PRO 40 HA PRO 40 -7.011 1.780 -2.753 273 HB2 PRO 40 HB2 PRO 40 -8.751 0.583 -4.459 274 HB3 PRO 40 HB3 PRO 40 -8.548 2.359 -4.373 275 HG2 PRO 40 HG2 PRO 40 -7.220 0.429 -6.319 276 HG3 PRO 40 HG3 PRO 40 -8.137 1.924 -6.705 277 HD2 PRO 40 HD2 PRO 40 -5.430 1.941 -6.526 278 HD3 PRO 40 HD3 PRO 40 -6.400 3.308 -5.903 279 H VAL 41 H VAL 41 -7.964 -0.236 -2.008 280 HA VAL 41 HA VAL 41 -6.170 -2.426 -1.779 281 HB VAL 41 HB VAL 41 -7.879 -1.728 -0.122 282 HG11 VAL 41 HG11 VAL 41 -10.183 -2.419 -0.264 283 HG12 VAL 41 HG12 VAL 41 -9.817 -1.379 -1.646 284 HG13 VAL 41 HG13 VAL 41 -9.929 -3.140 -1.863 285 HG21 VAL 41 HG21 VAL 41 -8.534 -3.969 0.625 286 HG22 VAL 41 HG22 VAL 41 -8.044 -4.648 -0.938 287 HG23 VAL 41 HG23 VAL 41 -6.842 -3.890 0.142 288 H ASP 42 H ASP 42 -6.057 -4.404 -2.739 289 HA ASP 42 HA ASP 42 -7.548 -4.814 -5.297 290 HB2 ASP 42 HB2 ASP 42 -5.333 -3.890 -5.682 291 HB3 ASP 42 HB3 ASP 42 -4.595 -5.134 -4.682 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -4.855 -11.476 -0.287 2 H2 GLY 1 H2 GLY 1 -5.919 -10.315 0.170 3 H3 GLY 1 H3 GLY 1 -5.511 -11.511 1.214 4 HA2 GLY 1 HA2 GLY 1 -3.244 -10.727 1.340 5 HA3 GLY 1 HA3 GLY 1 -3.666 -9.447 0.189 6 H THR 2 H THR 2 -2.640 -9.247 2.962 7 HA THR 2 HA THR 2 -4.704 -8.442 4.775 8 HB THR 2 HB THR 2 -1.785 -7.593 4.770 9 HG1 THR 2 HG1 THR 2 -2.971 -9.912 5.895 10 HG21 THR 2 HG21 THR 2 -3.795 -7.952 7.039 11 HG22 THR 2 HG22 THR 2 -2.048 -7.676 7.249 12 HG23 THR 2 HG23 THR 2 -3.049 -6.430 6.502 13 H THR 3 H THR 3 -5.635 -6.450 5.242 14 HA THR 3 HA THR 3 -5.463 -4.333 3.283 15 HB THR 3 HB THR 3 -6.955 -3.281 5.330 16 HG1 THR 3 HG1 THR 3 -8.193 -4.961 6.172 17 HG21 THR 3 HG21 THR 3 -8.906 -4.217 4.095 18 HG22 THR 3 HG22 THR 3 -7.673 -3.457 3.069 19 HG23 THR 3 HG23 THR 3 -7.781 -5.236 3.162 20 H CYS 4 H CYS 4 -5.179 -2.149 3.724 21 HA CYS 4 HA CYS 4 -3.723 -1.384 6.157 22 HB2 CYS 4 HB2 CYS 4 -1.952 -0.292 5.045 23 HB3 CYS 4 HB3 CYS 4 -2.054 -1.889 4.343 24 H TYR 5 H TYR 5 -3.721 1.029 6.527 25 HA TYR 5 HA TYR 5 -5.867 2.476 5.026 26 HB2 TYR 5 HB2 TYR 5 -5.643 2.255 8.050 27 HB3 TYR 5 HB3 TYR 5 -6.707 3.354 7.192 28 HD1 TYR 5 HD1 TYR 5 -6.075 -0.212 8.017 29 HD2 TYR 5 HD2 TYR 5 -8.795 2.616 6.220 30 HE1 TYR 5 HE1 TYR 5 -7.872 -1.943 8.007 31 HE2 TYR 5 HE2 TYR 5 -10.597 0.901 6.252 32 HH TYR 5 HH TYR 5 -11.177 -1.248 6.809 33 H CYS 6 H CYS 6 -5.328 4.495 4.454 34 HA CYS 6 HA CYS 6 -3.662 6.116 6.299 35 HB2 CYS 6 HB2 CYS 6 -2.707 5.112 3.680 36 HB3 CYS 6 HB3 CYS 6 -2.527 6.846 3.880 37 H GLY 7 H GLY 7 -4.366 8.184 6.469 38 HA2 GLY 7 HA2 GLY 7 -5.678 10.053 6.137 39 HA3 GLY 7 HA3 GLY 7 -5.331 9.848 4.416 40 H LYS 8 H LYS 8 -7.172 7.640 6.496 41 HA LYS 8 HA LYS 8 -9.121 6.531 6.214 42 HB2 LYS 8 HB2 LYS 8 -10.212 9.237 5.395 43 HB3 LYS 8 HB3 LYS 8 -11.177 7.823 5.834 44 HG2 LYS 8 HG2 LYS 8 -10.080 7.781 8.080 45 HG3 LYS 8 HG3 LYS 8 -9.229 9.284 7.668 46 HD2 LYS 8 HD2 LYS 8 -11.395 10.442 7.373 47 HD3 LYS 8 HD3 LYS 8 -12.259 8.935 7.757 48 HE2 LYS 8 HE2 LYS 8 -11.159 8.886 9.992 49 HE3 LYS 8 HE3 LYS 8 -10.326 10.399 9.614 50 HZ1 LYS 8 HZ1 LYS 8 -12.340 10.794 10.914 51 HZ2 LYS 8 HZ2 LYS 8 -12.510 11.476 9.442 52 HZ3 LYS 8 HZ3 LYS 8 -13.278 10.075 9.790 53 H THR 9 H THR 9 -7.301 6.733 3.876 54 HA THR 9 HA THR 9 -9.103 5.603 1.784 55 HB THR 9 HB THR 9 -6.212 6.517 1.467 56 HG1 THR 9 HG1 THR 9 -7.649 8.255 1.734 57 HG21 THR 9 HG21 THR 9 -8.322 5.610 -0.547 58 HG22 THR 9 HG22 THR 9 -6.730 6.293 -0.949 59 HG23 THR 9 HG23 THR 9 -6.834 4.739 -0.113 60 H ILE 10 H ILE 10 -9.290 3.520 2.110 61 HA ILE 10 HA ILE 10 -7.316 1.868 3.464 62 HB ILE 10 HB ILE 10 -9.733 1.547 3.702 63 HG12 ILE 10 HG12 ILE 10 -8.356 -0.866 2.446 64 HG13 ILE 10 HG13 ILE 10 -8.285 -0.356 4.138 65 HG21 ILE 10 HG21 ILE 10 -11.137 0.748 1.905 66 HG22 ILE 10 HG22 ILE 10 -10.326 2.217 1.373 67 HG23 ILE 10 HG23 ILE 10 -9.738 0.641 0.806 68 HD11 ILE 10 HD11 ILE 10 -9.863 -2.130 4.042 69 HD12 ILE 10 HD12 ILE 10 -10.818 -0.652 4.229 70 HD13 ILE 10 HD13 ILE 10 -10.693 -1.442 2.639 71 H GLY 11 H GLY 11 -6.008 0.286 2.581 72 HA2 GLY 11 HA2 GLY 11 -5.770 0.021 -0.374 73 HA3 GLY 11 HA3 GLY 11 -4.372 0.490 0.581 74 H ILE 12 H ILE 12 -3.662 -1.411 -0.570 75 HA ILE 12 HA ILE 12 -4.050 -3.945 0.917 76 HB ILE 12 HB ILE 12 -3.739 -3.290 -1.870 77 HG12 ILE 12 HG12 ILE 12 -5.274 -4.910 -1.055 78 HG13 ILE 12 HG13 ILE 12 -4.193 -5.587 -2.269 79 HG21 ILE 12 HG21 ILE 12 -1.971 -4.846 -2.546 80 HG22 ILE 12 HG22 ILE 12 -1.418 -3.329 -1.800 81 HG23 ILE 12 HG23 ILE 12 -1.357 -4.870 -0.895 82 HD11 ILE 12 HD11 ILE 12 -2.862 -6.672 -0.404 83 HD12 ILE 12 HD12 ILE 12 -4.165 -6.154 0.696 84 HD13 ILE 12 HD13 ILE 12 -4.520 -7.267 -0.621 85 H TYR 13 H TYR 13 -2.357 -4.857 1.961 86 HA TYR 13 HA TYR 13 -0.023 -3.085 2.538 87 HB2 TYR 13 HB2 TYR 13 -1.193 -3.887 4.486 88 HB3 TYR 13 HB3 TYR 13 -1.103 -5.544 3.918 89 HD1 TYR 13 HD1 TYR 13 1.184 -2.664 4.766 90 HD2 TYR 13 HD2 TYR 13 0.587 -6.941 4.687 91 HE1 TYR 13 HE1 TYR 13 3.335 -2.994 5.994 92 HE2 TYR 13 HE2 TYR 13 2.719 -7.257 5.934 93 HH TYR 13 HH TYR 13 4.571 -4.507 7.190 94 H TRP 14 H TRP 14 1.901 -3.411 1.753 95 HA TRP 14 HA TRP 14 2.678 -6.071 0.610 96 HB2 TRP 14 HB2 TRP 14 3.481 -3.251 -0.094 97 HB3 TRP 14 HB3 TRP 14 4.447 -4.639 -0.556 98 HD1 TRP 14 HD1 TRP 14 1.200 -2.885 -1.385 99 HE1 TRP 14 HE1 TRP 14 0.106 -3.956 -3.466 100 HE3 TRP 14 HE3 TRP 14 4.336 -6.892 -1.990 101 HZ2 TRP 14 HZ2 TRP 14 0.470 -6.298 -5.072 102 HZ3 TRP 14 HZ3 TRP 14 3.930 -8.536 -3.812 103 HH2 TRP 14 HH2 TRP 14 2.000 -8.256 -5.352 104 H PHE 15 H PHE 15 4.051 -7.218 1.713 105 HA PHE 15 HA PHE 15 5.566 -6.092 3.994 106 HB2 PHE 15 HB2 PHE 15 4.232 -8.087 4.374 107 HB3 PHE 15 HB3 PHE 15 4.999 -8.916 3.031 108 HD1 PHE 15 HD1 PHE 15 7.003 -10.170 3.342 109 HD2 PHE 15 HD2 PHE 15 5.704 -7.423 6.402 110 HE1 PHE 15 HE1 PHE 15 8.766 -11.028 4.866 111 HE2 PHE 15 HE2 PHE 15 7.467 -8.278 7.919 112 HZ PHE 15 HZ PHE 15 9.003 -10.083 7.157 113 H GLY 16 H GLY 16 7.792 -6.138 4.180 114 HA2 GLY 16 HA2 GLY 16 10.007 -6.410 3.654 115 HA3 GLY 16 HA3 GLY 16 9.514 -7.756 2.626 116 H THR 17 H THR 17 8.353 -4.513 1.890 117 HA THR 17 HA THR 17 10.455 -4.014 -0.102 118 HB THR 17 HB THR 17 8.557 -5.165 -1.306 119 HG1 THR 17 HG1 THR 17 8.543 -3.548 -2.912 120 HG21 THR 17 HG21 THR 17 6.679 -4.125 0.014 121 HG22 THR 17 HG22 THR 17 7.007 -2.620 -0.877 122 HG23 THR 17 HG23 THR 17 6.519 -4.075 -1.753 123 H LYS 18 H LYS 18 10.510 -1.862 -0.767 124 HA LYS 18 HA LYS 18 9.699 0.109 1.336 125 HB2 LYS 18 HB2 LYS 18 12.080 -0.206 0.922 126 HB3 LYS 18 HB3 LYS 18 11.898 0.162 -0.792 127 HG2 LYS 18 HG2 LYS 18 10.970 2.171 1.246 128 HG3 LYS 18 HG3 LYS 18 12.703 1.980 1.004 129 HD2 LYS 18 HD2 LYS 18 12.670 2.701 -1.217 130 HD3 LYS 18 HD3 LYS 18 10.957 2.421 -1.436 131 HE2 LYS 18 HE2 LYS 18 12.194 4.624 0.264 132 HE3 LYS 18 HE3 LYS 18 11.474 4.801 -1.341 133 HZ1 LYS 18 HZ1 LYS 18 10.045 4.096 1.156 134 HZ2 LYS 18 HZ2 LYS 18 9.819 5.420 0.230 135 HZ3 LYS 18 HZ3 LYS 18 9.355 3.937 -0.307 136 H THR 19 H THR 19 9.120 -0.646 -1.973 137 HA THR 19 HA THR 19 7.467 1.823 -2.325 138 HB THR 19 HB THR 19 9.683 1.891 -3.546 139 HG1 THR 19 HG1 THR 19 8.673 2.799 -5.327 140 HG21 THR 19 HG21 THR 19 9.684 -0.476 -4.390 141 HG22 THR 19 HG22 THR 19 8.298 -0.076 -5.429 142 HG23 THR 19 HG23 THR 19 9.863 0.730 -5.676 143 H CYS 20 H CYS 20 5.835 1.661 -4.056 144 HA CYS 20 HA CYS 20 4.435 -0.923 -3.894 145 HB2 CYS 20 HB2 CYS 20 3.582 1.757 -5.029 146 HB3 CYS 20 HB3 CYS 20 2.561 0.318 -4.966 147 HA PRO 21 HA PRO 21 5.918 -2.128 -7.935 148 HB2 PRO 21 HB2 PRO 21 4.128 -4.139 -8.527 149 HB3 PRO 21 HB3 PRO 21 5.467 -4.308 -7.349 150 HG2 PRO 21 HG2 PRO 21 2.564 -3.657 -6.780 151 HG3 PRO 21 HG3 PRO 21 3.609 -4.838 -5.936 152 HD2 PRO 21 HD2 PRO 21 3.141 -2.373 -4.947 153 HD3 PRO 21 HD3 PRO 21 4.747 -3.147 -4.776 154 H SER 22 H SER 22 5.736 -0.981 -9.653 155 HA SER 22 HA SER 22 3.714 0.826 -10.167 156 HB2 SER 22 HB2 SER 22 5.734 -0.240 -12.176 157 HB3 SER 22 HB3 SER 22 4.953 1.350 -12.168 158 HG SER 22 HG SER 22 7.069 1.434 -11.289 159 H ASN 23 H ASN 23 3.952 -2.430 -11.501 160 HA ASN 23 HA ASN 23 2.109 -1.963 -13.707 161 HB2 ASN 23 HB2 ASN 23 3.249 -4.521 -12.500 162 HB3 ASN 23 HB3 ASN 23 2.313 -4.439 -13.988 163 HD21 ASN 23 HD21 ASN 23 5.468 -4.517 -12.850 164 HD22 ASN 23 HD22 ASN 23 6.233 -3.789 -14.253 165 H ARG 24 H ARG 24 1.502 -2.347 -10.395 166 HA ARG 24 HA ARG 24 -0.930 -4.005 -10.602 167 HB2 ARG 24 HB2 ARG 24 0.503 -2.749 -8.300 168 HB3 ARG 24 HB3 ARG 24 -0.976 -3.714 -8.188 169 HG2 ARG 24 HG2 ARG 24 0.751 -5.249 -9.887 170 HG3 ARG 24 HG3 ARG 24 1.802 -4.588 -8.651 171 HD2 ARG 24 HD2 ARG 24 1.065 -6.573 -7.708 172 HD3 ARG 24 HD3 ARG 24 -0.014 -5.356 -6.995 173 HE ARG 24 HE ARG 24 -0.716 -7.195 -9.263 174 HH11 ARG 24 HH11 ARG 24 -1.894 -5.384 -6.434 175 HH12 ARG 24 HH12 ARG 24 -3.494 -6.102 -6.665 176 HH21 ARG 24 HH21 ARG 24 -2.841 -7.945 -9.356 177 HH22 ARG 24 HH22 ARG 24 -3.975 -7.349 -8.139 178 H GLY 25 H GLY 25 -0.390 -0.680 -10.998 179 HA2 GLY 25 HA2 GLY 25 -1.957 0.889 -11.663 180 HA3 GLY 25 HA3 GLY 25 -3.261 -0.221 -11.246 181 H TYR 26 H TYR 26 -0.883 0.579 -8.775 182 HA TYR 26 HA TYR 26 -2.890 1.689 -7.046 183 HB2 TYR 26 HB2 TYR 26 0.140 1.631 -6.819 184 HB3 TYR 26 HB3 TYR 26 -0.949 2.137 -5.526 185 HD1 TYR 26 HD1 TYR 26 1.003 -0.558 -6.538 186 HD2 TYR 26 HD2 TYR 26 -3.010 0.322 -5.178 187 HE1 TYR 26 HE1 TYR 26 0.697 -2.919 -5.827 188 HE2 TYR 26 HE2 TYR 26 -3.305 -2.041 -4.509 189 HH TYR 26 HH TYR 26 -2.382 -4.135 -4.516 190 H THR 27 H THR 27 -3.296 3.755 -6.382 191 HA THR 27 HA THR 27 -2.327 5.942 -8.172 192 HB THR 27 HB THR 27 -4.791 5.335 -7.972 193 HG1 THR 27 HG1 THR 27 -3.925 7.986 -7.478 194 HG21 THR 27 HG21 THR 27 -4.878 5.260 -5.442 195 HG22 THR 27 HG22 THR 27 -4.679 7.020 -5.434 196 HG23 THR 27 HG23 THR 27 -6.098 6.289 -6.208 197 H GLY 28 H GLY 28 -1.926 4.807 -4.965 198 HA2 GLY 28 HA2 GLY 28 -0.071 6.893 -4.313 199 HA3 GLY 28 HA3 GLY 28 -1.571 7.111 -3.414 200 H SER 29 H SER 29 0.566 6.760 -1.928 201 HA SER 29 HA SER 29 0.368 4.085 -0.729 202 HB2 SER 29 HB2 SER 29 2.756 3.618 -0.997 203 HB3 SER 29 HB3 SER 29 1.931 3.764 -2.559 204 HG SER 29 HG SER 29 3.621 5.714 -1.332 205 H CYS 30 H CYS 30 1.599 3.828 1.246 206 HA CYS 30 HA CYS 30 3.034 6.111 2.329 207 HB2 CYS 30 HB2 CYS 30 1.720 6.438 4.314 208 HB3 CYS 30 HB3 CYS 30 0.639 6.599 2.927 209 H GLY 31 H GLY 31 4.559 5.539 3.910 210 HA2 GLY 31 HA2 GLY 31 5.359 2.794 4.029 211 HA3 GLY 31 HA3 GLY 31 5.982 4.088 5.052 212 H TYR 32 H TYR 32 5.010 1.182 5.548 213 HA TYR 32 HA TYR 32 3.025 1.716 7.721 214 HB2 TYR 32 HB2 TYR 32 2.445 0.557 5.324 215 HB3 TYR 32 HB3 TYR 32 2.965 -0.856 6.206 216 HD1 TYR 32 HD1 TYR 32 1.233 -2.020 7.399 217 HD2 TYR 32 HD2 TYR 32 0.779 2.184 6.522 218 HE1 TYR 32 HE1 TYR 32 -1.104 -2.096 8.237 219 HE2 TYR 32 HE2 TYR 32 -1.558 2.101 7.362 220 HH TYR 32 HH TYR 32 -3.023 -0.903 8.649 221 H PHE 33 H PHE 33 2.901 -0.427 9.169 222 HA PHE 33 HA PHE 33 5.500 -0.723 10.366 223 HB2 PHE 33 HB2 PHE 33 3.252 -0.939 11.505 224 HB3 PHE 33 HB3 PHE 33 3.094 -2.519 10.729 225 HD1 PHE 33 HD1 PHE 33 5.658 -0.591 12.737 226 HD2 PHE 33 HD2 PHE 33 3.634 -4.353 12.115 227 HE1 PHE 33 HE1 PHE 33 6.918 -1.583 14.629 228 HE2 PHE 33 HE2 PHE 33 4.889 -5.335 14.020 229 HZ PHE 33 HZ PHE 33 6.540 -3.957 15.272 230 H LEU 34 H LEU 34 7.117 -2.108 9.937 231 HA LEU 34 HA LEU 34 8.445 -3.567 8.878 232 HB2 LEU 34 HB2 LEU 34 6.060 -5.426 8.896 233 HB3 LEU 34 HB3 LEU 34 7.748 -5.897 8.777 234 HG LEU 34 HG LEU 34 6.510 -4.534 11.205 235 HD11 LEU 34 HD11 LEU 34 5.584 -6.753 10.795 236 HD12 LEU 34 HD12 LEU 34 7.223 -7.439 10.698 237 HD13 LEU 34 HD13 LEU 34 6.627 -6.752 12.231 238 HD21 LEU 34 HD21 LEU 34 8.928 -4.117 11.066 239 HD22 LEU 34 HD22 LEU 34 8.563 -5.260 12.362 240 HD23 LEU 34 HD23 LEU 34 9.227 -5.856 10.824 241 H GLY 35 H GLY 35 6.214 -2.127 7.068 242 HA2 GLY 35 HA2 GLY 35 7.394 -2.874 4.492 243 HA3 GLY 35 HA3 GLY 35 5.793 -3.560 4.746 244 H ILE 36 H ILE 36 4.646 -2.446 3.258 245 HA ILE 36 HA ILE 36 4.251 0.472 3.613 246 HB ILE 36 HB ILE 36 5.977 0.552 2.073 247 HG12 ILE 36 HG12 ILE 36 3.524 0.580 0.278 248 HG13 ILE 36 HG13 ILE 36 3.867 1.816 1.466 249 HG21 ILE 36 HG21 ILE 36 4.676 -1.502 0.258 250 HG22 ILE 36 HG22 ILE 36 6.262 -0.734 0.075 251 HG23 ILE 36 HG23 ILE 36 6.003 -1.885 1.376 252 HD11 ILE 36 HD11 ILE 36 4.641 2.623 -0.646 253 HD12 ILE 36 HD12 ILE 36 6.071 2.242 0.320 254 HD13 ILE 36 HD13 ILE 36 5.523 1.122 -0.965 255 H CYS 37 H CYS 37 2.364 1.286 2.890 256 HA CYS 37 HA CYS 37 0.154 -0.605 2.245 257 HB2 CYS 37 HB2 CYS 37 -0.079 0.742 4.250 258 HB3 CYS 37 HB3 CYS 37 0.367 2.195 3.379 259 H CYS 38 H CYS 38 -0.684 -0.528 0.220 260 HA CYS 38 HA CYS 38 -0.074 1.749 -1.631 261 HB2 CYS 38 HB2 CYS 38 -0.205 -1.203 -2.267 262 HB3 CYS 38 HB3 CYS 38 0.128 0.083 -3.415 263 H TYR 39 H TYR 39 -1.896 2.540 -2.678 264 HA TYR 39 HA TYR 39 -4.447 1.061 -2.317 265 HB2 TYR 39 HB2 TYR 39 -5.539 3.185 -1.576 266 HB3 TYR 39 HB3 TYR 39 -4.470 2.407 -0.448 267 HD1 TYR 39 HD1 TYR 39 -2.628 3.516 0.529 268 HD2 TYR 39 HD2 TYR 39 -4.789 5.313 -2.748 269 HE1 TYR 39 HE1 TYR 39 -1.591 5.722 1.052 270 HE2 TYR 39 HE2 TYR 39 -3.765 7.517 -2.211 271 HH TYR 39 HH TYR 39 -2.348 8.678 -0.827 272 HA PRO 40 HA PRO 40 -6.898 1.917 -2.672 273 HB2 PRO 40 HB2 PRO 40 -8.670 0.792 -4.393 274 HB3 PRO 40 HB3 PRO 40 -8.436 2.561 -4.259 275 HG2 PRO 40 HG2 PRO 40 -7.147 0.671 -6.267 276 HG3 PRO 40 HG3 PRO 40 -8.056 2.183 -6.604 277 HD2 PRO 40 HD2 PRO 40 -5.352 2.197 -6.451 278 HD3 PRO 40 HD3 PRO 40 -6.313 3.531 -5.751 279 H VAL 41 H VAL 41 -7.861 -0.066 -1.937 280 HA VAL 41 HA VAL 41 -6.153 -2.335 -1.790 281 HB VAL 41 HB VAL 41 -7.751 -1.599 -0.055 282 HG11 VAL 41 HG11 VAL 41 -9.717 -1.054 -1.473 283 HG12 VAL 41 HG12 VAL 41 -9.969 -2.791 -1.749 284 HG13 VAL 41 HG13 VAL 41 -10.101 -2.117 -0.116 285 HG21 VAL 41 HG21 VAL 41 -8.542 -3.802 0.658 286 HG22 VAL 41 HG22 VAL 41 -8.193 -4.469 -0.948 287 HG23 VAL 41 HG23 VAL 41 -6.875 -3.855 0.086 288 H ASP 42 H ASP 42 -6.130 -4.301 -2.810 289 HA ASP 42 HA ASP 42 -8.058 -4.806 -5.039 290 HB2 ASP 42 HB2 ASP 42 -6.010 -3.867 -5.959 291 HB3 ASP 42 HB3 ASP 42 -5.038 -5.056 -5.101 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -0.591 -7.745 0.562 2 H2 GLY 1 H2 GLY 1 -1.455 -8.976 -0.113 3 H3 GLY 1 H3 GLY 1 0.163 -9.128 0.115 4 HA2 GLY 1 HA2 GLY 1 -0.929 -10.406 1.789 5 HA3 GLY 1 HA3 GLY 1 -0.125 -9.006 2.520 6 H THR 2 H THR 2 -1.391 -8.337 4.152 7 HA THR 2 HA THR 2 -4.286 -8.633 4.172 8 HB THR 2 HB THR 2 -2.768 -9.019 6.095 9 HG1 THR 2 HG1 THR 2 -4.249 -8.223 7.544 10 HG21 THR 2 HG21 THR 2 -2.633 -5.990 6.297 11 HG22 THR 2 HG22 THR 2 -2.153 -7.142 7.554 12 HG23 THR 2 HG23 THR 2 -1.278 -7.099 6.023 13 H THR 3 H THR 3 -5.463 -6.530 5.312 14 HA THR 3 HA THR 3 -5.461 -4.414 3.287 15 HB THR 3 HB THR 3 -7.078 -3.478 5.330 16 HG1 THR 3 HG1 THR 3 -7.083 -5.295 6.558 17 HG21 THR 3 HG21 THR 3 -7.755 -5.273 2.982 18 HG22 THR 3 HG22 THR 3 -8.929 -4.312 3.918 19 HG23 THR 3 HG23 THR 3 -7.641 -3.493 3.011 20 H CYS 4 H CYS 4 -5.172 -2.249 3.653 21 HA CYS 4 HA CYS 4 -3.773 -1.410 6.121 22 HB2 CYS 4 HB2 CYS 4 -1.979 -0.405 5.025 23 HB3 CYS 4 HB3 CYS 4 -2.130 -1.978 4.257 24 H TYR 5 H TYR 5 -3.701 1.025 6.369 25 HA TYR 5 HA TYR 5 -5.882 2.448 4.920 26 HB2 TYR 5 HB2 TYR 5 -5.637 2.255 7.944 27 HB3 TYR 5 HB3 TYR 5 -6.697 3.355 7.086 28 HD1 TYR 5 HD1 TYR 5 -6.097 -0.210 7.945 29 HD2 TYR 5 HD2 TYR 5 -8.805 2.635 6.155 30 HE1 TYR 5 HE1 TYR 5 -7.923 -1.908 7.998 31 HE2 TYR 5 HE2 TYR 5 -10.633 0.949 6.243 32 HH TYR 5 HH TYR 5 -11.238 -1.179 6.853 33 H CYS 6 H CYS 6 -5.350 4.477 4.361 34 HA CYS 6 HA CYS 6 -3.710 6.101 6.216 35 HB2 CYS 6 HB2 CYS 6 -2.708 5.128 3.597 36 HB3 CYS 6 HB3 CYS 6 -2.524 6.857 3.841 37 H GLY 7 H GLY 7 -4.443 8.169 6.361 38 HA2 GLY 7 HA2 GLY 7 -5.724 10.046 5.970 39 HA3 GLY 7 HA3 GLY 7 -5.298 9.824 4.269 40 H LYS 8 H LYS 8 -7.322 7.741 6.330 41 HA LYS 8 HA LYS 8 -9.305 6.701 6.000 42 HB2 LYS 8 HB2 LYS 8 -10.231 9.385 4.933 43 HB3 LYS 8 HB3 LYS 8 -11.274 8.043 5.410 44 HG2 LYS 8 HG2 LYS 8 -10.339 8.139 7.723 45 HG3 LYS 8 HG3 LYS 8 -9.397 9.571 7.260 46 HD2 LYS 8 HD2 LYS 8 -11.488 10.777 6.702 47 HD3 LYS 8 HD3 LYS 8 -12.439 9.341 7.140 48 HE2 LYS 8 HE2 LYS 8 -11.522 9.448 9.452 49 HE3 LYS 8 HE3 LYS 8 -10.600 10.893 9.019 50 HZ1 LYS 8 HZ1 LYS 8 -12.694 11.471 10.107 51 HZ2 LYS 8 HZ2 LYS 8 -12.716 12.025 8.573 52 HZ3 LYS 8 HZ3 LYS 8 -13.567 10.687 8.974 53 H THR 9 H THR 9 -7.339 6.701 3.743 54 HA THR 9 HA THR 9 -9.093 5.542 1.626 55 HB THR 9 HB THR 9 -6.188 6.426 1.344 56 HG1 THR 9 HG1 THR 9 -7.599 8.190 1.559 57 HG21 THR 9 HG21 THR 9 -8.286 5.519 -0.684 58 HG22 THR 9 HG22 THR 9 -6.676 6.167 -1.074 59 HG23 THR 9 HG23 THR 9 -6.820 4.629 -0.212 60 H ILE 10 H ILE 10 -9.306 3.471 2.021 61 HA ILE 10 HA ILE 10 -7.338 1.832 3.402 62 HB ILE 10 HB ILE 10 -9.766 1.529 3.644 63 HG12 ILE 10 HG12 ILE 10 -8.387 -0.919 2.462 64 HG13 ILE 10 HG13 ILE 10 -8.322 -0.367 4.140 65 HG21 ILE 10 HG21 ILE 10 -10.325 2.135 1.285 66 HG22 ILE 10 HG22 ILE 10 -9.737 0.538 0.775 67 HG23 ILE 10 HG23 ILE 10 -11.150 0.683 1.852 68 HD11 ILE 10 HD11 ILE 10 -10.845 -0.667 4.240 69 HD12 ILE 10 HD12 ILE 10 -10.728 -1.479 2.660 70 HD13 ILE 10 HD13 ILE 10 -9.891 -2.149 4.069 71 H GLY 11 H GLY 11 -6.105 0.150 2.512 72 HA2 GLY 11 HA2 GLY 11 -5.859 -0.114 -0.436 73 HA3 GLY 11 HA3 GLY 11 -4.461 0.429 0.492 74 H ILE 12 H ILE 12 -3.594 -1.415 -0.558 75 HA ILE 12 HA ILE 12 -3.979 -3.984 0.871 76 HB ILE 12 HB ILE 12 -3.605 -3.277 -1.899 77 HG12 ILE 12 HG12 ILE 12 -5.168 -4.896 -1.144 78 HG13 ILE 12 HG13 ILE 12 -4.068 -5.567 -2.342 79 HG21 ILE 12 HG21 ILE 12 -1.800 -4.836 -2.534 80 HG22 ILE 12 HG22 ILE 12 -1.283 -3.325 -1.750 81 HG23 ILE 12 HG23 ILE 12 -1.253 -4.878 -0.863 82 HD11 ILE 12 HD11 ILE 12 -4.467 -7.255 -0.691 83 HD12 ILE 12 HD12 ILE 12 -2.791 -6.706 -0.503 84 HD13 ILE 12 HD13 ILE 12 -4.054 -6.162 0.629 85 H TYR 13 H TYR 13 -2.305 -4.914 1.921 86 HA TYR 13 HA TYR 13 0.024 -3.166 2.574 87 HB2 TYR 13 HB2 TYR 13 -1.189 -3.993 4.492 88 HB3 TYR 13 HB3 TYR 13 -1.080 -5.646 3.902 89 HD1 TYR 13 HD1 TYR 13 1.122 -2.768 4.906 90 HD2 TYR 13 HD2 TYR 13 0.655 -7.051 4.585 91 HE1 TYR 13 HE1 TYR 13 3.270 -3.100 6.135 92 HE2 TYR 13 HE2 TYR 13 2.816 -7.372 5.783 93 HH TYR 13 HH TYR 13 4.553 -4.647 7.235 94 H TRP 14 H TRP 14 1.965 -3.511 1.869 95 HA TRP 14 HA TRP 14 2.780 -6.167 0.739 96 HB2 TRP 14 HB2 TRP 14 3.458 -3.328 -0.038 97 HB3 TRP 14 HB3 TRP 14 4.451 -4.701 -0.521 98 HD1 TRP 14 HD1 TRP 14 1.275 -2.897 -1.356 99 HE1 TRP 14 HE1 TRP 14 0.223 -3.891 -3.497 100 HE3 TRP 14 HE3 TRP 14 4.221 -7.061 -1.875 101 HZ2 TRP 14 HZ2 TRP 14 0.578 -6.189 -5.165 102 HZ3 TRP 14 HZ3 TRP 14 3.830 -8.645 -3.751 103 HH2 TRP 14 HH2 TRP 14 2.013 -8.227 -5.393 104 H PHE 15 H PHE 15 4.550 -7.131 1.593 105 HA PHE 15 HA PHE 15 5.788 -5.907 4.008 106 HB2 PHE 15 HB2 PHE 15 4.714 -8.048 4.302 107 HB3 PHE 15 HB3 PHE 15 5.618 -8.749 2.966 108 HD1 PHE 15 HD1 PHE 15 7.851 -9.605 3.266 109 HD2 PHE 15 HD2 PHE 15 5.944 -7.376 6.426 110 HE1 PHE 15 HE1 PHE 15 9.678 -10.241 4.824 111 HE2 PHE 15 HE2 PHE 15 7.771 -8.005 7.975 112 HZ PHE 15 HZ PHE 15 9.644 -9.441 7.181 113 H GLY 16 H GLY 16 7.909 -5.462 4.198 114 HA2 GLY 16 HA2 GLY 16 10.139 -5.263 3.852 115 HA3 GLY 16 HA3 GLY 16 10.028 -6.773 2.961 116 H THR 17 H THR 17 8.272 -5.147 0.939 117 HA THR 17 HA THR 17 10.376 -4.831 -0.945 118 HB THR 17 HB THR 17 8.163 -5.744 -1.447 119 HG1 THR 17 HG1 THR 17 9.310 -4.966 -3.173 120 HG21 THR 17 HG21 THR 17 6.256 -4.199 -1.877 121 HG22 THR 17 HG22 THR 17 6.678 -4.342 -0.160 122 HG23 THR 17 HG23 THR 17 7.153 -2.901 -1.071 123 H LYS 18 H LYS 18 9.076 -2.465 1.135 124 HA LYS 18 HA LYS 18 9.400 -0.266 1.504 125 HB2 LYS 18 HB2 LYS 18 11.768 -1.105 1.154 126 HB3 LYS 18 HB3 LYS 18 11.710 -0.373 -0.452 127 HG2 LYS 18 HG2 LYS 18 11.209 1.848 0.653 128 HG3 LYS 18 HG3 LYS 18 11.427 1.069 2.221 129 HD2 LYS 18 HD2 LYS 18 13.487 1.369 -0.009 130 HD3 LYS 18 HD3 LYS 18 13.458 2.283 1.493 131 HE2 LYS 18 HE2 LYS 18 13.881 -0.736 1.278 132 HE3 LYS 18 HE3 LYS 18 15.171 0.458 1.413 133 HZ1 LYS 18 HZ1 LYS 18 13.086 -0.005 3.479 134 HZ2 LYS 18 HZ2 LYS 18 14.646 -0.469 3.578 135 HZ3 LYS 18 HZ3 LYS 18 14.273 1.118 3.577 136 H THR 19 H THR 19 9.110 -0.981 -1.919 137 HA THR 19 HA THR 19 7.645 1.606 -2.306 138 HB THR 19 HB THR 19 9.888 1.480 -3.457 139 HG1 THR 19 HG1 THR 19 9.023 2.412 -5.293 140 HG21 THR 19 HG21 THR 19 9.753 -0.906 -4.231 141 HG22 THR 19 HG22 THR 19 8.434 -0.448 -5.331 142 HG23 THR 19 HG23 THR 19 10.058 0.241 -5.547 143 H CYS 20 H CYS 20 6.078 1.517 -4.179 144 HA CYS 20 HA CYS 20 4.475 -0.954 -3.902 145 HB2 CYS 20 HB2 CYS 20 3.742 1.802 -4.911 146 HB3 CYS 20 HB3 CYS 20 2.645 0.422 -4.888 147 HA PRO 21 HA PRO 21 5.545 -2.227 -8.079 148 HB2 PRO 21 HB2 PRO 21 3.574 -4.136 -8.477 149 HB3 PRO 21 HB3 PRO 21 5.007 -4.392 -7.418 150 HG2 PRO 21 HG2 PRO 21 2.237 -3.468 -6.659 151 HG3 PRO 21 HG3 PRO 21 3.177 -4.769 -5.885 152 HD2 PRO 21 HD2 PRO 21 3.073 -2.313 -4.818 153 HD3 PRO 21 HD3 PRO 21 4.617 -3.214 -4.832 154 H SER 22 H SER 22 5.245 -1.120 -9.805 155 HA SER 22 HA SER 22 3.190 0.694 -10.306 156 HB2 SER 22 HB2 SER 22 4.986 -0.639 -12.374 157 HB3 SER 22 HB3 SER 22 4.227 0.956 -12.466 158 HG SER 22 HG SER 22 6.430 1.092 -11.832 159 H ASN 23 H ASN 23 3.430 -2.673 -11.348 160 HA ASN 23 HA ASN 23 1.401 -2.465 -13.399 161 HB2 ASN 23 HB2 ASN 23 2.693 -4.942 -12.189 162 HB3 ASN 23 HB3 ASN 23 1.816 -4.842 -13.717 163 HD21 ASN 23 HD21 ASN 23 2.782 -3.176 -15.355 164 HD22 ASN 23 HD22 ASN 23 4.537 -3.146 -15.413 165 H ARG 24 H ARG 24 0.856 -2.330 -10.199 166 HA ARG 24 HA ARG 24 -1.757 -3.799 -10.285 167 HB2 ARG 24 HB2 ARG 24 -0.428 -2.320 -8.012 168 HB3 ARG 24 HB3 ARG 24 -1.837 -3.360 -7.891 169 HG2 ARG 24 HG2 ARG 24 0.998 -4.276 -8.571 170 HG3 ARG 24 HG3 ARG 24 0.241 -4.348 -6.989 171 HD2 ARG 24 HD2 ARG 24 0.326 -6.509 -8.029 172 HD3 ARG 24 HD3 ARG 24 -1.324 -6.001 -7.673 173 HE ARG 24 HE ARG 24 -0.093 -5.812 -10.411 174 HH11 ARG 24 HH11 ARG 24 -2.947 -6.780 -8.524 175 HH12 ARG 24 HH12 ARG 24 -3.788 -7.222 -9.976 176 HH21 ARG 24 HH21 ARG 24 -1.386 -6.073 -12.124 177 HH22 ARG 24 HH22 ARG 24 -2.919 -6.887 -11.959 178 H GLY 25 H GLY 25 -0.581 -0.715 -10.925 179 HA2 GLY 25 HA2 GLY 25 -1.731 1.144 -11.683 180 HA3 GLY 25 HA3 GLY 25 -3.254 0.277 -11.460 181 H TYR 26 H TYR 26 -0.923 0.854 -8.837 182 HA TYR 26 HA TYR 26 -2.910 2.000 -7.120 183 HB2 TYR 26 HB2 TYR 26 0.120 1.907 -6.932 184 HB3 TYR 26 HB3 TYR 26 -0.930 2.435 -5.621 185 HD1 TYR 26 HD1 TYR 26 1.104 -0.154 -6.295 186 HD2 TYR 26 HD2 TYR 26 -3.108 0.497 -5.539 187 HE1 TYR 26 HE1 TYR 26 0.881 -2.445 -5.383 188 HE2 TYR 26 HE2 TYR 26 -3.324 -1.857 -4.787 189 HH TYR 26 HH TYR 26 -2.258 -3.866 -4.534 190 H THR 27 H THR 27 -3.227 4.052 -6.340 191 HA THR 27 HA THR 27 -2.193 6.303 -8.021 192 HB THR 27 HB THR 27 -4.143 7.557 -7.263 193 HG1 THR 27 HG1 THR 27 -5.736 6.523 -6.086 194 HG21 THR 27 HG21 THR 27 -4.321 6.167 -9.327 195 HG22 THR 27 HG22 THR 27 -4.985 4.835 -8.356 196 HG23 THR 27 HG23 THR 27 -5.871 6.369 -8.493 197 H GLY 28 H GLY 28 -1.929 4.961 -4.853 198 HA2 GLY 28 HA2 GLY 28 -0.018 7.006 -4.116 199 HA3 GLY 28 HA3 GLY 28 -1.500 7.141 -3.177 200 H SER 29 H SER 29 0.716 6.748 -1.804 201 HA SER 29 HA SER 29 0.482 4.063 -0.650 202 HB2 SER 29 HB2 SER 29 2.833 3.526 -0.921 203 HB3 SER 29 HB3 SER 29 2.075 3.780 -2.507 204 HG SER 29 HG SER 29 4.103 4.834 -2.378 205 H CYS 30 H CYS 30 1.723 3.767 1.321 206 HA CYS 30 HA CYS 30 3.141 6.028 2.459 207 HB2 CYS 30 HB2 CYS 30 1.769 6.334 4.432 208 HB3 CYS 30 HB3 CYS 30 0.762 6.583 3.003 209 H GLY 31 H GLY 31 4.597 5.441 4.097 210 HA2 GLY 31 HA2 GLY 31 5.382 2.696 4.248 211 HA3 GLY 31 HA3 GLY 31 5.951 3.986 5.310 212 H TYR 32 H TYR 32 4.927 1.072 5.719 213 HA TYR 32 HA TYR 32 2.891 1.624 7.841 214 HB2 TYR 32 HB2 TYR 32 2.225 0.650 5.431 215 HB3 TYR 32 HB3 TYR 32 2.732 -0.859 6.159 216 HD1 TYR 32 HD1 TYR 32 1.010 -2.080 7.319 217 HD2 TYR 32 HD2 TYR 32 0.642 2.196 6.835 218 HE1 TYR 32 HE1 TYR 32 -1.307 -2.168 8.231 219 HE2 TYR 32 HE2 TYR 32 -1.643 2.109 7.802 220 HH TYR 32 HH TYR 32 -3.268 0.788 8.741 221 H PHE 33 H PHE 33 2.581 -0.543 9.196 222 HA PHE 33 HA PHE 33 4.987 -0.949 10.636 223 HB2 PHE 33 HB2 PHE 33 2.689 -1.323 11.495 224 HB3 PHE 33 HB3 PHE 33 2.567 -2.753 10.462 225 HD1 PHE 33 HD1 PHE 33 4.918 -1.331 13.064 226 HD2 PHE 33 HD2 PHE 33 2.890 -4.814 11.520 227 HE1 PHE 33 HE1 PHE 33 5.883 -2.707 14.891 228 HE2 PHE 33 HE2 PHE 33 3.839 -6.179 13.362 229 HZ PHE 33 HZ PHE 33 5.344 -5.131 15.045 230 H LEU 34 H LEU 34 6.745 -2.071 10.174 231 HA LEU 34 HA LEU 34 8.259 -3.369 9.219 232 HB2 LEU 34 HB2 LEU 34 6.123 -5.497 9.055 233 HB3 LEU 34 HB3 LEU 34 7.862 -5.754 9.105 234 HG LEU 34 HG LEU 34 6.206 -4.586 11.382 235 HD11 LEU 34 HD11 LEU 34 7.428 -7.331 10.969 236 HD12 LEU 34 HD12 LEU 34 6.574 -6.766 12.430 237 HD13 LEU 34 HD13 LEU 34 5.700 -6.913 10.892 238 HD21 LEU 34 HD21 LEU 34 8.520 -3.777 11.494 239 HD22 LEU 34 HD22 LEU 34 8.218 -4.977 12.754 240 HD23 LEU 34 HD23 LEU 34 9.129 -5.438 11.295 241 H GLY 35 H GLY 35 6.092 -2.117 7.282 242 HA2 GLY 35 HA2 GLY 35 7.369 -2.891 4.748 243 HA3 GLY 35 HA3 GLY 35 5.760 -3.570 4.980 244 H ILE 36 H ILE 36 4.607 -2.490 3.476 245 HA ILE 36 HA ILE 36 4.249 0.432 3.722 246 HB ILE 36 HB ILE 36 6.031 0.458 2.239 247 HG12 ILE 36 HG12 ILE 36 3.631 0.468 0.382 248 HG13 ILE 36 HG13 ILE 36 3.931 1.712 1.569 249 HG21 ILE 36 HG21 ILE 36 6.148 -1.952 1.594 250 HG22 ILE 36 HG22 ILE 36 4.747 -1.697 0.530 251 HG23 ILE 36 HG23 ILE 36 6.284 -0.884 0.203 252 HD11 ILE 36 HD11 ILE 36 6.160 2.163 0.491 253 HD12 ILE 36 HD12 ILE 36 5.674 1.032 -0.810 254 HD13 ILE 36 HD13 ILE 36 4.755 2.518 -0.520 255 H CYS 37 H CYS 37 2.382 1.222 2.997 256 HA CYS 37 HA CYS 37 0.176 -0.654 2.294 257 HB2 CYS 37 HB2 CYS 37 -0.093 0.659 4.320 258 HB3 CYS 37 HB3 CYS 37 0.384 2.122 3.485 259 H CYS 38 H CYS 38 -0.614 -0.557 0.259 260 HA CYS 38 HA CYS 38 0.033 1.743 -1.547 261 HB2 CYS 38 HB2 CYS 38 -0.099 -1.194 -2.250 262 HB3 CYS 38 HB3 CYS 38 0.260 0.121 -3.354 263 H TYR 39 H TYR 39 -1.749 2.559 -2.612 264 HA TYR 39 HA TYR 39 -4.320 1.096 -2.391 265 HB2 TYR 39 HB2 TYR 39 -5.400 3.232 -1.597 266 HB3 TYR 39 HB3 TYR 39 -4.439 2.334 -0.463 267 HD1 TYR 39 HD1 TYR 39 -2.515 3.240 0.609 268 HD2 TYR 39 HD2 TYR 39 -4.561 5.430 -2.497 269 HE1 TYR 39 HE1 TYR 39 -1.398 5.342 1.356 270 HE2 TYR 39 HE2 TYR 39 -3.478 7.534 -1.720 271 HH TYR 39 HH TYR 39 -2.042 8.498 -0.212 272 HA PRO 40 HA PRO 40 -6.759 1.978 -2.758 273 HB2 PRO 40 HB2 PRO 40 -8.463 0.974 -4.629 274 HB3 PRO 40 HB3 PRO 40 -8.271 2.728 -4.321 275 HG2 PRO 40 HG2 PRO 40 -6.888 1.058 -6.459 276 HG3 PRO 40 HG3 PRO 40 -7.809 2.586 -6.677 277 HD2 PRO 40 HD2 PRO 40 -5.120 2.633 -6.449 278 HD3 PRO 40 HD3 PRO 40 -6.115 3.862 -5.616 279 H VAL 41 H VAL 41 -7.768 -0.085 -2.238 280 HA VAL 41 HA VAL 41 -5.999 -2.257 -2.056 281 HB VAL 41 HB VAL 41 -7.876 -1.647 -0.530 282 HG11 VAL 41 HG11 VAL 41 -9.672 -1.310 -2.224 283 HG12 VAL 41 HG12 VAL 41 -9.710 -3.066 -2.493 284 HG13 VAL 41 HG13 VAL 41 -10.135 -2.397 -0.908 285 HG21 VAL 41 HG21 VAL 41 -6.809 -3.779 -0.213 286 HG22 VAL 41 HG22 VAL 41 -8.534 -3.917 0.100 287 HG23 VAL 41 HG23 VAL 41 -7.877 -4.548 -1.421 288 H ASP 42 H ASP 42 -5.899 -4.288 -3.004 289 HA ASP 42 HA ASP 42 -7.098 -4.580 -5.728 290 HB2 ASP 42 HB2 ASP 42 -4.807 -3.802 -5.883 291 HB3 ASP 42 HB3 ASP 42 -4.250 -5.085 -4.817 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -5.313 -11.674 -0.350 2 H2 GLY 1 H2 GLY 1 -6.343 -10.711 0.488 3 H3 GLY 1 H3 GLY 1 -5.684 -12.026 1.208 4 HA2 GLY 1 HA2 GLY 1 -3.472 -11.076 1.069 5 HA3 GLY 1 HA3 GLY 1 -4.192 -9.648 0.305 6 H THR 2 H THR 2 -3.120 -8.518 2.107 7 HA THR 2 HA THR 2 -4.739 -8.504 4.641 8 HB THR 2 HB THR 2 -1.768 -7.933 4.323 9 HG1 THR 2 HG1 THR 2 -2.233 -10.129 4.250 10 HG21 THR 2 HG21 THR 2 -1.772 -7.930 6.817 11 HG22 THR 2 HG22 THR 2 -2.685 -6.577 6.144 12 HG23 THR 2 HG23 THR 2 -3.548 -7.990 6.802 13 H THR 3 H THR 3 -5.686 -6.571 5.136 14 HA THR 3 HA THR 3 -5.457 -4.363 3.298 15 HB THR 3 HB THR 3 -6.974 -3.358 5.341 16 HG1 THR 3 HG1 THR 3 -6.965 -5.105 6.669 17 HG21 THR 3 HG21 THR 3 -7.649 -3.475 3.069 18 HG22 THR 3 HG22 THR 3 -7.770 -5.254 3.115 19 HG23 THR 3 HG23 THR 3 -8.904 -4.253 4.057 20 H CYS 4 H CYS 4 -5.142 -2.228 3.771 21 HA CYS 4 HA CYS 4 -3.700 -1.501 6.231 22 HB2 CYS 4 HB2 CYS 4 -1.963 -0.371 5.160 23 HB3 CYS 4 HB3 CYS 4 -2.032 -1.930 4.387 24 H TYR 5 H TYR 5 -3.649 0.953 6.543 25 HA TYR 5 HA TYR 5 -5.821 2.404 5.120 26 HB2 TYR 5 HB2 TYR 5 -5.567 2.169 8.140 27 HB3 TYR 5 HB3 TYR 5 -6.580 3.334 7.312 28 HD1 TYR 5 HD1 TYR 5 -6.152 -0.267 8.106 29 HD2 TYR 5 HD2 TYR 5 -8.712 2.733 6.351 30 HE1 TYR 5 HE1 TYR 5 -8.063 -1.871 8.139 31 HE2 TYR 5 HE2 TYR 5 -10.623 1.141 6.419 32 HH TYR 5 HH TYR 5 -11.338 -0.958 7.010 33 H CYS 6 H CYS 6 -5.299 4.432 4.602 34 HA CYS 6 HA CYS 6 -3.454 6.002 6.330 35 HB2 CYS 6 HB2 CYS 6 -2.983 5.279 3.440 36 HB3 CYS 6 HB3 CYS 6 -2.454 6.849 4.018 37 H GLY 7 H GLY 7 -4.268 8.037 6.661 38 HA2 GLY 7 HA2 GLY 7 -5.553 9.937 6.406 39 HA3 GLY 7 HA3 GLY 7 -5.191 9.781 4.684 40 H LYS 8 H LYS 8 -7.177 7.630 6.712 41 HA LYS 8 HA LYS 8 -9.197 6.676 6.433 42 HB2 LYS 8 HB2 LYS 8 -9.743 9.157 6.962 43 HB3 LYS 8 HB3 LYS 8 -10.306 9.231 5.289 44 HG2 LYS 8 HG2 LYS 8 -11.956 7.425 5.779 45 HG3 LYS 8 HG3 LYS 8 -11.273 7.233 7.395 46 HD2 LYS 8 HD2 LYS 8 -13.332 8.482 7.538 47 HD3 LYS 8 HD3 LYS 8 -11.981 9.538 7.976 48 HE2 LYS 8 HE2 LYS 8 -12.023 10.537 5.697 49 HE3 LYS 8 HE3 LYS 8 -13.338 9.446 5.239 50 HZ1 LYS 8 HZ1 LYS 8 -13.503 11.509 7.373 51 HZ2 LYS 8 HZ2 LYS 8 -14.179 11.630 5.894 52 HZ3 LYS 8 HZ3 LYS 8 -14.721 10.506 6.945 53 H THR 9 H THR 9 -7.309 6.658 4.135 54 HA THR 9 HA THR 9 -9.141 5.567 2.045 55 HB THR 9 HB THR 9 -6.274 6.536 1.677 56 HG1 THR 9 HG1 THR 9 -7.723 8.242 1.948 57 HG21 THR 9 HG21 THR 9 -6.855 4.736 0.110 58 HG22 THR 9 HG22 THR 9 -8.376 5.558 -0.308 59 HG23 THR 9 HG23 THR 9 -6.810 6.289 -0.730 60 H ILE 10 H ILE 10 -9.302 3.482 2.342 61 HA ILE 10 HA ILE 10 -7.304 1.808 3.635 62 HB ILE 10 HB ILE 10 -9.735 1.514 3.888 63 HG12 ILE 10 HG12 ILE 10 -8.371 -0.912 2.647 64 HG13 ILE 10 HG13 ILE 10 -8.300 -0.394 4.338 65 HG21 ILE 10 HG21 ILE 10 -10.316 2.176 1.549 66 HG22 ILE 10 HG22 ILE 10 -9.749 0.585 1.000 67 HG23 ILE 10 HG23 ILE 10 -11.145 0.720 2.100 68 HD11 ILE 10 HD11 ILE 10 -9.882 -2.158 4.254 69 HD12 ILE 10 HD12 ILE 10 -10.830 -0.673 4.431 70 HD13 ILE 10 HD13 ILE 10 -10.711 -1.475 2.846 71 H GLY 11 H GLY 11 -6.036 0.188 2.676 72 HA2 GLY 11 HA2 GLY 11 -5.960 -0.090 -0.279 73 HA3 GLY 11 HA3 GLY 11 -4.505 0.464 0.548 74 H ILE 12 H ILE 12 -3.698 -1.419 -0.518 75 HA ILE 12 HA ILE 12 -4.015 -3.979 0.940 76 HB ILE 12 HB ILE 12 -3.648 -3.268 -1.824 77 HG12 ILE 12 HG12 ILE 12 -5.137 -4.972 -1.098 78 HG13 ILE 12 HG13 ILE 12 -3.990 -5.577 -2.286 79 HG21 ILE 12 HG21 ILE 12 -1.781 -4.756 -2.460 80 HG22 ILE 12 HG22 ILE 12 -1.325 -3.224 -1.682 81 HG23 ILE 12 HG23 ILE 12 -1.237 -4.779 -0.796 82 HD11 ILE 12 HD11 ILE 12 -4.291 -7.306 -0.689 83 HD12 ILE 12 HD12 ILE 12 -2.676 -6.638 -0.386 84 HD13 ILE 12 HD13 ILE 12 -4.050 -6.207 0.666 85 H TYR 13 H TYR 13 -2.310 -4.874 1.997 86 HA TYR 13 HA TYR 13 -0.003 -3.090 2.633 87 HB2 TYR 13 HB2 TYR 13 -1.227 -3.958 4.538 88 HB3 TYR 13 HB3 TYR 13 -1.077 -5.598 3.938 89 HD1 TYR 13 HD1 TYR 13 1.336 -2.744 4.562 90 HD2 TYR 13 HD2 TYR 13 0.355 -6.903 5.196 91 HE1 TYR 13 HE1 TYR 13 3.442 -3.058 5.850 92 HE2 TYR 13 HE2 TYR 13 2.443 -7.195 6.509 93 HH TYR 13 HH TYR 13 4.313 -6.197 7.335 94 H TRP 14 H TRP 14 1.911 -3.366 1.733 95 HA TRP 14 HA TRP 14 2.677 -6.003 0.533 96 HB2 TRP 14 HB2 TRP 14 3.498 -3.171 -0.154 97 HB3 TRP 14 HB3 TRP 14 4.364 -4.599 -0.712 98 HD1 TRP 14 HD1 TRP 14 1.315 -2.556 -1.515 99 HE1 TRP 14 HE1 TRP 14 0.149 -3.557 -3.590 100 HE3 TRP 14 HE3 TRP 14 3.974 -6.930 -1.993 101 HZ2 TRP 14 HZ2 TRP 14 0.356 -5.862 -5.252 102 HZ3 TRP 14 HZ3 TRP 14 3.466 -8.501 -3.852 103 HH2 TRP 14 HH2 TRP 14 1.661 -7.987 -5.480 104 H PHE 15 H PHE 15 3.954 -7.146 1.783 105 HA PHE 15 HA PHE 15 5.738 -5.838 3.770 106 HB2 PHE 15 HB2 PHE 15 4.202 -7.497 4.646 107 HB3 PHE 15 HB3 PHE 15 4.745 -8.685 3.473 108 HD1 PHE 15 HD1 PHE 15 6.115 -10.360 4.350 109 HD2 PHE 15 HD2 PHE 15 6.386 -6.387 6.016 110 HE1 PHE 15 HE1 PHE 15 7.848 -11.140 5.944 111 HE2 PHE 15 HE2 PHE 15 8.112 -7.176 7.610 112 HZ PHE 15 HZ PHE 15 8.850 -9.552 7.576 113 H GLY 16 H GLY 16 7.923 -6.250 3.879 114 HA2 GLY 16 HA2 GLY 16 10.034 -6.973 3.259 115 HA3 GLY 16 HA3 GLY 16 9.299 -8.150 2.166 116 H THR 17 H THR 17 8.474 -4.776 1.813 117 HA THR 17 HA THR 17 10.482 -4.217 -0.247 118 HB THR 17 HB THR 17 8.510 -5.195 -1.480 119 HG1 THR 17 HG1 THR 17 8.281 -3.095 -2.712 120 HG21 THR 17 HG21 THR 17 6.698 -4.318 0.008 121 HG22 THR 17 HG22 THR 17 7.019 -2.707 -0.669 122 HG23 THR 17 HG23 THR 17 6.476 -4.017 -1.726 123 H LYS 18 H LYS 18 10.538 -1.994 -0.768 124 HA LYS 18 HA LYS 18 9.455 -0.096 1.295 125 HB2 LYS 18 HB2 LYS 18 11.939 -0.597 1.309 126 HB3 LYS 18 HB3 LYS 18 12.053 0.217 -0.255 127 HG2 LYS 18 HG2 LYS 18 11.356 2.333 0.732 128 HG3 LYS 18 HG3 LYS 18 10.880 1.534 2.236 129 HD2 LYS 18 HD2 LYS 18 12.968 2.715 2.557 130 HD3 LYS 18 HD3 LYS 18 13.231 0.972 2.715 131 HE2 LYS 18 HE2 LYS 18 14.116 0.898 0.390 132 HE3 LYS 18 HE3 LYS 18 13.824 2.635 0.221 133 HZ1 LYS 18 HZ1 LYS 18 16.136 2.172 0.817 134 HZ2 LYS 18 HZ2 LYS 18 15.425 3.007 2.024 135 HZ3 LYS 18 HZ3 LYS 18 15.690 1.401 2.182 136 H THR 19 H THR 19 9.294 -0.958 -1.925 137 HA THR 19 HA THR 19 7.942 1.592 -2.683 138 HB THR 19 HB THR 19 10.187 1.350 -3.804 139 HG1 THR 19 HG1 THR 19 9.326 2.007 -5.755 140 HG21 THR 19 HG21 THR 19 8.805 -0.840 -5.437 141 HG22 THR 19 HG22 THR 19 10.420 -0.153 -5.698 142 HG23 THR 19 HG23 THR 19 10.101 -1.127 -4.255 143 H CYS 20 H CYS 20 6.335 1.255 -4.476 144 HA CYS 20 HA CYS 20 5.021 -1.388 -4.149 145 HB2 CYS 20 HB2 CYS 20 3.882 1.285 -3.977 146 HB3 CYS 20 HB3 CYS 20 2.942 0.102 -4.907 147 HA PRO 21 HA PRO 21 5.740 -2.394 -8.237 148 HB2 PRO 21 HB2 PRO 21 3.751 -4.224 -8.755 149 HB3 PRO 21 HB3 PRO 21 5.125 -4.510 -7.635 150 HG2 PRO 21 HG2 PRO 21 2.321 -3.585 -6.919 151 HG3 PRO 21 HG3 PRO 21 3.248 -4.909 -6.148 152 HD2 PRO 21 HD2 PRO 21 3.185 -2.481 -5.055 153 HD3 PRO 21 HD3 PRO 21 4.709 -3.420 -5.083 154 H SER 22 H SER 22 5.599 -1.217 -9.925 155 HA SER 22 HA SER 22 3.758 0.860 -10.321 156 HB2 SER 22 HB2 SER 22 4.888 0.923 -12.621 157 HB3 SER 22 HB3 SER 22 5.938 1.085 -11.198 158 HG SER 22 HG SER 22 6.779 -0.391 -12.752 159 H ASN 23 H ASN 23 3.904 -2.315 -11.894 160 HA ASN 23 HA ASN 23 1.805 -1.714 -13.795 161 HB2 ASN 23 HB2 ASN 23 2.993 -4.406 -13.032 162 HB3 ASN 23 HB3 ASN 23 2.120 -4.017 -14.517 163 HD21 ASN 23 HD21 ASN 23 3.256 -1.821 -15.591 164 HD22 ASN 23 HD22 ASN 23 4.980 -2.077 -15.801 165 H ARG 24 H ARG 24 1.455 -2.185 -10.538 166 HA ARG 24 HA ARG 24 -0.941 -3.900 -10.603 167 HB2 ARG 24 HB2 ARG 24 1.046 -3.679 -8.818 168 HB3 ARG 24 HB3 ARG 24 0.030 -2.386 -8.192 169 HG2 ARG 24 HG2 ARG 24 -0.619 -4.261 -6.959 170 HG3 ARG 24 HG3 ARG 24 -1.876 -4.200 -8.200 171 HD2 ARG 24 HD2 ARG 24 -0.350 -5.861 -9.486 172 HD3 ARG 24 HD3 ARG 24 0.568 -5.997 -7.979 173 HE ARG 24 HE ARG 24 -2.251 -6.407 -7.473 174 HH11 ARG 24 HH11 ARG 24 0.453 -8.198 -8.836 175 HH12 ARG 24 HH12 ARG 24 -0.300 -9.725 -8.459 176 HH21 ARG 24 HH21 ARG 24 -3.101 -8.225 -7.075 177 HH22 ARG 24 HH22 ARG 24 -2.321 -9.765 -7.454 178 H GLY 25 H GLY 25 -0.380 -0.578 -11.048 179 HA2 GLY 25 HA2 GLY 25 -1.928 1.007 -11.695 180 HA3 GLY 25 HA3 GLY 25 -3.241 -0.093 -11.279 181 H TYR 26 H TYR 26 -0.817 0.767 -8.839 182 HA TYR 26 HA TYR 26 -2.847 1.801 -7.088 183 HB2 TYR 26 HB2 TYR 26 0.186 1.777 -6.897 184 HB3 TYR 26 HB3 TYR 26 -0.867 2.359 -5.602 185 HD1 TYR 26 HD1 TYR 26 1.136 -0.326 -6.233 186 HD2 TYR 26 HD2 TYR 26 -3.038 0.507 -5.380 187 HE1 TYR 26 HE1 TYR 26 0.773 -2.669 -5.518 188 HE2 TYR 26 HE2 TYR 26 -3.352 -1.834 -4.644 189 HH TYR 26 HH TYR 26 -2.427 -3.879 -4.479 190 H THR 27 H THR 27 -3.349 3.801 -6.394 191 HA THR 27 HA THR 27 -2.518 6.069 -8.146 192 HB THR 27 HB THR 27 -4.942 5.372 -7.861 193 HG1 THR 27 HG1 THR 27 -5.582 7.507 -7.953 194 HG21 THR 27 HG21 THR 27 -4.754 6.961 -5.263 195 HG22 THR 27 HG22 THR 27 -6.200 6.238 -5.998 196 HG23 THR 27 HG23 THR 27 -4.930 5.197 -5.341 197 H GLY 28 H GLY 28 -2.000 4.868 -4.961 198 HA2 GLY 28 HA2 GLY 28 -0.047 6.887 -4.419 199 HA3 GLY 28 HA3 GLY 28 -1.473 7.154 -3.419 200 H SER 29 H SER 29 0.874 6.681 -2.206 201 HA SER 29 HA SER 29 0.483 4.128 -0.825 202 HB2 SER 29 HB2 SER 29 2.757 3.353 -1.157 203 HB3 SER 29 HB3 SER 29 1.881 3.446 -2.692 204 HG SER 29 HG SER 29 2.986 5.370 -3.164 205 H CYS 30 H CYS 30 1.740 3.863 1.078 206 HA CYS 30 HA CYS 30 3.170 6.162 2.234 207 HB2 CYS 30 HB2 CYS 30 1.578 6.136 4.212 208 HB3 CYS 30 HB3 CYS 30 0.866 6.785 2.730 209 H GLY 31 H GLY 31 4.558 5.580 3.918 210 HA2 GLY 31 HA2 GLY 31 5.282 2.827 4.178 211 HA3 GLY 31 HA3 GLY 31 5.834 4.130 5.227 212 H TYR 32 H TYR 32 4.677 1.250 5.614 213 HA TYR 32 HA TYR 32 2.517 1.872 7.597 214 HB2 TYR 32 HB2 TYR 32 2.032 0.494 5.475 215 HB3 TYR 32 HB3 TYR 32 3.002 -0.772 6.201 216 HD1 TYR 32 HD1 TYR 32 0.018 1.437 6.754 217 HD2 TYR 32 HD2 TYR 32 1.943 -2.298 7.738 218 HE1 TYR 32 HE1 TYR 32 -1.987 0.745 8.050 219 HE2 TYR 32 HE2 TYR 32 -0.087 -3.011 8.984 220 HH TYR 32 HH TYR 32 -2.961 -0.897 9.332 221 H PHE 33 H PHE 33 2.519 -0.313 9.179 222 HA PHE 33 HA PHE 33 5.022 -0.231 10.681 223 HB2 PHE 33 HB2 PHE 33 2.724 -0.700 11.641 224 HB3 PHE 33 HB3 PHE 33 2.807 -2.284 10.863 225 HD1 PHE 33 HD1 PHE 33 4.754 -0.038 13.181 226 HD2 PHE 33 HD2 PHE 33 3.730 -4.089 12.103 227 HE1 PHE 33 HE1 PHE 33 6.019 -0.882 15.145 228 HE2 PHE 33 HE2 PHE 33 4.993 -4.928 14.071 229 HZ PHE 33 HZ PHE 33 6.143 -3.327 15.590 230 H LEU 34 H LEU 34 6.791 -1.267 10.227 231 HA LEU 34 HA LEU 34 8.380 -2.488 9.302 232 HB2 LEU 34 HB2 LEU 34 6.362 -4.713 8.963 233 HB3 LEU 34 HB3 LEU 34 8.112 -4.871 8.944 234 HG LEU 34 HG LEU 34 6.474 -3.954 11.351 235 HD11 LEU 34 HD11 LEU 34 6.023 -6.277 10.773 236 HD12 LEU 34 HD12 LEU 34 7.768 -6.636 10.773 237 HD13 LEU 34 HD13 LEU 34 6.944 -6.156 12.279 238 HD21 LEU 34 HD21 LEU 34 8.758 -3.075 11.460 239 HD22 LEU 34 HD22 LEU 34 8.539 -4.372 12.635 240 HD23 LEU 34 HD23 LEU 34 9.418 -4.695 11.121 241 H GLY 35 H GLY 35 5.565 -3.274 7.222 242 HA2 GLY 35 HA2 GLY 35 7.209 -2.969 4.755 243 HA3 GLY 35 HA3 GLY 35 5.593 -3.642 4.887 244 H ILE 36 H ILE 36 4.795 -2.440 3.221 245 HA ILE 36 HA ILE 36 4.282 0.468 3.700 246 HB ILE 36 HB ILE 36 6.028 0.615 2.211 247 HG12 ILE 36 HG12 ILE 36 3.623 0.513 0.357 248 HG13 ILE 36 HG13 ILE 36 3.938 1.821 1.468 249 HG21 ILE 36 HG21 ILE 36 6.261 -1.771 1.568 250 HG22 ILE 36 HG22 ILE 36 4.870 -1.590 0.478 251 HG23 ILE 36 HG23 ILE 36 6.374 -0.692 0.188 252 HD11 ILE 36 HD11 ILE 36 4.695 2.573 -0.630 253 HD12 ILE 36 HD12 ILE 36 6.167 2.174 0.266 254 HD13 ILE 36 HD13 ILE 36 5.536 1.060 -0.987 255 H CYS 37 H CYS 37 2.390 1.312 2.939 256 HA CYS 37 HA CYS 37 0.188 -0.611 2.316 257 HB2 CYS 37 HB2 CYS 37 -0.076 0.525 4.403 258 HB3 CYS 37 HB3 CYS 37 0.413 2.064 3.730 259 H CYS 38 H CYS 38 -0.729 -0.456 0.331 260 HA CYS 38 HA CYS 38 -0.387 2.005 -1.312 261 HB2 CYS 38 HB2 CYS 38 0.189 -0.829 -2.136 262 HB3 CYS 38 HB3 CYS 38 0.105 0.542 -3.255 263 H TYR 39 H TYR 39 -2.066 2.625 -2.532 264 HA TYR 39 HA TYR 39 -4.572 1.034 -2.310 265 HB2 TYR 39 HB2 TYR 39 -5.740 3.192 -1.695 266 HB3 TYR 39 HB3 TYR 39 -4.738 2.434 -0.486 267 HD1 TYR 39 HD1 TYR 39 -2.858 3.525 0.494 268 HD2 TYR 39 HD2 TYR 39 -4.944 5.296 -2.845 269 HE1 TYR 39 HE1 TYR 39 -1.673 5.677 0.897 270 HE2 TYR 39 HE2 TYR 39 -3.776 7.459 -2.419 271 HH TYR 39 HH TYR 39 -1.387 7.853 0.221 272 HA PRO 40 HA PRO 40 -7.011 1.785 -2.794 273 HB2 PRO 40 HB2 PRO 40 -8.670 0.596 -4.587 274 HB3 PRO 40 HB3 PRO 40 -8.518 2.372 -4.435 275 HG2 PRO 40 HG2 PRO 40 -7.085 0.547 -6.406 276 HG3 PRO 40 HG3 PRO 40 -8.029 2.031 -6.767 277 HD2 PRO 40 HD2 PRO 40 -5.331 2.117 -6.513 278 HD3 PRO 40 HD3 PRO 40 -6.353 3.429 -5.858 279 H VAL 41 H VAL 41 -7.936 -0.278 -2.127 280 HA VAL 41 HA VAL 41 -6.075 -2.405 -1.886 281 HB VAL 41 HB VAL 41 -7.865 -1.794 -0.277 282 HG11 VAL 41 HG11 VAL 41 -9.794 -3.280 -2.096 283 HG12 VAL 41 HG12 VAL 41 -10.131 -2.586 -0.500 284 HG13 VAL 41 HG13 VAL 41 -9.768 -1.519 -1.863 285 HG21 VAL 41 HG21 VAL 41 -6.744 -3.911 0.004 286 HG22 VAL 41 HG22 VAL 41 -8.446 -4.068 0.430 287 HG23 VAL 41 HG23 VAL 41 -7.875 -4.711 -1.122 288 H ASP 42 H ASP 42 -5.870 -4.382 -2.856 289 HA ASP 42 HA ASP 42 -7.247 -4.805 -5.475 290 HB2 ASP 42 HB2 ASP 42 -4.988 -3.926 -5.738 291 HB3 ASP 42 HB3 ASP 42 -4.338 -5.204 -4.718
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