NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
591854 | 2n4f | 16029 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 1H ALA 1 2.482 18.503 10.709 2 HA ALA 1 HA ALA 1 0.444 20.242 10.490 3 HB1 ALA 1 3HB ALA 1 0.811 17.463 9.268 4 HB2 ALA 1 1HB ALA 1 -0.277 18.748 8.642 5 HB3 ALA 1 2HB ALA 1 1.501 18.999 8.645 6 H ALA 2 H ALA 2 -1.885 20.065 10.578 7 HA ALA 2 HA ALA 2 -2.804 17.926 12.393 8 HB1 ALA 2 3HB ALA 2 -3.937 20.709 11.822 9 HB2 ALA 2 1HB ALA 2 -4.658 19.489 12.925 10 HB3 ALA 2 2HB ALA 2 -3.053 20.202 13.301 11 H VAL 3 H VAL 3 -2.717 16.647 10.185 12 HA VAL 3 HA VAL 3 -5.272 17.133 8.817 13 HB VAL 3 HB VAL 3 -2.638 16.165 7.590 14 HG11 VAL 3 1HG1 VAL 3 -3.865 16.268 5.443 15 HG12 VAL 3 2HG1 VAL 3 -4.598 15.083 6.576 16 HG13 VAL 3 3HG1 VAL 3 -5.371 16.685 6.329 17 HG21 VAL 3 3HG2 VAL 3 -2.620 18.575 8.073 18 HG22 VAL 3 1HG2 VAL 3 -2.726 18.278 6.305 19 HG23 VAL 3 2HG2 VAL 3 -4.190 18.770 7.222 20 H ARG 4 H ARG 4 -6.560 15.282 8.411 21 HA ARG 4 HA ARG 4 -5.668 12.974 9.969 22 HB2 ARG 4 2HB ARG 4 -8.418 13.834 9.040 23 HB3 ARG 4 3HB ARG 4 -8.069 12.324 9.891 24 HG2 ARG 4 2HG ARG 4 -7.241 13.578 11.841 25 HG3 ARG 4 3HG ARG 4 -7.489 15.108 10.990 26 HD2 ARG 4 2HD ARG 4 -9.903 14.634 10.865 27 HD3 ARG 4 3HD ARG 4 -9.643 13.123 11.746 28 HE ARG 4 HE ARG 4 -8.567 15.111 13.365 29 HH11 ARG 4 1HH1 ARG 4 -11.721 14.472 11.951 30 HH12 ARG 4 2HH1 ARG 4 -12.585 15.198 13.266 31 HH21 ARG 4 1HH2 ARG 4 -9.686 16.047 15.036 32 HH22 ARG 4 2HH2 ARG 4 -11.418 16.102 15.037 33 H LYS 5 H LYS 5 -6.145 14.009 6.653 34 HA LYS 5 HA LYS 5 -6.188 11.213 5.768 35 HB2 LYS 5 2HB LYS 5 -6.459 13.872 4.288 36 HB3 LYS 5 3HB LYS 5 -6.424 12.292 3.495 37 HG2 LYS 5 2HG LYS 5 -8.481 11.618 4.729 38 HG3 LYS 5 3HG LYS 5 -8.513 13.188 5.543 39 HD2 LYS 5 2HD LYS 5 -8.730 14.341 3.344 40 HD3 LYS 5 3HD LYS 5 -8.655 12.784 2.508 41 HE2 LYS 5 2HE LYS 5 -10.716 12.043 3.747 42 HE3 LYS 5 3HE LYS 5 -10.801 13.628 4.526 43 HZ1 LYS 5 3HZ LYS 5 -10.959 13.152 1.617 44 HZ2 LYS 5 1HZ LYS 5 -12.214 13.514 2.596 45 HZ3 LYS 5 2HZ LYS 5 -11.037 14.615 2.337 46 H ILE 6 H ILE 6 -4.530 10.371 4.341 47 HA ILE 6 HA ILE 6 -2.157 12.067 4.113 48 HB ILE 6 HB ILE 6 -0.742 10.040 4.615 49 HG12 ILE 6 2HG1 ILE 6 -3.381 8.882 5.633 50 HG13 ILE 6 3HG1 ILE 6 -2.541 8.358 4.168 51 HG21 ILE 6 1HG2 ILE 6 -1.010 10.163 7.070 52 HG22 ILE 6 2HG2 ILE 6 -1.103 11.785 6.304 53 HG23 ILE 6 3HG2 ILE 6 -2.603 10.964 6.852 54 HD11 ILE 6 3HD1 ILE 6 -1.440 8.191 7.009 55 HD12 ILE 6 1HD1 ILE 6 -2.095 6.831 6.035 56 HD13 ILE 6 2HD1 ILE 6 -0.587 7.659 5.520 57 H HIS 7 H HIS 7 -0.757 11.501 2.280 58 HA HIS 7 HA HIS 7 -2.168 9.857 0.287 59 HB2 HIS 7 2HB HIS 7 -0.027 12.025 0.010 60 HB3 HIS 7 3HB HIS 7 -0.653 11.060 -1.334 61 HD2 HIS 7 HD2 HIS 7 -1.633 14.173 0.781 62 HE1 HIS 7 HE1 HIS 7 -4.854 13.362 -1.919 63 H VAL 8 H VAL 8 -1.061 8.173 -0.834 64 HA VAL 8 HA VAL 8 1.556 7.508 0.330 65 HB VAL 8 HB VAL 8 -0.745 5.634 -0.422 66 HG11 VAL 8 1HG1 VAL 8 0.741 3.814 0.357 67 HG12 VAL 8 2HG1 VAL 8 1.422 4.670 -1.068 68 HG13 VAL 8 3HG1 VAL 8 2.072 5.000 0.574 69 HG21 VAL 8 3HG2 VAL 8 -1.047 6.758 1.742 70 HG22 VAL 8 1HG2 VAL 8 -0.680 5.015 1.973 71 HG23 VAL 8 2HG2 VAL 8 0.598 6.246 2.252 72 H THR 9 H THR 9 3.187 6.989 -1.148 73 HA THR 9 HA THR 9 2.444 7.079 -3.953 74 HB THR 9 HB THR 9 5.162 6.954 -2.542 75 HG1 THR 9 HG1 THR 9 5.247 9.194 -3.292 76 HG21 THR 9 3HG2 THR 9 4.465 7.381 -5.489 77 HG22 THR 9 1HG2 THR 9 6.104 7.508 -4.766 78 HG23 THR 9 2HG2 THR 9 5.250 5.928 -4.785 79 H VAL 10 H VAL 10 2.003 5.200 -5.062 80 HA VAL 10 HA VAL 10 3.074 2.723 -3.917 81 HB VAL 10 HB VAL 10 0.759 3.218 -5.863 82 HG11 VAL 10 1HG1 VAL 10 0.261 0.817 -5.559 83 HG12 VAL 10 2HG1 VAL 10 1.872 1.078 -6.311 84 HG13 VAL 10 3HG1 VAL 10 1.752 0.637 -4.574 85 HG21 VAL 10 3HG2 VAL 10 0.266 3.959 -3.575 86 HG22 VAL 10 1HG2 VAL 10 -0.664 2.477 -3.982 87 HG23 VAL 10 2HG2 VAL 10 0.789 2.365 -2.932 88 H LYS 11 H LYS 11 4.804 1.791 -4.968 89 HA LYS 11 HA LYS 11 5.336 2.762 -7.695 90 HB2 LYS 11 2HB LYS 11 7.173 1.580 -5.557 91 HB3 LYS 11 3HB LYS 11 7.683 2.057 -7.182 92 HG2 LYS 11 2HG LYS 11 7.049 4.415 -6.700 93 HG3 LYS 11 3HG LYS 11 6.503 3.947 -5.084 94 HD2 LYS 11 2HD LYS 11 8.843 3.084 -4.602 95 HD3 LYS 11 3HD LYS 11 9.356 3.704 -6.176 96 HE2 LYS 11 2HE LYS 11 8.597 6.009 -5.483 97 HE3 LYS 11 3HE LYS 11 8.174 5.367 -3.890 98 HZ1 LYS 11 3HZ LYS 11 10.852 5.548 -5.089 99 HZ2 LYS 11 1HZ LYS 11 10.314 6.245 -3.715 100 HZ3 LYS 11 2HZ LYS 11 10.556 4.631 -3.771 101 H PHE 12 H PHE 12 4.927 1.327 -9.347 102 HA PHE 12 HA PHE 12 5.500 -1.508 -8.775 103 HB2 PHE 12 2HB PHE 12 3.944 -0.165 -11.039 104 HB3 PHE 12 3HB PHE 12 4.292 -1.897 -10.946 105 HD1 PHE 12 HD1 PHE 12 3.344 -3.246 -9.020 106 HD2 PHE 12 HD2 PHE 12 2.138 0.798 -9.826 107 HE1 PHE 12 HE1 PHE 12 1.302 -3.583 -7.663 108 HE2 PHE 12 HE2 PHE 12 0.095 0.458 -8.469 109 HZ PHE 12 HZ PHE 12 -0.326 -1.731 -7.385 110 HA PRO 13 HA PRO 13 9.159 -1.426 -11.224 111 HB2 PRO 13 2HB PRO 13 8.832 -3.792 -12.711 112 HB3 PRO 13 3HB PRO 13 9.336 -3.797 -11.016 113 HG2 PRO 13 2HG PRO 13 6.559 -4.183 -12.181 114 HG3 PRO 13 3HG PRO 13 7.362 -5.099 -10.899 115 HD2 PRO 13 2HD PRO 13 5.546 -3.212 -10.249 116 HD3 PRO 13 3HD PRO 13 7.008 -3.382 -9.269 117 H SER 14 H SER 14 6.018 -1.572 -12.860 118 HA SER 14 HA SER 14 7.380 -0.840 -15.368 119 HB2 SER 14 2HB SER 14 5.269 -1.477 -16.434 120 HB3 SER 14 3HB SER 14 5.898 -2.806 -15.451 121 HG SER 14 HG SER 14 3.627 -2.474 -15.145 122 H LYS 15 H LYS 15 5.395 0.417 -12.732 123 HA LYS 15 HA LYS 15 5.214 2.984 -14.004 124 HB2 LYS 15 2HB LYS 15 2.789 3.110 -14.074 125 HB3 LYS 15 3HB LYS 15 3.343 1.788 -15.109 126 HG2 LYS 15 2HG LYS 15 2.845 0.205 -13.134 127 HG3 LYS 15 3HG LYS 15 2.040 1.575 -12.357 128 HD2 LYS 15 2HD LYS 15 1.344 0.543 -15.157 129 HD3 LYS 15 3HD LYS 15 0.499 0.050 -13.684 130 HE2 LYS 15 2HE LYS 15 -0.125 2.417 -13.229 131 HE3 LYS 15 3HE LYS 15 0.756 2.938 -14.672 132 HZ1 LYS 15 3HZ LYS 15 -1.571 1.124 -14.662 133 HZ2 LYS 15 1HZ LYS 15 -1.585 2.696 -15.105 134 HZ3 LYS 15 2HZ LYS 15 -0.758 1.605 -15.994 135 H GLN 16 H GLN 16 4.145 4.607 -12.501 136 HA GLN 16 HA GLN 16 3.950 3.581 -9.748 137 HB2 GLN 16 2HB GLN 16 5.322 6.141 -10.711 138 HB3 GLN 16 3HB GLN 16 4.973 5.768 -9.018 139 HG2 GLN 16 2HG GLN 16 6.422 3.745 -9.169 140 HG3 GLN 16 3HG GLN 16 6.778 4.129 -10.859 141 HE21 GLN 16 1HE2 GLN 16 8.988 3.955 -9.610 142 HE22 GLN 16 2HE2 GLN 16 9.657 5.466 -9.091 143 H PHE 17 H PHE 17 2.496 4.839 -8.345 144 HA PHE 17 HA PHE 17 0.928 6.936 -9.521 145 HB2 PHE 17 2HB PHE 17 -0.080 4.891 -10.561 146 HB3 PHE 17 3HB PHE 17 -0.363 4.223 -8.948 147 HD1 PHE 17 HD1 PHE 17 -1.135 7.250 -11.039 148 HD2 PHE 17 HD2 PHE 17 -2.383 4.647 -7.857 149 HE1 PHE 17 HE1 PHE 17 -3.314 8.418 -10.937 150 HE2 PHE 17 HE2 PHE 17 -4.562 5.814 -7.758 151 HZ PHE 17 HZ PHE 17 -5.033 7.701 -9.299 152 H THR 18 H THR 18 -0.468 7.975 -7.925 153 HA THR 18 HA THR 18 0.298 7.178 -5.202 154 HB THR 18 HB THR 18 -0.104 9.563 -4.596 155 HG1 THR 18 HG1 THR 18 -0.377 11.086 -6.383 156 HG21 THR 18 3HG2 THR 18 1.810 9.182 -6.951 157 HG22 THR 18 1HG2 THR 18 1.867 10.520 -5.754 158 HG23 THR 18 2HG2 THR 18 2.167 8.829 -5.227 159 H VAL 19 H VAL 19 -1.342 7.282 -3.510 160 HA VAL 19 HA VAL 19 -4.078 7.474 -4.559 161 HB VAL 19 HB VAL 19 -4.701 5.572 -3.063 162 HG11 VAL 19 1HG1 VAL 19 -3.719 3.773 -4.450 163 HG12 VAL 19 2HG1 VAL 19 -4.254 5.169 -5.446 164 HG13 VAL 19 3HG1 VAL 19 -2.509 4.934 -5.092 165 HG21 VAL 19 3HG2 VAL 19 -2.869 5.769 -1.437 166 HG22 VAL 19 1HG2 VAL 19 -2.922 4.118 -2.143 167 HG23 VAL 19 2HG2 VAL 19 -1.681 5.293 -2.697 168 H GLU 20 H GLU 20 -5.734 7.888 -2.797 169 HA GLU 20 HA GLU 20 -4.478 9.422 -0.610 170 HB2 GLU 20 2HB GLU 20 -5.742 10.790 -2.238 171 HB3 GLU 20 3HB GLU 20 -7.165 9.762 -2.027 172 HG2 GLU 20 2HG GLU 20 -7.302 10.450 0.372 173 HG3 GLU 20 3HG GLU 20 -5.885 11.485 0.153 174 H VAL 21 H VAL 21 -4.787 8.667 1.445 175 HA VAL 21 HA VAL 21 -7.162 7.020 1.910 176 HB VAL 21 HB VAL 21 -5.766 5.477 3.310 177 HG11 VAL 21 1HG1 VAL 21 -4.762 4.234 1.420 178 HG12 VAL 21 2HG1 VAL 21 -6.398 4.856 1.017 179 HG13 VAL 21 3HG1 VAL 21 -4.939 5.685 0.378 180 HG21 VAL 21 3HG2 VAL 21 -3.878 6.991 3.746 181 HG22 VAL 21 1HG2 VAL 21 -3.311 5.463 2.992 182 HG23 VAL 21 2HG2 VAL 21 -3.435 6.959 2.006 183 H ASP 22 H ASP 22 -7.364 6.615 4.448 184 HA ASP 22 HA ASP 22 -6.782 9.178 5.752 185 HB2 ASP 22 2HB ASP 22 -9.137 8.140 5.624 186 HB3 ASP 22 3HB ASP 22 -8.546 6.887 6.724 187 H ARG 23 H ARG 23 -5.704 9.282 7.806 188 HA ARG 23 HA ARG 23 -3.588 7.415 7.963 189 HB2 ARG 23 2HB ARG 23 -2.707 8.742 9.667 190 HB3 ARG 23 3HB ARG 23 -3.463 9.850 8.514 191 HG2 ARG 23 2HG ARG 23 -5.488 9.934 10.033 192 HG3 ARG 23 3HG ARG 23 -4.582 8.973 11.210 193 HD2 ARG 23 2HD ARG 23 -2.852 10.731 11.285 194 HD3 ARG 23 3HD ARG 23 -3.801 11.696 10.147 195 HE ARG 23 HE ARG 23 -5.389 11.013 12.427 196 HH11 ARG 23 1HH1 ARG 23 -2.726 13.104 11.484 197 HH12 ARG 23 2HH1 ARG 23 -3.111 14.317 12.658 198 HH21 ARG 23 1HH2 ARG 23 -5.864 12.570 13.934 199 HH22 ARG 23 2HH2 ARG 23 -4.912 14.011 14.066 200 H THR 24 H THR 24 -6.801 7.573 9.458 201 HA THR 24 HA THR 24 -5.965 5.888 11.657 202 HB THR 24 HB THR 24 -8.300 6.114 12.415 203 HG1 THR 24 HG1 THR 24 -8.682 7.654 9.971 204 HG21 THR 24 3HG2 THR 24 -7.139 8.759 11.411 205 HG22 THR 24 1HG2 THR 24 -8.375 8.574 12.701 206 HG23 THR 24 2HG2 THR 24 -6.716 7.930 12.947 207 H GLU 25 H GLU 25 -6.950 5.441 8.380 208 HA GLU 25 HA GLU 25 -8.354 2.964 8.823 209 HB2 GLU 25 2HB GLU 25 -7.203 4.379 6.377 210 HB3 GLU 25 3HB GLU 25 -7.962 2.784 6.288 211 HG2 GLU 25 2HG GLU 25 -9.338 5.316 7.316 212 HG3 GLU 25 3HG GLU 25 -9.501 4.667 5.679 213 H THR 26 H THR 26 -7.549 0.834 8.061 214 HA THR 26 HA THR 26 -4.813 0.504 8.890 215 HB THR 26 HB THR 26 -5.308 -1.925 8.631 216 HG1 THR 26 HG1 THR 26 -7.546 -2.489 8.063 217 HG21 THR 26 3HG2 THR 26 -7.503 -0.357 10.071 218 HG22 THR 26 1HG2 THR 26 -7.075 -2.076 10.361 219 HG23 THR 26 2HG2 THR 26 -5.890 -0.780 10.738 220 H VAL 27 H VAL 27 -3.361 -1.065 7.543 221 HA VAL 27 HA VAL 27 -2.877 0.171 5.096 222 HB VAL 27 HB VAL 27 -1.221 -1.086 6.559 223 HG11 VAL 27 1HG1 VAL 27 -1.016 -3.529 6.215 224 HG12 VAL 27 2HG1 VAL 27 -2.580 -3.091 6.981 225 HG13 VAL 27 3HG1 VAL 27 -2.522 -3.513 5.237 226 HG21 VAL 27 3HG2 VAL 27 -0.660 -0.386 4.271 227 HG22 VAL 27 1HG2 VAL 27 0.089 -1.972 4.656 228 HG23 VAL 27 2HG2 VAL 27 -1.375 -1.898 3.619 229 H SER 28 H SER 28 -5.022 -2.522 5.972 230 HA SER 28 HA SER 28 -5.174 -3.743 3.431 231 HB2 SER 28 2HB SER 28 -7.182 -4.762 4.303 232 HB3 SER 28 3HB SER 28 -5.967 -4.719 5.587 233 HG SER 28 HG SER 28 -7.030 -2.680 6.291 234 H SER 29 H SER 29 -6.684 -0.790 4.823 235 HA SER 29 HA SER 29 -8.543 -0.457 2.687 236 HB2 SER 29 2HB SER 29 -7.291 1.480 4.686 237 HB3 SER 29 3HB SER 29 -8.600 1.898 3.572 238 HG SER 29 HG SER 29 -9.514 1.323 5.543 239 H LEU 30 H LEU 30 -5.120 0.603 3.282 240 HA LEU 30 HA LEU 30 -4.859 2.106 0.921 241 HB2 LEU 30 2HB LEU 30 -3.222 2.161 2.741 242 HB3 LEU 30 3HB LEU 30 -2.887 0.435 2.551 243 HG LEU 30 HG LEU 30 -1.958 0.891 0.254 244 HD11 LEU 30 1HD1 LEU 30 -1.485 3.229 -0.379 245 HD12 LEU 30 2HD1 LEU 30 -3.250 2.931 -0.231 246 HD13 LEU 30 3HD1 LEU 30 -2.375 3.804 1.071 247 HD21 LEU 30 3HD2 LEU 30 -0.502 0.763 2.245 248 HD22 LEU 30 1HD2 LEU 30 0.114 1.971 1.067 249 HD23 LEU 30 2HD2 LEU 30 -0.749 2.516 2.545 250 H LYS 31 H LYS 31 -4.537 -1.455 1.572 251 HA LYS 31 HA LYS 31 -3.641 -2.095 -1.028 252 HB2 LYS 31 2HB LYS 31 -5.091 -3.662 1.151 253 HB3 LYS 31 3HB LYS 31 -4.565 -4.394 -0.371 254 HG2 LYS 31 2HG LYS 31 -2.201 -3.761 0.151 255 HG3 LYS 31 3HG LYS 31 -2.734 -3.054 1.682 256 HD2 LYS 31 2HD LYS 31 -3.632 -5.277 2.399 257 HD3 LYS 31 3HD LYS 31 -3.110 -5.985 0.865 258 HE2 LYS 31 2HE LYS 31 -0.732 -5.288 1.411 259 HE3 LYS 31 3HE LYS 31 -1.298 -4.723 2.988 260 HZ1 LYS 31 3HZ LYS 31 -1.683 -7.490 2.051 261 HZ2 LYS 31 1HZ LYS 31 -0.398 -7.015 2.939 262 HZ3 LYS 31 2HZ LYS 31 -1.902 -6.916 3.564 263 H ASP 32 H ASP 32 -6.929 -1.647 0.418 264 HA ASP 32 HA ASP 32 -8.416 -2.631 -1.722 265 HB2 ASP 32 2HB ASP 32 -8.881 -0.407 0.310 266 HB3 ASP 32 3HB ASP 32 -10.099 -0.854 -0.893 267 H LYS 33 H LYS 33 -6.967 0.673 -1.180 268 HA LYS 33 HA LYS 33 -8.063 1.801 -3.514 269 HB2 LYS 33 2HB LYS 33 -5.606 2.434 -1.820 270 HB3 LYS 33 3HB LYS 33 -6.099 3.422 -3.202 271 HG2 LYS 33 2HG LYS 33 -7.872 2.851 -0.775 272 HG3 LYS 33 3HG LYS 33 -6.868 4.295 -0.962 273 HD2 LYS 33 2HD LYS 33 -8.088 4.865 -3.076 274 HD3 LYS 33 3HD LYS 33 -9.096 3.426 -2.879 275 HE2 LYS 33 2HE LYS 33 -9.928 4.301 -0.691 276 HE3 LYS 33 3HE LYS 33 -8.910 5.736 -0.874 277 HZ1 LYS 33 3HZ LYS 33 -11.091 4.954 -2.702 278 HZ2 LYS 33 1HZ LYS 33 -11.157 6.148 -1.591 279 HZ3 LYS 33 2HZ LYS 33 -10.152 6.278 -2.871 280 H ILE 34 H ILE 34 -4.946 0.035 -2.872 281 HA ILE 34 HA ILE 34 -3.888 0.428 -5.429 282 HB ILE 34 HB ILE 34 -3.522 -1.793 -3.359 283 HG12 ILE 34 2HG1 ILE 34 -1.636 0.455 -4.188 284 HG13 ILE 34 3HG1 ILE 34 -2.812 0.626 -2.878 285 HG21 ILE 34 1HG2 ILE 34 -1.506 -2.445 -4.633 286 HG22 ILE 34 2HG2 ILE 34 -3.006 -2.678 -5.592 287 HG23 ILE 34 3HG2 ILE 34 -1.942 -1.269 -5.919 288 HD11 ILE 34 3HD1 ILE 34 -0.574 -1.444 -3.005 289 HD12 ILE 34 1HD1 ILE 34 -0.594 0.047 -2.004 290 HD13 ILE 34 2HD1 ILE 34 -1.769 -1.271 -1.675 291 H HIS 35 H HIS 35 -6.146 -2.081 -4.086 292 HA HIS 35 HA HIS 35 -6.078 -3.740 -6.370 293 HB2 HIS 35 2HB HIS 35 -6.867 -4.519 -4.180 294 HB3 HIS 35 3HB HIS 35 -8.171 -3.324 -4.180 295 HD2 HIS 35 HD2 HIS 35 -10.530 -4.410 -5.015 296 HE1 HIS 35 HE1 HIS 35 -8.927 -7.565 -7.424 297 H ILE 36 H ILE 36 -8.067 -0.851 -5.459 298 HA ILE 36 HA ILE 36 -9.906 -1.102 -7.553 299 HB ILE 36 HB ILE 36 -8.861 1.288 -5.964 300 HG12 ILE 36 2HG1 ILE 36 -11.589 -0.075 -5.932 301 HG13 ILE 36 3HG1 ILE 36 -10.257 -0.565 -4.878 302 HG21 ILE 36 1HG2 ILE 36 -10.753 2.577 -6.900 303 HG22 ILE 36 2HG2 ILE 36 -9.586 2.084 -8.173 304 HG23 ILE 36 3HG2 ILE 36 -11.142 1.206 -7.993 305 HD11 ILE 36 3HD1 ILE 36 -11.533 2.206 -4.966 306 HD12 ILE 36 1HD1 ILE 36 -11.797 0.949 -3.711 307 HD13 ILE 36 2HD1 ILE 36 -10.180 1.709 -3.896 308 H VAL 37 H VAL 37 -6.635 0.467 -7.348 309 HA VAL 37 HA VAL 37 -6.858 1.647 -9.919 310 HB VAL 37 HB VAL 37 -4.478 1.047 -8.093 311 HG11 VAL 37 1HG1 VAL 37 -3.183 2.579 -9.544 312 HG12 VAL 37 2HG1 VAL 37 -3.727 1.116 -10.433 313 HG13 VAL 37 3HG1 VAL 37 -4.577 2.680 -10.672 314 HG21 VAL 37 3HG2 VAL 37 -6.074 2.700 -7.218 315 HG22 VAL 37 1HG2 VAL 37 -4.534 3.490 -7.694 316 HG23 VAL 37 2HG2 VAL 37 -5.978 3.626 -8.754 317 H GLU 38 H GLU 38 -5.583 -1.486 -8.633 318 HA GLU 38 HA GLU 38 -4.435 -2.069 -11.266 319 HB2 GLU 38 2HB GLU 38 -4.233 -3.452 -8.548 320 HB3 GLU 38 3HB GLU 38 -3.471 -4.047 -10.029 321 HG2 GLU 38 2HG GLU 38 -2.889 -1.368 -8.672 322 HG3 GLU 38 3HG GLU 38 -1.872 -2.813 -8.596 323 H ASN 39 H ASN 39 -4.614 -4.701 -11.657 324 HA ASN 39 HA ASN 39 -7.468 -5.354 -11.314 325 HB2 ASN 39 2HB ASN 39 -5.548 -6.092 -13.554 326 HB3 ASN 39 3HB ASN 39 -7.162 -6.786 -13.350 327 HD21 ASN 39 1HD2 ASN 39 -5.391 -4.442 -14.851 328 HD22 ASN 39 2HD2 ASN 39 -6.688 -3.418 -15.372 329 H THR 40 H THR 40 -5.065 -5.883 -9.474 330 HA THR 40 HA THR 40 -5.071 -8.815 -9.691 331 HB THR 40 HB THR 40 -2.948 -6.957 -8.497 332 HG1 THR 40 HG1 THR 40 -1.727 -8.125 -10.335 333 HG21 THR 40 3HG2 THR 40 -3.004 -9.996 -8.839 334 HG22 THR 40 1HG2 THR 40 -1.608 -9.029 -8.254 335 HG23 THR 40 2HG2 THR 40 -3.120 -9.102 -7.286 336 HA PRO 41 HA PRO 41 -7.294 -8.696 -5.864 337 HB2 PRO 41 2HB PRO 41 -6.749 -11.354 -5.109 338 HB3 PRO 41 3HB PRO 41 -7.983 -10.937 -6.306 339 HG2 PRO 41 2HG PRO 41 -5.111 -11.816 -6.751 340 HG3 PRO 41 3HG PRO 41 -6.577 -12.343 -7.590 341 HD2 PRO 41 2HD PRO 41 -4.960 -10.525 -8.755 342 HD3 PRO 41 3HD PRO 41 -6.713 -10.337 -8.890 343 H ILE 42 H ILE 42 -7.034 -8.436 -3.660 344 HA ILE 42 HA ILE 42 -4.508 -7.467 -3.005 345 HB ILE 42 HB ILE 42 -6.955 -8.185 -1.322 346 HG12 ILE 42 2HG1 ILE 42 -5.767 -5.483 -2.103 347 HG13 ILE 42 3HG1 ILE 42 -7.046 -6.295 -3.016 348 HG21 ILE 42 1HG2 ILE 42 -5.907 -6.908 0.517 349 HG22 ILE 42 2HG2 ILE 42 -4.957 -8.372 0.094 350 HG23 ILE 42 3HG2 ILE 42 -4.403 -6.753 -0.452 351 HD11 ILE 42 3HD1 ILE 42 -7.220 -5.421 -0.097 352 HD12 ILE 42 1HD1 ILE 42 -7.977 -4.601 -1.504 353 HD13 ILE 42 2HD1 ILE 42 -8.519 -6.245 -1.024 354 H LYS 43 H LYS 43 -6.056 -10.680 -2.469 355 HA LYS 43 HA LYS 43 -4.326 -11.541 -0.425 356 HB2 LYS 43 2HB LYS 43 -5.965 -13.026 -2.530 357 HB3 LYS 43 3HB LYS 43 -5.087 -13.838 -1.227 358 HG2 LYS 43 2HG LYS 43 -6.440 -12.608 0.464 359 HG3 LYS 43 3HG LYS 43 -7.307 -11.770 -0.830 360 HD2 LYS 43 2HD LYS 43 -8.136 -13.954 -1.707 361 HD3 LYS 43 3HD LYS 43 -7.246 -14.810 -0.442 362 HE2 LYS 43 2HE LYS 43 -8.572 -13.623 1.309 363 HE3 LYS 43 3HE LYS 43 -9.451 -12.740 0.054 364 HZ1 LYS 43 3HZ LYS 43 -9.463 -15.670 0.396 365 HZ2 LYS 43 1HZ LYS 43 -10.673 -14.655 0.808 366 HZ3 LYS 43 2HZ LYS 43 -10.274 -14.855 -0.762 367 H ARG 44 H ARG 44 -3.811 -11.088 -3.883 368 HA ARG 44 HA ARG 44 -1.530 -12.927 -3.799 369 HB2 ARG 44 2HB ARG 44 -2.862 -11.546 -6.143 370 HB3 ARG 44 3HB ARG 44 -1.454 -12.612 -6.238 371 HG2 ARG 44 2HG ARG 44 -4.178 -13.449 -5.155 372 HG3 ARG 44 3HG ARG 44 -3.651 -13.687 -6.826 373 HD2 ARG 44 2HD ARG 44 -1.799 -15.084 -6.059 374 HD3 ARG 44 3HD ARG 44 -2.283 -14.822 -4.378 375 HE ARG 44 HE ARG 44 -4.489 -15.898 -5.802 376 HH11 ARG 44 1HH1 ARG 44 -1.295 -16.876 -4.708 377 HH12 ARG 44 2HH1 ARG 44 -1.741 -18.539 -4.525 378 HH21 ARG 44 1HH2 ARG 44 -5.042 -18.033 -5.576 379 HH22 ARG 44 2HH2 ARG 44 -3.892 -19.205 -5.024 380 H MET 45 H MET 45 -2.427 -9.452 -4.241 381 HA MET 45 HA MET 45 0.078 -8.561 -5.113 382 HB2 MET 45 2HB MET 45 -2.175 -7.248 -3.530 383 HB3 MET 45 3HB MET 45 -0.746 -6.364 -4.082 384 HG2 MET 45 2HG MET 45 -1.332 -7.150 -6.459 385 HG3 MET 45 3HG MET 45 -2.869 -7.722 -5.798 386 HE1 MET 45 3HE MET 45 -3.560 -5.469 -3.565 387 HE2 MET 45 1HE MET 45 -4.604 -4.427 -4.590 388 HE3 MET 45 2HE MET 45 -4.695 -6.215 -4.740 389 H GLN 46 H GLN 46 1.995 -8.023 -4.074 390 HA GLN 46 HA GLN 46 2.000 -8.376 -1.147 391 HB2 GLN 46 2HB GLN 46 4.346 -8.454 -3.105 392 HB3 GLN 46 3HB GLN 46 4.392 -8.836 -1.378 393 HG2 GLN 46 2HG GLN 46 2.827 -10.402 -3.485 394 HG3 GLN 46 3HG GLN 46 4.410 -10.858 -2.842 395 HE21 GLN 46 1HE2 GLN 46 1.234 -11.570 -2.623 396 HE22 GLN 46 2HE2 GLN 46 1.133 -12.121 -0.983 397 H LEU 47 H LEU 47 3.070 -6.778 0.176 398 HA LEU 47 HA LEU 47 3.448 -4.209 -1.227 399 HB2 LEU 47 2HB LEU 47 1.173 -4.443 -0.145 400 HB3 LEU 47 3HB LEU 47 1.977 -4.684 1.411 401 HG LEU 47 HG LEU 47 2.659 -2.191 -0.158 402 HD11 LEU 47 1HD1 LEU 47 0.705 -1.031 0.805 403 HD12 LEU 47 2HD1 LEU 47 0.207 -2.334 -0.326 404 HD13 LEU 47 3HD1 LEU 47 0.093 -2.592 1.448 405 HD21 LEU 47 3HD2 LEU 47 3.816 -2.742 1.951 406 HD22 LEU 47 1HD2 LEU 47 2.802 -1.272 2.134 407 HD23 LEU 47 2HD2 LEU 47 2.236 -2.841 2.799 408 H TYR 48 H TYR 48 5.430 -3.336 -0.813 409 HA TYR 48 HA TYR 48 6.627 -3.979 1.808 410 HB2 TYR 48 2HB TYR 48 7.968 -5.025 0.119 411 HB3 TYR 48 3HB TYR 48 7.854 -3.627 -0.958 412 HD1 TYR 48 HD1 TYR 48 9.356 -4.857 2.230 413 HD2 TYR 48 HD2 TYR 48 9.388 -1.796 -0.780 414 HE1 TYR 48 HE1 TYR 48 11.471 -3.971 3.160 415 HE2 TYR 48 HE2 TYR 48 11.504 -0.906 0.143 416 HH TYR 48 HH TYR 48 13.077 -1.104 1.680 417 H TYR 49 H TYR 49 7.137 -2.254 3.123 418 HA TYR 49 HA TYR 49 6.788 0.417 1.941 419 HB2 TYR 49 2HB TYR 49 5.323 0.104 3.795 420 HB3 TYR 49 3HB TYR 49 6.557 -0.730 4.749 421 HD1 TYR 49 HD1 TYR 49 5.794 2.619 3.216 422 HD2 TYR 49 HD2 TYR 49 7.823 0.466 6.325 423 HE1 TYR 49 HE1 TYR 49 6.405 4.762 4.295 424 HE2 TYR 49 HE2 TYR 49 8.435 2.603 7.411 425 HH TYR 49 HH TYR 49 8.318 4.806 7.348 426 H SER 50 H SER 50 8.481 1.886 1.863 427 HA SER 50 HA SER 50 11.052 1.406 1.815 428 HB2 SER 50 2HB SER 50 10.033 3.644 1.598 429 HB3 SER 50 3HB SER 50 9.759 3.710 3.344 430 HG SER 50 HG SER 50 11.681 4.831 2.707 431 H GLY 51 H GLY 51 12.100 -0.177 3.038 432 HA2 GLY 51 2HA GLY 51 13.605 -0.377 4.812 433 HA3 GLY 51 3HA GLY 51 12.568 0.643 5.819 434 H ILE 52 H ILE 52 10.296 -0.338 6.368 435 HA ILE 52 HA ILE 52 10.819 -3.137 7.062 436 HB ILE 52 HB ILE 52 8.956 -1.048 8.303 437 HG12 ILE 52 2HG1 ILE 52 11.438 -2.407 9.449 438 HG13 ILE 52 3HG1 ILE 52 11.455 -0.813 8.684 439 HG21 ILE 52 1HG2 ILE 52 8.533 -2.752 10.047 440 HG22 ILE 52 2HG2 ILE 52 7.973 -3.297 8.430 441 HG23 ILE 52 3HG2 ILE 52 9.503 -3.941 9.115 442 HD11 ILE 52 3HD1 ILE 52 9.843 -1.585 11.158 443 HD12 ILE 52 1HD1 ILE 52 11.357 -0.619 11.128 444 HD13 ILE 52 2HD1 ILE 52 9.861 0.034 10.381 445 H GLU 53 H GLU 53 9.429 -4.778 6.372 446 HA GLU 53 HA GLU 53 7.294 -3.966 4.560 447 HB2 GLU 53 2HB GLU 53 8.941 -5.718 3.906 448 HB3 GLU 53 3HB GLU 53 8.449 -6.700 5.291 449 HG2 GLU 53 2HG GLU 53 6.149 -6.885 4.354 450 HG3 GLU 53 3HG GLU 53 6.625 -5.885 2.975 451 H LEU 54 H LEU 54 5.290 -3.578 5.411 452 HA LEU 54 HA LEU 54 4.547 -4.774 7.938 453 HB2 LEU 54 2HB LEU 54 3.969 -2.435 7.367 454 HB3 LEU 54 3HB LEU 54 3.065 -2.984 5.949 455 HG LEU 54 HG LEU 54 1.471 -4.206 7.468 456 HD11 LEU 54 1HD1 LEU 54 1.534 -3.707 9.884 457 HD12 LEU 54 2HD1 LEU 54 3.014 -4.573 9.351 458 HD13 LEU 54 3HD1 LEU 54 3.071 -2.805 9.659 459 HD21 LEU 54 3HD2 LEU 54 0.996 -1.926 6.648 460 HD22 LEU 54 1HD2 LEU 54 0.363 -2.162 8.313 461 HD23 LEU 54 2HD2 LEU 54 1.878 -1.232 8.051 462 H ALA 55 H ALA 55 3.876 -6.881 8.013 463 HA ALA 55 HA ALA 55 2.341 -7.888 5.720 464 HB1 ALA 55 3HB ALA 55 3.678 -9.303 8.079 465 HB2 ALA 55 1HB ALA 55 2.796 -10.107 6.737 466 HB3 ALA 55 2HB ALA 55 4.310 -9.200 6.401 467 H ASP 56 H ASP 56 1.666 -6.227 8.515 468 HA ASP 56 HA ASP 56 -0.513 -7.994 9.357 469 HB2 ASP 56 2HB ASP 56 1.004 -7.017 11.069 470 HB3 ASP 56 3HB ASP 56 0.590 -5.388 10.516 471 H ASP 57 H ASP 57 -2.397 -7.779 8.204 472 HA ASP 57 HA ASP 57 -2.925 -5.533 6.591 473 HB2 ASP 57 2HB ASP 57 -4.627 -7.843 7.625 474 HB3 ASP 57 3HB ASP 57 -5.269 -6.602 6.541 475 H TYR 58 H TYR 58 -3.549 -6.205 10.035 476 HA TYR 58 HA TYR 58 -5.813 -4.361 10.048 477 HB2 TYR 58 2HB TYR 58 -4.605 -6.213 12.160 478 HB3 TYR 58 3HB TYR 58 -6.004 -5.166 12.434 479 HD1 TYR 58 HD1 TYR 58 -8.134 -5.572 11.142 480 HD2 TYR 58 HD2 TYR 58 -4.828 -8.305 11.000 481 HE1 TYR 58 HE1 TYR 58 -9.634 -7.336 10.266 482 HE2 TYR 58 HE2 TYR 58 -6.320 -10.072 10.122 483 HH TYR 58 HH TYR 58 -9.821 -9.422 9.572 484 H ARG 59 H ARG 59 -2.445 -4.097 10.276 485 HA ARG 59 HA ARG 59 -2.271 -2.300 12.467 486 HB2 ARG 59 2HB ARG 59 -0.367 -3.586 11.567 487 HB3 ARG 59 3HB ARG 59 -0.431 -2.627 10.083 488 HG2 ARG 59 2HG ARG 59 1.252 -1.574 11.284 489 HG3 ARG 59 3HG ARG 59 -0.153 -0.558 11.633 490 HD2 ARG 59 2HD ARG 59 -0.470 -1.872 13.749 491 HD3 ARG 59 3HD ARG 59 1.065 -2.680 13.407 492 HE ARG 59 HE ARG 59 1.454 0.139 13.345 493 HH11 ARG 59 1HH1 ARG 59 0.765 -2.426 15.645 494 HH12 ARG 59 2HH1 ARG 59 1.564 -1.622 16.955 495 HH21 ARG 59 1HH2 ARG 59 2.462 1.163 15.035 496 HH22 ARG 59 2HH2 ARG 59 2.538 0.438 16.606 497 H ASN 60 H ASN 60 -2.700 -0.123 12.600 498 HA ASN 60 HA ASN 60 -4.014 1.094 10.369 499 HB2 ASN 60 2HB ASN 60 -3.212 2.081 13.128 500 HB3 ASN 60 3HB ASN 60 -4.033 3.097 11.936 501 HD21 ASN 60 1HD2 ASN 60 -4.462 1.151 14.536 502 HD22 ASN 60 2HD2 ASN 60 -6.149 0.808 14.351 503 H LEU 61 H LEU 61 -3.343 3.058 9.245 504 HA LEU 61 HA LEU 61 -0.663 2.820 8.399 505 HB2 LEU 61 2HB LEU 61 -2.820 4.937 7.952 506 HB3 LEU 61 3HB LEU 61 -1.249 4.957 7.138 507 HG LEU 61 HG LEU 61 -3.249 2.646 6.927 508 HD11 LEU 61 1HD1 LEU 61 -3.747 3.546 4.686 509 HD12 LEU 61 2HD1 LEU 61 -4.185 4.714 5.978 510 HD13 LEU 61 3HD1 LEU 61 -2.689 4.959 5.015 511 HD21 LEU 61 3HD2 LEU 61 -0.887 2.035 6.545 512 HD22 LEU 61 1HD2 LEU 61 -1.824 1.993 5.013 513 HD23 LEU 61 2HD2 LEU 61 -0.727 3.373 5.357 514 H ASN 62 H ASN 62 -2.358 5.316 10.458 515 HA ASN 62 HA ASN 62 -0.097 6.950 10.734 516 HB2 ASN 62 2HB ASN 62 -2.434 7.629 11.212 517 HB3 ASN 62 3HB ASN 62 -2.452 6.558 12.620 518 HD21 ASN 62 1HD2 ASN 62 -2.018 7.450 14.478 519 HD22 ASN 62 2HD2 ASN 62 -1.038 8.851 14.754 520 H GLU 63 H GLU 63 -1.300 4.111 12.658 521 HA GLU 63 HA GLU 63 0.530 4.484 14.780 522 HB2 GLU 63 2HB GLU 63 -1.054 2.086 13.752 523 HB3 GLU 63 3HB GLU 63 -0.040 2.019 15.200 524 HG2 GLU 63 2HG GLU 63 -1.423 3.985 16.114 525 HG3 GLU 63 3HG GLU 63 -2.523 3.737 14.751 526 H TYR 64 H TYR 64 0.858 3.130 11.517 527 HA TYR 64 HA TYR 64 3.202 1.584 12.285 528 HB2 TYR 64 2HB TYR 64 1.536 0.656 10.695 529 HB3 TYR 64 3HB TYR 64 1.789 2.028 9.608 530 HD1 TYR 64 HD1 TYR 64 3.921 -0.525 11.407 531 HD2 TYR 64 HD2 TYR 64 3.149 1.629 7.775 532 HE1 TYR 64 HE1 TYR 64 5.766 -1.746 10.297 533 HE2 TYR 64 HE2 TYR 64 4.994 0.414 6.659 534 HH TYR 64 HH TYR 64 6.649 -1.037 6.878 535 H GLY 65 H GLY 65 2.391 4.801 11.091 536 HA2 GLY 65 2HA GLY 65 4.045 6.467 11.185 537 HA3 GLY 65 3HA GLY 65 5.283 5.267 10.793 538 H ILE 66 H ILE 66 2.186 5.298 8.990 539 HA ILE 66 HA ILE 66 3.653 5.947 6.595 540 HB ILE 66 HB ILE 66 0.697 5.324 7.088 541 HG12 ILE 66 2HG1 ILE 66 2.176 3.435 7.601 542 HG13 ILE 66 3HG1 ILE 66 1.228 3.122 6.142 543 HG21 ILE 66 1HG2 ILE 66 0.573 5.002 4.638 544 HG22 ILE 66 2HG2 ILE 66 1.008 6.690 5.069 545 HG23 ILE 66 3HG2 ILE 66 2.274 5.558 4.484 546 HD11 ILE 66 3HD1 ILE 66 4.141 4.027 6.214 547 HD12 ILE 66 1HD1 ILE 66 3.546 2.368 5.868 548 HD13 ILE 66 2HD1 ILE 66 3.178 3.709 4.732 549 H THR 67 H THR 67 3.809 7.993 5.708 550 HA THR 67 HA THR 67 2.031 10.015 6.885 551 HB THR 67 HB THR 67 3.832 11.633 6.563 552 HG1 THR 67 HG1 THR 67 5.535 11.221 5.288 553 HG21 THR 67 3HG2 THR 67 4.891 9.055 7.825 554 HG22 THR 67 1HG2 THR 67 5.546 10.706 8.095 555 HG23 THR 67 2HG2 THR 67 3.884 10.299 8.640 556 H GLU 68 H GLU 68 2.585 12.169 5.146 557 HA GLU 68 HA GLU 68 1.121 11.353 2.807 558 HB2 GLU 68 2HB GLU 68 2.325 13.997 3.748 559 HB3 GLU 68 3HB GLU 68 1.431 13.817 2.233 560 HG2 GLU 68 2HG GLU 68 -0.600 13.158 3.452 561 HG3 GLU 68 3HG GLU 68 0.276 13.165 4.988 562 H PHE 69 H PHE 69 4.400 11.112 3.643 563 HA PHE 69 HA PHE 69 5.200 11.495 0.827 564 HB2 PHE 69 2HB PHE 69 6.855 11.587 3.397 565 HB3 PHE 69 3HB PHE 69 7.512 11.712 1.759 566 HD1 PHE 69 HD1 PHE 69 6.755 13.668 0.290 567 HD2 PHE 69 HD2 PHE 69 6.003 13.487 4.516 568 HE1 PHE 69 HE1 PHE 69 6.391 16.116 0.330 569 HE2 PHE 69 HE2 PHE 69 5.635 15.936 4.554 570 HZ PHE 69 HZ PHE 69 5.827 17.254 2.462 571 H SER 70 H SER 70 3.988 9.086 2.581 572 HA SER 70 HA SER 70 6.002 7.218 3.001 573 HB2 SER 70 2HB SER 70 3.731 7.033 3.904 574 HB3 SER 70 3HB SER 70 3.058 6.883 2.276 575 HG SER 70 HG SER 70 3.282 4.807 2.678 576 H GLU 71 H GLU 71 7.260 5.972 1.670 577 HA GLU 71 HA GLU 71 6.374 5.738 -1.133 578 HB2 GLU 71 2HB GLU 71 9.130 5.509 0.169 579 HB3 GLU 71 3HB GLU 71 8.799 5.124 -1.525 580 HG2 GLU 71 2HG GLU 71 8.025 7.488 -1.886 581 HG3 GLU 71 3HG GLU 71 8.429 7.859 -0.205 582 H ILE 72 H ILE 72 5.362 3.814 -1.557 583 HA ILE 72 HA ILE 72 6.365 1.474 -0.088 584 HB ILE 72 HB ILE 72 3.500 2.267 -0.794 585 HG12 ILE 72 2HG1 ILE 72 4.863 1.526 1.839 586 HG13 ILE 72 3HG1 ILE 72 4.473 3.169 1.313 587 HG21 ILE 72 1HG2 ILE 72 2.818 0.055 0.075 588 HG22 ILE 72 2HG2 ILE 72 3.837 -0.090 -1.397 589 HG23 ILE 72 3HG2 ILE 72 4.545 -0.416 0.221 590 HD11 ILE 72 3HD1 ILE 72 2.455 0.940 1.837 591 HD12 ILE 72 1HD1 ILE 72 2.809 2.335 2.912 592 HD13 ILE 72 2HD1 ILE 72 2.060 2.608 1.303 593 H VAL 73 H VAL 73 7.030 -0.220 -1.388 594 HA VAL 73 HA VAL 73 6.418 0.026 -4.234 595 HB VAL 73 HB VAL 73 8.461 -1.696 -2.737 596 HG11 VAL 73 1HG1 VAL 73 9.389 -2.163 -4.985 597 HG12 VAL 73 2HG1 VAL 73 7.706 -2.767 -4.817 598 HG13 VAL 73 3HG1 VAL 73 8.030 -1.254 -5.729 599 HG21 VAL 73 3HG2 VAL 73 8.990 0.703 -2.659 600 HG22 VAL 73 1HG2 VAL 73 10.128 -0.167 -3.742 601 HG23 VAL 73 2HG2 VAL 73 8.797 0.817 -4.441 602 H VAL 74 H VAL 74 5.048 -1.424 -5.273 603 HA VAL 74 HA VAL 74 4.049 -3.598 -3.561 604 HB VAL 74 HB VAL 74 2.555 -1.882 -5.608 605 HG11 VAL 74 1HG1 VAL 74 0.548 -3.128 -4.873 606 HG12 VAL 74 2HG1 VAL 74 1.767 -4.209 -5.629 607 HG13 VAL 74 3HG1 VAL 74 1.581 -4.176 -3.843 608 HG21 VAL 74 3HG2 VAL 74 3.001 -0.704 -3.499 609 HG22 VAL 74 1HG2 VAL 74 1.258 -1.111 -3.647 610 HG23 VAL 74 2HG2 VAL 74 2.318 -2.082 -2.571 611 H PHE 75 H PHE 75 3.942 -5.670 -4.466 612 HA PHE 75 HA PHE 75 4.956 -5.844 -7.232 613 HB2 PHE 75 2HB PHE 75 5.232 -7.781 -4.882 614 HB3 PHE 75 3HB PHE 75 5.839 -8.065 -6.519 615 HD1 PHE 75 HD1 PHE 75 7.755 -6.783 -7.394 616 HD2 PHE 75 HD2 PHE 75 6.347 -6.238 -3.372 617 HE1 PHE 75 HE1 PHE 75 9.872 -5.642 -6.807 618 HE2 PHE 75 HE2 PHE 75 8.463 -5.093 -2.788 619 HZ PHE 75 HZ PHE 75 10.230 -4.796 -4.502 620 H LEU 76 H LEU 76 3.894 -7.191 -8.724 621 HA LEU 76 HA LEU 76 1.239 -8.080 -7.806 622 HB2 LEU 76 2HB LEU 76 2.306 -7.397 -10.589 623 HB3 LEU 76 3HB LEU 76 0.661 -7.936 -10.229 624 HG LEU 76 HG LEU 76 1.930 -5.346 -9.193 625 HD11 LEU 76 1HD1 LEU 76 0.381 -4.245 -10.766 626 HD12 LEU 76 2HD1 LEU 76 1.542 -5.313 -11.624 627 HD13 LEU 76 3HD1 LEU 76 -0.152 -5.850 -11.369 628 HD21 LEU 76 3HD2 LEU 76 0.251 -6.307 -7.658 629 HD22 LEU 76 1HD2 LEU 76 -0.375 -4.827 -8.461 630 HD23 LEU 76 2HD2 LEU 76 -0.916 -6.448 -9.016 631 H LYS 77 H LYS 77 0.659 -10.228 -7.903 632 HA LYS 77 HA LYS 77 2.662 -12.074 -8.974 633 HB2 LYS 77 2HB LYS 77 0.132 -12.497 -7.314 634 HB3 LYS 77 3HB LYS 77 1.224 -13.785 -7.841 635 HG2 LYS 77 2HG LYS 77 2.010 -11.452 -6.025 636 HG3 LYS 77 3HG LYS 77 1.598 -13.080 -5.471 637 HD2 LYS 77 2HD LYS 77 3.478 -13.975 -6.952 638 HD3 LYS 77 3HD LYS 77 3.940 -12.301 -7.284 639 HE2 LYS 77 2HE LYS 77 4.221 -11.911 -4.812 640 HE3 LYS 77 3HE LYS 77 3.818 -13.607 -4.515 641 HZ1 LYS 77 3HZ LYS 77 6.112 -12.659 -6.111 642 HZ2 LYS 77 1HZ LYS 77 6.185 -13.263 -4.595 643 HZ3 LYS 77 2HZ LYS 77 5.739 -14.225 -5.837 644 H SER 78 H SER 78 2.033 -13.827 -10.448 645 HA SER 78 HA SER 78 0.392 -12.955 -12.563 646 HB2 SER 78 2HB SER 78 2.267 -14.527 -12.822 647 HB3 SER 78 3HB SER 78 1.452 -15.714 -11.796 648 HG SER 78 HG SER 78 1.161 -16.145 -14.051 649 H ILE 79 H ILE 79 -1.800 -12.966 -12.801 650 HA ILE 79 HA ILE 79 -3.292 -14.927 -11.218 651 HB ILE 79 HB ILE 79 -5.016 -13.077 -10.822 652 HG12 ILE 79 2HG1 ILE 79 -3.640 -10.764 -10.693 653 HG13 ILE 79 3HG1 ILE 79 -2.758 -11.500 -12.037 654 HG21 ILE 79 1HG2 ILE 79 -3.820 -12.165 -8.860 655 HG22 ILE 79 2HG2 ILE 79 -3.563 -13.933 -9.037 656 HG23 ILE 79 3HG2 ILE 79 -2.270 -12.784 -9.521 657 HD11 ILE 79 3HD1 ILE 79 -5.774 -11.055 -11.916 658 HD12 ILE 79 1HD1 ILE 79 -4.588 -10.083 -12.851 659 HD13 ILE 79 2HD1 ILE 79 -4.878 -11.803 -13.282 660 H ASN 80 H ASN 80 -5.870 -14.439 -11.968 661 HA ASN 80 HA ASN 80 -5.702 -14.630 -14.904 662 HB2 ASN 80 2HB ASN 80 -6.123 -16.797 -13.794 663 HB3 ASN 80 3HB ASN 80 -7.539 -16.113 -12.985 664 HD21 ASN 80 1HD2 ASN 80 -7.585 -18.360 -14.627 665 HD22 ASN 80 2HD2 ASN 80 -8.623 -18.006 -15.968 666 H ARG 81 H ARG 81 -6.491 -12.688 -15.686 667 HA ARG 81 HA ARG 81 -8.926 -11.668 -14.381 668 HB2 ARG 81 2HB ARG 81 -8.327 -9.472 -15.252 669 HB3 ARG 81 3HB ARG 81 -7.129 -10.117 -14.122 670 HG2 ARG 81 2HG ARG 81 -5.694 -10.786 -16.054 671 HG3 ARG 81 3HG ARG 81 -6.882 -10.088 -17.162 672 HD2 ARG 81 2HD ARG 81 -6.553 -7.886 -16.117 673 HD3 ARG 81 3HD ARG 81 -5.350 -8.589 -15.027 674 HE ARG 81 HE ARG 81 -3.804 -8.593 -16.747 675 HH11 ARG 81 1HH1 ARG 81 -6.981 -7.957 -18.109 676 HH12 ARG 81 2HH1 ARG 81 -6.350 -7.466 -19.645 677 HH21 ARG 81 1HH2 ARG 81 -3.011 -7.971 -18.725 678 HH22 ARG 81 2HH2 ARG 81 -4.071 -7.474 -20.001 679 H ALA 82 H ALA 82 -9.096 -13.828 -16.291 680 HA ALA 82 HA ALA 82 -9.660 -12.789 -18.876 681 HB1 ALA 82 3HB ALA 82 -10.545 -15.350 -17.460 682 HB2 ALA 82 1HB ALA 82 -10.705 -15.015 -19.217 683 HB3 ALA 82 2HB ALA 82 -9.076 -15.147 -18.473 684 H LYS 83 H LYS 83 -11.733 -12.463 -19.904 685 HA LYS 83 HA LYS 83 -13.784 -11.623 -20.017 686 HB2 LYS 83 2HB LYS 83 -14.272 -13.457 -17.621 687 HB3 LYS 83 3HB LYS 83 -15.528 -12.724 -18.627 688 HG2 LYS 83 2HG LYS 83 -14.645 -13.976 -20.613 689 HG3 LYS 83 3HG LYS 83 -13.426 -14.733 -19.579 690 HD2 LYS 83 2HD LYS 83 -15.281 -15.664 -18.134 691 HD3 LYS 83 3HD LYS 83 -16.465 -14.972 -19.252 692 HE2 LYS 83 2HE LYS 83 -15.529 -16.328 -21.115 693 HE3 LYS 83 3HE LYS 83 -14.296 -16.989 -20.034 694 HZ1 LYS 83 3HZ LYS 83 -17.207 -17.349 -19.715 695 HZ2 LYS 83 1HZ LYS 83 -16.159 -18.474 -20.264 696 HZ3 LYS 83 2HZ LYS 83 -16.068 -17.960 -18.717 697 H ASP 84 H ASP 84 -11.885 -10.012 -18.514 698 HA ASP 84 HA ASP 84 -13.776 -8.744 -16.633 699 HB2 ASP 84 2HB ASP 84 -10.742 -9.018 -16.573 700 HB3 ASP 84 3HB ASP 84 -11.588 -7.764 -15.656 Start of MODEL 2 1 H ALA 1 1H ALA 1 -10.372 21.835 2.772 2 HA ALA 1 HA ALA 1 -8.374 21.532 4.002 3 HB1 ALA 1 3HB ALA 1 -10.945 20.817 5.495 4 HB2 ALA 1 1HB ALA 1 -9.429 21.420 6.246 5 HB3 ALA 1 2HB ALA 1 -10.354 22.472 5.122 6 H ALA 2 H ALA 2 -6.778 20.072 4.430 7 HA ALA 2 HA ALA 2 -7.498 17.251 4.489 8 HB1 ALA 2 3HB ALA 2 -4.813 18.711 4.541 9 HB2 ALA 2 1HB ALA 2 -5.038 16.933 4.429 10 HB3 ALA 2 2HB ALA 2 -5.609 17.996 3.099 11 H VAL 3 H VAL 3 -8.178 16.424 6.430 12 HA VAL 3 HA VAL 3 -6.605 17.235 8.777 13 HB VAL 3 HB VAL 3 -9.608 16.654 8.633 14 HG11 VAL 3 1HG1 VAL 3 -9.616 17.241 11.040 15 HG12 VAL 3 2HG1 VAL 3 -8.605 15.794 10.708 16 HG13 VAL 3 3HG1 VAL 3 -7.826 17.384 11.005 17 HG21 VAL 3 3HG2 VAL 3 -9.020 18.874 7.759 18 HG22 VAL 3 1HG2 VAL 3 -9.855 19.012 9.343 19 HG23 VAL 3 2HG2 VAL 3 -8.074 19.223 9.245 20 H ARG 4 H ARG 4 -5.343 15.451 9.263 21 HA ARG 4 HA ARG 4 -4.753 13.374 9.712 22 HB2 ARG 4 2HB ARG 4 -7.715 12.822 10.032 23 HB3 ARG 4 3HB ARG 4 -6.398 11.746 10.517 24 HG2 ARG 4 2HG ARG 4 -5.591 13.407 12.139 25 HG3 ARG 4 3HG ARG 4 -6.824 14.560 11.611 26 HD2 ARG 4 2HD ARG 4 -8.565 12.900 12.309 27 HD3 ARG 4 3HD ARG 4 -7.269 11.903 12.982 28 HE ARG 4 HE ARG 4 -7.030 14.493 14.082 29 HH11 ARG 4 1HH1 ARG 4 -9.303 11.813 14.144 30 HH12 ARG 4 2HH1 ARG 4 -9.847 12.162 15.751 31 HH21 ARG 4 1HH2 ARG 4 -7.745 14.935 16.136 32 HH22 ARG 4 2HH2 ARG 4 -8.954 13.954 16.895 33 H LYS 5 H LYS 5 -5.541 14.297 6.868 34 HA LYS 5 HA LYS 5 -5.869 11.599 5.732 35 HB2 LYS 5 2HB LYS 5 -6.170 14.386 4.516 36 HB3 LYS 5 3HB LYS 5 -6.279 12.877 3.600 37 HG2 LYS 5 2HG LYS 5 -8.242 12.178 4.960 38 HG3 LYS 5 3HG LYS 5 -8.124 13.665 5.910 39 HD2 LYS 5 2HD LYS 5 -8.464 15.015 3.820 40 HD3 LYS 5 3HD LYS 5 -8.605 13.521 2.885 41 HE2 LYS 5 2HE LYS 5 -10.566 12.838 4.301 42 HE3 LYS 5 3HE LYS 5 -10.436 14.358 5.195 43 HZ1 LYS 5 3HZ LYS 5 -10.959 14.127 2.300 44 HZ2 LYS 5 1HZ LYS 5 -12.063 14.498 3.444 45 HZ3 LYS 5 2HZ LYS 5 -10.839 15.531 3.125 46 H ILE 6 H ILE 6 -4.314 10.768 4.249 47 HA ILE 6 HA ILE 6 -1.930 12.426 3.890 48 HB ILE 6 HB ILE 6 -0.507 10.407 4.335 49 HG12 ILE 6 2HG1 ILE 6 -3.096 9.216 5.439 50 HG13 ILE 6 3HG1 ILE 6 -2.328 8.730 3.922 51 HG21 ILE 6 1HG2 ILE 6 -0.692 10.489 6.800 52 HG22 ILE 6 2HG2 ILE 6 -0.821 12.123 6.066 53 HG23 ILE 6 3HG2 ILE 6 -2.296 11.281 6.650 54 HD11 ILE 6 3HD1 ILE 6 -1.087 8.502 6.701 55 HD12 ILE 6 1HD1 ILE 6 -1.785 7.162 5.730 56 HD13 ILE 6 2HD1 ILE 6 -0.307 8.009 5.160 57 H HIS 7 H HIS 7 -0.681 11.885 1.955 58 HA HIS 7 HA HIS 7 -2.114 10.111 0.104 59 HB2 HIS 7 2HB HIS 7 0.047 12.233 -0.309 60 HB3 HIS 7 3HB HIS 7 -0.551 11.172 -1.591 61 HD2 HIS 7 HD2 HIS 7 -1.579 14.422 0.277 62 HE1 HIS 7 HE1 HIS 7 -4.742 13.410 -2.424 63 H VAL 8 H VAL 8 -1.027 8.359 -0.957 64 HA VAL 8 HA VAL 8 1.633 7.772 0.144 65 HB VAL 8 HB VAL 8 -0.634 5.804 -0.461 66 HG11 VAL 8 1HG1 VAL 8 0.910 4.086 0.427 67 HG12 VAL 8 2HG1 VAL 8 1.564 4.876 -1.047 68 HG13 VAL 8 3HG1 VAL 8 2.201 5.327 0.571 69 HG21 VAL 8 3HG2 VAL 8 -0.975 7.048 1.633 70 HG22 VAL 8 1HG2 VAL 8 -0.550 5.335 1.969 71 HG23 VAL 8 2HG2 VAL 8 0.685 6.623 2.170 72 H THR 9 H THR 9 3.208 7.268 -1.387 73 HA THR 9 HA THR 9 2.357 7.360 -4.154 74 HB THR 9 HB THR 9 5.126 7.263 -2.846 75 HG1 THR 9 HG1 THR 9 5.146 9.511 -3.573 76 HG21 THR 9 3HG2 THR 9 4.317 7.709 -5.762 77 HG22 THR 9 1HG2 THR 9 5.978 7.858 -5.096 78 HG23 THR 9 2HG2 THR 9 5.153 6.262 -5.103 79 H VAL 10 H VAL 10 1.984 5.513 -5.345 80 HA VAL 10 HA VAL 10 2.894 3.004 -4.163 81 HB VAL 10 HB VAL 10 0.910 3.535 -6.434 82 HG11 VAL 10 1HG1 VAL 10 0.225 1.187 -6.051 83 HG12 VAL 10 2HG1 VAL 10 1.946 1.308 -6.549 84 HG13 VAL 10 3HG1 VAL 10 1.528 1.011 -4.828 85 HG21 VAL 10 3HG2 VAL 10 0.110 4.460 -4.301 86 HG22 VAL 10 1HG2 VAL 10 -0.832 3.000 -4.757 87 HG23 VAL 10 2HG2 VAL 10 0.433 2.892 -3.486 88 H LYS 11 H LYS 11 4.764 2.098 -4.962 89 HA LYS 11 HA LYS 11 5.592 2.940 -7.658 90 HB2 LYS 11 2HB LYS 11 7.162 1.851 -5.273 91 HB3 LYS 11 3HB LYS 11 7.860 2.184 -6.863 92 HG2 LYS 11 2HG LYS 11 7.221 4.595 -6.626 93 HG3 LYS 11 3HG LYS 11 6.558 4.252 -5.022 94 HD2 LYS 11 2HD LYS 11 8.802 3.464 -4.255 95 HD3 LYS 11 3HD LYS 11 9.469 3.781 -5.862 96 HE2 LYS 11 2HE LYS 11 8.790 6.208 -5.617 97 HE3 LYS 11 3HE LYS 11 8.246 5.858 -3.971 98 HZ1 LYS 11 3HZ LYS 11 10.981 5.812 -5.022 99 HZ2 LYS 11 1HZ LYS 11 10.396 6.608 -3.722 100 HZ3 LYS 11 2HZ LYS 11 10.609 4.990 -3.661 101 H PHE 12 H PHE 12 5.160 1.433 -9.252 102 HA PHE 12 HA PHE 12 5.741 -1.370 -8.559 103 HB2 PHE 12 2HB PHE 12 4.400 -0.111 -11.003 104 HB3 PHE 12 3HB PHE 12 4.714 -1.839 -10.797 105 HD1 PHE 12 HD1 PHE 12 3.474 -3.152 -9.104 106 HD2 PHE 12 HD2 PHE 12 2.606 0.997 -9.807 107 HE1 PHE 12 HE1 PHE 12 1.311 -3.405 -7.929 108 HE2 PHE 12 HE2 PHE 12 0.447 0.743 -8.624 109 HZ PHE 12 HZ PHE 12 -0.205 -1.455 -7.681 110 HA PRO 13 HA PRO 13 9.585 -1.560 -10.618 111 HB2 PRO 13 2HB PRO 13 8.356 -3.614 -12.525 112 HB3 PRO 13 3HB PRO 13 9.833 -3.757 -11.562 113 HG2 PRO 13 2HG PRO 13 7.640 -5.035 -10.762 114 HG3 PRO 13 3HG PRO 13 8.644 -4.217 -9.559 115 HD2 PRO 13 2HD PRO 13 5.992 -3.336 -10.744 116 HD3 PRO 13 3HD PRO 13 6.583 -3.161 -9.086 117 H SER 14 H SER 14 6.741 -1.193 -12.781 118 HA SER 14 HA SER 14 8.604 -0.005 -14.745 119 HB2 SER 14 2HB SER 14 7.163 -0.939 -16.495 120 HB3 SER 14 3HB SER 14 7.829 -2.222 -15.476 121 HG SER 14 HG SER 14 5.572 -2.510 -15.901 122 H LYS 15 H LYS 15 6.138 0.655 -12.533 123 HA LYS 15 HA LYS 15 5.306 3.024 -13.940 124 HB2 LYS 15 2HB LYS 15 2.936 2.474 -14.008 125 HB3 LYS 15 3HB LYS 15 3.849 1.312 -14.980 126 HG2 LYS 15 2HG LYS 15 3.744 -0.322 -13.065 127 HG3 LYS 15 3HG LYS 15 2.759 0.835 -12.161 128 HD2 LYS 15 2HD LYS 15 1.071 0.815 -14.045 129 HD3 LYS 15 3HD LYS 15 2.039 -0.418 -14.865 130 HE2 LYS 15 2HE LYS 15 1.764 -1.956 -12.936 131 HE3 LYS 15 3HE LYS 15 0.865 -0.717 -12.051 132 HZ1 LYS 15 3HZ LYS 15 0.030 -2.211 -14.427 133 HZ2 LYS 15 1HZ LYS 15 -0.758 -2.009 -13.011 134 HZ3 LYS 15 2HZ LYS 15 -0.668 -0.777 -14.079 135 H GLN 16 H GLN 16 3.794 4.365 -12.535 136 HA GLN 16 HA GLN 16 3.789 3.514 -9.734 137 HB2 GLN 16 2HB GLN 16 4.940 6.150 -10.777 138 HB3 GLN 16 3HB GLN 16 4.592 5.807 -9.077 139 HG2 GLN 16 2HG GLN 16 6.218 3.896 -9.159 140 HG3 GLN 16 3HG GLN 16 6.596 4.316 -10.835 141 HE21 GLN 16 1HE2 GLN 16 8.756 4.342 -9.465 142 HE22 GLN 16 2HE2 GLN 16 9.261 5.914 -8.940 143 H PHE 17 H PHE 17 2.108 4.540 -8.466 144 HA PHE 17 HA PHE 17 0.483 6.530 -9.884 145 HB2 PHE 17 2HB PHE 17 -0.592 4.038 -8.475 146 HB3 PHE 17 3HB PHE 17 -1.578 5.380 -9.069 147 HD1 PHE 17 HD1 PHE 17 -1.733 5.822 -11.532 148 HD2 PHE 17 HD2 PHE 17 0.237 2.344 -9.957 149 HE1 PHE 17 HE1 PHE 17 -1.881 4.732 -13.749 150 HE2 PHE 17 HE2 PHE 17 0.093 1.259 -12.176 151 HZ PHE 17 HZ PHE 17 -0.968 2.446 -14.074 152 H THR 18 H THR 18 -0.787 7.908 -8.415 153 HA THR 18 HA THR 18 0.196 7.761 -5.657 154 HB THR 18 HB THR 18 -1.124 10.052 -7.206 155 HG1 THR 18 HG1 THR 18 1.028 10.993 -6.946 156 HG21 THR 18 3HG2 THR 18 0.018 9.956 -4.371 157 HG22 THR 18 1HG2 THR 18 -0.576 11.424 -5.218 158 HG23 THR 18 2HG2 THR 18 -1.717 10.098 -4.811 159 H VAL 19 H VAL 19 -1.256 7.479 -3.928 160 HA VAL 19 HA VAL 19 -4.102 7.486 -4.653 161 HB VAL 19 HB VAL 19 -4.428 5.589 -3.069 162 HG11 VAL 19 1HG1 VAL 19 -3.461 3.820 -4.506 163 HG12 VAL 19 2HG1 VAL 19 -4.188 5.146 -5.475 164 HG13 VAL 19 3HG1 VAL 19 -2.405 5.042 -5.291 165 HG21 VAL 19 3HG2 VAL 19 -2.462 5.961 -1.641 166 HG22 VAL 19 1HG2 VAL 19 -2.467 4.290 -2.298 167 HG23 VAL 19 2HG2 VAL 19 -1.374 5.529 -3.003 168 H GLU 20 H GLU 20 -5.572 7.869 -2.739 169 HA GLU 20 HA GLU 20 -4.163 9.424 -0.658 170 HB2 GLU 20 2HB GLU 20 -5.455 10.850 -2.212 171 HB3 GLU 20 3HB GLU 20 -6.901 9.869 -1.943 172 HG2 GLU 20 2HG GLU 20 -6.907 10.539 0.463 173 HG3 GLU 20 3HG GLU 20 -5.461 11.521 0.193 174 H VAL 21 H VAL 21 -4.496 8.786 1.445 175 HA VAL 21 HA VAL 21 -6.809 7.063 1.948 176 HB VAL 21 HB VAL 21 -5.375 5.581 3.348 177 HG11 VAL 21 1HG1 VAL 21 -4.248 4.396 1.488 178 HG12 VAL 21 2HG1 VAL 21 -5.897 4.942 1.031 179 HG13 VAL 21 3HG1 VAL 21 -4.458 5.843 0.446 180 HG21 VAL 21 3HG2 VAL 21 -3.578 7.177 3.856 181 HG22 VAL 21 1HG2 VAL 21 -2.914 5.681 3.115 182 HG23 VAL 21 2HG2 VAL 21 -3.073 7.176 2.132 183 H ASP 22 H ASP 22 -7.008 6.708 4.488 184 HA ASP 22 HA ASP 22 -6.619 9.331 5.721 185 HB2 ASP 22 2HB ASP 22 -8.848 8.025 5.676 186 HB3 ASP 22 3HB ASP 22 -8.099 6.899 6.816 187 H ARG 23 H ARG 23 -5.514 9.625 7.732 188 HA ARG 23 HA ARG 23 -3.228 7.990 7.973 189 HB2 ARG 23 2HB ARG 23 -3.203 10.368 8.470 190 HB3 ARG 23 3HB ARG 23 -4.332 10.131 9.810 191 HG2 ARG 23 2HG ARG 23 -2.683 8.788 11.024 192 HG3 ARG 23 3HG ARG 23 -1.564 8.864 9.657 193 HD2 ARG 23 2HD ARG 23 -1.290 11.235 9.928 194 HD3 ARG 23 3HD ARG 23 -2.557 11.290 11.160 195 HE ARG 23 HE ARG 23 -0.512 9.499 12.001 196 HH11 ARG 23 1HH1 ARG 23 -1.027 12.938 11.493 197 HH12 ARG 23 2HH1 ARG 23 0.094 13.405 12.728 198 HH21 ARG 23 1HH2 ARG 23 0.932 10.113 13.570 199 HH22 ARG 23 2HH2 ARG 23 1.220 11.784 13.920 200 H THR 24 H THR 24 -6.430 7.975 9.595 201 HA THR 24 HA THR 24 -5.367 6.371 11.761 202 HB THR 24 HB THR 24 -7.636 6.558 12.704 203 HG1 THR 24 HG1 THR 24 -8.238 7.987 10.238 204 HG21 THR 24 3HG2 THR 24 -6.625 9.207 11.557 205 HG22 THR 24 1HG2 THR 24 -7.747 9.022 12.948 206 HG23 THR 24 2HG2 THR 24 -6.058 8.421 13.069 207 H GLU 25 H GLU 25 -6.485 5.782 8.585 208 HA GLU 25 HA GLU 25 -8.009 3.413 9.166 209 HB2 GLU 25 2HB GLU 25 -6.917 4.778 6.684 210 HB3 GLU 25 3HB GLU 25 -7.550 3.129 6.589 211 HG2 GLU 25 2HG GLU 25 -9.158 5.465 7.723 212 HG3 GLU 25 3HG GLU 25 -9.186 5.010 6.014 213 H THR 26 H THR 26 -7.360 1.207 8.439 214 HA THR 26 HA THR 26 -4.608 0.744 9.175 215 HB THR 26 HB THR 26 -5.265 -1.660 9.071 216 HG1 THR 26 HG1 THR 26 -7.632 -2.034 8.724 217 HG21 THR 26 3HG2 THR 26 -7.266 0.117 10.551 218 HG22 THR 26 1HG2 THR 26 -6.928 -1.611 10.906 219 HG23 THR 26 2HG2 THR 26 -5.645 -0.377 11.145 220 H VAL 27 H VAL 27 -3.457 -1.138 7.819 221 HA VAL 27 HA VAL 27 -2.924 -0.060 5.309 222 HB VAL 27 HB VAL 27 -2.350 -2.791 6.556 223 HG11 VAL 27 1HG1 VAL 27 -0.727 -3.144 4.721 224 HG12 VAL 27 2HG1 VAL 27 -2.414 -3.047 4.113 225 HG13 VAL 27 3HG1 VAL 27 -1.309 -1.643 3.924 226 HG21 VAL 27 3HG2 VAL 27 -1.241 -0.866 7.607 227 HG22 VAL 27 1HG2 VAL 27 -0.052 -1.889 6.732 228 HG23 VAL 27 2HG2 VAL 27 -0.609 -0.341 6.010 229 H SER 28 H SER 28 -5.330 -2.483 6.386 230 HA SER 28 HA SER 28 -5.656 -3.867 3.981 231 HB2 SER 28 2HB SER 28 -7.737 -4.607 4.934 232 HB3 SER 28 3HB SER 28 -6.538 -4.515 6.231 233 HG SER 28 HG SER 28 -7.436 -2.532 6.911 234 H SER 29 H SER 29 -6.869 -0.651 5.038 235 HA SER 29 HA SER 29 -8.682 -0.366 2.850 236 HB2 SER 29 2HB SER 29 -7.275 1.611 4.696 237 HB3 SER 29 3HB SER 29 -8.480 2.075 3.487 238 HG SER 29 HG SER 29 -9.165 1.607 5.805 239 H LEU 30 H LEU 30 -5.182 0.421 3.403 240 HA LEU 30 HA LEU 30 -4.865 1.912 1.030 241 HB2 LEU 30 2HB LEU 30 -3.268 2.019 2.868 242 HB3 LEU 30 3HB LEU 30 -2.948 0.283 2.764 243 HG LEU 30 HG LEU 30 -1.925 0.612 0.500 244 HD11 LEU 30 1HD1 LEU 30 -1.443 2.908 -0.270 245 HD12 LEU 30 2HD1 LEU 30 -3.210 2.605 -0.168 246 HD13 LEU 30 3HD1 LEU 30 -2.390 3.570 1.105 247 HD21 LEU 30 3HD2 LEU 30 -0.542 0.628 2.543 248 HD22 LEU 30 1HD2 LEU 30 0.108 1.761 1.311 249 HD23 LEU 30 2HD2 LEU 30 -0.810 2.395 2.718 250 H LYS 31 H LYS 31 -4.408 -1.635 1.757 251 HA LYS 31 HA LYS 31 -3.343 -2.178 -0.815 252 HB2 LYS 31 2HB LYS 31 -3.402 -4.454 -0.131 253 HB3 LYS 31 3HB LYS 31 -3.020 -3.520 1.321 254 HG2 LYS 31 2HG LYS 31 -5.404 -3.684 2.051 255 HG3 LYS 31 3HG LYS 31 -5.781 -4.625 0.602 256 HD2 LYS 31 2HD LYS 31 -4.047 -6.331 1.319 257 HD3 LYS 31 3HD LYS 31 -3.811 -5.414 2.812 258 HE2 LYS 31 2HE LYS 31 -6.214 -5.715 3.395 259 HE3 LYS 31 3HE LYS 31 -6.482 -6.595 1.885 260 HZ1 LYS 31 3HZ LYS 31 -4.785 -7.436 4.140 261 HZ2 LYS 31 1HZ LYS 31 -6.147 -8.155 3.597 262 HZ3 LYS 31 2HZ LYS 31 -4.786 -8.197 2.696 263 H ASP 32 H ASP 32 -6.678 -2.242 0.599 264 HA ASP 32 HA ASP 32 -7.960 -3.500 -1.531 265 HB2 ASP 32 2HB ASP 32 -8.958 -2.946 0.693 266 HB3 ASP 32 3HB ASP 32 -8.931 -1.229 0.270 267 H LYS 33 H LYS 33 -7.035 -0.009 -1.058 268 HA LYS 33 HA LYS 33 -8.386 0.847 -3.407 269 HB2 LYS 33 2HB LYS 33 -6.233 2.031 -1.607 270 HB3 LYS 33 3HB LYS 33 -6.812 2.872 -3.051 271 HG2 LYS 33 2HG LYS 33 -9.105 2.933 -2.150 272 HG3 LYS 33 3HG LYS 33 -8.615 1.971 -0.750 273 HD2 LYS 33 2HD LYS 33 -7.054 3.764 -0.029 274 HD3 LYS 33 3HD LYS 33 -7.458 4.718 -1.462 275 HE2 LYS 33 2HE LYS 33 -9.764 4.997 -0.731 276 HE3 LYS 33 3HE LYS 33 -9.559 3.817 0.570 277 HZ1 LYS 33 3HZ LYS 33 -8.015 6.324 0.432 278 HZ2 LYS 33 1HZ LYS 33 -9.422 6.182 1.248 279 HZ3 LYS 33 2HZ LYS 33 -8.126 5.297 1.697 280 H ILE 34 H ILE 34 -4.970 -0.175 -2.680 281 HA ILE 34 HA ILE 34 -3.967 0.330 -5.230 282 HB ILE 34 HB ILE 34 -3.283 -1.779 -3.125 283 HG12 ILE 34 2HG1 ILE 34 -1.775 0.734 -3.973 284 HG13 ILE 34 3HG1 ILE 34 -2.959 0.714 -2.659 285 HG21 ILE 34 1HG2 ILE 34 -1.173 -2.130 -4.369 286 HG22 ILE 34 2HG2 ILE 34 -2.608 -2.609 -5.337 287 HG23 ILE 34 3HG2 ILE 34 -1.772 -1.057 -5.678 288 HD11 ILE 34 3HD1 ILE 34 -0.411 -0.961 -2.789 289 HD12 ILE 34 1HD1 ILE 34 -0.672 0.510 -1.793 290 HD13 ILE 34 2HD1 ILE 34 -1.612 -0.982 -1.454 291 H HIS 35 H HIS 35 -5.859 -2.461 -3.899 292 HA HIS 35 HA HIS 35 -5.559 -4.100 -6.177 293 HB2 HIS 35 2HB HIS 35 -6.276 -5.093 -4.119 294 HB3 HIS 35 3HB HIS 35 -7.585 -3.923 -3.909 295 HD2 HIS 35 HD2 HIS 35 -10.009 -4.888 -4.727 296 HE1 HIS 35 HE1 HIS 35 -8.573 -7.957 -7.343 297 H ILE 36 H ILE 36 -7.943 -1.511 -5.274 298 HA ILE 36 HA ILE 36 -9.660 -1.935 -7.433 299 HB ILE 36 HB ILE 36 -8.952 0.536 -5.782 300 HG12 ILE 36 2HG1 ILE 36 -11.490 -1.158 -5.861 301 HG13 ILE 36 3HG1 ILE 36 -10.150 -1.465 -4.748 302 HG21 ILE 36 1HG2 ILE 36 -10.948 1.615 -6.765 303 HG22 ILE 36 2HG2 ILE 36 -9.690 1.281 -8.003 304 HG23 ILE 36 3HG2 ILE 36 -11.140 0.227 -7.888 305 HD11 ILE 36 3HD1 ILE 36 -11.781 1.110 -4.907 306 HD12 ILE 36 1HD1 ILE 36 -11.927 -0.172 -3.658 307 HD13 ILE 36 2HD1 ILE 36 -10.421 0.797 -3.777 308 H VAL 37 H VAL 37 -6.596 -0.012 -7.112 309 HA VAL 37 HA VAL 37 -6.860 1.249 -9.621 310 HB VAL 37 HB VAL 37 -4.475 0.686 -7.795 311 HG11 VAL 37 1HG1 VAL 37 -3.212 2.305 -9.178 312 HG12 VAL 37 2HG1 VAL 37 -3.678 0.846 -10.116 313 HG13 VAL 37 3HG1 VAL 37 -4.585 2.381 -10.334 314 HG21 VAL 37 3HG2 VAL 37 -6.153 2.248 -6.912 315 HG22 VAL 37 1HG2 VAL 37 -4.635 3.112 -7.334 316 HG23 VAL 37 2HG2 VAL 37 -6.061 3.219 -8.421 317 H GLU 38 H GLU 38 -5.346 -1.855 -8.515 318 HA GLU 38 HA GLU 38 -4.290 -2.254 -11.221 319 HB2 GLU 38 2HB GLU 38 -3.845 -3.700 -8.567 320 HB3 GLU 38 3HB GLU 38 -3.142 -4.214 -10.106 321 HG2 GLU 38 2HG GLU 38 -2.632 -1.542 -8.705 322 HG3 GLU 38 3HG GLU 38 -1.527 -2.922 -8.749 323 H ASN 39 H ASN 39 -4.307 -4.885 -11.693 324 HA ASN 39 HA ASN 39 -7.107 -5.711 -11.292 325 HB2 ASN 39 2HB ASN 39 -5.203 -6.301 -13.592 326 HB3 ASN 39 3HB ASN 39 -6.789 -7.054 -13.377 327 HD21 ASN 39 1HD2 ASN 39 -5.838 -5.456 -15.561 328 HD22 ASN 39 2HD2 ASN 39 -6.963 -4.148 -15.716 329 H THR 40 H THR 40 -4.620 -6.160 -9.531 330 HA THR 40 HA THR 40 -4.425 -9.072 -9.855 331 HB THR 40 HB THR 40 -2.569 -7.068 -8.468 332 HG1 THR 40 HG1 THR 40 -2.226 -8.803 -10.784 333 HG21 THR 40 3HG2 THR 40 -2.344 -10.105 -8.756 334 HG22 THR 40 1HG2 THR 40 -1.085 -9.015 -8.082 335 HG23 THR 40 2HG2 THR 40 -2.658 -9.205 -7.234 336 HA PRO 41 HA PRO 41 -6.963 -9.461 -6.205 337 HB2 PRO 41 2HB PRO 41 -5.357 -12.051 -5.991 338 HB3 PRO 41 3HB PRO 41 -7.112 -11.839 -5.931 339 HG2 PRO 41 2HG PRO 41 -5.999 -12.817 -8.145 340 HG3 PRO 41 3HG PRO 41 -7.306 -11.634 -8.288 341 HD2 PRO 41 2HD PRO 41 -4.316 -11.224 -8.645 342 HD3 PRO 41 3HD PRO 41 -5.652 -10.519 -9.564 343 H ILE 42 H ILE 42 -6.845 -9.107 -4.031 344 HA ILE 42 HA ILE 42 -4.502 -7.938 -3.119 345 HB ILE 42 HB ILE 42 -6.957 -9.046 -1.677 346 HG12 ILE 42 2HG1 ILE 42 -6.040 -6.177 -2.172 347 HG13 ILE 42 3HG1 ILE 42 -7.140 -7.052 -3.245 348 HG21 ILE 42 1HG2 ILE 42 -6.194 -7.804 0.319 349 HG22 ILE 42 2HG2 ILE 42 -5.054 -9.119 -0.126 350 HG23 ILE 42 3HG2 ILE 42 -4.654 -7.412 -0.518 351 HD11 ILE 42 3HD1 ILE 42 -7.638 -6.435 -0.298 352 HD12 ILE 42 1HD1 ILE 42 -8.377 -5.597 -1.704 353 HD13 ILE 42 2HD1 ILE 42 -8.756 -7.324 -1.387 354 H LYS 43 H LYS 43 -5.730 -11.327 -2.820 355 HA LYS 43 HA LYS 43 -3.947 -12.100 -0.776 356 HB2 LYS 43 2HB LYS 43 -5.444 -13.647 -2.942 357 HB3 LYS 43 3HB LYS 43 -4.498 -14.426 -1.667 358 HG2 LYS 43 2HG LYS 43 -5.957 -13.385 0.063 359 HG3 LYS 43 3HG LYS 43 -6.895 -12.581 -1.203 360 HD2 LYS 43 2HD LYS 43 -7.522 -14.797 -2.162 361 HD3 LYS 43 3HD LYS 43 -6.559 -15.615 -0.924 362 HE2 LYS 43 2HE LYS 43 -7.989 -14.616 0.861 363 HE3 LYS 43 3HE LYS 43 -8.943 -13.773 -0.367 364 HZ1 LYS 43 3HZ LYS 43 -8.690 -16.703 -0.127 365 HZ2 LYS 43 1HZ LYS 43 -9.988 -15.816 0.315 366 HZ3 LYS 43 2HZ LYS 43 -9.570 -15.924 -1.260 367 H ARG 44 H ARG 44 -3.462 -11.461 -4.204 368 HA ARG 44 HA ARG 44 -1.049 -13.127 -4.191 369 HB2 ARG 44 2HB ARG 44 -2.506 -11.797 -6.490 370 HB3 ARG 44 3HB ARG 44 -1.022 -12.750 -6.621 371 HG2 ARG 44 2HG ARG 44 -3.672 -13.813 -5.551 372 HG3 ARG 44 3HG ARG 44 -3.123 -13.983 -7.224 373 HD2 ARG 44 2HD ARG 44 -1.157 -15.234 -6.450 374 HD3 ARG 44 3HD ARG 44 -1.708 -15.064 -4.778 375 HE ARG 44 HE ARG 44 -3.772 -16.274 -6.308 376 HH11 ARG 44 1HH1 ARG 44 -0.554 -17.015 -5.107 377 HH12 ARG 44 2HH1 ARG 44 -0.869 -18.713 -4.975 378 HH21 ARG 44 1HH2 ARG 44 -4.158 -18.453 -6.147 379 HH22 ARG 44 2HH2 ARG 44 -2.937 -19.540 -5.573 380 H MET 45 H MET 45 -2.219 -9.732 -4.404 381 HA MET 45 HA MET 45 0.268 -8.677 -5.292 382 HB2 MET 45 2HB MET 45 -1.920 -7.552 -5.596 383 HB3 MET 45 3HB MET 45 -2.106 -7.409 -3.843 384 HG2 MET 45 2HG MET 45 0.334 -6.214 -5.182 385 HG3 MET 45 3HG MET 45 -1.219 -5.377 -5.294 386 HE1 MET 45 3HE MET 45 -2.623 -5.637 -2.225 387 HE2 MET 45 1HE MET 45 -1.975 -3.987 -1.938 388 HE3 MET 45 2HE MET 45 -2.522 -4.464 -3.580 389 H GLN 46 H GLN 46 2.075 -8.018 -4.155 390 HA GLN 46 HA GLN 46 1.926 -8.336 -1.232 391 HB2 GLN 46 2HB GLN 46 3.567 -9.755 -2.500 392 HB3 GLN 46 3HB GLN 46 4.334 -8.288 -3.121 393 HG2 GLN 46 2HG GLN 46 4.952 -7.604 -0.833 394 HG3 GLN 46 3HG GLN 46 4.114 -9.009 -0.162 395 HE21 GLN 46 1HE2 GLN 46 6.490 -9.083 0.704 396 HE22 GLN 46 2HE2 GLN 46 7.576 -10.095 -0.189 397 H LEU 47 H LEU 47 2.451 -6.609 0.140 398 HA LEU 47 HA LEU 47 2.894 -4.048 -1.267 399 HB2 LEU 47 2HB LEU 47 0.596 -4.160 -0.517 400 HB3 LEU 47 3HB LEU 47 1.072 -4.787 1.066 401 HG LEU 47 HG LEU 47 2.155 -2.604 1.614 402 HD11 LEU 47 1HD1 LEU 47 1.792 -0.669 0.126 403 HD12 LEU 47 2HD1 LEU 47 2.770 -1.943 -0.677 404 HD13 LEU 47 3HD1 LEU 47 1.035 -1.747 -1.095 405 HD21 LEU 47 3HD2 LEU 47 -0.201 -3.035 2.215 406 HD22 LEU 47 1HD2 LEU 47 0.058 -1.305 1.805 407 HD23 LEU 47 2HD2 LEU 47 -0.729 -2.402 0.620 408 H TYR 48 H TYR 48 4.874 -3.214 -0.772 409 HA TYR 48 HA TYR 48 5.873 -3.720 1.960 410 HB2 TYR 48 2HB TYR 48 7.285 -4.849 0.362 411 HB3 TYR 48 3HB TYR 48 7.301 -3.451 -0.722 412 HD1 TYR 48 HD1 TYR 48 8.441 -4.641 2.641 413 HD2 TYR 48 HD2 TYR 48 8.934 -1.742 -0.486 414 HE1 TYR 48 HE1 TYR 48 10.501 -3.816 3.736 415 HE2 TYR 48 HE2 TYR 48 10.997 -0.913 0.602 416 HH TYR 48 HH TYR 48 12.527 -1.295 2.191 417 H TYR 49 H TYR 49 6.644 -1.951 3.166 418 HA TYR 49 HA TYR 49 6.417 0.668 1.822 419 HB2 TYR 49 2HB TYR 49 4.728 0.639 3.471 420 HB3 TYR 49 3HB TYR 49 5.707 -0.296 4.609 421 HD1 TYR 49 HD1 TYR 49 5.862 3.023 2.809 422 HD2 TYR 49 HD2 TYR 49 6.585 0.840 6.433 423 HE1 TYR 49 HE1 TYR 49 6.568 5.117 3.924 424 HE2 TYR 49 HE2 TYR 49 7.292 2.929 7.555 425 HH TYR 49 HH TYR 49 6.616 5.636 7.008 426 H SER 50 H SER 50 8.233 1.970 1.800 427 HA SER 50 HA SER 50 10.740 1.435 2.197 428 HB2 SER 50 2HB SER 50 9.864 3.693 1.733 429 HB3 SER 50 3HB SER 50 9.323 3.853 3.409 430 HG SER 50 HG SER 50 11.365 4.879 3.035 431 H GLY 51 H GLY 51 11.561 -0.098 3.625 432 HA2 GLY 51 2HA GLY 51 12.667 -0.358 5.664 433 HA3 GLY 51 3HA GLY 51 11.503 0.720 6.445 434 H ILE 52 H ILE 52 9.193 -0.119 6.722 435 HA ILE 52 HA ILE 52 9.420 -2.937 7.447 436 HB ILE 52 HB ILE 52 7.416 -0.772 8.271 437 HG12 ILE 52 2HG1 ILE 52 9.610 -2.135 9.900 438 HG13 ILE 52 3HG1 ILE 52 9.808 -0.566 9.108 439 HG21 ILE 52 1HG2 ILE 52 6.641 -2.420 9.943 440 HG22 ILE 52 2HG2 ILE 52 6.386 -3.001 8.263 441 HG23 ILE 52 3HG2 ILE 52 7.747 -3.648 9.240 442 HD11 ILE 52 3HD1 ILE 52 7.740 -1.233 11.252 443 HD12 ILE 52 1HD1 ILE 52 9.254 -0.295 11.484 444 HD13 ILE 52 2HD1 ILE 52 7.941 0.361 10.448 445 H GLU 53 H GLU 53 8.179 -4.534 6.463 446 HA GLU 53 HA GLU 53 6.583 -3.795 4.195 447 HB2 GLU 53 2HB GLU 53 8.025 -5.852 4.351 448 HB3 GLU 53 3HB GLU 53 6.949 -6.482 5.605 449 HG2 GLU 53 2HG GLU 53 5.062 -6.528 4.009 450 HG3 GLU 53 3HG GLU 53 6.075 -5.803 2.753 451 H LEU 54 H LEU 54 4.302 -3.927 3.951 452 HA LEU 54 HA LEU 54 2.988 -3.403 6.499 453 HB2 LEU 54 2HB LEU 54 2.030 -3.077 3.612 454 HB3 LEU 54 3HB LEU 54 1.196 -2.491 5.057 455 HG LEU 54 HG LEU 54 3.915 -1.522 4.029 456 HD11 LEU 54 1HD1 LEU 54 2.700 0.586 3.621 457 HD12 LEU 54 2HD1 LEU 54 1.998 -0.773 2.679 458 HD13 LEU 54 3HD1 LEU 54 1.172 -0.188 4.163 459 HD21 LEU 54 3HD2 LEU 54 3.801 -1.522 6.495 460 HD22 LEU 54 1HD2 LEU 54 3.743 0.151 5.844 461 HD23 LEU 54 2HD2 LEU 54 2.239 -0.638 6.428 462 H ALA 55 H ALA 55 3.162 -5.869 7.015 463 HA ALA 55 HA ALA 55 1.545 -7.531 5.251 464 HB1 ALA 55 3HB ALA 55 3.298 -8.162 7.679 465 HB2 ALA 55 1HB ALA 55 2.492 -9.373 6.625 466 HB3 ALA 55 2HB ALA 55 3.776 -8.312 5.954 467 H ASP 56 H ASP 56 1.181 -5.741 8.236 468 HA ASP 56 HA ASP 56 -0.700 -7.686 9.330 469 HB2 ASP 56 2HB ASP 56 1.057 -6.622 10.762 470 HB3 ASP 56 3HB ASP 56 0.363 -5.032 10.417 471 H ASP 57 H ASP 57 -2.836 -7.572 8.776 472 HA ASP 57 HA ASP 57 -3.820 -5.424 7.236 473 HB2 ASP 57 2HB ASP 57 -5.131 -7.751 8.709 474 HB3 ASP 57 3HB ASP 57 -6.057 -6.589 7.749 475 H TYR 58 H TYR 58 -3.785 -6.068 10.776 476 HA TYR 58 HA TYR 58 -6.014 -4.203 11.121 477 HB2 TYR 58 2HB TYR 58 -4.611 -6.148 13.020 478 HB3 TYR 58 3HB TYR 58 -5.953 -5.092 13.479 479 HD1 TYR 58 HD1 TYR 58 -8.217 -5.422 12.394 480 HD2 TYR 58 HD2 TYR 58 -4.998 -8.210 11.858 481 HE1 TYR 58 HE1 TYR 58 -9.833 -7.135 11.636 482 HE2 TYR 58 HE2 TYR 58 -6.608 -9.928 11.094 483 HH TYR 58 HH TYR 58 -10.134 -9.204 10.922 484 H ARG 59 H ARG 59 -2.569 -4.179 11.125 485 HA ARG 59 HA ARG 59 -2.306 -2.201 13.197 486 HB2 ARG 59 2HB ARG 59 -0.500 -3.763 12.700 487 HB3 ARG 59 3HB ARG 59 -0.369 -3.120 11.057 488 HG2 ARG 59 2HG ARG 59 0.350 -0.953 11.888 489 HG3 ARG 59 3HG ARG 59 0.027 -1.429 13.560 490 HD2 ARG 59 2HD ARG 59 1.784 -3.105 13.457 491 HD3 ARG 59 3HD ARG 59 2.076 -2.728 11.754 492 HE ARG 59 HE ARG 59 2.385 -0.340 13.222 493 HH11 ARG 59 1HH1 ARG 59 3.944 -3.480 12.978 494 HH12 ARG 59 2HH1 ARG 59 5.511 -2.860 13.377 495 HH21 ARG 59 1HH2 ARG 59 4.397 0.438 13.744 496 HH22 ARG 59 2HH2 ARG 59 5.773 -0.612 13.818 497 H ASN 60 H ASN 60 -2.156 0.057 12.978 498 HA ASN 60 HA ASN 60 -3.657 0.984 10.716 499 HB2 ASN 60 2HB ASN 60 -2.529 2.333 13.192 500 HB3 ASN 60 3HB ASN 60 -3.401 3.209 11.927 501 HD21 ASN 60 1HD2 ASN 60 -3.721 1.879 14.855 502 HD22 ASN 60 2HD2 ASN 60 -5.428 1.582 14.861 503 H LEU 61 H LEU 61 -3.005 2.757 9.271 504 HA LEU 61 HA LEU 61 -0.417 2.574 8.252 505 HB2 LEU 61 2HB LEU 61 -2.526 4.784 8.108 506 HB3 LEU 61 3HB LEU 61 -1.042 4.779 7.146 507 HG LEU 61 HG LEU 61 -3.159 2.568 7.033 508 HD11 LEU 61 1HD1 LEU 61 -3.814 3.589 4.883 509 HD12 LEU 61 2HD1 LEU 61 -4.073 4.718 6.255 510 HD13 LEU 61 3HD1 LEU 61 -2.659 4.935 5.169 511 HD21 LEU 61 3HD2 LEU 61 -0.876 1.865 6.408 512 HD22 LEU 61 1HD2 LEU 61 -1.949 1.933 4.970 513 HD23 LEU 61 2HD2 LEU 61 -0.758 3.245 5.264 514 H ASN 62 H ASN 62 -1.838 4.916 10.656 515 HA ASN 62 HA ASN 62 0.440 6.487 10.942 516 HB2 ASN 62 2HB ASN 62 -1.734 7.098 11.857 517 HB3 ASN 62 3HB ASN 62 -1.708 5.707 12.949 518 HD21 ASN 62 1HD2 ASN 62 -1.171 6.137 14.931 519 HD22 ASN 62 2HD2 ASN 62 -0.073 7.364 15.469 520 H GLU 63 H GLU 63 -0.470 3.328 12.488 521 HA GLU 63 HA GLU 63 1.622 3.402 14.390 522 HB2 GLU 63 2HB GLU 63 -0.129 1.205 13.211 523 HB3 GLU 63 3HB GLU 63 1.129 0.856 14.404 524 HG2 GLU 63 2HG GLU 63 0.039 2.273 16.068 525 HG3 GLU 63 3HG GLU 63 -1.132 2.856 14.878 526 H TYR 64 H TYR 64 1.445 2.393 10.955 527 HA TYR 64 HA TYR 64 3.930 0.946 11.080 528 HB2 TYR 64 2HB TYR 64 1.849 1.661 9.054 529 HB3 TYR 64 3HB TYR 64 3.493 1.504 8.423 530 HD1 TYR 64 HD1 TYR 64 4.786 -0.687 9.433 531 HD2 TYR 64 HD2 TYR 64 0.536 -0.252 9.009 532 HE1 TYR 64 HE1 TYR 64 4.541 -3.149 9.398 533 HE2 TYR 64 HE2 TYR 64 0.284 -2.716 8.981 534 HH TYR 64 HH TYR 64 3.161 -4.867 9.254 535 H GLY 65 H GLY 65 3.001 4.329 10.865 536 HA2 GLY 65 2HA GLY 65 4.507 6.080 10.887 537 HA3 GLY 65 3HA GLY 65 5.777 5.018 10.265 538 H ILE 66 H ILE 66 2.507 5.113 8.770 539 HA ILE 66 HA ILE 66 3.752 5.798 6.281 540 HB ILE 66 HB ILE 66 0.805 5.388 7.011 541 HG12 ILE 66 2HG1 ILE 66 2.159 3.395 7.483 542 HG13 ILE 66 3HG1 ILE 66 1.094 3.128 6.096 543 HG21 ILE 66 1HG2 ILE 66 0.497 5.023 4.585 544 HG22 ILE 66 2HG2 ILE 66 1.097 6.678 4.941 545 HG23 ILE 66 3HG2 ILE 66 2.224 5.431 4.308 546 HD11 ILE 66 3HD1 ILE 66 4.070 3.790 5.955 547 HD12 ILE 66 1HD1 ILE 66 3.321 2.178 5.696 548 HD13 ILE 66 2HD1 ILE 66 2.988 3.519 4.548 549 H THR 67 H THR 67 4.147 7.908 5.668 550 HA THR 67 HA THR 67 2.601 9.961 7.071 551 HB THR 67 HB THR 67 4.462 11.462 6.600 552 HG1 THR 67 HG1 THR 67 6.331 10.630 5.415 553 HG21 THR 67 3HG2 THR 67 5.486 8.726 7.508 554 HG22 THR 67 1HG2 THR 67 6.301 10.302 7.789 555 HG23 THR 67 2HG2 THR 67 4.709 9.966 8.549 556 H GLU 68 H GLU 68 2.778 12.186 5.539 557 HA GLU 68 HA GLU 68 1.013 11.694 3.396 558 HB2 GLU 68 2HB GLU 68 2.714 14.091 4.218 559 HB3 GLU 68 3HB GLU 68 1.594 14.131 2.850 560 HG2 GLU 68 2HG GLU 68 -0.311 13.655 4.347 561 HG3 GLU 68 3HG GLU 68 0.781 13.490 5.728 562 H PHE 69 H PHE 69 4.480 11.361 3.644 563 HA PHE 69 HA PHE 69 4.715 11.631 0.713 564 HB2 PHE 69 2HB PHE 69 6.848 11.815 2.896 565 HB3 PHE 69 3HB PHE 69 7.140 11.952 1.158 566 HD1 PHE 69 HD1 PHE 69 6.086 13.885 -0.116 567 HD2 PHE 69 HD2 PHE 69 6.131 13.680 4.175 568 HE1 PHE 69 HE1 PHE 69 5.664 16.322 0.005 569 HE2 PHE 69 HE2 PHE 69 5.706 16.117 4.295 570 HZ PHE 69 HZ PHE 69 5.471 17.441 2.211 571 H SER 70 H SER 70 3.764 9.244 2.489 572 HA SER 70 HA SER 70 5.778 7.395 2.856 573 HB2 SER 70 2HB SER 70 3.511 7.149 3.735 574 HB3 SER 70 3HB SER 70 2.844 7.040 2.101 575 HG SER 70 HG SER 70 4.733 5.200 3.273 576 H GLU 71 H GLU 71 7.060 6.162 1.531 577 HA GLU 71 HA GLU 71 6.155 5.867 -1.262 578 HB2 GLU 71 2HB GLU 71 8.944 5.712 -0.021 579 HB3 GLU 71 3HB GLU 71 8.572 5.345 -1.711 580 HG2 GLU 71 2HG GLU 71 7.782 7.684 -2.050 581 HG3 GLU 71 3HG GLU 71 8.139 8.054 -0.358 582 H ILE 72 H ILE 72 5.252 3.894 -1.688 583 HA ILE 72 HA ILE 72 6.303 1.631 -0.133 584 HB ILE 72 HB ILE 72 4.030 0.605 -0.406 585 HG12 ILE 72 2HG1 ILE 72 3.177 3.378 -1.356 586 HG13 ILE 72 3HG1 ILE 72 3.455 2.012 -2.445 587 HG21 ILE 72 1HG2 ILE 72 2.891 2.018 1.276 588 HG22 ILE 72 2HG2 ILE 72 4.627 1.781 1.669 589 HG23 ILE 72 3HG2 ILE 72 4.070 3.336 0.963 590 HD11 ILE 72 3HD1 ILE 72 1.407 2.101 -0.185 591 HD12 ILE 72 1HD1 ILE 72 1.067 2.269 -1.940 592 HD13 ILE 72 2HD1 ILE 72 1.689 0.714 -1.290 593 H VAL 73 H VAL 73 6.692 -0.343 -1.276 594 HA VAL 73 HA VAL 73 6.498 -0.065 -4.192 595 HB VAL 73 HB VAL 73 8.297 -1.843 -2.470 596 HG11 VAL 73 1HG1 VAL 73 9.395 -2.438 -4.610 597 HG12 VAL 73 2HG1 VAL 73 7.673 -2.948 -4.576 598 HG13 VAL 73 3HG1 VAL 73 8.159 -1.488 -5.502 599 HG21 VAL 73 3HG2 VAL 73 8.949 0.526 -2.420 600 HG22 VAL 73 1HG2 VAL 73 10.128 -0.440 -3.369 601 HG23 VAL 73 2HG2 VAL 73 8.920 0.585 -4.214 602 H VAL 74 H VAL 74 5.247 -1.542 -5.363 603 HA VAL 74 HA VAL 74 3.948 -3.604 -3.717 604 HB VAL 74 HB VAL 74 2.753 -1.887 -5.954 605 HG11 VAL 74 1HG1 VAL 74 0.626 -3.022 -5.393 606 HG12 VAL 74 2HG1 VAL 74 1.865 -4.179 -5.985 607 HG13 VAL 74 3HG1 VAL 74 1.500 -4.075 -4.230 608 HG21 VAL 74 3HG2 VAL 74 3.031 -0.656 -3.845 609 HG22 VAL 74 1HG2 VAL 74 1.296 -0.995 -4.162 610 HG23 VAL 74 2HG2 VAL 74 2.196 -1.971 -2.952 611 H PHE 75 H PHE 75 3.933 -5.691 -4.561 612 HA PHE 75 HA PHE 75 5.032 -5.962 -7.286 613 HB2 PHE 75 2HB PHE 75 5.182 -7.846 -4.881 614 HB3 PHE 75 3HB PHE 75 5.822 -8.193 -6.493 615 HD1 PHE 75 HD1 PHE 75 7.786 -6.961 -7.363 616 HD2 PHE 75 HD2 PHE 75 6.323 -6.335 -3.372 617 HE1 PHE 75 HE1 PHE 75 9.923 -5.874 -6.749 618 HE2 PHE 75 HE2 PHE 75 8.458 -5.241 -2.761 619 HZ PHE 75 HZ PHE 75 10.262 -5.011 -4.447 620 H LEU 76 H LEU 76 3.949 -7.279 -8.785 621 HA LEU 76 HA LEU 76 1.232 -8.009 -7.914 622 HB2 LEU 76 2HB LEU 76 2.381 -7.379 -10.677 623 HB3 LEU 76 3HB LEU 76 0.700 -7.818 -10.345 624 HG LEU 76 HG LEU 76 2.108 -5.313 -9.274 625 HD11 LEU 76 1HD1 LEU 76 0.655 -4.115 -10.866 626 HD12 LEU 76 2HD1 LEU 76 1.762 -5.248 -11.711 627 HD13 LEU 76 3HD1 LEU 76 0.034 -5.682 -11.484 628 HD21 LEU 76 3HD2 LEU 76 0.353 -6.180 -7.771 629 HD22 LEU 76 1HD2 LEU 76 -0.171 -4.660 -8.573 630 HD23 LEU 76 2HD2 LEU 76 -0.801 -6.242 -9.145 631 H LYS 77 H LYS 77 0.515 -10.115 -8.053 632 HA LYS 77 HA LYS 77 2.217 -11.981 -9.575 633 HB2 LYS 77 2HB LYS 77 0.913 -12.382 -6.841 634 HB3 LYS 77 3HB LYS 77 1.628 -13.680 -7.805 635 HG2 LYS 77 2HG LYS 77 3.844 -12.488 -7.713 636 HG3 LYS 77 3HG LYS 77 3.111 -11.252 -6.682 637 HD2 LYS 77 2HD LYS 77 2.511 -13.018 -5.003 638 HD3 LYS 77 3HD LYS 77 3.264 -14.244 -6.031 639 HE2 LYS 77 2HE LYS 77 5.454 -13.041 -5.860 640 HE3 LYS 77 3HE LYS 77 4.700 -11.817 -4.830 641 HZ1 LYS 77 3HZ LYS 77 4.909 -14.688 -4.184 642 HZ2 LYS 77 1HZ LYS 77 5.816 -13.493 -3.538 643 HZ3 LYS 77 2HZ LYS 77 4.213 -13.557 -3.233 644 H SER 78 H SER 78 0.422 -11.238 -11.225 645 HA SER 78 HA SER 78 -1.277 -13.556 -11.342 646 HB2 SER 78 2HB SER 78 -3.371 -12.407 -11.551 647 HB3 SER 78 3HB SER 78 -2.641 -11.904 -10.021 648 HG SER 78 HG SER 78 -3.583 -10.216 -11.522 649 H ILE 79 H ILE 79 -2.313 -13.757 -13.537 650 HA ILE 79 HA ILE 79 -0.842 -12.123 -15.489 651 HB ILE 79 HB ILE 79 -1.914 -14.984 -15.695 652 HG12 ILE 79 2HG1 ILE 79 0.935 -13.893 -15.846 653 HG13 ILE 79 3HG1 ILE 79 0.218 -14.622 -14.402 654 HG21 ILE 79 1HG2 ILE 79 -0.920 -14.991 -17.960 655 HG22 ILE 79 2HG2 ILE 79 -2.236 -13.778 -17.813 656 HG23 ILE 79 3HG2 ILE 79 -0.520 -13.249 -17.786 657 HD11 ILE 79 3HD1 ILE 79 0.621 -16.013 -17.088 658 HD12 ILE 79 1HD1 ILE 79 1.614 -16.239 -15.608 659 HD13 ILE 79 2HD1 ILE 79 -0.107 -16.753 -15.622 660 H ASN 80 H ASN 80 -3.997 -13.854 -14.831 661 HA ASN 80 HA ASN 80 -5.333 -12.604 -16.990 662 HB2 ASN 80 2HB ASN 80 -6.277 -14.013 -14.473 663 HB3 ASN 80 3HB ASN 80 -7.393 -13.337 -15.667 664 HD21 ASN 80 1HD2 ASN 80 -7.380 -15.996 -15.011 665 HD22 ASN 80 2HD2 ASN 80 -6.926 -16.904 -16.415 666 H ARG 81 H ARG 81 -7.215 -11.051 -16.736 667 HA ARG 81 HA ARG 81 -6.557 -9.088 -14.641 668 HB2 ARG 81 2HB ARG 81 -7.539 -8.604 -17.464 669 HB3 ARG 81 3HB ARG 81 -7.402 -7.368 -16.206 670 HG2 ARG 81 2HG ARG 81 -4.967 -7.742 -16.070 671 HG3 ARG 81 3HG ARG 81 -5.081 -9.034 -17.272 672 HD2 ARG 81 2HD ARG 81 -5.891 -7.420 -18.933 673 HD3 ARG 81 3HD ARG 81 -5.786 -6.128 -17.730 674 HE ARG 81 HE ARG 81 -3.243 -7.297 -17.872 675 HH11 ARG 81 1HH1 ARG 81 -5.414 -5.612 -20.064 676 HH12 ARG 81 2HH1 ARG 81 -4.124 -4.911 -20.984 677 HH21 ARG 81 1HH2 ARG 81 -1.602 -6.404 -19.069 678 HH22 ARG 81 2HH2 ARG 81 -1.936 -5.366 -20.415 679 H ALA 82 H ALA 82 -8.447 -7.664 -13.979 680 HA ALA 82 HA ALA 82 -11.079 -8.670 -14.583 681 HB1 ALA 82 3HB ALA 82 -9.912 -8.916 -11.766 682 HB2 ALA 82 1HB ALA 82 -11.636 -9.153 -12.211 683 HB3 ALA 82 2HB ALA 82 -10.383 -10.272 -12.846 684 H LYS 83 H LYS 83 -12.747 -7.170 -13.974 685 HA LYS 83 HA LYS 83 -11.956 -4.488 -13.839 686 HB2 LYS 83 2HB LYS 83 -14.124 -5.296 -14.728 687 HB3 LYS 83 3HB LYS 83 -14.599 -5.839 -13.114 688 HG2 LYS 83 2HG LYS 83 -14.551 -3.497 -12.291 689 HG3 LYS 83 3HG LYS 83 -14.021 -2.935 -13.882 690 HD2 LYS 83 2HD LYS 83 -16.121 -3.830 -14.902 691 HD3 LYS 83 3HD LYS 83 -16.650 -4.405 -13.316 692 HE2 LYS 83 2HE LYS 83 -16.589 -2.055 -12.450 693 HE3 LYS 83 3HE LYS 83 -16.075 -1.485 -14.043 694 HZ1 LYS 83 3HZ LYS 83 -18.621 -2.860 -13.469 695 HZ2 LYS 83 1HZ LYS 83 -18.439 -1.261 -13.744 696 HZ3 LYS 83 2HZ LYS 83 -18.147 -2.334 -14.940 697 H ASP 84 H ASP 84 -13.691 -6.416 -11.242 698 HA ASP 84 HA ASP 84 -12.485 -4.601 -9.280 699 HB2 ASP 84 2HB ASP 84 -14.745 -6.649 -9.170 700 HB3 ASP 84 3HB ASP 84 -14.087 -5.868 -7.727 Start of MODEL 3 1 H ALA 1 1H ALA 1 -10.940 21.900 2.878 2 HA ALA 1 HA ALA 1 -8.867 21.559 3.965 3 HB1 ALA 1 3HB ALA 1 -11.338 20.819 5.609 4 HB2 ALA 1 1HB ALA 1 -9.773 21.397 6.272 5 HB3 ALA 1 2HB ALA 1 -10.764 22.480 5.238 6 H ALA 2 H ALA 2 -7.259 20.067 4.161 7 HA ALA 2 HA ALA 2 -7.980 17.258 4.222 8 HB1 ALA 2 3HB ALA 2 -5.292 18.713 4.169 9 HB2 ALA 2 1HB ALA 2 -5.528 16.939 4.013 10 HB3 ALA 2 2HB ALA 2 -6.170 18.045 2.752 11 H VAL 3 H VAL 3 -8.462 16.279 6.144 12 HA VAL 3 HA VAL 3 -6.822 17.077 8.445 13 HB VAL 3 HB VAL 3 -9.823 16.471 8.430 14 HG11 VAL 3 1HG1 VAL 3 -9.719 16.995 10.846 15 HG12 VAL 3 2HG1 VAL 3 -8.714 15.566 10.427 16 HG13 VAL 3 3HG1 VAL 3 -7.934 17.156 10.729 17 HG21 VAL 3 3HG2 VAL 3 -9.292 18.718 7.584 18 HG22 VAL 3 1HG2 VAL 3 -10.052 18.810 9.208 19 HG23 VAL 3 2HG2 VAL 3 -8.279 19.037 9.032 20 H ARG 4 H ARG 4 -5.545 15.297 8.893 21 HA ARG 4 HA ARG 4 -4.914 13.214 9.245 22 HB2 ARG 4 2HB ARG 4 -7.862 12.592 9.561 23 HB3 ARG 4 3HB ARG 4 -6.522 11.518 9.983 24 HG2 ARG 4 2HG ARG 4 -5.724 13.139 11.666 25 HG3 ARG 4 3HG ARG 4 -7.013 14.264 11.218 26 HD2 ARG 4 2HD ARG 4 -8.673 12.508 11.869 27 HD3 ARG 4 3HD ARG 4 -7.326 11.526 12.461 28 HE ARG 4 HE ARG 4 -7.158 14.066 13.689 29 HH11 ARG 4 1HH1 ARG 4 -9.320 11.296 13.664 30 HH12 ARG 4 2HH1 ARG 4 -9.835 11.539 15.300 31 HH21 ARG 4 1HH2 ARG 4 -7.835 14.371 15.780 32 HH22 ARG 4 2HH2 ARG 4 -8.985 13.304 16.515 33 H LYS 5 H LYS 5 -5.740 14.252 6.454 34 HA LYS 5 HA LYS 5 -6.114 11.622 5.188 35 HB2 LYS 5 2HB LYS 5 -6.309 14.445 4.032 36 HB3 LYS 5 3HB LYS 5 -6.619 12.941 3.155 37 HG2 LYS 5 2HG LYS 5 -8.217 13.920 5.573 38 HG3 LYS 5 3HG LYS 5 -8.706 14.114 3.884 39 HD2 LYS 5 2HD LYS 5 -8.624 11.600 3.613 40 HD3 LYS 5 3HD LYS 5 -8.244 11.454 5.334 41 HE2 LYS 5 2HE LYS 5 -10.392 12.727 5.845 42 HE3 LYS 5 3HE LYS 5 -10.782 12.667 4.121 43 HZ1 LYS 5 3HZ LYS 5 -10.386 10.327 5.875 44 HZ2 LYS 5 1HZ LYS 5 -11.812 10.865 5.291 45 HZ3 LYS 5 2HZ LYS 5 -10.694 10.247 4.274 46 H ILE 6 H ILE 6 -4.534 10.752 3.813 47 HA ILE 6 HA ILE 6 -2.227 12.462 3.265 48 HB ILE 6 HB ILE 6 -0.719 10.505 3.723 49 HG12 ILE 6 2HG1 ILE 6 -3.193 9.300 5.052 50 HG13 ILE 6 3HG1 ILE 6 -2.537 8.772 3.497 51 HG21 ILE 6 1HG2 ILE 6 -0.772 10.706 6.188 52 HG22 ILE 6 2HG2 ILE 6 -0.988 12.296 5.383 53 HG23 ILE 6 3HG2 ILE 6 -2.405 11.447 6.089 54 HD11 ILE 6 3HD1 ILE 6 -1.072 8.684 6.173 55 HD12 ILE 6 1HD1 ILE 6 -1.810 7.290 5.313 56 HD13 ILE 6 2HD1 ILE 6 -0.405 8.147 4.594 57 H HIS 7 H HIS 7 -1.023 11.827 1.310 58 HA HIS 7 HA HIS 7 -2.407 9.769 -0.287 59 HB2 HIS 7 2HB HIS 7 -0.636 12.107 -1.161 60 HB3 HIS 7 3HB HIS 7 -1.325 10.890 -2.243 61 HD2 HIS 7 HD2 HIS 7 -2.435 14.095 -0.276 62 HE1 HIS 7 HE1 HIS 7 -5.756 12.717 -2.602 63 H VAL 8 H VAL 8 -1.273 7.931 -0.879 64 HA VAL 8 HA VAL 8 1.536 7.887 -0.028 65 HB VAL 8 HB VAL 8 -0.480 5.604 -0.360 66 HG11 VAL 8 1HG1 VAL 8 1.285 4.194 0.656 67 HG12 VAL 8 2HG1 VAL 8 1.812 4.899 -0.910 68 HG13 VAL 8 3HG1 VAL 8 2.409 5.594 0.635 69 HG21 VAL 8 3HG2 VAL 8 -0.944 7.012 1.599 70 HG22 VAL 8 1HG2 VAL 8 -0.303 5.410 2.099 71 HG23 VAL 8 2HG2 VAL 8 0.764 6.854 2.132 72 H THR 9 H THR 9 3.147 7.272 -1.512 73 HA THR 9 HA THR 9 2.278 7.301 -4.264 74 HB THR 9 HB THR 9 5.058 7.240 -2.979 75 HG1 THR 9 HG1 THR 9 5.038 9.495 -3.684 76 HG21 THR 9 3HG2 THR 9 4.211 7.704 -5.882 77 HG22 THR 9 1HG2 THR 9 5.877 7.871 -5.232 78 HG23 THR 9 2HG2 THR 9 5.076 6.264 -5.247 79 H VAL 10 H VAL 10 1.907 5.446 -5.439 80 HA VAL 10 HA VAL 10 2.910 2.956 -4.296 81 HB VAL 10 HB VAL 10 0.872 3.462 -6.526 82 HG11 VAL 10 1HG1 VAL 10 0.274 1.082 -6.188 83 HG12 VAL 10 2HG1 VAL 10 1.980 1.274 -6.715 84 HG13 VAL 10 3HG1 VAL 10 1.607 0.922 -4.994 85 HG21 VAL 10 3HG2 VAL 10 0.083 4.307 -4.356 86 HG22 VAL 10 1HG2 VAL 10 -0.818 2.828 -4.831 87 HG23 VAL 10 2HG2 VAL 10 0.474 2.732 -3.586 88 H LYS 11 H LYS 11 4.782 2.092 -5.134 89 HA LYS 11 HA LYS 11 5.513 2.926 -7.864 90 HB2 LYS 11 2HB LYS 11 7.208 2.011 -5.492 91 HB3 LYS 11 3HB LYS 11 7.840 2.329 -7.113 92 HG2 LYS 11 2HG LYS 11 7.036 4.708 -6.924 93 HG3 LYS 11 3HG LYS 11 6.499 4.371 -5.272 94 HD2 LYS 11 2HD LYS 11 8.849 3.724 -4.655 95 HD3 LYS 11 3HD LYS 11 9.375 4.099 -6.301 96 HE2 LYS 11 2HE LYS 11 8.549 6.464 -5.994 97 HE3 LYS 11 3HE LYS 11 8.111 6.072 -4.326 98 HZ1 LYS 11 3HZ LYS 11 10.795 6.196 -5.504 99 HZ2 LYS 11 1HZ LYS 11 10.213 6.993 -4.203 100 HZ3 LYS 11 2HZ LYS 11 10.530 5.395 -4.106 101 H PHE 12 H PHE 12 5.016 1.333 -9.360 102 HA PHE 12 HA PHE 12 5.833 -1.399 -8.628 103 HB2 PHE 12 2HB PHE 12 4.157 -0.252 -10.907 104 HB3 PHE 12 3HB PHE 12 4.730 -1.925 -10.877 105 HD1 PHE 12 HD1 PHE 12 3.884 -3.517 -9.180 106 HD2 PHE 12 HD2 PHE 12 2.365 0.492 -9.459 107 HE1 PHE 12 HE1 PHE 12 1.922 -4.165 -7.817 108 HE2 PHE 12 HE2 PHE 12 0.405 -0.157 -8.093 109 HZ PHE 12 HZ PHE 12 0.178 -2.486 -7.273 110 HA PRO 13 HA PRO 13 9.512 -1.394 -11.014 111 HB2 PRO 13 2HB PRO 13 8.306 -3.649 -12.685 112 HB3 PRO 13 3HB PRO 13 9.853 -3.623 -11.829 113 HG2 PRO 13 2HG PRO 13 7.828 -5.010 -10.798 114 HG3 PRO 13 3HG PRO 13 8.850 -4.050 -9.720 115 HD2 PRO 13 2HD PRO 13 6.064 -3.423 -10.763 116 HD3 PRO 13 3HD PRO 13 6.739 -3.134 -9.154 117 H SER 14 H SER 14 6.454 -1.372 -12.884 118 HA SER 14 HA SER 14 7.971 0.005 -15.012 119 HB2 SER 14 2HB SER 14 6.531 -1.117 -16.642 120 HB3 SER 14 3HB SER 14 7.439 -2.300 -15.692 121 HG SER 14 HG SER 14 5.212 -2.881 -15.935 122 H LYS 15 H LYS 15 5.629 0.315 -12.591 123 HA LYS 15 HA LYS 15 4.223 2.395 -14.098 124 HB2 LYS 15 2HB LYS 15 2.888 0.312 -14.331 125 HB3 LYS 15 3HB LYS 15 2.881 0.110 -12.574 126 HG2 LYS 15 2HG LYS 15 1.600 2.215 -12.312 127 HG3 LYS 15 3HG LYS 15 1.655 2.488 -14.059 128 HD2 LYS 15 2HD LYS 15 0.441 0.303 -14.409 129 HD3 LYS 15 3HD LYS 15 0.336 0.103 -12.655 130 HE2 LYS 15 2HE LYS 15 -0.873 2.340 -12.539 131 HE3 LYS 15 3HE LYS 15 -0.877 2.378 -14.307 132 HZ1 LYS 15 3HZ LYS 15 -2.114 0.269 -12.657 133 HZ2 LYS 15 1HZ LYS 15 -2.913 1.470 -13.421 134 HZ3 LYS 15 2HZ LYS 15 -2.134 0.327 -14.288 135 H GLN 16 H GLN 16 3.376 4.090 -12.763 136 HA GLN 16 HA GLN 16 3.705 3.732 -9.874 137 HB2 GLN 16 2HB GLN 16 4.875 5.998 -11.561 138 HB3 GLN 16 3HB GLN 16 4.665 6.096 -9.808 139 HG2 GLN 16 2HG GLN 16 6.145 4.079 -9.553 140 HG3 GLN 16 3HG GLN 16 6.403 4.078 -11.303 141 HE21 GLN 16 1HE2 GLN 16 8.679 4.237 -10.187 142 HE22 GLN 16 2HE2 GLN 16 9.323 5.839 -10.052 143 H PHE 17 H PHE 17 2.191 4.941 -8.622 144 HA PHE 17 HA PHE 17 0.828 7.170 -9.734 145 HB2 PHE 17 2HB PHE 17 -1.453 6.218 -9.682 146 HB3 PHE 17 3HB PHE 17 -0.451 5.462 -10.927 147 HD1 PHE 17 HD1 PHE 17 -2.084 4.978 -7.643 148 HD2 PHE 17 HD2 PHE 17 0.208 3.128 -10.771 149 HE1 PHE 17 HE1 PHE 17 -2.603 2.747 -6.706 150 HE2 PHE 17 HE2 PHE 17 -0.314 0.898 -9.834 151 HZ PHE 17 HZ PHE 17 -1.716 0.704 -7.795 152 H THR 18 H THR 18 -0.928 7.966 -8.115 153 HA THR 18 HA THR 18 0.061 7.281 -5.438 154 HB THR 18 HB THR 18 -0.677 9.579 -4.794 155 HG1 THR 18 HG1 THR 18 -1.231 11.046 -6.562 156 HG21 THR 18 3HG2 THR 18 1.193 9.489 -7.213 157 HG22 THR 18 1HG2 THR 18 1.091 10.819 -6.010 158 HG23 THR 18 2HG2 THR 18 1.655 9.191 -5.503 159 H VAL 19 H VAL 19 -1.500 7.128 -3.675 160 HA VAL 19 HA VAL 19 -4.292 7.063 -4.574 161 HB VAL 19 HB VAL 19 -4.658 5.127 -3.035 162 HG11 VAL 19 1HG1 VAL 19 -3.611 3.412 -4.480 163 HG12 VAL 19 2HG1 VAL 19 -4.327 4.750 -5.441 164 HG13 VAL 19 3HG1 VAL 19 -2.550 4.671 -5.197 165 HG21 VAL 19 3HG2 VAL 19 -2.749 5.492 -1.527 166 HG22 VAL 19 1HG2 VAL 19 -2.702 3.839 -2.228 167 HG23 VAL 19 2HG2 VAL 19 -1.607 5.114 -2.861 168 H GLU 20 H GLU 20 -5.884 7.387 -2.754 169 HA GLU 20 HA GLU 20 -4.660 9.134 -0.717 170 HB2 GLU 20 2HB GLU 20 -6.153 10.269 -2.325 171 HB3 GLU 20 3HB GLU 20 -7.448 9.119 -1.966 172 HG2 GLU 20 2HG GLU 20 -7.496 9.931 0.404 173 HG3 GLU 20 3HG GLU 20 -6.226 11.100 0.019 174 H VAL 21 H VAL 21 -4.738 8.446 1.384 175 HA VAL 21 HA VAL 21 -6.989 6.729 2.126 176 HB VAL 21 HB VAL 21 -5.436 5.365 3.542 177 HG11 VAL 21 1HG1 VAL 21 -4.466 4.036 1.693 178 HG12 VAL 21 2HG1 VAL 21 -6.152 4.542 1.340 179 HG13 VAL 21 3HG1 VAL 21 -4.776 5.394 0.560 180 HG21 VAL 21 3HG2 VAL 21 -3.611 6.998 3.761 181 HG22 VAL 21 1HG2 VAL 21 -3.004 5.449 3.086 182 HG23 VAL 21 2HG2 VAL 21 -3.260 6.861 2.005 183 H ASP 22 H ASP 22 -7.106 6.557 4.660 184 HA ASP 22 HA ASP 22 -6.574 9.243 5.714 185 HB2 ASP 22 2HB ASP 22 -8.902 8.122 5.716 186 HB3 ASP 22 3HB ASP 22 -8.259 7.014 6.935 187 H ARG 23 H ARG 23 -5.564 9.537 7.808 188 HA ARG 23 HA ARG 23 -3.368 7.821 8.186 189 HB2 ARG 23 2HB ARG 23 -3.303 10.202 8.688 190 HB3 ARG 23 3HB ARG 23 -4.492 9.988 9.979 191 HG2 ARG 23 2HG ARG 23 -2.934 8.599 11.253 192 HG3 ARG 23 3HG ARG 23 -1.759 8.641 9.931 193 HD2 ARG 23 2HD ARG 23 -1.435 11.008 10.216 194 HD3 ARG 23 3HD ARG 23 -2.735 11.088 11.411 195 HE ARG 23 HE ARG 23 -0.744 9.240 12.282 196 HH11 ARG 23 1HH1 ARG 23 -1.219 12.694 11.843 197 HH12 ARG 23 2HH1 ARG 23 -0.137 13.123 13.125 198 HH21 ARG 23 1HH2 ARG 23 0.649 9.803 13.914 199 HH22 ARG 23 2HH2 ARG 23 0.937 11.463 14.315 200 H THR 24 H THR 24 -6.667 7.856 9.554 201 HA THR 24 HA THR 24 -5.837 6.251 11.809 202 HB THR 24 HB THR 24 -8.224 6.364 12.455 203 HG1 THR 24 HG1 THR 24 -8.555 7.891 9.997 204 HG21 THR 24 3HG2 THR 24 -7.117 9.048 11.493 205 HG22 THR 24 1HG2 THR 24 -8.408 8.820 12.722 206 HG23 THR 24 2HG2 THR 24 -6.740 8.243 13.054 207 H GLU 25 H GLU 25 -6.504 5.622 8.528 208 HA GLU 25 HA GLU 25 -7.970 3.162 8.977 209 HB2 GLU 25 2HB GLU 25 -6.771 4.547 6.539 210 HB3 GLU 25 3HB GLU 25 -7.492 2.935 6.456 211 HG2 GLU 25 2HG GLU 25 -9.673 3.786 7.109 212 HG3 GLU 25 3HG GLU 25 -9.002 5.374 7.505 213 H THR 26 H THR 26 -7.122 1.018 8.314 214 HA THR 26 HA THR 26 -4.306 0.753 8.889 215 HB THR 26 HB THR 26 -4.722 -1.637 8.836 216 HG1 THR 26 HG1 THR 26 -6.869 -2.413 8.174 217 HG21 THR 26 3HG2 THR 26 -7.119 -0.189 10.064 218 HG22 THR 26 1HG2 THR 26 -6.571 -1.851 10.470 219 HG23 THR 26 2HG2 THR 26 -5.520 -0.443 10.843 220 H VAL 27 H VAL 27 -3.144 -1.031 7.346 221 HA VAL 27 HA VAL 27 -2.885 0.167 4.824 222 HB VAL 27 HB VAL 27 -1.532 -1.909 4.295 223 HG11 VAL 27 1HG1 VAL 27 0.232 -1.447 5.971 224 HG12 VAL 27 2HG1 VAL 27 -0.504 0.066 5.341 225 HG13 VAL 27 3HG1 VAL 27 -0.958 -0.545 6.968 226 HG21 VAL 27 3HG2 VAL 27 -2.827 -3.522 5.620 227 HG22 VAL 27 1HG2 VAL 27 -1.105 -3.513 6.130 228 HG23 VAL 27 2HG2 VAL 27 -2.344 -2.686 7.134 229 H SER 28 H SER 28 -5.255 -2.079 6.072 230 HA SER 28 HA SER 28 -5.850 -3.610 3.837 231 HB2 SER 28 2HB SER 28 -7.683 -2.361 5.934 232 HB3 SER 28 3HB SER 28 -8.159 -3.639 4.808 233 HG SER 28 HG SER 28 -6.163 -3.748 6.880 234 H SER 29 H SER 29 -6.937 -0.232 4.676 235 HA SER 29 HA SER 29 -8.558 -0.011 2.340 236 HB2 SER 29 2HB SER 29 -8.796 2.280 3.009 237 HB3 SER 29 3HB SER 29 -8.832 1.291 4.474 238 HG SER 29 HG SER 29 -7.415 3.325 4.326 239 H LEU 30 H LEU 30 -5.111 0.737 3.136 240 HA LEU 30 HA LEU 30 -4.556 2.150 0.760 241 HB2 LEU 30 2HB LEU 30 -3.104 2.132 2.764 242 HB3 LEU 30 3HB LEU 30 -2.807 0.401 2.558 243 HG LEU 30 HG LEU 30 -1.661 0.856 0.380 244 HD11 LEU 30 1HD1 LEU 30 -1.120 3.184 -0.229 245 HD12 LEU 30 2HD1 LEU 30 -2.893 2.896 -0.235 246 HD13 LEU 30 3HD1 LEU 30 -2.131 3.778 1.132 247 HD21 LEU 30 3HD2 LEU 30 -0.386 0.737 2.490 248 HD22 LEU 30 1HD2 LEU 30 0.338 1.932 1.362 249 HD23 LEU 30 2HD2 LEU 30 -0.648 2.494 2.755 250 H LYS 31 H LYS 31 -4.523 -1.395 1.569 251 HA LYS 31 HA LYS 31 -3.441 -2.130 -0.961 252 HB2 LYS 31 2HB LYS 31 -4.961 -3.656 1.204 253 HB3 LYS 31 3HB LYS 31 -4.288 -4.419 -0.243 254 HG2 LYS 31 2HG LYS 31 -2.003 -3.728 0.421 255 HG3 LYS 31 3HG LYS 31 -2.648 -2.882 1.834 256 HD2 LYS 31 2HD LYS 31 -3.636 -5.093 2.626 257 HD3 LYS 31 3HD LYS 31 -2.813 -5.891 1.280 258 HE2 LYS 31 2HE LYS 31 -0.615 -4.954 2.142 259 HE3 LYS 31 3HE LYS 31 -1.483 -4.310 3.542 260 HZ1 LYS 31 3HZ LYS 31 -1.301 -7.159 2.797 261 HZ2 LYS 31 1HZ LYS 31 -0.526 -6.434 4.037 262 HZ3 LYS 31 2HZ LYS 31 -2.152 -6.582 4.065 263 H ASP 32 H ASP 32 -6.782 -1.678 0.351 264 HA ASP 32 HA ASP 32 -8.188 -2.783 -1.778 265 HB2 ASP 32 2HB ASP 32 -8.724 -0.448 0.105 266 HB3 ASP 32 3HB ASP 32 -9.898 -0.954 -1.117 267 H LYS 33 H LYS 33 -6.791 0.565 -1.384 268 HA LYS 33 HA LYS 33 -7.897 1.566 -3.764 269 HB2 LYS 33 2HB LYS 33 -5.461 2.327 -2.093 270 HB3 LYS 33 3HB LYS 33 -5.970 3.245 -3.516 271 HG2 LYS 33 2HG LYS 33 -7.715 2.741 -1.055 272 HG3 LYS 33 3HG LYS 33 -6.776 4.212 -1.344 273 HD2 LYS 33 2HD LYS 33 -8.043 4.583 -3.484 274 HD3 LYS 33 3HD LYS 33 -8.999 3.132 -3.159 275 HE2 LYS 33 2HE LYS 33 -9.788 4.154 -1.001 276 HE3 LYS 33 3HE LYS 33 -8.861 5.615 -1.367 277 HZ1 LYS 33 3HZ LYS 33 -11.060 4.539 -3.013 278 HZ2 LYS 33 1HZ LYS 33 -11.152 5.834 -2.023 279 HZ3 LYS 33 2HZ LYS 33 -10.204 5.887 -3.352 280 H ILE 34 H ILE 34 -4.696 -0.033 -3.052 281 HA ILE 34 HA ILE 34 -3.690 0.212 -5.639 282 HB ILE 34 HB ILE 34 -3.259 -1.881 -3.451 283 HG12 ILE 34 2HG1 ILE 34 -1.431 0.358 -4.427 284 HG13 ILE 34 3HG1 ILE 34 -2.589 0.569 -3.107 285 HG21 ILE 34 1HG2 ILE 34 -1.243 -2.568 -4.705 286 HG22 ILE 34 2HG2 ILE 34 -2.747 -2.883 -5.634 287 HG23 ILE 34 3HG2 ILE 34 -1.713 -1.476 -6.052 288 HD11 ILE 34 3HD1 ILE 34 -0.305 -1.455 -3.167 289 HD12 ILE 34 1HD1 ILE 34 -0.343 0.085 -2.244 290 HD13 ILE 34 2HD1 ILE 34 -1.481 -1.240 -1.827 291 H HIS 35 H HIS 35 -5.895 -2.247 -4.132 292 HA HIS 35 HA HIS 35 -5.775 -4.053 -6.303 293 HB2 HIS 35 2HB HIS 35 -6.515 -4.742 -4.076 294 HB3 HIS 35 3HB HIS 35 -7.840 -3.572 -4.101 295 HD2 HIS 35 HD2 HIS 35 -10.198 -4.732 -4.828 296 HE1 HIS 35 HE1 HIS 35 -8.596 -7.985 -7.105 297 H ILE 36 H ILE 36 -7.820 -1.157 -5.577 298 HA ILE 36 HA ILE 36 -9.731 -1.661 -7.564 299 HB ILE 36 HB ILE 36 -8.750 0.885 -6.193 300 HG12 ILE 36 2HG1 ILE 36 -11.410 -0.589 -5.969 301 HG13 ILE 36 3HG1 ILE 36 -10.023 -0.948 -4.932 302 HG21 ILE 36 1HG2 ILE 36 -10.729 2.017 -7.151 303 HG22 ILE 36 2HG2 ILE 36 -9.581 1.485 -8.426 304 HG23 ILE 36 3HG2 ILE 36 -11.088 0.554 -8.129 305 HD11 ILE 36 3HD1 ILE 36 -11.425 1.754 -5.164 306 HD12 ILE 36 1HD1 ILE 36 -11.591 0.577 -3.818 307 HD13 ILE 36 2HD1 ILE 36 -10.016 1.390 -4.111 308 H VAL 37 H VAL 37 -6.574 0.155 -7.596 309 HA VAL 37 HA VAL 37 -6.984 1.109 -10.242 310 HB VAL 37 HB VAL 37 -4.499 0.886 -8.470 311 HG11 VAL 37 1HG1 VAL 37 -3.434 2.459 -10.052 312 HG12 VAL 37 2HG1 VAL 37 -3.843 0.895 -10.834 313 HG13 VAL 37 3HG1 VAL 37 -4.867 2.341 -11.128 314 HG21 VAL 37 3HG2 VAL 37 -6.231 2.394 -7.608 315 HG22 VAL 37 1HG2 VAL 37 -4.810 3.323 -8.193 316 HG23 VAL 37 2HG2 VAL 37 -6.302 3.241 -9.190 317 H GLU 38 H GLU 38 -5.309 -1.744 -8.763 318 HA GLU 38 HA GLU 38 -4.215 -2.431 -11.387 319 HB2 GLU 38 2HB GLU 38 -3.804 -3.600 -8.593 320 HB3 GLU 38 3HB GLU 38 -3.012 -4.193 -10.059 321 HG2 GLU 38 2HG GLU 38 -2.695 -1.400 -8.853 322 HG3 GLU 38 3HG GLU 38 -1.521 -2.719 -8.751 323 H ASN 39 H ASN 39 -4.135 -5.117 -11.513 324 HA ASN 39 HA ASN 39 -6.973 -5.880 -11.314 325 HB2 ASN 39 2HB ASN 39 -4.909 -6.680 -13.399 326 HB3 ASN 39 3HB ASN 39 -6.556 -7.313 -13.288 327 HD21 ASN 39 1HD2 ASN 39 -4.596 -5.060 -14.710 328 HD22 ASN 39 2HD2 ASN 39 -5.818 -4.020 -15.362 329 H THR 40 H THR 40 -4.605 -6.257 -9.353 330 HA THR 40 HA THR 40 -4.494 -9.191 -9.472 331 HB THR 40 HB THR 40 -2.565 -7.179 -8.201 332 HG1 THR 40 HG1 THR 40 -2.211 -9.075 -10.382 333 HG21 THR 40 3HG2 THR 40 -2.464 -10.233 -8.322 334 HG22 THR 40 1HG2 THR 40 -1.166 -9.160 -7.696 335 HG23 THR 40 2HG2 THR 40 -2.751 -9.239 -6.854 336 HA PRO 41 HA PRO 41 -7.025 -9.192 -5.781 337 HB2 PRO 41 2HB PRO 41 -5.523 -11.821 -5.383 338 HB3 PRO 41 3HB PRO 41 -7.268 -11.536 -5.339 339 HG2 PRO 41 2HG PRO 41 -6.199 -12.724 -7.471 340 HG3 PRO 41 3HG PRO 41 -7.463 -11.509 -7.702 341 HD2 PRO 41 2HD PRO 41 -4.459 -11.230 -8.085 342 HD3 PRO 41 3HD PRO 41 -5.770 -10.566 -9.068 343 H ILE 42 H ILE 42 -6.856 -8.719 -3.626 344 HA ILE 42 HA ILE 42 -4.446 -7.557 -2.860 345 HB ILE 42 HB ILE 42 -6.910 -8.438 -1.277 346 HG12 ILE 42 2HG1 ILE 42 -5.927 -5.659 -2.070 347 HG13 ILE 42 3HG1 ILE 42 -7.070 -6.602 -3.035 348 HG21 ILE 42 1HG2 ILE 42 -6.061 -7.029 0.568 349 HG22 ILE 42 2HG2 ILE 42 -4.970 -8.415 0.229 350 HG23 ILE 42 3HG2 ILE 42 -4.533 -6.768 -0.339 351 HD11 ILE 42 3HD1 ILE 42 -7.497 -5.693 -0.153 352 HD12 ILE 42 1HD1 ILE 42 -8.241 -4.974 -1.620 353 HD13 ILE 42 2HD1 ILE 42 -8.657 -6.652 -1.133 354 H LYS 43 H LYS 43 -5.800 -10.856 -2.287 355 HA LYS 43 HA LYS 43 -4.001 -11.536 -0.214 356 HB2 LYS 43 2HB LYS 43 -5.633 -13.184 -2.200 357 HB3 LYS 43 3HB LYS 43 -4.682 -13.900 -0.892 358 HG2 LYS 43 2HG LYS 43 -6.036 -12.653 0.786 359 HG3 LYS 43 3HG LYS 43 -6.977 -11.912 -0.515 360 HD2 LYS 43 2HD LYS 43 -7.733 -14.169 -1.268 361 HD3 LYS 43 3HD LYS 43 -6.770 -14.926 0.008 362 HE2 LYS 43 2HE LYS 43 -8.098 -13.715 1.739 363 HE3 LYS 43 3HE LYS 43 -9.050 -12.933 0.471 364 HZ1 LYS 43 3HZ LYS 43 -8.920 -15.841 0.952 365 HZ2 LYS 43 1HZ LYS 43 -10.163 -14.860 1.352 366 HZ3 LYS 43 2HZ LYS 43 -9.800 -15.119 -0.219 367 H ARG 44 H ARG 44 -3.606 -11.224 -3.703 368 HA ARG 44 HA ARG 44 -1.248 -12.960 -3.607 369 HB2 ARG 44 2HB ARG 44 -2.695 -11.749 -5.976 370 HB3 ARG 44 3HB ARG 44 -1.261 -12.780 -6.054 371 HG2 ARG 44 2HG ARG 44 -3.939 -13.623 -4.868 372 HG3 ARG 44 3HG ARG 44 -3.424 -13.956 -6.526 373 HD2 ARG 44 2HD ARG 44 -1.526 -15.250 -5.694 374 HD3 ARG 44 3HD ARG 44 -1.998 -14.891 -4.028 375 HE ARG 44 HE ARG 44 -4.188 -16.119 -5.353 376 HH11 ARG 44 1HH1 ARG 44 -0.961 -16.932 -4.223 377 HH12 ARG 44 2HH1 ARG 44 -1.361 -18.591 -3.924 378 HH21 ARG 44 1HH2 ARG 44 -4.682 -18.248 -4.974 379 HH22 ARG 44 2HH2 ARG 44 -3.495 -19.347 -4.355 380 H MET 45 H MET 45 -2.309 -9.552 -4.175 381 HA MET 45 HA MET 45 0.197 -8.641 -5.105 382 HB2 MET 45 2HB MET 45 -1.903 -7.424 -5.459 383 HB3 MET 45 3HB MET 45 -2.137 -7.246 -3.715 384 HG2 MET 45 2HG MET 45 0.371 -6.140 -5.006 385 HG3 MET 45 3HG MET 45 -1.156 -5.262 -5.168 386 HE1 MET 45 3HE MET 45 -2.565 -5.519 -1.953 387 HE2 MET 45 1HE MET 45 -2.008 -3.812 -1.920 388 HE3 MET 45 2HE MET 45 -2.587 -4.538 -3.457 389 H GLN 46 H GLN 46 2.045 -7.948 -4.045 390 HA GLN 46 HA GLN 46 1.981 -8.230 -1.118 391 HB2 GLN 46 2HB GLN 46 4.372 -8.210 -3.025 392 HB3 GLN 46 3HB GLN 46 4.402 -8.572 -1.294 393 HG2 GLN 46 2HG GLN 46 2.956 -10.232 -3.413 394 HG3 GLN 46 3HG GLN 46 4.546 -10.605 -2.733 395 HE21 GLN 46 1HE2 GLN 46 1.430 -11.508 -2.581 396 HE22 GLN 46 2HE2 GLN 46 1.312 -12.029 -0.933 397 H LEU 47 H LEU 47 2.727 -6.529 0.228 398 HA LEU 47 HA LEU 47 3.126 -3.980 -1.206 399 HB2 LEU 47 2HB LEU 47 0.816 -4.059 -0.483 400 HB3 LEU 47 3HB LEU 47 1.267 -4.672 1.113 401 HG LEU 47 HG LEU 47 2.358 -2.499 1.657 402 HD11 LEU 47 1HD1 LEU 47 2.064 -0.577 0.137 403 HD12 LEU 47 2HD1 LEU 47 3.040 -1.876 -0.626 404 HD13 LEU 47 3HD1 LEU 47 1.319 -1.657 -1.089 405 HD21 LEU 47 3HD2 LEU 47 -0.020 -2.882 2.203 406 HD22 LEU 47 1HD2 LEU 47 0.278 -1.163 1.779 407 HD23 LEU 47 2HD2 LEU 47 -0.497 -2.261 0.587 408 H TYR 48 H TYR 48 5.149 -3.239 -0.717 409 HA TYR 48 HA TYR 48 6.077 -3.683 2.048 410 HB2 TYR 48 2HB TYR 48 7.494 -4.863 0.483 411 HB3 TYR 48 3HB TYR 48 7.567 -3.472 -0.607 412 HD1 TYR 48 HD1 TYR 48 8.623 -4.700 2.763 413 HD2 TYR 48 HD2 TYR 48 9.209 -1.769 -0.318 414 HE1 TYR 48 HE1 TYR 48 10.677 -3.919 3.903 415 HE2 TYR 48 HE2 TYR 48 11.263 -0.983 0.817 416 HH TYR 48 HH TYR 48 12.760 -1.404 2.427 417 H TYR 49 H TYR 49 6.744 -1.896 3.262 418 HA TYR 49 HA TYR 49 6.716 0.691 1.836 419 HB2 TYR 49 2HB TYR 49 4.920 0.631 3.442 420 HB3 TYR 49 3HB TYR 49 5.953 -0.093 4.682 421 HD1 TYR 49 HD1 TYR 49 6.009 2.969 2.465 422 HD2 TYR 49 HD2 TYR 49 6.623 1.331 6.385 423 HE1 TYR 49 HE1 TYR 49 6.565 5.227 3.317 424 HE2 TYR 49 HE2 TYR 49 7.177 3.586 7.243 425 HH TYR 49 HH TYR 49 6.670 5.971 6.628 426 H SER 50 H SER 50 8.560 1.966 1.934 427 HA SER 50 HA SER 50 11.031 1.306 2.410 428 HB2 SER 50 2HB SER 50 10.276 3.599 1.907 429 HB3 SER 50 3HB SER 50 9.690 3.793 3.564 430 HG SER 50 HG SER 50 11.789 4.718 3.252 431 H GLY 51 H GLY 51 11.746 -0.244 3.872 432 HA2 GLY 51 2HA GLY 51 12.720 -0.567 5.971 433 HA3 GLY 51 3HA GLY 51 11.549 0.541 6.697 434 H ILE 52 H ILE 52 9.161 -0.226 6.706 435 HA ILE 52 HA ILE 52 9.268 -3.010 7.566 436 HB ILE 52 HB ILE 52 7.224 -0.780 8.033 437 HG12 ILE 52 2HG1 ILE 52 9.127 -2.159 9.981 438 HG13 ILE 52 3HG1 ILE 52 9.480 -0.620 9.185 439 HG21 ILE 52 1HG2 ILE 52 6.167 -2.344 9.631 440 HG22 ILE 52 2HG2 ILE 52 6.120 -2.974 7.949 441 HG23 ILE 52 3HG2 ILE 52 7.311 -3.631 9.121 442 HD11 ILE 52 3HD1 ILE 52 7.121 -1.165 11.046 443 HD12 ILE 52 1HD1 ILE 52 8.619 -0.264 11.457 444 HD13 ILE 52 2HD1 ILE 52 7.479 0.398 10.237 445 H GLU 53 H GLU 53 8.278 -4.647 6.401 446 HA GLU 53 HA GLU 53 6.689 -4.042 4.101 447 HB2 GLU 53 2HB GLU 53 8.135 -6.061 4.319 448 HB3 GLU 53 3HB GLU 53 7.128 -6.640 5.652 449 HG2 GLU 53 2HG GLU 53 5.172 -6.789 4.117 450 HG3 GLU 53 3HG GLU 53 6.169 -6.194 2.783 451 H LEU 54 H LEU 54 4.426 -4.098 3.848 452 HA LEU 54 HA LEU 54 3.074 -3.578 6.380 453 HB2 LEU 54 2HB LEU 54 2.181 -3.189 3.481 454 HB3 LEU 54 3HB LEU 54 1.331 -2.609 4.919 455 HG LEU 54 HG LEU 54 4.072 -1.668 3.923 456 HD11 LEU 54 1HD1 LEU 54 2.896 0.477 3.604 457 HD12 LEU 54 2HD1 LEU 54 2.153 -0.834 2.626 458 HD13 LEU 54 3HD1 LEU 54 1.359 -0.283 4.140 459 HD21 LEU 54 3HD2 LEU 54 3.988 -1.754 6.390 460 HD22 LEU 54 1HD2 LEU 54 3.959 -0.058 5.798 461 HD23 LEU 54 2HD2 LEU 54 2.445 -0.835 6.374 462 H ALA 55 H ALA 55 3.109 -6.007 6.939 463 HA ALA 55 HA ALA 55 1.570 -7.633 5.047 464 HB1 ALA 55 3HB ALA 55 3.388 -8.359 7.397 465 HB2 ALA 55 1HB ALA 55 2.585 -9.527 6.294 466 HB3 ALA 55 2HB ALA 55 3.831 -8.400 5.657 467 H ASP 56 H ASP 56 1.265 -6.043 8.160 468 HA ASP 56 HA ASP 56 -0.751 -7.965 9.052 469 HB2 ASP 56 2HB ASP 56 0.982 -7.161 10.642 470 HB3 ASP 56 3HB ASP 56 0.471 -5.490 10.367 471 H ASP 57 H ASP 57 -2.839 -7.669 8.358 472 HA ASP 57 HA ASP 57 -3.460 -5.365 6.840 473 HB2 ASP 57 2HB ASP 57 -5.084 -7.717 7.901 474 HB3 ASP 57 3HB ASP 57 -5.806 -6.430 6.926 475 H TYR 58 H TYR 58 -3.935 -6.237 10.281 476 HA TYR 58 HA TYR 58 -6.068 -4.254 10.524 477 HB2 TYR 58 2HB TYR 58 -4.909 -6.324 12.451 478 HB3 TYR 58 3HB TYR 58 -6.220 -5.208 12.854 479 HD1 TYR 58 HD1 TYR 58 -8.421 -5.380 11.622 480 HD2 TYR 58 HD2 TYR 58 -5.322 -8.317 11.177 481 HE1 TYR 58 HE1 TYR 58 -10.070 -6.977 10.698 482 HE2 TYR 58 HE2 TYR 58 -6.966 -9.919 10.253 483 HH TYR 58 HH TYR 58 -10.431 -8.996 9.885 484 H ARG 59 H ARG 59 -2.639 -4.371 10.753 485 HA ARG 59 HA ARG 59 -2.404 -2.506 12.913 486 HB2 ARG 59 2HB ARG 59 -0.614 -4.071 12.354 487 HB3 ARG 59 3HB ARG 59 -0.429 -3.317 10.765 488 HG2 ARG 59 2HG ARG 59 0.302 -1.227 11.766 489 HG3 ARG 59 3HG ARG 59 -0.068 -1.818 13.391 490 HD2 ARG 59 2HD ARG 59 1.673 -3.482 13.242 491 HD3 ARG 59 3HD ARG 59 1.985 -3.061 11.552 492 HE ARG 59 HE ARG 59 2.335 -0.724 13.087 493 HH11 ARG 59 1HH1 ARG 59 3.824 -3.893 12.783 494 HH12 ARG 59 2HH1 ARG 59 5.401 -3.320 13.214 495 HH21 ARG 59 1HH2 ARG 59 4.356 -0.007 13.653 496 HH22 ARG 59 2HH2 ARG 59 5.707 -1.089 13.715 497 H ASN 60 H ASN 60 -2.253 -0.245 12.844 498 HA ASN 60 HA ASN 60 -3.659 0.840 10.596 499 HB2 ASN 60 2HB ASN 60 -2.574 2.070 13.155 500 HB3 ASN 60 3HB ASN 60 -3.483 2.969 11.932 501 HD21 ASN 60 1HD2 ASN 60 -3.720 1.427 14.792 502 HD22 ASN 60 2HD2 ASN 60 -5.422 1.105 14.802 503 H LEU 61 H LEU 61 -2.942 2.677 9.273 504 HA LEU 61 HA LEU 61 -0.326 2.529 8.329 505 HB2 LEU 61 2HB LEU 61 -2.411 4.761 8.250 506 HB3 LEU 61 3HB LEU 61 -0.892 4.806 7.344 507 HG LEU 61 HG LEU 61 -2.988 2.598 7.016 508 HD11 LEU 61 1HD1 LEU 61 -3.626 3.770 4.941 509 HD12 LEU 61 2HD1 LEU 61 -3.932 4.784 6.392 510 HD13 LEU 61 3HD1 LEU 61 -2.505 5.112 5.352 511 HD21 LEU 61 3HD2 LEU 61 -0.680 1.989 6.382 512 HD22 LEU 61 1HD2 LEU 61 -1.729 2.150 4.933 513 HD23 LEU 61 2HD2 LEU 61 -0.570 3.457 5.352 514 H ASN 62 H ASN 62 -1.786 4.634 10.905 515 HA ASN 62 HA ASN 62 0.469 6.242 11.284 516 HB2 ASN 62 2HB ASN 62 -1.781 6.710 12.189 517 HB3 ASN 62 3HB ASN 62 -1.636 5.327 13.282 518 HD21 ASN 62 1HD2 ASN 62 -1.030 5.770 15.245 519 HD22 ASN 62 2HD2 ASN 62 -0.018 7.082 15.751 520 H GLU 63 H GLU 63 -0.403 2.967 12.570 521 HA GLU 63 HA GLU 63 1.679 2.915 14.491 522 HB2 GLU 63 2HB GLU 63 0.026 0.759 13.101 523 HB3 GLU 63 3HB GLU 63 1.225 0.396 14.349 524 HG2 GLU 63 2HG GLU 63 -0.041 1.886 15.943 525 HG3 GLU 63 3HG GLU 63 -1.268 2.132 14.694 526 H TYR 64 H TYR 64 1.524 2.199 10.981 527 HA TYR 64 HA TYR 64 4.006 0.769 10.960 528 HB2 TYR 64 2HB TYR 64 2.125 1.960 8.897 529 HB3 TYR 64 3HB TYR 64 3.739 1.425 8.412 530 HD1 TYR 64 HD1 TYR 64 4.398 -1.029 9.223 531 HD2 TYR 64 HD2 TYR 64 0.373 0.414 8.858 532 HE1 TYR 64 HE1 TYR 64 3.580 -3.361 9.048 533 HE2 TYR 64 HE2 TYR 64 -0.453 -1.912 8.686 534 HH TYR 64 HH TYR 64 0.062 -4.064 8.762 535 H GLY 65 H GLY 65 3.127 4.158 11.201 536 HA2 GLY 65 2HA GLY 65 4.592 5.921 11.354 537 HA3 GLY 65 3HA GLY 65 5.890 4.923 10.687 538 H ILE 66 H ILE 66 2.644 5.164 9.133 539 HA ILE 66 HA ILE 66 3.956 5.963 6.717 540 HB ILE 66 HB ILE 66 0.996 5.563 7.394 541 HG12 ILE 66 2HG1 ILE 66 2.378 3.527 7.666 542 HG13 ILE 66 3HG1 ILE 66 1.232 3.388 6.327 543 HG21 ILE 66 1HG2 ILE 66 0.676 5.429 4.946 544 HG22 ILE 66 2HG2 ILE 66 1.299 7.036 5.452 545 HG23 ILE 66 3HG2 ILE 66 2.408 5.839 4.701 546 HD11 ILE 66 3HD1 ILE 66 4.205 4.028 6.069 547 HD12 ILE 66 1HD1 ILE 66 3.418 2.452 5.721 548 HD13 ILE 66 2HD1 ILE 66 3.041 3.887 4.709 549 H THR 67 H THR 67 4.375 8.076 6.159 550 HA THR 67 HA THR 67 2.772 10.124 7.510 551 HB THR 67 HB THR 67 4.622 11.655 7.032 552 HG1 THR 67 HG1 THR 67 6.547 10.803 5.959 553 HG21 THR 67 3HG2 THR 67 5.644 8.977 8.098 554 HG22 THR 67 1HG2 THR 67 6.427 10.575 8.341 555 HG23 THR 67 2HG2 THR 67 4.810 10.250 9.052 556 H GLU 68 H GLU 68 2.966 12.329 5.937 557 HA GLU 68 HA GLU 68 1.064 11.839 3.966 558 HB2 GLU 68 2HB GLU 68 1.437 14.015 5.088 559 HB3 GLU 68 3HB GLU 68 3.019 14.163 4.312 560 HG2 GLU 68 2HG GLU 68 1.942 14.261 2.082 561 HG3 GLU 68 3HG GLU 68 0.351 14.043 2.823 562 H PHE 69 H PHE 69 4.625 11.616 3.844 563 HA PHE 69 HA PHE 69 4.494 11.763 0.900 564 HB2 PHE 69 2HB PHE 69 6.827 12.256 2.816 565 HB3 PHE 69 3HB PHE 69 6.896 12.375 1.053 566 HD1 PHE 69 HD1 PHE 69 5.411 14.118 -0.103 567 HD2 PHE 69 HD2 PHE 69 6.133 14.090 4.131 568 HE1 PHE 69 HE1 PHE 69 4.722 16.491 0.030 569 HE2 PHE 69 HE2 PHE 69 5.442 16.463 4.262 570 HZ PHE 69 HZ PHE 69 4.739 17.669 2.215 571 H SER 70 H SER 70 4.092 9.369 2.925 572 HA SER 70 HA SER 70 6.365 7.744 2.820 573 HB2 SER 70 2HB SER 70 3.395 7.332 3.207 574 HB3 SER 70 3HB SER 70 4.445 5.923 3.007 575 HG SER 70 HG SER 70 5.564 6.437 4.846 576 H GLU 71 H GLU 71 7.267 6.444 1.255 577 HA GLU 71 HA GLU 71 5.678 6.077 -1.203 578 HB2 GLU 71 2HB GLU 71 8.697 6.029 -0.725 579 HB3 GLU 71 3HB GLU 71 7.914 5.641 -2.262 580 HG2 GLU 71 2HG GLU 71 7.107 7.908 -2.528 581 HG3 GLU 71 3HG GLU 71 7.556 8.334 -0.871 582 H ILE 72 H ILE 72 5.072 4.015 -1.783 583 HA ILE 72 HA ILE 72 6.263 1.858 -0.175 584 HB ILE 72 HB ILE 72 4.045 0.685 -0.491 585 HG12 ILE 72 2HG1 ILE 72 3.113 3.436 -1.437 586 HG13 ILE 72 3HG1 ILE 72 3.358 2.039 -2.494 587 HG21 ILE 72 1HG2 ILE 72 2.847 2.006 1.223 588 HG22 ILE 72 2HG2 ILE 72 4.594 1.844 1.606 589 HG23 ILE 72 3HG2 ILE 72 3.961 3.384 0.934 590 HD11 ILE 72 3HD1 ILE 72 1.379 2.195 -0.176 591 HD12 ILE 72 1HD1 ILE 72 0.987 2.313 -1.925 592 HD13 ILE 72 2HD1 ILE 72 1.628 0.777 -1.249 593 H VAL 73 H VAL 73 6.795 -0.113 -1.264 594 HA VAL 73 HA VAL 73 6.614 0.080 -4.185 595 HB VAL 73 HB VAL 73 8.488 -1.553 -2.395 596 HG11 VAL 73 1HG1 VAL 73 9.644 -2.145 -4.502 597 HG12 VAL 73 2HG1 VAL 73 7.953 -2.748 -4.475 598 HG13 VAL 73 3HG1 VAL 73 8.371 -1.290 -5.436 599 HG21 VAL 73 3HG2 VAL 73 9.006 0.851 -2.405 600 HG22 VAL 73 1HG2 VAL 73 10.250 -0.073 -3.312 601 HG23 VAL 73 2HG2 VAL 73 8.998 0.859 -4.201 602 H VAL 74 H VAL 74 5.420 -1.471 -5.322 603 HA VAL 74 HA VAL 74 4.172 -3.508 -3.608 604 HB VAL 74 HB VAL 74 2.864 -1.869 -5.839 605 HG11 VAL 74 1HG1 VAL 74 0.770 -2.929 -5.050 606 HG12 VAL 74 2HG1 VAL 74 1.952 -4.144 -5.642 607 HG13 VAL 74 3HG1 VAL 74 1.713 -3.909 -3.878 608 HG21 VAL 74 3HG2 VAL 74 3.305 -0.496 -3.849 609 HG22 VAL 74 1HG2 VAL 74 1.548 -0.830 -4.018 610 HG23 VAL 74 2HG2 VAL 74 2.521 -1.731 -2.807 611 H PHE 75 H PHE 75 3.980 -5.592 -4.485 612 HA PHE 75 HA PHE 75 4.985 -5.882 -7.247 613 HB2 PHE 75 2HB PHE 75 5.263 -7.777 -4.861 614 HB3 PHE 75 3HB PHE 75 5.838 -8.097 -6.502 615 HD1 PHE 75 HD1 PHE 75 7.752 -6.824 -7.436 616 HD2 PHE 75 HD2 PHE 75 6.455 -6.286 -3.376 617 HE1 PHE 75 HE1 PHE 75 9.903 -5.729 -6.893 618 HE2 PHE 75 HE2 PHE 75 8.606 -5.189 -2.835 619 HZ PHE 75 HZ PHE 75 10.334 -4.906 -4.593 620 H LEU 76 H LEU 76 3.866 -7.292 -8.653 621 HA LEU 76 HA LEU 76 1.197 -8.034 -7.662 622 HB2 LEU 76 2HB LEU 76 2.294 -7.701 -10.497 623 HB3 LEU 76 3HB LEU 76 0.625 -8.111 -10.081 624 HG LEU 76 HG LEU 76 2.035 -5.490 -9.350 625 HD11 LEU 76 1HD1 LEU 76 0.512 -4.497 -11.019 626 HD12 LEU 76 2HD1 LEU 76 1.603 -5.714 -11.764 627 HD13 LEU 76 3HD1 LEU 76 -0.111 -6.132 -11.426 628 HD21 LEU 76 3HD2 LEU 76 0.341 -6.182 -7.693 629 HD22 LEU 76 1HD2 LEU 76 -0.227 -4.773 -8.652 630 HD23 LEU 76 2HD2 LEU 76 -0.858 -6.416 -9.009 631 H LYS 77 H LYS 77 0.504 -10.160 -7.617 632 HA LYS 77 HA LYS 77 2.318 -12.138 -8.848 633 HB2 LYS 77 2HB LYS 77 0.769 -12.323 -6.220 634 HB3 LYS 77 3HB LYS 77 1.642 -13.661 -6.977 635 HG2 LYS 77 2HG LYS 77 2.899 -11.056 -5.979 636 HG3 LYS 77 3HG LYS 77 2.939 -12.611 -5.137 637 HD2 LYS 77 2HD LYS 77 4.135 -13.624 -7.107 638 HD3 LYS 77 3HD LYS 77 4.131 -12.045 -7.903 639 HE2 LYS 77 2HE LYS 77 5.408 -11.086 -5.955 640 HE3 LYS 77 3HE LYS 77 5.452 -12.692 -5.215 641 HZ1 LYS 77 3HZ LYS 77 6.624 -11.992 -7.829 642 HZ2 LYS 77 1HZ LYS 77 7.452 -12.229 -6.442 643 HZ3 LYS 77 2HZ LYS 77 6.665 -13.474 -7.146 644 H SER 78 H SER 78 0.663 -11.590 -10.707 645 HA SER 78 HA SER 78 -1.071 -13.865 -10.775 646 HB2 SER 78 2HB SER 78 -3.157 -12.717 -11.097 647 HB3 SER 78 3HB SER 78 -2.479 -12.179 -9.555 648 HG SER 78 HG SER 78 -3.335 -10.467 -10.961 649 H ILE 79 H ILE 79 -2.081 -14.105 -12.995 650 HA ILE 79 HA ILE 79 -0.536 -12.551 -14.956 651 HB ILE 79 HB ILE 79 -1.643 -15.403 -15.111 652 HG12 ILE 79 2HG1 ILE 79 1.228 -14.364 -15.223 653 HG13 ILE 79 3HG1 ILE 79 0.464 -15.025 -13.771 654 HG21 ILE 79 1HG2 ILE 79 -0.591 -15.486 -17.347 655 HG22 ILE 79 2HG2 ILE 79 -1.892 -14.251 -17.266 656 HG23 ILE 79 3HG2 ILE 79 -0.170 -13.745 -17.209 657 HD11 ILE 79 3HD1 ILE 79 0.902 -16.522 -16.393 658 HD12 ILE 79 1HD1 ILE 79 1.856 -16.711 -14.883 659 HD13 ILE 79 2HD1 ILE 79 0.127 -17.193 -14.919 660 H ASN 80 H ASN 80 -3.720 -14.258 -14.361 661 HA ASN 80 HA ASN 80 -4.962 -13.064 -16.610 662 HB2 ASN 80 2HB ASN 80 -6.014 -14.434 -14.114 663 HB3 ASN 80 3HB ASN 80 -7.076 -13.797 -15.378 664 HD21 ASN 80 1HD2 ASN 80 -7.040 -16.449 -14.647 665 HD22 ASN 80 2HD2 ASN 80 -6.514 -17.379 -16.011 666 H ARG 81 H ARG 81 -6.750 -11.456 -16.567 667 HA ARG 81 HA ARG 81 -6.268 -9.480 -14.438 668 HB2 ARG 81 2HB ARG 81 -7.091 -9.061 -17.321 669 HB3 ARG 81 3HB ARG 81 -7.055 -7.799 -16.083 670 HG2 ARG 81 2HG ARG 81 -4.631 -8.111 -15.790 671 HG3 ARG 81 3HG ARG 81 -4.640 -9.444 -16.953 672 HD2 ARG 81 2HD ARG 81 -5.393 -7.892 -18.710 673 HD3 ARG 81 3HD ARG 81 -5.353 -6.563 -17.544 674 HE ARG 81 HE ARG 81 -2.803 -7.646 -17.475 675 HH11 ARG 81 1HH1 ARG 81 -4.860 -6.319 -19.995 676 HH12 ARG 81 2HH1 ARG 81 -3.529 -5.699 -20.915 677 HH21 ARG 81 1HH2 ARG 81 -1.107 -6.858 -18.668 678 HH22 ARG 81 2HH2 ARG 81 -1.374 -6.009 -20.154 679 H ALA 82 H ALA 82 -8.154 -8.164 -13.743 680 HA ALA 82 HA ALA 82 -10.769 -9.175 -14.489 681 HB1 ALA 82 3HB ALA 82 -9.690 -9.370 -11.635 682 HB2 ALA 82 1HB ALA 82 -11.394 -9.641 -12.133 683 HB3 ALA 82 2HB ALA 82 -10.102 -10.745 -12.714 684 H LYS 83 H LYS 83 -12.501 -7.726 -13.857 685 HA LYS 83 HA LYS 83 -11.729 -5.015 -13.786 686 HB2 LYS 83 2HB LYS 83 -13.841 -5.842 -14.766 687 HB3 LYS 83 3HB LYS 83 -14.386 -6.395 -13.177 688 HG2 LYS 83 2HG LYS 83 -14.410 -4.052 -12.352 689 HG3 LYS 83 3HG LYS 83 -13.816 -3.482 -13.917 690 HD2 LYS 83 2HD LYS 83 -15.854 -4.409 -15.033 691 HD3 LYS 83 3HD LYS 83 -16.447 -4.994 -13.473 692 HE2 LYS 83 2HE LYS 83 -16.454 -2.640 -12.603 693 HE3 LYS 83 3HE LYS 83 -15.888 -2.064 -14.177 694 HZ1 LYS 83 3HZ LYS 83 -18.431 -3.483 -13.700 695 HZ2 LYS 83 1HZ LYS 83 -18.266 -1.882 -13.971 696 HZ3 LYS 83 2HZ LYS 83 -17.908 -2.951 -15.152 697 H ASP 84 H ASP 84 -13.550 -6.929 -11.232 698 HA ASP 84 HA ASP 84 -12.783 -5.053 -9.211 699 HB2 ASP 84 2HB ASP 84 -14.895 -6.390 -9.177 700 HB3 ASP 84 3HB ASP 84 -13.947 -7.876 -9.034 Start of MODEL 4 1 H ALA 1 1H ALA 1 -11.756 6.688 6.956 2 HA ALA 1 HA ALA 1 -11.390 8.767 6.506 3 HB1 ALA 1 3HB ALA 1 -14.414 8.848 6.950 4 HB2 ALA 1 1HB ALA 1 -13.457 10.056 6.029 5 HB3 ALA 1 2HB ALA 1 -13.573 8.364 5.439 6 H ALA 2 H ALA 2 -10.356 10.333 7.659 7 HA ALA 2 HA ALA 2 -11.833 11.632 9.808 8 HB1 ALA 2 3HB ALA 2 -9.081 10.348 10.178 9 HB2 ALA 2 1HB ALA 2 -9.897 11.434 11.353 10 HB3 ALA 2 2HB ALA 2 -10.611 9.832 10.964 11 H VAL 3 H VAL 3 -10.303 13.536 10.705 12 HA VAL 3 HA VAL 3 -9.838 15.181 8.490 13 HB VAL 3 HB VAL 3 -10.442 15.888 10.863 14 HG11 VAL 3 1HG1 VAL 3 -8.573 16.235 12.451 15 HG12 VAL 3 2HG1 VAL 3 -8.808 14.497 12.064 16 HG13 VAL 3 3HG1 VAL 3 -7.457 15.411 11.311 17 HG21 VAL 3 3HG2 VAL 3 -9.728 17.509 9.160 18 HG22 VAL 3 1HG2 VAL 3 -9.103 17.968 10.781 19 HG23 VAL 3 2HG2 VAL 3 -8.007 17.209 9.578 20 H ARG 4 H ARG 4 -7.853 12.698 9.935 21 HA ARG 4 HA ARG 4 -5.374 14.127 9.398 22 HB2 ARG 4 2HB ARG 4 -5.867 11.411 10.645 23 HB3 ARG 4 3HB ARG 4 -4.294 12.198 10.460 24 HG2 ARG 4 2HG ARG 4 -5.116 14.095 11.884 25 HG3 ARG 4 3HG ARG 4 -6.637 13.225 12.120 26 HD2 ARG 4 2HD ARG 4 -5.392 11.357 13.139 27 HD3 ARG 4 3HD ARG 4 -3.888 12.264 12.936 28 HE ARG 4 HE ARG 4 -5.689 13.882 14.391 29 HH11 ARG 4 1HH1 ARG 4 -3.950 10.856 14.807 30 HH12 ARG 4 2HH1 ARG 4 -3.809 11.042 16.523 31 HH21 ARG 4 1HH2 ARG 4 -5.509 14.101 16.591 32 HH22 ARG 4 2HH2 ARG 4 -4.703 12.904 17.549 33 H LYS 5 H LYS 5 -5.590 14.196 7.013 34 HA LYS 5 HA LYS 5 -5.762 11.576 5.718 35 HB2 LYS 5 2HB LYS 5 -7.300 13.421 5.040 36 HB3 LYS 5 3HB LYS 5 -5.906 14.421 4.611 37 HG2 LYS 5 2HG LYS 5 -5.253 12.802 2.851 38 HG3 LYS 5 3HG LYS 5 -6.589 11.737 3.307 39 HD2 LYS 5 2HD LYS 5 -8.220 13.570 2.763 40 HD3 LYS 5 3HD LYS 5 -6.875 14.612 2.279 41 HE2 LYS 5 2HE LYS 5 -6.219 12.957 0.523 42 HE3 LYS 5 3HE LYS 5 -7.551 11.903 1.013 43 HZ1 LYS 5 3HZ LYS 5 -7.850 14.642 -0.043 44 HZ2 LYS 5 1HZ LYS 5 -8.144 13.263 -0.866 45 HZ3 LYS 5 2HZ LYS 5 -9.080 13.668 0.409 46 H ILE 6 H ILE 6 -4.133 10.740 4.361 47 HA ILE 6 HA ILE 6 -1.776 12.439 4.003 48 HB ILE 6 HB ILE 6 -0.319 10.447 4.437 49 HG12 ILE 6 2HG1 ILE 6 -2.856 9.185 5.573 50 HG13 ILE 6 3HG1 ILE 6 -2.150 8.759 4.009 51 HG21 ILE 6 1HG2 ILE 6 -0.508 10.502 6.903 52 HG22 ILE 6 2HG2 ILE 6 -0.669 12.140 6.183 53 HG23 ILE 6 3HG2 ILE 6 -2.128 11.264 6.758 54 HD11 ILE 6 3HD1 ILE 6 -0.780 8.470 6.721 55 HD12 ILE 6 1HD1 ILE 6 -1.499 7.147 5.741 56 HD13 ILE 6 2HD1 ILE 6 -0.063 8.037 5.132 57 H HIS 7 H HIS 7 -0.523 11.925 2.067 58 HA HIS 7 HA HIS 7 -2.025 10.325 0.128 59 HB2 HIS 7 2HB HIS 7 0.384 12.187 -0.180 60 HB3 HIS 7 3HB HIS 7 -0.434 11.349 -1.504 61 HD2 HIS 7 HD2 HIS 7 -0.782 14.587 0.582 62 HE1 HIS 7 HE1 HIS 7 -4.295 14.246 -1.839 63 H VAL 8 H VAL 8 -1.308 8.339 -0.632 64 HA VAL 8 HA VAL 8 1.431 7.597 0.132 65 HB VAL 8 HB VAL 8 -1.051 5.876 -0.351 66 HG11 VAL 8 1HG1 VAL 8 0.408 3.932 0.120 67 HG12 VAL 8 2HG1 VAL 8 0.916 4.805 -1.365 68 HG13 VAL 8 3HG1 VAL 8 1.836 5.020 0.162 69 HG21 VAL 8 3HG2 VAL 8 -0.929 6.922 1.870 70 HG22 VAL 8 1HG2 VAL 8 -0.654 5.150 1.982 71 HG23 VAL 8 2HG2 VAL 8 0.735 6.283 2.093 72 H THR 9 H THR 9 2.883 7.280 -1.550 73 HA THR 9 HA THR 9 1.822 7.131 -4.243 74 HB THR 9 HB THR 9 4.691 7.165 -3.166 75 HG1 THR 9 HG1 THR 9 4.611 9.362 -4.036 76 HG21 THR 9 3HG2 THR 9 3.624 7.412 -6.021 77 HG22 THR 9 1HG2 THR 9 5.334 7.619 -5.514 78 HG23 THR 9 2HG2 THR 9 4.536 6.020 -5.346 79 H VAL 10 H VAL 10 1.323 5.164 -5.162 80 HA VAL 10 HA VAL 10 2.473 2.801 -3.882 81 HB VAL 10 HB VAL 10 0.083 3.140 -5.767 82 HG11 VAL 10 1HG1 VAL 10 -0.411 0.774 -5.226 83 HG12 VAL 10 2HG1 VAL 10 1.167 0.953 -6.064 84 HG13 VAL 10 3HG1 VAL 10 1.119 0.674 -4.291 85 HG21 VAL 10 3HG2 VAL 10 -0.307 4.076 -3.530 86 HG22 VAL 10 1HG2 VAL 10 -1.260 2.572 -3.769 87 HG23 VAL 10 2HG2 VAL 10 0.238 2.538 -2.778 88 H LYS 11 H LYS 11 4.132 1.727 -4.911 89 HA LYS 11 HA LYS 11 4.596 2.459 -7.724 90 HB2 LYS 11 2HB LYS 11 6.357 3.065 -6.085 91 HB3 LYS 11 3HB LYS 11 6.465 1.380 -5.559 92 HG2 LYS 11 2HG LYS 11 7.185 0.729 -7.880 93 HG3 LYS 11 3HG LYS 11 7.138 2.433 -8.352 94 HD2 LYS 11 2HD LYS 11 8.828 2.970 -6.584 95 HD3 LYS 11 3HD LYS 11 8.872 1.268 -6.107 96 HE2 LYS 11 2HE LYS 11 9.651 0.634 -8.390 97 HE3 LYS 11 3HE LYS 11 9.577 2.327 -8.895 98 HZ1 LYS 11 3HZ LYS 11 11.312 1.265 -6.757 99 HZ2 LYS 11 1HZ LYS 11 11.795 1.692 -8.257 100 HZ3 LYS 11 2HZ LYS 11 11.243 2.829 -7.223 101 H PHE 12 H PHE 12 3.991 0.910 -9.220 102 HA PHE 12 HA PHE 12 4.599 -1.878 -8.498 103 HB2 PHE 12 2HB PHE 12 3.006 -0.631 -10.789 104 HB3 PHE 12 3HB PHE 12 3.390 -2.354 -10.676 105 HD1 PHE 12 HD1 PHE 12 1.448 0.422 -9.183 106 HD2 PHE 12 HD2 PHE 12 2.258 -3.796 -9.090 107 HE1 PHE 12 HE1 PHE 12 -0.561 0.065 -7.779 108 HE2 PHE 12 HE2 PHE 12 0.247 -4.152 -7.692 109 HZ PHE 12 HZ PHE 12 -1.165 -2.220 -7.034 110 HA PRO 13 HA PRO 13 8.222 -2.025 -11.031 111 HB2 PRO 13 2HB PRO 13 7.735 -4.399 -12.469 112 HB3 PRO 13 3HB PRO 13 8.312 -4.397 -10.797 113 HG2 PRO 13 2HG PRO 13 5.474 -4.686 -11.835 114 HG3 PRO 13 3HG PRO 13 6.294 -5.611 -10.570 115 HD2 PRO 13 2HD PRO 13 4.587 -3.643 -9.874 116 HD3 PRO 13 3HD PRO 13 6.088 -3.845 -8.961 117 H SER 14 H SER 14 5.044 -2.284 -12.662 118 HA SER 14 HA SER 14 6.383 -1.432 -15.143 119 HB2 SER 14 2HB SER 14 4.311 -2.149 -16.234 120 HB3 SER 14 3HB SER 14 4.996 -3.463 -15.269 121 HG SER 14 HG SER 14 2.710 -3.244 -14.973 122 H LYS 15 H LYS 15 4.293 -0.319 -12.509 123 HA LYS 15 HA LYS 15 3.710 2.123 -13.998 124 HB2 LYS 15 2HB LYS 15 1.612 0.211 -12.870 125 HB3 LYS 15 3HB LYS 15 1.278 1.894 -13.298 126 HG2 LYS 15 2HG LYS 15 1.971 1.409 -15.663 127 HG3 LYS 15 3HG LYS 15 2.241 -0.282 -15.222 128 HD2 LYS 15 2HD LYS 15 -0.146 -0.506 -14.546 129 HD3 LYS 15 3HD LYS 15 -0.428 1.198 -14.927 130 HE2 LYS 15 2HE LYS 15 0.266 0.745 -17.313 131 HE3 LYS 15 3HE LYS 15 0.447 -0.968 -16.911 132 HZ1 LYS 15 3HZ LYS 15 -2.080 0.487 -16.503 133 HZ2 LYS 15 1HZ LYS 15 -1.725 -0.295 -17.892 134 HZ3 LYS 15 2HZ LYS 15 -1.846 -1.129 -16.493 135 H GLN 16 H GLN 16 2.836 3.864 -12.556 136 HA GLN 16 HA GLN 16 3.044 3.208 -9.696 137 HB2 GLN 16 2HB GLN 16 4.194 5.660 -11.121 138 HB3 GLN 16 3HB GLN 16 4.056 5.492 -9.366 139 HG2 GLN 16 2HG GLN 16 5.550 3.485 -9.458 140 HG3 GLN 16 3HG GLN 16 5.713 3.703 -11.205 141 HE21 GLN 16 1HE2 GLN 16 8.033 3.703 -10.025 142 HE22 GLN 16 2HE2 GLN 16 8.696 5.287 -9.797 143 H PHE 17 H PHE 17 1.624 4.459 -8.320 144 HA PHE 17 HA PHE 17 -0.255 6.219 -9.723 145 HB2 PHE 17 2HB PHE 17 -1.093 3.901 -7.915 146 HB3 PHE 17 3HB PHE 17 -2.166 5.075 -8.688 147 HD1 PHE 17 HD1 PHE 17 -2.432 5.069 -11.184 148 HD2 PHE 17 HD2 PHE 17 -0.242 2.008 -9.110 149 HE1 PHE 17 HE1 PHE 17 -2.611 3.599 -13.165 150 HE2 PHE 17 HE2 PHE 17 -0.420 0.539 -11.096 151 HZ PHE 17 HZ PHE 17 -1.603 1.331 -13.127 152 H THR 18 H THR 18 -1.332 7.756 -8.297 153 HA THR 18 HA THR 18 -0.219 7.802 -5.591 154 HB THR 18 HB THR 18 -1.768 9.911 -7.184 155 HG1 THR 18 HG1 THR 18 0.332 10.996 -7.095 156 HG21 THR 18 3HG2 THR 18 -0.478 10.056 -4.416 157 HG22 THR 18 1HG2 THR 18 -1.208 11.431 -5.311 158 HG23 THR 18 2HG2 THR 18 -2.239 10.065 -4.768 159 H VAL 19 H VAL 19 -1.540 7.488 -3.772 160 HA VAL 19 HA VAL 19 -4.403 7.161 -4.336 161 HB VAL 19 HB VAL 19 -2.630 5.414 -2.550 162 HG11 VAL 19 1HG1 VAL 19 -4.687 4.090 -2.171 163 HG12 VAL 19 2HG1 VAL 19 -4.853 5.771 -1.562 164 HG13 VAL 19 3HG1 VAL 19 -5.631 5.295 -3.109 165 HG21 VAL 19 3HG2 VAL 19 -2.363 4.927 -4.944 166 HG22 VAL 19 1HG2 VAL 19 -3.252 3.603 -4.118 167 HG23 VAL 19 2HG2 VAL 19 -4.144 4.790 -5.128 168 H GLU 20 H GLU 20 -5.845 7.834 -2.639 169 HA GLU 20 HA GLU 20 -4.489 9.538 -0.652 170 HB2 GLU 20 2HB GLU 20 -7.254 9.699 -1.944 171 HB3 GLU 20 3HB GLU 20 -6.711 10.741 -0.621 172 HG2 GLU 20 2HG GLU 20 -4.871 11.614 -2.067 173 HG3 GLU 20 3HG GLU 20 -5.421 10.577 -3.390 174 H VAL 21 H VAL 21 -4.601 8.899 1.466 175 HA VAL 21 HA VAL 21 -6.841 7.175 2.218 176 HB VAL 21 HB VAL 21 -5.251 5.681 3.442 177 HG11 VAL 21 1HG1 VAL 21 -4.414 4.467 1.452 178 HG12 VAL 21 2HG1 VAL 21 -6.103 5.035 1.227 179 HG13 VAL 21 3HG1 VAL 21 -4.748 5.911 0.437 180 HG21 VAL 21 3HG2 VAL 21 -3.376 7.253 3.677 181 HG22 VAL 21 1HG2 VAL 21 -2.846 5.742 2.863 182 HG23 VAL 21 2HG2 VAL 21 -3.120 7.233 1.900 183 H ASP 22 H ASP 22 -6.528 6.710 4.805 184 HA ASP 22 HA ASP 22 -5.805 9.314 5.995 185 HB2 ASP 22 2HB ASP 22 -8.274 8.608 5.969 186 HB3 ASP 22 3HB ASP 22 -7.822 7.274 7.038 187 H ARG 23 H ARG 23 -4.502 9.324 7.870 188 HA ARG 23 HA ARG 23 -2.713 7.140 7.936 189 HB2 ARG 23 2HB ARG 23 -1.452 8.379 9.474 190 HB3 ARG 23 3HB ARG 23 -2.110 9.524 8.298 191 HG2 ARG 23 2HG ARG 23 -3.958 10.033 9.984 192 HG3 ARG 23 3HG ARG 23 -3.058 9.059 11.154 193 HD2 ARG 23 2HD ARG 23 -2.017 11.515 9.727 194 HD3 ARG 23 3HD ARG 23 -2.672 11.475 11.369 195 HE ARG 23 HE ARG 23 -0.675 9.668 11.561 196 HH11 ARG 23 1HH1 ARG 23 -0.702 12.868 10.108 197 HH12 ARG 23 2HH1 ARG 23 0.958 13.181 10.492 198 HH21 ARG 23 1HH2 ARG 23 1.451 10.078 12.036 199 HH22 ARG 23 2HH2 ARG 23 2.196 11.580 11.598 200 H THR 24 H THR 24 -5.729 7.765 9.609 201 HA THR 24 HA THR 24 -4.961 6.119 11.869 202 HB THR 24 HB THR 24 -7.178 6.663 12.750 203 HG1 THR 24 HG1 THR 24 -7.611 8.046 10.224 204 HG21 THR 24 3HG2 THR 24 -5.865 9.100 11.451 205 HG22 THR 24 1HG2 THR 24 -7.012 9.134 12.832 206 HG23 THR 24 2HG2 THR 24 -5.404 8.356 13.019 207 H GLU 25 H GLU 25 -6.266 5.682 8.674 208 HA GLU 25 HA GLU 25 -7.716 3.270 9.380 209 HB2 GLU 25 2HB GLU 25 -6.957 4.601 6.739 210 HB3 GLU 25 3HB GLU 25 -7.840 3.072 6.846 211 HG2 GLU 25 2HG GLU 25 -9.657 4.237 8.128 212 HG3 GLU 25 3HG GLU 25 -8.781 5.763 7.954 213 H THR 26 H THR 26 -7.119 1.133 8.385 214 HA THR 26 HA THR 26 -4.301 0.715 8.818 215 HB THR 26 HB THR 26 -4.884 -1.686 8.643 216 HG1 THR 26 HG1 THR 26 -7.258 -2.142 8.419 217 HG21 THR 26 3HG2 THR 26 -6.872 -0.082 10.328 218 HG22 THR 26 1HG2 THR 26 -6.441 -1.809 10.569 219 HG23 THR 26 2HG2 THR 26 -5.200 -0.532 10.804 220 H VAL 27 H VAL 27 -3.284 -1.102 7.226 221 HA VAL 27 HA VAL 27 -3.009 0.253 4.776 222 HB VAL 27 HB VAL 27 -1.587 -1.718 4.152 223 HG11 VAL 27 1HG1 VAL 27 0.100 -1.415 5.940 224 HG12 VAL 27 2HG1 VAL 27 -0.635 0.146 5.443 225 HG13 VAL 27 3HG1 VAL 27 -1.144 -0.638 6.976 226 HG21 VAL 27 3HG2 VAL 27 -2.906 -3.481 5.241 227 HG22 VAL 27 1HG2 VAL 27 -1.207 -3.502 5.823 228 HG23 VAL 27 2HG2 VAL 27 -2.500 -2.804 6.855 229 H SER 28 H SER 28 -5.265 -2.221 5.889 230 HA SER 28 HA SER 28 -5.639 -3.583 3.446 231 HB2 SER 28 2HB SER 28 -7.601 -4.481 4.516 232 HB3 SER 28 3HB SER 28 -6.316 -4.375 5.726 233 HG SER 28 HG SER 28 -7.265 -2.486 6.566 234 H SER 29 H SER 29 -7.001 -0.523 4.778 235 HA SER 29 HA SER 29 -8.955 -0.184 2.755 236 HB2 SER 29 2HB SER 29 -8.933 1.069 4.873 237 HB3 SER 29 3HB SER 29 -7.382 1.805 4.451 238 HG SER 29 HG SER 29 -9.023 3.254 3.926 239 H LEU 30 H LEU 30 -5.451 0.779 3.006 240 HA LEU 30 HA LEU 30 -5.337 2.100 0.533 241 HB2 LEU 30 2HB LEU 30 -3.582 2.295 2.212 242 HB3 LEU 30 3HB LEU 30 -3.279 0.553 2.176 243 HG LEU 30 HG LEU 30 -2.447 0.742 -0.174 244 HD11 LEU 30 1HD1 LEU 30 -2.056 2.977 -1.140 245 HD12 LEU 30 2HD1 LEU 30 -3.804 2.674 -0.865 246 HD13 LEU 30 3HD1 LEU 30 -2.888 3.731 0.261 247 HD21 LEU 30 3HD2 LEU 30 -0.894 0.904 1.738 248 HD22 LEU 30 1HD2 LEU 30 -0.362 1.952 0.380 249 HD23 LEU 30 2HD2 LEU 30 -1.164 2.678 1.813 250 H LYS 31 H LYS 31 -5.063 -1.407 1.414 251 HA LYS 31 HA LYS 31 -4.129 -2.251 -1.101 252 HB2 LYS 31 2HB LYS 31 -5.665 -3.613 1.152 253 HB3 LYS 31 3HB LYS 31 -5.154 -4.474 -0.305 254 HG2 LYS 31 2HG LYS 31 -2.776 -3.908 0.190 255 HG3 LYS 31 3HG LYS 31 -3.284 -3.039 1.644 256 HD2 LYS 31 2HD LYS 31 -4.270 -5.136 2.569 257 HD3 LYS 31 3HD LYS 31 -3.801 -6.012 1.105 258 HE2 LYS 31 2HE LYS 31 -1.396 -5.471 1.559 259 HE3 LYS 31 3HE LYS 31 -1.871 -4.611 3.030 260 HZ1 LYS 31 3HZ LYS 31 -2.574 -7.434 2.601 261 HZ2 LYS 31 1HZ LYS 31 -1.155 -6.990 3.275 262 HZ3 LYS 31 2HZ LYS 31 -2.562 -6.600 4.005 263 H ASP 32 H ASP 32 -7.488 -1.855 0.249 264 HA ASP 32 HA ASP 32 -8.849 -2.952 -1.920 265 HB2 ASP 32 2HB ASP 32 -9.524 -0.759 0.087 266 HB3 ASP 32 3HB ASP 32 -10.679 -1.307 -1.135 267 H LYS 33 H LYS 33 -7.658 0.447 -1.362 268 HA LYS 33 HA LYS 33 -8.822 1.459 -3.733 269 HB2 LYS 33 2HB LYS 33 -6.523 2.382 -1.950 270 HB3 LYS 33 3HB LYS 33 -7.096 3.309 -3.343 271 HG2 LYS 33 2HG LYS 33 -9.342 3.508 -2.322 272 HG3 LYS 33 3HG LYS 33 -8.831 2.511 -0.953 273 HD2 LYS 33 2HD LYS 33 -7.014 4.225 -0.464 274 HD3 LYS 33 3HD LYS 33 -7.688 5.242 -1.744 275 HE2 LYS 33 2HE LYS 33 -9.293 4.239 0.664 276 HE3 LYS 33 3HE LYS 33 -8.483 5.810 0.604 277 HZ1 LYS 33 3HZ LYS 33 -10.601 4.907 -1.243 278 HZ2 LYS 33 1HZ LYS 33 -10.778 5.991 -0.034 279 HZ3 LYS 33 2HZ LYS 33 -9.842 6.350 -1.323 280 H ILE 34 H ILE 34 -5.543 0.082 -2.959 281 HA ILE 34 HA ILE 34 -4.411 0.574 -5.449 282 HB ILE 34 HB ILE 34 -3.986 -1.624 -3.373 283 HG12 ILE 34 2HG1 ILE 34 -2.239 0.748 -4.177 284 HG13 ILE 34 3HG1 ILE 34 -3.422 0.807 -2.864 285 HG21 ILE 34 1HG2 ILE 34 -1.896 -2.180 -4.571 286 HG22 ILE 34 2HG2 ILE 34 -3.349 -2.510 -5.573 287 HG23 ILE 34 3HG2 ILE 34 -2.354 -1.049 -5.888 288 HD11 ILE 34 3HD1 ILE 34 -1.030 -1.079 -3.024 289 HD12 ILE 34 1HD1 ILE 34 -1.164 0.392 -2.002 290 HD13 ILE 34 2HD1 ILE 34 -2.232 -1.019 -1.691 291 H HIS 35 H HIS 35 -6.579 -2.090 -4.288 292 HA HIS 35 HA HIS 35 -6.251 -3.701 -6.596 293 HB2 HIS 35 2HB HIS 35 -7.072 -4.612 -4.479 294 HB3 HIS 35 3HB HIS 35 -8.450 -3.505 -4.482 295 HD2 HIS 35 HD2 HIS 35 -10.703 -4.738 -5.398 296 HE1 HIS 35 HE1 HIS 35 -8.824 -7.641 -7.921 297 H ILE 36 H ILE 36 -8.486 -0.989 -5.726 298 HA ILE 36 HA ILE 36 -10.179 -1.355 -7.948 299 HB ILE 36 HB ILE 36 -9.535 1.046 -6.171 300 HG12 ILE 36 2HG1 ILE 36 -12.063 -0.649 -6.389 301 HG13 ILE 36 3HG1 ILE 36 -10.751 -1.009 -5.259 302 HG21 ILE 36 1HG2 ILE 36 -11.511 2.147 -7.171 303 HG22 ILE 36 2HG2 ILE 36 -10.217 1.868 -8.385 304 HG23 ILE 36 3HG2 ILE 36 -11.661 0.801 -8.350 305 HD11 ILE 36 3HD1 ILE 36 -12.376 1.572 -5.337 306 HD12 ILE 36 1HD1 ILE 36 -12.553 0.234 -4.153 307 HD13 ILE 36 2HD1 ILE 36 -11.043 1.206 -4.190 308 H VAL 37 H VAL 37 -7.171 0.627 -7.398 309 HA VAL 37 HA VAL 37 -7.502 2.024 -9.854 310 HB VAL 37 HB VAL 37 -5.165 1.742 -7.900 311 HG11 VAL 37 1HG1 VAL 37 -4.139 3.648 -9.098 312 HG12 VAL 37 2HG1 VAL 37 -4.301 2.204 -10.153 313 HG13 VAL 37 3HG1 VAL 37 -5.447 3.575 -10.326 314 HG21 VAL 37 3HG2 VAL 37 -7.130 2.928 -7.020 315 HG22 VAL 37 1HG2 VAL 37 -5.767 4.065 -7.294 316 HG23 VAL 37 2HG2 VAL 37 -7.136 4.008 -8.455 317 H GLU 38 H GLU 38 -5.274 -0.645 -8.706 318 HA GLU 38 HA GLU 38 -4.307 -0.892 -11.462 319 HB2 GLU 38 2HB GLU 38 -2.648 -0.690 -9.635 320 HB3 GLU 38 3HB GLU 38 -3.351 -2.093 -8.819 321 HG2 GLU 38 2HG GLU 38 -1.303 -2.727 -10.012 322 HG3 GLU 38 3HG GLU 38 -2.703 -3.553 -10.711 323 H ASN 39 H ASN 39 -4.403 -2.893 -12.626 324 HA ASN 39 HA ASN 39 -6.676 -4.502 -11.847 325 HB2 ASN 39 2HB ASN 39 -4.875 -4.448 -14.293 326 HB3 ASN 39 3HB ASN 39 -6.165 -5.636 -14.062 327 HD21 ASN 39 1HD2 ASN 39 -5.930 -3.732 -16.155 328 HD22 ASN 39 2HD2 ASN 39 -7.366 -2.765 -16.101 329 H THR 40 H THR 40 -5.513 -5.358 -9.836 330 HA THR 40 HA THR 40 -4.445 -7.927 -10.565 331 HB THR 40 HB THR 40 -2.379 -6.559 -10.482 332 HG1 THR 40 HG1 THR 40 -1.449 -7.764 -8.506 333 HG21 THR 40 3HG2 THR 40 -3.254 -5.943 -7.616 334 HG22 THR 40 1HG2 THR 40 -1.674 -5.509 -8.350 335 HG23 THR 40 2HG2 THR 40 -3.187 -4.774 -8.979 336 HA PRO 41 HA PRO 41 -6.925 -8.923 -6.992 337 HB2 PRO 41 2HB PRO 41 -5.069 -11.330 -6.880 338 HB3 PRO 41 3HB PRO 41 -6.835 -11.308 -6.966 339 HG2 PRO 41 2HG PRO 41 -5.432 -11.982 -9.132 340 HG3 PRO 41 3HG PRO 41 -6.855 -10.946 -9.309 341 HD2 PRO 41 2HD PRO 41 -3.911 -10.153 -9.316 342 HD3 PRO 41 3HD PRO 41 -5.214 -9.584 -10.368 343 H ILE 42 H ILE 42 -6.891 -8.702 -4.802 344 HA ILE 42 HA ILE 42 -4.680 -7.449 -3.690 345 HB ILE 42 HB ILE 42 -7.072 -8.893 -2.451 346 HG12 ILE 42 2HG1 ILE 42 -6.400 -5.921 -2.671 347 HG13 ILE 42 3HG1 ILE 42 -7.406 -6.793 -3.836 348 HG21 ILE 42 1HG2 ILE 42 -6.482 -7.778 -0.327 349 HG22 ILE 42 2HG2 ILE 42 -5.216 -8.941 -0.846 350 HG23 ILE 42 3HG2 ILE 42 -4.960 -7.177 -1.069 351 HD11 ILE 42 3HD1 ILE 42 -7.998 -6.471 -0.860 352 HD12 ILE 42 1HD1 ILE 42 -8.785 -5.582 -2.207 353 HD13 ILE 42 2HD1 ILE 42 -9.019 -7.355 -2.042 354 H LYS 43 H LYS 43 -5.610 -10.934 -3.825 355 HA LYS 43 HA LYS 43 -3.764 -11.724 -1.799 356 HB2 LYS 43 2HB LYS 43 -5.290 -13.225 -3.975 357 HB3 LYS 43 3HB LYS 43 -4.253 -14.025 -2.786 358 HG2 LYS 43 2HG LYS 43 -5.673 -13.132 -0.942 359 HG3 LYS 43 3HG LYS 43 -6.707 -12.322 -2.126 360 HD2 LYS 43 2HD LYS 43 -7.260 -14.528 -3.162 361 HD3 LYS 43 3HD LYS 43 -6.213 -15.344 -1.993 362 HE2 LYS 43 2HE LYS 43 -7.624 -14.482 -0.119 363 HE3 LYS 43 3HE LYS 43 -8.664 -13.648 -1.280 364 HZ1 LYS 43 3HZ LYS 43 -8.252 -16.567 -1.157 365 HZ2 LYS 43 1HZ LYS 43 -9.577 -15.766 -0.637 366 HZ3 LYS 43 2HZ LYS 43 -9.213 -15.797 -2.229 367 H ARG 44 H ARG 44 -3.500 -10.985 -5.253 368 HA ARG 44 HA ARG 44 -1.128 -12.655 -5.504 369 HB2 ARG 44 2HB ARG 44 -2.590 -10.962 -7.548 370 HB3 ARG 44 3HB ARG 44 -1.184 -11.985 -7.868 371 HG2 ARG 44 2HG ARG 44 -3.862 -12.991 -6.811 372 HG3 ARG 44 3HG ARG 44 -3.380 -13.004 -8.513 373 HD2 ARG 44 2HD ARG 44 -1.511 -14.482 -7.995 374 HD3 ARG 44 3HD ARG 44 -1.931 -14.437 -6.277 375 HE ARG 44 HE ARG 44 -4.168 -15.340 -7.818 376 HH11 ARG 44 1HH1 ARG 44 -1.019 -16.416 -6.687 377 HH12 ARG 44 2HH1 ARG 44 -1.480 -18.085 -6.638 378 HH21 ARG 44 1HH2 ARG 44 -4.739 -17.482 -7.761 379 HH22 ARG 44 2HH2 ARG 44 -3.614 -18.698 -7.255 380 H MET 45 H MET 45 -2.066 -9.242 -5.054 381 HA MET 45 HA MET 45 0.658 -8.362 -5.614 382 HB2 MET 45 2HB MET 45 -0.220 -6.148 -5.243 383 HB3 MET 45 3HB MET 45 -1.331 -7.022 -6.307 384 HG2 MET 45 2HG MET 45 -2.808 -7.492 -4.328 385 HG3 MET 45 3HG MET 45 -1.716 -6.541 -3.313 386 HE1 MET 45 3HE MET 45 -3.268 -3.847 -2.814 387 HE2 MET 45 1HE MET 45 -4.829 -4.475 -3.443 388 HE3 MET 45 2HE MET 45 -3.708 -5.571 -2.567 389 H GLN 46 H GLN 46 2.218 -7.963 -4.062 390 HA GLN 46 HA GLN 46 1.345 -8.265 -1.262 391 HB2 GLN 46 2HB GLN 46 4.067 -8.677 -2.597 392 HB3 GLN 46 3HB GLN 46 3.782 -8.767 -0.854 393 HG2 GLN 46 2HG GLN 46 2.233 -10.671 -1.187 394 HG3 GLN 46 3HG GLN 46 2.460 -10.567 -2.938 395 HE21 GLN 46 1HE2 GLN 46 3.052 -12.921 -2.345 396 HE22 GLN 46 2HE2 GLN 46 4.732 -13.238 -2.064 397 H LEU 47 H LEU 47 1.624 -6.548 0.156 398 HA LEU 47 HA LEU 47 2.712 -4.111 -1.105 399 HB2 LEU 47 2HB LEU 47 0.252 -4.167 -0.632 400 HB3 LEU 47 3HB LEU 47 0.599 -4.460 1.077 401 HG LEU 47 HG LEU 47 1.849 -2.235 1.124 402 HD11 LEU 47 1HD1 LEU 47 1.362 -0.642 -0.699 403 HD12 LEU 47 2HD1 LEU 47 2.289 -2.061 -1.293 404 HD13 LEU 47 3HD1 LEU 47 0.525 -1.942 -1.613 405 HD21 LEU 47 3HD2 LEU 47 -0.453 -2.509 1.973 406 HD22 LEU 47 1HD2 LEU 47 -0.236 -0.904 1.196 407 HD23 LEU 47 2HD2 LEU 47 -1.102 -2.214 0.324 408 H TYR 48 H TYR 48 4.655 -3.452 -0.301 409 HA TYR 48 HA TYR 48 5.132 -3.876 2.567 410 HB2 TYR 48 2HB TYR 48 7.373 -4.695 2.126 411 HB3 TYR 48 3HB TYR 48 6.206 -5.734 1.298 412 HD1 TYR 48 HD1 TYR 48 5.990 -5.670 -1.172 413 HD2 TYR 48 HD2 TYR 48 8.940 -3.313 0.872 414 HE1 TYR 48 HE1 TYR 48 7.190 -5.322 -3.309 415 HE2 TYR 48 HE2 TYR 48 10.146 -2.965 -1.260 416 HH TYR 48 HH TYR 48 8.919 -4.402 -4.329 417 H TYR 49 H TYR 49 7.103 -2.521 3.321 418 HA TYR 49 HA TYR 49 7.134 0.009 1.841 419 HB2 TYR 49 2HB TYR 49 5.176 0.226 3.246 420 HB3 TYR 49 3HB TYR 49 6.016 -0.461 4.643 421 HD1 TYR 49 HD1 TYR 49 6.551 2.373 2.200 422 HD2 TYR 49 HD2 TYR 49 6.647 1.051 6.282 423 HE1 TYR 49 HE1 TYR 49 7.215 4.648 2.915 424 HE2 TYR 49 HE2 TYR 49 7.310 3.324 7.005 425 HH TYR 49 HH TYR 49 7.777 5.395 6.395 426 H SER 50 H SER 50 9.090 1.083 2.031 427 HA SER 50 HA SER 50 11.372 0.073 3.000 428 HB2 SER 50 2HB SER 50 11.167 2.197 1.768 429 HB3 SER 50 3HB SER 50 10.409 2.965 3.169 430 HG SER 50 HG SER 50 12.670 3.433 3.019 431 H GLY 51 H GLY 51 12.388 -0.345 4.960 432 HA2 GLY 51 2HA GLY 51 12.656 -0.326 7.230 433 HA3 GLY 51 3HA GLY 51 11.241 0.720 7.404 434 H ILE 52 H ILE 52 9.162 -0.203 7.767 435 HA ILE 52 HA ILE 52 9.279 -3.034 8.422 436 HB ILE 52 HB ILE 52 7.201 -0.858 8.990 437 HG12 ILE 52 2HG1 ILE 52 9.091 -2.344 10.875 438 HG13 ILE 52 3HG1 ILE 52 9.432 -0.748 10.193 439 HG21 ILE 52 1HG2 ILE 52 6.131 -2.531 10.465 440 HG22 ILE 52 2HG2 ILE 52 6.121 -3.053 8.746 441 HG23 ILE 52 3HG2 ILE 52 7.297 -3.773 9.897 442 HD11 ILE 52 3HD1 ILE 52 7.054 -1.456 11.972 443 HD12 ILE 52 1HD1 ILE 52 8.531 -0.563 12.469 444 HD13 ILE 52 2HD1 ILE 52 7.400 0.165 11.280 445 H GLU 53 H GLU 53 8.378 -4.598 7.104 446 HA GLU 53 HA GLU 53 6.860 -3.851 4.796 447 HB2 GLU 53 2HB GLU 53 7.418 -6.537 6.148 448 HB3 GLU 53 3HB GLU 53 6.584 -6.353 4.600 449 HG2 GLU 53 2HG GLU 53 8.620 -5.280 3.631 450 HG3 GLU 53 3HG GLU 53 9.454 -5.468 5.178 451 H LEU 54 H LEU 54 4.599 -4.160 4.391 452 HA LEU 54 HA LEU 54 3.159 -3.560 6.841 453 HB2 LEU 54 2HB LEU 54 2.219 -3.522 3.935 454 HB3 LEU 54 3HB LEU 54 1.422 -2.768 5.321 455 HG LEU 54 HG LEU 54 4.116 -1.943 4.114 456 HD11 LEU 54 1HD1 LEU 54 2.903 0.124 3.533 457 HD12 LEU 54 2HD1 LEU 54 2.155 -1.317 2.766 458 HD13 LEU 54 3HD1 LEU 54 1.391 -0.570 4.210 459 HD21 LEU 54 3HD2 LEU 54 4.098 -1.690 6.569 460 HD22 LEU 54 1HD2 LEU 54 4.029 -0.092 5.751 461 HD23 LEU 54 2HD2 LEU 54 2.542 -0.797 6.471 462 H ALA 55 H ALA 55 3.548 -6.061 7.403 463 HA ALA 55 HA ALA 55 1.903 -7.838 5.793 464 HB1 ALA 55 3HB ALA 55 3.711 -8.303 8.215 465 HB2 ALA 55 1HB ALA 55 2.909 -9.583 7.244 466 HB3 ALA 55 2HB ALA 55 4.159 -8.535 6.492 467 H ASP 56 H ASP 56 1.531 -5.860 8.642 468 HA ASP 56 HA ASP 56 -0.456 -7.693 9.773 469 HB2 ASP 56 2HB ASP 56 1.285 -6.712 11.255 470 HB3 ASP 56 3HB ASP 56 0.757 -5.084 10.807 471 H ASP 57 H ASP 57 -2.470 -7.501 8.835 472 HA ASP 57 HA ASP 57 -3.199 -5.218 7.352 473 HB2 ASP 57 2HB ASP 57 -4.692 -7.651 8.414 474 HB3 ASP 57 3HB ASP 57 -5.519 -6.374 7.512 475 H TYR 58 H TYR 58 -3.428 -5.987 10.805 476 HA TYR 58 HA TYR 58 -5.733 -4.228 11.137 477 HB2 TYR 58 2HB TYR 58 -4.187 -6.044 13.049 478 HB3 TYR 58 3HB TYR 58 -5.572 -5.050 13.519 479 HD1 TYR 58 HD1 TYR 58 -7.841 -5.530 12.530 480 HD2 TYR 58 HD2 TYR 58 -4.487 -8.134 11.899 481 HE1 TYR 58 HE1 TYR 58 -9.380 -7.342 11.844 482 HE2 TYR 58 HE2 TYR 58 -6.021 -9.949 11.211 483 HH TYR 58 HH TYR 58 -9.586 -9.431 11.157 484 H ARG 59 H ARG 59 -2.314 -3.941 11.047 485 HA ARG 59 HA ARG 59 -2.176 -1.915 13.103 486 HB2 ARG 59 2HB ARG 59 -0.301 -3.461 12.627 487 HB3 ARG 59 3HB ARG 59 -0.126 -2.727 11.028 488 HG2 ARG 59 2HG ARG 59 0.406 -0.555 12.035 489 HG3 ARG 59 3HG ARG 59 0.111 -1.198 13.656 490 HD2 ARG 59 2HD ARG 59 1.956 -2.851 13.243 491 HD3 ARG 59 3HD ARG 59 2.305 -1.995 11.736 492 HE ARG 59 HE ARG 59 3.117 -0.154 12.973 493 HH11 ARG 59 1HH1 ARG 59 1.960 -2.693 15.110 494 HH12 ARG 59 2HH1 ARG 59 2.817 -2.081 16.486 495 HH21 ARG 59 1HH2 ARG 59 4.196 0.625 14.747 496 HH22 ARG 59 2HH2 ARG 59 4.100 -0.177 16.280 497 H ASN 60 H ASN 60 -2.099 0.336 12.806 498 HA ASN 60 HA ASN 60 -3.452 1.167 10.404 499 HB2 ASN 60 2HB ASN 60 -2.555 2.658 12.898 500 HB3 ASN 60 3HB ASN 60 -3.433 3.402 11.555 501 HD21 ASN 60 1HD2 ASN 60 -3.802 2.253 14.537 502 HD22 ASN 60 2HD2 ASN 60 -5.474 1.807 14.486 503 H LEU 61 H LEU 61 -2.714 2.981 9.024 504 HA LEU 61 HA LEU 61 -0.088 2.764 8.146 505 HB2 LEU 61 2HB LEU 61 -2.114 5.044 7.947 506 HB3 LEU 61 3HB LEU 61 -0.589 5.002 7.053 507 HG LEU 61 HG LEU 61 -2.770 2.864 6.806 508 HD11 LEU 61 1HD1 LEU 61 -3.304 3.947 4.655 509 HD12 LEU 61 2HD1 LEU 61 -3.586 5.056 6.039 510 HD13 LEU 61 3HD1 LEU 61 -2.124 5.251 5.015 511 HD21 LEU 61 3HD2 LEU 61 -0.485 2.105 6.262 512 HD22 LEU 61 1HD2 LEU 61 -1.495 2.234 4.783 513 HD23 LEU 61 2HD2 LEU 61 -0.279 3.502 5.153 514 H ASN 62 H ASN 62 -1.551 5.072 10.554 515 HA ASN 62 HA ASN 62 0.783 6.583 10.915 516 HB2 ASN 62 2HB ASN 62 -1.517 7.206 11.658 517 HB3 ASN 62 3HB ASN 62 -1.423 5.966 12.916 518 HD21 ASN 62 1HD2 ASN 62 -0.765 6.586 14.820 519 HD22 ASN 62 2HD2 ASN 62 0.245 7.948 15.176 520 H GLU 63 H GLU 63 -0.349 3.468 12.378 521 HA GLU 63 HA GLU 63 1.648 3.444 14.398 522 HB2 GLU 63 2HB GLU 63 -0.145 1.327 13.132 523 HB3 GLU 63 3HB GLU 63 1.017 0.941 14.408 524 HG2 GLU 63 2HG GLU 63 -0.114 2.449 15.975 525 HG3 GLU 63 3HG GLU 63 -1.197 3.029 14.702 526 H TYR 64 H TYR 64 1.615 2.584 10.941 527 HA TYR 64 HA TYR 64 4.058 1.077 11.109 528 HB2 TYR 64 2HB TYR 64 2.289 2.197 8.915 529 HB3 TYR 64 3HB TYR 64 3.929 1.663 8.524 530 HD1 TYR 64 HD1 TYR 64 4.560 -0.761 9.484 531 HD2 TYR 64 HD2 TYR 64 0.562 0.636 8.788 532 HE1 TYR 64 HE1 TYR 64 3.770 -3.102 9.340 533 HE2 TYR 64 HE2 TYR 64 -0.236 -1.702 8.650 534 HH TYR 64 HH TYR 64 0.310 -3.873 9.143 535 H GLY 65 H GLY 65 3.237 4.467 11.255 536 HA2 GLY 65 2HA GLY 65 4.671 6.231 11.410 537 HA3 GLY 65 3HA GLY 65 6.023 5.192 10.942 538 H ILE 66 H ILE 66 3.061 5.186 8.941 539 HA ILE 66 HA ILE 66 4.723 6.008 6.736 540 HB ILE 66 HB ILE 66 1.817 5.075 6.956 541 HG12 ILE 66 2HG1 ILE 66 4.214 3.705 5.662 542 HG13 ILE 66 3HG1 ILE 66 3.771 3.457 7.356 543 HG21 ILE 66 1HG2 ILE 66 1.837 4.951 4.485 544 HG22 ILE 66 2HG2 ILE 66 2.043 6.636 5.071 545 HG23 ILE 66 3HG2 ILE 66 3.462 5.717 4.464 546 HD11 ILE 66 3HD1 ILE 66 1.994 2.874 4.945 547 HD12 ILE 66 1HD1 ILE 66 2.879 1.666 5.937 548 HD13 ILE 66 2HD1 ILE 66 1.544 2.622 6.666 549 H THR 67 H THR 67 4.630 7.984 5.632 550 HA THR 67 HA THR 67 2.934 9.967 6.970 551 HB THR 67 HB THR 67 4.615 11.621 6.379 552 HG1 THR 67 HG1 THR 67 5.816 9.405 4.928 553 HG21 THR 67 3HG2 THR 67 5.947 9.079 7.436 554 HG22 THR 67 1HG2 THR 67 6.586 10.749 7.603 555 HG23 THR 67 2HG2 THR 67 5.049 10.290 8.412 556 H GLU 68 H GLU 68 2.776 12.068 5.318 557 HA GLU 68 HA GLU 68 1.201 11.067 3.135 558 HB2 GLU 68 2HB GLU 68 0.702 13.424 2.748 559 HB3 GLU 68 3HB GLU 68 0.530 13.037 4.465 560 HG2 GLU 68 2HG GLU 68 3.140 14.196 3.434 561 HG3 GLU 68 3HG GLU 68 1.751 15.255 3.711 562 H PHE 69 H PHE 69 4.551 11.452 3.519 563 HA PHE 69 HA PHE 69 4.857 12.081 0.650 564 HB2 PHE 69 2HB PHE 69 6.849 12.312 2.961 565 HB3 PHE 69 3HB PHE 69 7.206 12.655 1.263 566 HD1 PHE 69 HD1 PHE 69 5.544 14.414 0.120 567 HD2 PHE 69 HD2 PHE 69 6.250 14.075 4.344 568 HE1 PHE 69 HE1 PHE 69 4.791 16.750 0.433 569 HE2 PHE 69 HE2 PHE 69 5.496 16.413 4.656 570 HZ PHE 69 HZ PHE 69 4.767 17.755 2.702 571 H SER 70 H SER 70 4.738 9.504 2.874 572 HA SER 70 HA SER 70 7.058 8.057 2.141 573 HB2 SER 70 2HB SER 70 4.372 7.293 3.361 574 HB3 SER 70 3HB SER 70 5.676 6.127 3.104 575 HG SER 70 HG SER 70 6.627 6.851 4.838 576 H GLU 71 H GLU 71 7.358 6.322 0.661 577 HA GLU 71 HA GLU 71 5.141 5.969 -1.259 578 HB2 GLU 71 2HB GLU 71 7.073 7.079 -2.284 579 HB3 GLU 71 3HB GLU 71 8.168 5.842 -1.651 580 HG2 GLU 71 2HG GLU 71 7.059 4.121 -3.064 581 HG3 GLU 71 3HG GLU 71 5.935 5.339 -3.680 582 H ILE 72 H ILE 72 4.366 3.892 -1.553 583 HA ILE 72 HA ILE 72 5.804 1.822 -0.036 584 HB ILE 72 HB ILE 72 2.793 2.144 -0.497 585 HG12 ILE 72 2HG1 ILE 72 4.438 2.389 2.067 586 HG13 ILE 72 3HG1 ILE 72 3.847 3.762 1.122 587 HG21 ILE 72 1HG2 ILE 72 2.580 0.228 1.052 588 HG22 ILE 72 2HG2 ILE 72 3.480 -0.214 -0.438 589 HG23 ILE 72 3HG2 ILE 72 4.369 0.070 1.097 590 HD11 ILE 72 3HD1 ILE 72 2.108 1.636 2.455 591 HD12 ILE 72 1HD1 ILE 72 2.382 3.312 3.040 592 HD13 ILE 72 2HD1 ILE 72 1.508 3.030 1.496 593 H VAL 73 H VAL 73 6.100 -0.229 -1.049 594 HA VAL 73 HA VAL 73 5.678 0.015 -3.945 595 HB VAL 73 HB VAL 73 7.899 -1.413 -2.396 596 HG11 VAL 73 1HG1 VAL 73 8.964 -1.663 -4.617 597 HG12 VAL 73 2HG1 VAL 73 7.381 -2.507 -4.535 598 HG13 VAL 73 3HG1 VAL 73 7.516 -0.932 -5.388 599 HG21 VAL 73 3HG2 VAL 73 8.074 1.032 -2.224 600 HG22 VAL 73 1HG2 VAL 73 9.363 0.372 -3.287 601 HG23 VAL 73 2HG2 VAL 73 7.930 1.180 -4.008 602 H VAL 74 H VAL 74 4.941 -1.809 -5.141 603 HA VAL 74 HA VAL 74 3.923 -3.959 -3.418 604 HB VAL 74 HB VAL 74 2.898 -2.905 -6.105 605 HG11 VAL 74 1HG1 VAL 74 1.000 -4.453 -5.747 606 HG12 VAL 74 2HG1 VAL 74 2.561 -5.330 -5.892 607 HG13 VAL 74 3HG1 VAL 74 1.808 -5.096 -4.278 608 HG21 VAL 74 3HG2 VAL 74 2.436 -1.384 -4.231 609 HG22 VAL 74 1HG2 VAL 74 0.928 -2.182 -4.792 610 HG23 VAL 74 2HG2 VAL 74 1.733 -2.740 -3.286 611 H PHE 75 H PHE 75 4.608 -6.063 -3.817 612 HA PHE 75 HA PHE 75 6.081 -6.517 -6.325 613 HB2 PHE 75 2HB PHE 75 7.310 -7.049 -4.270 614 HB3 PHE 75 3HB PHE 75 5.970 -8.039 -3.677 615 HD1 PHE 75 HD1 PHE 75 8.513 -7.783 -6.410 616 HD2 PHE 75 HD2 PHE 75 5.794 -10.321 -4.260 617 HE1 PHE 75 HE1 PHE 75 9.488 -9.769 -7.520 618 HE2 PHE 75 HE2 PHE 75 6.772 -12.307 -5.366 619 HZ PHE 75 HZ PHE 75 8.621 -12.035 -7.001 620 H LEU 76 H LEU 76 5.341 -8.005 -7.857 621 HA LEU 76 HA LEU 76 2.544 -8.785 -7.390 622 HB2 LEU 76 2HB LEU 76 4.176 -8.290 -9.927 623 HB3 LEU 76 3HB LEU 76 2.513 -8.892 -9.919 624 HG LEU 76 HG LEU 76 3.408 -6.186 -8.794 625 HD11 LEU 76 1HD1 LEU 76 2.232 -5.255 -10.752 626 HD12 LEU 76 2HD1 LEU 76 3.601 -6.308 -11.244 627 HD13 LEU 76 3HD1 LEU 76 1.915 -6.917 -11.355 628 HD21 LEU 76 3HD2 LEU 76 1.452 -7.147 -7.630 629 HD22 LEU 76 1HD2 LEU 76 0.975 -5.749 -8.652 630 HD23 LEU 76 2HD2 LEU 76 0.642 -7.424 -9.209 631 H LYS 77 H LYS 77 2.010 -10.942 -7.208 632 HA LYS 77 HA LYS 77 3.708 -13.084 -7.574 633 HB2 LYS 77 2HB LYS 77 1.442 -13.152 -6.542 634 HB3 LYS 77 3HB LYS 77 0.708 -12.874 -8.127 635 HG2 LYS 77 2HG LYS 77 0.543 -15.228 -7.658 636 HG3 LYS 77 3HG LYS 77 1.750 -15.032 -8.936 637 HD2 LYS 77 2HD LYS 77 3.582 -15.180 -7.250 638 HD3 LYS 77 3HD LYS 77 2.390 -15.330 -5.952 639 HE2 LYS 77 2HE LYS 77 1.522 -17.433 -6.979 640 HE3 LYS 77 3HE LYS 77 2.690 -17.279 -8.298 641 HZ1 LYS 77 3HZ LYS 77 3.377 -17.597 -5.447 642 HZ2 LYS 77 1HZ LYS 77 3.475 -18.759 -6.590 643 HZ3 LYS 77 2HZ LYS 77 4.455 -17.455 -6.665 644 H SER 78 H SER 78 4.492 -14.251 -9.341 645 HA SER 78 HA SER 78 4.397 -12.685 -11.781 646 HB2 SER 78 2HB SER 78 6.297 -14.038 -12.425 647 HB3 SER 78 3HB SER 78 6.528 -13.484 -10.762 648 HG SER 78 HG SER 78 7.037 -15.726 -11.027 649 H ILE 79 H ILE 79 4.325 -13.887 -13.953 650 HA ILE 79 HA ILE 79 3.176 -15.050 -15.418 651 HB ILE 79 HB ILE 79 2.987 -17.199 -13.245 652 HG12 ILE 79 2HG1 ILE 79 5.184 -16.573 -15.271 653 HG13 ILE 79 3HG1 ILE 79 5.309 -16.500 -13.508 654 HG21 ILE 79 1HG2 ILE 79 2.883 -18.755 -15.164 655 HG22 ILE 79 2HG2 ILE 79 1.515 -17.592 -15.171 656 HG23 ILE 79 3HG2 ILE 79 2.898 -17.359 -16.293 657 HD11 ILE 79 3HD1 ILE 79 4.827 -19.021 -15.158 658 HD12 ILE 79 1HD1 ILE 79 6.372 -18.528 -14.387 659 HD13 ILE 79 2HD1 ILE 79 4.954 -18.947 -13.368 660 H ASN 80 H ASN 80 1.597 -13.156 -14.016 661 HA ASN 80 HA ASN 80 -0.909 -14.591 -13.527 662 HB2 ASN 80 2HB ASN 80 -1.714 -12.522 -12.570 663 HB3 ASN 80 3HB ASN 80 -0.181 -12.983 -11.818 664 HD21 ASN 80 1HD2 ASN 80 -0.313 -10.701 -11.177 665 HD22 ASN 80 2HD2 ASN 80 0.460 -9.544 -12.210 666 H ARG 81 H ARG 81 -2.790 -12.635 -14.226 667 HA ARG 81 HA ARG 81 -2.195 -11.868 -16.972 668 HB2 ARG 81 2HB ARG 81 -3.120 -14.128 -17.159 669 HB3 ARG 81 3HB ARG 81 -4.553 -13.628 -16.252 670 HG2 ARG 81 2HG ARG 81 -5.135 -12.007 -18.025 671 HG3 ARG 81 3HG ARG 81 -3.676 -12.444 -18.924 672 HD2 ARG 81 2HD ARG 81 -4.492 -14.714 -19.210 673 HD3 ARG 81 3HD ARG 81 -5.919 -14.350 -18.231 674 HE ARG 81 HE ARG 81 -5.946 -12.500 -20.316 675 HH11 ARG 81 1HH1 ARG 81 -5.973 -16.006 -20.062 676 HH12 ARG 81 2HH1 ARG 81 -6.916 -16.216 -21.500 677 HH21 ARG 81 1HH2 ARG 81 -7.143 -12.786 -22.161 678 HH22 ARG 81 2HH2 ARG 81 -7.588 -14.369 -22.706 679 H ALA 82 H ALA 82 -3.061 -9.876 -17.467 680 HA ALA 82 HA ALA 82 -5.423 -8.935 -16.118 681 HB1 ALA 82 3HB ALA 82 -2.703 -7.652 -15.566 682 HB2 ALA 82 1HB ALA 82 -4.298 -6.966 -15.107 683 HB3 ALA 82 2HB ALA 82 -3.738 -8.507 -14.374 684 H LYS 83 H LYS 83 -6.054 -6.713 -16.927 685 HA LYS 83 HA LYS 83 -5.113 -6.424 -19.689 686 HB2 LYS 83 2HB LYS 83 -7.530 -5.298 -18.197 687 HB3 LYS 83 3HB LYS 83 -7.145 -4.963 -19.890 688 HG2 LYS 83 2HG LYS 83 -7.346 -7.411 -20.403 689 HG3 LYS 83 3HG LYS 83 -7.775 -7.717 -18.715 690 HD2 LYS 83 2HD LYS 83 -9.762 -6.233 -18.930 691 HD3 LYS 83 3HD LYS 83 -9.324 -5.867 -20.604 692 HE2 LYS 83 2HE LYS 83 -9.523 -8.309 -21.171 693 HE3 LYS 83 3HE LYS 83 -10.008 -8.644 -19.504 694 HZ1 LYS 83 3HZ LYS 83 -11.465 -6.894 -21.380 695 HZ2 LYS 83 1HZ LYS 83 -11.904 -8.405 -20.946 696 HZ3 LYS 83 2HZ LYS 83 -11.913 -7.203 -19.841 697 H ASP 84 H ASP 84 -4.822 -4.151 -20.543 698 HA ASP 84 HA ASP 84 -3.172 -2.700 -18.647 699 HB2 ASP 84 2HB ASP 84 -2.433 -3.205 -20.985 700 HB3 ASP 84 3HB ASP 84 -3.773 -2.233 -21.607 Start of MODEL 5 1 H ALA 1 1H ALA 1 -11.800 7.025 6.642 2 HA ALA 1 HA ALA 1 -11.448 9.040 6.025 3 HB1 ALA 1 3HB ALA 1 -14.498 9.236 6.115 4 HB2 ALA 1 1HB ALA 1 -13.397 10.391 5.290 5 HB3 ALA 1 2HB ALA 1 -13.507 8.691 4.720 6 H ALA 2 H ALA 2 -10.578 10.722 7.162 7 HA ALA 2 HA ALA 2 -12.165 12.111 9.115 8 HB1 ALA 2 3HB ALA 2 -9.711 10.500 9.975 9 HB2 ALA 2 1HB ALA 2 -10.580 11.704 10.984 10 HB3 ALA 2 2HB ALA 2 -11.410 10.197 10.471 11 H VAL 3 H VAL 3 -10.463 13.743 10.344 12 HA VAL 3 HA VAL 3 -9.598 15.406 8.291 13 HB VAL 3 HB VAL 3 -8.943 15.334 11.277 14 HG11 VAL 3 1HG1 VAL 3 -8.170 17.670 11.006 15 HG12 VAL 3 2HG1 VAL 3 -7.154 16.517 10.077 16 HG13 VAL 3 3HG1 VAL 3 -8.373 17.526 9.227 17 HG21 VAL 3 3HG2 VAL 3 -11.310 15.706 10.728 18 HG22 VAL 3 1HG2 VAL 3 -10.563 17.203 11.380 19 HG23 VAL 3 2HG2 VAL 3 -10.856 17.041 9.616 20 H ARG 4 H ARG 4 -7.952 12.739 9.996 21 HA ARG 4 HA ARG 4 -5.336 13.844 9.426 22 HB2 ARG 4 2HB ARG 4 -6.167 11.272 10.796 23 HB3 ARG 4 3HB ARG 4 -4.504 11.844 10.604 24 HG2 ARG 4 2HG ARG 4 -5.094 13.902 11.906 25 HG3 ARG 4 3HG ARG 4 -6.724 13.258 12.145 26 HD2 ARG 4 2HD ARG 4 -5.779 11.312 13.310 27 HD3 ARG 4 3HD ARG 4 -4.152 11.966 13.078 28 HE ARG 4 HE ARG 4 -5.711 13.924 14.400 29 HH11 ARG 4 1HH1 ARG 4 -4.410 10.720 15.028 30 HH12 ARG 4 2HH1 ARG 4 -4.247 10.997 16.730 31 HH21 ARG 4 1HH2 ARG 4 -5.508 14.258 16.583 32 HH22 ARG 4 2HH2 ARG 4 -4.877 13.026 17.624 33 H LYS 5 H LYS 5 -5.472 13.818 7.040 34 HA LYS 5 HA LYS 5 -5.635 11.130 5.878 35 HB2 LYS 5 2HB LYS 5 -5.787 13.941 4.696 36 HB3 LYS 5 3HB LYS 5 -5.752 12.467 3.719 37 HG2 LYS 5 2HG LYS 5 -7.851 11.692 4.900 38 HG3 LYS 5 3HG LYS 5 -7.901 13.239 5.755 39 HD2 LYS 5 2HD LYS 5 -8.155 14.478 3.671 40 HD3 LYS 5 3HD LYS 5 -7.821 13.037 2.703 41 HE2 LYS 5 2HE LYS 5 -9.891 11.957 3.738 42 HE3 LYS 5 3HE LYS 5 -10.250 13.509 4.505 43 HZ1 LYS 5 3HZ LYS 5 -9.963 13.128 1.594 44 HZ2 LYS 5 1HZ LYS 5 -11.388 13.192 2.388 45 HZ3 LYS 5 2HZ LYS 5 -10.416 14.504 2.347 46 H ILE 6 H ILE 6 -3.993 10.384 4.354 47 HA ILE 6 HA ILE 6 -1.658 12.121 4.124 48 HB ILE 6 HB ILE 6 -0.169 10.096 4.367 49 HG12 ILE 6 2HG1 ILE 6 -2.677 8.800 5.534 50 HG13 ILE 6 3HG1 ILE 6 -2.007 8.427 3.941 51 HG21 ILE 6 1HG2 ILE 6 -0.251 10.042 6.839 52 HG22 ILE 6 2HG2 ILE 6 -0.434 11.711 6.201 53 HG23 ILE 6 3HG2 ILE 6 -1.871 10.815 6.799 54 HD11 ILE 6 3HD1 ILE 6 -0.579 8.038 6.610 55 HD12 ILE 6 1HD1 ILE 6 -1.325 6.753 5.601 56 HD13 ILE 6 2HD1 ILE 6 0.101 7.659 4.992 57 H HIS 7 H HIS 7 -0.430 11.772 2.136 58 HA HIS 7 HA HIS 7 -1.951 10.288 0.118 59 HB2 HIS 7 2HB HIS 7 0.345 12.299 -0.094 60 HB3 HIS 7 3HB HIS 7 -0.430 11.503 -1.471 61 HD2 HIS 7 HD2 HIS 7 -0.907 14.612 0.737 62 HE1 HIS 7 HE1 HIS 7 -4.526 14.106 -1.494 63 H VAL 8 H VAL 8 -1.259 8.312 -0.625 64 HA VAL 8 HA VAL 8 1.532 7.611 -0.022 65 HB VAL 8 HB VAL 8 -0.943 5.839 -0.338 66 HG11 VAL 8 1HG1 VAL 8 0.572 3.957 0.207 67 HG12 VAL 8 2HG1 VAL 8 1.034 4.764 -1.329 68 HG13 VAL 8 3HG1 VAL 8 1.973 5.080 0.169 69 HG21 VAL 8 3HG2 VAL 8 -0.814 6.999 1.825 70 HG22 VAL 8 1HG2 VAL 8 -0.492 5.243 2.022 71 HG23 VAL 8 2HG2 VAL 8 0.869 6.415 2.053 72 H THR 9 H THR 9 2.872 7.353 -1.789 73 HA THR 9 HA THR 9 1.640 7.186 -4.407 74 HB THR 9 HB THR 9 4.557 7.403 -3.495 75 HG1 THR 9 HG1 THR 9 2.722 9.283 -4.757 76 HG21 THR 9 3HG2 THR 9 3.346 7.518 -6.301 77 HG22 THR 9 1HG2 THR 9 5.060 7.852 -5.879 78 HG23 THR 9 2HG2 THR 9 4.382 6.205 -5.646 79 H VAL 10 H VAL 10 1.150 5.197 -5.286 80 HA VAL 10 HA VAL 10 2.633 2.894 -4.291 81 HB VAL 10 HB VAL 10 0.125 3.124 -6.034 82 HG11 VAL 10 1HG1 VAL 10 -0.091 0.682 -5.692 83 HG12 VAL 10 2HG1 VAL 10 1.411 1.103 -6.582 84 HG13 VAL 10 3HG1 VAL 10 1.491 0.666 -4.842 85 HG21 VAL 10 3HG2 VAL 10 -0.233 3.813 -3.701 86 HG22 VAL 10 1HG2 VAL 10 -1.037 2.242 -4.033 87 HG23 VAL 10 2HG2 VAL 10 0.510 2.284 -3.122 88 H LYS 11 H LYS 11 4.335 2.073 -5.479 89 HA LYS 11 HA LYS 11 4.537 3.007 -8.267 90 HB2 LYS 11 2HB LYS 11 6.648 2.186 -6.216 91 HB3 LYS 11 3HB LYS 11 6.997 2.530 -7.915 92 HG2 LYS 11 2HG LYS 11 6.102 4.861 -7.598 93 HG3 LYS 11 3HG LYS 11 5.839 4.505 -5.886 94 HD2 LYS 11 2HD LYS 11 8.240 4.106 -5.539 95 HD3 LYS 11 3HD LYS 11 8.558 4.257 -7.272 96 HE2 LYS 11 2HE LYS 11 7.715 6.631 -7.193 97 HE3 LYS 11 3HE LYS 11 7.481 6.469 -5.447 98 HZ1 LYS 11 3HZ LYS 11 9.777 7.204 -6.720 99 HZ2 LYS 11 1HZ LYS 11 9.623 6.837 -5.137 100 HZ3 LYS 11 2HZ LYS 11 10.093 5.690 -6.199 101 H PHE 12 H PHE 12 4.083 1.439 -9.794 102 HA PHE 12 HA PHE 12 5.270 -1.206 -9.242 103 HB2 PHE 12 2HB PHE 12 3.062 -0.347 -11.175 104 HB3 PHE 12 3HB PHE 12 3.801 -1.953 -11.162 105 HD1 PHE 12 HD1 PHE 12 3.585 -3.391 -9.078 106 HD2 PHE 12 HD2 PHE 12 1.339 0.228 -9.643 107 HE1 PHE 12 HE1 PHE 12 1.971 -4.123 -7.351 108 HE2 PHE 12 HE2 PHE 12 -0.270 -0.503 -7.911 109 HZ PHE 12 HZ PHE 12 0.040 -2.678 -6.763 110 HA PRO 13 HA PRO 13 8.218 -0.520 -12.526 111 HB2 PRO 13 2HB PRO 13 8.223 -3.061 -13.680 112 HB3 PRO 13 3HB PRO 13 9.038 -2.740 -12.144 113 HG2 PRO 13 2HG PRO 13 6.275 -3.908 -12.630 114 HG3 PRO 13 3HG PRO 13 7.532 -4.459 -11.514 115 HD2 PRO 13 2HD PRO 13 5.455 -2.971 -10.606 116 HD3 PRO 13 3HD PRO 13 7.075 -2.739 -9.933 117 H SER 14 H SER 14 4.921 -1.622 -13.190 118 HA SER 14 HA SER 14 5.307 -1.079 -16.035 119 HB2 SER 14 2HB SER 14 3.043 -1.952 -16.251 120 HB3 SER 14 3HB SER 14 4.033 -3.072 -15.306 121 HG SER 14 HG SER 14 1.945 -2.726 -14.369 122 H LYS 15 H LYS 15 3.887 0.381 -13.084 123 HA LYS 15 HA LYS 15 3.655 2.890 -14.410 124 HB2 LYS 15 2HB LYS 15 1.264 3.175 -14.299 125 HB3 LYS 15 3HB LYS 15 1.599 1.729 -15.260 126 HG2 LYS 15 2HG LYS 15 1.060 0.286 -13.308 127 HG3 LYS 15 3HG LYS 15 0.766 1.720 -12.315 128 HD2 LYS 15 2HD LYS 15 -1.051 2.427 -13.907 129 HD3 LYS 15 3HD LYS 15 -0.775 0.959 -14.854 130 HE2 LYS 15 2HE LYS 15 -1.292 -0.426 -12.816 131 HE3 LYS 15 3HE LYS 15 -1.624 1.057 -11.912 132 HZ1 LYS 15 3HZ LYS 15 -3.117 0.006 -14.219 133 HZ2 LYS 15 1HZ LYS 15 -3.662 0.262 -12.701 134 HZ3 LYS 15 2HZ LYS 15 -3.322 1.530 -13.671 135 H GLN 16 H GLN 16 3.039 4.630 -12.871 136 HA GLN 16 HA GLN 16 2.960 3.700 -10.077 137 HB2 GLN 16 2HB GLN 16 4.499 6.100 -11.190 138 HB3 GLN 16 3HB GLN 16 4.356 5.666 -9.482 139 HG2 GLN 16 2HG GLN 16 5.559 3.542 -9.899 140 HG3 GLN 16 3HG GLN 16 5.662 3.923 -11.623 141 HE21 GLN 16 1HE2 GLN 16 8.003 3.439 -10.504 142 HE22 GLN 16 2HE2 GLN 16 8.915 4.881 -10.204 143 H PHE 17 H PHE 17 1.758 5.098 -8.609 144 HA PHE 17 HA PHE 17 0.398 7.394 -9.679 145 HB2 PHE 17 2HB PHE 17 -1.879 6.464 -9.333 146 HB3 PHE 17 3HB PHE 17 -1.018 5.675 -10.661 147 HD1 PHE 17 HD1 PHE 17 -0.139 3.366 -10.394 148 HD2 PHE 17 HD2 PHE 17 -2.487 5.257 -7.334 149 HE1 PHE 17 HE1 PHE 17 -0.554 1.162 -9.351 150 HE2 PHE 17 HE2 PHE 17 -2.899 3.049 -6.288 151 HZ PHE 17 HZ PHE 17 -1.935 0.999 -7.295 152 H THR 18 H THR 18 -1.073 8.386 -7.958 153 HA THR 18 HA THR 18 -0.117 7.566 -5.301 154 HB THR 18 HB THR 18 -0.737 10.373 -6.361 155 HG1 THR 18 HG1 THR 18 1.560 10.666 -5.881 156 HG21 THR 18 3HG2 THR 18 0.156 9.444 -3.587 157 HG22 THR 18 1HG2 THR 18 -0.001 11.150 -4.126 158 HG23 THR 18 2HG2 THR 18 -1.458 10.106 -4.016 159 H VAL 19 H VAL 19 -1.668 7.568 -3.576 160 HA VAL 19 HA VAL 19 -4.431 7.998 -4.479 161 HB VAL 19 HB VAL 19 -5.090 6.033 -3.097 162 HG11 VAL 19 1HG1 VAL 19 -4.227 4.285 -4.627 163 HG12 VAL 19 2HG1 VAL 19 -4.724 5.765 -5.515 164 HG13 VAL 19 3HG1 VAL 19 -2.983 5.432 -5.227 165 HG21 VAL 19 3HG2 VAL 19 -3.207 6.041 -1.519 166 HG22 VAL 19 1HG2 VAL 19 -3.356 4.444 -2.327 167 HG23 VAL 19 2HG2 VAL 19 -2.078 5.596 -2.843 168 H GLU 20 H GLU 20 -5.994 8.326 -2.598 169 HA GLU 20 HA GLU 20 -4.592 9.756 -0.438 170 HB2 GLU 20 2HB GLU 20 -6.059 11.128 -1.894 171 HB3 GLU 20 3HB GLU 20 -7.420 10.050 -1.559 172 HG2 GLU 20 2HG GLU 20 -7.300 10.668 0.864 173 HG3 GLU 20 3HG GLU 20 -5.958 11.764 0.510 174 H VAL 21 H VAL 21 -4.620 8.827 1.569 175 HA VAL 21 HA VAL 21 -6.867 7.041 2.165 176 HB VAL 21 HB VAL 21 -5.265 5.468 3.260 177 HG11 VAL 21 1HG1 VAL 21 -4.371 4.462 1.184 178 HG12 VAL 21 2HG1 VAL 21 -6.067 5.017 0.982 179 HG13 VAL 21 3HG1 VAL 21 -4.718 5.987 0.301 180 HG21 VAL 21 3HG2 VAL 21 -3.426 7.046 3.676 181 HG22 VAL 21 1HG2 VAL 21 -2.851 5.630 2.732 182 HG23 VAL 21 2HG2 VAL 21 -3.141 7.200 1.910 183 H ASP 22 H ASP 22 -6.828 6.466 4.651 184 HA ASP 22 HA ASP 22 -6.237 8.982 6.058 185 HB2 ASP 22 2HB ASP 22 -8.608 8.260 5.985 186 HB3 ASP 22 3HB ASP 22 -8.168 6.695 6.683 187 H ARG 23 H ARG 23 -4.799 9.025 7.778 188 HA ARG 23 HA ARG 23 -3.002 6.834 7.840 189 HB2 ARG 23 2HB ARG 23 -1.647 8.144 9.225 190 HB3 ARG 23 3HB ARG 23 -2.377 9.240 8.045 191 HG2 ARG 23 2HG ARG 23 -4.092 9.872 9.795 192 HG3 ARG 23 3HG ARG 23 -3.196 8.889 10.960 193 HD2 ARG 23 2HD ARG 23 -2.067 11.239 9.427 194 HD3 ARG 23 3HD ARG 23 -2.716 11.311 11.071 195 HE ARG 23 HE ARG 23 -0.822 9.427 11.367 196 HH11 ARG 23 1HH1 ARG 23 -0.667 12.503 9.675 197 HH12 ARG 23 2HH1 ARG 23 1.015 12.738 10.018 198 HH21 ARG 23 1HH2 ARG 23 1.334 9.734 11.788 199 HH22 ARG 23 2HH2 ARG 23 2.165 11.148 11.230 200 H THR 24 H THR 24 -5.892 7.640 9.688 201 HA THR 24 HA THR 24 -5.026 6.012 11.929 202 HB THR 24 HB THR 24 -7.206 6.663 12.923 203 HG1 THR 24 HG1 THR 24 -7.548 8.100 10.409 204 HG21 THR 24 3HG2 THR 24 -5.685 9.005 11.675 205 HG22 THR 24 1HG2 THR 24 -6.785 9.099 13.092 206 HG23 THR 24 2HG2 THR 24 -5.260 8.157 13.200 207 H GLU 25 H GLU 25 -6.556 5.548 8.853 208 HA GLU 25 HA GLU 25 -8.015 3.196 9.722 209 HB2 GLU 25 2HB GLU 25 -7.369 4.458 7.023 210 HB3 GLU 25 3HB GLU 25 -8.183 2.895 7.172 211 HG2 GLU 25 2HG GLU 25 -10.001 4.014 8.517 212 HG3 GLU 25 3HG GLU 25 -9.204 5.569 8.249 213 H THR 26 H THR 26 -7.506 1.027 8.622 214 HA THR 26 HA THR 26 -4.746 0.474 9.152 215 HB THR 26 HB THR 26 -5.403 -1.883 8.709 216 HG1 THR 26 HG1 THR 26 -7.745 -2.233 8.268 217 HG21 THR 26 3HG2 THR 26 -7.430 -0.348 10.408 218 HG22 THR 26 1HG2 THR 26 -7.085 -2.107 10.514 219 HG23 THR 26 2HG2 THR 26 -5.812 -0.916 10.942 220 H VAL 27 H VAL 27 -3.523 -1.074 7.541 221 HA VAL 27 HA VAL 27 -3.116 0.448 5.222 222 HB VAL 27 HB VAL 27 -1.411 -0.989 6.443 223 HG11 VAL 27 1HG1 VAL 27 -1.296 -3.388 5.847 224 HG12 VAL 27 2HG1 VAL 27 -2.798 -2.995 6.749 225 HG13 VAL 27 3HG1 VAL 27 -2.856 -3.241 4.971 226 HG21 VAL 27 3HG2 VAL 27 -0.969 -0.073 4.205 227 HG22 VAL 27 1HG2 VAL 27 -0.243 -1.706 4.383 228 HG23 VAL 27 2HG2 VAL 27 -1.765 -1.496 3.452 229 H SER 28 H SER 28 -5.417 -2.102 5.951 230 HA SER 28 HA SER 28 -5.512 -3.380 3.448 231 HB2 SER 28 2HB SER 28 -7.596 -4.286 4.244 232 HB3 SER 28 3HB SER 28 -6.475 -4.215 5.610 233 HG SER 28 HG SER 28 -7.533 -2.411 6.420 234 H SER 29 H SER 29 -6.867 -0.272 4.608 235 HA SER 29 HA SER 29 -8.628 0.127 2.431 236 HB2 SER 29 2HB SER 29 -7.066 2.043 4.221 237 HB3 SER 29 3HB SER 29 -8.300 2.550 3.060 238 HG SER 29 HG SER 29 -9.338 2.334 5.009 239 H LEU 30 H LEU 30 -5.092 0.836 2.921 240 HA LEU 30 HA LEU 30 -4.725 2.078 0.414 241 HB2 LEU 30 2HB LEU 30 -3.122 2.243 2.267 242 HB3 LEU 30 3HB LEU 30 -2.852 0.496 2.237 243 HG LEU 30 HG LEU 30 -1.875 0.702 -0.069 244 HD11 LEU 30 1HD1 LEU 30 -1.318 2.948 -0.923 245 HD12 LEU 30 2HD1 LEU 30 -3.093 2.719 -0.777 246 HD13 LEU 30 3HD1 LEU 30 -2.209 3.692 0.447 247 HD21 LEU 30 3HD2 LEU 30 -0.447 0.728 1.945 248 HD22 LEU 30 1HD2 LEU 30 0.221 1.796 0.665 249 HD23 LEU 30 2HD2 LEU 30 -0.643 2.508 2.069 250 H LYS 31 H LYS 31 -4.645 -1.396 1.468 251 HA LYS 31 HA LYS 31 -3.647 -2.403 -0.958 252 HB2 LYS 31 2HB LYS 31 -5.422 -3.601 1.218 253 HB3 LYS 31 3HB LYS 31 -4.777 -4.534 -0.138 254 HG2 LYS 31 2HG LYS 31 -2.447 -3.953 0.599 255 HG3 LYS 31 3HG LYS 31 -3.119 -3.077 1.980 256 HD2 LYS 31 2HD LYS 31 -4.209 -5.165 2.794 257 HD3 LYS 31 3HD LYS 31 -3.586 -6.049 1.395 258 HE2 LYS 31 2HE LYS 31 -1.236 -5.475 2.117 259 HE3 LYS 31 3HE LYS 31 -1.896 -4.675 3.550 260 HZ1 LYS 31 3HZ LYS 31 -2.376 -7.512 2.904 261 HZ2 LYS 31 1HZ LYS 31 -1.200 -6.990 3.909 262 HZ3 LYS 31 2HZ LYS 31 -2.769 -6.744 4.290 263 H ASP 32 H ASP 32 -7.035 -1.721 0.184 264 HA ASP 32 HA ASP 32 -8.359 -2.730 -2.050 265 HB2 ASP 32 2HB ASP 32 -8.927 -0.426 -0.137 266 HB3 ASP 32 3HB ASP 32 -10.049 -0.877 -1.427 267 H LYS 33 H LYS 33 -6.872 0.552 -1.475 268 HA LYS 33 HA LYS 33 -7.758 1.676 -3.881 269 HB2 LYS 33 2HB LYS 33 -5.345 2.209 -2.090 270 HB3 LYS 33 3HB LYS 33 -5.734 3.203 -3.501 271 HG2 LYS 33 2HG LYS 33 -7.638 2.746 -1.151 272 HG3 LYS 33 3HG LYS 33 -6.547 4.131 -1.293 273 HD2 LYS 33 2HD LYS 33 -7.633 4.702 -3.510 274 HD3 LYS 33 3HD LYS 33 -8.776 3.377 -3.255 275 HE2 LYS 33 2HE LYS 33 -9.525 4.448 -1.112 276 HE3 LYS 33 3HE LYS 33 -8.398 5.782 -1.394 277 HZ1 LYS 33 3HZ LYS 33 -10.641 5.047 -3.165 278 HZ2 LYS 33 1HZ LYS 33 -10.608 6.318 -2.141 279 HZ3 LYS 33 2HZ LYS 33 -9.601 6.278 -3.425 280 H ILE 34 H ILE 34 -4.761 -0.229 -3.073 281 HA ILE 34 HA ILE 34 -3.592 0.049 -5.599 282 HB ILE 34 HB ILE 34 -3.406 -2.126 -3.459 283 HG12 ILE 34 2HG1 ILE 34 -1.393 0.013 -4.281 284 HG13 ILE 34 3HG1 ILE 34 -2.595 0.260 -3.007 285 HG21 ILE 34 1HG2 ILE 34 -1.382 -2.912 -4.641 286 HG22 ILE 34 2HG2 ILE 34 -2.858 -3.101 -5.645 287 HG23 ILE 34 3HG2 ILE 34 -1.715 -1.756 -5.974 288 HD11 ILE 34 3HD1 ILE 34 -0.446 -1.906 -3.034 289 HD12 ILE 34 1HD1 ILE 34 -0.428 -0.395 -2.063 290 HD13 ILE 34 2HD1 ILE 34 -1.667 -1.655 -1.741 291 H HIS 35 H HIS 35 -6.015 -2.311 -4.276 292 HA HIS 35 HA HIS 35 -5.889 -4.070 -6.478 293 HB2 HIS 35 2HB HIS 35 -6.798 -4.700 -4.272 294 HB3 HIS 35 3HB HIS 35 -8.092 -3.506 -4.433 295 HD2 HIS 35 HD2 HIS 35 -10.398 -4.654 -5.323 296 HE1 HIS 35 HE1 HIS 35 -8.661 -7.932 -7.460 297 H ILE 36 H ILE 36 -7.735 -1.039 -5.839 298 HA ILE 36 HA ILE 36 -9.602 -1.432 -7.906 299 HB ILE 36 HB ILE 36 -8.565 1.046 -6.452 300 HG12 ILE 36 2HG1 ILE 36 -11.296 -0.309 -6.351 301 HG13 ILE 36 3HG1 ILE 36 -9.968 -0.745 -5.268 302 HG21 ILE 36 1HG2 ILE 36 -10.455 2.278 -7.466 303 HG22 ILE 36 2HG2 ILE 36 -9.282 1.714 -8.705 304 HG23 ILE 36 3HG2 ILE 36 -10.839 0.846 -8.480 305 HD11 ILE 36 3HD1 ILE 36 -11.235 2.021 -5.511 306 HD12 ILE 36 1HD1 ILE 36 -11.506 0.835 -4.190 307 HD13 ILE 36 2HD1 ILE 36 -9.886 1.579 -4.411 308 H VAL 37 H VAL 37 -6.390 0.295 -7.759 309 HA VAL 37 HA VAL 37 -6.750 1.258 -10.440 310 HB VAL 37 HB VAL 37 -4.371 1.350 -8.515 311 HG11 VAL 37 1HG1 VAL 37 -3.463 3.081 -10.035 312 HG12 VAL 37 2HG1 VAL 37 -3.626 1.491 -10.854 313 HG13 VAL 37 3HG1 VAL 37 -4.824 2.791 -11.170 314 HG21 VAL 37 3HG2 VAL 37 -6.332 2.604 -7.724 315 HG22 VAL 37 1HG2 VAL 37 -5.021 3.721 -8.232 316 HG23 VAL 37 2HG2 VAL 37 -6.439 3.455 -9.302 317 H GLU 38 H GLU 38 -4.861 -1.341 -8.755 318 HA GLU 38 HA GLU 38 -3.616 -2.018 -11.326 319 HB2 GLU 38 2HB GLU 38 -2.210 -1.666 -9.256 320 HB3 GLU 38 3HB GLU 38 -3.040 -3.032 -8.501 321 HG2 GLU 38 2HG GLU 38 -0.819 -3.650 -9.446 322 HG3 GLU 38 3HG GLU 38 -2.144 -4.585 -10.152 323 H ASN 39 H ASN 39 -3.762 -4.155 -12.214 324 HA ASN 39 HA ASN 39 -6.256 -5.445 -11.477 325 HB2 ASN 39 2HB ASN 39 -4.307 -5.817 -13.780 326 HB3 ASN 39 3HB ASN 39 -5.735 -6.830 -13.532 327 HD21 ASN 39 1HD2 ASN 39 -5.203 -5.246 -15.793 328 HD22 ASN 39 2HD2 ASN 39 -6.503 -4.109 -15.931 329 H THR 40 H THR 40 -5.261 -6.163 -9.309 330 HA THR 40 HA THR 40 -4.277 -8.840 -9.656 331 HB THR 40 HB THR 40 -2.615 -6.759 -8.142 332 HG1 THR 40 HG1 THR 40 -1.267 -8.219 -10.036 333 HG21 THR 40 3HG2 THR 40 -2.203 -9.761 -8.552 334 HG22 THR 40 1HG2 THR 40 -1.050 -8.640 -7.752 335 HG23 THR 40 2HG2 THR 40 -2.657 -8.953 -7.014 336 HA PRO 41 HA PRO 41 -7.041 -9.158 -6.128 337 HB2 PRO 41 2HB PRO 41 -5.453 -11.752 -5.851 338 HB3 PRO 41 3HB PRO 41 -7.208 -11.536 -5.857 339 HG2 PRO 41 2HG PRO 41 -6.016 -12.530 -8.022 340 HG3 PRO 41 3HG PRO 41 -7.315 -11.346 -8.220 341 HD2 PRO 41 2HD PRO 41 -4.311 -10.937 -8.459 342 HD3 PRO 41 3HD PRO 41 -5.608 -10.251 -9.447 343 H ILE 42 H ILE 42 -6.971 -8.771 -3.962 344 HA ILE 42 HA ILE 42 -4.635 -7.548 -3.079 345 HB ILE 42 HB ILE 42 -7.130 -8.536 -1.622 346 HG12 ILE 42 2HG1 ILE 42 -6.186 -5.714 -2.305 347 HG13 ILE 42 3HG1 ILE 42 -7.274 -6.658 -3.329 348 HG21 ILE 42 1HG2 ILE 42 -6.399 -7.156 0.296 349 HG22 ILE 42 2HG2 ILE 42 -5.260 -8.505 -0.030 350 HG23 ILE 42 3HG2 ILE 42 -4.840 -6.834 -0.536 351 HD11 ILE 42 3HD1 ILE 42 -7.817 -5.827 -0.444 352 HD12 ILE 42 1HD1 ILE 42 -8.526 -5.089 -1.920 353 HD13 ILE 42 2HD1 ILE 42 -8.922 -6.786 -1.485 354 H LYS 43 H LYS 43 -5.919 -10.894 -2.593 355 HA LYS 43 HA LYS 43 -4.138 -11.545 -0.486 356 HB2 LYS 43 2HB LYS 43 -5.731 -13.217 -2.483 357 HB3 LYS 43 3HB LYS 43 -4.786 -13.915 -1.161 358 HG2 LYS 43 2HG LYS 43 -6.175 -12.682 0.496 359 HG3 LYS 43 3HG LYS 43 -7.108 -11.954 -0.818 360 HD2 LYS 43 2HD LYS 43 -7.833 -14.218 -1.575 361 HD3 LYS 43 3HD LYS 43 -6.875 -14.965 -0.290 362 HE2 LYS 43 2HE LYS 43 -8.233 -13.765 1.429 363 HE3 LYS 43 3HE LYS 43 -9.184 -12.999 0.150 364 HZ1 LYS 43 3HZ LYS 43 -9.020 -15.903 0.639 365 HZ2 LYS 43 1HZ LYS 43 -10.279 -14.938 1.024 366 HZ3 LYS 43 2HZ LYS 43 -9.898 -15.196 -0.542 367 H ARG 44 H ARG 44 -3.686 -11.164 -3.946 368 HA ARG 44 HA ARG 44 -1.358 -12.947 -3.861 369 HB2 ARG 44 2HB ARG 44 -2.834 -11.744 -6.218 370 HB3 ARG 44 3HB ARG 44 -1.381 -12.747 -6.321 371 HG2 ARG 44 2HG ARG 44 -2.580 -14.645 -5.312 372 HG3 ARG 44 3HG ARG 44 -4.026 -13.649 -5.099 373 HD2 ARG 44 2HD ARG 44 -4.093 -13.335 -7.578 374 HD3 ARG 44 3HD ARG 44 -2.750 -14.478 -7.712 375 HE ARG 44 HE ARG 44 -4.801 -15.730 -6.230 376 HH11 ARG 44 1HH1 ARG 44 -4.289 -14.513 -9.487 377 HH12 ARG 44 2HH1 ARG 44 -5.343 -15.680 -10.213 378 HH21 ARG 44 1HH2 ARG 44 -6.155 -17.213 -7.172 379 HH22 ARG 44 2HH2 ARG 44 -6.416 -17.231 -8.884 380 H MET 45 H MET 45 -2.385 -9.529 -4.372 381 HA MET 45 HA MET 45 0.125 -8.570 -5.218 382 HB2 MET 45 2HB MET 45 -1.991 -7.322 -5.430 383 HB3 MET 45 3HB MET 45 -2.159 -7.258 -3.671 384 HG2 MET 45 2HG MET 45 0.316 -6.102 -4.986 385 HG3 MET 45 3HG MET 45 -1.200 -5.192 -5.013 386 HE1 MET 45 3HE MET 45 -2.429 -5.679 -1.688 387 HE2 MET 45 1HE MET 45 -1.899 -3.962 -1.674 388 HE3 MET 45 2HE MET 45 -2.578 -4.681 -3.174 389 H GLN 46 H GLN 46 2.014 -8.122 -4.132 390 HA GLN 46 HA GLN 46 1.971 -8.625 -1.238 391 HB2 GLN 46 2HB GLN 46 4.320 -8.430 -3.188 392 HB3 GLN 46 3HB GLN 46 4.404 -8.916 -1.490 393 HG2 GLN 46 2HG GLN 46 2.943 -10.427 -3.708 394 HG3 GLN 46 3HG GLN 46 4.520 -10.854 -3.029 395 HE21 GLN 46 1HE2 GLN 46 1.336 -11.646 -2.951 396 HE22 GLN 46 2HE2 GLN 46 1.212 -12.311 -1.357 397 H LEU 47 H LEU 47 2.311 -6.972 0.219 398 HA LEU 47 HA LEU 47 3.077 -4.369 -0.953 399 HB2 LEU 47 2HB LEU 47 0.670 -4.469 -0.431 400 HB3 LEU 47 3HB LEU 47 1.019 -5.041 1.206 401 HG LEU 47 HG LEU 47 2.175 -2.857 1.698 402 HD11 LEU 47 1HD1 LEU 47 1.861 -0.982 0.128 403 HD12 LEU 47 2HD1 LEU 47 2.835 -2.299 -0.607 404 HD13 LEU 47 3HD1 LEU 47 1.109 -2.099 -1.061 405 HD21 LEU 47 3HD2 LEU 47 -0.196 -3.235 2.277 406 HD22 LEU 47 1HD2 LEU 47 0.090 -1.527 1.801 407 HD23 LEU 47 2HD2 LEU 47 -0.691 -2.662 0.649 408 H TYR 48 H TYR 48 4.993 -3.629 -0.154 409 HA TYR 48 HA TYR 48 5.636 -4.309 2.635 410 HB2 TYR 48 2HB TYR 48 7.967 -4.775 1.941 411 HB3 TYR 48 3HB TYR 48 6.825 -5.929 1.241 412 HD1 TYR 48 HD1 TYR 48 6.282 -5.853 -1.178 413 HD2 TYR 48 HD2 TYR 48 9.206 -3.221 0.538 414 HE1 TYR 48 HE1 TYR 48 7.152 -5.348 -3.442 415 HE2 TYR 48 HE2 TYR 48 10.079 -2.710 -1.722 416 HH TYR 48 HH TYR 48 8.623 -4.231 -4.646 417 H TYR 49 H TYR 49 7.280 -2.830 3.601 418 HA TYR 49 HA TYR 49 7.511 -0.275 2.201 419 HB2 TYR 49 2HB TYR 49 5.358 -0.117 3.364 420 HB3 TYR 49 3HB TYR 49 6.080 -0.706 4.867 421 HD1 TYR 49 HD1 TYR 49 6.719 2.033 2.341 422 HD2 TYR 49 HD2 TYR 49 6.556 0.894 6.476 423 HE1 TYR 49 HE1 TYR 49 7.249 4.358 2.998 424 HE2 TYR 49 HE2 TYR 49 7.083 3.219 7.141 425 HH TYR 49 HH TYR 49 7.521 5.278 6.471 426 H SER 50 H SER 50 9.412 0.806 2.719 427 HA SER 50 HA SER 50 11.550 -0.280 3.909 428 HB2 SER 50 2HB SER 50 11.505 1.910 2.779 429 HB3 SER 50 3HB SER 50 10.591 2.610 4.121 430 HG SER 50 HG SER 50 12.858 3.051 4.267 431 H GLY 51 H GLY 51 12.281 -0.859 5.944 432 HA2 GLY 51 2HA GLY 51 12.263 -0.973 8.229 433 HA3 GLY 51 3HA GLY 51 10.867 0.111 8.288 434 H ILE 52 H ILE 52 8.738 -0.754 8.349 435 HA ILE 52 HA ILE 52 8.714 -3.612 8.890 436 HB ILE 52 HB ILE 52 6.643 -1.404 9.349 437 HG12 ILE 52 2HG1 ILE 52 8.301 -3.007 11.350 438 HG13 ILE 52 3HG1 ILE 52 8.754 -1.403 10.761 439 HG21 ILE 52 1HG2 ILE 52 5.401 -3.103 10.646 440 HG22 ILE 52 2HG2 ILE 52 5.545 -3.557 8.914 441 HG23 ILE 52 3HG2 ILE 52 6.589 -4.352 10.141 442 HD11 ILE 52 3HD1 ILE 52 6.195 -2.088 12.273 443 HD12 ILE 52 1HD1 ILE 52 7.642 -1.262 12.942 444 HD13 ILE 52 2HD1 ILE 52 6.655 -0.459 11.674 445 H GLU 53 H GLU 53 7.873 -5.095 7.443 446 HA GLU 53 HA GLU 53 6.722 -4.254 4.986 447 HB2 GLU 53 2HB GLU 53 8.000 -6.362 5.299 448 HB3 GLU 53 3HB GLU 53 6.752 -6.965 6.398 449 HG2 GLU 53 2HG GLU 53 5.089 -6.937 4.557 450 HG3 GLU 53 3HG GLU 53 6.300 -6.274 3.452 451 H LEU 54 H LEU 54 4.544 -4.183 4.305 452 HA LEU 54 HA LEU 54 2.777 -3.626 6.535 453 HB2 LEU 54 2HB LEU 54 2.292 -3.379 3.530 454 HB3 LEU 54 3HB LEU 54 1.355 -2.628 4.828 455 HG LEU 54 HG LEU 54 4.248 -1.966 4.068 456 HD11 LEU 54 1HD1 LEU 54 3.287 0.217 3.441 457 HD12 LEU 54 2HD1 LEU 54 2.557 -1.122 2.492 458 HD13 LEU 54 3HD1 LEU 54 1.646 -0.385 3.853 459 HD21 LEU 54 3HD2 LEU 54 3.891 -1.822 6.506 460 HD22 LEU 54 1HD2 LEU 54 4.057 -0.188 5.778 461 HD23 LEU 54 2HD2 LEU 54 2.434 -0.806 6.238 462 H ALA 55 H ALA 55 2.848 -6.129 7.059 463 HA ALA 55 HA ALA 55 1.025 -7.572 5.245 464 HB1 ALA 55 3HB ALA 55 3.122 -8.577 7.231 465 HB2 ALA 55 1HB ALA 55 2.057 -9.609 6.218 466 HB3 ALA 55 2HB ALA 55 3.278 -8.545 5.442 467 H ASP 56 H ASP 56 1.124 -5.939 8.257 468 HA ASP 56 HA ASP 56 -0.758 -7.788 9.516 469 HB2 ASP 56 2HB ASP 56 1.108 -6.797 10.836 470 HB3 ASP 56 3HB ASP 56 0.512 -5.173 10.467 471 H ASP 57 H ASP 57 -2.863 -7.614 8.810 472 HA ASP 57 HA ASP 57 -3.742 -5.341 7.386 473 HB2 ASP 57 2HB ASP 57 -5.121 -7.779 8.588 474 HB3 ASP 57 3HB ASP 57 -6.024 -6.519 7.735 475 H TYR 58 H TYR 58 -3.672 -6.113 10.849 476 HA TYR 58 HA TYR 58 -5.946 -4.361 11.371 477 HB2 TYR 58 2HB TYR 58 -4.226 -6.154 13.154 478 HB3 TYR 58 3HB TYR 58 -5.577 -5.171 13.735 479 HD1 TYR 58 HD1 TYR 58 -7.916 -5.676 12.933 480 HD2 TYR 58 HD2 TYR 58 -4.602 -8.256 12.052 481 HE1 TYR 58 HE1 TYR 58 -9.491 -7.506 12.391 482 HE2 TYR 58 HE2 TYR 58 -6.170 -10.091 11.505 483 HH TYR 58 HH TYR 58 -9.733 -9.602 11.737 484 H ARG 59 H ARG 59 -2.497 -4.138 11.098 485 HA ARG 59 HA ARG 59 -2.216 -2.068 13.076 486 HB2 ARG 59 2HB ARG 59 -0.375 -3.588 12.520 487 HB3 ARG 59 3HB ARG 59 -0.349 -2.963 10.866 488 HG2 ARG 59 2HG ARG 59 0.326 -0.764 11.624 489 HG3 ARG 59 3HG ARG 59 0.077 -1.209 13.318 490 HD2 ARG 59 2HD ARG 59 2.107 -2.492 11.481 491 HD3 ARG 59 3HD ARG 59 2.446 -1.138 12.566 492 HE ARG 59 HE ARG 59 2.076 -3.938 13.299 493 HH11 ARG 59 1HH1 ARG 59 2.283 -0.625 14.448 494 HH12 ARG 59 2HH1 ARG 59 2.633 -1.092 16.078 495 HH21 ARG 59 1HH2 ARG 59 2.534 -4.523 15.389 496 HH22 ARG 59 2HH2 ARG 59 2.779 -3.330 16.621 497 H ASN 60 H ASN 60 -2.264 0.167 12.777 498 HA ASN 60 HA ASN 60 -3.647 1.010 10.400 499 HB2 ASN 60 2HB ASN 60 -2.667 2.490 12.869 500 HB3 ASN 60 3HB ASN 60 -3.553 3.253 11.542 501 HD21 ASN 60 1HD2 ASN 60 -3.900 2.146 14.531 502 HD22 ASN 60 2HD2 ASN 60 -5.581 1.729 14.511 503 H LEU 61 H LEU 61 -2.913 2.816 8.999 504 HA LEU 61 HA LEU 61 -0.285 2.576 8.099 505 HB2 LEU 61 2HB LEU 61 -2.341 4.821 7.849 506 HB3 LEU 61 3HB LEU 61 -0.813 4.787 6.961 507 HG LEU 61 HG LEU 61 -2.970 2.623 6.752 508 HD11 LEU 61 1HD1 LEU 61 -3.476 3.638 4.559 509 HD12 LEU 61 2HD1 LEU 61 -3.781 4.788 5.904 510 HD13 LEU 61 3HD1 LEU 61 -2.304 4.956 4.896 511 HD21 LEU 61 3HD2 LEU 61 -0.677 1.852 6.259 512 HD22 LEU 61 1HD2 LEU 61 -1.667 1.935 4.763 513 HD23 LEU 61 2HD2 LEU 61 -0.458 3.217 5.112 514 H ASN 62 H ASN 62 -1.760 4.878 10.497 515 HA ASN 62 HA ASN 62 0.573 6.401 10.856 516 HB2 ASN 62 2HB ASN 62 -1.735 7.018 11.595 517 HB3 ASN 62 3HB ASN 62 -1.633 5.782 12.856 518 HD21 ASN 62 1HD2 ASN 62 -0.970 6.407 14.756 519 HD22 ASN 62 2HD2 ASN 62 0.035 7.774 15.106 520 H GLU 63 H GLU 63 -0.598 3.310 12.360 521 HA GLU 63 HA GLU 63 1.471 3.209 14.297 522 HB2 GLU 63 2HB GLU 63 -0.391 1.147 13.041 523 HB3 GLU 63 3HB GLU 63 0.812 0.712 14.262 524 HG2 GLU 63 2HG GLU 63 -0.242 2.205 15.904 525 HG3 GLU 63 3HG GLU 63 -1.375 2.805 14.686 526 H TYR 64 H TYR 64 1.287 2.369 10.827 527 HA TYR 64 HA TYR 64 3.706 0.839 10.859 528 HB2 TYR 64 2HB TYR 64 1.889 2.080 8.779 529 HB3 TYR 64 3HB TYR 64 3.510 1.558 8.302 530 HD1 TYR 64 HD1 TYR 64 4.118 -0.919 9.335 531 HD2 TYR 64 HD2 TYR 64 0.188 0.542 8.422 532 HE1 TYR 64 HE1 TYR 64 3.309 -3.248 9.112 533 HE2 TYR 64 HE2 TYR 64 -0.630 -1.784 8.198 534 HH TYR 64 HH TYR 64 -0.153 -3.957 8.614 535 H GLY 65 H GLY 65 2.930 4.279 10.991 536 HA2 GLY 65 2HA GLY 65 4.417 5.990 11.245 537 HA3 GLY 65 3HA GLY 65 5.754 4.909 10.833 538 H ILE 66 H ILE 66 2.862 5.099 8.721 539 HA ILE 66 HA ILE 66 4.658 5.888 6.598 540 HB ILE 66 HB ILE 66 1.734 4.993 6.658 541 HG12 ILE 66 2HG1 ILE 66 4.212 3.623 5.515 542 HG13 ILE 66 3HG1 ILE 66 3.586 3.315 7.140 543 HG21 ILE 66 1HG2 ILE 66 1.878 4.907 4.190 544 HG22 ILE 66 2HG2 ILE 66 2.075 6.580 4.814 545 HG23 ILE 66 3HG2 ILE 66 3.511 5.652 4.263 546 HD11 ILE 66 3HD1 ILE 66 2.069 2.862 4.531 547 HD12 ILE 66 1HD1 ILE 66 2.825 1.599 5.561 548 HD13 ILE 66 2HD1 ILE 66 1.433 2.550 6.182 549 H THR 67 H THR 67 4.618 7.878 5.498 550 HA THR 67 HA THR 67 2.927 9.869 6.832 551 HB THR 67 HB THR 67 4.657 11.498 6.322 552 HG1 THR 67 HG1 THR 67 5.835 9.294 4.835 553 HG21 THR 67 3HG2 THR 67 5.916 8.904 7.341 554 HG22 THR 67 1HG2 THR 67 6.584 10.556 7.562 555 HG23 THR 67 2HG2 THR 67 5.022 10.109 8.328 556 H GLU 68 H GLU 68 2.791 11.993 5.247 557 HA GLU 68 HA GLU 68 1.301 11.072 2.974 558 HB2 GLU 68 2HB GLU 68 0.800 13.422 2.653 559 HB3 GLU 68 3HB GLU 68 0.630 13.019 4.367 560 HG2 GLU 68 2HG GLU 68 2.923 13.989 4.781 561 HG3 GLU 68 3HG GLU 68 2.997 14.467 3.080 562 H PHE 69 H PHE 69 4.645 11.471 3.503 563 HA PHE 69 HA PHE 69 5.061 12.189 0.672 564 HB2 PHE 69 2HB PHE 69 6.965 12.302 3.063 565 HB3 PHE 69 3HB PHE 69 7.385 12.724 1.398 566 HD1 PHE 69 HD1 PHE 69 5.900 14.587 0.274 567 HD2 PHE 69 HD2 PHE 69 6.200 13.961 4.513 568 HE1 PHE 69 HE1 PHE 69 5.140 16.909 0.670 569 HE2 PHE 69 HE2 PHE 69 5.437 16.284 4.909 570 HZ PHE 69 HZ PHE 69 4.909 17.762 2.989 571 H SER 70 H SER 70 4.879 9.528 2.808 572 HA SER 70 HA SER 70 7.175 8.067 2.079 573 HB2 SER 70 2HB SER 70 4.412 7.294 3.099 574 HB3 SER 70 3HB SER 70 5.699 6.112 2.829 575 HG SER 70 HG SER 70 6.528 6.670 4.681 576 H GLU 71 H GLU 71 7.704 6.919 0.254 577 HA GLU 71 HA GLU 71 5.526 6.447 -1.674 578 HB2 GLU 71 2HB GLU 71 8.558 6.598 -2.025 579 HB3 GLU 71 3HB GLU 71 7.420 6.157 -3.305 580 HG2 GLU 71 2HG GLU 71 6.398 8.368 -3.263 581 HG3 GLU 71 3HG GLU 71 7.308 8.822 -1.816 582 H ILE 72 H ILE 72 4.916 4.349 -2.137 583 HA ILE 72 HA ILE 72 6.521 2.287 -0.788 584 HB ILE 72 HB ILE 72 3.496 2.442 -1.246 585 HG12 ILE 72 2HG1 ILE 72 5.177 2.531 1.304 586 HG13 ILE 72 3HG1 ILE 72 4.364 3.913 0.557 587 HG21 ILE 72 1HG2 ILE 72 3.398 0.340 0.052 588 HG22 ILE 72 2HG2 ILE 72 4.320 0.140 -1.476 589 HG23 ILE 72 3HG2 ILE 72 5.193 0.283 0.087 590 HD11 ILE 72 3HD1 ILE 72 2.990 1.429 1.677 591 HD12 ILE 72 1HD1 ILE 72 3.072 3.046 2.453 592 HD13 ILE 72 2HD1 ILE 72 2.165 2.832 0.918 593 H VAL 73 H VAL 73 7.381 0.718 -2.117 594 HA VAL 73 HA VAL 73 6.337 0.552 -4.832 595 HB VAL 73 HB VAL 73 8.780 -0.729 -3.502 596 HG11 VAL 73 1HG1 VAL 73 9.465 -1.303 -5.812 597 HG12 VAL 73 2HG1 VAL 73 7.921 -2.099 -5.356 598 HG13 VAL 73 3HG1 VAL 73 7.906 -0.659 -6.429 599 HG21 VAL 73 3HG2 VAL 73 8.965 1.714 -3.704 600 HG22 VAL 73 1HG2 VAL 73 10.066 0.891 -4.860 601 HG23 VAL 73 2HG2 VAL 73 8.530 1.616 -5.444 602 H VAL 74 H VAL 74 5.170 -1.229 -5.608 603 HA VAL 74 HA VAL 74 4.575 -3.233 -3.541 604 HB VAL 74 HB VAL 74 2.753 -2.062 -5.704 605 HG11 VAL 74 1HG1 VAL 74 0.972 -3.390 -4.612 606 HG12 VAL 74 2HG1 VAL 74 2.272 -4.434 -5.279 607 HG13 VAL 74 3HG1 VAL 74 2.193 -4.115 -3.513 608 HG21 VAL 74 3HG2 VAL 74 3.169 -0.495 -3.858 609 HG22 VAL 74 1HG2 VAL 74 1.488 -1.124 -3.795 610 HG23 VAL 74 2HG2 VAL 74 2.729 -1.763 -2.665 611 H PHE 75 H PHE 75 4.555 -5.434 -4.157 612 HA PHE 75 HA PHE 75 5.593 -5.895 -6.878 613 HB2 PHE 75 2HB PHE 75 7.160 -6.473 -5.081 614 HB3 PHE 75 3HB PHE 75 5.925 -7.438 -4.261 615 HD1 PHE 75 HD1 PHE 75 7.935 -7.213 -7.407 616 HD2 PHE 75 HD2 PHE 75 5.594 -9.711 -4.814 617 HE1 PHE 75 HE1 PHE 75 8.647 -9.209 -8.688 618 HE2 PHE 75 HE2 PHE 75 6.308 -11.707 -6.092 619 HZ PHE 75 HZ PHE 75 7.836 -11.459 -8.031 620 H LEU 76 H LEU 76 4.592 -7.406 -8.236 621 HA LEU 76 HA LEU 76 1.950 -8.268 -7.268 622 HB2 LEU 76 2HB LEU 76 3.073 -7.845 -10.082 623 HB3 LEU 76 3HB LEU 76 1.444 -8.432 -9.722 624 HG LEU 76 HG LEU 76 2.560 -5.681 -8.959 625 HD11 LEU 76 1HD1 LEU 76 0.941 -4.855 -10.628 626 HD12 LEU 76 2HD1 LEU 76 2.154 -5.949 -11.373 627 HD13 LEU 76 3HD1 LEU 76 0.494 -6.546 -11.035 628 HD21 LEU 76 3HD2 LEU 76 0.947 -6.549 -7.302 629 HD22 LEU 76 1HD2 LEU 76 0.233 -5.208 -8.261 630 HD23 LEU 76 2HD2 LEU 76 -0.221 -6.908 -8.619 631 H LYS 77 H LYS 77 1.489 -10.434 -7.030 632 HA LYS 77 HA LYS 77 3.381 -12.438 -7.687 633 HB2 LYS 77 2HB LYS 77 1.635 -12.610 -5.909 634 HB3 LYS 77 3HB LYS 77 0.378 -12.614 -7.153 635 HG2 LYS 77 2HG LYS 77 1.189 -14.742 -8.051 636 HG3 LYS 77 3HG LYS 77 2.589 -14.716 -6.971 637 HD2 LYS 77 2HD LYS 77 1.026 -14.758 -4.990 638 HD3 LYS 77 3HD LYS 77 -0.347 -14.862 -6.100 639 HE2 LYS 77 2HE LYS 77 0.543 -16.993 -7.031 640 HE3 LYS 77 3HE LYS 77 1.954 -16.882 -5.970 641 HZ1 LYS 77 3HZ LYS 77 -0.844 -17.115 -5.062 642 HZ2 LYS 77 1HZ LYS 77 0.267 -18.311 -5.053 643 HZ3 LYS 77 2HZ LYS 77 0.458 -17.013 -4.082 644 H SER 78 H SER 78 3.530 -13.831 -9.489 645 HA SER 78 HA SER 78 2.540 -12.561 -11.882 646 HB2 SER 78 2HB SER 78 4.046 -14.083 -13.009 647 HB3 SER 78 3HB SER 78 4.879 -13.393 -11.610 648 HG SER 78 HG SER 78 5.198 -15.679 -11.792 649 H ILE 79 H ILE 79 1.783 -14.113 -13.753 650 HA ILE 79 HA ILE 79 -0.053 -15.100 -14.498 651 HB ILE 79 HB ILE 79 0.791 -17.219 -12.455 652 HG12 ILE 79 2HG1 ILE 79 1.599 -16.821 -15.376 653 HG13 ILE 79 3HG1 ILE 79 2.622 -16.478 -13.974 654 HG21 ILE 79 1HG2 ILE 79 -0.302 -18.808 -14.002 655 HG22 ILE 79 2HG2 ILE 79 -1.465 -17.608 -13.345 656 HG23 ILE 79 3HG2 ILE 79 -0.847 -17.434 -15.022 657 HD11 ILE 79 3HD1 ILE 79 1.514 -19.215 -14.745 658 HD12 ILE 79 1HD1 ILE 79 3.198 -18.640 -14.982 659 HD13 ILE 79 2HD1 ILE 79 2.552 -18.867 -13.322 660 H ASN 80 H ASN 80 -0.810 -13.173 -12.556 661 HA ASN 80 HA ASN 80 -2.704 -14.459 -10.791 662 HB2 ASN 80 2HB ASN 80 -3.261 -12.167 -10.118 663 HB3 ASN 80 3HB ASN 80 -1.527 -12.492 -10.003 664 HD21 ASN 80 1HD2 ASN 80 -0.447 -10.749 -10.469 665 HD22 ASN 80 2HD2 ASN 80 -0.707 -9.708 -11.828 666 H ARG 81 H ARG 81 -4.972 -12.922 -10.845 667 HA ARG 81 HA ARG 81 -5.889 -12.755 -13.595 668 HB2 ARG 81 2HB ARG 81 -6.210 -15.127 -13.002 669 HB3 ARG 81 3HB ARG 81 -7.206 -14.641 -11.624 670 HG2 ARG 81 2HG ARG 81 -8.837 -13.586 -13.147 671 HG3 ARG 81 3HG ARG 81 -7.830 -14.004 -14.539 672 HD2 ARG 81 2HD ARG 81 -8.147 -16.362 -14.128 673 HD3 ARG 81 3HD ARG 81 -9.025 -16.022 -12.631 674 HE ARG 81 HE ARG 81 -10.461 -14.702 -14.591 675 HH11 ARG 81 1HH1 ARG 81 -9.407 -18.022 -14.130 676 HH12 ARG 81 2HH1 ARG 81 -10.786 -18.693 -14.935 677 HH21 ARG 81 1HH2 ARG 81 -12.217 -15.575 -15.628 678 HH22 ARG 81 2HH2 ARG 81 -12.399 -17.289 -15.795 679 H ALA 82 H ALA 82 -7.313 -11.064 -13.838 680 HA ALA 82 HA ALA 82 -9.030 -10.296 -11.657 681 HB1 ALA 82 3HB ALA 82 -6.784 -8.447 -12.606 682 HB2 ALA 82 1HB ALA 82 -8.145 -7.978 -11.532 683 HB3 ALA 82 2HB ALA 82 -6.938 -9.186 -10.976 684 H LYS 83 H LYS 83 -10.534 -8.499 -12.328 685 HA LYS 83 HA LYS 83 -11.016 -8.742 -15.207 686 HB2 LYS 83 2HB LYS 83 -12.744 -7.750 -12.891 687 HB3 LYS 83 3HB LYS 83 -13.255 -7.788 -14.584 688 HG2 LYS 83 2HG LYS 83 -12.925 -10.284 -14.595 689 HG3 LYS 83 3HG LYS 83 -12.503 -10.213 -12.879 690 HD2 LYS 83 2HD LYS 83 -14.735 -9.228 -12.357 691 HD3 LYS 83 3HD LYS 83 -15.158 -9.255 -14.074 692 HE2 LYS 83 2HE LYS 83 -14.877 -11.747 -14.095 693 HE3 LYS 83 3HE LYS 83 -14.479 -11.711 -12.373 694 HZ1 LYS 83 3HZ LYS 83 -17.038 -10.827 -13.546 695 HZ2 LYS 83 1HZ LYS 83 -16.789 -12.223 -12.736 696 HZ3 LYS 83 2HZ LYS 83 -16.671 -10.794 -11.955 697 H ASP 84 H ASP 84 -11.935 -6.701 -16.314 698 HA ASP 84 HA ASP 84 -10.044 -4.572 -15.834 699 HB2 ASP 84 2HB ASP 84 -10.630 -5.406 -18.119 700 HB3 ASP 84 3HB ASP 84 -12.302 -4.884 -17.873 Start of MODEL 6 1 H ALA 1 1H ALA 1 -10.761 21.754 3.294 2 HA ALA 1 HA ALA 1 -8.632 21.396 4.262 3 HB1 ALA 1 3HB ALA 1 -11.011 20.684 6.046 4 HB2 ALA 1 1HB ALA 1 -9.405 21.249 6.617 5 HB3 ALA 1 2HB ALA 1 -10.444 22.338 5.638 6 H ALA 2 H ALA 2 -7.011 19.929 4.590 7 HA ALA 2 HA ALA 2 -7.713 17.114 4.527 8 HB1 ALA 2 3HB ALA 2 -5.037 18.588 4.638 9 HB2 ALA 2 1HB ALA 2 -5.251 16.819 4.413 10 HB3 ALA 2 2HB ALA 2 -5.848 17.962 3.163 11 H VAL 3 H VAL 3 -8.349 16.145 6.416 12 HA VAL 3 HA VAL 3 -6.780 16.847 8.798 13 HB VAL 3 HB VAL 3 -9.780 16.261 8.634 14 HG11 VAL 3 1HG1 VAL 3 -9.783 16.715 11.067 15 HG12 VAL 3 2HG1 VAL 3 -8.769 15.292 10.653 16 HG13 VAL 3 3HG1 VAL 3 -7.994 16.866 11.036 17 HG21 VAL 3 3HG2 VAL 3 -9.203 18.527 7.880 18 HG22 VAL 3 1HG2 VAL 3 -10.033 18.576 9.472 19 HG23 VAL 3 2HG2 VAL 3 -8.253 18.798 9.380 20 H ARG 4 H ARG 4 -5.526 15.046 9.234 21 HA ARG 4 HA ARG 4 -4.941 12.954 9.610 22 HB2 ARG 4 2HB ARG 4 -7.902 12.346 9.783 23 HB3 ARG 4 3HB ARG 4 -6.584 11.280 10.284 24 HG2 ARG 4 2HG ARG 4 -5.889 12.879 12.009 25 HG3 ARG 4 3HG ARG 4 -7.106 14.041 11.466 26 HD2 ARG 4 2HD ARG 4 -8.856 12.314 12.002 27 HD3 ARG 4 3HD ARG 4 -7.574 11.339 12.733 28 HE ARG 4 HE ARG 4 -7.469 13.903 13.900 29 HH11 ARG 4 1HH1 ARG 4 -9.694 11.187 13.753 30 HH12 ARG 4 2HH1 ARG 4 -10.351 11.492 15.326 31 HH21 ARG 4 1HH2 ARG 4 -8.327 14.290 15.908 32 HH22 ARG 4 2HH2 ARG 4 -9.568 13.275 16.564 33 H LYS 5 H LYS 5 -5.757 14.032 6.784 34 HA LYS 5 HA LYS 5 -6.066 11.408 5.491 35 HB2 LYS 5 2HB LYS 5 -6.295 14.246 4.375 36 HB3 LYS 5 3HB LYS 5 -6.554 12.755 3.461 37 HG2 LYS 5 2HG LYS 5 -8.221 13.656 5.863 38 HG3 LYS 5 3HG LYS 5 -8.683 13.854 4.167 39 HD2 LYS 5 2HD LYS 5 -8.532 11.345 3.873 40 HD3 LYS 5 3HD LYS 5 -8.178 11.191 5.599 41 HE2 LYS 5 2HE LYS 5 -10.366 12.407 6.081 42 HE3 LYS 5 3HE LYS 5 -10.724 12.346 4.351 43 HZ1 LYS 5 3HZ LYS 5 -10.273 9.997 6.079 44 HZ2 LYS 5 1HZ LYS 5 -11.719 10.513 5.525 45 HZ3 LYS 5 2HZ LYS 5 -10.603 9.940 4.481 46 H ILE 6 H ILE 6 -4.488 10.599 4.063 47 HA ILE 6 HA ILE 6 -2.125 12.282 3.696 48 HB ILE 6 HB ILE 6 -0.671 10.298 4.164 49 HG12 ILE 6 2HG1 ILE 6 -3.238 9.042 5.247 50 HG13 ILE 6 3HG1 ILE 6 -2.459 8.586 3.726 51 HG21 ILE 6 1HG2 ILE 6 -0.883 10.366 6.627 52 HG22 ILE 6 2HG2 ILE 6 -1.041 12.000 5.897 53 HG23 ILE 6 3HG2 ILE 6 -2.503 11.123 6.463 54 HD11 ILE 6 3HD1 ILE 6 -1.212 8.364 6.503 55 HD12 ILE 6 1HD1 ILE 6 -1.879 7.016 5.521 56 HD13 ILE 6 2HD1 ILE 6 -0.422 7.901 4.958 57 H HIS 7 H HIS 7 -0.812 11.667 1.795 58 HA HIS 7 HA HIS 7 -2.203 9.785 0.004 59 HB2 HIS 7 2HB HIS 7 -0.192 12.024 -0.545 60 HB3 HIS 7 3HB HIS 7 -0.757 10.879 -1.768 61 HD2 HIS 7 HD2 HIS 7 -1.951 14.120 0.033 62 HE1 HIS 7 HE1 HIS 7 -5.084 12.843 -2.589 63 H VAL 8 H VAL 8 -1.035 8.047 -0.963 64 HA VAL 8 HA VAL 8 1.674 7.681 0.123 65 HB VAL 8 HB VAL 8 -0.467 5.561 -0.422 66 HG11 VAL 8 1HG1 VAL 8 1.184 3.968 0.514 67 HG12 VAL 8 2HG1 VAL 8 1.788 4.754 -0.983 68 HG13 VAL 8 3HG1 VAL 8 2.393 5.292 0.620 69 HG21 VAL 8 3HG2 VAL 8 -0.886 6.841 1.635 70 HG22 VAL 8 1HG2 VAL 8 -0.356 5.169 2.020 71 HG23 VAL 8 2HG2 VAL 8 0.797 6.536 2.182 72 H THR 9 H THR 9 3.284 7.124 -1.372 73 HA THR 9 HA THR 9 2.462 7.246 -4.143 74 HB THR 9 HB THR 9 5.217 7.133 -2.809 75 HG1 THR 9 HG1 THR 9 5.235 9.398 -3.491 76 HG21 THR 9 3HG2 THR 9 4.438 7.636 -5.722 77 HG22 THR 9 1HG2 THR 9 6.091 7.777 -5.035 78 HG23 THR 9 2HG2 THR 9 5.273 6.179 -5.083 79 H VAL 10 H VAL 10 2.143 5.425 -5.393 80 HA VAL 10 HA VAL 10 3.035 2.900 -4.220 81 HB VAL 10 HB VAL 10 1.004 3.451 -6.446 82 HG11 VAL 10 1HG1 VAL 10 0.330 1.100 -6.078 83 HG12 VAL 10 2HG1 VAL 10 2.040 1.230 -6.611 84 HG13 VAL 10 3HG1 VAL 10 1.659 0.910 -4.886 85 HG21 VAL 10 3HG2 VAL 10 0.253 4.351 -4.285 86 HG22 VAL 10 1HG2 VAL 10 -0.699 2.897 -4.737 87 HG23 VAL 10 2HG2 VAL 10 0.594 2.774 -3.496 88 H LYS 11 H LYS 11 4.859 1.953 -5.075 89 HA LYS 11 HA LYS 11 5.651 2.812 -7.778 90 HB2 LYS 11 2HB LYS 11 7.251 1.621 -5.461 91 HB3 LYS 11 3HB LYS 11 7.914 2.004 -7.056 92 HG2 LYS 11 2HG LYS 11 7.341 4.413 -6.711 93 HG3 LYS 11 3HG LYS 11 6.691 4.026 -5.112 94 HD2 LYS 11 2HD LYS 11 8.975 3.062 -4.498 95 HD3 LYS 11 3HD LYS 11 9.586 3.659 -6.047 96 HE2 LYS 11 2HE LYS 11 8.904 5.987 -5.410 97 HE3 LYS 11 3HE LYS 11 8.313 5.384 -3.856 98 HZ1 LYS 11 3HZ LYS 11 10.990 5.902 -4.685 99 HZ2 LYS 11 1HZ LYS 11 10.371 5.787 -3.178 100 HZ3 LYS 11 2HZ LYS 11 10.837 4.440 -3.974 101 H PHE 12 H PHE 12 5.061 1.337 -9.365 102 HA PHE 12 HA PHE 12 5.812 -1.453 -8.771 103 HB2 PHE 12 2HB PHE 12 4.053 -0.203 -10.932 104 HB3 PHE 12 3HB PHE 12 4.597 -1.885 -10.975 105 HD1 PHE 12 HD1 PHE 12 3.802 -3.507 -9.273 106 HD2 PHE 12 HD2 PHE 12 2.325 0.524 -9.406 107 HE1 PHE 12 HE1 PHE 12 1.885 -4.164 -7.853 108 HE2 PHE 12 HE2 PHE 12 0.413 -0.131 -7.977 109 HZ PHE 12 HZ PHE 12 0.187 -2.475 -7.200 110 HA PRO 13 HA PRO 13 9.346 -1.158 -11.423 111 HB2 PRO 13 2HB PRO 13 9.159 -3.593 -12.792 112 HB3 PRO 13 3HB PRO 13 9.708 -3.502 -11.114 113 HG2 PRO 13 2HG PRO 13 6.938 -4.140 -12.182 114 HG3 PRO 13 3HG PRO 13 7.849 -4.956 -10.905 115 HD2 PRO 13 2HD PRO 13 5.910 -3.185 -10.258 116 HD3 PRO 13 3HD PRO 13 7.397 -3.247 -9.303 117 H SER 14 H SER 14 6.133 -1.633 -12.849 118 HA SER 14 HA SER 14 7.281 -0.891 -15.462 119 HB2 SER 14 2HB SER 14 5.212 -1.810 -16.388 120 HB3 SER 14 3HB SER 14 6.034 -3.013 -15.385 121 HG SER 14 HG SER 14 3.758 -2.927 -14.979 122 H LYS 15 H LYS 15 5.433 0.323 -12.747 123 HA LYS 15 HA LYS 15 4.762 2.728 -14.179 124 HB2 LYS 15 2HB LYS 15 2.352 2.557 -13.868 125 HB3 LYS 15 3HB LYS 15 2.923 1.229 -14.886 126 HG2 LYS 15 2HG LYS 15 2.929 -0.236 -12.776 127 HG3 LYS 15 3HG LYS 15 2.098 1.089 -11.950 128 HD2 LYS 15 2HD LYS 15 1.085 -0.201 -14.538 129 HD3 LYS 15 3HD LYS 15 0.571 -0.707 -12.923 130 HE2 LYS 15 2HE LYS 15 -0.212 1.645 -12.464 131 HE3 LYS 15 3HE LYS 15 0.246 2.099 -14.111 132 HZ1 LYS 15 3HZ LYS 15 -1.754 0.048 -13.405 133 HZ2 LYS 15 1HZ LYS 15 -2.078 1.549 -13.958 134 HZ3 LYS 15 2HZ LYS 15 -1.332 0.467 -14.926 135 H GLN 16 H GLN 16 3.852 4.401 -12.687 136 HA GLN 16 HA GLN 16 3.806 3.587 -9.872 137 HB2 GLN 16 2HB GLN 16 5.328 5.977 -11.027 138 HB3 GLN 16 3HB GLN 16 4.996 5.741 -9.306 139 HG2 GLN 16 2HG GLN 16 6.266 3.568 -9.404 140 HG3 GLN 16 3HG GLN 16 6.669 3.915 -11.091 141 HE21 GLN 16 1HE2 GLN 16 8.843 3.597 -9.795 142 HE22 GLN 16 2HE2 GLN 16 9.607 5.064 -9.282 143 H PHE 17 H PHE 17 2.395 4.911 -8.545 144 HA PHE 17 HA PHE 17 1.153 7.236 -9.644 145 HB2 PHE 17 2HB PHE 17 -1.148 6.351 -9.675 146 HB3 PHE 17 3HB PHE 17 -0.132 5.565 -10.892 147 HD1 PHE 17 HD1 PHE 17 -1.895 5.125 -7.671 148 HD2 PHE 17 HD2 PHE 17 0.460 3.213 -10.715 149 HE1 PHE 17 HE1 PHE 17 -2.513 2.909 -6.760 150 HE2 PHE 17 HE2 PHE 17 -0.163 0.998 -9.804 151 HZ PHE 17 HZ PHE 17 -1.649 0.841 -7.822 152 H THR 18 H THR 18 -0.639 8.035 -8.058 153 HA THR 18 HA THR 18 0.299 7.318 -5.368 154 HB THR 18 HB THR 18 -0.415 9.622 -4.720 155 HG1 THR 18 HG1 THR 18 -0.927 11.109 -6.484 156 HG21 THR 18 3HG2 THR 18 1.483 9.524 -7.117 157 HG22 THR 18 1HG2 THR 18 1.384 10.847 -5.906 158 HG23 THR 18 2HG2 THR 18 1.921 9.208 -5.404 159 H VAL 19 H VAL 19 -1.293 7.185 -3.629 160 HA VAL 19 HA VAL 19 -4.072 7.174 -4.578 161 HB VAL 19 HB VAL 19 -4.508 5.285 -3.000 162 HG11 VAL 19 1HG1 VAL 19 -3.450 3.512 -4.367 163 HG12 VAL 19 2HG1 VAL 19 -4.115 4.833 -5.385 164 HG13 VAL 19 3HG1 VAL 19 -2.347 4.732 -5.088 165 HG21 VAL 19 3HG2 VAL 19 -2.639 5.663 -1.451 166 HG22 VAL 19 1HG2 VAL 19 -2.600 3.990 -2.102 167 HG23 VAL 19 2HG2 VAL 19 -1.466 5.228 -2.739 168 H GLU 20 H GLU 20 -5.691 7.624 -2.834 169 HA GLU 20 HA GLU 20 -4.471 9.270 -0.714 170 HB2 GLU 20 2HB GLU 20 -5.871 10.497 -2.346 171 HB3 GLU 20 3HB GLU 20 -7.221 9.396 -2.041 172 HG2 GLU 20 2HG GLU 20 -7.295 10.167 0.342 173 HG3 GLU 20 3HG GLU 20 -5.967 11.287 0.012 174 H VAL 21 H VAL 21 -4.628 8.514 1.357 175 HA VAL 21 HA VAL 21 -6.908 6.782 1.968 176 HB VAL 21 HB VAL 21 -5.383 5.316 3.311 177 HG11 VAL 21 1HG1 VAL 21 -4.419 4.088 1.388 178 HG12 VAL 21 2HG1 VAL 21 -6.097 4.637 1.058 179 HG13 VAL 21 3HG1 VAL 21 -4.706 5.516 0.338 180 HG21 VAL 21 3HG2 VAL 21 -3.538 6.906 3.637 181 HG22 VAL 21 1HG2 VAL 21 -2.948 5.392 2.872 182 HG23 VAL 21 2HG2 VAL 21 -3.178 6.870 1.878 183 H ASP 22 H ASP 22 -7.006 6.429 4.501 184 HA ASP 22 HA ASP 22 -6.400 9.014 5.752 185 HB2 ASP 22 2HB ASP 22 -8.761 7.972 5.703 186 HB3 ASP 22 3HB ASP 22 -8.138 6.741 6.810 187 H ARG 23 H ARG 23 -5.182 9.168 7.691 188 HA ARG 23 HA ARG 23 -3.129 7.241 7.868 189 HB2 ARG 23 2HB ARG 23 -2.160 8.598 9.503 190 HB3 ARG 23 3HB ARG 23 -2.909 9.686 8.326 191 HG2 ARG 23 2HG ARG 23 -4.902 9.860 9.903 192 HG3 ARG 23 3HG ARG 23 -3.952 8.964 11.095 193 HD2 ARG 23 2HD ARG 23 -3.188 11.608 9.840 194 HD3 ARG 23 3HD ARG 23 -3.910 11.388 11.440 195 HE ARG 23 HE ARG 23 -1.611 9.835 11.470 196 HH11 ARG 23 1HH1 ARG 23 -2.306 13.227 10.862 197 HH12 ARG 23 2HH1 ARG 23 -0.792 13.769 11.504 198 HH21 ARG 23 1HH2 ARG 23 0.330 10.545 12.277 199 HH22 ARG 23 2HH2 ARG 23 0.722 12.232 12.315 200 H THR 24 H THR 24 -6.297 7.519 9.423 201 HA THR 24 HA THR 24 -5.446 5.815 11.618 202 HB THR 24 HB THR 24 -7.713 6.180 12.494 203 HG1 THR 24 HG1 THR 24 -8.140 7.700 10.044 204 HG21 THR 24 3HG2 THR 24 -6.471 8.756 11.410 205 HG22 THR 24 1HG2 THR 24 -7.644 8.642 12.765 206 HG23 THR 24 2HG2 THR 24 -6.011 7.913 12.928 207 H GLU 25 H GLU 25 -6.547 5.423 8.388 208 HA GLU 25 HA GLU 25 -8.161 3.088 8.869 209 HB2 GLU 25 2HB GLU 25 -6.993 4.497 6.446 210 HB3 GLU 25 3HB GLU 25 -7.683 2.876 6.292 211 HG2 GLU 25 2HG GLU 25 -9.219 5.232 7.484 212 HG3 GLU 25 3HG GLU 25 -9.245 4.830 5.762 213 H THR 26 H THR 26 -7.554 0.897 7.965 214 HA THR 26 HA THR 26 -4.954 0.298 9.047 215 HB THR 26 HB THR 26 -5.666 -2.059 8.802 216 HG1 THR 26 HG1 THR 26 -7.938 -2.364 8.003 217 HG21 THR 26 3HG2 THR 26 -7.882 -0.255 9.894 218 HG22 THR 26 1HG2 THR 26 -7.655 -1.994 10.280 219 HG23 THR 26 2HG2 THR 26 -6.418 -0.794 10.784 220 H VAL 27 H VAL 27 -3.592 -1.474 7.832 221 HA VAL 27 HA VAL 27 -2.711 -0.387 5.443 222 HB VAL 27 HB VAL 27 -2.385 -3.169 6.669 223 HG11 VAL 27 1HG1 VAL 27 -0.505 -3.491 5.089 224 HG12 VAL 27 2HG1 VAL 27 -2.076 -3.329 4.234 225 HG13 VAL 27 3HG1 VAL 27 -0.930 -1.947 4.276 226 HG21 VAL 27 3HG2 VAL 27 -1.416 -1.312 7.957 227 HG22 VAL 27 1HG2 VAL 27 -0.126 -2.329 7.233 228 HG23 VAL 27 2HG2 VAL 27 -0.536 -0.743 6.498 229 H SER 28 H SER 28 -5.228 -2.873 6.102 230 HA SER 28 HA SER 28 -5.289 -4.013 3.534 231 HB2 SER 28 2HB SER 28 -7.388 -4.939 4.236 232 HB3 SER 28 3HB SER 28 -6.319 -4.922 5.645 233 HG SER 28 HG SER 28 -7.361 -2.922 6.301 234 H SER 29 H SER 29 -6.652 -0.963 4.839 235 HA SER 29 HA SER 29 -8.399 -0.514 2.630 236 HB2 SER 29 2HB SER 29 -7.110 1.326 4.694 237 HB3 SER 29 3HB SER 29 -8.321 1.849 3.514 238 HG SER 29 HG SER 29 -9.167 1.253 5.643 239 H LEU 30 H LEU 30 -4.958 0.394 3.387 240 HA LEU 30 HA LEU 30 -4.550 1.911 1.053 241 HB2 LEU 30 2HB LEU 30 -3.029 1.929 2.984 242 HB3 LEU 30 3HB LEU 30 -2.676 0.210 2.768 243 HG LEU 30 HG LEU 30 -1.599 0.708 0.563 244 HD11 LEU 30 1HD1 LEU 30 -1.149 3.054 -0.050 245 HD12 LEU 30 2HD1 LEU 30 -2.911 2.707 -0.015 246 HD13 LEU 30 3HD1 LEU 30 -2.146 3.610 1.336 247 HD21 LEU 30 3HD2 LEU 30 -0.270 0.625 2.643 248 HD22 LEU 30 1HD2 LEU 30 0.387 1.847 1.503 249 HD23 LEU 30 2HD2 LEU 30 -0.584 2.371 2.920 250 H LYS 31 H LYS 31 -4.293 -1.656 1.713 251 HA LYS 31 HA LYS 31 -3.274 -2.309 -0.832 252 HB2 LYS 31 2HB LYS 31 -4.896 -3.851 1.241 253 HB3 LYS 31 3HB LYS 31 -4.279 -4.586 -0.245 254 HG2 LYS 31 2HG LYS 31 -1.940 -3.940 0.459 255 HG3 LYS 31 3HG LYS 31 -2.601 -3.327 1.981 256 HD2 LYS 31 2HD LYS 31 -3.457 -5.554 2.575 257 HD3 LYS 31 3HD LYS 31 -3.002 -6.199 0.992 258 HE2 LYS 31 2HE LYS 31 -0.586 -5.644 1.509 259 HE3 LYS 31 3HE LYS 31 -1.082 -5.119 3.123 260 HZ1 LYS 31 3HZ LYS 31 -1.577 -7.829 2.069 261 HZ2 LYS 31 1HZ LYS 31 -0.298 -7.430 3.003 262 HZ3 LYS 31 2HZ LYS 31 -1.813 -7.316 3.602 263 H ASP 32 H ASP 32 -6.643 -1.853 0.432 264 HA ASP 32 HA ASP 32 -7.989 -2.870 -1.789 265 HB2 ASP 32 2HB ASP 32 -8.967 -2.243 0.447 266 HB3 ASP 32 3HB ASP 32 -8.761 -0.537 0.029 267 H LYS 33 H LYS 33 -6.655 0.458 -1.136 268 HA LYS 33 HA LYS 33 -7.745 1.643 -3.435 269 HB2 LYS 33 2HB LYS 33 -5.285 2.232 -1.732 270 HB3 LYS 33 3HB LYS 33 -5.784 3.261 -3.081 271 HG2 LYS 33 2HG LYS 33 -7.507 2.621 -0.635 272 HG3 LYS 33 3HG LYS 33 -6.560 4.099 -0.855 273 HD2 LYS 33 2HD LYS 33 -7.862 4.637 -2.918 274 HD3 LYS 33 3HD LYS 33 -8.797 3.148 -2.724 275 HE2 LYS 33 2HE LYS 33 -9.597 3.961 -0.485 276 HE3 LYS 33 3HE LYS 33 -8.690 5.461 -0.717 277 HZ1 LYS 33 3HZ LYS 33 -10.877 4.510 -2.454 278 HZ2 LYS 33 1HZ LYS 33 -10.985 5.708 -1.350 279 HZ3 LYS 33 2HZ LYS 33 -10.040 5.895 -2.668 280 H ILE 34 H ILE 34 -4.580 -0.082 -2.872 281 HA ILE 34 HA ILE 34 -3.621 0.281 -5.469 282 HB ILE 34 HB ILE 34 -3.195 -1.933 -3.405 283 HG12 ILE 34 2HG1 ILE 34 -1.328 0.306 -4.303 284 HG13 ILE 34 3HG1 ILE 34 -2.454 0.480 -2.950 285 HG21 ILE 34 1HG2 ILE 34 -1.227 -2.599 -4.747 286 HG22 ILE 34 2HG2 ILE 34 -2.762 -2.826 -5.653 287 HG23 ILE 34 3HG2 ILE 34 -1.702 -1.424 -6.020 288 HD11 ILE 34 3HD1 ILE 34 -0.231 -1.601 -3.161 289 HD12 ILE 34 1HD1 ILE 34 -0.207 -0.110 -2.159 290 HD13 ILE 34 2HD1 ILE 34 -1.375 -1.424 -1.788 291 H HIS 35 H HIS 35 -5.863 -2.184 -4.028 292 HA HIS 35 HA HIS 35 -5.826 -3.897 -6.271 293 HB2 HIS 35 2HB HIS 35 -6.546 -4.638 -4.046 294 HB3 HIS 35 3HB HIS 35 -7.863 -3.457 -4.035 295 HD2 HIS 35 HD2 HIS 35 -10.235 -4.570 -4.800 296 HE1 HIS 35 HE1 HIS 35 -8.663 -7.789 -7.142 297 H ILE 36 H ILE 36 -7.746 -0.960 -5.426 298 HA ILE 36 HA ILE 36 -9.730 -1.341 -7.368 299 HB ILE 36 HB ILE 36 -8.598 1.134 -5.981 300 HG12 ILE 36 2HG1 ILE 36 -11.313 -0.229 -5.703 301 HG13 ILE 36 3HG1 ILE 36 -9.913 -0.663 -4.712 302 HG21 ILE 36 1HG2 ILE 36 -10.550 2.369 -6.858 303 HG22 ILE 36 2HG2 ILE 36 -9.463 1.812 -8.176 304 HG23 ILE 36 3HG2 ILE 36 -11.001 0.943 -7.852 305 HD11 ILE 36 3HD1 ILE 36 -11.204 2.098 -4.860 306 HD12 ILE 36 1HD1 ILE 36 -11.381 0.907 -3.528 307 HD13 ILE 36 2HD1 ILE 36 -9.783 1.658 -3.855 308 H VAL 37 H VAL 37 -6.483 0.301 -7.462 309 HA VAL 37 HA VAL 37 -6.936 1.315 -10.091 310 HB VAL 37 HB VAL 37 -4.416 1.024 -8.377 311 HG11 VAL 37 1HG1 VAL 37 -3.366 2.600 -9.967 312 HG12 VAL 37 2HG1 VAL 37 -3.826 1.056 -10.760 313 HG13 VAL 37 3HG1 VAL 37 -4.831 2.524 -11.003 314 HG21 VAL 37 3HG2 VAL 37 -6.095 2.548 -7.446 315 HG22 VAL 37 1HG2 VAL 37 -4.673 3.459 -8.056 316 HG23 VAL 37 2HG2 VAL 37 -6.193 3.421 -9.012 317 H GLU 38 H GLU 38 -5.319 -1.592 -8.657 318 HA GLU 38 HA GLU 38 -4.223 -2.254 -11.287 319 HB2 GLU 38 2HB GLU 38 -3.840 -3.466 -8.508 320 HB3 GLU 38 3HB GLU 38 -3.055 -4.055 -9.979 321 HG2 GLU 38 2HG GLU 38 -2.700 -1.273 -8.758 322 HG3 GLU 38 3HG GLU 38 -1.552 -2.613 -8.637 323 H ASN 39 H ASN 39 -4.187 -4.924 -11.487 324 HA ASN 39 HA ASN 39 -7.034 -5.660 -11.291 325 HB2 ASN 39 2HB ASN 39 -4.972 -6.438 -13.388 326 HB3 ASN 39 3HB ASN 39 -6.621 -7.070 -13.290 327 HD21 ASN 39 1HD2 ASN 39 -4.657 -4.800 -14.676 328 HD22 ASN 39 2HD2 ASN 39 -5.877 -3.747 -15.309 329 H THR 40 H THR 40 -4.692 -6.101 -9.324 330 HA THR 40 HA THR 40 -4.638 -9.037 -9.480 331 HB THR 40 HB THR 40 -2.638 -7.075 -8.243 332 HG1 THR 40 HG1 THR 40 -2.442 -8.979 -10.440 333 HG21 THR 40 3HG2 THR 40 -2.627 -10.134 -8.324 334 HG22 THR 40 1HG2 THR 40 -1.291 -9.093 -7.727 335 HG23 THR 40 2HG2 THR 40 -2.866 -9.114 -6.866 336 HA PRO 41 HA PRO 41 -7.123 -8.996 -5.764 337 HB2 PRO 41 2HB PRO 41 -5.686 -11.665 -5.392 338 HB3 PRO 41 3HB PRO 41 -7.423 -11.336 -5.331 339 HG2 PRO 41 2HG PRO 41 -6.404 -12.539 -7.479 340 HG3 PRO 41 3HG PRO 41 -7.637 -11.290 -7.693 341 HD2 PRO 41 2HD PRO 41 -4.630 -11.090 -8.099 342 HD3 PRO 41 3HD PRO 41 -5.931 -10.384 -9.067 343 H ILE 42 H ILE 42 -6.925 -8.553 -3.602 344 HA ILE 42 HA ILE 42 -4.498 -7.451 -2.831 345 HB ILE 42 HB ILE 42 -6.952 -8.349 -1.246 346 HG12 ILE 42 2HG1 ILE 42 -5.930 -5.563 -1.967 347 HG13 ILE 42 3HG1 ILE 42 -7.110 -6.455 -2.935 348 HG21 ILE 42 1HG2 ILE 42 -6.065 -7.014 0.636 349 HG22 ILE 42 2HG2 ILE 42 -4.999 -8.405 0.242 350 HG23 ILE 42 3HG2 ILE 42 -4.541 -6.748 -0.276 351 HD11 ILE 42 3HD1 ILE 42 -7.462 -5.621 -0.021 352 HD12 ILE 42 1HD1 ILE 42 -8.219 -4.845 -1.453 353 HD13 ILE 42 2HD1 ILE 42 -8.661 -6.527 -1.005 354 H LYS 43 H LYS 43 -5.872 -10.754 -2.332 355 HA LYS 43 HA LYS 43 -4.067 -11.488 -0.278 356 HB2 LYS 43 2HB LYS 43 -5.744 -13.083 -2.269 357 HB3 LYS 43 3HB LYS 43 -4.792 -13.830 -0.979 358 HG2 LYS 43 2HG LYS 43 -6.111 -12.585 0.727 359 HG3 LYS 43 3HG LYS 43 -7.053 -11.813 -0.555 360 HD2 LYS 43 2HD LYS 43 -7.850 -14.049 -1.330 361 HD3 LYS 43 3HD LYS 43 -6.886 -14.837 -0.074 362 HE2 LYS 43 2HE LYS 43 -8.179 -13.627 1.687 363 HE3 LYS 43 3HE LYS 43 -9.133 -12.816 0.438 364 HZ1 LYS 43 3HZ LYS 43 -9.040 -15.732 0.882 365 HZ2 LYS 43 1HZ LYS 43 -10.264 -14.738 1.306 366 HZ3 LYS 43 2HZ LYS 43 -9.920 -14.983 -0.271 367 H ARG 44 H ARG 44 -3.708 -11.149 -3.771 368 HA ARG 44 HA ARG 44 -1.384 -12.932 -3.723 369 HB2 ARG 44 2HB ARG 44 -2.839 -11.669 -6.060 370 HB3 ARG 44 3HB ARG 44 -1.430 -12.733 -6.167 371 HG2 ARG 44 2HG ARG 44 -4.115 -13.520 -4.953 372 HG3 ARG 44 3HG ARG 44 -3.623 -13.858 -6.617 373 HD2 ARG 44 2HD ARG 44 -1.750 -15.202 -5.809 374 HD3 ARG 44 3HD ARG 44 -2.195 -14.838 -4.137 375 HE ARG 44 HE ARG 44 -4.429 -16.006 -5.445 376 HH11 ARG 44 1HH1 ARG 44 -1.213 -16.900 -4.343 377 HH12 ARG 44 2HH1 ARG 44 -1.651 -18.549 -4.042 378 HH21 ARG 44 1HH2 ARG 44 -4.970 -18.123 -5.067 379 HH22 ARG 44 2HH2 ARG 44 -3.806 -19.252 -4.458 380 H MET 45 H MET 45 -2.377 -9.497 -4.248 381 HA MET 45 HA MET 45 0.129 -8.627 -5.210 382 HB2 MET 45 2HB MET 45 -1.941 -7.351 -5.503 383 HB3 MET 45 3HB MET 45 -2.150 -7.209 -3.753 384 HG2 MET 45 2HG MET 45 0.366 -6.127 -5.048 385 HG3 MET 45 3HG MET 45 -1.143 -5.213 -5.170 386 HE1 MET 45 3HE MET 45 -2.401 -5.347 -1.693 387 HE2 MET 45 1HE MET 45 -1.945 -3.677 -2.171 388 HE3 MET 45 2HE MET 45 -2.633 -4.803 -3.389 389 H GLN 46 H GLN 46 2.007 -7.964 -4.178 390 HA GLN 46 HA GLN 46 2.013 -8.333 -1.257 391 HB2 GLN 46 2HB GLN 46 4.343 -8.314 -3.238 392 HB3 GLN 46 3HB GLN 46 4.428 -8.700 -1.515 393 HG2 GLN 46 2HG GLN 46 2.882 -10.306 -3.601 394 HG3 GLN 46 3HG GLN 46 4.490 -10.713 -2.987 395 HE21 GLN 46 1HE2 GLN 46 1.361 -11.561 -2.729 396 HE22 GLN 46 2HE2 GLN 46 1.299 -12.109 -1.087 397 H LEU 47 H LEU 47 2.884 -6.703 0.115 398 HA LEU 47 HA LEU 47 3.264 -4.108 -1.241 399 HB2 LEU 47 2HB LEU 47 0.978 -4.136 -0.494 400 HB3 LEU 47 3HB LEU 47 1.410 -4.874 1.054 401 HG LEU 47 HG LEU 47 2.595 -2.771 1.723 402 HD11 LEU 47 1HD1 LEU 47 2.296 -0.740 0.354 403 HD12 LEU 47 2HD1 LEU 47 3.221 -2.000 -0.530 404 HD13 LEU 47 3HD1 LEU 47 1.491 -1.716 -0.921 405 HD21 LEU 47 3HD2 LEU 47 0.229 -3.147 2.319 406 HD22 LEU 47 1HD2 LEU 47 0.551 -1.408 2.007 407 HD23 LEU 47 2HD2 LEU 47 -0.286 -2.403 0.768 408 H TYR 48 H TYR 48 5.245 -3.289 -0.711 409 HA TYR 48 HA TYR 48 6.133 -3.727 2.071 410 HB2 TYR 48 2HB TYR 48 7.629 -4.878 0.549 411 HB3 TYR 48 3HB TYR 48 7.708 -3.479 -0.531 412 HD1 TYR 48 HD1 TYR 48 8.552 -4.569 2.963 413 HD2 TYR 48 HD2 TYR 48 9.401 -1.864 -0.258 414 HE1 TYR 48 HE1 TYR 48 10.535 -3.736 4.191 415 HE2 TYR 48 HE2 TYR 48 11.386 -1.029 0.962 416 HH TYR 48 HH TYR 48 12.071 -2.065 4.300 417 H TYR 49 H TYR 49 6.864 -1.907 3.244 418 HA TYR 49 HA TYR 49 6.512 0.669 1.843 419 HB2 TYR 49 2HB TYR 49 4.832 0.530 3.516 420 HB3 TYR 49 3HB TYR 49 5.913 -0.254 4.676 421 HD1 TYR 49 HD1 TYR 49 5.899 2.950 2.666 422 HD2 TYR 49 HD2 TYR 49 6.544 1.069 6.469 423 HE1 TYR 49 HE1 TYR 49 6.424 5.154 3.662 424 HE2 TYR 49 HE2 TYR 49 7.073 3.268 7.472 425 HH TYR 49 HH TYR 49 6.428 5.748 6.925 426 H SER 50 H SER 50 8.225 2.111 1.842 427 HA SER 50 HA SER 50 10.778 1.581 2.123 428 HB2 SER 50 2HB SER 50 9.850 3.800 1.565 429 HB3 SER 50 3HB SER 50 9.389 4.053 3.254 430 HG SER 50 HG SER 50 11.400 5.069 2.724 431 H GLY 51 H GLY 51 11.702 0.170 3.607 432 HA2 GLY 51 2HA GLY 51 12.862 0.033 5.625 433 HA3 GLY 51 3HA GLY 51 11.697 1.127 6.382 434 H ILE 52 H ILE 52 9.491 0.279 6.922 435 HA ILE 52 HA ILE 52 9.790 -2.502 7.730 436 HB ILE 52 HB ILE 52 7.799 -0.315 8.526 437 HG12 ILE 52 2HG1 ILE 52 10.029 -1.639 10.137 438 HG13 ILE 52 3HG1 ILE 52 10.213 -0.100 9.285 439 HG21 ILE 52 1HG2 ILE 52 7.059 -1.894 10.281 440 HG22 ILE 52 2HG2 ILE 52 6.748 -2.534 8.631 441 HG23 ILE 52 3HG2 ILE 52 8.132 -3.158 9.591 442 HD11 ILE 52 3HD1 ILE 52 8.207 -0.676 11.511 443 HD12 ILE 52 1HD1 ILE 52 9.734 0.258 11.664 444 HD13 ILE 52 2HD1 ILE 52 8.394 0.887 10.646 445 H GLU 53 H GLU 53 8.610 -4.175 6.820 446 HA GLU 53 HA GLU 53 6.907 -3.625 4.599 447 HB2 GLU 53 2HB GLU 53 8.352 -5.648 4.818 448 HB3 GLU 53 3HB GLU 53 7.395 -6.181 6.206 449 HG2 GLU 53 2HG GLU 53 5.377 -6.360 4.755 450 HG3 GLU 53 3HG GLU 53 6.322 -5.811 3.365 451 H LEU 54 H LEU 54 4.654 -3.616 4.452 452 HA LEU 54 HA LEU 54 3.303 -3.217 6.991 453 HB2 LEU 54 2HB LEU 54 2.274 -3.039 4.119 454 HB3 LEU 54 3HB LEU 54 1.450 -2.454 5.570 455 HG LEU 54 HG LEU 54 4.078 -1.358 4.436 456 HD11 LEU 54 1HD1 LEU 54 2.721 0.650 3.966 457 HD12 LEU 54 2HD1 LEU 54 2.091 -0.789 3.095 458 HD13 LEU 54 3HD1 LEU 54 1.256 -0.195 4.570 459 HD21 LEU 54 3HD2 LEU 54 4.007 -1.263 6.900 460 HD22 LEU 54 1HD2 LEU 54 3.832 0.374 6.183 461 HD23 LEU 54 2HD2 LEU 54 2.392 -0.482 6.830 462 H ALA 55 H ALA 55 3.784 -5.708 7.433 463 HA ALA 55 HA ALA 55 2.468 -7.586 5.756 464 HB1 ALA 55 3HB ALA 55 3.594 -7.809 8.592 465 HB2 ALA 55 1HB ALA 55 3.116 -9.186 7.542 466 HB3 ALA 55 2HB ALA 55 4.485 -8.126 7.065 467 H ASP 56 H ASP 56 1.521 -5.795 8.733 468 HA ASP 56 HA ASP 56 -0.605 -7.695 9.269 469 HB2 ASP 56 2HB ASP 56 0.775 -6.685 11.085 470 HB3 ASP 56 3HB ASP 56 0.208 -5.075 10.622 471 H ASP 57 H ASP 57 -2.552 -7.559 8.228 472 HA ASP 57 HA ASP 57 -3.157 -5.366 6.566 473 HB2 ASP 57 2HB ASP 57 -4.782 -7.724 7.619 474 HB3 ASP 57 3HB ASP 57 -5.439 -6.538 6.483 475 H TYR 58 H TYR 58 -3.914 -6.085 9.997 476 HA TYR 58 HA TYR 58 -6.193 -4.247 9.873 477 HB2 TYR 58 2HB TYR 58 -5.255 -6.260 11.975 478 HB3 TYR 58 3HB TYR 58 -6.669 -5.213 12.153 479 HD1 TYR 58 HD1 TYR 58 -8.626 -5.493 10.573 480 HD2 TYR 58 HD2 TYR 58 -5.359 -8.273 10.680 481 HE1 TYR 58 HE1 TYR 58 -10.022 -7.171 9.407 482 HE2 TYR 58 HE2 TYR 58 -6.748 -9.958 9.511 483 HH TYR 58 HH TYR 58 -10.144 -9.210 8.568 484 H ARG 59 H ARG 59 -2.842 -4.198 10.645 485 HA ARG 59 HA ARG 59 -3.015 -2.328 12.798 486 HB2 ARG 59 2HB ARG 59 -1.068 -3.780 12.434 487 HB3 ARG 59 3HB ARG 59 -0.727 -2.946 10.912 488 HG2 ARG 59 2HG ARG 59 -0.321 -0.844 12.097 489 HG3 ARG 59 3HG ARG 59 -0.805 -1.573 13.633 490 HD2 ARG 59 2HD ARG 59 1.082 -3.099 13.542 491 HD3 ARG 59 3HD ARG 59 1.546 -2.469 11.957 492 HE ARG 59 HE ARG 59 2.336 -0.496 12.975 493 HH11 ARG 59 1HH1 ARG 59 0.951 -2.664 15.368 494 HH12 ARG 59 2HH1 ARG 59 1.726 -1.875 16.700 495 HH21 ARG 59 1HH2 ARG 59 3.312 0.513 14.691 496 HH22 ARG 59 2HH2 ARG 59 3.083 -0.049 16.313 497 H ASN 60 H ASN 60 -2.781 -0.038 12.750 498 HA ASN 60 HA ASN 60 -4.027 1.095 10.443 499 HB2 ASN 60 2HB ASN 60 -2.964 2.254 13.042 500 HB3 ASN 60 3HB ASN 60 -3.694 3.244 11.771 501 HD21 ASN 60 1HD2 ASN 60 -4.654 3.041 14.380 502 HD22 ASN 60 2HD2 ASN 60 -6.257 2.391 14.295 503 H LEU 61 H LEU 61 -3.172 2.787 9.053 504 HA LEU 61 HA LEU 61 -0.535 2.370 8.210 505 HB2 LEU 61 2HB LEU 61 -2.483 4.689 7.791 506 HB3 LEU 61 3HB LEU 61 -0.949 4.517 6.927 507 HG LEU 61 HG LEU 61 -3.236 2.479 6.820 508 HD11 LEU 61 1HD1 LEU 61 -3.619 3.362 4.548 509 HD12 LEU 61 2HD1 LEU 61 -3.870 4.627 5.798 510 HD13 LEU 61 3HD1 LEU 61 -2.362 4.616 4.821 511 HD21 LEU 61 3HD2 LEU 61 -0.991 1.518 6.452 512 HD22 LEU 61 1HD2 LEU 61 -1.938 1.556 4.926 513 HD23 LEU 61 2HD2 LEU 61 -0.650 2.775 5.215 514 H ASN 62 H ASN 62 -1.977 4.932 10.364 515 HA ASN 62 HA ASN 62 0.367 6.418 10.654 516 HB2 ASN 62 2HB ASN 62 -1.998 7.028 11.348 517 HB3 ASN 62 3HB ASN 62 -1.782 5.981 12.757 518 HD21 ASN 62 1HD2 ASN 62 -0.987 6.842 14.518 519 HD22 ASN 62 2HD2 ASN 62 -0.060 8.301 14.627 520 H GLU 63 H GLU 63 -0.779 3.405 12.293 521 HA GLU 63 HA GLU 63 1.100 3.534 14.407 522 HB2 GLU 63 2HB GLU 63 -0.560 1.313 13.145 523 HB3 GLU 63 3HB GLU 63 0.552 1.004 14.486 524 HG2 GLU 63 2HG GLU 63 -0.690 2.476 15.965 525 HG3 GLU 63 3HG GLU 63 -1.679 3.085 14.631 526 H TYR 64 H TYR 64 1.269 2.378 11.019 527 HA TYR 64 HA TYR 64 3.697 0.899 11.496 528 HB2 TYR 64 2HB TYR 64 1.781 1.394 9.286 529 HB3 TYR 64 3HB TYR 64 3.466 1.342 8.753 530 HD1 TYR 64 HD1 TYR 64 4.847 -0.693 10.009 531 HD2 TYR 64 HD2 TYR 64 0.640 -0.621 9.169 532 HE1 TYR 64 HE1 TYR 64 4.795 -3.167 10.074 533 HE2 TYR 64 HE2 TYR 64 0.579 -3.094 9.231 534 HH TYR 64 HH TYR 64 3.571 -4.994 9.881 535 H GLY 65 H GLY 65 2.842 4.262 10.938 536 HA2 GLY 65 2HA GLY 65 4.439 5.962 11.049 537 HA3 GLY 65 3HA GLY 65 5.681 4.848 10.462 538 H ILE 66 H ILE 66 2.465 4.956 8.880 539 HA ILE 66 HA ILE 66 3.741 5.745 6.436 540 HB ILE 66 HB ILE 66 0.798 5.267 7.136 541 HG12 ILE 66 2HG1 ILE 66 2.258 3.285 7.450 542 HG13 ILE 66 3HG1 ILE 66 1.089 3.073 6.141 543 HG21 ILE 66 1HG2 ILE 66 0.476 5.063 4.692 544 HG22 ILE 66 2HG2 ILE 66 1.051 6.700 5.156 545 HG23 ILE 66 3HG2 ILE 66 2.194 5.519 4.432 546 HD11 ILE 66 3HD1 ILE 66 4.035 3.792 5.799 547 HD12 ILE 66 1HD1 ILE 66 3.288 2.184 5.514 548 HD13 ILE 66 2HD1 ILE 66 2.847 3.577 4.470 549 H THR 67 H THR 67 4.055 7.854 5.792 550 HA THR 67 HA THR 67 2.498 9.872 7.245 551 HB THR 67 HB THR 67 4.359 11.396 6.851 552 HG1 THR 67 HG1 THR 67 6.269 10.597 5.714 553 HG21 THR 67 3HG2 THR 67 5.375 8.656 7.753 554 HG22 THR 67 1HG2 THR 67 6.169 10.233 8.082 555 HG23 THR 67 2HG2 THR 67 4.556 9.875 8.786 556 H GLU 68 H GLU 68 2.720 12.125 5.748 557 HA GLU 68 HA GLU 68 1.035 11.642 3.530 558 HB2 GLU 68 2HB GLU 68 2.645 14.058 4.473 559 HB3 GLU 68 3HB GLU 68 1.580 14.103 3.062 560 HG2 GLU 68 2HG GLU 68 -0.374 13.567 4.464 561 HG3 GLU 68 3HG GLU 68 0.660 13.368 5.885 562 H PHE 69 H PHE 69 4.487 11.357 3.916 563 HA PHE 69 HA PHE 69 4.847 11.706 1.009 564 HB2 PHE 69 2HB PHE 69 6.881 11.772 3.292 565 HB3 PHE 69 3HB PHE 69 7.259 11.955 1.574 566 HD1 PHE 69 HD1 PHE 69 6.312 13.950 0.313 567 HD2 PHE 69 HD2 PHE 69 6.135 13.612 4.592 568 HE1 PHE 69 HE1 PHE 69 5.928 16.389 0.490 569 HE2 PHE 69 HE2 PHE 69 5.752 16.052 4.768 570 HZ PHE 69 HZ PHE 69 5.645 17.444 2.719 571 H SER 70 H SER 70 3.808 9.272 2.710 572 HA SER 70 HA SER 70 5.821 7.377 2.978 573 HB2 SER 70 2HB SER 70 3.614 7.130 3.969 574 HB3 SER 70 3HB SER 70 2.841 7.133 2.379 575 HG SER 70 HG SER 70 4.689 5.161 3.394 576 H GLU 71 H GLU 71 6.925 6.024 1.594 577 HA GLU 71 HA GLU 71 5.880 5.860 -1.163 578 HB2 GLU 71 2HB GLU 71 8.757 5.934 -0.137 579 HB3 GLU 71 3HB GLU 71 8.315 5.457 -1.782 580 HG2 GLU 71 2HG GLU 71 7.267 7.713 -2.130 581 HG3 GLU 71 3HG GLU 71 7.776 8.183 -0.503 582 H ILE 72 H ILE 72 5.177 3.830 -1.680 583 HA ILE 72 HA ILE 72 6.353 1.626 -0.131 584 HB ILE 72 HB ILE 72 4.144 0.474 -0.418 585 HG12 ILE 72 2HG1 ILE 72 3.181 3.195 -1.419 586 HG13 ILE 72 3HG1 ILE 72 3.478 1.797 -2.460 587 HG21 ILE 72 1HG2 ILE 72 2.913 1.818 1.251 588 HG22 ILE 72 2HG2 ILE 72 4.658 1.682 1.657 589 HG23 ILE 72 3HG2 ILE 72 4.017 3.202 0.946 590 HD11 ILE 72 3HD1 ILE 72 1.452 1.923 -0.181 591 HD12 ILE 72 1HD1 ILE 72 1.091 2.020 -1.938 592 HD13 ILE 72 2HD1 ILE 72 1.753 0.504 -1.239 593 H VAL 73 H VAL 73 6.894 -0.304 -1.274 594 HA VAL 73 HA VAL 73 6.675 -0.055 -4.188 595 HB VAL 73 HB VAL 73 8.556 -1.734 -2.452 596 HG11 VAL 73 1HG1 VAL 73 9.681 -2.297 -4.585 597 HG12 VAL 73 2HG1 VAL 73 7.986 -2.888 -4.547 598 HG13 VAL 73 3HG1 VAL 73 8.402 -1.415 -5.487 599 HG21 VAL 73 3HG2 VAL 73 9.093 0.664 -2.423 600 HG22 VAL 73 1HG2 VAL 73 10.318 -0.254 -3.363 601 HG23 VAL 73 2HG2 VAL 73 9.064 0.705 -4.219 602 H VAL 74 H VAL 74 5.461 -1.576 -5.347 603 HA VAL 74 HA VAL 74 4.210 -3.634 -3.662 604 HB VAL 74 HB VAL 74 2.869 -1.885 -5.788 605 HG11 VAL 74 1HG1 VAL 74 0.779 -2.949 -4.994 606 HG12 VAL 74 2HG1 VAL 74 1.926 -4.153 -5.671 607 HG13 VAL 74 3HG1 VAL 74 1.736 -3.996 -3.892 608 HG21 VAL 74 3HG2 VAL 74 3.382 -0.612 -3.749 609 HG22 VAL 74 1HG2 VAL 74 1.616 -0.911 -3.888 610 HG23 VAL 74 2HG2 VAL 74 2.605 -1.882 -2.745 611 H PHE 75 H PHE 75 3.955 -5.681 -4.607 612 HA PHE 75 HA PHE 75 4.868 -5.888 -7.408 613 HB2 PHE 75 2HB PHE 75 5.202 -7.849 -5.087 614 HB3 PHE 75 3HB PHE 75 5.678 -8.159 -6.761 615 HD1 PHE 75 HD1 PHE 75 7.570 -6.920 -7.783 616 HD2 PHE 75 HD2 PHE 75 6.522 -6.421 -3.646 617 HE1 PHE 75 HE1 PHE 75 9.779 -5.896 -7.346 618 HE2 PHE 75 HE2 PHE 75 8.730 -5.389 -3.213 619 HZ PHE 75 HZ PHE 75 10.362 -5.125 -5.062 620 H LEU 76 H LEU 76 3.696 -7.262 -8.819 621 HA LEU 76 HA LEU 76 1.033 -7.960 -7.784 622 HB2 LEU 76 2HB LEU 76 2.083 -7.642 -10.638 623 HB3 LEU 76 3HB LEU 76 0.410 -7.996 -10.186 624 HG LEU 76 HG LEU 76 1.916 -5.430 -9.447 625 HD11 LEU 76 1HD1 LEU 76 0.446 -4.366 -11.120 626 HD12 LEU 76 2HD1 LEU 76 1.500 -5.614 -11.867 627 HD13 LEU 76 3HD1 LEU 76 -0.231 -5.973 -11.550 628 HD21 LEU 76 3HD2 LEU 76 0.183 -6.078 -7.814 629 HD22 LEU 76 1HD2 LEU 76 -0.325 -4.640 -8.763 630 HD23 LEU 76 2HD2 LEU 76 -1.011 -6.256 -9.143 631 H LYS 77 H LYS 77 0.268 -10.069 -7.780 632 HA LYS 77 HA LYS 77 1.993 -12.071 -9.088 633 HB2 LYS 77 2HB LYS 77 0.544 -12.270 -6.403 634 HB3 LYS 77 3HB LYS 77 1.353 -13.613 -7.221 635 HG2 LYS 77 2HG LYS 77 2.722 -11.059 -6.241 636 HG3 LYS 77 3HG LYS 77 2.737 -12.617 -5.405 637 HD2 LYS 77 2HD LYS 77 3.850 -13.670 -7.385 638 HD3 LYS 77 3HD LYS 77 3.835 -12.113 -8.223 639 HE2 LYS 77 2HE LYS 77 5.206 -11.123 -6.351 640 HE3 LYS 77 3HE LYS 77 5.264 -12.713 -5.579 641 HZ1 LYS 77 3HZ LYS 77 6.325 -12.085 -8.259 642 HZ2 LYS 77 1HZ LYS 77 7.212 -12.303 -6.907 643 HZ3 LYS 77 2HZ LYS 77 6.379 -13.553 -7.546 644 H SER 78 H SER 78 0.188 -11.305 -10.808 645 HA SER 78 HA SER 78 -1.481 -13.642 -10.922 646 HB2 SER 78 2HB SER 78 -3.590 -12.516 -11.154 647 HB3 SER 78 3HB SER 78 -2.880 -12.019 -9.613 648 HG SER 78 HG SER 78 -3.825 -10.328 -11.109 649 H ILE 79 H ILE 79 -2.497 -13.870 -13.119 650 HA ILE 79 HA ILE 79 -0.914 -12.355 -15.072 651 HB ILE 79 HB ILE 79 -2.261 -15.098 -15.253 652 HG12 ILE 79 2HG1 ILE 79 0.686 -14.299 -15.363 653 HG13 ILE 79 3HG1 ILE 79 -0.127 -14.926 -13.922 654 HG21 ILE 79 1HG2 ILE 79 -1.231 -15.244 -17.495 655 HG22 ILE 79 2HG2 ILE 79 -2.424 -13.905 -17.393 656 HG23 ILE 79 3HG2 ILE 79 -0.665 -13.547 -17.342 657 HD11 ILE 79 3HD1 ILE 79 0.183 -16.400 -16.577 658 HD12 ILE 79 1HD1 ILE 79 1.121 -16.698 -15.075 659 HD13 ILE 79 2HD1 ILE 79 -0.642 -17.036 -15.115 660 H ASN 80 H ASN 80 -4.218 -13.878 -14.593 661 HA ASN 80 HA ASN 80 -5.284 -12.506 -16.839 662 HB2 ASN 80 2HB ASN 80 -6.523 -14.042 -14.532 663 HB3 ASN 80 3HB ASN 80 -7.487 -13.286 -15.807 664 HD21 ASN 80 1HD2 ASN 80 -7.490 -16.005 -15.247 665 HD22 ASN 80 2HD2 ASN 80 -6.915 -16.832 -16.657 666 H ARG 81 H ARG 81 -6.909 -10.789 -16.846 667 HA ARG 81 HA ARG 81 -6.487 -8.971 -14.587 668 HB2 ARG 81 2HB ARG 81 -7.472 -8.442 -17.400 669 HB3 ARG 81 3HB ARG 81 -7.349 -7.233 -16.116 670 HG2 ARG 81 2HG ARG 81 -4.893 -7.656 -15.977 671 HG3 ARG 81 3HG ARG 81 -5.032 -8.828 -17.294 672 HD2 ARG 81 2HD ARG 81 -5.932 -7.010 -18.742 673 HD3 ARG 81 3HD ARG 81 -5.629 -5.867 -17.427 674 HE ARG 81 HE ARG 81 -3.205 -7.181 -17.899 675 HH11 ARG 81 1HH1 ARG 81 -5.407 -5.158 -19.747 676 HH12 ARG 81 2HH1 ARG 81 -4.144 -4.464 -20.708 677 HH21 ARG 81 1HH2 ARG 81 -1.600 -6.295 -19.149 678 HH22 ARG 81 2HH2 ARG 81 -1.958 -5.116 -20.366 679 H ALA 82 H ALA 82 -8.363 -7.673 -13.789 680 HA ALA 82 HA ALA 82 -10.993 -8.664 -14.483 681 HB1 ALA 82 3HB ALA 82 -9.841 -8.953 -11.664 682 HB2 ALA 82 1HB ALA 82 -11.559 -9.203 -12.124 683 HB3 ALA 82 2HB ALA 82 -10.287 -10.292 -12.774 684 H LYS 83 H LYS 83 -12.702 -7.225 -13.781 685 HA LYS 83 HA LYS 83 -11.918 -4.524 -13.650 686 HB2 LYS 83 2HB LYS 83 -14.059 -5.316 -14.596 687 HB3 LYS 83 3HB LYS 83 -14.566 -5.907 -13.008 688 HG2 LYS 83 2HG LYS 83 -14.556 -3.585 -12.122 689 HG3 LYS 83 3HG LYS 83 -14.002 -2.978 -13.688 690 HD2 LYS 83 2HD LYS 83 -16.073 -3.870 -14.772 691 HD3 LYS 83 3HD LYS 83 -16.626 -4.493 -13.212 692 HE2 LYS 83 2HE LYS 83 -16.599 -2.161 -12.284 693 HE3 LYS 83 3HE LYS 83 -16.074 -1.548 -13.857 694 HZ1 LYS 83 3HZ LYS 83 -18.609 -2.969 -13.345 695 HZ2 LYS 83 1HZ LYS 83 -18.445 -1.362 -13.582 696 HZ3 LYS 83 2HZ LYS 83 -18.125 -2.403 -14.798 697 H ASP 84 H ASP 84 -13.679 -6.495 -11.100 698 HA ASP 84 HA ASP 84 -12.766 -4.675 -9.061 699 HB2 ASP 84 2HB ASP 84 -14.990 -5.814 -9.006 700 HB3 ASP 84 3HB ASP 84 -14.179 -7.383 -8.906 Start of MODEL 7 1 H ALA 1 1H ALA 1 -11.231 21.240 2.318 2 HA ALA 1 HA ALA 1 -9.116 21.033 3.356 3 HB1 ALA 1 3HB ALA 1 -11.519 20.506 5.173 4 HB2 ALA 1 1HB ALA 1 -9.930 21.160 5.698 5 HB3 ALA 1 2HB ALA 1 -10.965 22.107 4.577 6 H ALA 2 H ALA 2 -7.483 19.659 3.956 7 HA ALA 2 HA ALA 2 -8.201 16.845 4.306 8 HB1 ALA 2 3HB ALA 2 -5.520 18.272 3.944 9 HB2 ALA 2 1HB ALA 2 -5.757 16.494 4.043 10 HB3 ALA 2 2HB ALA 2 -6.452 17.417 2.668 11 H VAL 3 H VAL 3 -8.654 16.194 6.371 12 HA VAL 3 HA VAL 3 -6.871 17.251 8.455 13 HB VAL 3 HB VAL 3 -9.848 16.570 8.680 14 HG11 VAL 3 1HG1 VAL 3 -9.634 17.363 11.014 15 HG12 VAL 3 2HG1 VAL 3 -8.609 15.922 10.700 16 HG13 VAL 3 3HG1 VAL 3 -7.863 17.554 10.782 17 HG21 VAL 3 3HG2 VAL 3 -9.434 18.723 7.566 18 HG22 VAL 3 1HG2 VAL 3 -10.108 18.975 9.211 19 HG23 VAL 3 2HG2 VAL 3 -8.355 19.226 8.911 20 H ARG 4 H ARG 4 -5.527 15.574 9.069 21 HA ARG 4 HA ARG 4 -4.799 13.558 9.581 22 HB2 ARG 4 2HB ARG 4 -7.706 12.860 10.073 23 HB3 ARG 4 3HB ARG 4 -6.310 11.876 10.531 24 HG2 ARG 4 2HG ARG 4 -5.512 13.652 12.036 25 HG3 ARG 4 3HG ARG 4 -6.841 14.705 11.535 26 HD2 ARG 4 2HD ARG 4 -8.438 12.984 12.397 27 HD3 ARG 4 3HD ARG 4 -7.052 12.082 13.023 28 HE ARG 4 HE ARG 4 -6.894 14.719 14.024 29 HH11 ARG 4 1HH1 ARG 4 -9.008 11.927 14.308 30 HH12 ARG 4 2HH1 ARG 4 -9.476 12.305 15.933 31 HH21 ARG 4 1HH2 ARG 4 -7.511 15.197 16.100 32 HH22 ARG 4 2HH2 ARG 4 -8.618 14.181 16.962 33 H LYS 5 H LYS 5 -5.747 14.305 6.742 34 HA LYS 5 HA LYS 5 -6.009 11.552 5.733 35 HB2 LYS 5 2HB LYS 5 -6.412 14.275 4.407 36 HB3 LYS 5 3HB LYS 5 -6.509 12.725 3.561 37 HG2 LYS 5 2HG LYS 5 -8.418 12.043 5.003 38 HG3 LYS 5 3HG LYS 5 -8.312 13.573 5.884 39 HD2 LYS 5 2HD LYS 5 -8.726 14.818 3.737 40 HD3 LYS 5 3HD LYS 5 -8.878 13.275 2.886 41 HE2 LYS 5 2HE LYS 5 -10.785 12.643 4.389 42 HE3 LYS 5 3HE LYS 5 -10.641 14.201 5.215 43 HZ1 LYS 5 3HZ LYS 5 -11.258 13.845 2.352 44 HZ2 LYS 5 1HZ LYS 5 -12.327 14.253 3.517 45 HZ3 LYS 5 2HZ LYS 5 -11.125 15.283 3.114 46 H ILE 6 H ILE 6 -4.473 10.700 4.245 47 HA ILE 6 HA ILE 6 -2.122 12.379 3.789 48 HB ILE 6 HB ILE 6 -0.664 10.396 4.319 49 HG12 ILE 6 2HG1 ILE 6 -3.219 9.253 5.544 50 HG13 ILE 6 3HG1 ILE 6 -2.481 8.686 4.041 51 HG21 ILE 6 1HG2 ILE 6 -0.808 10.628 6.778 52 HG22 ILE 6 2HG2 ILE 6 -0.963 12.212 5.947 53 HG23 ILE 6 3HG2 ILE 6 -2.421 11.398 6.607 54 HD11 ILE 6 3HD1 ILE 6 -1.176 8.629 6.798 55 HD12 ILE 6 1HD1 ILE 6 -1.884 7.230 5.923 56 HD13 ILE 6 2HD1 ILE 6 -0.427 8.053 5.271 57 H HIS 7 H HIS 7 -0.836 11.715 1.900 58 HA HIS 7 HA HIS 7 -2.278 9.843 0.146 59 HB2 HIS 7 2HB HIS 7 -0.169 11.978 -0.445 60 HB3 HIS 7 3HB HIS 7 -0.857 10.880 -1.649 61 HD2 HIS 7 HD2 HIS 7 -1.709 14.224 0.123 62 HE1 HIS 7 HE1 HIS 7 -5.106 13.108 -2.232 63 H VAL 8 H VAL 8 -1.164 8.079 -0.850 64 HA VAL 8 HA VAL 8 1.544 7.631 0.206 65 HB VAL 8 HB VAL 8 -0.660 5.572 -0.329 66 HG11 VAL 8 1HG1 VAL 8 0.963 3.924 0.555 67 HG12 VAL 8 2HG1 VAL 8 1.562 4.713 -0.943 68 HG13 VAL 8 3HG1 VAL 8 2.210 5.213 0.655 69 HG21 VAL 8 3HG2 VAL 8 -1.007 6.836 1.747 70 HG22 VAL 8 1HG2 VAL 8 -0.517 5.145 2.102 71 HG23 VAL 8 2HG2 VAL 8 0.676 6.478 2.262 72 H THR 9 H THR 9 3.123 7.153 -1.327 73 HA THR 9 HA THR 9 2.257 7.220 -4.086 74 HB THR 9 HB THR 9 5.034 7.150 -2.793 75 HG1 THR 9 HG1 THR 9 5.020 9.405 -3.505 76 HG21 THR 9 3HG2 THR 9 4.204 7.607 -5.701 77 HG22 THR 9 1HG2 THR 9 5.866 7.771 -5.042 78 HG23 THR 9 2HG2 THR 9 5.061 6.166 -5.056 79 H VAL 10 H VAL 10 1.935 5.381 -5.306 80 HA VAL 10 HA VAL 10 2.897 2.880 -4.142 81 HB VAL 10 HB VAL 10 0.857 3.380 -6.369 82 HG11 VAL 10 1HG1 VAL 10 0.232 1.016 -5.989 83 HG12 VAL 10 2HG1 VAL 10 1.939 1.179 -6.522 84 HG13 VAL 10 3HG1 VAL 10 1.564 0.861 -4.795 85 HG21 VAL 10 3HG2 VAL 10 0.080 4.274 -4.215 86 HG22 VAL 10 1HG2 VAL 10 -0.837 2.795 -4.661 87 HG23 VAL 10 2HG2 VAL 10 0.454 2.709 -3.416 88 H LYS 11 H LYS 11 4.769 2.014 -4.990 89 HA LYS 11 HA LYS 11 5.526 2.912 -7.689 90 HB2 LYS 11 2HB LYS 11 7.165 1.895 -5.320 91 HB3 LYS 11 3HB LYS 11 7.834 2.215 -6.926 92 HG2 LYS 11 2HG LYS 11 7.101 4.615 -6.722 93 HG3 LYS 11 3HG LYS 11 6.515 4.276 -5.088 94 HD2 LYS 11 2HD LYS 11 8.792 3.628 -4.363 95 HD3 LYS 11 3HD LYS 11 9.405 3.831 -6.009 96 HE2 LYS 11 2HE LYS 11 8.719 6.261 -5.927 97 HE3 LYS 11 3HE LYS 11 8.208 6.034 -4.249 98 HZ1 LYS 11 3HZ LYS 11 10.752 6.576 -5.176 99 HZ2 LYS 11 1HZ LYS 11 10.292 6.311 -3.632 100 HZ3 LYS 11 2HZ LYS 11 10.817 5.068 -4.552 101 H PHE 12 H PHE 12 4.998 1.381 -9.248 102 HA PHE 12 HA PHE 12 5.836 -1.374 -8.633 103 HB2 PHE 12 2HB PHE 12 4.155 -0.157 -10.876 104 HB3 PHE 12 3HB PHE 12 4.719 -1.833 -10.880 105 HD1 PHE 12 HD1 PHE 12 3.821 -3.471 -9.282 106 HD2 PHE 12 HD2 PHE 12 2.401 0.582 -9.357 107 HE1 PHE 12 HE1 PHE 12 1.848 -4.136 -7.942 108 HE2 PHE 12 HE2 PHE 12 0.430 -0.084 -8.014 109 HZ PHE 12 HZ PHE 12 0.152 -2.442 -7.302 110 HA PRO 13 HA PRO 13 9.478 -1.022 -11.131 111 HB2 PRO 13 2HB PRO 13 9.388 -3.462 -12.501 112 HB3 PRO 13 3HB PRO 13 9.863 -3.361 -10.800 113 HG2 PRO 13 2HG PRO 13 7.150 -4.042 -11.986 114 HG3 PRO 13 3HG PRO 13 8.020 -4.846 -10.673 115 HD2 PRO 13 2HD PRO 13 6.027 -3.107 -10.105 116 HD3 PRO 13 3HD PRO 13 7.475 -3.146 -9.090 117 H SER 14 H SER 14 6.328 -1.509 -12.668 118 HA SER 14 HA SER 14 7.567 -0.753 -15.237 119 HB2 SER 14 2HB SER 14 5.555 -1.719 -16.250 120 HB3 SER 14 3HB SER 14 6.372 -2.906 -15.225 121 HG SER 14 HG SER 14 4.081 -2.884 -14.902 122 H LYS 15 H LYS 15 5.581 0.401 -12.598 123 HA LYS 15 HA LYS 15 4.900 2.788 -14.064 124 HB2 LYS 15 2HB LYS 15 2.486 2.557 -13.822 125 HB3 LYS 15 3HB LYS 15 3.120 1.235 -14.811 126 HG2 LYS 15 2HG LYS 15 3.069 -0.248 -12.752 127 HG3 LYS 15 3HG LYS 15 2.287 1.073 -11.874 128 HD2 LYS 15 2HD LYS 15 1.189 -0.136 -14.466 129 HD3 LYS 15 3HD LYS 15 0.693 -0.656 -12.850 130 HE2 LYS 15 2HE LYS 15 0.157 1.867 -12.411 131 HE3 LYS 15 3HE LYS 15 0.286 2.066 -14.164 132 HZ1 LYS 15 3HZ LYS 15 -1.583 0.284 -12.742 133 HZ2 LYS 15 1HZ LYS 15 -1.958 1.631 -13.585 134 HZ3 LYS 15 2HZ LYS 15 -1.407 0.307 -14.365 135 H GLN 16 H GLN 16 3.899 4.444 -12.609 136 HA GLN 16 HA GLN 16 3.836 3.657 -9.786 137 HB2 GLN 16 2HB GLN 16 5.280 6.090 -10.951 138 HB3 GLN 16 3HB GLN 16 4.932 5.864 -9.232 139 HG2 GLN 16 2HG GLN 16 6.295 3.755 -9.261 140 HG3 GLN 16 3HG GLN 16 6.685 4.054 -10.960 141 HE21 GLN 16 1HE2 GLN 16 8.858 3.852 -9.603 142 HE22 GLN 16 2HE2 GLN 16 9.574 5.367 -9.165 143 H PHE 17 H PHE 17 2.317 4.883 -8.509 144 HA PHE 17 HA PHE 17 1.091 7.223 -9.612 145 HB2 PHE 17 2HB PHE 17 -1.205 6.328 -9.669 146 HB3 PHE 17 3HB PHE 17 -0.175 5.539 -10.870 147 HD1 PHE 17 HD1 PHE 17 -1.939 5.110 -7.643 148 HD2 PHE 17 HD2 PHE 17 0.391 3.189 -10.699 149 HE1 PHE 17 HE1 PHE 17 -2.558 2.897 -6.726 150 HE2 PHE 17 HE2 PHE 17 -0.230 0.976 -9.782 151 HZ PHE 17 HZ PHE 17 -1.708 0.826 -7.792 152 H THR 18 H THR 18 -0.687 8.043 -8.042 153 HA THR 18 HA THR 18 0.225 7.320 -5.345 154 HB THR 18 HB THR 18 -0.440 9.638 -4.709 155 HG1 THR 18 HG1 THR 18 -0.921 11.129 -6.481 156 HG21 THR 18 3HG2 THR 18 1.459 9.496 -7.101 157 HG22 THR 18 1HG2 THR 18 1.383 10.824 -5.895 158 HG23 THR 18 2HG2 THR 18 1.887 9.177 -5.386 159 H VAL 19 H VAL 19 -1.376 7.233 -3.612 160 HA VAL 19 HA VAL 19 -4.153 7.294 -4.564 161 HB VAL 19 HB VAL 19 -4.644 5.396 -3.016 162 HG11 VAL 19 1HG1 VAL 19 -3.630 3.613 -4.402 163 HG12 VAL 19 2HG1 VAL 19 -4.254 4.965 -5.405 164 HG13 VAL 19 3HG1 VAL 19 -2.491 4.811 -5.102 165 HG21 VAL 19 3HG2 VAL 19 -2.772 5.704 -1.455 166 HG22 VAL 19 1HG2 VAL 19 -2.776 4.038 -2.127 167 HG23 VAL 19 2HG2 VAL 19 -1.606 5.253 -2.744 168 H GLU 20 H GLU 20 -5.762 7.671 -2.752 169 HA GLU 20 HA GLU 20 -4.496 9.339 -0.671 170 HB2 GLU 20 2HB GLU 20 -5.876 10.592 -2.296 171 HB3 GLU 20 3HB GLU 20 -7.245 9.512 -1.999 172 HG2 GLU 20 2HG GLU 20 -7.332 10.280 0.377 173 HG3 GLU 20 3HG GLU 20 -5.969 11.366 0.073 174 H VAL 21 H VAL 21 -4.716 8.668 1.429 175 HA VAL 21 HA VAL 21 -7.027 6.984 2.049 176 HB VAL 21 HB VAL 21 -5.558 5.541 3.472 177 HG11 VAL 21 1HG1 VAL 21 -4.557 4.242 1.617 178 HG12 VAL 21 2HG1 VAL 21 -6.217 4.802 1.222 179 HG13 VAL 21 3HG1 VAL 21 -4.794 5.641 0.516 180 HG21 VAL 21 3HG2 VAL 21 -3.704 7.117 3.804 181 HG22 VAL 21 1HG2 VAL 21 -3.112 5.573 3.104 182 HG23 VAL 21 2HG2 VAL 21 -3.293 7.023 2.059 183 H ASP 22 H ASP 22 -7.169 6.720 4.597 184 HA ASP 22 HA ASP 22 -6.677 9.365 5.743 185 HB2 ASP 22 2HB ASP 22 -8.944 8.136 5.792 186 HB3 ASP 22 3HB ASP 22 -8.202 7.010 6.936 187 H ARG 23 H ARG 23 -5.562 9.661 7.766 188 HA ARG 23 HA ARG 23 -3.282 8.020 7.983 189 HB2 ARG 23 2HB ARG 23 -3.263 10.399 8.495 190 HB3 ARG 23 3HB ARG 23 -4.363 10.141 9.856 191 HG2 ARG 23 2HG ARG 23 -2.681 8.785 11.016 192 HG3 ARG 23 3HG ARG 23 -1.590 8.894 9.628 193 HD2 ARG 23 2HD ARG 23 -1.353 11.274 9.931 194 HD3 ARG 23 3HD ARG 23 -2.571 11.274 11.213 195 HE ARG 23 HE ARG 23 -0.451 9.501 11.914 196 HH11 ARG 23 1HH1 ARG 23 -1.086 12.938 11.559 197 HH12 ARG 23 2HH1 ARG 23 0.067 13.393 12.769 198 HH21 ARG 23 1HH2 ARG 23 1.029 10.095 13.452 199 HH22 ARG 23 2HH2 ARG 23 1.284 11.760 13.858 200 H THR 24 H THR 24 -6.481 7.962 9.593 201 HA THR 24 HA THR 24 -5.404 6.380 11.768 202 HB THR 24 HB THR 24 -7.685 6.542 12.703 203 HG1 THR 24 HG1 THR 24 -8.287 7.984 10.243 204 HG21 THR 24 3HG2 THR 24 -6.687 9.200 11.567 205 HG22 THR 24 1HG2 THR 24 -7.814 9.004 12.951 206 HG23 THR 24 2HG2 THR 24 -6.122 8.415 13.080 207 H GLU 25 H GLU 25 -6.548 5.783 8.592 208 HA GLU 25 HA GLU 25 -8.010 3.378 9.187 209 HB2 GLU 25 2HB GLU 25 -6.937 4.711 6.668 210 HB3 GLU 25 3HB GLU 25 -7.657 3.096 6.626 211 HG2 GLU 25 2HG GLU 25 -9.083 5.589 7.678 212 HG3 GLU 25 3HG GLU 25 -9.243 4.964 6.032 213 H THR 26 H THR 26 -7.323 1.189 8.482 214 HA THR 26 HA THR 26 -4.535 0.782 9.101 215 HB THR 26 HB THR 26 -5.150 -1.643 8.938 216 HG1 THR 26 HG1 THR 26 -7.528 -2.040 8.732 217 HG21 THR 26 3HG2 THR 26 -7.072 0.061 10.598 218 HG22 THR 26 1HG2 THR 26 -6.696 -1.672 10.876 219 HG23 THR 26 2HG2 THR 26 -5.412 -0.432 11.073 220 H VAL 27 H VAL 27 -3.382 -1.041 7.670 221 HA VAL 27 HA VAL 27 -2.977 0.169 5.179 222 HB VAL 27 HB VAL 27 -1.541 -1.842 4.727 223 HG11 VAL 27 1HG1 VAL 27 0.055 -1.444 6.577 224 HG12 VAL 27 2HG1 VAL 27 -0.644 0.089 5.954 225 HG13 VAL 27 3HG1 VAL 27 -1.235 -0.605 7.502 226 HG21 VAL 27 3HG2 VAL 27 -2.924 -3.536 5.852 227 HG22 VAL 27 1HG2 VAL 27 -1.257 -3.528 6.519 228 HG23 VAL 27 2HG2 VAL 27 -2.596 -2.766 7.441 229 H SER 28 H SER 28 -5.330 -2.216 6.256 230 HA SER 28 HA SER 28 -5.669 -3.648 3.863 231 HB2 SER 28 2HB SER 28 -7.799 -4.293 4.825 232 HB3 SER 28 3HB SER 28 -6.565 -4.293 6.093 233 HG SER 28 HG SER 28 -7.348 -2.318 6.870 234 H SER 29 H SER 29 -6.808 -0.401 4.910 235 HA SER 29 HA SER 29 -8.573 -0.087 2.678 236 HB2 SER 29 2HB SER 29 -7.213 1.863 4.587 237 HB3 SER 29 3HB SER 29 -8.379 2.345 3.348 238 HG SER 29 HG SER 29 -9.248 1.955 5.536 239 H LEU 30 H LEU 30 -5.079 0.588 3.331 240 HA LEU 30 HA LEU 30 -4.667 2.153 1.017 241 HB2 LEU 30 2HB LEU 30 -3.138 2.128 2.945 242 HB3 LEU 30 3HB LEU 30 -2.800 0.410 2.696 243 HG LEU 30 HG LEU 30 -1.730 0.933 0.500 244 HD11 LEU 30 1HD1 LEU 30 -1.276 3.286 -0.089 245 HD12 LEU 30 2HD1 LEU 30 -3.039 2.944 -0.050 246 HD13 LEU 30 3HD1 LEU 30 -2.266 3.829 1.308 247 HD21 LEU 30 3HD2 LEU 30 -0.391 0.825 2.571 248 HD22 LEU 30 1HD2 LEU 30 0.263 2.058 1.441 249 HD23 LEU 30 2HD2 LEU 30 -0.699 2.569 2.869 250 H LYS 31 H LYS 31 -4.320 -1.421 1.654 251 HA LYS 31 HA LYS 31 -3.254 -1.944 -0.922 252 HB2 LYS 31 2HB LYS 31 -3.446 -4.238 -0.306 253 HB3 LYS 31 3HB LYS 31 -3.011 -3.363 1.168 254 HG2 LYS 31 2HG LYS 31 -5.451 -3.379 1.838 255 HG3 LYS 31 3HG LYS 31 -5.798 -4.371 0.415 256 HD2 LYS 31 2HD LYS 31 -4.125 -6.080 1.254 257 HD3 LYS 31 3HD LYS 31 -3.910 -5.106 2.714 258 HE2 LYS 31 2HE LYS 31 -6.367 -5.317 3.198 259 HE3 LYS 31 3HE LYS 31 -6.553 -6.326 1.757 260 HZ1 LYS 31 3HZ LYS 31 -4.976 -6.960 4.163 261 HZ2 LYS 31 1HZ LYS 31 -6.306 -7.731 3.613 262 HZ3 LYS 31 2HZ LYS 31 -4.900 -7.842 2.791 263 H ASP 32 H ASP 32 -6.597 -1.763 0.423 264 HA ASP 32 HA ASP 32 -7.951 -2.946 -1.699 265 HB2 ASP 32 2HB ASP 32 -8.920 -2.213 0.495 266 HB3 ASP 32 3HB ASP 32 -8.741 -0.527 -0.005 267 H LYS 33 H LYS 33 -6.713 0.457 -1.308 268 HA LYS 33 HA LYS 33 -7.867 1.433 -3.676 269 HB2 LYS 33 2HB LYS 33 -5.401 2.237 -2.069 270 HB3 LYS 33 3HB LYS 33 -5.986 3.152 -3.465 271 HG2 LYS 33 2HG LYS 33 -7.631 2.585 -0.950 272 HG3 LYS 33 3HG LYS 33 -6.728 4.076 -1.248 273 HD2 LYS 33 2HD LYS 33 -8.071 4.432 -3.357 274 HD3 LYS 33 3HD LYS 33 -9.007 2.980 -2.981 275 HE2 LYS 33 2HE LYS 33 -9.705 4.016 -0.798 276 HE3 LYS 33 3HE LYS 33 -8.801 5.477 -1.216 277 HZ1 LYS 33 3HZ LYS 33 -11.064 4.379 -2.758 278 HZ2 LYS 33 1HZ LYS 33 -11.119 5.682 -1.776 279 HZ3 LYS 33 2HZ LYS 33 -10.229 5.727 -3.144 280 H ILE 34 H ILE 34 -4.654 -0.154 -3.014 281 HA ILE 34 HA ILE 34 -3.648 0.152 -5.592 282 HB ILE 34 HB ILE 34 -3.216 -1.999 -3.461 283 HG12 ILE 34 2HG1 ILE 34 -1.392 0.272 -4.368 284 HG13 ILE 34 3HG1 ILE 34 -2.559 0.447 -3.051 285 HG21 ILE 34 1HG2 ILE 34 -1.196 -2.641 -4.731 286 HG22 ILE 34 2HG2 ILE 34 -2.698 -2.936 -5.671 287 HG23 ILE 34 3HG2 ILE 34 -1.668 -1.513 -6.047 288 HD11 ILE 34 3HD1 ILE 34 -0.270 -1.571 -3.148 289 HD12 ILE 34 1HD1 ILE 34 -0.317 -0.056 -2.185 290 HD13 ILE 34 2HD1 ILE 34 -1.456 -1.393 -1.810 291 H HIS 35 H HIS 35 -5.823 -2.374 -4.144 292 HA HIS 35 HA HIS 35 -5.724 -4.100 -6.376 293 HB2 HIS 35 2HB HIS 35 -6.445 -4.870 -4.174 294 HB3 HIS 35 3HB HIS 35 -7.769 -3.697 -4.141 295 HD2 HIS 35 HD2 HIS 35 -10.139 -4.824 -4.885 296 HE1 HIS 35 HE1 HIS 35 -8.570 -7.998 -7.290 297 H ILE 36 H ILE 36 -7.784 -1.245 -5.531 298 HA ILE 36 HA ILE 36 -9.702 -1.692 -7.526 299 HB ILE 36 HB ILE 36 -8.738 0.811 -6.063 300 HG12 ILE 36 2HG1 ILE 36 -11.374 -0.711 -5.873 301 HG13 ILE 36 3HG1 ILE 36 -9.975 -1.074 -4.854 302 HG21 ILE 36 1HG2 ILE 36 -10.737 1.956 -6.962 303 HG22 ILE 36 2HG2 ILE 36 -9.594 1.486 -8.265 304 HG23 ILE 36 3HG2 ILE 36 -11.088 0.527 -7.992 305 HD11 ILE 36 3HD1 ILE 36 -11.429 1.605 -4.996 306 HD12 ILE 36 1HD1 ILE 36 -11.565 0.384 -3.686 307 HD13 ILE 36 2HD1 ILE 36 -10.008 1.236 -3.961 308 H VAL 37 H VAL 37 -6.557 0.144 -7.507 309 HA VAL 37 HA VAL 37 -6.990 1.213 -10.102 310 HB VAL 37 HB VAL 37 -4.492 0.904 -8.360 311 HG11 VAL 37 1HG1 VAL 37 -3.419 2.520 -9.890 312 HG12 VAL 37 2HG1 VAL 37 -3.845 0.988 -10.724 313 HG13 VAL 37 3HG1 VAL 37 -4.857 2.452 -10.963 314 HG21 VAL 37 3HG2 VAL 37 -6.211 2.395 -7.440 315 HG22 VAL 37 1HG2 VAL 37 -4.783 3.332 -7.996 316 HG23 VAL 37 2HG2 VAL 37 -6.278 3.297 -8.991 317 H GLU 38 H GLU 38 -5.305 -1.710 -8.777 318 HA GLU 38 HA GLU 38 -4.251 -2.284 -11.443 319 HB2 GLU 38 2HB GLU 38 -3.820 -3.564 -8.702 320 HB3 GLU 38 3HB GLU 38 -3.070 -4.134 -10.198 321 HG2 GLU 38 2HG GLU 38 -2.667 -1.378 -8.935 322 HG3 GLU 38 3HG GLU 38 -1.526 -2.727 -8.869 323 H ASN 39 H ASN 39 -4.209 -4.943 -11.737 324 HA ASN 39 HA ASN 39 -7.042 -5.712 -11.489 325 HB2 ASN 39 2HB ASN 39 -5.017 -6.334 -13.669 326 HB3 ASN 39 3HB ASN 39 -6.599 -7.113 -13.527 327 HD21 ASN 39 1HD2 ASN 39 -5.513 -5.483 -15.659 328 HD22 ASN 39 2HD2 ASN 39 -6.666 -4.214 -15.900 329 H THR 40 H THR 40 -4.622 -6.178 -9.610 330 HA THR 40 HA THR 40 -4.492 -9.101 -9.871 331 HB THR 40 HB THR 40 -2.596 -7.127 -8.497 332 HG1 THR 40 HG1 THR 40 -2.185 -8.920 -10.753 333 HG21 THR 40 3HG2 THR 40 -2.448 -10.170 -8.767 334 HG22 THR 40 1HG2 THR 40 -1.167 -9.110 -8.087 335 HG23 THR 40 2HG2 THR 40 -2.751 -9.253 -7.252 336 HA PRO 41 HA PRO 41 -7.037 -9.346 -6.204 337 HB2 PRO 41 2HB PRO 41 -5.493 -11.967 -5.939 338 HB3 PRO 41 3HB PRO 41 -7.242 -11.713 -5.885 339 HG2 PRO 41 2HG PRO 41 -6.151 -12.765 -8.076 340 HG3 PRO 41 3HG PRO 41 -7.431 -11.556 -8.245 341 HD2 PRO 41 2HD PRO 41 -4.431 -11.218 -8.602 342 HD3 PRO 41 3HD PRO 41 -5.749 -10.516 -9.550 343 H ILE 42 H ILE 42 -6.886 -8.934 -4.044 344 HA ILE 42 HA ILE 42 -4.508 -7.803 -3.182 345 HB ILE 42 HB ILE 42 -6.976 -8.812 -1.692 346 HG12 ILE 42 2HG1 ILE 42 -5.986 -5.981 -2.259 347 HG13 ILE 42 3HG1 ILE 42 -7.118 -6.850 -3.304 348 HG21 ILE 42 1HG2 ILE 42 -6.162 -7.546 0.269 349 HG22 ILE 42 2HG2 ILE 42 -5.064 -8.902 -0.155 350 HG23 ILE 42 3HG2 ILE 42 -4.619 -7.217 -0.589 351 HD11 ILE 42 3HD1 ILE 42 -7.576 -6.155 -0.367 352 HD12 ILE 42 1HD1 ILE 42 -8.304 -5.329 -1.786 353 HD13 ILE 42 2HD1 ILE 42 -8.726 -7.038 -1.428 354 H LYS 43 H LYS 43 -5.807 -11.155 -2.803 355 HA LYS 43 HA LYS 43 -4.037 -11.921 -0.746 356 HB2 LYS 43 2HB LYS 43 -5.573 -13.482 -2.872 357 HB3 LYS 43 3HB LYS 43 -4.639 -14.254 -1.583 358 HG2 LYS 43 2HG LYS 43 -6.070 -13.144 0.128 359 HG3 LYS 43 3HG LYS 43 -6.994 -12.347 -1.152 360 HD2 LYS 43 2HD LYS 43 -7.673 -14.569 -2.062 361 HD3 LYS 43 3HD LYS 43 -6.724 -15.382 -0.810 362 HE2 LYS 43 2HE LYS 43 -8.126 -14.314 0.958 363 HE3 LYS 43 3HE LYS 43 -9.066 -13.476 -0.284 364 HZ1 LYS 43 3HZ LYS 43 -8.875 -16.405 0.019 365 HZ2 LYS 43 1HZ LYS 43 -10.152 -15.480 0.445 366 HZ3 LYS 43 2HZ LYS 43 -9.743 -15.632 -1.129 367 H ARG 44 H ARG 44 -3.560 -11.398 -4.200 368 HA ARG 44 HA ARG 44 -1.176 -13.100 -4.148 369 HB2 ARG 44 2HB ARG 44 -2.598 -11.781 -6.476 370 HB3 ARG 44 3HB ARG 44 -1.143 -12.781 -6.584 371 HG2 ARG 44 2HG ARG 44 -3.833 -13.734 -5.507 372 HG3 ARG 44 3HG ARG 44 -3.268 -13.972 -7.166 373 HD2 ARG 44 2HD ARG 44 -1.369 -15.275 -6.350 374 HD3 ARG 44 3HD ARG 44 -1.890 -15.010 -4.681 375 HE ARG 44 HE ARG 44 -4.022 -16.203 -6.130 376 HH11 ARG 44 1HH1 ARG 44 -0.817 -17.018 -4.940 377 HH12 ARG 44 2HH1 ARG 44 -1.194 -18.696 -4.732 378 HH21 ARG 44 1HH2 ARG 44 -4.488 -18.356 -5.869 379 HH22 ARG 44 2HH2 ARG 44 -3.303 -19.466 -5.266 380 H MET 45 H MET 45 -2.276 -9.682 -4.471 381 HA MET 45 HA MET 45 0.193 -8.672 -5.398 382 HB2 MET 45 2HB MET 45 -1.973 -7.490 -5.583 383 HB3 MET 45 3HB MET 45 -2.087 -7.384 -3.821 384 HG2 MET 45 2HG MET 45 0.318 -6.204 -5.239 385 HG3 MET 45 3HG MET 45 -1.221 -5.333 -5.250 386 HE1 MET 45 3HE MET 45 -2.390 -5.668 -1.942 387 HE2 MET 45 1HE MET 45 -1.813 -3.967 -1.939 388 HE3 MET 45 2HE MET 45 -2.514 -4.675 -3.433 389 H GLN 46 H GLN 46 2.070 -8.077 -4.351 390 HA GLN 46 HA GLN 46 2.095 -8.541 -1.445 391 HB2 GLN 46 2HB GLN 46 4.414 -8.331 -3.430 392 HB3 GLN 46 3HB GLN 46 4.525 -8.787 -1.725 393 HG2 GLN 46 2HG GLN 46 3.054 -10.367 -3.885 394 HG3 GLN 46 3HG GLN 46 4.669 -10.735 -3.265 395 HE21 GLN 46 1HE2 GLN 46 1.535 -11.659 -3.062 396 HE22 GLN 46 2HE2 GLN 46 1.490 -12.298 -1.453 397 H LEU 47 H LEU 47 2.763 -6.909 -0.001 398 HA LEU 47 HA LEU 47 3.095 -4.260 -1.263 399 HB2 LEU 47 2HB LEU 47 0.801 -4.442 -0.519 400 HB3 LEU 47 3HB LEU 47 1.285 -5.158 1.023 401 HG LEU 47 HG LEU 47 2.365 -2.993 1.682 402 HD11 LEU 47 1HD1 LEU 47 1.922 -0.979 0.329 403 HD12 LEU 47 2HD1 LEU 47 2.906 -2.179 -0.576 404 HD13 LEU 47 3HD1 LEU 47 1.157 -1.996 -0.938 405 HD21 LEU 47 3HD2 LEU 47 0.035 -3.513 2.315 406 HD22 LEU 47 1HD2 LEU 47 0.246 -1.756 2.005 407 HD23 LEU 47 2HD2 LEU 47 -0.549 -2.797 0.776 408 H TYR 48 H TYR 48 5.041 -3.386 -0.700 409 HA TYR 48 HA TYR 48 5.945 -3.882 2.067 410 HB2 TYR 48 2HB TYR 48 7.431 -5.073 0.578 411 HB3 TYR 48 3HB TYR 48 7.519 -3.706 -0.541 412 HD1 TYR 48 HD1 TYR 48 8.412 -4.753 2.949 413 HD2 TYR 48 HD2 TYR 48 9.198 -2.060 -0.300 414 HE1 TYR 48 HE1 TYR 48 10.413 -3.911 4.137 415 HE2 TYR 48 HE2 TYR 48 11.202 -1.215 0.881 416 HH TYR 48 HH TYR 48 11.936 -2.206 4.213 417 H TYR 49 H TYR 49 6.666 -2.073 3.245 418 HA TYR 49 HA TYR 49 6.486 0.496 1.805 419 HB2 TYR 49 2HB TYR 49 4.748 0.483 3.419 420 HB3 TYR 49 3HB TYR 49 5.732 -0.365 4.619 421 HD1 TYR 49 HD1 TYR 49 5.957 2.837 2.619 422 HD2 TYR 49 HD2 TYR 49 6.409 0.913 6.428 423 HE1 TYR 49 HE1 TYR 49 6.587 5.004 3.633 424 HE2 TYR 49 HE2 TYR 49 7.035 3.078 7.452 425 HH TYR 49 HH TYR 49 6.498 5.636 6.835 426 H SER 50 H SER 50 8.263 1.864 1.859 427 HA SER 50 HA SER 50 10.779 1.198 2.256 428 HB2 SER 50 2HB SER 50 9.993 3.442 1.592 429 HB3 SER 50 3HB SER 50 9.475 3.772 3.250 430 HG SER 50 HG SER 50 11.556 4.665 2.779 431 H GLY 51 H GLY 51 11.551 -0.220 3.821 432 HA2 GLY 51 2HA GLY 51 12.645 -0.315 5.883 433 HA3 GLY 51 3HA GLY 51 11.497 0.849 6.557 434 H ILE 52 H ILE 52 9.206 0.093 6.969 435 HA ILE 52 HA ILE 52 9.350 -2.671 7.886 436 HB ILE 52 HB ILE 52 7.410 -0.387 8.513 437 HG12 ILE 52 2HG1 ILE 52 9.498 -1.746 10.278 438 HG13 ILE 52 3HG1 ILE 52 9.786 -0.239 9.398 439 HG21 ILE 52 1HG2 ILE 52 6.518 -1.886 10.266 440 HG22 ILE 52 2HG2 ILE 52 6.272 -2.562 8.620 441 HG23 ILE 52 3HG2 ILE 52 7.578 -3.207 9.670 442 HD11 ILE 52 3HD1 ILE 52 7.644 -0.678 11.525 443 HD12 ILE 52 1HD1 ILE 52 9.194 0.203 11.737 444 HD13 ILE 52 2HD1 ILE 52 7.936 0.852 10.632 445 H GLU 53 H GLU 53 8.150 -4.315 6.950 446 HA GLU 53 HA GLU 53 6.627 -3.722 4.602 447 HB2 GLU 53 2HB GLU 53 8.013 -5.772 4.897 448 HB3 GLU 53 3HB GLU 53 6.965 -6.292 6.223 449 HG2 GLU 53 2HG GLU 53 5.037 -6.435 4.656 450 HG3 GLU 53 3HG GLU 53 6.069 -5.891 3.326 451 H LEU 54 H LEU 54 4.384 -3.690 4.307 452 HA LEU 54 HA LEU 54 2.888 -3.235 6.753 453 HB2 LEU 54 2HB LEU 54 2.014 -3.087 3.829 454 HB3 LEU 54 3HB LEU 54 1.149 -2.435 5.227 455 HG LEU 54 HG LEU 54 3.859 -1.458 4.179 456 HD11 LEU 54 1HD1 LEU 54 2.596 0.581 3.606 457 HD12 LEU 54 2HD1 LEU 54 1.952 -0.857 2.744 458 HD13 LEU 54 3HD1 LEU 54 1.078 -0.197 4.168 459 HD21 LEU 54 3HD2 LEU 54 3.693 -1.301 6.637 460 HD22 LEU 54 1HD2 LEU 54 3.604 0.323 5.875 461 HD23 LEU 54 2HD2 LEU 54 2.110 -0.467 6.482 462 H ALA 55 H ALA 55 3.246 -5.711 7.297 463 HA ALA 55 HA ALA 55 1.922 -7.517 5.467 464 HB1 ALA 55 3HB ALA 55 3.379 -7.948 8.122 465 HB2 ALA 55 1HB ALA 55 2.806 -9.244 7.019 466 HB3 ALA 55 2HB ALA 55 4.088 -8.108 6.480 467 H ASP 56 H ASP 56 1.290 -6.012 8.677 468 HA ASP 56 HA ASP 56 -0.748 -8.024 9.224 469 HB2 ASP 56 2HB ASP 56 0.533 -5.770 10.830 470 HB3 ASP 56 3HB ASP 56 -0.862 -6.683 11.420 471 H ASP 57 H ASP 57 -2.928 -7.674 8.950 472 HA ASP 57 HA ASP 57 -3.719 -5.319 7.569 473 HB2 ASP 57 2HB ASP 57 -5.176 -7.725 8.743 474 HB3 ASP 57 3HB ASP 57 -6.047 -6.390 7.978 475 H TYR 58 H TYR 58 -3.851 -6.388 11.007 476 HA TYR 58 HA TYR 58 -5.982 -4.560 11.626 477 HB2 TYR 58 2HB TYR 58 -5.844 -5.475 13.825 478 HB3 TYR 58 3HB TYR 58 -5.583 -6.824 12.711 479 HD1 TYR 58 HD1 TYR 58 -3.342 -7.844 12.470 480 HD2 TYR 58 HD2 TYR 58 -4.053 -4.675 15.275 481 HE1 TYR 58 HE1 TYR 58 -1.217 -8.385 13.616 482 HE2 TYR 58 HE2 TYR 58 -1.927 -5.208 16.424 483 HH TYR 58 HH TYR 58 0.172 -7.897 15.263 484 H ARG 59 H ARG 59 -2.557 -4.244 11.217 485 HA ARG 59 HA ARG 59 -2.228 -2.235 13.250 486 HB2 ARG 59 2HB ARG 59 -0.447 -3.194 11.000 487 HB3 ARG 59 3HB ARG 59 -0.013 -1.894 12.118 488 HG2 ARG 59 2HG ARG 59 -0.827 -4.641 13.122 489 HG3 ARG 59 3HG ARG 59 0.826 -4.305 12.590 490 HD2 ARG 59 2HD ARG 59 1.065 -2.572 14.251 491 HD3 ARG 59 3HD ARG 59 -0.632 -2.735 14.722 492 HE ARG 59 HE ARG 59 0.555 -5.255 15.070 493 HH11 ARG 59 1HH1 ARG 59 0.947 -2.017 16.381 494 HH12 ARG 59 2HH1 ARG 59 1.459 -2.586 17.935 495 HH21 ARG 59 1HH2 ARG 59 1.226 -5.968 17.061 496 HH22 ARG 59 2HH2 ARG 59 1.621 -4.853 18.326 497 H ASN 60 H ASN 60 -2.103 0.032 12.974 498 HA ASN 60 HA ASN 60 -3.672 0.951 10.735 499 HB2 ASN 60 2HB ASN 60 -2.499 2.327 13.177 500 HB3 ASN 60 3HB ASN 60 -3.415 3.172 11.923 501 HD21 ASN 60 1HD2 ASN 60 -3.632 1.856 14.877 502 HD22 ASN 60 2HD2 ASN 60 -5.336 1.552 14.939 503 H LEU 61 H LEU 61 -3.005 2.789 9.336 504 HA LEU 61 HA LEU 61 -0.451 2.528 8.245 505 HB2 LEU 61 2HB LEU 61 -2.512 4.783 8.204 506 HB3 LEU 61 3HB LEU 61 -1.024 4.823 7.250 507 HG LEU 61 HG LEU 61 -3.112 2.597 7.015 508 HD11 LEU 61 1HD1 LEU 61 -3.838 3.749 4.957 509 HD12 LEU 61 2HD1 LEU 61 -4.101 4.770 6.411 510 HD13 LEU 61 3HD1 LEU 61 -2.716 5.104 5.317 511 HD21 LEU 61 3HD2 LEU 61 -0.822 2.009 6.301 512 HD22 LEU 61 1HD2 LEU 61 -1.925 2.146 4.891 513 HD23 LEU 61 2HD2 LEU 61 -0.767 3.469 5.257 514 H ASN 62 H ASN 62 -1.713 4.813 10.780 515 HA ASN 62 HA ASN 62 0.606 6.367 10.928 516 HB2 ASN 62 2HB ASN 62 -1.560 7.009 11.896 517 HB3 ASN 62 3HB ASN 62 -1.454 5.682 13.061 518 HD21 ASN 62 1HD2 ASN 62 -0.772 6.203 14.978 519 HD22 ASN 62 2HD2 ASN 62 0.330 7.478 15.380 520 H GLU 63 H GLU 63 -0.289 3.216 12.467 521 HA GLU 63 HA GLU 63 1.800 3.254 14.369 522 HB2 GLU 63 2HB GLU 63 0.095 1.064 13.112 523 HB3 GLU 63 3HB GLU 63 1.341 0.709 14.316 524 HG2 GLU 63 2HG GLU 63 0.199 2.077 15.993 525 HG3 GLU 63 3HG GLU 63 -0.971 2.650 14.798 526 H TYR 64 H TYR 64 1.661 2.385 10.901 527 HA TYR 64 HA TYR 64 4.158 0.942 11.007 528 HB2 TYR 64 2HB TYR 64 2.197 1.822 8.869 529 HB3 TYR 64 3HB TYR 64 3.823 1.304 8.403 530 HD1 TYR 64 HD1 TYR 64 4.600 -1.012 9.535 531 HD2 TYR 64 HD2 TYR 64 0.521 0.206 8.968 532 HE1 TYR 64 HE1 TYR 64 3.880 -3.377 9.646 533 HE2 TYR 64 HE2 TYR 64 -0.205 -2.158 9.083 534 HH TYR 64 HH TYR 64 0.420 -4.276 9.224 535 H GLY 65 H GLY 65 3.206 4.308 10.906 536 HA2 GLY 65 2HA GLY 65 4.674 6.089 10.872 537 HA3 GLY 65 3HA GLY 65 5.938 5.057 10.192 538 H ILE 66 H ILE 66 2.628 5.054 8.804 539 HA ILE 66 HA ILE 66 3.744 5.861 6.293 540 HB ILE 66 HB ILE 66 0.859 5.302 7.158 541 HG12 ILE 66 2HG1 ILE 66 2.418 3.373 7.387 542 HG13 ILE 66 3HG1 ILE 66 1.156 3.112 6.177 543 HG21 ILE 66 1HG2 ILE 66 0.405 5.076 4.737 544 HG22 ILE 66 2HG2 ILE 66 0.954 6.732 5.162 545 HG23 ILE 66 3HG2 ILE 66 2.089 5.583 4.377 546 HD11 ILE 66 3HD1 ILE 66 4.042 3.918 5.597 547 HD12 ILE 66 1HD1 ILE 66 3.325 2.285 5.385 548 HD13 ILE 66 2HD1 ILE 66 2.760 3.653 4.368 549 H THR 67 H THR 67 3.968 7.970 5.617 550 HA THR 67 HA THR 67 2.349 9.953 7.055 551 HB THR 67 HB THR 67 4.151 11.545 6.652 552 HG1 THR 67 HG1 THR 67 6.101 10.806 5.541 553 HG21 THR 67 3HG2 THR 67 5.271 8.865 7.609 554 HG22 THR 67 1HG2 THR 67 5.996 10.479 7.915 555 HG23 THR 67 2HG2 THR 67 4.393 10.067 8.613 556 H GLU 68 H GLU 68 2.409 12.176 5.549 557 HA GLU 68 HA GLU 68 0.803 11.668 3.327 558 HB2 GLU 68 2HB GLU 68 0.955 13.815 4.608 559 HB3 GLU 68 3HB GLU 68 2.573 14.083 3.946 560 HG2 GLU 68 2HG GLU 68 1.656 14.219 1.659 561 HG3 GLU 68 3HG GLU 68 0.036 13.834 2.255 562 H PHE 69 H PHE 69 4.310 11.471 3.704 563 HA PHE 69 HA PHE 69 4.621 11.663 0.779 564 HB2 PHE 69 2HB PHE 69 6.672 11.936 3.033 565 HB3 PHE 69 3HB PHE 69 7.022 12.066 1.304 566 HD1 PHE 69 HD1 PHE 69 5.958 13.953 -0.027 567 HD2 PHE 69 HD2 PHE 69 5.845 13.790 4.265 568 HE1 PHE 69 HE1 PHE 69 5.448 16.374 0.052 569 HE2 PHE 69 HE2 PHE 69 5.332 16.212 4.341 570 HZ PHE 69 HZ PHE 69 5.136 17.508 2.238 571 H SER 70 H SER 70 3.736 9.269 2.633 572 HA SER 70 HA SER 70 5.833 7.466 2.884 573 HB2 SER 70 2HB SER 70 3.671 7.170 3.967 574 HB3 SER 70 3HB SER 70 2.846 7.077 2.405 575 HG SER 70 HG SER 70 4.802 5.226 3.441 576 H GLU 71 H GLU 71 6.902 6.062 1.510 577 HA GLU 71 HA GLU 71 5.791 5.834 -1.216 578 HB2 GLU 71 2HB GLU 71 8.693 5.889 -0.262 579 HB3 GLU 71 3HB GLU 71 8.199 5.418 -1.893 580 HG2 GLU 71 2HG GLU 71 7.182 7.683 -2.226 581 HG3 GLU 71 3HG GLU 71 7.712 8.150 -0.604 582 H ILE 72 H ILE 72 5.026 3.801 -1.630 583 HA ILE 72 HA ILE 72 6.265 1.617 -0.102 584 HB ILE 72 HB ILE 72 4.071 0.442 -0.334 585 HG12 ILE 72 2HG1 ILE 72 3.041 3.112 -1.397 586 HG13 ILE 72 3HG1 ILE 72 3.394 1.712 -2.419 587 HG21 ILE 72 1HG2 ILE 72 2.823 1.819 1.296 588 HG22 ILE 72 2HG2 ILE 72 4.570 1.723 1.701 589 HG23 ILE 72 3HG2 ILE 72 3.903 3.209 0.944 590 HD11 ILE 72 3HD1 ILE 72 1.350 1.797 -0.154 591 HD12 ILE 72 1HD1 ILE 72 0.997 1.857 -1.913 592 HD13 ILE 72 2HD1 ILE 72 1.708 0.375 -1.191 593 H VAL 73 H VAL 73 6.777 -0.337 -1.227 594 HA VAL 73 HA VAL 73 6.621 -0.070 -4.145 595 HB VAL 73 HB VAL 73 8.470 -1.756 -2.381 596 HG11 VAL 73 1HG1 VAL 73 9.646 -2.291 -4.494 597 HG12 VAL 73 2HG1 VAL 73 7.953 -2.889 -4.502 598 HG13 VAL 73 3HG1 VAL 73 8.385 -1.404 -5.415 599 HG21 VAL 73 3HG2 VAL 73 8.995 0.646 -2.316 600 HG22 VAL 73 1HG2 VAL 73 10.246 -0.256 -3.235 601 HG23 VAL 73 2HG2 VAL 73 9.007 0.705 -4.111 602 H VAL 74 H VAL 74 5.435 -1.581 -5.338 603 HA VAL 74 HA VAL 74 4.195 -3.694 -3.711 604 HB VAL 74 HB VAL 74 2.860 -1.937 -5.833 605 HG11 VAL 74 1HG1 VAL 74 0.778 -3.059 -5.104 606 HG12 VAL 74 2HG1 VAL 74 1.965 -4.225 -5.779 607 HG13 VAL 74 3HG1 VAL 74 1.734 -4.106 -4.002 608 HG21 VAL 74 3HG2 VAL 74 3.302 -0.693 -3.758 609 HG22 VAL 74 1HG2 VAL 74 1.547 -1.027 -3.941 610 HG23 VAL 74 2HG2 VAL 74 2.532 -1.999 -2.796 611 H PHE 75 H PHE 75 4.016 -5.731 -4.695 612 HA PHE 75 HA PHE 75 4.980 -5.864 -7.484 613 HB2 PHE 75 2HB PHE 75 5.321 -7.853 -5.185 614 HB3 PHE 75 3HB PHE 75 5.825 -8.135 -6.856 615 HD1 PHE 75 HD1 PHE 75 7.693 -6.815 -7.843 616 HD2 PHE 75 HD2 PHE 75 6.605 -6.453 -3.703 617 HE1 PHE 75 HE1 PHE 75 9.872 -5.744 -7.364 618 HE2 PHE 75 HE2 PHE 75 8.785 -5.381 -3.225 619 HZ PHE 75 HZ PHE 75 10.423 -5.025 -5.054 620 H LEU 76 H LEU 76 3.868 -7.243 -8.939 621 HA LEU 76 HA LEU 76 1.210 -8.039 -7.956 622 HB2 LEU 76 2HB LEU 76 2.270 -7.585 -10.789 623 HB3 LEU 76 3HB LEU 76 0.606 -8.007 -10.365 624 HG LEU 76 HG LEU 76 2.030 -5.422 -9.535 625 HD11 LEU 76 1HD1 LEU 76 0.515 -4.352 -11.163 626 HD12 LEU 76 2HD1 LEU 76 1.603 -5.540 -11.958 627 HD13 LEU 76 3HD1 LEU 76 -0.113 -5.965 -11.642 628 HD21 LEU 76 3HD2 LEU 76 0.329 -6.180 -7.913 629 HD22 LEU 76 1HD2 LEU 76 -0.232 -4.729 -8.810 630 HD23 LEU 76 2HD2 LEU 76 -0.868 -6.352 -9.241 631 H LYS 77 H LYS 77 0.528 -10.171 -8.004 632 HA LYS 77 HA LYS 77 2.339 -12.078 -9.342 633 HB2 LYS 77 2HB LYS 77 0.837 -12.385 -6.698 634 HB3 LYS 77 3HB LYS 77 1.699 -13.687 -7.528 635 HG2 LYS 77 2HG LYS 77 2.966 -11.123 -6.442 636 HG3 LYS 77 3HG LYS 77 3.028 -12.713 -5.670 637 HD2 LYS 77 2HD LYS 77 4.196 -13.635 -7.696 638 HD3 LYS 77 3HD LYS 77 4.161 -12.029 -8.436 639 HE2 LYS 77 2HE LYS 77 5.470 -11.125 -6.485 640 HE3 LYS 77 3HE LYS 77 5.542 -12.754 -5.799 641 HZ1 LYS 77 3HZ LYS 77 6.655 -11.959 -8.414 642 HZ2 LYS 77 1HZ LYS 77 7.514 -12.234 -7.053 643 HZ3 LYS 77 2HZ LYS 77 6.722 -13.462 -7.781 644 H SER 78 H SER 78 0.672 -11.492 -11.160 645 HA SER 78 HA SER 78 -1.094 -13.740 -11.269 646 HB2 SER 78 2HB SER 78 -3.168 -12.551 -11.532 647 HB3 SER 78 3HB SER 78 -2.463 -12.069 -9.984 648 HG SER 78 HG SER 78 -3.318 -10.315 -11.357 649 H ILE 79 H ILE 79 -2.101 -13.936 -13.481 650 HA ILE 79 HA ILE 79 -0.613 -12.302 -15.419 651 HB ILE 79 HB ILE 79 -1.695 -15.157 -15.645 652 HG12 ILE 79 2HG1 ILE 79 1.161 -14.082 -15.792 653 HG13 ILE 79 3HG1 ILE 79 0.440 -14.796 -14.343 654 HG21 ILE 79 1HG2 ILE 79 -0.694 -15.157 -17.905 655 HG22 ILE 79 2HG2 ILE 79 -2.006 -13.940 -17.755 656 HG23 ILE 79 3HG2 ILE 79 -0.288 -13.417 -17.722 657 HD11 ILE 79 3HD1 ILE 79 0.831 -16.208 -17.021 658 HD12 ILE 79 1HD1 ILE 79 1.823 -16.432 -15.541 659 HD13 ILE 79 2HD1 ILE 79 0.099 -16.933 -15.550 660 H ASN 80 H ASN 80 -3.773 -14.027 -14.782 661 HA ASN 80 HA ASN 80 -5.069 -12.807 -16.987 662 HB2 ASN 80 2HB ASN 80 -6.062 -14.233 -14.500 663 HB3 ASN 80 3HB ASN 80 -7.152 -13.578 -15.729 664 HD21 ASN 80 1HD2 ASN 80 -7.061 -16.250 -15.040 665 HD22 ASN 80 2HD2 ASN 80 -6.564 -17.147 -16.436 666 H ARG 81 H ARG 81 -6.799 -11.169 -16.919 667 HA ARG 81 HA ARG 81 -6.312 -9.254 -14.740 668 HB2 ARG 81 2HB ARG 81 -7.193 -8.777 -17.597 669 HB3 ARG 81 3HB ARG 81 -7.141 -7.541 -16.334 670 HG2 ARG 81 2HG ARG 81 -4.701 -7.883 -16.083 671 HG3 ARG 81 3HG ARG 81 -4.742 -9.146 -17.320 672 HD2 ARG 81 2HD ARG 81 -5.524 -7.501 -18.968 673 HD3 ARG 81 3HD ARG 81 -5.472 -6.240 -17.730 674 HE ARG 81 HE ARG 81 -2.913 -7.299 -17.761 675 HH11 ARG 81 1HH1 ARG 81 -5.022 -5.868 -20.182 676 HH12 ARG 81 2HH1 ARG 81 -3.710 -5.194 -21.090 677 HH21 ARG 81 1HH2 ARG 81 -1.244 -6.440 -18.942 678 HH22 ARG 81 2HH2 ARG 81 -1.542 -5.523 -20.381 679 H ALA 82 H ALA 82 -8.195 -7.949 -13.994 680 HA ALA 82 HA ALA 82 -10.817 -8.952 -14.702 681 HB1 ALA 82 3HB ALA 82 -9.678 -9.240 -11.879 682 HB2 ALA 82 1HB ALA 82 -11.392 -9.497 -12.349 683 HB3 ALA 82 2HB ALA 82 -10.112 -10.580 -12.993 684 H LYS 83 H LYS 83 -12.539 -7.531 -13.977 685 HA LYS 83 HA LYS 83 -11.733 -4.819 -13.758 686 HB2 LYS 83 2HB LYS 83 -13.814 -5.548 -14.868 687 HB3 LYS 83 3HB LYS 83 -14.423 -6.207 -13.345 688 HG2 LYS 83 2HG LYS 83 -14.449 -3.924 -12.354 689 HG3 LYS 83 3HG LYS 83 -13.810 -3.255 -13.861 690 HD2 LYS 83 2HD LYS 83 -15.820 -4.090 -15.091 691 HD3 LYS 83 3HD LYS 83 -16.459 -4.774 -13.590 692 HE2 LYS 83 2HE LYS 83 -16.473 -2.481 -12.566 693 HE3 LYS 83 3HE LYS 83 -15.868 -1.808 -14.085 694 HZ1 LYS 83 3HZ LYS 83 -18.429 -3.238 -13.759 695 HZ2 LYS 83 1HZ LYS 83 -18.250 -1.624 -13.923 696 HZ3 LYS 83 2HZ LYS 83 -17.870 -2.617 -15.162 697 H ASP 84 H ASP 84 -13.674 -6.866 -11.409 698 HA ASP 84 HA ASP 84 -13.081 -5.097 -9.255 699 HB2 ASP 84 2HB ASP 84 -14.256 -7.901 -9.474 700 HB3 ASP 84 3HB ASP 84 -13.996 -7.108 -7.915 Start of MODEL 8 1 H ALA 1 1H ALA 1 -11.230 21.895 2.086 2 HA ALA 1 HA ALA 1 -9.170 21.661 3.224 3 HB1 ALA 1 3HB ALA 1 -11.652 20.941 4.860 4 HB2 ALA 1 1HB ALA 1 -10.113 21.590 5.521 5 HB3 ALA 1 2HB ALA 1 -11.111 22.595 4.417 6 H ALA 2 H ALA 2 -7.527 20.233 3.564 7 HA ALA 2 HA ALA 2 -8.183 17.408 3.744 8 HB1 ALA 2 3HB ALA 2 -5.529 18.924 3.646 9 HB2 ALA 2 1HB ALA 2 -5.720 17.139 3.582 10 HB3 ALA 2 2HB ALA 2 -6.371 18.160 2.256 11 H VAL 3 H VAL 3 -8.763 16.613 5.731 12 HA VAL 3 HA VAL 3 -7.137 17.539 7.997 13 HB VAL 3 HB VAL 3 -10.128 16.883 7.967 14 HG11 VAL 3 1HG1 VAL 3 -10.076 17.543 10.353 15 HG12 VAL 3 2HG1 VAL 3 -9.043 16.109 10.033 16 HG13 VAL 3 3HG1 VAL 3 -8.292 17.725 10.259 17 HG21 VAL 3 3HG2 VAL 3 -9.617 19.087 7.007 18 HG22 VAL 3 1HG2 VAL 3 -10.406 19.257 8.611 19 HG23 VAL 3 2HG2 VAL 3 -8.634 19.503 8.451 20 H ARG 4 H ARG 4 -5.832 15.811 8.555 21 HA ARG 4 HA ARG 4 -5.212 13.783 9.158 22 HB2 ARG 4 2HB ARG 4 -8.168 13.224 9.506 23 HB3 ARG 4 3HB ARG 4 -6.848 12.181 10.051 24 HG2 ARG 4 2HG ARG 4 -6.049 13.914 11.585 25 HG3 ARG 4 3HG ARG 4 -7.255 15.056 10.977 26 HD2 ARG 4 2HD ARG 4 -9.033 13.474 11.754 27 HD3 ARG 4 3HD ARG 4 -7.762 12.496 12.498 28 HE ARG 4 HE ARG 4 -7.482 15.139 13.448 29 HH11 ARG 4 1HH1 ARG 4 -9.821 12.523 13.636 30 HH12 ARG 4 2HH1 ARG 4 -10.375 12.979 15.212 31 HH21 ARG 4 1HH2 ARG 4 -8.212 15.721 15.458 32 HH22 ARG 4 2HH2 ARG 4 -9.453 14.816 16.260 33 H LYS 5 H LYS 5 -5.940 14.479 6.254 34 HA LYS 5 HA LYS 5 -6.238 11.707 5.307 35 HB2 LYS 5 2HB LYS 5 -6.394 14.368 3.812 36 HB3 LYS 5 3HB LYS 5 -6.618 12.767 3.095 37 HG2 LYS 5 2HG LYS 5 -8.389 13.939 5.298 38 HG3 LYS 5 3HG LYS 5 -8.765 13.996 3.570 39 HD2 LYS 5 2HD LYS 5 -8.586 11.447 3.527 40 HD3 LYS 5 3HD LYS 5 -8.418 11.483 5.287 41 HE2 LYS 5 2HE LYS 5 -10.623 12.722 5.429 42 HE3 LYS 5 3HE LYS 5 -10.795 12.553 3.677 43 HZ1 LYS 5 3HZ LYS 5 -10.572 10.308 5.579 44 HZ2 LYS 5 1HZ LYS 5 -11.950 10.818 4.867 45 HZ3 LYS 5 2HZ LYS 5 -10.757 10.164 3.964 46 H ILE 6 H ILE 6 -4.638 10.770 3.928 47 HA ILE 6 HA ILE 6 -2.305 12.448 3.394 48 HB ILE 6 HB ILE 6 -0.841 10.439 3.887 49 HG12 ILE 6 2HG1 ILE 6 -3.345 9.401 5.296 50 HG13 ILE 6 3HG1 ILE 6 -2.726 8.772 3.763 51 HG21 ILE 6 1HG2 ILE 6 -0.854 10.761 6.337 52 HG22 ILE 6 2HG2 ILE 6 -1.018 12.318 5.457 53 HG23 ILE 6 3HG2 ILE 6 -2.458 11.562 6.220 54 HD11 ILE 6 3HD1 ILE 6 -1.237 8.756 6.428 55 HD12 ILE 6 1HD1 ILE 6 -2.038 7.353 5.643 56 HD13 ILE 6 2HD1 ILE 6 -0.609 8.118 4.871 57 H HIS 7 H HIS 7 -1.066 11.760 1.478 58 HA HIS 7 HA HIS 7 -2.455 9.706 -0.121 59 HB2 HIS 7 2HB HIS 7 -0.653 12.026 -0.973 60 HB3 HIS 7 3HB HIS 7 -1.288 10.788 -2.064 61 HD2 HIS 7 HD2 HIS 7 -3.927 11.173 -2.900 62 HE1 HIS 7 HE1 HIS 7 -4.649 14.698 -0.579 63 H VAL 8 H VAL 8 -1.252 7.961 -0.977 64 HA VAL 8 HA VAL 8 1.503 7.819 0.043 65 HB VAL 8 HB VAL 8 -0.522 5.568 -0.412 66 HG11 VAL 8 1HG1 VAL 8 1.201 4.111 0.605 67 HG12 VAL 8 2HG1 VAL 8 1.775 4.859 -0.924 68 HG13 VAL 8 3HG1 VAL 8 2.338 5.500 0.656 69 HG21 VAL 8 3HG2 VAL 8 -1.027 6.919 1.576 70 HG22 VAL 8 1HG2 VAL 8 -0.413 5.297 2.044 71 HG23 VAL 8 2HG2 VAL 8 0.664 6.731 2.150 72 H THR 9 H THR 9 3.143 7.249 -1.422 73 HA THR 9 HA THR 9 2.344 7.304 -4.194 74 HB THR 9 HB THR 9 5.091 7.209 -2.840 75 HG1 THR 9 HG1 THR 9 5.107 9.468 -3.535 76 HG21 THR 9 3HG2 THR 9 4.326 7.694 -5.761 77 HG22 THR 9 1HG2 THR 9 5.976 7.843 -5.065 78 HG23 THR 9 2HG2 THR 9 5.161 6.243 -5.109 79 H VAL 10 H VAL 10 1.972 5.452 -5.378 80 HA VAL 10 HA VAL 10 2.924 2.949 -4.228 81 HB VAL 10 HB VAL 10 0.951 3.492 -6.504 82 HG11 VAL 10 1HG1 VAL 10 0.328 1.115 -6.214 83 HG12 VAL 10 2HG1 VAL 10 2.047 1.302 -6.699 84 HG13 VAL 10 3HG1 VAL 10 1.631 0.928 -4.992 85 HG21 VAL 10 3HG2 VAL 10 0.117 4.314 -4.344 86 HG22 VAL 10 1HG2 VAL 10 -0.783 2.848 -4.859 87 HG23 VAL 10 2HG2 VAL 10 0.478 2.727 -3.585 88 H LYS 11 H LYS 11 4.814 2.072 -5.015 89 HA LYS 11 HA LYS 11 5.647 2.925 -7.710 90 HB2 LYS 11 2HB LYS 11 7.231 1.846 -5.329 91 HB3 LYS 11 3HB LYS 11 7.919 2.221 -6.914 92 HG2 LYS 11 2HG LYS 11 7.219 4.614 -6.632 93 HG3 LYS 11 3HG LYS 11 6.583 4.226 -5.028 94 HD2 LYS 11 2HD LYS 11 8.877 3.432 -4.341 95 HD3 LYS 11 3HD LYS 11 9.495 3.903 -5.929 96 HE2 LYS 11 2HE LYS 11 8.708 6.267 -5.487 97 HE3 LYS 11 3HE LYS 11 8.211 5.766 -3.865 98 HZ1 LYS 11 3HZ LYS 11 10.933 5.886 -4.956 99 HZ2 LYS 11 1HZ LYS 11 10.335 6.627 -3.630 100 HZ3 LYS 11 2HZ LYS 11 10.599 5.016 -3.615 101 H PHE 12 H PHE 12 5.029 1.382 -9.243 102 HA PHE 12 HA PHE 12 5.944 -1.351 -8.640 103 HB2 PHE 12 2HB PHE 12 4.239 -0.172 -10.885 104 HB3 PHE 12 3HB PHE 12 4.841 -1.835 -10.885 105 HD1 PHE 12 HD1 PHE 12 4.016 -3.473 -9.218 106 HD2 PHE 12 HD2 PHE 12 2.421 0.510 -9.443 107 HE1 PHE 12 HE1 PHE 12 2.056 -4.181 -7.883 108 HE2 PHE 12 HE2 PHE 12 0.465 -0.199 -8.101 109 HZ PHE 12 HZ PHE 12 0.276 -2.545 -7.322 110 HA PRO 13 HA PRO 13 9.599 -0.937 -11.059 111 HB2 PRO 13 2HB PRO 13 9.508 -3.304 -12.574 112 HB3 PRO 13 3HB PRO 13 9.979 -3.286 -10.869 113 HG2 PRO 13 2HG PRO 13 7.269 -3.899 -12.093 114 HG3 PRO 13 3HG PRO 13 8.128 -4.761 -10.810 115 HD2 PRO 13 2HD PRO 13 6.141 -3.052 -10.164 116 HD3 PRO 13 3HD PRO 13 7.597 -3.107 -9.161 117 H SER 14 H SER 14 6.498 -1.298 -12.725 118 HA SER 14 HA SER 14 7.832 -0.281 -15.159 119 HB2 SER 14 2HB SER 14 6.081 -1.439 -16.422 120 HB3 SER 14 3HB SER 14 6.990 -2.581 -15.423 121 HG SER 14 HG SER 14 4.704 -2.927 -15.306 122 H LYS 15 H LYS 15 5.663 0.442 -12.575 123 HA LYS 15 HA LYS 15 4.624 2.728 -14.030 124 HB2 LYS 15 2HB LYS 15 3.023 0.878 -14.539 125 HB3 LYS 15 3HB LYS 15 2.797 0.605 -12.807 126 HG2 LYS 15 2HG LYS 15 1.802 2.832 -12.528 127 HG3 LYS 15 3HG LYS 15 2.163 3.250 -14.208 128 HD2 LYS 15 2HD LYS 15 0.684 1.367 -14.979 129 HD3 LYS 15 3HD LYS 15 0.301 0.993 -13.293 130 HE2 LYS 15 2HE LYS 15 -0.607 3.323 -13.004 131 HE3 LYS 15 3HE LYS 15 -0.270 3.650 -14.709 132 HZ1 LYS 15 3HZ LYS 15 -2.093 1.558 -13.707 133 HZ2 LYS 15 1HZ LYS 15 -2.542 2.981 -14.370 134 HZ3 LYS 15 2HZ LYS 15 -1.781 1.859 -15.281 135 H GLN 16 H GLN 16 3.857 4.413 -12.596 136 HA GLN 16 HA GLN 16 3.780 3.701 -9.752 137 HB2 GLN 16 2HB GLN 16 5.239 6.100 -10.969 138 HB3 GLN 16 3HB GLN 16 4.905 5.897 -9.244 139 HG2 GLN 16 2HG GLN 16 6.252 3.768 -9.277 140 HG3 GLN 16 3HG GLN 16 6.647 4.079 -10.973 141 HE21 GLN 16 1HE2 GLN 16 8.832 3.877 -9.695 142 HE22 GLN 16 2HE2 GLN 16 9.544 5.380 -9.211 143 H PHE 17 H PHE 17 2.303 5.017 -8.500 144 HA PHE 17 HA PHE 17 1.027 7.277 -9.683 145 HB2 PHE 17 2HB PHE 17 -1.260 6.313 -9.718 146 HB3 PHE 17 3HB PHE 17 -0.201 5.579 -10.930 147 HD1 PHE 17 HD1 PHE 17 -1.973 5.044 -7.730 148 HD2 PHE 17 HD2 PHE 17 0.483 3.253 -10.766 149 HE1 PHE 17 HE1 PHE 17 -2.506 2.797 -6.837 150 HE2 PHE 17 HE2 PHE 17 -0.051 1.007 -9.873 151 HZ PHE 17 HZ PHE 17 -1.548 0.775 -7.908 152 H THR 18 H THR 18 -0.805 8.085 -8.158 153 HA THR 18 HA THR 18 0.125 7.482 -5.439 154 HB THR 18 HB THR 18 -1.086 10.046 -6.602 155 HG1 THR 18 HG1 THR 18 1.088 10.859 -6.150 156 HG21 THR 18 3HG2 THR 18 -0.004 9.426 -3.809 157 HG22 THR 18 1HG2 THR 18 -0.538 11.037 -4.397 158 HG23 THR 18 2HG2 THR 18 -1.725 9.698 -4.243 159 H VAL 19 H VAL 19 -1.419 7.117 -3.773 160 HA VAL 19 HA VAL 19 -4.216 7.130 -4.678 161 HB VAL 19 HB VAL 19 -4.584 5.180 -3.156 162 HG11 VAL 19 1HG1 VAL 19 -3.508 3.482 -4.606 163 HG12 VAL 19 2HG1 VAL 19 -4.223 4.823 -5.564 164 HG13 VAL 19 3HG1 VAL 19 -2.448 4.754 -5.300 165 HG21 VAL 19 3HG2 VAL 19 -2.694 5.544 -1.627 166 HG22 VAL 19 1HG2 VAL 19 -2.630 3.897 -2.341 167 HG23 VAL 19 2HG2 VAL 19 -1.536 5.183 -2.952 168 H GLU 20 H GLU 20 -5.830 7.509 -2.924 169 HA GLU 20 HA GLU 20 -4.625 9.213 -0.838 170 HB2 GLU 20 2HB GLU 20 -6.058 10.348 -2.536 171 HB3 GLU 20 3HB GLU 20 -7.399 9.273 -2.118 172 HG2 GLU 20 2HG GLU 20 -7.474 10.191 0.170 173 HG3 GLU 20 3HG GLU 20 -6.057 11.198 -0.157 174 H VAL 21 H VAL 21 -4.828 8.572 1.271 175 HA VAL 21 HA VAL 21 -7.106 6.854 1.917 176 HB VAL 21 HB VAL 21 -5.625 5.488 3.397 177 HG11 VAL 21 1HG1 VAL 21 -4.561 4.164 1.597 178 HG12 VAL 21 2HG1 VAL 21 -6.227 4.671 1.159 179 HG13 VAL 21 3HG1 VAL 21 -4.814 5.525 0.453 180 HG21 VAL 21 3HG2 VAL 21 -3.817 7.122 3.714 181 HG22 VAL 21 1HG2 VAL 21 -3.174 5.575 3.067 182 HG23 VAL 21 2HG2 VAL 21 -3.375 6.989 1.978 183 H ASP 22 H ASP 22 -7.309 6.680 4.455 184 HA ASP 22 HA ASP 22 -6.874 9.375 5.516 185 HB2 ASP 22 2HB ASP 22 -9.152 8.174 5.499 186 HB3 ASP 22 3HB ASP 22 -8.480 7.075 6.711 187 H ARG 23 H ARG 23 -5.966 9.692 7.678 188 HA ARG 23 HA ARG 23 -3.672 8.128 8.100 189 HB2 ARG 23 2HB ARG 23 -5.058 10.196 9.819 190 HB3 ARG 23 3HB ARG 23 -3.538 9.410 10.265 191 HG2 ARG 23 2HG ARG 23 -2.466 10.287 8.216 192 HG3 ARG 23 3HG ARG 23 -3.989 11.043 7.730 193 HD2 ARG 23 2HD ARG 23 -3.918 12.359 9.866 194 HD3 ARG 23 3HD ARG 23 -2.301 11.702 10.147 195 HE ARG 23 HE ARG 23 -2.236 12.834 7.596 196 HH11 ARG 23 1HH1 ARG 23 -2.894 13.977 10.855 197 HH12 ARG 23 2HH1 ARG 23 -2.265 15.562 10.547 198 HH21 ARG 23 1HH2 ARG 23 -1.450 14.872 7.214 199 HH22 ARG 23 2HH2 ARG 23 -1.437 16.077 8.458 200 H THR 24 H THR 24 -7.011 7.924 9.412 201 HA THR 24 HA THR 24 -6.100 6.294 11.616 202 HB THR 24 HB THR 24 -8.500 6.280 12.263 203 HG1 THR 24 HG1 THR 24 -8.874 7.931 9.893 204 HG21 THR 24 3HG2 THR 24 -7.468 9.039 11.440 205 HG22 THR 24 1HG2 THR 24 -8.754 8.713 12.651 206 HG23 THR 24 2HG2 THR 24 -7.071 8.168 12.960 207 H GLU 25 H GLU 25 -6.720 5.713 8.330 208 HA GLU 25 HA GLU 25 -8.244 3.281 8.679 209 HB2 GLU 25 2HB GLU 25 -6.968 4.748 6.336 210 HB3 GLU 25 3HB GLU 25 -7.614 3.112 6.151 211 HG2 GLU 25 2HG GLU 25 -9.260 5.462 7.204 212 HG3 GLU 25 3HG GLU 25 -9.188 5.004 5.497 213 H THR 26 H THR 26 -7.433 1.139 7.887 214 HA THR 26 HA THR 26 -4.729 0.761 8.841 215 HB THR 26 HB THR 26 -5.264 -1.648 8.664 216 HG1 THR 26 HG1 THR 26 -7.557 -2.145 8.041 217 HG21 THR 26 3HG2 THR 26 -7.530 -0.014 9.910 218 HG22 THR 26 1HG2 THR 26 -7.136 -1.725 10.287 219 HG23 THR 26 2HG2 THR 26 -5.965 -0.424 10.690 220 H VAL 27 H VAL 27 -3.441 -1.077 7.508 221 HA VAL 27 HA VAL 27 -2.773 0.180 5.088 222 HB VAL 27 HB VAL 27 -1.264 -1.787 4.775 223 HG11 VAL 27 1HG1 VAL 27 0.089 -1.442 6.820 224 HG12 VAL 27 2HG1 VAL 27 -0.551 0.106 6.173 225 HG13 VAL 27 3HG1 VAL 27 -1.316 -0.652 7.610 226 HG21 VAL 27 3HG2 VAL 27 -2.748 -3.536 5.658 227 HG22 VAL 27 1HG2 VAL 27 -1.174 -3.537 6.524 228 HG23 VAL 27 2HG2 VAL 27 -2.627 -2.825 7.303 229 H SER 28 H SER 28 -5.111 -2.362 5.915 230 HA SER 28 HA SER 28 -5.160 -3.659 3.399 231 HB2 SER 28 2HB SER 28 -7.178 -4.671 4.219 232 HB3 SER 28 3HB SER 28 -6.046 -4.552 5.574 233 HG SER 28 HG SER 28 -7.163 -2.626 6.256 234 H SER 29 H SER 29 -6.706 -0.667 4.666 235 HA SER 29 HA SER 29 -8.439 -0.344 2.422 236 HB2 SER 29 2HB SER 29 -7.264 1.590 4.469 237 HB3 SER 29 3HB SER 29 -8.467 2.043 3.255 238 HG SER 29 HG SER 29 -9.271 1.418 5.433 239 H LEU 30 H LEU 30 -5.053 0.736 3.210 240 HA LEU 30 HA LEU 30 -4.648 2.167 0.824 241 HB2 LEU 30 2HB LEU 30 -3.157 2.278 2.786 242 HB3 LEU 30 3HB LEU 30 -2.748 0.567 2.609 243 HG LEU 30 HG LEU 30 -1.667 1.056 0.402 244 HD11 LEU 30 1HD1 LEU 30 -1.281 3.405 -0.248 245 HD12 LEU 30 2HD1 LEU 30 -3.032 3.007 -0.222 246 HD13 LEU 30 3HD1 LEU 30 -2.306 3.954 1.120 247 HD21 LEU 30 3HD2 LEU 30 -0.356 1.047 2.493 248 HD22 LEU 30 1HD2 LEU 30 0.275 2.268 1.338 249 HD23 LEU 30 2HD2 LEU 30 -0.724 2.788 2.737 250 H LYS 31 H LYS 31 -4.328 -1.366 1.616 251 HA LYS 31 HA LYS 31 -3.254 -2.067 -0.903 252 HB2 LYS 31 2HB LYS 31 -4.820 -3.613 1.212 253 HB3 LYS 31 3HB LYS 31 -4.133 -4.364 -0.234 254 HG2 LYS 31 2HG LYS 31 -1.854 -3.712 0.468 255 HG3 LYS 31 3HG LYS 31 -2.505 -2.854 1.871 256 HD2 LYS 31 2HD LYS 31 -3.525 -5.044 2.666 257 HD3 LYS 31 3HD LYS 31 -2.715 -5.862 1.323 258 HE2 LYS 31 2HE LYS 31 -0.500 -5.001 2.180 259 HE3 LYS 31 3HE LYS 31 -1.341 -4.278 3.558 260 HZ1 LYS 31 3HZ LYS 31 -1.305 -7.156 2.908 261 HZ2 LYS 31 1HZ LYS 31 -0.451 -6.433 4.098 262 HZ3 LYS 31 2HZ LYS 31 -2.081 -6.488 4.180 263 H ASP 32 H ASP 32 -6.641 -1.710 0.348 264 HA ASP 32 HA ASP 32 -7.946 -2.797 -1.866 265 HB2 ASP 32 2HB ASP 32 -8.963 -2.163 0.346 266 HB3 ASP 32 3HB ASP 32 -8.780 -0.457 -0.085 267 H LYS 33 H LYS 33 -6.698 0.572 -1.259 268 HA LYS 33 HA LYS 33 -7.770 1.691 -3.594 269 HB2 LYS 33 2HB LYS 33 -5.327 2.355 -1.891 270 HB3 LYS 33 3HB LYS 33 -5.853 3.354 -3.252 271 HG2 LYS 33 2HG LYS 33 -7.547 2.708 -0.788 272 HG3 LYS 33 3HG LYS 33 -6.644 4.207 -1.041 273 HD2 LYS 33 2HD LYS 33 -7.976 4.679 -3.096 274 HD3 LYS 33 3HD LYS 33 -8.862 3.163 -2.881 275 HE2 LYS 33 2HE LYS 33 -9.674 3.977 -0.645 276 HE3 LYS 33 3HE LYS 33 -8.823 5.505 -0.906 277 HZ1 LYS 33 3HZ LYS 33 -10.986 4.450 -2.613 278 HZ2 LYS 33 1HZ LYS 33 -11.129 5.660 -1.527 279 HZ3 LYS 33 2HZ LYS 33 -10.200 5.860 -2.855 280 H ILE 34 H ILE 34 -4.582 0.036 -2.958 281 HA ILE 34 HA ILE 34 -3.604 0.346 -5.555 282 HB ILE 34 HB ILE 34 -3.171 -1.816 -3.436 283 HG12 ILE 34 2HG1 ILE 34 -1.318 0.422 -4.362 284 HG13 ILE 34 3HG1 ILE 34 -2.470 0.622 -3.034 285 HG21 ILE 34 1HG2 ILE 34 -1.178 -2.482 -4.742 286 HG22 ILE 34 2HG2 ILE 34 -2.698 -2.750 -5.660 287 HG23 ILE 34 3HG2 ILE 34 -1.654 -1.340 -6.044 288 HD11 ILE 34 3HD1 ILE 34 -0.222 -1.438 -3.149 289 HD12 ILE 34 1HD1 ILE 34 -0.231 0.080 -2.190 290 HD13 ILE 34 2HD1 ILE 34 -1.391 -1.236 -1.801 291 H HIS 35 H HIS 35 -5.820 -2.121 -4.076 292 HA HIS 35 HA HIS 35 -5.760 -3.881 -6.279 293 HB2 HIS 35 2HB HIS 35 -6.505 -4.601 -4.071 294 HB3 HIS 35 3HB HIS 35 -7.794 -3.390 -4.053 295 HD2 HIS 35 HD2 HIS 35 -10.200 -4.412 -4.849 296 HE1 HIS 35 HE1 HIS 35 -8.721 -7.743 -7.093 297 H ILE 36 H ILE 36 -7.716 -0.941 -5.514 298 HA ILE 36 HA ILE 36 -9.670 -1.373 -7.472 299 HB ILE 36 HB ILE 36 -8.574 1.138 -6.123 300 HG12 ILE 36 2HG1 ILE 36 -11.284 -0.233 -5.844 301 HG13 ILE 36 3HG1 ILE 36 -9.891 -0.650 -4.836 302 HG21 ILE 36 1HG2 ILE 36 -10.530 2.338 -7.046 303 HG22 ILE 36 2HG2 ILE 36 -9.426 1.764 -8.341 304 HG23 ILE 36 3HG2 ILE 36 -10.959 0.887 -8.013 305 HD11 ILE 36 3HD1 ILE 36 -11.185 2.106 -5.036 306 HD12 ILE 36 1HD1 ILE 36 -11.371 0.934 -3.688 307 HD13 ILE 36 2HD1 ILE 36 -9.771 1.683 -4.013 308 H VAL 37 H VAL 37 -6.443 0.307 -7.564 309 HA VAL 37 HA VAL 37 -6.844 1.221 -10.232 310 HB VAL 37 HB VAL 37 -4.352 0.959 -8.475 311 HG11 VAL 37 1HG1 VAL 37 -3.257 2.463 -10.104 312 HG12 VAL 37 2HG1 VAL 37 -3.726 0.897 -10.848 313 HG13 VAL 37 3HG1 VAL 37 -4.707 2.369 -11.159 314 HG21 VAL 37 3HG2 VAL 37 -6.025 2.540 -7.626 315 HG22 VAL 37 1HG2 VAL 37 -4.581 3.409 -8.248 316 HG23 VAL 37 2HG2 VAL 37 -6.087 3.355 -9.225 317 H GLU 38 H GLU 38 -5.274 -1.652 -8.679 318 HA GLU 38 HA GLU 38 -4.145 -2.417 -11.262 319 HB2 GLU 38 2HB GLU 38 -3.880 -3.577 -8.445 320 HB3 GLU 38 3HB GLU 38 -3.065 -4.219 -9.877 321 HG2 GLU 38 2HG GLU 38 -2.672 -1.425 -8.695 322 HG3 GLU 38 3HG GLU 38 -1.561 -2.790 -8.526 323 H ASN 39 H ASN 39 -4.183 -5.079 -11.430 324 HA ASN 39 HA ASN 39 -7.038 -5.774 -11.205 325 HB2 ASN 39 2HB ASN 39 -4.979 -6.610 -13.282 326 HB3 ASN 39 3HB ASN 39 -6.606 -7.290 -13.144 327 HD21 ASN 39 1HD2 ASN 39 -5.403 -5.893 -15.353 328 HD22 ASN 39 2HD2 ASN 39 -6.464 -4.569 -15.704 329 H THR 40 H THR 40 -4.668 -6.172 -9.241 330 HA THR 40 HA THR 40 -4.628 -9.109 -9.305 331 HB THR 40 HB THR 40 -2.634 -7.116 -8.109 332 HG1 THR 40 HG1 THR 40 -2.321 -9.095 -10.220 333 HG21 THR 40 3HG2 THR 40 -2.611 -10.175 -8.145 334 HG22 THR 40 1HG2 THR 40 -1.278 -9.120 -7.566 335 HG23 THR 40 2HG2 THR 40 -2.853 -9.134 -6.702 336 HA PRO 41 HA PRO 41 -7.121 -8.972 -5.597 337 HB2 PRO 41 2HB PRO 41 -5.680 -11.626 -5.146 338 HB3 PRO 41 3HB PRO 41 -7.417 -11.299 -5.100 339 HG2 PRO 41 2HG PRO 41 -6.388 -12.560 -7.209 340 HG3 PRO 41 3HG PRO 41 -7.623 -11.320 -7.462 341 HD2 PRO 41 2HD PRO 41 -4.616 -11.124 -7.865 342 HD3 PRO 41 3HD PRO 41 -5.916 -10.449 -8.856 343 H ILE 42 H ILE 42 -6.936 -8.462 -3.453 344 HA ILE 42 HA ILE 42 -4.511 -7.341 -2.695 345 HB ILE 42 HB ILE 42 -6.977 -8.187 -1.100 346 HG12 ILE 42 2HG1 ILE 42 -5.960 -5.424 -1.906 347 HG13 ILE 42 3HG1 ILE 42 -7.127 -6.353 -2.856 348 HG21 ILE 42 1HG2 ILE 42 -6.101 -6.786 0.740 349 HG22 ILE 42 2HG2 ILE 42 -5.031 -8.188 0.400 350 HG23 ILE 42 3HG2 ILE 42 -4.573 -6.548 -0.173 351 HD11 ILE 42 3HD1 ILE 42 -7.510 -5.427 0.025 352 HD12 ILE 42 1HD1 ILE 42 -8.256 -4.702 -1.439 353 HD13 ILE 42 2HD1 ILE 42 -8.694 -6.371 -0.940 354 H LYS 43 H LYS 43 -5.907 -10.621 -2.096 355 HA LYS 43 HA LYS 43 -4.100 -11.298 -0.021 356 HB2 LYS 43 2HB LYS 43 -5.802 -12.947 -1.948 357 HB3 LYS 43 3HB LYS 43 -4.852 -13.656 -0.636 358 HG2 LYS 43 2HG LYS 43 -6.151 -12.338 1.030 359 HG3 LYS 43 3HG LYS 43 -7.092 -11.604 -0.276 360 HD2 LYS 43 2HD LYS 43 -7.913 -13.858 -0.966 361 HD3 LYS 43 3HD LYS 43 -6.950 -14.610 0.313 362 HE2 LYS 43 2HE LYS 43 -8.224 -13.326 2.036 363 HE3 LYS 43 3HE LYS 43 -9.177 -12.552 0.762 364 HZ1 LYS 43 3HZ LYS 43 -9.107 -15.451 1.310 365 HZ2 LYS 43 1HZ LYS 43 -10.321 -14.433 1.703 366 HZ3 LYS 43 2HZ LYS 43 -9.986 -14.736 0.134 367 H ARG 44 H ARG 44 -3.746 -11.062 -3.519 368 HA ARG 44 HA ARG 44 -1.436 -12.862 -3.423 369 HB2 ARG 44 2HB ARG 44 -2.880 -11.647 -5.793 370 HB3 ARG 44 3HB ARG 44 -1.478 -12.721 -5.874 371 HG2 ARG 44 2HG ARG 44 -4.170 -13.463 -4.647 372 HG3 ARG 44 3HG ARG 44 -3.674 -13.845 -6.301 373 HD2 ARG 44 2HD ARG 44 -1.814 -15.181 -5.456 374 HD3 ARG 44 3HD ARG 44 -2.255 -14.768 -3.794 375 HE ARG 44 HE ARG 44 -4.498 -15.956 -5.068 376 HH11 ARG 44 1HH1 ARG 44 -1.287 -16.844 -3.944 377 HH12 ARG 44 2HH1 ARG 44 -1.738 -18.480 -3.595 378 HH21 ARG 44 1HH2 ARG 44 -5.055 -18.058 -4.630 379 HH22 ARG 44 2HH2 ARG 44 -3.899 -19.178 -3.989 380 H MET 45 H MET 45 -2.404 -9.435 -4.056 381 HA MET 45 HA MET 45 0.122 -8.607 -5.003 382 HB2 MET 45 2HB MET 45 -1.932 -7.326 -5.365 383 HB3 MET 45 3HB MET 45 -2.170 -7.136 -3.622 384 HG2 MET 45 2HG MET 45 0.376 -6.107 -4.900 385 HG3 MET 45 3HG MET 45 -1.124 -5.187 -5.077 386 HE1 MET 45 3HE MET 45 -2.458 -5.181 -1.636 387 HE2 MET 45 1HE MET 45 -1.952 -3.536 -2.151 388 HE3 MET 45 2HE MET 45 -2.633 -4.684 -3.353 389 H GLN 46 H GLN 46 1.987 -7.918 -3.961 390 HA GLN 46 HA GLN 46 1.941 -8.193 -1.029 391 HB2 GLN 46 2HB GLN 46 4.315 -8.229 -2.956 392 HB3 GLN 46 3HB GLN 46 4.355 -8.577 -1.223 393 HG2 GLN 46 2HG GLN 46 2.862 -10.228 -3.314 394 HG3 GLN 46 3HG GLN 46 4.450 -10.623 -2.644 395 HE21 GLN 46 1HE2 GLN 46 1.313 -11.459 -2.453 396 HE22 GLN 46 2HE2 GLN 46 1.204 -11.968 -0.801 397 H LEU 47 H LEU 47 2.710 -6.496 0.301 398 HA LEU 47 HA LEU 47 3.152 -3.962 -1.151 399 HB2 LEU 47 2HB LEU 47 0.851 -3.998 -0.388 400 HB3 LEU 47 3HB LEU 47 1.322 -4.601 1.207 401 HG LEU 47 HG LEU 47 2.462 -2.442 1.702 402 HD11 LEU 47 1HD1 LEU 47 2.169 -0.532 0.170 403 HD12 LEU 47 2HD1 LEU 47 3.108 -1.856 -0.599 404 HD13 LEU 47 3HD1 LEU 47 1.382 -1.612 -1.030 405 HD21 LEU 47 3HD2 LEU 47 0.094 -2.781 2.305 406 HD22 LEU 47 1HD2 LEU 47 0.410 -1.071 1.854 407 HD23 LEU 47 2HD2 LEU 47 -0.410 -2.170 0.693 408 H TYR 48 H TYR 48 5.169 -3.200 -0.678 409 HA TYR 48 HA TYR 48 6.145 -3.665 2.069 410 HB2 TYR 48 2HB TYR 48 7.565 -4.789 0.472 411 HB3 TYR 48 3HB TYR 48 7.580 -3.389 -0.608 412 HD1 TYR 48 HD1 TYR 48 8.724 -4.599 2.742 413 HD2 TYR 48 HD2 TYR 48 9.191 -1.653 -0.343 414 HE1 TYR 48 HE1 TYR 48 10.776 -3.771 3.850 415 HE2 TYR 48 HE2 TYR 48 11.244 -0.821 0.757 416 HH TYR 48 HH TYR 48 12.778 -1.210 2.343 417 H TYR 49 H TYR 49 6.749 -1.886 3.311 418 HA TYR 49 HA TYR 49 6.645 0.724 1.937 419 HB2 TYR 49 2HB TYR 49 4.862 0.590 3.547 420 HB3 TYR 49 3HB TYR 49 5.913 -0.146 4.765 421 HD1 TYR 49 HD1 TYR 49 5.907 2.977 2.633 422 HD2 TYR 49 HD2 TYR 49 6.547 1.245 6.507 423 HE1 TYR 49 HE1 TYR 49 6.414 5.221 3.548 424 HE2 TYR 49 HE2 TYR 49 7.055 3.485 7.430 425 HH TYR 49 HH TYR 49 6.392 5.940 6.782 426 H SER 50 H SER 50 8.450 2.056 2.058 427 HA SER 50 HA SER 50 10.938 1.495 2.480 428 HB2 SER 50 2HB SER 50 10.089 3.779 2.125 429 HB3 SER 50 3HB SER 50 9.512 3.852 3.795 430 HG SER 50 HG SER 50 11.565 4.882 3.521 431 H GLY 51 H GLY 51 11.735 -0.111 3.839 432 HA2 GLY 51 2HA GLY 51 12.756 -0.532 5.896 433 HA3 GLY 51 3HA GLY 51 11.575 0.505 6.706 434 H ILE 52 H ILE 52 9.181 -0.329 6.645 435 HA ILE 52 HA ILE 52 9.405 -3.134 7.427 436 HB ILE 52 HB ILE 52 7.317 -0.988 8.062 437 HG12 ILE 52 2HG1 ILE 52 9.357 -2.357 9.876 438 HG13 ILE 52 3HG1 ILE 52 9.618 -0.781 9.117 439 HG21 ILE 52 1HG2 ILE 52 6.392 -2.639 9.655 440 HG22 ILE 52 2HG2 ILE 52 6.289 -3.217 7.957 441 HG23 ILE 52 3HG2 ILE 52 7.556 -3.867 9.052 442 HD11 ILE 52 3HD1 ILE 52 7.370 -1.471 11.064 443 HD12 ILE 52 1HD1 ILE 52 8.854 -0.529 11.435 444 HD13 ILE 52 2HD1 ILE 52 7.636 0.129 10.292 445 H GLU 53 H GLU 53 8.342 -4.757 6.294 446 HA GLU 53 HA GLU 53 6.718 -4.078 4.028 447 HB2 GLU 53 2HB GLU 53 8.212 -6.080 4.145 448 HB3 GLU 53 3HB GLU 53 7.222 -6.737 5.455 449 HG2 GLU 53 2HG GLU 53 5.262 -6.862 3.932 450 HG3 GLU 53 3HG GLU 53 6.221 -6.162 2.621 451 H LEU 54 H LEU 54 4.453 -4.194 3.805 452 HA LEU 54 HA LEU 54 3.119 -3.876 6.391 453 HB2 LEU 54 2HB LEU 54 2.185 -3.236 3.552 454 HB3 LEU 54 3HB LEU 54 1.369 -2.778 5.053 455 HG LEU 54 HG LEU 54 4.092 -1.762 4.086 456 HD11 LEU 54 1HD1 LEU 54 2.915 0.403 3.954 457 HD12 LEU 54 2HD1 LEU 54 2.155 -0.826 2.886 458 HD13 LEU 54 3HD1 LEU 54 1.385 -0.396 4.451 459 HD21 LEU 54 3HD2 LEU 54 4.044 -2.040 6.538 460 HD22 LEU 54 1HD2 LEU 54 4.008 -0.303 6.082 461 HD23 LEU 54 2HD2 LEU 54 2.502 -1.122 6.618 462 H ALA 55 H ALA 55 3.158 -6.322 6.751 463 HA ALA 55 HA ALA 55 1.534 -7.791 4.798 464 HB1 ALA 55 3HB ALA 55 3.425 -8.712 7.019 465 HB2 ALA 55 1HB ALA 55 2.553 -9.786 5.873 466 HB3 ALA 55 2HB ALA 55 3.799 -8.644 5.264 467 H ASP 56 H ASP 56 1.298 -6.324 7.939 468 HA ASP 56 HA ASP 56 -0.748 -8.263 8.766 469 HB2 ASP 56 2HB ASP 56 0.778 -6.069 10.245 470 HB3 ASP 56 3HB ASP 56 -0.567 -6.971 10.954 471 H ASP 57 H ASP 57 -2.863 -7.765 8.350 472 HA ASP 57 HA ASP 57 -3.461 -5.188 7.248 473 HB2 ASP 57 2HB ASP 57 -5.075 -7.697 7.870 474 HB3 ASP 57 3HB ASP 57 -5.830 -6.223 7.250 475 H TYR 58 H TYR 58 -3.750 -6.746 10.448 476 HA TYR 58 HA TYR 58 -5.838 -4.980 11.331 477 HB2 TYR 58 2HB TYR 58 -5.462 -6.078 13.507 478 HB3 TYR 58 3HB TYR 58 -5.645 -7.265 12.208 479 HD1 TYR 58 HD1 TYR 58 -3.293 -5.750 14.620 480 HD2 TYR 58 HD2 TYR 58 -3.750 -8.640 11.481 481 HE1 TYR 58 HE1 TYR 58 -1.143 -6.790 15.271 482 HE2 TYR 58 HE2 TYR 58 -1.601 -9.687 12.127 483 HH TYR 58 HH TYR 58 0.130 -9.654 13.496 484 H ARG 59 H ARG 59 -2.379 -4.711 10.950 485 HA ARG 59 HA ARG 59 -2.183 -2.617 12.940 486 HB2 ARG 59 2HB ARG 59 -0.244 -3.581 10.823 487 HB3 ARG 59 3HB ARG 59 0.082 -2.287 11.983 488 HG2 ARG 59 2HG ARG 59 -0.690 -5.105 12.834 489 HG3 ARG 59 3HG ARG 59 0.983 -4.621 12.531 490 HD2 ARG 59 2HD ARG 59 0.743 -2.842 14.237 491 HD3 ARG 59 3HD ARG 59 -0.896 -3.417 14.571 492 HE ARG 59 HE ARG 59 0.909 -5.591 14.848 493 HH11 ARG 59 1HH1 ARG 59 0.122 -2.560 16.441 494 HH12 ARG 59 2HH1 ARG 59 0.585 -3.131 18.009 495 HH21 ARG 59 1HH2 ARG 59 1.507 -6.307 16.860 496 HH22 ARG 59 2HH2 ARG 59 1.382 -5.283 18.251 497 H ASN 60 H ASN 60 -2.136 -0.368 12.540 498 HA ASN 60 HA ASN 60 -3.545 0.279 10.062 499 HB2 ASN 60 2HB ASN 60 -4.250 2.287 11.192 500 HB3 ASN 60 3HB ASN 60 -4.584 0.882 12.213 501 HD21 ASN 60 1HD2 ASN 60 -4.283 1.321 14.243 502 HD22 ASN 60 2HD2 ASN 60 -2.963 2.211 14.926 503 H LEU 61 H LEU 61 -3.044 2.611 9.177 504 HA LEU 61 HA LEU 61 -0.460 2.457 8.136 505 HB2 LEU 61 2HB LEU 61 -2.476 4.751 8.280 506 HB3 LEU 61 3HB LEU 61 -0.994 4.800 7.316 507 HG LEU 61 HG LEU 61 -3.192 2.700 6.939 508 HD11 LEU 61 1HD1 LEU 61 -3.841 4.017 4.957 509 HD12 LEU 61 2HD1 LEU 61 -4.051 4.959 6.472 510 HD13 LEU 61 3HD1 LEU 61 -2.645 5.281 5.402 511 HD21 LEU 61 3HD2 LEU 61 -0.936 2.025 6.192 512 HD22 LEU 61 1HD2 LEU 61 -2.022 2.315 4.792 513 HD23 LEU 61 2HD2 LEU 61 -0.791 3.543 5.242 514 H ASN 62 H ASN 62 -1.760 4.263 10.981 515 HA ASN 62 HA ASN 62 0.399 6.058 11.162 516 HB2 ASN 62 2HB ASN 62 -1.681 5.065 13.130 517 HB3 ASN 62 3HB ASN 62 -0.424 6.218 13.595 518 HD21 ASN 62 1HD2 ASN 62 -3.132 6.762 13.724 519 HD22 ASN 62 2HD2 ASN 62 -3.464 8.077 12.647 520 H GLU 63 H GLU 63 -0.138 2.719 12.430 521 HA GLU 63 HA GLU 63 1.948 2.812 14.333 522 HB2 GLU 63 2HB GLU 63 0.481 0.570 12.881 523 HB3 GLU 63 3HB GLU 63 1.762 0.249 14.058 524 HG2 GLU 63 2HG GLU 63 0.474 1.392 15.826 525 HG3 GLU 63 3HG GLU 63 -0.780 1.839 14.661 526 H TYR 64 H TYR 64 1.902 2.347 10.801 527 HA TYR 64 HA TYR 64 4.511 1.055 10.850 528 HB2 TYR 64 2HB TYR 64 2.455 1.739 8.710 529 HB3 TYR 64 3HB TYR 64 4.094 1.235 8.278 530 HD1 TYR 64 HD1 TYR 64 4.925 -1.007 9.464 531 HD2 TYR 64 HD2 TYR 64 0.810 0.102 8.962 532 HE1 TYR 64 HE1 TYR 64 4.261 -3.379 9.699 533 HE2 TYR 64 HE2 TYR 64 0.137 -2.268 9.200 534 HH TYR 64 HH TYR 64 2.605 -4.840 9.731 535 H GLY 65 H GLY 65 3.361 4.263 11.045 536 HA2 GLY 65 2HA GLY 65 4.552 6.191 10.927 537 HA3 GLY 65 3HA GLY 65 5.935 5.304 10.272 538 H ILE 66 H ILE 66 2.615 5.150 8.849 539 HA ILE 66 HA ILE 66 3.709 5.917 6.328 540 HB ILE 66 HB ILE 66 0.822 5.440 7.231 541 HG12 ILE 66 2HG1 ILE 66 2.314 3.474 7.491 542 HG13 ILE 66 3HG1 ILE 66 1.070 3.225 6.259 543 HG21 ILE 66 1HG2 ILE 66 0.338 5.177 4.821 544 HG22 ILE 66 2HG2 ILE 66 0.928 6.829 5.209 545 HG23 ILE 66 3HG2 ILE 66 2.030 5.640 4.435 546 HD11 ILE 66 3HD1 ILE 66 3.984 3.962 5.727 547 HD12 ILE 66 1HD1 ILE 66 3.237 2.342 5.520 548 HD13 ILE 66 2HD1 ILE 66 2.721 3.709 4.476 549 H THR 67 H THR 67 4.075 8.039 5.741 550 HA THR 67 HA THR 67 2.529 10.059 7.197 551 HB THR 67 HB THR 67 4.384 11.584 6.736 552 HG1 THR 67 HG1 THR 67 6.275 10.754 5.585 553 HG21 THR 67 3HG2 THR 67 5.405 8.860 7.678 554 HG22 THR 67 1HG2 THR 67 6.209 10.441 7.960 555 HG23 THR 67 2HG2 THR 67 4.606 10.104 8.697 556 H GLU 68 H GLU 68 2.668 12.306 5.714 557 HA GLU 68 HA GLU 68 0.912 11.931 3.589 558 HB2 GLU 68 2HB GLU 68 1.259 14.056 4.824 559 HB3 GLU 68 3HB GLU 68 2.888 14.195 4.150 560 HG2 GLU 68 2HG GLU 68 1.952 14.394 1.864 561 HG3 GLU 68 3HG GLU 68 0.314 14.186 2.498 562 H PHE 69 H PHE 69 4.432 11.529 3.736 563 HA PHE 69 HA PHE 69 4.542 11.672 0.790 564 HB2 PHE 69 2HB PHE 69 6.755 11.967 2.881 565 HB3 PHE 69 3HB PHE 69 6.975 12.055 1.129 566 HD1 PHE 69 HD1 PHE 69 5.797 13.923 -0.158 567 HD2 PHE 69 HD2 PHE 69 6.090 13.867 4.129 568 HE1 PHE 69 HE1 PHE 69 5.331 16.353 -0.094 569 HE2 PHE 69 HE2 PHE 69 5.617 16.297 4.189 570 HZ PHE 69 HZ PHE 69 5.236 17.542 2.082 571 H SER 70 H SER 70 3.646 9.323 2.564 572 HA SER 70 HA SER 70 5.682 7.484 2.935 573 HB2 SER 70 2HB SER 70 3.431 7.234 3.850 574 HB3 SER 70 3HB SER 70 2.736 7.123 2.227 575 HG SER 70 HG SER 70 4.630 5.282 3.393 576 H GLU 71 H GLU 71 6.942 6.244 1.599 577 HA GLU 71 HA GLU 71 6.009 5.957 -1.187 578 HB2 GLU 71 2HB GLU 71 8.815 5.923 0.020 579 HB3 GLU 71 3HB GLU 71 8.450 5.481 -1.653 580 HG2 GLU 71 2HG GLU 71 7.583 7.764 -2.090 581 HG3 GLU 71 3HG GLU 71 7.877 8.215 -0.405 582 H ILE 72 H ILE 72 5.204 3.952 -1.651 583 HA ILE 72 HA ILE 72 6.307 1.719 -0.086 584 HB ILE 72 HB ILE 72 4.068 0.614 -0.468 585 HG12 ILE 72 2HG1 ILE 72 3.191 3.409 -1.335 586 HG13 ILE 72 3HG1 ILE 72 3.471 2.066 -2.451 587 HG21 ILE 72 1HG2 ILE 72 2.866 1.919 1.255 588 HG22 ILE 72 2HG2 ILE 72 4.601 1.704 1.668 589 HG23 ILE 72 3HG2 ILE 72 4.019 3.277 1.026 590 HD11 ILE 72 3HD1 ILE 72 1.418 2.109 -0.194 591 HD12 ILE 72 1HD1 ILE 72 1.083 2.313 -1.946 592 HD13 ILE 72 2HD1 ILE 72 1.703 0.745 -1.327 593 H VAL 73 H VAL 73 6.849 -0.207 -1.224 594 HA VAL 73 HA VAL 73 6.641 0.033 -4.142 595 HB VAL 73 HB VAL 73 8.530 -1.632 -2.401 596 HG11 VAL 73 1HG1 VAL 73 9.654 -2.201 -4.533 597 HG12 VAL 73 2HG1 VAL 73 7.960 -2.797 -4.490 598 HG13 VAL 73 3HG1 VAL 73 8.371 -1.327 -5.437 599 HG21 VAL 73 3HG2 VAL 73 9.060 0.768 -2.384 600 HG22 VAL 73 1HG2 VAL 73 10.286 -0.149 -3.321 601 HG23 VAL 73 2HG2 VAL 73 9.027 0.802 -4.179 602 H VAL 74 H VAL 74 5.447 -1.511 -5.294 603 HA VAL 74 HA VAL 74 4.167 -3.527 -3.578 604 HB VAL 74 HB VAL 74 2.905 -1.872 -5.827 605 HG11 VAL 74 1HG1 VAL 74 0.788 -2.917 -5.085 606 HG12 VAL 74 2HG1 VAL 74 1.969 -4.139 -5.667 607 HG13 VAL 74 3HG1 VAL 74 1.701 -3.918 -3.905 608 HG21 VAL 74 3HG2 VAL 74 3.328 -0.522 -3.818 609 HG22 VAL 74 1HG2 VAL 74 1.571 -0.835 -4.020 610 HG23 VAL 74 2HG2 VAL 74 2.513 -1.758 -2.801 611 H PHE 75 H PHE 75 3.966 -5.618 -4.433 612 HA PHE 75 HA PHE 75 4.927 -5.942 -7.206 613 HB2 PHE 75 2HB PHE 75 5.236 -7.820 -4.811 614 HB3 PHE 75 3HB PHE 75 5.780 -8.153 -6.461 615 HD1 PHE 75 HD1 PHE 75 7.689 -6.908 -7.433 616 HD2 PHE 75 HD2 PHE 75 6.461 -6.323 -3.356 617 HE1 PHE 75 HE1 PHE 75 9.856 -5.823 -6.935 618 HE2 PHE 75 HE2 PHE 75 8.629 -5.233 -2.863 619 HZ PHE 75 HZ PHE 75 10.330 -4.983 -4.649 620 H LEU 76 H LEU 76 3.785 -7.382 -8.569 621 HA LEU 76 HA LEU 76 1.121 -8.069 -7.527 622 HB2 LEU 76 2HB LEU 76 2.165 -7.823 -10.390 623 HB3 LEU 76 3HB LEU 76 0.494 -8.161 -9.920 624 HG LEU 76 HG LEU 76 2.016 -5.575 -9.293 625 HD11 LEU 76 1HD1 LEU 76 0.491 -4.569 -10.952 626 HD12 LEU 76 2HD1 LEU 76 1.519 -5.843 -11.690 627 HD13 LEU 76 3HD1 LEU 76 -0.200 -6.189 -11.303 628 HD21 LEU 76 3HD2 LEU 76 0.334 -6.166 -7.582 629 HD22 LEU 76 1HD2 LEU 76 -0.205 -4.761 -8.563 630 HD23 LEU 76 2HD2 LEU 76 -0.902 -6.388 -8.866 631 H LYS 77 H LYS 77 0.377 -10.186 -7.478 632 HA LYS 77 HA LYS 77 2.166 -12.204 -8.674 633 HB2 LYS 77 2HB LYS 77 0.648 -12.322 -6.023 634 HB3 LYS 77 3HB LYS 77 1.499 -13.683 -6.764 635 HG2 LYS 77 2HG LYS 77 2.798 -11.070 -5.845 636 HG3 LYS 77 3HG LYS 77 2.822 -12.599 -4.957 637 HD2 LYS 77 2HD LYS 77 3.986 -13.690 -6.907 638 HD3 LYS 77 3HD LYS 77 3.999 -12.136 -7.751 639 HE2 LYS 77 2HE LYS 77 5.308 -11.137 -5.848 640 HE3 LYS 77 3HE LYS 77 5.331 -12.717 -5.054 641 HZ1 LYS 77 3HZ LYS 77 6.493 -12.127 -7.701 642 HZ2 LYS 77 1HZ LYS 77 7.329 -12.331 -6.313 643 HZ3 LYS 77 2HZ LYS 77 6.514 -13.586 -6.968 644 H SER 78 H SER 78 0.459 -11.629 -10.504 645 HA SER 78 HA SER 78 -1.260 -13.920 -10.528 646 HB2 SER 78 2HB SER 78 -3.356 -12.783 -10.832 647 HB3 SER 78 3HB SER 78 -2.658 -12.227 -9.305 648 HG SER 78 HG SER 78 -3.522 -10.513 -10.656 649 H ILE 79 H ILE 79 -2.229 -14.251 -12.724 650 HA ILE 79 HA ILE 79 -0.683 -12.760 -14.725 651 HB ILE 79 HB ILE 79 -1.951 -15.546 -14.823 652 HG12 ILE 79 2HG1 ILE 79 0.972 -14.662 -14.949 653 HG13 ILE 79 3HG1 ILE 79 0.174 -15.283 -13.498 654 HG21 ILE 79 1HG2 ILE 79 -0.916 -15.730 -17.061 655 HG22 ILE 79 2HG2 ILE 79 -2.145 -14.422 -16.998 656 HG23 ILE 79 3HG2 ILE 79 -0.396 -14.014 -16.958 657 HD11 ILE 79 3HD1 ILE 79 0.540 -16.803 -16.120 658 HD12 ILE 79 1HD1 ILE 79 1.481 -17.039 -14.609 659 HD13 ILE 79 2HD1 ILE 79 -0.270 -17.434 -14.646 660 H ASN 80 H ASN 80 -3.942 -14.348 -14.170 661 HA ASN 80 HA ASN 80 -5.115 -13.108 -16.415 662 HB2 ASN 80 2HB ASN 80 -6.247 -14.407 -13.916 663 HB3 ASN 80 3HB ASN 80 -7.270 -13.738 -15.194 664 HD21 ASN 80 1HD2 ASN 80 -7.404 -16.366 -14.476 665 HD22 ASN 80 2HD2 ASN 80 -6.888 -17.333 -15.816 666 H ARG 81 H ARG 81 -6.952 -11.488 -16.327 667 HA ARG 81 HA ARG 81 -6.336 -9.472 -14.270 668 HB2 ARG 81 2HB ARG 81 -7.115 -9.059 -17.168 669 HB3 ARG 81 3HB ARG 81 -6.995 -7.781 -15.952 670 HG2 ARG 81 2HG ARG 81 -4.594 -8.269 -15.645 671 HG3 ARG 81 3HG ARG 81 -4.699 -9.593 -16.813 672 HD2 ARG 81 2HD ARG 81 -5.330 -7.996 -18.567 673 HD3 ARG 81 3HD ARG 81 -5.226 -6.672 -17.400 674 HE ARG 81 HE ARG 81 -2.744 -7.974 -17.355 675 HH11 ARG 81 1HH1 ARG 81 -4.693 -6.246 -19.718 676 HH12 ARG 81 2HH1 ARG 81 -3.317 -5.647 -20.583 677 HH21 ARG 81 1HH2 ARG 81 -0.993 -7.206 -18.482 678 HH22 ARG 81 2HH2 ARG 81 -1.194 -6.197 -19.875 679 H ALA 82 H ALA 82 -8.237 -7.852 -13.958 680 HA ALA 82 HA ALA 82 -10.848 -8.900 -14.600 681 HB1 ALA 82 3HB ALA 82 -9.871 -8.749 -11.706 682 HB2 ALA 82 1HB ALA 82 -11.567 -9.029 -12.228 683 HB3 ALA 82 2HB ALA 82 -10.298 -10.242 -12.610 684 H LYS 83 H LYS 83 -12.566 -7.333 -14.141 685 HA LYS 83 HA LYS 83 -11.790 -4.657 -14.408 686 HB2 LYS 83 2HB LYS 83 -13.979 -5.575 -15.105 687 HB3 LYS 83 3HB LYS 83 -14.396 -5.911 -13.419 688 HG2 LYS 83 2HG LYS 83 -14.345 -3.481 -12.904 689 HG3 LYS 83 3HG LYS 83 -13.875 -3.124 -14.571 690 HD2 LYS 83 2HD LYS 83 -16.000 -4.152 -15.397 691 HD3 LYS 83 3HD LYS 83 -16.468 -4.532 -13.734 692 HE2 LYS 83 2HE LYS 83 -16.405 -2.092 -13.164 693 HE3 LYS 83 3HE LYS 83 -15.953 -1.718 -14.833 694 HZ1 LYS 83 3HZ LYS 83 -18.461 -3.034 -14.004 695 HZ2 LYS 83 1HZ LYS 83 -18.309 -1.480 -14.480 696 HZ3 LYS 83 2HZ LYS 83 -18.044 -2.689 -15.544 697 H ASP 84 H ASP 84 -13.394 -6.221 -11.497 698 HA ASP 84 HA ASP 84 -12.498 -4.108 -9.792 699 HB2 ASP 84 2HB ASP 84 -14.571 -5.457 -9.422 700 HB3 ASP 84 3HB ASP 84 -13.580 -6.900 -9.169 Start of MODEL 9 1 H ALA 1 1H ALA 1 -10.982 21.421 2.532 2 HA ALA 1 HA ALA 1 -8.916 21.198 3.663 3 HB1 ALA 1 3HB ALA 1 -11.395 20.600 5.350 4 HB2 ALA 1 1HB ALA 1 -9.838 21.249 5.967 5 HB3 ALA 1 2HB ALA 1 -10.828 22.222 4.828 6 H ALA 2 H ALA 2 -7.296 19.768 4.111 7 HA ALA 2 HA ALA 2 -8.038 16.966 4.473 8 HB1 ALA 2 3HB ALA 2 -5.350 18.364 4.068 9 HB2 ALA 2 1HB ALA 2 -5.605 16.589 4.161 10 HB3 ALA 2 2HB ALA 2 -6.317 17.529 2.806 11 H VAL 3 H VAL 3 -8.460 16.309 6.543 12 HA VAL 3 HA VAL 3 -6.634 17.340 8.603 13 HB VAL 3 HB VAL 3 -9.620 16.714 8.871 14 HG11 VAL 3 1HG1 VAL 3 -9.357 17.506 11.201 15 HG12 VAL 3 2HG1 VAL 3 -8.362 16.047 10.875 16 HG13 VAL 3 3HG1 VAL 3 -7.587 17.666 10.943 17 HG21 VAL 3 3HG2 VAL 3 -9.181 18.858 7.746 18 HG22 VAL 3 1HG2 VAL 3 -9.828 19.125 9.400 19 HG23 VAL 3 2HG2 VAL 3 -8.075 19.342 9.076 20 H ARG 4 H ARG 4 -5.315 15.643 9.212 21 HA ARG 4 HA ARG 4 -4.618 13.613 9.722 22 HB2 ARG 4 2HB ARG 4 -7.533 12.963 10.231 23 HB3 ARG 4 3HB ARG 4 -6.149 11.960 10.685 24 HG2 ARG 4 2HG ARG 4 -5.318 13.733 12.181 25 HG3 ARG 4 3HG ARG 4 -6.639 14.799 11.685 26 HD2 ARG 4 2HD ARG 4 -8.249 13.096 12.563 27 HD3 ARG 4 3HD ARG 4 -6.868 12.182 13.182 28 HE ARG 4 HE ARG 4 -6.675 14.820 14.172 29 HH11 ARG 4 1HH1 ARG 4 -8.817 12.052 14.479 30 HH12 ARG 4 2HH1 ARG 4 -9.271 12.439 16.106 31 HH21 ARG 4 1HH2 ARG 4 -7.275 15.310 16.251 32 HH22 ARG 4 2HH2 ARG 4 -8.387 14.309 17.123 33 H LYS 5 H LYS 5 -5.553 14.373 6.889 34 HA LYS 5 HA LYS 5 -5.883 11.625 5.883 35 HB2 LYS 5 2HB LYS 5 -6.237 14.355 4.559 36 HB3 LYS 5 3HB LYS 5 -6.367 12.808 3.713 37 HG2 LYS 5 2HG LYS 5 -8.280 12.163 5.174 38 HG3 LYS 5 3HG LYS 5 -8.144 13.700 6.038 39 HD2 LYS 5 2HD LYS 5 -8.553 14.932 3.887 40 HD3 LYS 5 3HD LYS 5 -8.722 13.386 3.044 41 HE2 LYS 5 2HE LYS 5 -10.632 12.784 4.560 42 HE3 LYS 5 3HE LYS 5 -10.475 14.351 5.365 43 HZ1 LYS 5 3HZ LYS 5 -11.096 13.962 2.506 44 HZ2 LYS 5 1HZ LYS 5 -12.160 14.395 3.665 45 HZ3 LYS 5 2HZ LYS 5 -10.950 15.409 3.249 46 H ILE 6 H ILE 6 -4.375 10.743 4.380 47 HA ILE 6 HA ILE 6 -1.997 12.380 3.904 48 HB ILE 6 HB ILE 6 -0.571 10.366 4.392 49 HG12 ILE 6 2HG1 ILE 6 -3.132 9.243 5.622 50 HG13 ILE 6 3HG1 ILE 6 -2.424 8.695 4.096 51 HG21 ILE 6 1HG2 ILE 6 -0.689 10.556 6.853 52 HG22 ILE 6 2HG2 ILE 6 -0.826 12.158 6.052 53 HG23 ILE 6 3HG2 ILE 6 -2.291 11.355 6.712 54 HD11 ILE 6 3HD1 ILE 6 -1.084 8.559 6.834 55 HD12 ILE 6 1HD1 ILE 6 -1.827 7.190 5.940 56 HD13 ILE 6 2HD1 ILE 6 -0.365 8.002 5.285 57 H HIS 7 H HIS 7 -0.739 11.692 1.997 58 HA HIS 7 HA HIS 7 -2.256 9.895 0.229 59 HB2 HIS 7 2HB HIS 7 -0.072 11.965 -0.310 60 HB3 HIS 7 3HB HIS 7 -0.722 10.871 -1.538 61 HD2 HIS 7 HD2 HIS 7 -1.710 14.154 0.341 62 HE1 HIS 7 HE1 HIS 7 -4.842 13.197 -2.417 63 H VAL 8 H VAL 8 -1.174 8.129 -0.853 64 HA VAL 8 HA VAL 8 1.495 7.545 0.230 65 HB VAL 8 HB VAL 8 -0.749 5.564 -0.413 66 HG11 VAL 8 1HG1 VAL 8 0.804 3.861 0.489 67 HG12 VAL 8 2HG1 VAL 8 1.473 4.669 -0.968 68 HG13 VAL 8 3HG1 VAL 8 2.075 5.118 0.663 69 HG21 VAL 8 3HG2 VAL 8 -1.143 6.790 1.681 70 HG22 VAL 8 1HG2 VAL 8 -0.701 5.081 2.015 71 HG23 VAL 8 2HG2 VAL 8 0.513 6.384 2.245 72 H THR 9 H THR 9 3.072 7.144 -1.319 73 HA THR 9 HA THR 9 2.219 7.235 -4.080 74 HB THR 9 HB THR 9 4.989 7.138 -2.779 75 HG1 THR 9 HG1 THR 9 4.989 9.400 -3.465 76 HG21 THR 9 3HG2 THR 9 4.167 7.632 -5.683 77 HG22 THR 9 1HG2 THR 9 5.829 7.781 -5.020 78 HG23 THR 9 2HG2 THR 9 5.016 6.180 -5.054 79 H VAL 10 H VAL 10 1.890 5.404 -5.314 80 HA VAL 10 HA VAL 10 2.826 2.888 -4.160 81 HB VAL 10 HB VAL 10 0.796 3.415 -6.390 82 HG11 VAL 10 1HG1 VAL 10 0.142 1.058 -6.006 83 HG12 VAL 10 2HG1 VAL 10 1.853 1.200 -6.532 84 HG13 VAL 10 3HG1 VAL 10 1.467 0.891 -4.806 85 HG21 VAL 10 3HG2 VAL 10 0.021 4.324 -4.245 86 HG22 VAL 10 1HG2 VAL 10 -0.913 2.856 -4.691 87 HG23 VAL 10 2HG2 VAL 10 0.371 2.757 -3.439 88 H LYS 11 H LYS 11 4.679 1.993 -5.009 89 HA LYS 11 HA LYS 11 5.448 2.880 -7.712 90 HB2 LYS 11 2HB LYS 11 7.071 1.868 -5.329 91 HB3 LYS 11 3HB LYS 11 7.749 2.143 -6.939 92 HG2 LYS 11 2HG LYS 11 7.045 4.561 -6.779 93 HG3 LYS 11 3HG LYS 11 6.477 4.257 -5.132 94 HD2 LYS 11 2HD LYS 11 8.757 3.579 -4.434 95 HD3 LYS 11 3HD LYS 11 9.346 3.766 -6.092 96 HE2 LYS 11 2HE LYS 11 8.691 6.204 -6.012 97 HE3 LYS 11 3HE LYS 11 8.201 5.993 -4.326 98 HZ1 LYS 11 3HZ LYS 11 10.742 6.486 -5.301 99 HZ2 LYS 11 1HZ LYS 11 10.295 6.263 -3.747 100 HZ3 LYS 11 2HZ LYS 11 10.789 4.992 -4.644 101 H PHE 12 H PHE 12 4.871 1.340 -9.256 102 HA PHE 12 HA PHE 12 5.766 -1.399 -8.654 103 HB2 PHE 12 2HB PHE 12 4.073 -0.190 -10.890 104 HB3 PHE 12 3HB PHE 12 4.684 -1.849 -10.928 105 HD1 PHE 12 HD1 PHE 12 3.811 -3.551 -9.394 106 HD2 PHE 12 HD2 PHE 12 2.309 0.473 -9.337 107 HE1 PHE 12 HE1 PHE 12 1.851 -4.301 -8.078 108 HE2 PHE 12 HE2 PHE 12 0.352 -0.277 -8.015 109 HZ PHE 12 HZ PHE 12 0.122 -2.663 -7.384 110 HA PRO 13 HA PRO 13 9.446 -1.013 -11.024 111 HB2 PRO 13 2HB PRO 13 9.352 -3.370 -12.559 112 HB3 PRO 13 3HB PRO 13 9.805 -3.366 -10.849 113 HG2 PRO 13 2HG PRO 13 7.102 -3.947 -12.106 114 HG3 PRO 13 3HG PRO 13 7.937 -4.821 -10.815 115 HD2 PRO 13 2HD PRO 13 5.960 -3.098 -10.186 116 HD3 PRO 13 3HD PRO 13 7.404 -3.167 -9.168 117 H SER 14 H SER 14 6.376 -1.368 -12.757 118 HA SER 14 HA SER 14 7.735 -0.196 -15.105 119 HB2 SER 14 2HB SER 14 6.085 -1.370 -16.484 120 HB3 SER 14 3HB SER 14 7.029 -2.516 -15.522 121 HG SER 14 HG SER 14 4.764 -2.992 -15.496 122 H LYS 15 H LYS 15 5.513 0.328 -12.543 123 HA LYS 15 HA LYS 15 4.232 2.494 -14.026 124 HB2 LYS 15 2HB LYS 15 2.760 0.516 -14.328 125 HB3 LYS 15 3HB LYS 15 2.721 0.266 -12.577 126 HG2 LYS 15 2HG LYS 15 1.563 2.420 -12.255 127 HG3 LYS 15 3HG LYS 15 1.689 2.780 -13.982 128 HD2 LYS 15 2HD LYS 15 0.316 0.755 -14.507 129 HD3 LYS 15 3HD LYS 15 0.196 0.386 -12.781 130 HE2 LYS 15 2HE LYS 15 -0.841 2.716 -12.463 131 HE3 LYS 15 3HE LYS 15 -0.904 2.849 -14.225 132 HZ1 LYS 15 3HZ LYS 15 -2.207 0.727 -12.641 133 HZ2 LYS 15 1HZ LYS 15 -2.960 2.012 -13.311 134 HZ3 LYS 15 2HZ LYS 15 -2.280 0.874 -14.265 135 H GLN 16 H GLN 16 3.442 4.198 -12.647 136 HA GLN 16 HA GLN 16 3.679 3.710 -9.767 137 HB2 GLN 16 2HB GLN 16 4.974 5.982 -11.346 138 HB3 GLN 16 3HB GLN 16 4.675 6.072 -9.606 139 HG2 GLN 16 2HG GLN 16 6.077 4.000 -9.301 140 HG3 GLN 16 3HG GLN 16 6.437 4.026 -11.033 141 HE21 GLN 16 1HE2 GLN 16 8.640 4.097 -9.746 142 HE22 GLN 16 2HE2 GLN 16 9.321 5.679 -9.557 143 H PHE 17 H PHE 17 2.166 4.917 -8.504 144 HA PHE 17 HA PHE 17 0.847 7.190 -9.612 145 HB2 PHE 17 2HB PHE 17 -1.440 6.269 -9.561 146 HB3 PHE 17 3HB PHE 17 -0.448 5.466 -10.785 147 HD1 PHE 17 HD1 PHE 17 -2.136 5.085 -7.524 148 HD2 PHE 17 HD2 PHE 17 0.210 3.131 -10.545 149 HE1 PHE 17 HE1 PHE 17 -2.695 2.884 -6.536 150 HE2 PHE 17 HE2 PHE 17 -0.351 0.932 -9.559 151 HZ PHE 17 HZ PHE 17 -1.805 0.804 -7.551 152 H THR 18 H THR 18 -0.857 8.041 -7.992 153 HA THR 18 HA THR 18 0.096 7.315 -5.308 154 HB THR 18 HB THR 18 -0.496 9.652 -4.668 155 HG1 THR 18 HG1 THR 18 -0.960 11.153 -6.434 156 HG21 THR 18 3HG2 THR 18 1.365 9.452 -7.086 157 HG22 THR 18 1HG2 THR 18 1.343 10.784 -5.882 158 HG23 THR 18 2HG2 THR 18 1.808 9.125 -5.376 159 H VAL 19 H VAL 19 -1.482 7.265 -3.554 160 HA VAL 19 HA VAL 19 -4.270 7.406 -4.465 161 HB VAL 19 HB VAL 19 -4.790 5.521 -2.913 162 HG11 VAL 19 1HG1 VAL 19 -3.845 3.712 -4.313 163 HG12 VAL 19 2HG1 VAL 19 -4.447 5.082 -5.307 164 HG13 VAL 19 3HG1 VAL 19 -2.684 4.880 -5.030 165 HG21 VAL 19 3HG2 VAL 19 -2.887 5.773 -1.377 166 HG22 VAL 19 1HG2 VAL 19 -2.947 4.109 -2.052 167 HG23 VAL 19 2HG2 VAL 19 -1.752 5.292 -2.683 168 H GLU 20 H GLU 20 -5.838 7.830 -2.632 169 HA GLU 20 HA GLU 20 -4.496 9.449 -0.561 170 HB2 GLU 20 2HB GLU 20 -5.854 10.743 -2.183 171 HB3 GLU 20 3HB GLU 20 -7.258 9.723 -1.843 172 HG2 GLU 20 2HG GLU 20 -7.256 10.515 0.526 173 HG3 GLU 20 3HG GLU 20 -5.858 11.541 0.180 174 H VAL 21 H VAL 21 -4.720 8.782 1.538 175 HA VAL 21 HA VAL 21 -7.058 7.141 2.168 176 HB VAL 21 HB VAL 21 -5.605 5.642 3.545 177 HG11 VAL 21 1HG1 VAL 21 -4.659 4.349 1.657 178 HG12 VAL 21 2HG1 VAL 21 -6.311 4.953 1.293 179 HG13 VAL 21 3HG1 VAL 21 -4.878 5.769 0.581 180 HG21 VAL 21 3HG2 VAL 21 -3.708 7.170 3.875 181 HG22 VAL 21 1HG2 VAL 21 -3.162 5.624 3.142 182 HG23 VAL 21 2HG2 VAL 21 -3.325 7.093 2.122 183 H ASP 22 H ASP 22 -7.164 6.837 4.715 184 HA ASP 22 HA ASP 22 -6.634 9.460 5.888 185 HB2 ASP 22 2HB ASP 22 -8.884 8.187 5.989 186 HB3 ASP 22 3HB ASP 22 -8.089 7.080 7.116 187 H ARG 23 H ARG 23 -5.447 9.747 7.868 188 HA ARG 23 HA ARG 23 -3.166 8.102 8.023 189 HB2 ARG 23 2HB ARG 23 -3.123 10.475 8.542 190 HB3 ARG 23 3HB ARG 23 -4.199 10.222 9.922 191 HG2 ARG 23 2HG ARG 23 -2.501 8.850 11.046 192 HG3 ARG 23 3HG ARG 23 -1.434 8.967 9.641 193 HD2 ARG 23 2HD ARG 23 -1.183 11.342 9.954 194 HD3 ARG 23 3HD ARG 23 -2.385 11.341 11.251 195 HE ARG 23 HE ARG 23 -0.268 9.557 11.923 196 HH11 ARG 23 1HH1 ARG 23 -0.879 13.000 11.575 197 HH12 ARG 23 2HH1 ARG 23 0.294 13.445 12.769 198 HH21 ARG 23 1HH2 ARG 23 1.242 10.143 13.439 199 HH22 ARG 23 2HH2 ARG 23 1.513 11.806 13.839 200 H THR 24 H THR 24 -6.326 8.046 9.703 201 HA THR 24 HA THR 24 -5.217 6.409 11.822 202 HB THR 24 HB THR 24 -7.469 6.569 12.813 203 HG1 THR 24 HG1 THR 24 -8.120 8.044 10.385 204 HG21 THR 24 3HG2 THR 24 -6.489 9.245 11.699 205 HG22 THR 24 1HG2 THR 24 -7.582 9.029 13.108 206 HG23 THR 24 2HG2 THR 24 -5.890 8.432 13.185 207 H GLU 25 H GLU 25 -6.332 5.860 8.657 208 HA GLU 25 HA GLU 25 -7.886 3.498 9.213 209 HB2 GLU 25 2HB GLU 25 -6.836 4.931 6.758 210 HB3 GLU 25 3HB GLU 25 -7.423 3.268 6.617 211 HG2 GLU 25 2HG GLU 25 -9.087 5.529 7.822 212 HG3 GLU 25 3HG GLU 25 -9.116 5.110 6.103 213 H THR 26 H THR 26 -7.257 1.307 8.388 214 HA THR 26 HA THR 26 -4.472 0.823 9.015 215 HB THR 26 HB THR 26 -5.156 -1.586 8.898 216 HG1 THR 26 HG1 THR 26 -7.559 -1.906 8.758 217 HG21 THR 26 3HG2 THR 26 -6.992 0.189 10.581 218 HG22 THR 26 1HG2 THR 26 -6.655 -1.551 10.870 219 HG23 THR 26 2HG2 THR 26 -5.334 -0.343 11.023 220 H VAL 27 H VAL 27 -3.370 -1.007 7.586 221 HA VAL 27 HA VAL 27 -3.044 0.146 5.052 222 HB VAL 27 HB VAL 27 -1.628 -1.892 4.607 223 HG11 VAL 27 1HG1 VAL 27 0.046 -1.407 6.368 224 HG12 VAL 27 2HG1 VAL 27 -0.685 0.095 5.709 225 HG13 VAL 27 3HG1 VAL 27 -1.206 -0.530 7.310 226 HG21 VAL 27 3HG2 VAL 27 -2.955 -3.536 5.865 227 HG22 VAL 27 1HG2 VAL 27 -1.260 -3.497 6.457 228 HG23 VAL 27 2HG2 VAL 27 -2.560 -2.696 7.403 229 H SER 28 H SER 28 -5.340 -2.234 6.272 230 HA SER 28 HA SER 28 -5.774 -3.712 3.922 231 HB2 SER 28 2HB SER 28 -7.854 -4.346 4.980 232 HB3 SER 28 3HB SER 28 -6.582 -4.299 6.207 233 HG SER 28 HG SER 28 -7.342 -2.233 6.875 234 H SER 29 H SER 29 -6.885 -0.446 4.950 235 HA SER 29 HA SER 29 -8.698 -0.178 2.745 236 HB2 SER 29 2HB SER 29 -7.335 1.800 4.627 237 HB3 SER 29 3HB SER 29 -8.507 2.270 3.388 238 HG SER 29 HG SER 29 -9.179 1.714 5.746 239 H LEU 30 H LEU 30 -5.200 0.531 3.342 240 HA LEU 30 HA LEU 30 -4.839 2.102 1.024 241 HB2 LEU 30 2HB LEU 30 -3.276 2.100 2.915 242 HB3 LEU 30 3HB LEU 30 -2.939 0.379 2.686 243 HG LEU 30 HG LEU 30 -1.903 0.876 0.464 244 HD11 LEU 30 1HD1 LEU 30 -1.453 3.220 -0.155 245 HD12 LEU 30 2HD1 LEU 30 -3.215 2.883 -0.086 246 HD13 LEU 30 3HD1 LEU 30 -2.419 3.780 1.251 247 HD21 LEU 30 3HD2 LEU 30 -0.533 0.784 2.518 248 HD22 LEU 30 1HD2 LEU 30 0.107 2.004 1.367 249 HD23 LEU 30 2HD2 LEU 30 -0.834 2.532 2.803 250 H LYS 31 H LYS 31 -4.502 -1.472 1.645 251 HA LYS 31 HA LYS 31 -3.383 -1.987 -0.909 252 HB2 LYS 31 2HB LYS 31 -3.627 -4.293 -0.316 253 HB3 LYS 31 3HB LYS 31 -3.158 -3.422 1.150 254 HG2 LYS 31 2HG LYS 31 -5.603 -3.388 1.835 255 HG3 LYS 31 3HG LYS 31 -5.963 -4.405 0.433 256 HD2 LYS 31 2HD LYS 31 -4.261 -6.090 1.308 257 HD3 LYS 31 3HD LYS 31 -4.104 -5.100 2.765 258 HE2 LYS 31 2HE LYS 31 -6.594 -5.331 3.143 259 HE3 LYS 31 3HE LYS 31 -6.680 -6.403 1.738 260 HZ1 LYS 31 3HZ LYS 31 -5.176 -6.890 4.225 261 HZ2 LYS 31 1HZ LYS 31 -6.485 -7.704 3.689 262 HZ3 LYS 31 2HZ LYS 31 -5.061 -7.839 2.902 263 H ASP 32 H ASP 32 -6.756 -1.818 0.365 264 HA ASP 32 HA ASP 32 -8.055 -2.954 -1.824 265 HB2 ASP 32 2HB ASP 32 -8.772 -0.753 0.154 266 HB3 ASP 32 3HB ASP 32 -9.892 -1.258 -1.118 267 H LYS 33 H LYS 33 -6.844 0.441 -1.294 268 HA LYS 33 HA LYS 33 -7.940 1.493 -3.651 269 HB2 LYS 33 2HB LYS 33 -5.503 2.231 -1.967 270 HB3 LYS 33 3HB LYS 33 -6.047 3.193 -3.348 271 HG2 LYS 33 2HG LYS 33 -7.797 2.552 -0.924 272 HG3 LYS 33 3HG LYS 33 -6.828 4.022 -1.084 273 HD2 LYS 33 2HD LYS 33 -8.048 4.526 -3.254 274 HD3 LYS 33 3HD LYS 33 -9.077 3.118 -2.960 275 HE2 LYS 33 2HE LYS 33 -9.810 4.116 -0.780 276 HE3 LYS 33 3HE LYS 33 -8.791 5.529 -1.089 277 HZ1 LYS 33 3HZ LYS 33 -11.050 4.659 -2.777 278 HZ2 LYS 33 1HZ LYS 33 -11.063 5.917 -1.737 279 HZ3 LYS 33 2HZ LYS 33 -10.110 5.962 -3.062 280 H ILE 34 H ILE 34 -4.747 -0.132 -2.984 281 HA ILE 34 HA ILE 34 -3.694 0.267 -5.532 282 HB ILE 34 HB ILE 34 -3.296 -1.954 -3.465 283 HG12 ILE 34 2HG1 ILE 34 -1.463 0.350 -4.266 284 HG13 ILE 34 3HG1 ILE 34 -2.648 0.473 -2.959 285 HG21 ILE 34 1HG2 ILE 34 -1.253 -2.554 -4.719 286 HG22 ILE 34 2HG2 ILE 34 -2.737 -2.819 -5.694 287 HG23 ILE 34 3HG2 ILE 34 -1.702 -1.384 -6.005 288 HD11 ILE 34 3HD1 ILE 34 -0.349 -1.531 -3.099 289 HD12 ILE 34 1HD1 ILE 34 -0.415 -0.051 -2.084 290 HD13 ILE 34 2HD1 ILE 34 -1.552 -1.406 -1.772 291 H HIS 35 H HIS 35 -5.879 -2.321 -4.208 292 HA HIS 35 HA HIS 35 -5.698 -3.965 -6.504 293 HB2 HIS 35 2HB HIS 35 -6.396 -4.842 -4.333 294 HB3 HIS 35 3HB HIS 35 -7.765 -3.724 -4.267 295 HD2 HIS 35 HD2 HIS 35 -10.087 -4.889 -5.109 296 HE1 HIS 35 HE1 HIS 35 -8.369 -7.953 -7.555 297 H ILE 36 H ILE 36 -7.832 -1.202 -5.568 298 HA ILE 36 HA ILE 36 -9.737 -1.630 -7.580 299 HB ILE 36 HB ILE 36 -8.831 0.845 -6.036 300 HG12 ILE 36 2HG1 ILE 36 -11.440 -0.730 -5.910 301 HG13 ILE 36 3HG1 ILE 36 -10.038 -1.106 -4.899 302 HG21 ILE 36 1HG2 ILE 36 -10.850 1.979 -6.908 303 HG22 ILE 36 2HG2 ILE 36 -9.692 1.574 -8.220 304 HG23 ILE 36 3HG2 ILE 36 -11.167 0.577 -7.985 305 HD11 ILE 36 3HD1 ILE 36 -11.537 1.553 -4.952 306 HD12 ILE 36 1HD1 ILE 36 -11.657 0.284 -3.686 307 HD13 ILE 36 2HD1 ILE 36 -10.114 1.172 -3.925 308 H VAL 37 H VAL 37 -6.638 0.282 -7.496 309 HA VAL 37 HA VAL 37 -7.059 1.391 -10.072 310 HB VAL 37 HB VAL 37 -4.571 1.055 -8.323 311 HG11 VAL 37 1HG1 VAL 37 -3.491 2.701 -9.818 312 HG12 VAL 37 2HG1 VAL 37 -3.909 1.183 -10.682 313 HG13 VAL 37 3HG1 VAL 37 -4.923 2.650 -10.901 314 HG21 VAL 37 3HG2 VAL 37 -6.296 2.528 -7.388 315 HG22 VAL 37 1HG2 VAL 37 -4.867 3.476 -7.919 316 HG23 VAL 37 2HG2 VAL 37 -6.355 3.457 -8.924 317 H GLU 38 H GLU 38 -5.343 -1.541 -8.799 318 HA GLU 38 HA GLU 38 -4.326 -2.077 -11.491 319 HB2 GLU 38 2HB GLU 38 -3.834 -3.384 -8.771 320 HB3 GLU 38 3HB GLU 38 -3.103 -3.927 -10.287 321 HG2 GLU 38 2HG GLU 38 -2.703 -1.193 -8.977 322 HG3 GLU 38 3HG GLU 38 -1.542 -2.527 -8.986 323 H ASN 39 H ASN 39 -4.233 -4.809 -11.652 324 HA ASN 39 HA ASN 39 -7.066 -5.580 -11.421 325 HB2 ASN 39 2HB ASN 39 -6.861 -6.740 -13.561 326 HB3 ASN 39 3HB ASN 39 -6.586 -5.001 -13.732 327 HD21 ASN 39 1HD2 ASN 39 -5.731 -6.076 -15.784 328 HD22 ASN 39 2HD2 ASN 39 -4.014 -6.307 -15.814 329 H THR 40 H THR 40 -4.549 -6.112 -9.696 330 HA THR 40 HA THR 40 -4.549 -9.032 -10.028 331 HB THR 40 HB THR 40 -2.482 -7.162 -8.756 332 HG1 THR 40 HG1 THR 40 -1.920 -9.038 -10.840 333 HG21 THR 40 3HG2 THR 40 -2.505 -10.212 -8.995 334 HG22 THR 40 1HG2 THR 40 -1.137 -9.213 -8.397 335 HG23 THR 40 2HG2 THR 40 -2.679 -9.265 -7.478 336 HA PRO 41 HA PRO 41 -6.913 -9.216 -6.254 337 HB2 PRO 41 2HB PRO 41 -5.463 -11.897 -6.056 338 HB3 PRO 41 3HB PRO 41 -7.198 -11.576 -5.934 339 HG2 PRO 41 2HG PRO 41 -6.232 -12.658 -8.169 340 HG3 PRO 41 3HG PRO 41 -7.470 -11.400 -8.284 341 HD2 PRO 41 2HD PRO 41 -4.475 -11.177 -8.758 342 HD3 PRO 41 3HD PRO 41 -5.800 -10.414 -9.646 343 H ILE 42 H ILE 42 -6.676 -8.841 -4.092 344 HA ILE 42 HA ILE 42 -4.221 -7.820 -3.297 345 HB ILE 42 HB ILE 42 -6.692 -8.727 -1.747 346 HG12 ILE 42 2HG1 ILE 42 -5.579 -5.942 -2.315 347 HG13 ILE 42 3HG1 ILE 42 -6.789 -6.741 -3.328 348 HG21 ILE 42 1HG2 ILE 42 -5.763 -7.526 0.205 349 HG22 ILE 42 2HG2 ILE 42 -4.744 -8.928 -0.265 350 HG23 ILE 42 3HG2 ILE 42 -4.230 -7.261 -0.693 351 HD11 ILE 42 3HD1 ILE 42 -7.113 -6.053 -0.373 352 HD12 ILE 42 1HD1 ILE 42 -7.843 -5.177 -1.760 353 HD13 ILE 42 2HD1 ILE 42 -8.341 -6.865 -1.402 354 H LYS 43 H LYS 43 -5.651 -11.116 -2.938 355 HA LYS 43 HA LYS 43 -3.852 -12.018 -0.966 356 HB2 LYS 43 2HB LYS 43 -5.496 -13.445 -3.107 357 HB3 LYS 43 3HB LYS 43 -4.554 -14.296 -1.875 358 HG2 LYS 43 2HG LYS 43 -5.900 -13.210 -0.083 359 HG3 LYS 43 3HG LYS 43 -6.830 -12.332 -1.304 360 HD2 LYS 43 2HD LYS 43 -7.606 -14.495 -2.283 361 HD3 LYS 43 3HD LYS 43 -6.655 -15.385 -1.087 362 HE2 LYS 43 2HE LYS 43 -7.978 -14.339 0.756 363 HE3 LYS 43 3HE LYS 43 -8.917 -13.423 -0.430 364 HZ1 LYS 43 3HZ LYS 43 -8.821 -16.366 -0.243 365 HZ2 LYS 43 1HZ LYS 43 -10.055 -15.417 0.250 366 HZ3 LYS 43 2HZ LYS 43 -9.689 -15.521 -1.338 367 H ARG 44 H ARG 44 -3.472 -11.416 -4.431 368 HA ARG 44 HA ARG 44 -1.066 -13.083 -4.455 369 HB2 ARG 44 2HB ARG 44 -2.539 -11.693 -6.710 370 HB3 ARG 44 3HB ARG 44 -1.048 -12.628 -6.884 371 HG2 ARG 44 2HG ARG 44 -2.174 -14.666 -6.154 372 HG3 ARG 44 3HG ARG 44 -3.650 -13.767 -5.780 373 HD2 ARG 44 2HD ARG 44 -3.824 -13.143 -8.180 374 HD3 ARG 44 3HD ARG 44 -2.413 -14.156 -8.512 375 HE ARG 44 HE ARG 44 -4.288 -15.773 -7.186 376 HH11 ARG 44 1HH1 ARG 44 -4.104 -13.978 -10.202 377 HH12 ARG 44 2HH1 ARG 44 -5.127 -15.084 -11.056 378 HH21 ARG 44 1HH2 ARG 44 -5.608 -17.174 -8.289 379 HH22 ARG 44 2HH2 ARG 44 -5.992 -16.919 -9.958 380 H MET 45 H MET 45 -2.169 -9.712 -4.302 381 HA MET 45 HA MET 45 0.309 -8.618 -5.249 382 HB2 MET 45 2HB MET 45 -1.868 -7.452 -5.455 383 HB3 MET 45 3HB MET 45 -2.029 -7.414 -3.694 384 HG2 MET 45 2HG MET 45 0.406 -6.169 -4.998 385 HG3 MET 45 3HG MET 45 -1.138 -5.307 -5.026 386 HE1 MET 45 3HE MET 45 -2.434 -5.663 -1.801 387 HE2 MET 45 1HE MET 45 -1.797 -3.986 -1.724 388 HE3 MET 45 2HE MET 45 -2.451 -4.628 -3.269 389 H GLN 46 H GLN 46 2.148 -8.094 -4.093 390 HA GLN 46 HA GLN 46 1.990 -8.472 -1.178 391 HB2 GLN 46 2HB GLN 46 3.624 -9.880 -2.445 392 HB3 GLN 46 3HB GLN 46 4.387 -8.418 -3.081 393 HG2 GLN 46 2HG GLN 46 5.038 -7.729 -0.801 394 HG3 GLN 46 3HG GLN 46 4.208 -9.133 -0.118 395 HE21 GLN 46 1HE2 GLN 46 6.585 -9.224 0.723 396 HE22 GLN 46 2HE2 GLN 46 7.661 -10.231 -0.187 397 H LEU 47 H LEU 47 2.531 -6.772 0.234 398 HA LEU 47 HA LEU 47 2.891 -4.179 -1.138 399 HB2 LEU 47 2HB LEU 47 0.590 -4.403 -0.394 400 HB3 LEU 47 3HB LEU 47 1.097 -4.998 1.193 401 HG LEU 47 HG LEU 47 2.079 -2.771 1.730 402 HD11 LEU 47 1HD1 LEU 47 1.652 -0.861 0.228 403 HD12 LEU 47 2HD1 LEU 47 2.686 -2.100 -0.560 404 HD13 LEU 47 3HD1 LEU 47 0.947 -1.975 -0.992 405 HD21 LEU 47 3HD2 LEU 47 -0.264 -3.289 2.316 406 HD22 LEU 47 1HD2 LEU 47 -0.070 -1.554 1.896 407 HD23 LEU 47 2HD2 LEU 47 -0.804 -2.688 0.712 408 H TYR 48 H TYR 48 4.914 -3.413 -0.668 409 HA TYR 48 HA TYR 48 5.862 -3.830 2.098 410 HB2 TYR 48 2HB TYR 48 7.279 -5.029 0.552 411 HB3 TYR 48 3HB TYR 48 7.337 -3.660 -0.567 412 HD1 TYR 48 HD1 TYR 48 8.386 -4.768 2.854 413 HD2 TYR 48 HD2 TYR 48 9.002 -1.980 -0.351 414 HE1 TYR 48 HE1 TYR 48 10.438 -3.947 3.969 415 HE2 TYR 48 HE2 TYR 48 11.058 -1.158 0.756 416 HH TYR 48 HH TYR 48 12.546 -1.517 2.389 417 H TYR 49 H TYR 49 6.527 -2.022 3.279 418 HA TYR 49 HA TYR 49 6.446 0.545 1.824 419 HB2 TYR 49 2HB TYR 49 4.682 0.529 3.437 420 HB3 TYR 49 3HB TYR 49 5.690 -0.250 4.664 421 HD1 TYR 49 HD1 TYR 49 5.906 2.852 2.509 422 HD2 TYR 49 HD2 TYR 49 6.314 1.128 6.419 423 HE1 TYR 49 HE1 TYR 49 6.509 5.073 3.422 424 HE2 TYR 49 HE2 TYR 49 6.917 3.345 7.337 425 HH TYR 49 HH TYR 49 6.480 5.782 6.711 426 H SER 50 H SER 50 8.246 1.888 1.926 427 HA SER 50 HA SER 50 10.745 1.205 2.319 428 HB2 SER 50 2HB SER 50 9.977 3.486 1.778 429 HB3 SER 50 3HB SER 50 9.450 3.726 3.449 430 HG SER 50 HG SER 50 11.539 4.633 3.040 431 H GLY 51 H GLY 51 11.516 -0.293 3.804 432 HA2 GLY 51 2HA GLY 51 12.526 -0.566 5.894 433 HA3 GLY 51 3HA GLY 51 11.352 0.542 6.616 434 H ILE 52 H ILE 52 9.007 -0.241 6.767 435 HA ILE 52 HA ILE 52 9.155 -3.037 7.588 436 HB ILE 52 HB ILE 52 7.152 -0.808 8.214 437 HG12 ILE 52 2HG1 ILE 52 9.175 -2.213 10.018 438 HG13 ILE 52 3HG1 ILE 52 9.477 -0.663 9.221 439 HG21 ILE 52 1HG2 ILE 52 6.197 -2.393 9.855 440 HG22 ILE 52 2HG2 ILE 52 6.043 -3.000 8.172 441 HG23 ILE 52 3HG2 ILE 52 7.306 -3.674 9.257 442 HD11 ILE 52 3HD1 ILE 52 7.243 -1.233 11.221 443 HD12 ILE 52 1HD1 ILE 52 8.765 -0.337 11.547 444 HD13 ILE 52 2HD1 ILE 52 7.549 0.341 10.412 445 H GLU 53 H GLU 53 8.016 -4.657 6.531 446 HA GLU 53 HA GLU 53 6.425 -4.014 4.242 447 HB2 GLU 53 2HB GLU 53 7.791 -6.068 4.412 448 HB3 GLU 53 3HB GLU 53 6.845 -6.605 5.806 449 HG2 GLU 53 2HG GLU 53 4.815 -6.774 4.399 450 HG3 GLU 53 3HG GLU 53 5.708 -6.160 3.001 451 H LEU 54 H LEU 54 4.171 -3.956 4.018 452 HA LEU 54 HA LEU 54 2.817 -3.435 6.535 453 HB2 LEU 54 2HB LEU 54 1.858 -3.188 3.644 454 HB3 LEU 54 3HB LEU 54 1.049 -2.541 5.078 455 HG LEU 54 HG LEU 54 3.765 -1.642 3.980 456 HD11 LEU 54 1HD1 LEU 54 2.571 0.467 3.520 457 HD12 LEU 54 2HD1 LEU 54 1.837 -0.913 2.635 458 HD13 LEU 54 3HD1 LEU 54 1.042 -0.268 4.110 459 HD21 LEU 54 3HD2 LEU 54 3.686 -1.560 6.448 460 HD22 LEU 54 1HD2 LEU 54 3.640 0.091 5.743 461 HD23 LEU 54 2HD2 LEU 54 2.134 -0.659 6.374 462 H ALA 55 H ALA 55 3.005 -5.905 7.090 463 HA ALA 55 HA ALA 55 1.460 -7.605 5.304 464 HB1 ALA 55 3HB ALA 55 3.168 -8.190 7.774 465 HB2 ALA 55 1HB ALA 55 2.413 -9.422 6.707 466 HB3 ALA 55 2HB ALA 55 3.689 -8.336 6.061 467 H ASP 56 H ASP 56 1.145 -5.996 8.466 468 HA ASP 56 HA ASP 56 -0.847 -7.957 9.316 469 HB2 ASP 56 2HB ASP 56 0.602 -5.649 10.690 470 HB3 ASP 56 3HB ASP 56 -0.727 -6.534 11.450 471 H ASP 57 H ASP 57 -3.011 -7.600 9.011 472 HA ASP 57 HA ASP 57 -3.819 -5.237 7.667 473 HB2 ASP 57 2HB ASP 57 -5.257 -7.642 8.860 474 HB3 ASP 57 3HB ASP 57 -6.148 -6.295 8.140 475 H TYR 58 H TYR 58 -3.863 -6.295 11.106 476 HA TYR 58 HA TYR 58 -5.958 -4.449 11.793 477 HB2 TYR 58 2HB TYR 58 -5.732 -5.344 13.996 478 HB3 TYR 58 3HB TYR 58 -5.541 -6.703 12.881 479 HD1 TYR 58 HD1 TYR 58 -3.324 -7.753 12.544 480 HD2 TYR 58 HD2 TYR 58 -3.870 -4.563 15.363 481 HE1 TYR 58 HE1 TYR 58 -1.155 -8.316 13.597 482 HE2 TYR 58 HE2 TYR 58 -1.703 -5.119 16.420 483 HH TYR 58 HH TYR 58 0.308 -7.839 15.181 484 H ARG 59 H ARG 59 -2.545 -4.163 11.256 485 HA ARG 59 HA ARG 59 -2.132 -2.136 13.256 486 HB2 ARG 59 2HB ARG 59 -0.435 -3.120 10.951 487 HB3 ARG 59 3HB ARG 59 0.046 -1.824 12.054 488 HG2 ARG 59 2HG ARG 59 -0.757 -4.563 13.087 489 HG3 ARG 59 3HG ARG 59 0.879 -4.243 12.498 490 HD2 ARG 59 2HD ARG 59 1.196 -2.515 14.148 491 HD3 ARG 59 3HD ARG 59 -0.487 -2.651 14.674 492 HE ARG 59 HE ARG 59 0.673 -5.187 14.992 493 HH11 ARG 59 1HH1 ARG 59 1.162 -1.954 16.277 494 HH12 ARG 59 2HH1 ARG 59 1.715 -2.524 17.816 495 HH21 ARG 59 1HH2 ARG 59 1.397 -5.904 16.962 496 HH22 ARG 59 2HH2 ARG 59 1.851 -4.793 18.210 497 H ASN 60 H ASN 60 -2.021 0.125 12.959 498 HA ASN 60 HA ASN 60 -3.605 1.035 10.721 499 HB2 ASN 60 2HB ASN 60 -2.428 2.432 13.150 500 HB3 ASN 60 3HB ASN 60 -3.368 3.255 11.899 501 HD21 ASN 60 1HD2 ASN 60 -3.537 1.963 14.868 502 HD22 ASN 60 2HD2 ASN 60 -5.236 1.639 14.950 503 H LEU 61 H LEU 61 -2.931 2.887 9.333 504 HA LEU 61 HA LEU 61 -0.385 2.587 8.224 505 HB2 LEU 61 2HB LEU 61 -2.413 4.869 8.180 506 HB3 LEU 61 3HB LEU 61 -0.938 4.864 7.204 507 HG LEU 61 HG LEU 61 -3.067 2.671 7.032 508 HD11 LEU 61 1HD1 LEU 61 -3.817 3.809 4.976 509 HD12 LEU 61 2HD1 LEU 61 -4.039 4.849 6.423 510 HD13 LEU 61 3HD1 LEU 61 -2.672 5.154 5.300 511 HD21 LEU 61 3HD2 LEU 61 -0.800 2.044 6.283 512 HD22 LEU 61 1HD2 LEU 61 -1.928 2.182 4.892 513 HD23 LEU 61 2HD2 LEU 61 -0.744 3.492 5.222 514 H ASN 62 H ASN 62 -1.613 4.903 10.749 515 HA ASN 62 HA ASN 62 0.732 6.414 10.909 516 HB2 ASN 62 2HB ASN 62 -1.421 7.083 11.884 517 HB3 ASN 62 3HB ASN 62 -1.335 5.747 13.040 518 HD21 ASN 62 1HD2 ASN 62 -0.637 6.241 14.961 519 HD22 ASN 62 2HD2 ASN 62 0.484 7.498 15.368 520 H GLU 63 H GLU 63 -0.219 3.271 12.436 521 HA GLU 63 HA GLU 63 1.910 3.253 14.302 522 HB2 GLU 63 2HB GLU 63 0.107 1.114 13.094 523 HB3 GLU 63 3HB GLU 63 1.365 0.728 14.275 524 HG2 GLU 63 2HG GLU 63 0.300 2.146 15.965 525 HG3 GLU 63 3HG GLU 63 -0.878 2.741 14.789 526 H TYR 64 H TYR 64 1.666 2.399 10.839 527 HA TYR 64 HA TYR 64 4.134 0.913 10.869 528 HB2 TYR 64 2HB TYR 64 2.164 1.895 8.783 529 HB3 TYR 64 3HB TYR 64 3.771 1.354 8.280 530 HD1 TYR 64 HD1 TYR 64 4.511 -1.010 9.321 531 HD2 TYR 64 HD2 TYR 64 0.453 0.316 8.884 532 HE1 TYR 64 HE1 TYR 64 3.741 -3.361 9.375 533 HE2 TYR 64 HE2 TYR 64 -0.326 -2.034 8.939 534 HH TYR 64 HH TYR 64 0.235 -4.159 9.151 535 H GLY 65 H GLY 65 3.253 4.301 10.868 536 HA2 GLY 65 2HA GLY 65 4.742 6.056 10.863 537 HA3 GLY 65 3HA GLY 65 5.997 5.013 10.181 538 H ILE 66 H ILE 66 2.683 5.154 8.782 539 HA ILE 66 HA ILE 66 3.848 5.908 6.274 540 HB ILE 66 HB ILE 66 0.925 5.504 7.095 541 HG12 ILE 66 2HG1 ILE 66 2.396 3.506 7.428 542 HG13 ILE 66 3HG1 ILE 66 1.125 3.266 6.222 543 HG21 ILE 66 1HG2 ILE 66 0.529 5.224 4.670 544 HG22 ILE 66 2HG2 ILE 66 1.160 6.860 5.060 545 HG23 ILE 66 3HG2 ILE 66 2.250 5.624 4.347 546 HD11 ILE 66 3HD1 ILE 66 4.050 3.894 5.625 547 HD12 ILE 66 1HD1 ILE 66 3.248 2.295 5.472 548 HD13 ILE 66 2HD1 ILE 66 2.759 3.651 4.401 549 H THR 67 H THR 67 4.227 8.023 5.686 550 HA THR 67 HA THR 67 2.682 10.066 7.108 551 HB THR 67 HB THR 67 4.504 11.597 6.571 552 HG1 THR 67 HG1 THR 67 6.370 10.774 5.376 553 HG21 THR 67 3HG2 THR 67 5.591 8.901 7.523 554 HG22 THR 67 1HG2 THR 67 6.381 10.497 7.758 555 HG23 THR 67 2HG2 THR 67 4.806 10.150 8.548 556 H GLU 68 H GLU 68 2.700 12.263 5.582 557 HA GLU 68 HA GLU 68 0.863 11.744 3.548 558 HB2 GLU 68 2HB GLU 68 1.096 13.899 4.748 559 HB3 GLU 68 3HB GLU 68 2.692 14.147 4.028 560 HG2 GLU 68 2HG GLU 68 1.675 14.263 1.766 561 HG3 GLU 68 3HG GLU 68 0.075 13.957 2.454 562 H PHE 69 H PHE 69 4.419 11.656 3.537 563 HA PHE 69 HA PHE 69 4.365 11.691 0.588 564 HB2 PHE 69 2HB PHE 69 6.658 12.231 2.538 565 HB3 PHE 69 3HB PHE 69 6.769 12.282 0.774 566 HD1 PHE 69 HD1 PHE 69 5.425 14.024 -0.494 567 HD2 PHE 69 HD2 PHE 69 5.865 14.095 3.780 568 HE1 PHE 69 HE1 PHE 69 4.765 16.409 -0.465 569 HE2 PHE 69 HE2 PHE 69 5.202 16.481 3.805 570 HZ PHE 69 HZ PHE 69 4.652 17.642 1.686 571 H SER 70 H SER 70 3.821 9.369 2.604 572 HA SER 70 HA SER 70 6.046 7.711 2.773 573 HB2 SER 70 2HB SER 70 4.432 5.949 3.197 574 HB3 SER 70 3HB SER 70 3.909 7.432 4.006 575 HG SER 70 HG SER 70 2.247 7.662 2.637 576 H GLU 71 H GLU 71 6.858 5.979 1.494 577 HA GLU 71 HA GLU 71 5.724 5.832 -1.224 578 HB2 GLU 71 2HB GLU 71 8.651 5.856 -0.346 579 HB3 GLU 71 3HB GLU 71 8.112 5.375 -1.960 580 HG2 GLU 71 2HG GLU 71 7.120 7.645 -2.300 581 HG3 GLU 71 3HG GLU 71 7.676 8.124 -0.691 582 H ILE 72 H ILE 72 4.949 3.807 -1.650 583 HA ILE 72 HA ILE 72 6.162 1.609 -0.118 584 HB ILE 72 HB ILE 72 3.958 0.454 -0.388 585 HG12 ILE 72 2HG1 ILE 72 2.964 3.158 -1.397 586 HG13 ILE 72 3HG1 ILE 72 3.301 1.775 -2.447 587 HG21 ILE 72 1HG2 ILE 72 2.726 1.818 1.267 588 HG22 ILE 72 2HG2 ILE 72 4.471 1.689 1.673 589 HG23 ILE 72 3HG2 ILE 72 3.828 3.199 0.943 590 HD11 ILE 72 3HD1 ILE 72 1.254 1.839 -0.185 591 HD12 ILE 72 1HD1 ILE 72 0.906 1.941 -1.943 592 HD13 ILE 72 2HD1 ILE 72 1.596 0.435 -1.251 593 H VAL 73 H VAL 73 6.683 -0.340 -1.246 594 HA VAL 73 HA VAL 73 6.483 -0.098 -4.165 595 HB VAL 73 HB VAL 73 8.372 -1.762 -2.422 596 HG11 VAL 73 1HG1 VAL 73 9.516 -2.302 -4.549 597 HG12 VAL 73 2HG1 VAL 73 7.826 -2.910 -4.524 598 HG13 VAL 73 3HG1 VAL 73 8.234 -1.428 -5.454 599 HG21 VAL 73 3HG2 VAL 73 8.886 0.641 -2.375 600 HG22 VAL 73 1HG2 VAL 73 10.126 -0.258 -3.312 601 HG23 VAL 73 2HG2 VAL 73 8.867 0.694 -4.170 602 H VAL 74 H VAL 74 5.288 -1.628 -5.317 603 HA VAL 74 HA VAL 74 4.056 -3.700 -3.631 604 HB VAL 74 HB VAL 74 2.821 -2.114 -5.945 605 HG11 VAL 74 1HG1 VAL 74 0.720 -3.250 -5.294 606 HG12 VAL 74 2HG1 VAL 74 1.977 -4.420 -5.821 607 HG13 VAL 74 3HG1 VAL 74 1.622 -4.210 -4.073 608 HG21 VAL 74 3HG2 VAL 74 3.097 -0.748 -3.920 609 HG22 VAL 74 1HG2 VAL 74 1.366 -1.135 -4.199 610 HG23 VAL 74 2HG2 VAL 74 2.291 -2.017 -2.938 611 H PHE 75 H PHE 75 4.068 -5.811 -4.428 612 HA PHE 75 HA PHE 75 5.278 -6.126 -7.101 613 HB2 PHE 75 2HB PHE 75 5.411 -7.940 -4.641 614 HB3 PHE 75 3HB PHE 75 6.140 -8.287 -6.215 615 HD1 PHE 75 HD1 PHE 75 8.087 -6.987 -7.017 616 HD2 PHE 75 HD2 PHE 75 6.405 -6.340 -3.117 617 HE1 PHE 75 HE1 PHE 75 10.139 -5.787 -6.330 618 HE2 PHE 75 HE2 PHE 75 8.460 -5.140 -2.432 619 HZ PHE 75 HZ PHE 75 10.330 -4.862 -4.036 620 H LEU 76 H LEU 76 4.386 -7.675 -8.545 621 HA LEU 76 HA LEU 76 1.645 -8.451 -7.792 622 HB2 LEU 76 2HB LEU 76 2.970 -8.015 -10.514 623 HB3 LEU 76 3HB LEU 76 1.302 -8.551 -10.273 624 HG LEU 76 HG LEU 76 2.445 -5.858 -9.362 625 HD11 LEU 76 1HD1 LEU 76 1.017 -4.933 -11.151 626 HD12 LEU 76 2HD1 LEU 76 2.258 -6.052 -11.810 627 HD13 LEU 76 3HD1 LEU 76 0.554 -6.596 -11.644 628 HD21 LEU 76 3HD2 LEU 76 0.656 -6.705 -7.887 629 HD22 LEU 76 1HD2 LEU 76 0.082 -5.316 -8.870 630 HD23 LEU 76 2HD2 LEU 76 -0.395 -6.990 -9.315 631 H LYS 77 H LYS 77 1.058 -10.608 -7.737 632 HA LYS 77 HA LYS 77 2.885 -12.482 -9.102 633 HB2 LYS 77 2HB LYS 77 1.189 -12.874 -6.591 634 HB3 LYS 77 3HB LYS 77 2.029 -14.175 -7.444 635 HG2 LYS 77 2HG LYS 77 4.215 -12.987 -7.023 636 HG3 LYS 77 3HG LYS 77 3.340 -11.766 -6.091 637 HD2 LYS 77 2HD LYS 77 2.495 -13.566 -4.552 638 HD3 LYS 77 3HD LYS 77 3.410 -14.768 -5.473 639 HE2 LYS 77 2HE LYS 77 5.534 -13.556 -4.948 640 HE3 LYS 77 3HE LYS 77 4.621 -12.350 -4.031 641 HZ1 LYS 77 3HZ LYS 77 4.751 -15.230 -3.396 642 HZ2 LYS 77 1HZ LYS 77 5.538 -14.040 -2.602 643 HZ3 LYS 77 2HZ LYS 77 3.908 -14.117 -2.550 644 H SER 78 H SER 78 1.413 -11.785 -11.018 645 HA SER 78 HA SER 78 -0.590 -13.868 -11.239 646 HB2 SER 78 2HB SER 78 -2.363 -12.380 -11.950 647 HB3 SER 78 3HB SER 78 -1.851 -11.932 -10.318 648 HG SER 78 HG SER 78 -0.414 -10.614 -12.296 649 H ILE 79 H ILE 79 -1.009 -14.455 -13.446 650 HA ILE 79 HA ILE 79 0.909 -13.234 -15.296 651 HB ILE 79 HB ILE 79 -0.507 -15.947 -15.329 652 HG12 ILE 79 2HG1 ILE 79 2.453 -15.240 -15.060 653 HG13 ILE 79 3HG1 ILE 79 1.393 -15.620 -13.696 654 HG21 ILE 79 1HG2 ILE 79 0.869 -16.432 -17.325 655 HG22 ILE 79 2HG2 ILE 79 -0.265 -15.068 -17.609 656 HG23 ILE 79 3HG2 ILE 79 1.476 -14.742 -17.312 657 HD11 ILE 79 3HD1 ILE 79 2.048 -17.487 -16.018 658 HD12 ILE 79 1HD1 ILE 79 2.721 -17.574 -14.355 659 HD13 ILE 79 2HD1 ILE 79 0.972 -17.873 -14.634 660 H ASN 80 H ASN 80 -2.462 -14.693 -15.274 661 HA ASN 80 HA ASN 80 -3.216 -13.483 -17.693 662 HB2 ASN 80 2HB ASN 80 -4.784 -14.567 -15.331 663 HB3 ASN 80 3HB ASN 80 -5.564 -13.907 -16.774 664 HD21 ASN 80 1HD2 ASN 80 -5.977 -16.479 -15.958 665 HD22 ASN 80 2HD2 ASN 80 -5.345 -17.549 -17.164 666 H ARG 81 H ARG 81 -4.915 -11.743 -17.961 667 HA ARG 81 HA ARG 81 -4.379 -9.630 -15.981 668 HB2 ARG 81 2HB ARG 81 -4.825 -9.384 -18.967 669 HB3 ARG 81 3HB ARG 81 -4.692 -8.033 -17.833 670 HG2 ARG 81 2HG ARG 81 -2.390 -8.729 -17.252 671 HG3 ARG 81 3HG ARG 81 -2.519 -10.110 -18.349 672 HD2 ARG 81 2HD ARG 81 -2.837 -8.562 -20.240 673 HD3 ARG 81 3HD ARG 81 -2.672 -7.191 -19.134 674 HE ARG 81 HE ARG 81 -0.368 -8.735 -18.799 675 HH11 ARG 81 1HH1 ARG 81 -1.917 -7.031 -21.454 676 HH12 ARG 81 2HH1 ARG 81 -0.418 -6.658 -22.239 677 HH21 ARG 81 1HH2 ARG 81 1.541 -8.262 -19.821 678 HH22 ARG 81 2HH2 ARG 81 1.568 -7.365 -21.303 679 H ALA 82 H ALA 82 -6.180 -7.766 -16.274 680 HA ALA 82 HA ALA 82 -8.788 -8.813 -16.942 681 HB1 ALA 82 3HB ALA 82 -8.067 -8.062 -14.068 682 HB2 ALA 82 1HB ALA 82 -9.724 -8.376 -14.687 683 HB3 ALA 82 2HB ALA 82 -8.508 -9.698 -14.663 684 H LYS 83 H LYS 83 -10.431 -7.112 -17.018 685 HA LYS 83 HA LYS 83 -9.388 -4.640 -17.865 686 HB2 LYS 83 2HB LYS 83 -11.519 -5.616 -18.656 687 HB3 LYS 83 3HB LYS 83 -12.208 -5.471 -17.033 688 HG2 LYS 83 2HG LYS 83 -12.020 -2.997 -17.156 689 HG3 LYS 83 3HG LYS 83 -11.284 -3.120 -18.760 690 HD2 LYS 83 2HD LYS 83 -13.347 -4.239 -19.624 691 HD3 LYS 83 3HD LYS 83 -14.083 -4.129 -18.020 692 HE2 LYS 83 2HE LYS 83 -13.880 -1.630 -18.109 693 HE3 LYS 83 3HE LYS 83 -13.171 -1.751 -19.724 694 HZ1 LYS 83 3HZ LYS 83 -15.876 -2.666 -18.981 695 HZ2 LYS 83 1HZ LYS 83 -15.522 -1.312 -19.821 696 HZ3 LYS 83 2HZ LYS 83 -15.222 -2.779 -20.472 697 H ASP 84 H ASP 84 -11.551 -5.302 -14.974 698 HA ASP 84 HA ASP 84 -10.940 -2.803 -13.795 699 HB2 ASP 84 2HB ASP 84 -12.157 -5.406 -12.775 700 HB3 ASP 84 3HB ASP 84 -11.931 -3.997 -11.730 Start of MODEL 10 1 H ALA 1 1H ALA 1 -10.036 22.479 3.599 2 HA ALA 1 HA ALA 1 -8.135 21.875 4.869 3 HB1 ALA 1 3HB ALA 1 -10.826 21.222 6.164 4 HB2 ALA 1 1HB ALA 1 -9.307 21.608 7.041 5 HB3 ALA 1 2HB ALA 1 -10.088 22.851 6.007 6 H ALA 2 H ALA 2 -6.679 20.235 5.093 7 HA ALA 2 HA ALA 2 -7.622 17.503 4.830 8 HB1 ALA 2 3HB ALA 2 -4.837 18.717 5.179 9 HB2 ALA 2 1HB ALA 2 -5.193 16.989 4.843 10 HB3 ALA 2 2HB ALA 2 -5.606 18.244 3.626 11 H VAL 3 H VAL 3 -8.270 16.309 6.568 12 HA VAL 3 HA VAL 3 -6.842 16.792 9.084 13 HB VAL 3 HB VAL 3 -9.855 16.366 8.739 14 HG11 VAL 3 1HG1 VAL 3 -9.950 16.617 11.202 15 HG12 VAL 3 2HG1 VAL 3 -8.979 15.187 10.713 16 HG13 VAL 3 3HG1 VAL 3 -8.156 16.687 11.259 17 HG21 VAL 3 3HG2 VAL 3 -9.144 18.654 8.203 18 HG22 VAL 3 1HG2 VAL 3 -10.046 18.611 9.756 19 HG23 VAL 3 2HG2 VAL 3 -8.256 18.757 9.761 20 H ARG 4 H ARG 4 -5.723 14.908 9.500 21 HA ARG 4 HA ARG 4 -5.221 12.768 9.669 22 HB2 ARG 4 2HB ARG 4 -8.205 12.260 9.555 23 HB3 ARG 4 3HB ARG 4 -6.963 11.088 10.016 24 HG2 ARG 4 2HG ARG 4 -6.352 12.430 11.971 25 HG3 ARG 4 3HG ARG 4 -7.466 13.714 11.482 26 HD2 ARG 4 2HD ARG 4 -9.338 12.061 11.683 27 HD3 ARG 4 3HD ARG 4 -8.175 10.907 12.348 28 HE ARG 4 HE ARG 4 -7.995 13.276 13.867 29 HH11 ARG 4 1HH1 ARG 4 -10.363 10.765 13.208 30 HH12 ARG 4 2HH1 ARG 4 -11.108 10.899 14.766 31 HH21 ARG 4 1HH2 ARG 4 -8.968 13.445 15.855 32 HH22 ARG 4 2HH2 ARG 4 -10.309 12.436 16.285 33 H LYS 5 H LYS 5 -5.633 14.160 6.952 34 HA LYS 5 HA LYS 5 -6.070 11.748 5.326 35 HB2 LYS 5 2HB LYS 5 -5.902 14.704 4.564 36 HB3 LYS 5 3HB LYS 5 -6.185 13.370 3.438 37 HG2 LYS 5 2HG LYS 5 -8.033 14.067 5.774 38 HG3 LYS 5 3HG LYS 5 -8.263 14.636 4.115 39 HD2 LYS 5 2HD LYS 5 -8.337 12.237 3.334 40 HD3 LYS 5 3HD LYS 5 -8.188 11.707 5.015 41 HE2 LYS 5 2HE LYS 5 -10.297 12.895 5.596 42 HE3 LYS 5 3HE LYS 5 -10.438 13.485 3.935 43 HZ1 LYS 5 3HZ LYS 5 -10.360 10.620 4.621 44 HZ2 LYS 5 1HZ LYS 5 -11.744 11.468 4.445 45 HZ3 LYS 5 2HZ LYS 5 -10.736 11.279 3.175 46 H ILE 6 H ILE 6 -4.389 10.800 4.183 47 HA ILE 6 HA ILE 6 -1.970 12.405 3.851 48 HB ILE 6 HB ILE 6 -0.592 10.358 4.336 49 HG12 ILE 6 2HG1 ILE 6 -3.206 9.248 5.466 50 HG13 ILE 6 3HG1 ILE 6 -2.474 8.729 3.943 51 HG21 ILE 6 1HG2 ILE 6 -0.789 10.490 6.797 52 HG22 ILE 6 2HG2 ILE 6 -0.873 12.113 6.032 53 HG23 ILE 6 3HG2 ILE 6 -2.372 11.319 6.622 54 HD11 ILE 6 3HD1 ILE 6 -1.197 8.492 6.706 55 HD12 ILE 6 1HD1 ILE 6 -1.945 7.163 5.758 56 HD13 ILE 6 2HD1 ILE 6 -0.453 7.965 5.158 57 H HIS 7 H HIS 7 -0.685 11.798 1.953 58 HA HIS 7 HA HIS 7 -2.108 9.977 0.129 59 HB2 HIS 7 2HB HIS 7 0.016 12.123 -0.365 60 HB3 HIS 7 3HB HIS 7 -0.617 11.038 -1.610 61 HD2 HIS 7 HD2 HIS 7 -1.620 14.305 0.259 62 HE1 HIS 7 HE1 HIS 7 -4.823 13.264 -2.382 63 H VAL 8 H VAL 8 -1.012 8.197 -0.837 64 HA VAL 8 HA VAL 8 1.701 7.742 0.199 65 HB VAL 8 HB VAL 8 -0.504 5.675 -0.286 66 HG11 VAL 8 1HG1 VAL 8 1.123 4.054 0.640 67 HG12 VAL 8 2HG1 VAL 8 1.722 4.813 -0.874 68 HG13 VAL 8 3HG1 VAL 8 2.364 5.351 0.715 69 HG21 VAL 8 3HG2 VAL 8 -0.865 6.981 1.763 70 HG22 VAL 8 1HG2 VAL 8 -0.367 5.301 2.156 71 HG23 VAL 8 2HG2 VAL 8 0.818 6.644 2.290 72 H THR 9 H THR 9 3.252 7.272 -1.362 73 HA THR 9 HA THR 9 2.345 7.309 -4.102 74 HB THR 9 HB THR 9 5.143 7.206 -2.854 75 HG1 THR 9 HG1 THR 9 5.148 9.457 -3.569 76 HG21 THR 9 3HG2 THR 9 4.264 7.669 -5.748 77 HG22 THR 9 1HG2 THR 9 5.942 7.810 -5.122 78 HG23 THR 9 2HG2 THR 9 5.113 6.217 -5.117 79 H VAL 10 H VAL 10 1.961 5.462 -5.290 80 HA VAL 10 HA VAL 10 2.888 2.953 -4.124 81 HB VAL 10 HB VAL 10 0.889 3.468 -6.385 82 HG11 VAL 10 1HG1 VAL 10 0.200 1.127 -5.961 83 HG12 VAL 10 2HG1 VAL 10 1.920 1.236 -6.467 84 HG13 VAL 10 3HG1 VAL 10 1.507 0.969 -4.740 85 HG21 VAL 10 3HG2 VAL 10 0.101 4.430 -4.265 86 HG22 VAL 10 1HG2 VAL 10 -0.847 2.966 -4.695 87 HG23 VAL 10 2HG2 VAL 10 0.421 2.874 -3.426 88 H LYS 11 H LYS 11 4.744 2.038 -4.947 89 HA LYS 11 HA LYS 11 5.556 2.909 -7.640 90 HB2 LYS 11 2HB LYS 11 7.145 1.818 -5.268 91 HB3 LYS 11 3HB LYS 11 7.833 2.160 -6.861 92 HG2 LYS 11 2HG LYS 11 7.144 4.570 -6.605 93 HG3 LYS 11 3HG LYS 11 6.553 4.203 -4.979 94 HD2 LYS 11 2HD LYS 11 8.853 3.411 -4.340 95 HD3 LYS 11 3HD LYS 11 9.434 3.831 -5.957 96 HE2 LYS 11 2HE LYS 11 8.690 6.218 -5.556 97 HE3 LYS 11 3HE LYS 11 8.235 5.768 -3.908 98 HZ1 LYS 11 3HZ LYS 11 10.926 5.818 -5.081 99 HZ2 LYS 11 1HZ LYS 11 10.379 6.603 -3.758 100 HZ3 LYS 11 2HZ LYS 11 10.620 4.988 -3.709 101 H PHE 12 H PHE 12 5.018 1.396 -9.214 102 HA PHE 12 HA PHE 12 5.787 -1.378 -8.587 103 HB2 PHE 12 2HB PHE 12 4.137 -0.122 -10.831 104 HB3 PHE 12 3HB PHE 12 4.686 -1.803 -10.859 105 HD1 PHE 12 HD1 PHE 12 3.804 -3.443 -9.225 106 HD2 PHE 12 HD2 PHE 12 2.343 0.593 -9.372 107 HE1 PHE 12 HE1 PHE 12 1.824 -4.112 -7.899 108 HE2 PHE 12 HE2 PHE 12 0.361 -0.077 -8.049 109 HZ PHE 12 HZ PHE 12 0.097 -2.429 -7.310 110 HA PRO 13 HA PRO 13 9.460 -1.133 -11.004 111 HB2 PRO 13 2HB PRO 13 9.299 -3.512 -12.484 112 HB3 PRO 13 3HB PRO 13 9.734 -3.498 -10.770 113 HG2 PRO 13 2HG PRO 13 7.024 -4.004 -12.045 114 HG3 PRO 13 3HG PRO 13 7.822 -4.899 -10.746 115 HD2 PRO 13 2HD PRO 13 5.900 -3.100 -10.142 116 HD3 PRO 13 3HD PRO 13 7.330 -3.224 -9.109 117 H SER 14 H SER 14 6.353 -1.403 -12.681 118 HA SER 14 HA SER 14 7.741 -0.542 -15.146 119 HB2 SER 14 2HB SER 14 5.907 -1.623 -16.360 120 HB3 SER 14 3HB SER 14 6.746 -2.786 -15.325 121 HG SER 14 HG SER 14 4.443 -2.976 -15.186 122 H LYS 15 H LYS 15 5.552 0.364 -12.605 123 HA LYS 15 HA LYS 15 4.815 2.749 -14.073 124 HB2 LYS 15 2HB LYS 15 2.419 2.458 -13.755 125 HB3 LYS 15 3HB LYS 15 3.059 1.138 -14.744 126 HG2 LYS 15 2HG LYS 15 3.128 -0.292 -12.626 127 HG3 LYS 15 3HG LYS 15 2.273 1.013 -11.794 128 HD2 LYS 15 2HD LYS 15 1.256 -0.375 -14.330 129 HD3 LYS 15 3HD LYS 15 0.764 -0.814 -12.689 130 HE2 LYS 15 2HE LYS 15 -0.028 1.572 -12.343 131 HE3 LYS 15 3HE LYS 15 0.357 1.907 -14.037 132 HZ1 LYS 15 3HZ LYS 15 -1.670 0.046 -13.001 133 HZ2 LYS 15 1HZ LYS 15 -1.893 1.351 -13.957 134 HZ3 LYS 15 2HZ LYS 15 -1.179 0.010 -14.558 135 H GLN 16 H GLN 16 3.792 4.394 -12.609 136 HA GLN 16 HA GLN 16 3.788 3.636 -9.782 137 HB2 GLN 16 2HB GLN 16 5.235 6.050 -10.980 138 HB3 GLN 16 3HB GLN 16 4.885 5.856 -9.257 139 HG2 GLN 16 2HG GLN 16 6.235 3.731 -9.261 140 HG3 GLN 16 3HG GLN 16 6.640 4.023 -10.958 141 HE21 GLN 16 1HE2 GLN 16 8.831 3.851 -9.732 142 HE22 GLN 16 2HE2 GLN 16 9.536 5.355 -9.238 143 H PHE 17 H PHE 17 2.285 4.881 -8.498 144 HA PHE 17 HA PHE 17 1.074 7.225 -9.605 145 HB2 PHE 17 2HB PHE 17 -1.239 6.348 -9.608 146 HB3 PHE 17 3HB PHE 17 -0.235 5.577 -10.843 147 HD1 PHE 17 HD1 PHE 17 -1.929 5.100 -7.585 148 HD2 PHE 17 HD2 PHE 17 0.328 3.224 -10.723 149 HE1 PHE 17 HE1 PHE 17 -2.534 2.874 -6.690 150 HE2 PHE 17 HE2 PHE 17 -0.283 0.998 -9.830 151 HZ PHE 17 HZ PHE 17 -1.714 0.819 -7.810 152 H THR 18 H THR 18 -0.686 8.072 -8.018 153 HA THR 18 HA THR 18 0.270 7.370 -5.332 154 HB THR 18 HB THR 18 -0.362 9.702 -4.711 155 HG1 THR 18 HG1 THR 18 -0.857 11.178 -6.488 156 HG21 THR 18 3HG2 THR 18 1.494 9.512 -7.134 157 HG22 THR 18 1HG2 THR 18 1.454 10.855 -5.942 158 HG23 THR 18 2HG2 THR 18 1.949 9.208 -5.423 159 H VAL 19 H VAL 19 -1.299 7.301 -3.571 160 HA VAL 19 HA VAL 19 -4.094 7.429 -4.464 161 HB VAL 19 HB VAL 19 -4.598 5.554 -2.892 162 HG11 VAL 19 1HG1 VAL 19 -3.667 3.737 -4.294 163 HG12 VAL 19 2HG1 VAL 19 -4.281 5.101 -5.288 164 HG13 VAL 19 3HG1 VAL 19 -2.515 4.902 -5.030 165 HG21 VAL 19 3HG2 VAL 19 -2.680 5.814 -1.379 166 HG22 VAL 19 1HG2 VAL 19 -2.746 4.148 -2.044 167 HG23 VAL 19 2HG2 VAL 19 -1.559 5.327 -2.695 168 H GLU 20 H GLU 20 -5.651 7.871 -2.627 169 HA GLU 20 HA GLU 20 -4.293 9.419 -0.511 170 HB2 GLU 20 2HB GLU 20 -5.594 10.794 -2.111 171 HB3 GLU 20 3HB GLU 20 -7.029 9.803 -1.819 172 HG2 GLU 20 2HG GLU 20 -7.032 10.525 0.577 173 HG3 GLU 20 3HG GLU 20 -5.608 11.529 0.271 174 H VAL 21 H VAL 21 -4.561 8.688 1.564 175 HA VAL 21 HA VAL 21 -6.883 6.981 2.077 176 HB VAL 21 HB VAL 21 -5.413 5.455 3.410 177 HG11 VAL 21 1HG1 VAL 21 -4.399 4.281 1.482 178 HG12 VAL 21 2HG1 VAL 21 -6.060 4.858 1.116 179 HG13 VAL 21 3HG1 VAL 21 -4.638 5.746 0.470 180 HG21 VAL 21 3HG2 VAL 21 -3.567 7.016 3.849 181 HG22 VAL 21 1HG2 VAL 21 -2.965 5.523 3.053 182 HG23 VAL 21 2HG2 VAL 21 -3.150 7.035 2.102 183 H ASP 22 H ASP 22 -7.075 6.578 4.586 184 HA ASP 22 HA ASP 22 -6.669 9.156 5.883 185 HB2 ASP 22 2HB ASP 22 -8.194 6.624 6.652 186 HB3 ASP 22 3HB ASP 22 -8.078 8.058 7.681 187 H ARG 23 H ARG 23 -5.446 9.465 7.798 188 HA ARG 23 HA ARG 23 -3.155 7.818 7.941 189 HB2 ARG 23 2HB ARG 23 -3.077 10.205 8.370 190 HB3 ARG 23 3HB ARG 23 -4.132 10.019 9.777 191 HG2 ARG 23 2HG ARG 23 -2.435 8.699 10.941 192 HG3 ARG 23 3HG ARG 23 -1.395 8.704 9.511 193 HD2 ARG 23 2HD ARG 23 -1.032 11.058 9.681 194 HD3 ARG 23 3HD ARG 23 -2.263 11.217 10.942 195 HE ARG 23 HE ARG 23 -0.264 9.408 11.838 196 HH11 ARG 23 1HH1 ARG 23 -0.639 12.827 11.113 197 HH12 ARG 23 2HH1 ARG 23 0.543 13.321 12.279 198 HH21 ARG 23 1HH2 ARG 23 1.255 10.055 13.318 199 HH22 ARG 23 2HH2 ARG 23 1.632 11.731 13.545 200 H THR 24 H THR 24 -6.258 7.883 9.741 201 HA THR 24 HA THR 24 -5.112 6.268 11.852 202 HB THR 24 HB THR 24 -7.359 6.460 12.882 203 HG1 THR 24 HG1 THR 24 -8.954 7.798 11.764 204 HG21 THR 24 3HG2 THR 24 -6.306 9.108 11.769 205 HG22 THR 24 1HG2 THR 24 -7.387 8.920 13.191 206 HG23 THR 24 2HG2 THR 24 -5.715 8.267 13.242 207 H GLU 25 H GLU 25 -6.344 5.674 8.733 208 HA GLU 25 HA GLU 25 -7.858 3.305 9.425 209 HB2 GLU 25 2HB GLU 25 -8.416 4.823 7.495 210 HB3 GLU 25 3HB GLU 25 -6.888 4.367 6.729 211 HG2 GLU 25 2HG GLU 25 -8.796 3.106 5.787 212 HG3 GLU 25 3HG GLU 25 -7.618 2.028 6.546 213 H THR 26 H THR 26 -7.275 1.122 8.589 214 HA THR 26 HA THR 26 -4.493 0.641 9.125 215 HB THR 26 HB THR 26 -5.141 -1.752 8.943 216 HG1 THR 26 HG1 THR 26 -7.522 -2.129 8.651 217 HG21 THR 26 3HG2 THR 26 -7.121 -0.065 10.552 218 HG22 THR 26 1HG2 THR 26 -6.758 -1.803 10.820 219 HG23 THR 26 2HG2 THR 26 -5.481 -0.568 11.082 220 H VAL 27 H VAL 27 -3.392 -1.162 7.629 221 HA VAL 27 HA VAL 27 -3.001 0.142 5.170 222 HB VAL 27 HB VAL 27 -1.489 -1.754 4.668 223 HG11 VAL 27 1HG1 VAL 27 0.019 -1.521 6.618 224 HG12 VAL 27 2HG1 VAL 27 -0.689 0.055 6.127 225 HG13 VAL 27 3HG1 VAL 27 -1.328 -0.807 7.567 226 HG21 VAL 27 3HG2 VAL 27 -2.878 -3.582 5.548 227 HG22 VAL 27 1HG2 VAL 27 -1.241 -3.613 6.285 228 HG23 VAL 27 2HG2 VAL 27 -2.635 -2.977 7.222 229 H SER 28 H SER 28 -5.312 -2.304 6.209 230 HA SER 28 HA SER 28 -5.545 -3.778 3.830 231 HB2 SER 28 2HB SER 28 -7.626 -4.542 4.772 232 HB3 SER 28 3HB SER 28 -6.448 -4.397 6.084 233 HG SER 28 HG SER 28 -7.412 -2.481 6.764 234 H SER 29 H SER 29 -6.896 -0.587 4.825 235 HA SER 29 HA SER 29 -8.611 -0.363 2.556 236 HB2 SER 29 2HB SER 29 -8.887 0.965 4.617 237 HB3 SER 29 3HB SER 29 -7.301 1.710 4.374 238 HG SER 29 HG SER 29 -9.033 3.046 3.620 239 H LEU 30 H LEU 30 -5.160 0.534 3.247 240 HA LEU 30 HA LEU 30 -4.768 2.030 0.905 241 HB2 LEU 30 2HB LEU 30 -3.244 2.098 2.817 242 HB3 LEU 30 3HB LEU 30 -2.882 0.375 2.648 243 HG LEU 30 HG LEU 30 -1.808 0.829 0.427 244 HD11 LEU 30 1HD1 LEU 30 -1.345 3.165 -0.216 245 HD12 LEU 30 2HD1 LEU 30 -3.108 2.828 -0.179 246 HD13 LEU 30 3HD1 LEU 30 -2.341 3.744 1.162 247 HD21 LEU 30 3HD2 LEU 30 -0.481 0.767 2.508 248 HD22 LEU 30 1HD2 LEU 30 0.182 1.971 1.352 249 HD23 LEU 30 2HD2 LEU 30 -0.787 2.519 2.762 250 H LYS 31 H LYS 31 -4.294 -1.524 1.587 251 HA LYS 31 HA LYS 31 -3.195 -2.020 -0.985 252 HB2 LYS 31 2HB LYS 31 -3.241 -4.306 -0.336 253 HB3 LYS 31 3HB LYS 31 -2.869 -3.388 1.129 254 HG2 LYS 31 2HG LYS 31 -5.299 -3.556 1.799 255 HG3 LYS 31 3HG LYS 31 -5.589 -4.568 0.378 256 HD2 LYS 31 2HD LYS 31 -3.829 -6.181 1.216 257 HD3 LYS 31 3HD LYS 31 -3.656 -5.192 2.672 258 HE2 LYS 31 2HE LYS 31 -6.094 -5.531 3.174 259 HE3 LYS 31 3HE LYS 31 -6.238 -6.550 1.736 260 HZ1 LYS 31 3HZ LYS 31 -4.714 -7.099 4.184 261 HZ2 LYS 31 1HZ LYS 31 -5.890 -7.998 3.495 262 HZ3 LYS 31 2HZ LYS 31 -4.413 -7.915 2.803 263 H ASP 32 H ASP 32 -6.535 -2.083 0.390 264 HA ASP 32 HA ASP 32 -7.766 -3.411 -1.742 265 HB2 ASP 32 2HB ASP 32 -8.798 -2.930 0.474 266 HB3 ASP 32 3HB ASP 32 -8.820 -1.203 0.091 267 H LYS 33 H LYS 33 -7.054 0.129 -1.222 268 HA LYS 33 HA LYS 33 -8.416 0.940 -3.569 269 HB2 LYS 33 2HB LYS 33 -6.296 2.201 -1.780 270 HB3 LYS 33 3HB LYS 33 -6.942 3.029 -3.203 271 HG2 LYS 33 2HG LYS 33 -9.215 2.972 -2.262 272 HG3 LYS 33 3HG LYS 33 -8.657 2.015 -0.883 273 HD2 LYS 33 2HD LYS 33 -7.155 3.874 -0.177 274 HD3 LYS 33 3HD LYS 33 -7.659 4.829 -1.578 275 HE2 LYS 33 2HE LYS 33 -9.935 5.002 -0.765 276 HE3 LYS 33 3HE LYS 33 -9.662 3.771 0.475 277 HZ1 LYS 33 3HZ LYS 33 -8.135 6.282 0.452 278 HZ2 LYS 33 1HZ LYS 33 -9.590 6.170 1.185 279 HZ3 LYS 33 2HZ LYS 33 -8.347 5.239 1.690 280 H ILE 34 H ILE 34 -4.944 0.091 -2.863 281 HA ILE 34 HA ILE 34 -3.997 0.617 -5.430 282 HB ILE 34 HB ILE 34 -3.177 -1.440 -3.321 283 HG12 ILE 34 2HG1 ILE 34 -1.818 1.155 -4.173 284 HG13 ILE 34 3HG1 ILE 34 -3.004 1.077 -2.864 285 HG21 ILE 34 1HG2 ILE 34 -1.060 -1.660 -4.578 286 HG22 ILE 34 2HG2 ILE 34 -2.470 -2.223 -5.538 287 HG23 ILE 34 3HG2 ILE 34 -1.731 -0.623 -5.882 288 HD11 ILE 34 3HD1 ILE 34 -0.368 -0.457 -2.976 289 HD12 ILE 34 1HD1 ILE 34 -0.713 1.003 -1.988 290 HD13 ILE 34 2HD1 ILE 34 -1.572 -0.537 -1.646 291 H HIS 35 H HIS 35 -5.712 -2.259 -4.035 292 HA HIS 35 HA HIS 35 -5.344 -3.910 -6.293 293 HB2 HIS 35 2HB HIS 35 -5.969 -4.949 -4.245 294 HB3 HIS 35 3HB HIS 35 -7.304 -3.823 -3.969 295 HD2 HIS 35 HD2 HIS 35 -9.734 -4.846 -4.704 296 HE1 HIS 35 HE1 HIS 35 -8.313 -7.887 -7.359 297 H ILE 36 H ILE 36 -7.831 -1.424 -5.415 298 HA ILE 36 HA ILE 36 -9.613 -2.044 -7.472 299 HB ILE 36 HB ILE 36 -8.987 0.529 -5.953 300 HG12 ILE 36 2HG1 ILE 36 -11.423 -1.305 -5.870 301 HG13 ILE 36 3HG1 ILE 36 -10.028 -1.491 -4.799 302 HG21 ILE 36 1HG2 ILE 36 -11.075 1.455 -6.897 303 HG22 ILE 36 2HG2 ILE 36 -9.847 1.143 -8.170 304 HG23 ILE 36 3HG2 ILE 36 -11.229 0.015 -7.960 305 HD11 ILE 36 3HD1 ILE 36 -11.810 0.978 -4.991 306 HD12 ILE 36 1HD1 ILE 36 -11.836 -0.259 -3.690 307 HD13 ILE 36 2HD1 ILE 36 -10.393 0.790 -3.904 308 H VAL 37 H VAL 37 -6.667 0.080 -7.373 309 HA VAL 37 HA VAL 37 -7.093 1.176 -9.937 310 HB VAL 37 HB VAL 37 -4.590 0.833 -8.210 311 HG11 VAL 37 1HG1 VAL 37 -3.525 2.494 -9.698 312 HG12 VAL 37 2HG1 VAL 37 -3.943 0.982 -10.573 313 HG13 VAL 37 3HG1 VAL 37 -4.963 2.447 -10.774 314 HG21 VAL 37 3HG2 VAL 37 -6.317 2.289 -7.254 315 HG22 VAL 37 1HG2 VAL 37 -4.894 3.248 -7.785 316 HG23 VAL 37 2HG2 VAL 37 -6.388 3.231 -8.781 317 H GLU 38 H GLU 38 -5.315 -1.748 -8.717 318 HA GLU 38 HA GLU 38 -4.409 -2.295 -11.443 319 HB2 GLU 38 2HB GLU 38 -3.839 -3.599 -8.738 320 HB3 GLU 38 3HB GLU 38 -3.188 -4.181 -10.275 321 HG2 GLU 38 2HG GLU 38 -2.683 -1.409 -9.086 322 HG3 GLU 38 3HG GLU 38 -1.568 -2.778 -8.997 323 H ASN 39 H ASN 39 -4.398 -4.960 -11.752 324 HA ASN 39 HA ASN 39 -7.161 -5.804 -11.180 325 HB2 ASN 39 2HB ASN 39 -5.474 -6.295 -13.663 326 HB3 ASN 39 3HB ASN 39 -6.994 -7.127 -13.309 327 HD21 ASN 39 1HD2 ASN 39 -5.575 -4.529 -14.819 328 HD22 ASN 39 2HD2 ASN 39 -7.007 -3.614 -15.155 329 H THR 40 H THR 40 -4.575 -6.237 -9.621 330 HA THR 40 HA THR 40 -4.407 -9.149 -9.955 331 HB THR 40 HB THR 40 -2.487 -7.168 -8.623 332 HG1 THR 40 HG1 THR 40 -2.117 -8.904 -10.929 333 HG21 THR 40 3HG2 THR 40 -2.287 -10.199 -8.980 334 HG22 THR 40 1HG2 THR 40 -0.997 -9.127 -8.337 335 HG23 THR 40 2HG2 THR 40 -2.534 -9.327 -7.429 336 HA PRO 41 HA PRO 41 -6.874 -9.498 -6.275 337 HB2 PRO 41 2HB PRO 41 -5.290 -12.107 -6.069 338 HB3 PRO 41 3HB PRO 41 -7.041 -11.875 -5.967 339 HG2 PRO 41 2HG PRO 41 -5.992 -12.873 -8.202 340 HG3 PRO 41 3HG PRO 41 -7.290 -11.677 -8.317 341 HD2 PRO 41 2HD PRO 41 -4.312 -11.307 -8.768 342 HD3 PRO 41 3HD PRO 41 -5.668 -10.571 -9.631 343 H ILE 42 H ILE 42 -6.742 -9.130 -4.103 344 HA ILE 42 HA ILE 42 -4.374 -7.997 -3.206 345 HB ILE 42 HB ILE 42 -6.857 -9.029 -1.758 346 HG12 ILE 42 2HG1 ILE 42 -5.856 -6.192 -2.276 347 HG13 ILE 42 3HG1 ILE 42 -6.986 -7.043 -3.337 348 HG21 ILE 42 1HG2 ILE 42 -6.064 -7.797 0.232 349 HG22 ILE 42 2HG2 ILE 42 -4.962 -9.146 -0.202 350 HG23 ILE 42 3HG2 ILE 42 -4.511 -7.455 -0.603 351 HD11 ILE 42 3HD1 ILE 42 -7.455 -6.385 -0.394 352 HD12 ILE 42 1HD1 ILE 42 -8.173 -5.538 -1.805 353 HD13 ILE 42 2HD1 ILE 42 -8.603 -7.249 -1.471 354 H LYS 43 H LYS 43 -5.688 -11.352 -2.864 355 HA LYS 43 HA LYS 43 -3.871 -12.165 -0.865 356 HB2 LYS 43 2HB LYS 43 -5.457 -13.676 -2.993 357 HB3 LYS 43 3HB LYS 43 -4.495 -14.478 -1.744 358 HG2 LYS 43 2HG LYS 43 -5.885 -13.411 0.025 359 HG3 LYS 43 3HG LYS 43 -6.838 -12.584 -1.214 360 HD2 LYS 43 2HD LYS 43 -7.538 -14.783 -2.160 361 HD3 LYS 43 3HD LYS 43 -6.562 -15.625 -0.950 362 HE2 LYS 43 2HE LYS 43 -7.923 -14.599 0.874 363 HE3 LYS 43 3HE LYS 43 -8.891 -13.733 -0.327 364 HZ1 LYS 43 3HZ LYS 43 -8.692 -16.668 -0.098 365 HZ2 LYS 43 1HZ LYS 43 -9.959 -15.755 0.379 366 HZ3 LYS 43 2HZ LYS 43 -9.585 -15.869 -1.207 367 H ARG 44 H ARG 44 -3.474 -11.555 -4.313 368 HA ARG 44 HA ARG 44 -1.063 -13.220 -4.345 369 HB2 ARG 44 2HB ARG 44 -2.540 -11.854 -6.610 370 HB3 ARG 44 3HB ARG 44 -1.065 -12.816 -6.770 371 HG2 ARG 44 2HG ARG 44 -3.715 -13.866 -5.689 372 HG3 ARG 44 3HG ARG 44 -3.171 -14.033 -7.363 373 HD2 ARG 44 2HD ARG 44 -1.230 -15.318 -6.619 374 HD3 ARG 44 3HD ARG 44 -1.738 -15.128 -4.935 375 HE ARG 44 HE ARG 44 -3.857 -16.319 -6.405 376 HH11 ARG 44 1HH1 ARG 44 -0.620 -17.098 -5.279 377 HH12 ARG 44 2HH1 ARG 44 -0.956 -18.791 -5.129 378 HH21 ARG 44 1HH2 ARG 44 -4.268 -18.491 -6.222 379 HH22 ARG 44 2HH2 ARG 44 -3.049 -19.592 -5.671 380 H MET 45 H MET 45 -2.219 -9.818 -4.492 381 HA MET 45 HA MET 45 0.319 -8.796 -5.341 382 HB2 MET 45 2HB MET 45 -1.901 -7.706 -5.761 383 HB3 MET 45 3HB MET 45 -2.075 -7.430 -4.022 384 HG2 MET 45 2HG MET 45 0.009 -6.031 -4.062 385 HG3 MET 45 3HG MET 45 0.114 -6.270 -5.812 386 HE1 MET 45 3HE MET 45 -2.176 -3.610 -3.207 387 HE2 MET 45 1HE MET 45 -3.486 -4.760 -3.639 388 HE3 MET 45 2HE MET 45 -1.958 -5.368 -2.917 389 H GLN 46 H GLN 46 2.053 -8.072 -4.118 390 HA GLN 46 HA GLN 46 1.751 -8.384 -1.207 391 HB2 GLN 46 2HB GLN 46 3.466 -9.798 -2.368 392 HB3 GLN 46 3HB GLN 46 4.248 -8.333 -2.978 393 HG2 GLN 46 2HG GLN 46 4.767 -7.610 -0.681 394 HG3 GLN 46 3HG GLN 46 3.901 -9.003 -0.019 395 HE21 GLN 46 1HE2 GLN 46 6.162 -9.171 0.992 396 HE22 GLN 46 2HE2 GLN 46 7.316 -10.153 0.153 397 H LEU 47 H LEU 47 2.161 -6.647 0.181 398 HA LEU 47 HA LEU 47 2.716 -4.089 -1.194 399 HB2 LEU 47 2HB LEU 47 0.425 -4.166 -0.415 400 HB3 LEU 47 3HB LEU 47 0.913 -4.809 1.159 401 HG LEU 47 HG LEU 47 2.079 -2.638 1.665 402 HD11 LEU 47 1HD1 LEU 47 1.638 -0.694 0.214 403 HD12 LEU 47 2HD1 LEU 47 2.564 -1.966 -0.651 404 HD13 LEU 47 3HD1 LEU 47 0.809 -1.762 -0.969 405 HD21 LEU 47 3HD2 LEU 47 -0.237 -3.065 2.401 406 HD22 LEU 47 1HD2 LEU 47 0.002 -1.335 1.985 407 HD23 LEU 47 2HD2 LEU 47 -0.857 -2.423 0.843 408 H TYR 48 H TYR 48 4.678 -3.224 -0.680 409 HA TYR 48 HA TYR 48 5.692 -3.776 2.038 410 HB2 TYR 48 2HB TYR 48 7.059 -4.992 0.464 411 HB3 TYR 48 3HB TYR 48 7.128 -3.620 -0.649 412 HD1 TYR 48 HD1 TYR 48 8.236 -4.795 2.725 413 HD2 TYR 48 HD2 TYR 48 8.812 -1.952 -0.437 414 HE1 TYR 48 HE1 TYR 48 10.330 -4.029 3.802 415 HE2 TYR 48 HE2 TYR 48 10.903 -1.177 0.635 416 HH TYR 48 HH TYR 48 12.429 -1.590 2.222 417 H TYR 49 H TYR 49 6.502 -2.011 3.214 418 HA TYR 49 HA TYR 49 6.365 0.588 1.818 419 HB2 TYR 49 2HB TYR 49 4.704 0.651 3.491 420 HB3 TYR 49 3HB TYR 49 5.662 -0.307 4.629 421 HD1 TYR 49 HD1 TYR 49 5.868 2.989 2.799 422 HD2 TYR 49 HD2 TYR 49 6.657 0.809 6.410 423 HE1 TYR 49 HE1 TYR 49 6.667 5.071 3.875 424 HE2 TYR 49 HE2 TYR 49 7.453 2.887 7.494 425 HH TYR 49 HH TYR 49 6.837 5.601 6.960 426 H SER 50 H SER 50 8.199 1.875 1.804 427 HA SER 50 HA SER 50 10.704 1.193 2.126 428 HB2 SER 50 2HB SER 50 9.917 3.477 1.605 429 HB3 SER 50 3HB SER 50 9.454 3.721 3.294 430 HG SER 50 HG SER 50 11.529 4.623 2.806 431 H GLY 51 H GLY 51 11.483 -0.327 3.590 432 HA2 GLY 51 2HA GLY 51 12.666 -0.523 5.597 433 HA3 GLY 51 3HA GLY 51 11.563 0.622 6.370 434 H ILE 52 H ILE 52 9.216 -0.141 6.707 435 HA ILE 52 HA ILE 52 9.359 -2.943 7.527 436 HB ILE 52 HB ILE 52 7.457 -0.678 8.314 437 HG12 ILE 52 2HG1 ILE 52 9.597 -2.113 9.952 438 HG13 ILE 52 3HG1 ILE 52 9.858 -0.567 9.133 439 HG21 ILE 52 1HG2 ILE 52 6.615 -2.255 10.024 440 HG22 ILE 52 2HG2 ILE 52 6.320 -2.857 8.358 441 HG23 ILE 52 3HG2 ILE 52 7.656 -3.548 9.339 442 HD11 ILE 52 3HD1 ILE 52 7.780 -1.106 11.304 443 HD12 ILE 52 1HD1 ILE 52 9.336 -0.233 11.508 444 HD13 ILE 52 2HD1 ILE 52 8.045 0.464 10.472 445 H GLU 53 H GLU 53 8.060 -4.517 6.586 446 HA GLU 53 HA GLU 53 6.518 -3.788 4.285 447 HB2 GLU 53 2HB GLU 53 7.862 -5.896 4.516 448 HB3 GLU 53 3HB GLU 53 6.761 -6.437 5.790 449 HG2 GLU 53 2HG GLU 53 4.873 -6.454 4.188 450 HG3 GLU 53 3HG GLU 53 5.928 -5.838 2.909 451 H LEU 54 H LEU 54 4.271 -3.681 4.037 452 HA LEU 54 HA LEU 54 2.854 -3.244 6.535 453 HB2 LEU 54 2HB LEU 54 1.969 -2.934 3.625 454 HB3 LEU 54 3HB LEU 54 1.100 -2.349 5.050 455 HG LEU 54 HG LEU 54 3.834 -1.360 4.082 456 HD11 LEU 54 1HD1 LEU 54 2.610 0.733 3.624 457 HD12 LEU 54 2HD1 LEU 54 1.948 -0.640 2.674 458 HD13 LEU 54 3HD1 LEU 54 1.076 -0.051 4.129 459 HD21 LEU 54 3HD2 LEU 54 3.653 -1.343 6.543 460 HD22 LEU 54 1HD2 LEU 54 3.597 0.324 5.878 461 HD23 LEU 54 2HD2 LEU 54 2.085 -0.475 6.428 462 H ALA 55 H ALA 55 3.040 -5.695 7.069 463 HA ALA 55 HA ALA 55 1.413 -7.362 5.303 464 HB1 ALA 55 3HB ALA 55 3.251 -8.015 7.658 465 HB2 ALA 55 1HB ALA 55 2.410 -9.216 6.621 466 HB3 ALA 55 2HB ALA 55 3.667 -8.144 5.916 467 H ASP 56 H ASP 56 1.217 -5.672 8.390 468 HA ASP 56 HA ASP 56 -0.654 -7.612 9.482 469 HB2 ASP 56 2HB ASP 56 1.127 -6.580 10.890 470 HB3 ASP 56 3HB ASP 56 0.451 -4.977 10.573 471 H ASP 57 H ASP 57 -2.805 -7.498 8.965 472 HA ASP 57 HA ASP 57 -3.789 -5.304 7.473 473 HB2 ASP 57 2HB ASP 57 -5.045 -7.747 8.787 474 HB3 ASP 57 3HB ASP 57 -6.022 -6.540 7.941 475 H TYR 58 H TYR 58 -3.677 -6.022 10.966 476 HA TYR 58 HA TYR 58 -5.944 -4.234 11.442 477 HB2 TYR 58 2HB TYR 58 -4.359 -6.119 13.256 478 HB3 TYR 58 3HB TYR 58 -5.708 -5.110 13.793 479 HD1 TYR 58 HD1 TYR 58 -8.020 -5.522 12.836 480 HD2 TYR 58 HD2 TYR 58 -4.739 -8.199 12.131 481 HE1 TYR 58 HE1 TYR 58 -9.615 -7.300 12.184 482 HE2 TYR 58 HE2 TYR 58 -6.329 -9.980 11.471 483 HH TYR 58 HH TYR 58 -9.880 -9.382 11.496 484 H ARG 59 H ARG 59 -2.488 -4.122 11.281 485 HA ARG 59 HA ARG 59 -2.214 -2.093 13.309 486 HB2 ARG 59 2HB ARG 59 -0.393 -3.647 12.831 487 HB3 ARG 59 3HB ARG 59 -0.296 -3.052 11.168 488 HG2 ARG 59 2HG ARG 59 0.400 -0.847 11.927 489 HG3 ARG 59 3HG ARG 59 0.121 -1.288 13.617 490 HD2 ARG 59 2HD ARG 59 1.904 -2.927 13.524 491 HD3 ARG 59 3HD ARG 59 2.145 -2.610 11.801 492 HE ARG 59 HE ARG 59 2.455 -0.167 13.187 493 HH11 ARG 59 1HH1 ARG 59 4.066 -3.284 12.961 494 HH12 ARG 59 2HH1 ARG 59 5.635 -2.625 13.283 495 HH21 ARG 59 1HH2 ARG 59 4.470 0.660 13.607 496 HH22 ARG 59 2HH2 ARG 59 5.868 -0.362 13.654 497 H ASN 60 H ASN 60 -2.153 0.154 13.027 498 HA ASN 60 HA ASN 60 -3.627 0.978 10.702 499 HB2 ASN 60 2HB ASN 60 -2.625 2.440 13.172 500 HB3 ASN 60 3HB ASN 60 -3.531 3.224 11.871 501 HD21 ASN 60 1HD2 ASN 60 -3.817 1.979 14.836 502 HD22 ASN 60 2HD2 ASN 60 -5.501 1.576 14.828 503 H LEU 61 H LEU 61 -2.991 2.838 9.312 504 HA LEU 61 HA LEU 61 -0.369 2.682 8.348 505 HB2 LEU 61 2HB LEU 61 -2.546 4.814 8.120 506 HB3 LEU 61 3HB LEU 61 -1.021 4.887 7.228 507 HG LEU 61 HG LEU 61 -2.990 2.552 7.006 508 HD11 LEU 61 1HD1 LEU 61 -3.673 3.574 4.867 509 HD12 LEU 61 2HD1 LEU 61 -4.049 4.645 6.259 510 HD13 LEU 61 3HD1 LEU 61 -2.633 4.997 5.212 511 HD21 LEU 61 3HD2 LEU 61 -0.645 2.043 6.424 512 HD22 LEU 61 1HD2 LEU 61 -1.687 2.064 4.961 513 HD23 LEU 61 2HD2 LEU 61 -0.609 3.456 5.315 514 H ASN 62 H ASN 62 -1.921 5.058 10.648 515 HA ASN 62 HA ASN 62 0.305 6.642 11.071 516 HB2 ASN 62 2HB ASN 62 -1.997 7.045 11.933 517 HB3 ASN 62 3HB ASN 62 -1.769 5.741 13.106 518 HD21 ASN 62 1HD2 ASN 62 -1.968 6.995 14.884 519 HD22 ASN 62 2HD2 ASN 62 -0.749 8.115 15.392 520 H GLU 63 H GLU 63 -0.588 3.449 12.581 521 HA GLU 63 HA GLU 63 1.493 3.529 14.490 522 HB2 GLU 63 2HB GLU 63 -0.212 1.313 13.277 523 HB3 GLU 63 3HB GLU 63 1.029 0.983 14.494 524 HG2 GLU 63 2HG GLU 63 -0.118 2.395 16.134 525 HG3 GLU 63 3HG GLU 63 -1.284 2.937 14.920 526 H TYR 64 H TYR 64 1.359 2.540 11.048 527 HA TYR 64 HA TYR 64 3.841 1.101 11.186 528 HB2 TYR 64 2HB TYR 64 1.790 1.848 9.143 529 HB3 TYR 64 3HB TYR 64 3.443 1.701 8.531 530 HD1 TYR 64 HD1 TYR 64 4.725 -0.504 9.490 531 HD2 TYR 64 HD2 TYR 64 0.474 -0.065 9.084 532 HE1 TYR 64 HE1 TYR 64 4.480 -2.967 9.414 533 HE2 TYR 64 HE2 TYR 64 0.222 -2.526 9.008 534 HH TYR 64 HH TYR 64 3.101 -4.680 9.242 535 H GLY 65 H GLY 65 2.934 4.486 11.029 536 HA2 GLY 65 2HA GLY 65 4.424 6.243 11.070 537 HA3 GLY 65 3HA GLY 65 5.713 5.186 10.477 538 H ILE 66 H ILE 66 2.464 5.323 8.916 539 HA ILE 66 HA ILE 66 3.811 5.956 6.454 540 HB ILE 66 HB ILE 66 0.859 5.447 7.090 541 HG12 ILE 66 2HG1 ILE 66 2.266 3.502 7.582 542 HG13 ILE 66 3HG1 ILE 66 1.265 3.207 6.154 543 HG21 ILE 66 1HG2 ILE 66 0.621 5.086 4.657 544 HG22 ILE 66 2HG2 ILE 66 1.142 6.762 5.038 545 HG23 ILE 66 3HG2 ILE 66 2.335 5.569 4.422 546 HD11 ILE 66 3HD1 ILE 66 4.214 3.993 6.132 547 HD12 ILE 66 1HD1 ILE 66 3.543 2.355 5.828 548 HD13 ILE 66 2HD1 ILE 66 3.197 3.694 4.682 549 H THR 67 H THR 67 4.070 8.030 5.668 550 HA THR 67 HA THR 67 2.459 10.085 7.007 551 HB THR 67 HB THR 67 4.316 11.615 6.608 552 HG1 THR 67 HG1 THR 67 6.271 10.791 5.567 553 HG21 THR 67 3HG2 THR 67 5.331 8.927 7.656 554 HG22 THR 67 1HG2 THR 67 6.097 10.526 7.943 555 HG23 THR 67 2HG2 THR 67 4.466 10.179 8.610 556 H GLU 68 H GLU 68 2.708 12.281 5.427 557 HA GLU 68 HA GLU 68 1.079 11.707 3.197 558 HB2 GLU 68 2HB GLU 68 2.693 14.153 4.055 559 HB3 GLU 68 3HB GLU 68 1.654 14.140 2.623 560 HG2 GLU 68 2HG GLU 68 -0.326 13.668 4.020 561 HG3 GLU 68 3HG GLU 68 0.686 13.561 5.466 562 H PHE 69 H PHE 69 4.534 11.458 3.662 563 HA PHE 69 HA PHE 69 4.954 11.697 0.752 564 HB2 PHE 69 2HB PHE 69 6.935 11.842 3.078 565 HB3 PHE 69 3HB PHE 69 7.351 11.978 1.364 566 HD1 PHE 69 HD1 PHE 69 6.422 13.930 0.025 567 HD2 PHE 69 HD2 PHE 69 6.156 13.717 4.309 568 HE1 PHE 69 HE1 PHE 69 6.027 16.371 0.122 569 HE2 PHE 69 HE2 PHE 69 5.751 16.157 4.402 570 HZ PHE 69 HZ PHE 69 5.688 17.489 2.312 571 H SER 70 H SER 70 3.894 9.313 2.518 572 HA SER 70 HA SER 70 5.910 7.443 2.887 573 HB2 SER 70 2HB SER 70 3.666 7.234 3.829 574 HB3 SER 70 3HB SER 70 2.951 7.134 2.214 575 HG SER 70 HG SER 70 4.845 5.262 3.330 576 H GLU 71 H GLU 71 7.064 6.072 1.565 577 HA GLU 71 HA GLU 71 6.115 5.852 -1.222 578 HB2 GLU 71 2HB GLU 71 8.941 5.711 -0.068 579 HB3 GLU 71 3HB GLU 71 8.522 5.346 -1.747 580 HG2 GLU 71 2HG GLU 71 7.719 7.676 -2.068 581 HG3 GLU 71 3HG GLU 71 8.088 8.048 -0.379 582 H ILE 72 H ILE 72 5.233 3.871 -1.654 583 HA ILE 72 HA ILE 72 6.297 1.616 -0.096 584 HB ILE 72 HB ILE 72 4.027 0.587 -0.343 585 HG12 ILE 72 2HG1 ILE 72 3.179 3.343 -1.349 586 HG13 ILE 72 3HG1 ILE 72 3.429 1.943 -2.401 587 HG21 ILE 72 1HG2 ILE 72 2.890 2.020 1.321 588 HG22 ILE 72 2HG2 ILE 72 4.629 1.796 1.710 589 HG23 ILE 72 3HG2 ILE 72 4.063 3.337 0.982 590 HD11 ILE 72 3HD1 ILE 72 1.409 2.121 -0.120 591 HD12 ILE 72 1HD1 ILE 72 1.051 2.241 -1.876 592 HD13 ILE 72 2HD1 ILE 72 1.663 0.699 -1.188 593 H VAL 73 H VAL 73 6.696 -0.360 -1.232 594 HA VAL 73 HA VAL 73 6.453 -0.112 -4.148 595 HB VAL 73 HB VAL 73 8.301 -1.855 -2.437 596 HG11 VAL 73 1HG1 VAL 73 9.365 -2.466 -4.587 597 HG12 VAL 73 2HG1 VAL 73 7.649 -2.991 -4.517 598 HG13 VAL 73 3HG1 VAL 73 8.105 -1.538 -5.469 599 HG21 VAL 73 3HG2 VAL 73 8.929 0.522 -2.426 600 HG22 VAL 73 1HG2 VAL 73 10.101 -0.444 -3.384 601 HG23 VAL 73 2HG2 VAL 73 8.869 0.559 -4.221 602 H VAL 74 H VAL 74 5.220 -1.629 -5.289 603 HA VAL 74 HA VAL 74 3.970 -3.689 -3.606 604 HB VAL 74 HB VAL 74 2.691 -2.044 -5.849 605 HG11 VAL 74 1HG1 VAL 74 0.592 -3.152 -5.139 606 HG12 VAL 74 2HG1 VAL 74 1.809 -4.336 -5.723 607 HG13 VAL 74 3HG1 VAL 74 1.519 -4.141 -3.961 608 HG21 VAL 74 3HG2 VAL 74 3.054 -0.705 -3.821 609 HG22 VAL 74 1HG2 VAL 74 1.308 -1.063 -4.046 610 HG23 VAL 74 2HG2 VAL 74 2.262 -1.974 -2.826 611 H PHE 75 H PHE 75 3.807 -5.776 -4.497 612 HA PHE 75 HA PHE 75 5.062 -6.055 -7.154 613 HB2 PHE 75 2HB PHE 75 5.058 -7.967 -4.766 614 HB3 PHE 75 3HB PHE 75 5.821 -8.272 -6.332 615 HD1 PHE 75 HD1 PHE 75 7.851 -7.042 -7.007 616 HD2 PHE 75 HD2 PHE 75 6.050 -6.446 -3.152 617 HE1 PHE 75 HE1 PHE 75 9.926 -5.958 -6.204 618 HE2 PHE 75 HE2 PHE 75 8.126 -5.361 -2.352 619 HZ PHE 75 HZ PHE 75 10.065 -5.112 -3.876 620 H LEU 76 H LEU 76 4.057 -7.361 -8.708 621 HA LEU 76 HA LEU 76 1.303 -8.117 -7.990 622 HB2 LEU 76 2HB LEU 76 2.631 -7.542 -10.685 623 HB3 LEU 76 3HB LEU 76 0.940 -8.013 -10.463 624 HG LEU 76 HG LEU 76 2.215 -5.451 -9.366 625 HD11 LEU 76 1HD1 LEU 76 0.845 -4.327 -11.083 626 HD12 LEU 76 2HD1 LEU 76 2.032 -5.454 -11.821 627 HD13 LEU 76 3HD1 LEU 76 0.303 -5.924 -11.699 628 HD21 LEU 76 3HD2 LEU 76 0.379 -6.317 -7.960 629 HD22 LEU 76 1HD2 LEU 76 -0.122 -4.833 -8.839 630 HD23 LEU 76 2HD2 LEU 76 -0.677 -6.444 -9.408 631 H LYS 77 H LYS 77 0.616 -10.237 -8.114 632 HA LYS 77 HA LYS 77 2.416 -12.109 -9.518 633 HB2 LYS 77 2HB LYS 77 0.805 -12.508 -6.953 634 HB3 LYS 77 3HB LYS 77 1.569 -13.821 -7.859 635 HG2 LYS 77 2HG LYS 77 3.806 -12.696 -7.520 636 HG3 LYS 77 3HG LYS 77 3.005 -11.473 -6.524 637 HD2 LYS 77 2HD LYS 77 2.183 -13.283 -4.986 638 HD3 LYS 77 3HD LYS 77 3.021 -14.489 -5.972 639 HE2 LYS 77 2HE LYS 77 5.201 -13.343 -5.520 640 HE3 LYS 77 3HE LYS 77 4.363 -12.138 -4.533 641 HZ1 LYS 77 3HZ LYS 77 4.447 -15.035 -3.974 642 HZ2 LYS 77 1HZ LYS 77 5.300 -13.885 -3.190 643 HZ3 LYS 77 2HZ LYS 77 3.673 -13.923 -3.063 644 H SER 78 H SER 78 0.926 -11.427 -11.403 645 HA SER 78 HA SER 78 -0.894 -13.630 -11.673 646 HB2 SER 78 2HB SER 78 -2.862 -12.332 -12.228 647 HB3 SER 78 3HB SER 78 -2.347 -11.923 -10.586 648 HG SER 78 HG SER 78 -1.145 -10.316 -12.499 649 H ILE 79 H ILE 79 -1.577 -13.918 -13.958 650 HA ILE 79 HA ILE 79 0.386 -12.610 -15.704 651 HB ILE 79 HB ILE 79 -1.031 -15.315 -15.930 652 HG12 ILE 79 2HG1 ILE 79 1.922 -14.620 -15.566 653 HG13 ILE 79 3HG1 ILE 79 0.842 -15.115 -14.256 654 HG21 ILE 79 1HG2 ILE 79 0.366 -15.665 -17.938 655 HG22 ILE 79 2HG2 ILE 79 -0.763 -14.284 -18.142 656 HG23 ILE 79 3HG2 ILE 79 0.975 -13.981 -17.805 657 HD11 ILE 79 3HD1 ILE 79 1.552 -16.787 -16.708 658 HD12 ILE 79 1HD1 ILE 79 2.197 -17.002 -15.046 659 HD13 ILE 79 2HD1 ILE 79 0.455 -17.290 -15.378 660 H ASN 80 H ASN 80 -3.002 -14.023 -15.745 661 HA ASN 80 HA ASN 80 -3.708 -12.883 -18.187 662 HB2 ASN 80 2HB ASN 80 -5.334 -13.768 -15.780 663 HB3 ASN 80 3HB ASN 80 -6.078 -13.166 -17.268 664 HD21 ASN 80 1HD2 ASN 80 -6.609 -15.661 -16.322 665 HD22 ASN 80 2HD2 ASN 80 -6.001 -16.827 -17.450 666 H ARG 81 H ARG 81 -5.272 -11.081 -18.608 667 HA ARG 81 HA ARG 81 -4.797 -8.911 -16.671 668 HB2 ARG 81 2HB ARG 81 -4.852 -8.711 -19.693 669 HB3 ARG 81 3HB ARG 81 -4.703 -7.362 -18.559 670 HG2 ARG 81 2HG ARG 81 -2.554 -8.210 -17.756 671 HG3 ARG 81 3HG ARG 81 -2.714 -9.664 -18.750 672 HD2 ARG 81 2HD ARG 81 -2.715 -8.231 -20.775 673 HD3 ARG 81 3HD ARG 81 -2.447 -6.821 -19.743 674 HE ARG 81 HE ARG 81 -0.401 -8.591 -19.109 675 HH11 ARG 81 1HH1 ARG 81 -1.522 -7.019 -22.045 676 HH12 ARG 81 2HH1 ARG 81 0.063 -6.928 -22.738 677 HH21 ARG 81 1HH2 ARG 81 1.621 -8.480 -20.014 678 HH22 ARG 81 2HH2 ARG 81 1.869 -7.768 -21.573 679 H ALA 82 H ALA 82 -6.416 -6.940 -17.336 680 HA ALA 82 HA ALA 82 -8.999 -8.058 -18.160 681 HB1 ALA 82 3HB ALA 82 -8.496 -6.346 -15.676 682 HB2 ALA 82 1HB ALA 82 -10.107 -6.798 -16.329 683 HB3 ALA 82 2HB ALA 82 -9.005 -8.068 -15.697 684 H LYS 83 H LYS 83 -10.368 -6.563 -19.251 685 HA LYS 83 HA LYS 83 -9.178 -4.683 -20.826 686 HB2 LYS 83 2HB LYS 83 -11.451 -5.629 -21.141 687 HB3 LYS 83 3HB LYS 83 -12.036 -4.721 -19.740 688 HG2 LYS 83 2HG LYS 83 -11.555 -2.581 -20.904 689 HG3 LYS 83 3HG LYS 83 -10.913 -3.465 -22.294 690 HD2 LYS 83 2HD LYS 83 -13.124 -4.548 -22.655 691 HD3 LYS 83 3HD LYS 83 -13.775 -3.729 -21.229 692 HE2 LYS 83 2HE LYS 83 -13.322 -1.512 -22.295 693 HE3 LYS 83 3HE LYS 83 -12.669 -2.330 -23.720 694 HZ1 LYS 83 3HZ LYS 83 -15.437 -2.588 -22.730 695 HZ2 LYS 83 1HZ LYS 83 -14.962 -1.715 -24.026 696 HZ3 LYS 83 2HZ LYS 83 -14.834 -3.343 -24.046 697 H ASP 84 H ASP 84 -10.882 -4.078 -17.643 698 HA ASP 84 HA ASP 84 -10.415 -1.300 -17.678 699 HB2 ASP 84 2HB ASP 84 -10.975 -3.334 -15.477 700 HB3 ASP 84 3HB ASP 84 -10.774 -1.609 -15.140 Start of MODEL 11 1 H ALA 1 1H ALA 1 -10.273 21.679 2.176 2 HA ALA 1 HA ALA 1 -8.360 21.457 3.548 3 HB1 ALA 1 3HB ALA 1 -11.012 20.725 4.882 4 HB2 ALA 1 1HB ALA 1 -9.565 21.383 5.717 5 HB3 ALA 1 2HB ALA 1 -10.433 22.382 4.502 6 H ALA 2 H ALA 2 -6.753 19.999 3.939 7 HA ALA 2 HA ALA 2 -7.448 17.187 4.146 8 HB1 ALA 2 3HB ALA 2 -4.778 18.677 4.184 9 HB2 ALA 2 1HB ALA 2 -4.983 16.893 4.146 10 HB3 ALA 2 2HB ALA 2 -5.539 17.891 2.760 11 H VAL 3 H VAL 3 -8.190 16.477 6.116 12 HA VAL 3 HA VAL 3 -6.654 17.390 8.451 13 HB VAL 3 HB VAL 3 -9.649 16.773 8.279 14 HG11 VAL 3 1HG1 VAL 3 -9.703 17.462 10.657 15 HG12 VAL 3 2HG1 VAL 3 -8.674 16.012 10.405 16 HG13 VAL 3 3HG1 VAL 3 -7.914 17.622 10.647 17 HG21 VAL 3 3HG2 VAL 3 -9.063 18.957 7.319 18 HG22 VAL 3 1HG2 VAL 3 -9.929 19.156 8.880 19 HG23 VAL 3 2HG2 VAL 3 -8.148 19.379 8.806 20 H ARG 4 H ARG 4 -5.383 15.642 9.035 21 HA ARG 4 HA ARG 4 -4.794 13.600 9.622 22 HB2 ARG 4 2HB ARG 4 -7.760 13.060 9.910 23 HB3 ARG 4 3HB ARG 4 -6.455 12.008 10.475 24 HG2 ARG 4 2HG ARG 4 -5.673 13.747 12.025 25 HG3 ARG 4 3HG ARG 4 -6.890 14.876 11.414 26 HD2 ARG 4 2HD ARG 4 -8.653 13.261 12.163 27 HD3 ARG 4 3HD ARG 4 -7.374 12.297 12.913 28 HE ARG 4 HE ARG 4 -7.138 14.937 13.883 29 HH11 ARG 4 1HH1 ARG 4 -9.449 12.292 14.028 30 HH12 ARG 4 2HH1 ARG 4 -10.026 12.732 15.600 31 HH21 ARG 4 1HH2 ARG 4 -7.896 15.493 15.891 32 HH22 ARG 4 2HH2 ARG 4 -9.136 14.570 16.671 33 H LYS 5 H LYS 5 -5.443 14.337 6.718 34 HA LYS 5 HA LYS 5 -5.790 11.586 5.728 35 HB2 LYS 5 2HB LYS 5 -5.857 14.271 4.268 36 HB3 LYS 5 3HB LYS 5 -6.107 12.687 3.523 37 HG2 LYS 5 2HG LYS 5 -7.886 13.877 5.707 38 HG3 LYS 5 3HG LYS 5 -8.231 13.952 3.974 39 HD2 LYS 5 2HD LYS 5 -8.120 11.405 3.913 40 HD3 LYS 5 3HD LYS 5 -7.963 11.418 5.674 41 HE2 LYS 5 2HE LYS 5 -10.139 12.690 5.825 42 HE3 LYS 5 3HE LYS 5 -10.302 12.574 4.068 43 HZ1 LYS 5 3HZ LYS 5 -10.186 10.293 5.936 44 HZ2 LYS 5 1HZ LYS 5 -11.512 10.834 5.152 45 HZ3 LYS 5 2HZ LYS 5 -10.284 10.162 4.311 46 H ILE 6 H ILE 6 -4.182 10.608 4.407 47 HA ILE 6 HA ILE 6 -1.775 12.214 3.967 48 HB ILE 6 HB ILE 6 -0.393 10.183 4.512 49 HG12 ILE 6 2HG1 ILE 6 -3.003 9.126 5.698 50 HG13 ILE 6 3HG1 ILE 6 -2.261 8.535 4.206 51 HG21 ILE 6 1HG2 ILE 6 -0.559 10.415 6.967 52 HG22 ILE 6 2HG2 ILE 6 -0.650 12.006 6.137 53 HG23 ILE 6 3HG2 ILE 6 -2.143 11.241 6.778 54 HD11 ILE 6 3HD1 ILE 6 -1.001 8.433 6.984 55 HD12 ILE 6 1HD1 ILE 6 -1.742 7.059 6.096 56 HD13 ILE 6 2HD1 ILE 6 -0.248 7.832 5.468 57 H HIS 7 H HIS 7 -0.532 11.573 2.068 58 HA HIS 7 HA HIS 7 -2.056 9.846 0.246 59 HB2 HIS 7 2HB HIS 7 0.154 11.913 -0.185 60 HB3 HIS 7 3HB HIS 7 -0.454 10.855 -1.465 61 HD2 HIS 7 HD2 HIS 7 -2.822 11.691 -2.656 62 HE1 HIS 7 HE1 HIS 7 -3.571 14.987 -0.031 63 H VAL 8 H VAL 8 -1.037 8.075 -0.860 64 HA VAL 8 HA VAL 8 1.605 7.375 0.221 65 HB VAL 8 HB VAL 8 -0.708 5.505 -0.507 66 HG11 VAL 8 1HG1 VAL 8 0.775 3.704 0.322 67 HG12 VAL 8 2HG1 VAL 8 1.474 4.542 -1.104 68 HG13 VAL 8 3HG1 VAL 8 2.097 4.900 0.542 69 HG21 VAL 8 3HG2 VAL 8 -1.047 6.662 1.637 70 HG22 VAL 8 1HG2 VAL 8 -0.676 4.925 1.900 71 HG23 VAL 8 2HG2 VAL 8 0.592 6.166 2.178 72 H THR 9 H THR 9 3.190 7.037 -1.331 73 HA THR 9 HA THR 9 2.359 7.094 -4.103 74 HB THR 9 HB THR 9 5.120 7.033 -2.778 75 HG1 THR 9 HG1 THR 9 5.113 9.283 -3.497 76 HG21 THR 9 3HG2 THR 9 4.317 7.479 -5.695 77 HG22 THR 9 1HG2 THR 9 5.973 7.646 -5.022 78 HG23 THR 9 2HG2 THR 9 5.168 6.041 -5.038 79 H VAL 10 H VAL 10 2.030 5.238 -5.298 80 HA VAL 10 HA VAL 10 2.939 2.754 -4.052 81 HB VAL 10 HB VAL 10 0.857 3.206 -6.251 82 HG11 VAL 10 1HG1 VAL 10 0.158 0.894 -5.703 83 HG12 VAL 10 2HG1 VAL 10 1.859 0.960 -6.276 84 HG13 VAL 10 3HG1 VAL 10 1.508 0.771 -4.525 85 HG21 VAL 10 3HG2 VAL 10 0.157 4.265 -4.146 86 HG22 VAL 10 1HG2 VAL 10 -0.822 2.796 -4.478 87 HG23 VAL 10 2HG2 VAL 10 0.492 2.743 -3.254 88 H LYS 11 H LYS 11 4.742 1.782 -4.923 89 HA LYS 11 HA LYS 11 5.432 2.545 -7.685 90 HB2 LYS 11 2HB LYS 11 7.165 1.638 -5.335 91 HB3 LYS 11 3HB LYS 11 7.763 1.927 -6.974 92 HG2 LYS 11 2HG LYS 11 7.023 4.320 -6.803 93 HG3 LYS 11 3HG LYS 11 6.481 4.019 -5.147 94 HD2 LYS 11 2HD LYS 11 8.834 3.299 -4.550 95 HD3 LYS 11 3HD LYS 11 9.348 3.717 -6.190 96 HE2 LYS 11 2HE LYS 11 8.525 6.076 -5.808 97 HE3 LYS 11 3HE LYS 11 8.118 5.638 -4.143 98 HZ1 LYS 11 3HZ LYS 11 10.766 5.855 -5.367 99 HZ2 LYS 11 1HZ LYS 11 10.216 6.516 -3.979 100 HZ3 LYS 11 2HZ LYS 11 10.562 4.922 -4.043 101 H PHE 12 H PHE 12 4.736 0.907 -9.083 102 HA PHE 12 HA PHE 12 5.555 -1.817 -8.399 103 HB2 PHE 12 2HB PHE 12 4.051 -0.516 -10.714 104 HB3 PHE 12 3HB PHE 12 4.643 -2.180 -10.810 105 HD1 PHE 12 HD1 PHE 12 2.451 0.101 -8.818 106 HD2 PHE 12 HD2 PHE 12 3.444 -3.956 -9.819 107 HE1 PHE 12 HE1 PHE 12 0.428 -0.687 -7.629 108 HE2 PHE 12 HE2 PHE 12 1.417 -4.746 -8.638 109 HZ PHE 12 HZ PHE 12 -0.097 -3.113 -7.539 110 HA PRO 13 HA PRO 13 9.373 -1.820 -10.520 111 HB2 PRO 13 2HB PRO 13 9.138 -4.036 -12.243 112 HB3 PRO 13 3HB PRO 13 9.427 -4.205 -10.506 113 HG2 PRO 13 2HG PRO 13 6.802 -4.350 -12.027 114 HG3 PRO 13 3HG PRO 13 7.399 -5.406 -10.741 115 HD2 PRO 13 2HD PRO 13 5.598 -3.491 -10.148 116 HD3 PRO 13 3HD PRO 13 6.927 -3.803 -9.024 117 H SER 14 H SER 14 6.485 -1.751 -12.603 118 HA SER 14 HA SER 14 8.142 -0.311 -14.566 119 HB2 SER 14 2HB SER 14 6.909 -1.461 -16.367 120 HB3 SER 14 3HB SER 14 7.863 -2.593 -15.399 121 HG SER 14 HG SER 14 5.727 -3.373 -15.827 122 H LYS 15 H LYS 15 5.925 0.187 -12.299 123 HA LYS 15 HA LYS 15 4.564 2.209 -13.856 124 HB2 LYS 15 2HB LYS 15 3.137 0.202 -14.196 125 HB3 LYS 15 3HB LYS 15 3.034 -0.031 -12.445 126 HG2 LYS 15 2HG LYS 15 1.885 2.178 -12.224 127 HG3 LYS 15 3HG LYS 15 1.978 2.397 -13.976 128 HD2 LYS 15 2HD LYS 15 0.658 0.278 -14.293 129 HD3 LYS 15 3HD LYS 15 0.533 0.109 -12.538 130 HE2 LYS 15 2HE LYS 15 -0.595 2.371 -12.439 131 HE3 LYS 15 3HE LYS 15 -0.542 2.444 -14.205 132 HZ1 LYS 15 3HZ LYS 15 -1.973 0.437 -12.590 133 HZ2 LYS 15 1HZ LYS 15 -2.639 1.618 -13.499 134 HZ3 LYS 15 2HZ LYS 15 -1.850 0.382 -14.217 135 H GLN 16 H GLN 16 3.713 3.911 -12.518 136 HA GLN 16 HA GLN 16 3.844 3.439 -9.627 137 HB2 GLN 16 2HB GLN 16 5.141 5.749 -11.155 138 HB3 GLN 16 3HB GLN 16 4.816 5.792 -9.417 139 HG2 GLN 16 2HG GLN 16 6.256 3.750 -9.133 140 HG3 GLN 16 3HG GLN 16 6.630 3.805 -10.861 141 HE21 GLN 16 1HE2 GLN 16 8.837 3.906 -9.627 142 HE22 GLN 16 2HE2 GLN 16 9.480 5.496 -9.383 143 H PHE 17 H PHE 17 2.244 4.592 -8.437 144 HA PHE 17 HA PHE 17 0.974 6.873 -9.623 145 HB2 PHE 17 2HB PHE 17 -1.308 5.970 -9.583 146 HB3 PHE 17 3HB PHE 17 -0.304 5.088 -10.741 147 HD1 PHE 17 HD1 PHE 17 -2.085 4.906 -7.516 148 HD2 PHE 17 HD2 PHE 17 0.343 2.765 -10.340 149 HE1 PHE 17 HE1 PHE 17 -2.692 2.771 -6.420 150 HE2 PHE 17 HE2 PHE 17 -0.265 0.629 -9.243 151 HZ PHE 17 HZ PHE 17 -1.786 0.630 -7.281 152 H THR 18 H THR 18 -0.684 7.828 -8.046 153 HA THR 18 HA THR 18 0.234 7.170 -5.335 154 HB THR 18 HB THR 18 -0.284 9.547 -4.784 155 HG1 THR 18 HG1 THR 18 -0.697 10.994 -6.606 156 HG21 THR 18 3HG2 THR 18 1.574 9.199 -7.187 157 HG22 THR 18 1HG2 THR 18 1.591 10.575 -6.033 158 HG23 THR 18 2HG2 THR 18 2.003 8.922 -5.465 159 H VAL 19 H VAL 19 -1.349 7.240 -3.583 160 HA VAL 19 HA VAL 19 -4.127 7.444 -4.502 161 HB VAL 19 HB VAL 19 -4.714 5.604 -2.916 162 HG11 VAL 19 1HG1 VAL 19 -3.844 3.742 -4.295 163 HG12 VAL 19 2HG1 VAL 19 -4.399 5.120 -5.305 164 HG13 VAL 19 3HG1 VAL 19 -2.643 4.856 -5.033 165 HG21 VAL 19 3HG2 VAL 19 -2.797 5.808 -1.392 166 HG22 VAL 19 1HG2 VAL 19 -2.923 4.138 -2.042 167 HG23 VAL 19 2HG2 VAL 19 -1.687 5.266 -2.696 168 H GLU 20 H GLU 20 -5.680 7.972 -2.690 169 HA GLU 20 HA GLU 20 -4.283 9.494 -0.580 170 HB2 GLU 20 2HB GLU 20 -5.544 10.886 -2.199 171 HB3 GLU 20 3HB GLU 20 -7.006 9.937 -1.898 172 HG2 GLU 20 2HG GLU 20 -6.994 10.686 0.487 173 HG3 GLU 20 3HG GLU 20 -5.542 11.646 0.174 174 H VAL 21 H VAL 21 -4.598 8.839 1.515 175 HA VAL 21 HA VAL 21 -6.945 7.168 2.036 176 HB VAL 21 HB VAL 21 -5.516 5.646 3.410 177 HG11 VAL 21 1HG1 VAL 21 -4.475 4.435 1.519 178 HG12 VAL 21 2HG1 VAL 21 -6.122 5.026 1.109 179 HG13 VAL 21 3HG1 VAL 21 -4.677 5.889 0.483 180 HG21 VAL 21 3HG2 VAL 21 -3.663 7.195 3.866 181 HG22 VAL 21 1HG2 VAL 21 -3.061 5.684 3.106 182 HG23 VAL 21 2HG2 VAL 21 -3.209 7.183 2.128 183 H ASP 22 H ASP 22 -7.166 6.818 4.553 184 HA ASP 22 HA ASP 22 -6.751 9.419 5.800 185 HB2 ASP 22 2HB ASP 22 -8.947 8.060 5.809 186 HB3 ASP 22 3HB ASP 22 -8.143 6.955 6.931 187 H ARG 23 H ARG 23 -5.592 9.741 7.776 188 HA ARG 23 HA ARG 23 -3.270 8.155 7.968 189 HB2 ARG 23 2HB ARG 23 -3.293 10.534 8.468 190 HB3 ARG 23 3HB ARG 23 -4.381 10.265 9.836 191 HG2 ARG 23 2HG ARG 23 -2.669 8.961 11.004 192 HG3 ARG 23 3HG ARG 23 -1.588 9.065 9.608 193 HD2 ARG 23 2HD ARG 23 -1.345 11.432 9.879 194 HD3 ARG 23 3HD ARG 23 -2.598 11.473 11.125 195 HE ARG 23 HE ARG 23 -0.527 9.721 11.963 196 HH11 ARG 23 1HH1 ARG 23 -1.058 13.150 11.397 197 HH12 ARG 23 2HH1 ARG 23 0.080 13.641 12.608 198 HH21 ARG 23 1HH2 ARG 23 0.935 10.366 13.501 199 HH22 ARG 23 2HH2 ARG 23 1.225 12.045 13.815 200 H THR 24 H THR 24 -6.446 8.032 9.617 201 HA THR 24 HA THR 24 -5.307 6.462 11.770 202 HB THR 24 HB THR 24 -7.568 6.587 12.750 203 HG1 THR 24 HG1 THR 24 -8.242 8.011 10.297 204 HG21 THR 24 3HG2 THR 24 -6.643 9.265 11.596 205 HG22 THR 24 1HG2 THR 24 -7.738 9.047 13.003 206 HG23 THR 24 2HG2 THR 24 -6.033 8.490 13.096 207 H GLU 25 H GLU 25 -6.407 5.835 8.610 208 HA GLU 25 HA GLU 25 -7.883 3.432 9.214 209 HB2 GLU 25 2HB GLU 25 -6.873 4.827 6.709 210 HB3 GLU 25 3HB GLU 25 -7.490 3.172 6.629 211 HG2 GLU 25 2HG GLU 25 -9.095 5.492 7.803 212 HG3 GLU 25 3HG GLU 25 -9.161 5.034 6.096 213 H THR 26 H THR 26 -7.190 1.255 8.409 214 HA THR 26 HA THR 26 -4.397 0.868 9.061 215 HB THR 26 HB THR 26 -4.984 -1.546 9.021 216 HG1 THR 26 HG1 THR 26 -7.355 -2.000 8.753 217 HG21 THR 26 3HG2 THR 26 -7.007 0.179 10.533 218 HG22 THR 26 1HG2 THR 26 -6.597 -1.531 10.901 219 HG23 THR 26 2HG2 THR 26 -5.353 -0.249 11.088 220 H VAL 27 H VAL 27 -3.253 -0.987 7.664 221 HA VAL 27 HA VAL 27 -2.905 0.163 5.128 222 HB VAL 27 HB VAL 27 -1.393 -1.770 4.722 223 HG11 VAL 27 1HG1 VAL 27 0.154 -1.370 6.615 224 HG12 VAL 27 2HG1 VAL 27 -0.578 0.157 6.015 225 HG13 VAL 27 3HG1 VAL 27 -1.179 -0.591 7.533 226 HG21 VAL 27 3HG2 VAL 27 -2.748 -3.529 5.773 227 HG22 VAL 27 1HG2 VAL 27 -1.095 -3.491 6.475 228 HG23 VAL 27 2HG2 VAL 27 -2.474 -2.792 7.389 229 H SER 28 H SER 28 -5.150 -2.284 6.332 230 HA SER 28 HA SER 28 -5.464 -3.769 3.950 231 HB2 SER 28 2HB SER 28 -7.430 -4.634 5.017 232 HB3 SER 28 3HB SER 28 -6.192 -4.434 6.264 233 HG SER 28 HG SER 28 -7.201 -2.510 6.951 234 H SER 29 H SER 29 -6.819 -0.630 5.081 235 HA SER 29 HA SER 29 -8.702 -0.432 2.940 236 HB2 SER 29 2HB SER 29 -7.359 1.617 4.757 237 HB3 SER 29 3HB SER 29 -8.631 2.007 3.592 238 HG SER 29 HG SER 29 -9.216 1.501 5.921 239 H LEU 30 H LEU 30 -5.228 0.491 3.401 240 HA LEU 30 HA LEU 30 -5.017 2.036 1.061 241 HB2 LEU 30 2HB LEU 30 -3.351 2.125 2.828 242 HB3 LEU 30 3HB LEU 30 -3.023 0.393 2.687 243 HG LEU 30 HG LEU 30 -2.093 0.770 0.385 244 HD11 LEU 30 1HD1 LEU 30 -1.631 3.081 -0.343 245 HD12 LEU 30 2HD1 LEU 30 -3.395 2.780 -0.183 246 HD13 LEU 30 3HD1 LEU 30 -2.524 3.711 1.083 247 HD21 LEU 30 3HD2 LEU 30 -0.633 0.729 2.375 248 HD22 LEU 30 1HD2 LEU 30 -0.025 1.894 1.150 249 HD23 LEU 30 2HD2 LEU 30 -0.889 2.492 2.606 250 H LYS 31 H LYS 31 -4.491 -1.523 1.664 251 HA LYS 31 HA LYS 31 -3.454 -1.961 -0.940 252 HB2 LYS 31 2HB LYS 31 -3.445 -4.256 -0.330 253 HB3 LYS 31 3HB LYS 31 -3.068 -3.360 1.147 254 HG2 LYS 31 2HG LYS 31 -5.486 -3.585 1.848 255 HG3 LYS 31 3HG LYS 31 -5.776 -4.577 0.413 256 HD2 LYS 31 2HD LYS 31 -3.975 -6.171 1.197 257 HD3 LYS 31 3HD LYS 31 -3.793 -5.202 2.666 258 HE2 LYS 31 2HE LYS 31 -6.230 -5.588 3.188 259 HE3 LYS 31 3HE LYS 31 -6.357 -6.612 1.752 260 HZ1 LYS 31 3HZ LYS 31 -4.728 -7.111 4.152 261 HZ2 LYS 31 1HZ LYS 31 -5.968 -8.005 3.580 262 HZ3 LYS 31 2HZ LYS 31 -4.548 -7.971 2.776 263 H ASP 32 H ASP 32 -6.764 -2.041 0.492 264 HA ASP 32 HA ASP 32 -8.035 -3.362 -1.621 265 HB2 ASP 32 2HB ASP 32 -8.910 -1.281 0.422 266 HB3 ASP 32 3HB ASP 32 -10.030 -1.915 -0.792 267 H LYS 33 H LYS 33 -7.284 0.171 -1.114 268 HA LYS 33 HA LYS 33 -8.637 1.003 -3.451 269 HB2 LYS 33 2HB LYS 33 -6.440 2.216 -1.718 270 HB3 LYS 33 3HB LYS 33 -7.110 3.052 -3.125 271 HG2 LYS 33 2HG LYS 33 -9.351 3.064 -2.116 272 HG3 LYS 33 3HG LYS 33 -8.784 2.085 -0.756 273 HD2 LYS 33 2HD LYS 33 -7.237 3.888 -0.054 274 HD3 LYS 33 3HD LYS 33 -7.684 4.857 -1.464 275 HE2 LYS 33 2HE LYS 33 -9.972 5.110 -0.670 276 HE3 LYS 33 3HE LYS 33 -9.723 3.919 0.613 277 HZ1 LYS 33 3HZ LYS 33 -8.190 6.430 0.461 278 HZ2 LYS 33 1HZ LYS 33 -9.586 6.289 1.297 279 HZ3 LYS 33 2HZ LYS 33 -8.286 5.398 1.723 280 H ILE 34 H ILE 34 -5.197 0.020 -2.784 281 HA ILE 34 HA ILE 34 -4.241 0.565 -5.345 282 HB ILE 34 HB ILE 34 -3.472 -1.535 -3.262 283 HG12 ILE 34 2HG1 ILE 34 -2.049 1.027 -4.112 284 HG13 ILE 34 3HG1 ILE 34 -3.213 0.963 -2.781 285 HG21 ILE 34 1HG2 ILE 34 -1.370 -1.817 -4.533 286 HG22 ILE 34 2HG2 ILE 34 -2.803 -2.331 -5.486 287 HG23 ILE 34 3HG2 ILE 34 -2.016 -0.754 -5.829 288 HD11 ILE 34 3HD1 ILE 34 -0.619 -0.634 -2.959 289 HD12 ILE 34 1HD1 ILE 34 -0.910 0.822 -1.949 290 HD13 ILE 34 2HD1 ILE 34 -1.800 -0.699 -1.608 291 H HIS 35 H HIS 35 -6.005 -2.302 -3.984 292 HA HIS 35 HA HIS 35 -5.687 -3.922 -6.272 293 HB2 HIS 35 2HB HIS 35 -6.323 -4.896 -4.149 294 HB3 HIS 35 3HB HIS 35 -7.731 -3.836 -4.005 295 HD2 HIS 35 HD2 HIS 35 -10.039 -5.055 -4.811 296 HE1 HIS 35 HE1 HIS 35 -8.293 -8.018 -7.359 297 H ILE 36 H ILE 36 -8.106 -1.389 -5.350 298 HA ILE 36 HA ILE 36 -9.891 -1.941 -7.438 299 HB ILE 36 HB ILE 36 -9.260 0.580 -5.835 300 HG12 ILE 36 2HG1 ILE 36 -11.708 -1.241 -5.810 301 HG13 ILE 36 3HG1 ILE 36 -10.315 -1.477 -4.747 302 HG21 ILE 36 1HG2 ILE 36 -11.345 1.538 -6.756 303 HG22 ILE 36 2HG2 ILE 36 -10.115 1.259 -8.035 304 HG23 ILE 36 3HG2 ILE 36 -11.500 0.129 -7.860 305 HD11 ILE 36 3HD1 ILE 36 -12.073 1.015 -4.853 306 HD12 ILE 36 1HD1 ILE 36 -12.111 -0.265 -3.594 307 HD13 ILE 36 2HD1 ILE 36 -10.658 0.776 -3.774 308 H VAL 37 H VAL 37 -6.936 0.165 -7.226 309 HA VAL 37 HA VAL 37 -7.305 1.337 -9.760 310 HB VAL 37 HB VAL 37 -4.844 0.902 -7.996 311 HG11 VAL 37 1HG1 VAL 37 -3.698 2.555 -9.434 312 HG12 VAL 37 2HG1 VAL 37 -4.132 1.066 -10.340 313 HG13 VAL 37 3HG1 VAL 37 -5.108 2.560 -10.546 314 HG21 VAL 37 3HG2 VAL 37 -6.555 2.391 -7.063 315 HG22 VAL 37 1HG2 VAL 37 -5.094 3.318 -7.545 316 HG23 VAL 37 2HG2 VAL 37 -6.562 3.355 -8.579 317 H GLU 38 H GLU 38 -5.617 -1.663 -8.614 318 HA GLU 38 HA GLU 38 -4.690 -2.149 -11.345 319 HB2 GLU 38 2HB GLU 38 -4.191 -3.582 -8.692 320 HB3 GLU 38 3HB GLU 38 -3.508 -4.078 -10.246 321 HG2 GLU 38 2HG GLU 38 -3.000 -1.399 -8.857 322 HG3 GLU 38 3HG GLU 38 -1.894 -2.779 -8.872 323 H ASN 39 H ASN 39 -4.742 -4.816 -11.714 324 HA ASN 39 HA ASN 39 -7.507 -5.638 -11.119 325 HB2 ASN 39 2HB ASN 39 -5.900 -6.063 -13.665 326 HB3 ASN 39 3HB ASN 39 -7.417 -6.892 -13.292 327 HD21 ASN 39 1HD2 ASN 39 -5.990 -4.211 -14.692 328 HD22 ASN 39 2HD2 ASN 39 -7.427 -3.289 -14.986 329 H THR 40 H THR 40 -4.952 -6.151 -9.594 330 HA THR 40 HA THR 40 -4.738 -9.039 -10.101 331 HB THR 40 HB THR 40 -2.735 -7.103 -8.827 332 HG1 THR 40 HG1 THR 40 -2.469 -6.864 -10.998 333 HG21 THR 40 3HG2 THR 40 -2.543 -10.108 -9.364 334 HG22 THR 40 1HG2 THR 40 -1.214 -9.058 -8.765 335 HG23 THR 40 2HG2 THR 40 -2.674 -9.324 -7.753 336 HA PRO 41 HA PRO 41 -6.875 -9.591 -6.246 337 HB2 PRO 41 2HB PRO 41 -5.194 -12.147 -6.235 338 HB3 PRO 41 3HB PRO 41 -6.940 -11.981 -6.005 339 HG2 PRO 41 2HG PRO 41 -6.017 -12.878 -8.337 340 HG3 PRO 41 3HG PRO 41 -7.361 -11.728 -8.325 341 HD2 PRO 41 2HD PRO 41 -4.436 -11.237 -8.967 342 HD3 PRO 41 3HD PRO 41 -5.873 -10.532 -9.718 343 H ILE 42 H ILE 42 -6.589 -9.196 -4.111 344 HA ILE 42 HA ILE 42 -4.140 -8.110 -3.351 345 HB ILE 42 HB ILE 42 -6.565 -9.079 -1.765 346 HG12 ILE 42 2HG1 ILE 42 -5.539 -6.264 -2.342 347 HG13 ILE 42 3HG1 ILE 42 -6.732 -7.094 -3.348 348 HG21 ILE 42 1HG2 ILE 42 -5.630 -7.856 0.169 349 HG22 ILE 42 2HG2 ILE 42 -4.584 -9.230 -0.322 350 HG23 ILE 42 3HG2 ILE 42 -4.123 -7.550 -0.758 351 HD11 ILE 42 3HD1 ILE 42 -7.051 -6.429 -0.387 352 HD12 ILE 42 1HD1 ILE 42 -7.819 -5.569 -1.764 353 HD13 ILE 42 2HD1 ILE 42 -8.263 -7.273 -1.409 354 H LYS 43 H LYS 43 -5.481 -11.442 -3.049 355 HA LYS 43 HA LYS 43 -3.673 -12.332 -1.078 356 HB2 LYS 43 2HB LYS 43 -5.263 -13.758 -3.259 357 HB3 LYS 43 3HB LYS 43 -4.306 -14.610 -2.040 358 HG2 LYS 43 2HG LYS 43 -5.692 -13.596 -0.234 359 HG3 LYS 43 3HG LYS 43 -6.642 -12.725 -1.445 360 HD2 LYS 43 2HD LYS 43 -7.346 -14.892 -2.466 361 HD3 LYS 43 3HD LYS 43 -6.377 -15.774 -1.279 362 HE2 LYS 43 2HE LYS 43 -7.741 -14.800 0.571 363 HE3 LYS 43 3HE LYS 43 -8.699 -13.892 -0.606 364 HZ1 LYS 43 3HZ LYS 43 -8.516 -16.833 -0.468 365 HZ2 LYS 43 1HZ LYS 43 -9.780 -15.929 0.032 366 HZ3 LYS 43 2HZ LYS 43 -9.401 -15.995 -1.554 367 H ARG 44 H ARG 44 -3.295 -11.683 -4.539 368 HA ARG 44 HA ARG 44 -0.849 -13.290 -4.580 369 HB2 ARG 44 2HB ARG 44 -2.302 -11.868 -6.826 370 HB3 ARG 44 3HB ARG 44 -0.831 -12.836 -6.988 371 HG2 ARG 44 2HG ARG 44 -3.498 -13.899 -5.963 372 HG3 ARG 44 3HG ARG 44 -2.947 -14.016 -7.640 373 HD2 ARG 44 2HD ARG 44 -1.005 -15.325 -6.912 374 HD3 ARG 44 3HD ARG 44 -1.550 -15.204 -5.234 375 HE ARG 44 HE ARG 44 -3.638 -16.328 -6.796 376 HH11 ARG 44 1HH1 ARG 44 -0.422 -17.162 -5.646 377 HH12 ARG 44 2HH1 ARG 44 -0.763 -18.858 -5.574 378 HH21 ARG 44 1HH2 ARG 44 -4.055 -18.505 -6.713 379 HH22 ARG 44 2HH2 ARG 44 -2.849 -19.631 -6.187 380 H MET 45 H MET 45 -2.049 -9.894 -4.700 381 HA MET 45 HA MET 45 0.446 -8.800 -5.523 382 HB2 MET 45 2HB MET 45 -1.816 -7.730 -5.781 383 HB3 MET 45 3HB MET 45 -1.896 -7.530 -4.026 384 HG2 MET 45 2HG MET 45 0.149 -6.093 -4.108 385 HG3 MET 45 3HG MET 45 0.197 -6.276 -5.867 386 HE1 MET 45 3HE MET 45 -3.044 -5.873 -6.793 387 HE2 MET 45 1HE MET 45 -2.624 -4.185 -7.237 388 HE3 MET 45 2HE MET 45 -1.423 -5.500 -7.471 389 H GLN 46 H GLN 46 2.227 -8.143 -4.343 390 HA GLN 46 HA GLN 46 2.079 -8.671 -1.452 391 HB2 GLN 46 2HB GLN 46 4.531 -8.339 -3.247 392 HB3 GLN 46 3HB GLN 46 4.510 -8.886 -1.566 393 HG2 GLN 46 2HG GLN 46 3.259 -10.371 -3.924 394 HG3 GLN 46 3HG GLN 46 4.824 -10.745 -3.190 395 HE21 GLN 46 1HE2 GLN 46 1.736 -11.772 -3.320 396 HE22 GLN 46 2HE2 GLN 46 1.558 -12.483 -1.751 397 H LEU 47 H LEU 47 2.651 -7.062 0.065 398 HA LEU 47 HA LEU 47 2.928 -4.372 -1.128 399 HB2 LEU 47 2HB LEU 47 0.647 -4.681 -0.352 400 HB3 LEU 47 3HB LEU 47 1.197 -5.378 1.177 401 HG LEU 47 HG LEU 47 2.211 -3.154 1.796 402 HD11 LEU 47 1HD1 LEU 47 1.580 -1.170 0.473 403 HD12 LEU 47 2HD1 LEU 47 2.586 -2.308 -0.485 404 HD13 LEU 47 3HD1 LEU 47 0.812 -2.230 -0.756 405 HD21 LEU 47 3HD2 LEU 47 -0.047 -3.812 2.546 406 HD22 LEU 47 1HD2 LEU 47 0.042 -2.046 2.232 407 HD23 LEU 47 2HD2 LEU 47 -0.752 -3.131 1.041 408 H TYR 48 H TYR 48 4.847 -3.441 -0.564 409 HA TYR 48 HA TYR 48 5.773 -3.929 2.194 410 HB2 TYR 48 2HB TYR 48 7.234 -5.162 0.687 411 HB3 TYR 48 3HB TYR 48 7.379 -3.773 -0.399 412 HD1 TYR 48 HD1 TYR 48 8.131 -4.864 3.118 413 HD2 TYR 48 HD2 TYR 48 9.133 -2.227 -0.118 414 HE1 TYR 48 HE1 TYR 48 10.126 -4.101 4.365 415 HE2 TYR 48 HE2 TYR 48 11.131 -1.458 1.125 416 HH TYR 48 HH TYR 48 11.726 -2.488 4.481 417 H TYR 49 H TYR 49 6.548 -2.097 3.322 418 HA TYR 49 HA TYR 49 6.364 0.440 1.825 419 HB2 TYR 49 2HB TYR 49 4.679 0.516 3.480 420 HB3 TYR 49 3HB TYR 49 5.658 -0.357 4.667 421 HD1 TYR 49 HD1 TYR 49 5.754 2.862 2.696 422 HD2 TYR 49 HD2 TYR 49 6.619 0.866 6.396 423 HE1 TYR 49 HE1 TYR 49 6.471 5.016 3.683 424 HE2 TYR 49 HE2 TYR 49 7.339 3.016 7.391 425 HH TYR 49 HH TYR 49 6.672 5.625 6.826 426 H SER 50 H SER 50 8.154 1.803 1.821 427 HA SER 50 HA SER 50 10.677 1.141 2.172 428 HB2 SER 50 2HB SER 50 9.871 3.384 1.516 429 HB3 SER 50 3HB SER 50 9.394 3.719 3.186 430 HG SER 50 HG SER 50 11.464 4.610 2.659 431 H GLY 51 H GLY 51 11.496 -0.259 3.720 432 HA2 GLY 51 2HA GLY 51 12.585 -0.387 5.783 433 HA3 GLY 51 3HA GLY 51 11.436 0.766 6.473 434 H ILE 52 H ILE 52 9.151 0.006 6.886 435 HA ILE 52 HA ILE 52 9.333 -2.746 7.819 436 HB ILE 52 HB ILE 52 7.361 -0.490 8.438 437 HG12 ILE 52 2HG1 ILE 52 9.508 -1.771 10.191 438 HG13 ILE 52 3HG1 ILE 52 9.744 -0.270 9.286 439 HG21 ILE 52 1HG2 ILE 52 6.528 -1.976 10.229 440 HG22 ILE 52 2HG2 ILE 52 6.271 -2.683 8.598 441 HG23 ILE 52 3HG2 ILE 52 7.605 -3.285 9.638 442 HD11 ILE 52 3HD1 ILE 52 7.648 -0.733 11.454 443 HD12 ILE 52 1HD1 ILE 52 9.179 0.189 11.628 444 HD13 ILE 52 2HD1 ILE 52 7.887 0.791 10.535 445 H GLU 53 H GLU 53 8.080 -4.418 6.982 446 HA GLU 53 HA GLU 53 6.559 -3.903 4.613 447 HB2 GLU 53 2HB GLU 53 7.915 -5.961 4.998 448 HB3 GLU 53 3HB GLU 53 6.858 -6.406 6.344 449 HG2 GLU 53 2HG GLU 53 4.927 -6.582 4.783 450 HG3 GLU 53 3HG GLU 53 5.966 -6.108 3.432 451 H LEU 54 H LEU 54 4.326 -3.791 4.330 452 HA LEU 54 HA LEU 54 2.827 -3.288 6.762 453 HB2 LEU 54 2HB LEU 54 1.971 -3.175 3.830 454 HB3 LEU 54 3HB LEU 54 1.099 -2.500 5.213 455 HG LEU 54 HG LEU 54 3.819 -1.554 4.168 456 HD11 LEU 54 1HD1 LEU 54 2.571 0.490 3.570 457 HD12 LEU 54 2HD1 LEU 54 1.919 -0.953 2.721 458 HD13 LEU 54 3HD1 LEU 54 1.046 -0.273 4.135 459 HD21 LEU 54 3HD2 LEU 54 3.647 -1.369 6.622 460 HD22 LEU 54 1HD2 LEU 54 3.570 0.248 5.843 461 HD23 LEU 54 2HD2 LEU 54 2.069 -0.527 6.454 462 H ALA 55 H ALA 55 3.172 -5.756 7.340 463 HA ALA 55 HA ALA 55 1.622 -7.538 5.634 464 HB1 ALA 55 3HB ALA 55 3.385 -8.019 8.087 465 HB2 ALA 55 1HB ALA 55 2.628 -9.294 7.075 466 HB3 ALA 55 2HB ALA 55 3.875 -8.211 6.370 467 H ASP 56 H ASP 56 1.253 -5.721 8.632 468 HA ASP 56 HA ASP 56 -0.716 -7.621 9.655 469 HB2 ASP 56 2HB ASP 56 1.012 -6.638 11.161 470 HB3 ASP 56 3HB ASP 56 0.414 -5.015 10.789 471 H ASP 57 H ASP 57 -2.809 -7.445 8.963 472 HA ASP 57 HA ASP 57 -3.652 -5.235 7.433 473 HB2 ASP 57 2HB ASP 57 -5.060 -7.604 8.728 474 HB3 ASP 57 3HB ASP 57 -5.953 -6.371 7.828 475 H TYR 58 H TYR 58 -3.742 -5.918 10.940 476 HA TYR 58 HA TYR 58 -5.962 -4.043 11.281 477 HB2 TYR 58 2HB TYR 58 -4.534 -5.958 13.192 478 HB3 TYR 58 3HB TYR 58 -5.873 -4.898 13.651 479 HD1 TYR 58 HD1 TYR 58 -8.150 -5.254 12.611 480 HD2 TYR 58 HD2 TYR 58 -4.925 -8.029 12.048 481 HE1 TYR 58 HE1 TYR 58 -9.769 -6.985 11.900 482 HE2 TYR 58 HE2 TYR 58 -6.538 -9.763 11.325 483 HH TYR 58 HH TYR 58 -10.070 -9.059 11.206 484 H ARG 59 H ARG 59 -2.525 -3.987 11.222 485 HA ARG 59 HA ARG 59 -2.258 -1.995 13.287 486 HB2 ARG 59 2HB ARG 59 -0.458 -3.576 12.832 487 HB3 ARG 59 3HB ARG 59 -0.310 -2.963 11.179 488 HG2 ARG 59 2HG ARG 59 0.409 -0.782 11.982 489 HG3 ARG 59 3HG ARG 59 0.087 -1.240 13.660 490 HD2 ARG 59 2HD ARG 59 1.855 -2.859 13.630 491 HD3 ARG 59 3HD ARG 59 2.100 -2.636 11.893 492 HE ARG 59 HE ARG 59 2.467 -0.140 13.181 493 HH11 ARG 59 1HH1 ARG 59 4.017 -3.289 13.009 494 HH12 ARG 59 2HH1 ARG 59 5.605 -2.648 13.269 495 HH21 ARG 59 1HH2 ARG 59 4.508 0.666 13.525 496 HH22 ARG 59 2HH2 ARG 59 5.888 -0.380 13.566 497 H ASN 60 H ASN 60 -2.091 0.261 13.030 498 HA ASN 60 HA ASN 60 -3.584 1.132 10.735 499 HB2 ASN 60 2HB ASN 60 -2.533 2.536 13.215 500 HB3 ASN 60 3HB ASN 60 -3.416 3.367 11.927 501 HD21 ASN 60 1HD2 ASN 60 -3.728 2.050 14.868 502 HD22 ASN 60 2HD2 ASN 60 -5.425 1.704 14.858 503 H LEU 61 H LEU 61 -2.939 2.987 9.348 504 HA LEU 61 HA LEU 61 -0.337 2.790 8.338 505 HB2 LEU 61 2HB LEU 61 -2.466 4.975 8.165 506 HB3 LEU 61 3HB LEU 61 -0.960 5.005 7.238 507 HG LEU 61 HG LEU 61 -2.997 2.726 7.060 508 HD11 LEU 61 1HD1 LEU 61 -3.706 3.775 4.941 509 HD12 LEU 61 2HD1 LEU 61 -4.017 4.851 6.344 510 HD13 LEU 61 3HD1 LEU 61 -2.618 5.167 5.263 511 HD21 LEU 61 3HD2 LEU 61 -0.682 2.159 6.416 512 HD22 LEU 61 1HD2 LEU 61 -1.761 2.211 4.981 513 HD23 LEU 61 2HD2 LEU 61 -0.637 3.574 5.311 514 H ASN 62 H ASN 62 -1.791 5.109 10.742 515 HA ASN 62 HA ASN 62 0.484 6.697 11.032 516 HB2 ASN 62 2HB ASN 62 -1.715 7.312 11.896 517 HB3 ASN 62 3HB ASN 62 -1.688 5.952 13.026 518 HD21 ASN 62 1HD2 ASN 62 -1.160 6.433 15.000 519 HD22 ASN 62 2HD2 ASN 62 -0.079 7.686 15.513 520 H GLU 63 H GLU 63 -0.460 3.557 12.594 521 HA GLU 63 HA GLU 63 1.626 3.608 14.501 522 HB2 GLU 63 2HB GLU 63 -0.113 1.419 13.290 523 HB3 GLU 63 3HB GLU 63 1.131 1.069 14.498 524 HG2 GLU 63 2HG GLU 63 0.014 2.481 16.153 525 HG3 GLU 63 3HG GLU 63 -1.145 3.059 14.949 526 H TYR 64 H TYR 64 1.456 2.614 11.057 527 HA TYR 64 HA TYR 64 3.941 1.176 11.172 528 HB2 TYR 64 2HB TYR 64 1.910 1.985 9.111 529 HB3 TYR 64 3HB TYR 64 3.560 1.720 8.532 530 HD1 TYR 64 HD1 TYR 64 4.688 -0.538 9.525 531 HD2 TYR 64 HD2 TYR 64 0.473 0.154 9.108 532 HE1 TYR 64 HE1 TYR 64 4.293 -2.982 9.502 533 HE2 TYR 64 HE2 TYR 64 0.070 -2.287 9.086 534 HH TYR 64 HH TYR 64 2.809 -4.611 9.364 535 H GLY 65 H GLY 65 3.021 4.565 11.011 536 HA2 GLY 65 2HA GLY 65 4.497 6.328 11.039 537 HA3 GLY 65 3HA GLY 65 5.798 5.272 10.474 538 H ILE 66 H ILE 66 2.560 5.401 8.882 539 HA ILE 66 HA ILE 66 3.915 5.989 6.416 540 HB ILE 66 HB ILE 66 0.936 5.625 7.026 541 HG12 ILE 66 2HG1 ILE 66 2.246 3.645 7.666 542 HG13 ILE 66 3HG1 ILE 66 1.233 3.320 6.254 543 HG21 ILE 66 1HG2 ILE 66 0.754 5.142 4.607 544 HG22 ILE 66 2HG2 ILE 66 1.355 6.807 4.914 545 HG23 ILE 66 3HG2 ILE 66 2.498 5.518 4.405 546 HD11 ILE 66 3HD1 ILE 66 4.221 3.935 6.200 547 HD12 ILE 66 1HD1 ILE 66 3.459 2.322 5.994 548 HD13 ILE 66 2HD1 ILE 66 3.192 3.605 4.765 549 H THR 67 H THR 67 4.301 8.060 5.692 550 HA THR 67 HA THR 67 2.799 10.174 7.039 551 HB THR 67 HB THR 67 4.653 11.645 6.414 552 HG1 THR 67 HG1 THR 67 6.486 10.716 5.245 553 HG21 THR 67 3HG2 THR 67 5.672 8.966 7.479 554 HG22 THR 67 1HG2 THR 67 6.508 10.548 7.635 555 HG23 THR 67 2HG2 THR 67 4.930 10.282 8.451 556 H GLU 68 H GLU 68 2.874 12.332 5.445 557 HA GLU 68 HA GLU 68 0.970 11.797 3.469 558 HB2 GLU 68 2HB GLU 68 1.255 13.972 4.614 559 HB3 GLU 68 3HB GLU 68 2.843 14.181 3.863 560 HG2 GLU 68 2HG GLU 68 1.788 14.259 1.616 561 HG3 GLU 68 3HG GLU 68 0.196 13.998 2.340 562 H PHE 69 H PHE 69 4.525 11.671 3.388 563 HA PHE 69 HA PHE 69 4.409 11.618 0.441 564 HB2 PHE 69 2HB PHE 69 6.745 12.207 2.324 565 HB3 PHE 69 3HB PHE 69 6.820 12.197 0.557 566 HD1 PHE 69 HD1 PHE 69 5.410 13.888 -0.737 567 HD2 PHE 69 HD2 PHE 69 6.032 14.130 3.507 568 HE1 PHE 69 HE1 PHE 69 4.761 16.277 -0.778 569 HE2 PHE 69 HE2 PHE 69 5.382 16.519 3.465 570 HZ PHE 69 HZ PHE 69 4.745 17.597 1.324 571 H SER 70 H SER 70 3.856 9.348 2.476 572 HA SER 70 HA SER 70 6.093 7.706 2.723 573 HB2 SER 70 2HB SER 70 4.474 5.951 3.196 574 HB3 SER 70 3HB SER 70 3.973 7.457 3.976 575 HG SER 70 HG SER 70 2.543 7.820 2.142 576 H GLU 71 H GLU 71 6.924 5.948 1.507 577 HA GLU 71 HA GLU 71 5.787 5.690 -1.205 578 HB2 GLU 71 2HB GLU 71 8.711 5.681 -0.319 579 HB3 GLU 71 3HB GLU 71 8.157 5.189 -1.925 580 HG2 GLU 71 2HG GLU 71 7.339 7.436 -2.409 581 HG3 GLU 71 3HG GLU 71 7.632 7.958 -0.745 582 H ILE 72 H ILE 72 5.027 3.652 -1.602 583 HA ILE 72 HA ILE 72 6.201 1.499 0.021 584 HB ILE 72 HB ILE 72 4.027 0.346 -0.163 585 HG12 ILE 72 2HG1 ILE 72 2.986 2.882 -1.506 586 HG13 ILE 72 3HG1 ILE 72 3.453 1.429 -2.399 587 HG21 ILE 72 1HG2 ILE 72 2.684 1.856 1.261 588 HG22 ILE 72 2HG2 ILE 72 4.411 1.829 1.755 589 HG23 ILE 72 3HG2 ILE 72 3.764 3.222 0.824 590 HD11 ILE 72 3HD1 ILE 72 1.276 1.587 -0.266 591 HD12 ILE 72 1HD1 ILE 72 1.027 1.507 -2.043 592 HD13 ILE 72 2HD1 ILE 72 1.750 0.112 -1.173 593 H VAL 73 H VAL 73 6.762 -0.471 -1.044 594 HA VAL 73 HA VAL 73 6.677 -0.314 -3.963 595 HB VAL 73 HB VAL 73 8.251 -2.137 -2.074 596 HG11 VAL 73 1HG1 VAL 73 9.463 -2.846 -4.113 597 HG12 VAL 73 2HG1 VAL 73 7.718 -3.264 -4.193 598 HG13 VAL 73 3HG1 VAL 73 8.347 -1.857 -5.114 599 HG21 VAL 73 3HG2 VAL 73 9.023 0.196 -2.031 600 HG22 VAL 73 1HG2 VAL 73 10.213 -0.856 -2.869 601 HG23 VAL 73 2HG2 VAL 73 9.126 0.208 -3.824 602 H VAL 74 H VAL 74 5.298 -1.631 -5.136 603 HA VAL 74 HA VAL 74 4.020 -3.810 -3.630 604 HB VAL 74 HB VAL 74 2.741 -1.923 -5.675 605 HG11 VAL 74 1HG1 VAL 74 0.640 -3.105 -5.112 606 HG12 VAL 74 2HG1 VAL 74 1.857 -4.212 -5.833 607 HG13 VAL 74 3HG1 VAL 74 1.563 -4.234 -4.062 608 HG21 VAL 74 3HG2 VAL 74 3.104 -0.846 -3.493 609 HG22 VAL 74 1HG2 VAL 74 1.358 -1.168 -3.765 610 HG23 VAL 74 2HG2 VAL 74 2.306 -2.226 -2.666 611 H PHE 75 H PHE 75 3.897 -5.810 -4.704 612 HA PHE 75 HA PHE 75 5.421 -5.835 -7.219 613 HB2 PHE 75 2HB PHE 75 4.964 -7.989 -5.097 614 HB3 PHE 75 3HB PHE 75 5.915 -8.198 -6.573 615 HD1 PHE 75 HD1 PHE 75 8.105 -7.137 -6.826 616 HD2 PHE 75 HD2 PHE 75 5.799 -6.632 -3.238 617 HE1 PHE 75 HE1 PHE 75 10.113 -6.287 -5.657 618 HE2 PHE 75 HE2 PHE 75 7.807 -5.775 -2.070 619 HZ PHE 75 HZ PHE 75 9.967 -5.601 -3.275 620 H LEU 76 H LEU 76 4.642 -6.916 -9.063 621 HA LEU 76 HA LEU 76 1.757 -7.402 -8.957 622 HB2 LEU 76 2HB LEU 76 2.640 -5.798 -10.612 623 HB3 LEU 76 3HB LEU 76 3.743 -7.023 -11.252 624 HG LEU 76 HG LEU 76 1.704 -8.406 -11.917 625 HD11 LEU 76 1HD1 LEU 76 -0.460 -7.226 -12.040 626 HD12 LEU 76 2HD1 LEU 76 0.103 -7.395 -10.343 627 HD13 LEU 76 3HD1 LEU 76 0.257 -5.818 -11.187 628 HD21 LEU 76 3HD2 LEU 76 2.962 -7.005 -13.512 629 HD22 LEU 76 1HD2 LEU 76 1.205 -6.993 -13.884 630 HD23 LEU 76 2HD2 LEU 76 1.959 -5.584 -13.063 631 H LYS 77 H LYS 77 0.881 -9.429 -9.058 632 HA LYS 77 HA LYS 77 2.637 -11.579 -10.056 633 HB2 LYS 77 2HB LYS 77 0.654 -11.633 -7.733 634 HB3 LYS 77 3HB LYS 77 1.446 -13.060 -8.412 635 HG2 LYS 77 2HG LYS 77 2.862 -10.699 -7.078 636 HG3 LYS 77 3HG LYS 77 2.560 -12.278 -6.341 637 HD2 LYS 77 2HD LYS 77 3.915 -13.363 -8.171 638 HD3 LYS 77 3HD LYS 77 4.257 -11.763 -8.842 639 HE2 LYS 77 2HE LYS 77 5.307 -11.094 -6.652 640 HE3 LYS 77 3HE LYS 77 5.011 -12.723 -6.032 641 HZ1 LYS 77 3HZ LYS 77 6.687 -12.073 -8.372 642 HZ2 LYS 77 1HZ LYS 77 7.233 -12.494 -6.892 643 HZ3 LYS 77 2HZ LYS 77 6.414 -13.577 -7.799 644 H SER 78 H SER 78 1.440 -10.821 -12.150 645 HA SER 78 HA SER 78 -0.495 -12.826 -12.663 646 HB2 SER 78 2HB SER 78 -2.405 -11.402 -13.212 647 HB3 SER 78 3HB SER 78 -1.970 -11.150 -11.516 648 HG SER 78 HG SER 78 -1.837 -9.089 -12.024 649 H ILE 79 H ILE 79 -1.113 -12.846 -15.012 650 HA ILE 79 HA ILE 79 0.791 -11.244 -16.578 651 HB ILE 79 HB ILE 79 -0.314 -14.053 -17.082 652 HG12 ILE 79 2HG1 ILE 79 2.554 -13.085 -16.682 653 HG13 ILE 79 3HG1 ILE 79 1.555 -13.773 -15.395 654 HG21 ILE 79 1HG2 ILE 79 1.092 -14.042 -19.117 655 HG22 ILE 79 2HG2 ILE 79 -0.190 -12.785 -19.182 656 HG23 ILE 79 3HG2 ILE 79 1.506 -12.320 -18.816 657 HD11 ILE 79 3HD1 ILE 79 2.369 -15.193 -17.972 658 HD12 ILE 79 1HD1 ILE 79 3.067 -15.460 -16.339 659 HD13 ILE 79 2HD1 ILE 79 1.354 -15.891 -16.665 660 H ASN 80 H ASN 80 -2.511 -12.800 -16.533 661 HA ASN 80 HA ASN 80 -3.365 -11.735 -18.964 662 HB2 ASN 80 2HB ASN 80 -4.847 -12.596 -16.459 663 HB3 ASN 80 3HB ASN 80 -5.676 -12.046 -17.921 664 HD21 ASN 80 1HD2 ASN 80 -6.076 -14.538 -16.867 665 HD22 ASN 80 2HD2 ASN 80 -5.510 -15.713 -18.007 666 H ARG 81 H ARG 81 -4.939 -9.958 -19.369 667 HA ARG 81 HA ARG 81 -4.517 -7.767 -17.445 668 HB2 ARG 81 2HB ARG 81 -4.589 -7.604 -20.468 669 HB3 ARG 81 3HB ARG 81 -4.544 -6.225 -19.362 670 HG2 ARG 81 2HG ARG 81 -2.350 -6.929 -18.512 671 HG3 ARG 81 3HG ARG 81 -2.399 -8.386 -19.513 672 HD2 ARG 81 2HD ARG 81 -2.455 -6.969 -21.535 673 HD3 ARG 81 3HD ARG 81 -2.343 -5.532 -20.511 674 HE ARG 81 HE ARG 81 -0.164 -7.138 -19.825 675 HH11 ARG 81 1HH1 ARG 81 -1.338 -5.569 -22.742 676 HH12 ARG 81 2HH1 ARG 81 0.251 -5.314 -23.381 677 HH21 ARG 81 1HH2 ARG 81 1.864 -6.815 -20.664 678 HH22 ARG 81 2HH2 ARG 81 2.088 -6.029 -22.191 679 H ALA 82 H ALA 82 -6.220 -5.877 -18.001 680 HA ALA 82 HA ALA 82 -8.757 -7.012 -18.909 681 HB1 ALA 82 3HB ALA 82 -8.343 -5.623 -16.217 682 HB2 ALA 82 1HB ALA 82 -9.929 -6.058 -16.941 683 HB3 ALA 82 2HB ALA 82 -8.772 -7.349 -16.471 684 H LYS 83 H LYS 83 -10.243 -5.415 -19.716 685 HA LYS 83 HA LYS 83 -9.104 -3.332 -21.083 686 HB2 LYS 83 2HB LYS 83 -11.339 -4.308 -21.520 687 HB3 LYS 83 3HB LYS 83 -11.955 -3.607 -20.018 688 HG2 LYS 83 2HG LYS 83 -11.557 -1.320 -20.902 689 HG3 LYS 83 3HG LYS 83 -10.887 -1.998 -22.391 690 HD2 LYS 83 2HD LYS 83 -13.058 -3.110 -22.886 691 HD3 LYS 83 3HD LYS 83 -13.734 -2.498 -21.370 692 HE2 LYS 83 2HE LYS 83 -13.365 -0.150 -22.153 693 HE3 LYS 83 3HE LYS 83 -12.687 -0.761 -23.668 694 HZ1 LYS 83 3HZ LYS 83 -15.441 -1.241 -22.721 695 HZ2 LYS 83 1HZ LYS 83 -15.002 -0.198 -23.899 696 HZ3 LYS 83 2HZ LYS 83 -14.815 -1.805 -24.120 697 H ASP 84 H ASP 84 -10.904 -3.121 -17.898 698 HA ASP 84 HA ASP 84 -10.330 -0.365 -17.576 699 HB2 ASP 84 2HB ASP 84 -11.176 -2.607 -15.691 700 HB3 ASP 84 3HB ASP 84 -10.910 -0.952 -15.129 Start of MODEL 12 1 H ALA 1 1H ALA 1 -10.233 21.977 2.422 2 HA ALA 1 HA ALA 1 -8.260 21.681 3.694 3 HB1 ALA 1 3HB ALA 1 -10.867 21.046 5.162 4 HB2 ALA 1 1HB ALA 1 -9.356 21.649 5.923 5 HB3 ALA 1 2HB ALA 1 -10.247 22.681 4.753 6 H ALA 2 H ALA 2 -6.691 20.209 4.168 7 HA ALA 2 HA ALA 2 -7.436 17.404 4.284 8 HB1 ALA 2 3HB ALA 2 -4.745 18.849 4.417 9 HB2 ALA 2 1HB ALA 2 -4.976 17.070 4.328 10 HB3 ALA 2 2HB ALA 2 -5.487 18.112 2.957 11 H VAL 3 H VAL 3 -8.199 16.617 6.210 12 HA VAL 3 HA VAL 3 -6.711 17.456 8.602 13 HB VAL 3 HB VAL 3 -9.703 16.852 8.356 14 HG11 VAL 3 1HG1 VAL 3 -9.798 17.468 10.754 15 HG12 VAL 3 2HG1 VAL 3 -8.767 16.025 10.475 16 HG13 VAL 3 3HG1 VAL 3 -8.009 17.624 10.780 17 HG21 VAL 3 3HG2 VAL 3 -9.097 19.065 7.474 18 HG22 VAL 3 1HG2 VAL 3 -9.989 19.218 9.025 19 HG23 VAL 3 2HG2 VAL 3 -8.207 19.440 8.989 20 H ARG 4 H ARG 4 -5.425 15.666 9.061 21 HA ARG 4 HA ARG 4 -4.845 13.597 9.552 22 HB2 ARG 4 2HB ARG 4 -7.807 13.061 9.896 23 HB3 ARG 4 3HB ARG 4 -6.490 11.992 10.398 24 HG2 ARG 4 2HG ARG 4 -5.669 13.688 11.979 25 HG3 ARG 4 3HG ARG 4 -6.906 14.830 11.435 26 HD2 ARG 4 2HD ARG 4 -8.644 13.193 12.181 27 HD3 ARG 4 3HD ARG 4 -7.347 12.199 12.858 28 HE ARG 4 HE ARG 4 -7.085 14.805 13.914 29 HH11 ARG 4 1HH1 ARG 4 -9.367 12.137 14.041 30 HH12 ARG 4 2HH1 ARG 4 -9.897 12.516 15.646 31 HH21 ARG 4 1HH2 ARG 4 -7.779 15.285 15.965 32 HH22 ARG 4 2HH2 ARG 4 -8.986 14.324 16.752 33 H LYS 5 H LYS 5 -5.654 14.468 6.691 34 HA LYS 5 HA LYS 5 -5.963 11.750 5.607 35 HB2 LYS 5 2HB LYS 5 -6.110 14.495 4.267 36 HB3 LYS 5 3HB LYS 5 -6.329 12.942 3.449 37 HG2 LYS 5 2HG LYS 5 -8.105 13.965 5.721 38 HG3 LYS 5 3HG LYS 5 -8.478 14.137 4.000 39 HD2 LYS 5 2HD LYS 5 -8.300 11.598 3.785 40 HD3 LYS 5 3HD LYS 5 -8.129 11.513 5.543 41 HE2 LYS 5 2HE LYS 5 -10.335 12.738 5.771 42 HE3 LYS 5 3HE LYS 5 -10.510 12.686 4.011 43 HZ1 LYS 5 3HZ LYS 5 -10.332 10.345 5.797 44 HZ2 LYS 5 1HZ LYS 5 -11.667 10.873 5.020 45 HZ3 LYS 5 2HZ LYS 5 -10.415 10.261 4.169 46 H ILE 6 H ILE 6 -4.374 10.850 4.209 47 HA ILE 6 HA ILE 6 -1.966 12.472 3.843 48 HB ILE 6 HB ILE 6 -0.577 10.439 4.353 49 HG12 ILE 6 2HG1 ILE 6 -3.199 9.322 5.457 50 HG13 ILE 6 3HG1 ILE 6 -2.417 8.781 3.966 51 HG21 ILE 6 1HG2 ILE 6 -0.783 10.591 6.812 52 HG22 ILE 6 2HG2 ILE 6 -0.875 12.206 6.031 53 HG23 ILE 6 3HG2 ILE 6 -2.371 11.408 6.625 54 HD11 ILE 6 3HD1 ILE 6 -1.219 8.612 6.768 55 HD12 ILE 6 1HD1 ILE 6 -1.925 7.256 5.825 56 HD13 ILE 6 2HD1 ILE 6 -0.426 8.063 5.253 57 H HIS 7 H HIS 7 -0.701 11.885 1.940 58 HA HIS 7 HA HIS 7 -2.141 10.101 0.101 59 HB2 HIS 7 2HB HIS 7 0.029 12.214 -0.334 60 HB3 HIS 7 3HB HIS 7 -0.583 11.148 -1.606 61 HD2 HIS 7 HD2 HIS 7 -1.590 14.414 0.256 62 HE1 HIS 7 HE1 HIS 7 -4.762 13.409 -2.441 63 H VAL 8 H VAL 8 -1.057 8.341 -0.944 64 HA VAL 8 HA VAL 8 1.595 7.748 0.179 65 HB VAL 8 HB VAL 8 -0.673 5.793 -0.461 66 HG11 VAL 8 1HG1 VAL 8 0.855 4.063 0.431 67 HG12 VAL 8 2HG1 VAL 8 1.526 4.858 -1.034 68 HG13 VAL 8 3HG1 VAL 8 2.150 5.297 0.592 69 HG21 VAL 8 3HG2 VAL 8 -1.028 7.027 1.635 70 HG22 VAL 8 1HG2 VAL 8 -0.613 5.311 1.967 71 HG23 VAL 8 2HG2 VAL 8 0.626 6.592 2.186 72 H THR 9 H THR 9 3.191 7.293 -1.341 73 HA THR 9 HA THR 9 2.388 7.353 -4.115 74 HB THR 9 HB THR 9 5.134 7.196 -2.761 75 HG1 THR 9 HG1 THR 9 5.216 9.443 -3.491 76 HG21 THR 9 3HG2 THR 9 4.383 7.656 -5.690 77 HG22 THR 9 1HG2 THR 9 6.036 7.766 -4.997 78 HG23 THR 9 2HG2 THR 9 5.173 6.191 -5.015 79 H VAL 10 H VAL 10 2.006 5.510 -5.311 80 HA VAL 10 HA VAL 10 2.857 2.989 -4.102 81 HB VAL 10 HB VAL 10 0.864 3.518 -6.365 82 HG11 VAL 10 1HG1 VAL 10 0.122 1.202 -5.901 83 HG12 VAL 10 2HG1 VAL 10 1.843 1.263 -6.411 84 HG13 VAL 10 3HG1 VAL 10 1.427 1.034 -4.679 85 HG21 VAL 10 3HG2 VAL 10 0.100 4.533 -4.262 86 HG22 VAL 10 1HG2 VAL 10 -0.881 3.085 -4.666 87 HG23 VAL 10 2HG2 VAL 10 0.385 2.986 -3.396 88 H LYS 11 H LYS 11 4.713 2.058 -4.914 89 HA LYS 11 HA LYS 11 5.525 2.890 -7.618 90 HB2 LYS 11 2HB LYS 11 7.111 1.819 -5.235 91 HB3 LYS 11 3HB LYS 11 7.799 2.144 -6.832 92 HG2 LYS 11 2HG LYS 11 7.138 4.556 -6.603 93 HG3 LYS 11 3HG LYS 11 6.511 4.216 -4.985 94 HD2 LYS 11 2HD LYS 11 8.796 3.403 -4.296 95 HD3 LYS 11 3HD LYS 11 9.409 3.814 -5.903 96 HE2 LYS 11 2HE LYS 11 8.674 6.207 -5.526 97 HE3 LYS 11 3HE LYS 11 8.182 5.767 -3.885 98 HZ1 LYS 11 3HZ LYS 11 10.883 5.876 -5.002 99 HZ2 LYS 11 1HZ LYS 11 10.310 6.544 -3.627 100 HZ3 LYS 11 2HZ LYS 11 10.584 4.936 -3.701 101 H PHE 12 H PHE 12 5.083 1.377 -9.199 102 HA PHE 12 HA PHE 12 5.629 -1.430 -8.495 103 HB2 PHE 12 2HB PHE 12 4.296 -0.150 -10.931 104 HB3 PHE 12 3HB PHE 12 4.598 -1.882 -10.740 105 HD1 PHE 12 HD1 PHE 12 3.357 -3.200 -9.051 106 HD2 PHE 12 HD2 PHE 12 2.516 0.960 -9.717 107 HE1 PHE 12 HE1 PHE 12 1.198 -3.446 -7.868 108 HE2 PHE 12 HE2 PHE 12 0.358 0.714 -8.532 109 HZ PHE 12 HZ PHE 12 -0.306 -1.489 -7.602 110 HA PRO 13 HA PRO 13 9.461 -1.719 -10.531 111 HB2 PRO 13 2HB PRO 13 8.193 -3.720 -12.472 112 HB3 PRO 13 3HB PRO 13 9.661 -3.910 -11.505 113 HG2 PRO 13 2HG PRO 13 7.434 -5.139 -10.726 114 HG3 PRO 13 3HG PRO 13 8.455 -4.358 -9.511 115 HD2 PRO 13 2HD PRO 13 5.826 -3.404 -10.690 116 HD3 PRO 13 3HD PRO 13 6.423 -3.249 -9.033 117 H SER 14 H SER 14 6.665 -1.271 -12.745 118 HA SER 14 HA SER 14 8.586 -0.076 -14.647 119 HB2 SER 14 2HB SER 14 7.189 -0.979 -16.446 120 HB3 SER 14 3HB SER 14 7.822 -2.278 -15.427 121 HG SER 14 HG SER 14 5.576 -2.550 -15.916 122 H LYS 15 H LYS 15 6.097 0.588 -12.479 123 HA LYS 15 HA LYS 15 5.298 2.967 -13.891 124 HB2 LYS 15 2HB LYS 15 2.926 2.441 -13.982 125 HB3 LYS 15 3HB LYS 15 3.834 1.265 -14.941 126 HG2 LYS 15 2HG LYS 15 3.694 -0.360 -13.021 127 HG3 LYS 15 3HG LYS 15 2.713 0.812 -12.131 128 HD2 LYS 15 2HD LYS 15 1.043 0.803 -14.030 129 HD3 LYS 15 3HD LYS 15 2.005 -0.444 -14.835 130 HE2 LYS 15 2HE LYS 15 1.693 -1.971 -12.904 131 HE3 LYS 15 3HE LYS 15 0.799 -0.718 -12.032 132 HZ1 LYS 15 3HZ LYS 15 -0.027 -2.212 -14.410 133 HZ2 LYS 15 1HZ LYS 15 -0.827 -1.995 -13.003 134 HZ3 LYS 15 2HZ LYS 15 -0.713 -0.769 -14.075 135 H GLN 16 H GLN 16 3.768 4.312 -12.494 136 HA GLN 16 HA GLN 16 3.751 3.465 -9.693 137 HB2 GLN 16 2HB GLN 16 4.918 6.092 -10.736 138 HB3 GLN 16 3HB GLN 16 4.556 5.759 -9.038 139 HG2 GLN 16 2HG GLN 16 6.172 3.838 -9.100 140 HG3 GLN 16 3HG GLN 16 6.568 4.254 -10.773 141 HE21 GLN 16 1HE2 GLN 16 8.722 4.283 -9.411 142 HE22 GLN 16 2HE2 GLN 16 9.225 5.851 -8.874 143 H PHE 17 H PHE 17 2.053 4.467 -8.445 144 HA PHE 17 HA PHE 17 0.469 6.498 -9.849 145 HB2 PHE 17 2HB PHE 17 -0.655 4.005 -8.478 146 HB3 PHE 17 3HB PHE 17 -1.616 5.369 -9.064 147 HD1 PHE 17 HD1 PHE 17 -1.734 5.845 -11.525 148 HD2 PHE 17 HD2 PHE 17 0.149 2.311 -9.967 149 HE1 PHE 17 HE1 PHE 17 -1.878 4.785 -13.758 150 HE2 PHE 17 HE2 PHE 17 0.007 1.253 -12.201 151 HZ PHE 17 HZ PHE 17 -1.008 2.485 -14.099 152 H THR 18 H THR 18 -0.792 7.879 -8.374 153 HA THR 18 HA THR 18 0.173 7.690 -5.612 154 HB THR 18 HB THR 18 -1.112 10.014 -7.142 155 HG1 THR 18 HG1 THR 18 1.051 10.923 -6.865 156 HG21 THR 18 3HG2 THR 18 0.016 9.872 -4.305 157 HG22 THR 18 1HG2 THR 18 -0.556 11.357 -5.137 158 HG23 THR 18 2HG2 THR 18 -1.715 10.040 -4.750 159 H VAL 19 H VAL 19 -1.293 7.424 -3.889 160 HA VAL 19 HA VAL 19 -4.133 7.461 -4.635 161 HB VAL 19 HB VAL 19 -4.489 5.579 -3.037 162 HG11 VAL 19 1HG1 VAL 19 -3.530 3.790 -4.456 163 HG12 VAL 19 2HG1 VAL 19 -4.238 5.116 -5.440 164 HG13 VAL 19 3HG1 VAL 19 -2.457 4.996 -5.243 165 HG21 VAL 19 3HG2 VAL 19 -2.533 5.943 -1.599 166 HG22 VAL 19 1HG2 VAL 19 -2.550 4.267 -2.244 167 HG23 VAL 19 2HG2 VAL 19 -1.439 5.490 -2.949 168 H GLU 20 H GLU 20 -5.614 7.866 -2.729 169 HA GLU 20 HA GLU 20 -4.208 9.435 -0.659 170 HB2 GLU 20 2HB GLU 20 -5.464 10.860 -2.238 171 HB3 GLU 20 3HB GLU 20 -6.925 9.898 -1.979 172 HG2 GLU 20 2HG GLU 20 -6.957 10.592 0.418 173 HG3 GLU 20 3HG GLU 20 -5.496 11.554 0.159 174 H VAL 21 H VAL 21 -4.581 8.839 1.454 175 HA VAL 21 HA VAL 21 -6.927 7.162 1.956 176 HB VAL 21 HB VAL 21 -5.530 5.689 3.411 177 HG11 VAL 21 1HG1 VAL 21 -4.441 4.425 1.583 178 HG12 VAL 21 2HG1 VAL 21 -6.078 4.998 1.117 179 HG13 VAL 21 3HG1 VAL 21 -4.621 5.847 0.500 180 HG21 VAL 21 3HG2 VAL 21 -3.695 7.256 3.867 181 HG22 VAL 21 1HG2 VAL 21 -3.070 5.725 3.167 182 HG23 VAL 21 2HG2 VAL 21 -3.197 7.195 2.143 183 H ASP 22 H ASP 22 -7.178 6.864 4.492 184 HA ASP 22 HA ASP 22 -6.715 9.489 5.699 185 HB2 ASP 22 2HB ASP 22 -8.991 8.293 5.645 186 HB3 ASP 22 3HB ASP 22 -8.306 7.120 6.778 187 H ARG 23 H ARG 23 -5.640 9.757 7.737 188 HA ARG 23 HA ARG 23 -3.388 8.086 7.987 189 HB2 ARG 23 2HB ARG 23 -3.338 10.459 8.512 190 HB3 ARG 23 3HB ARG 23 -4.478 10.220 9.842 191 HG2 ARG 23 2HG ARG 23 -2.849 8.832 11.044 192 HG3 ARG 23 3HG ARG 23 -1.719 8.929 9.687 193 HD2 ARG 23 2HD ARG 23 -1.443 11.299 10.006 194 HD3 ARG 23 3HD ARG 23 -2.708 11.326 11.242 195 HE ARG 23 HE ARG 23 -0.655 9.513 12.025 196 HH11 ARG 23 1HH1 ARG 23 -1.203 12.963 11.638 197 HH12 ARG 23 2HH1 ARG 23 -0.086 13.396 12.889 198 HH21 ARG 23 1HH2 ARG 23 0.783 10.084 13.614 199 HH22 ARG 23 2HH2 ARG 23 1.055 11.745 14.023 200 H THR 24 H THR 24 -6.613 8.062 9.542 201 HA THR 24 HA THR 24 -5.611 6.465 11.735 202 HB THR 24 HB THR 24 -7.928 6.597 12.579 203 HG1 THR 24 HG1 THR 24 -8.457 8.058 10.115 204 HG21 THR 24 3HG2 THR 24 -6.916 9.271 11.491 205 HG22 THR 24 1HG2 THR 24 -8.095 9.058 12.829 206 HG23 THR 24 2HG2 THR 24 -6.403 8.487 13.023 207 H GLU 25 H GLU 25 -6.527 5.832 8.520 208 HA GLU 25 HA GLU 25 -8.043 3.434 9.056 209 HB2 GLU 25 2HB GLU 25 -6.906 4.793 6.580 210 HB3 GLU 25 3HB GLU 25 -7.602 3.169 6.502 211 HG2 GLU 25 2HG GLU 25 -9.135 5.558 7.624 212 HG3 GLU 25 3HG GLU 25 -9.148 5.136 5.907 213 H THR 26 H THR 26 -7.316 1.259 8.253 214 HA THR 26 HA THR 26 -4.545 0.871 9.005 215 HB THR 26 HB THR 26 -5.126 -1.542 8.936 216 HG1 THR 26 HG1 THR 26 -7.483 -2.002 8.581 217 HG21 THR 26 3HG2 THR 26 -7.210 0.172 10.377 218 HG22 THR 26 1HG2 THR 26 -6.810 -1.537 10.755 219 HG23 THR 26 2HG2 THR 26 -5.577 -0.252 10.993 220 H VAL 27 H VAL 27 -3.383 -1.008 7.631 221 HA VAL 27 HA VAL 27 -2.920 0.172 5.126 222 HB VAL 27 HB VAL 27 -1.425 -1.782 4.750 223 HG11 VAL 27 1HG1 VAL 27 0.062 -1.421 6.696 224 HG12 VAL 27 2HG1 VAL 27 -0.626 0.121 6.085 225 HG13 VAL 27 3HG1 VAL 27 -1.290 -0.629 7.575 226 HG21 VAL 27 3HG2 VAL 27 -2.841 -3.529 5.742 227 HG22 VAL 27 1HG2 VAL 27 -1.213 -3.521 6.499 228 HG23 VAL 27 2HG2 VAL 27 -2.612 -2.808 7.371 229 H SER 28 H SER 28 -5.230 -2.275 6.215 230 HA SER 28 HA SER 28 -5.483 -3.714 3.800 231 HB2 SER 28 2HB SER 28 -7.503 -4.563 4.782 232 HB3 SER 28 3HB SER 28 -6.303 -4.408 6.071 233 HG SER 28 HG SER 28 -7.300 -2.492 6.773 234 H SER 29 H SER 29 -6.838 -0.575 4.929 235 HA SER 29 HA SER 29 -8.641 -0.320 2.730 236 HB2 SER 29 2HB SER 29 -7.321 1.693 4.605 237 HB3 SER 29 3HB SER 29 -8.564 2.106 3.416 238 HG SER 29 HG SER 29 -9.256 1.626 5.688 239 H LEU 30 H LEU 30 -5.178 0.577 3.322 240 HA LEU 30 HA LEU 30 -4.883 2.116 0.983 241 HB2 LEU 30 2HB LEU 30 -3.297 2.208 2.837 242 HB3 LEU 30 3HB LEU 30 -2.931 0.485 2.675 243 HG LEU 30 HG LEU 30 -1.917 0.917 0.425 244 HD11 LEU 30 1HD1 LEU 30 -1.497 3.246 -0.271 245 HD12 LEU 30 2HD1 LEU 30 -3.255 2.892 -0.182 246 HD13 LEU 30 3HD1 LEU 30 -2.463 3.839 1.122 247 HD21 LEU 30 3HD2 LEU 30 -0.534 0.907 2.473 248 HD22 LEU 30 1HD2 LEU 30 0.085 2.098 1.279 249 HD23 LEU 30 2HD2 LEU 30 -0.853 2.660 2.703 250 H LYS 31 H LYS 31 -4.363 -1.435 1.636 251 HA LYS 31 HA LYS 31 -3.280 -1.899 -0.952 252 HB2 LYS 31 2HB LYS 31 -3.240 -4.173 -0.304 253 HB3 LYS 31 3HB LYS 31 -2.933 -3.263 1.181 254 HG2 LYS 31 2HG LYS 31 -5.363 -3.530 1.803 255 HG3 LYS 31 3HG LYS 31 -5.597 -4.521 0.357 256 HD2 LYS 31 2HD LYS 31 -3.826 -6.110 1.186 257 HD3 LYS 31 3HD LYS 31 -3.657 -5.133 2.651 258 HE2 LYS 31 2HE LYS 31 -6.087 -5.517 3.166 259 HE3 LYS 31 3HE LYS 31 -6.221 -6.529 1.722 260 HZ1 LYS 31 3HZ LYS 31 -4.686 -7.066 4.164 261 HZ2 LYS 31 1HZ LYS 31 -5.831 -7.989 3.455 262 HZ3 LYS 31 2HZ LYS 31 -4.352 -7.857 2.775 263 H ASP 32 H ASP 32 -6.603 -2.016 0.459 264 HA ASP 32 HA ASP 32 -7.840 -3.359 -1.660 265 HB2 ASP 32 2HB ASP 32 -8.853 -2.875 0.566 266 HB3 ASP 32 3HB ASP 32 -8.903 -1.152 0.168 267 H LYS 33 H LYS 33 -7.126 0.183 -1.162 268 HA LYS 33 HA LYS 33 -8.479 0.993 -3.513 269 HB2 LYS 33 2HB LYS 33 -6.323 2.236 -1.751 270 HB3 LYS 33 3HB LYS 33 -6.967 3.059 -3.178 271 HG2 LYS 33 2HG LYS 33 -9.230 3.064 -2.220 272 HG3 LYS 33 3HG LYS 33 -8.690 2.093 -0.843 273 HD2 LYS 33 2HD LYS 33 -7.140 3.916 -0.146 274 HD3 LYS 33 3HD LYS 33 -7.631 4.883 -1.542 275 HE2 LYS 33 2HE LYS 33 -9.943 5.008 -0.716 276 HE3 LYS 33 3HE LYS 33 -9.575 3.891 0.605 277 HZ1 LYS 33 3HZ LYS 33 -8.101 6.411 0.330 278 HZ2 LYS 33 1HZ LYS 33 -9.552 6.367 1.077 279 HZ3 LYS 33 2HZ LYS 33 -8.306 5.489 1.662 280 H ILE 34 H ILE 34 -5.027 0.071 -2.807 281 HA ILE 34 HA ILE 34 -4.057 0.599 -5.365 282 HB ILE 34 HB ILE 34 -3.282 -1.487 -3.267 283 HG12 ILE 34 2HG1 ILE 34 -1.877 1.093 -4.087 284 HG13 ILE 34 3HG1 ILE 34 -3.075 1.022 -2.787 285 HG21 ILE 34 1HG2 ILE 34 -1.160 -1.729 -4.513 286 HG22 ILE 34 2HG2 ILE 34 -2.571 -2.261 -5.488 287 HG23 ILE 34 3HG2 ILE 34 -1.806 -0.669 -5.811 288 HD11 ILE 34 3HD1 ILE 34 -0.463 -0.552 -2.891 289 HD12 ILE 34 1HD1 ILE 34 -0.793 0.905 -1.894 290 HD13 ILE 34 2HD1 ILE 34 -1.678 -0.624 -1.571 291 H HIS 35 H HIS 35 -5.833 -2.256 -4.003 292 HA HIS 35 HA HIS 35 -5.465 -3.906 -6.265 293 HB2 HIS 35 2HB HIS 35 -6.131 -4.909 -4.195 294 HB3 HIS 35 3HB HIS 35 -7.488 -3.794 -3.990 295 HD2 HIS 35 HD2 HIS 35 -9.875 -4.855 -4.806 296 HE1 HIS 35 HE1 HIS 35 -8.314 -7.916 -7.361 297 H ILE 36 H ILE 36 -7.953 -1.408 -5.392 298 HA ILE 36 HA ILE 36 -9.653 -1.940 -7.546 299 HB ILE 36 HB ILE 36 -9.064 0.577 -5.919 300 HG12 ILE 36 2HG1 ILE 36 -11.522 -1.231 -5.982 301 HG13 ILE 36 3HG1 ILE 36 -10.168 -1.472 -4.869 302 HG21 ILE 36 1HG2 ILE 36 -11.111 1.548 -6.914 303 HG22 ILE 36 2HG2 ILE 36 -9.838 1.262 -8.149 304 HG23 ILE 36 3HG2 ILE 36 -11.235 0.140 -8.023 305 HD11 ILE 36 3HD1 ILE 36 -11.910 1.027 -5.041 306 HD12 ILE 36 1HD1 ILE 36 -11.998 -0.252 -3.783 307 HD13 ILE 36 2HD1 ILE 36 -10.536 0.782 -3.911 308 H VAL 37 H VAL 37 -6.694 0.147 -7.237 309 HA VAL 37 HA VAL 37 -6.957 1.310 -9.786 310 HB VAL 37 HB VAL 37 -4.571 0.849 -7.933 311 HG11 VAL 37 1HG1 VAL 37 -3.337 2.459 -9.354 312 HG12 VAL 37 2HG1 VAL 37 -3.768 0.966 -10.254 313 HG13 VAL 37 3HG1 VAL 37 -4.706 2.474 -10.516 314 HG21 VAL 37 3HG2 VAL 37 -6.287 2.397 -7.099 315 HG22 VAL 37 1HG2 VAL 37 -4.786 3.282 -7.537 316 HG23 VAL 37 2HG2 VAL 37 -6.209 3.329 -8.632 317 H GLU 38 H GLU 38 -5.388 -1.727 -8.580 318 HA GLU 38 HA GLU 38 -4.312 -2.205 -11.258 319 HB2 GLU 38 2HB GLU 38 -3.962 -3.623 -8.574 320 HB3 GLU 38 3HB GLU 38 -3.229 -4.168 -10.088 321 HG2 GLU 38 2HG GLU 38 -2.703 -1.499 -8.691 322 HG3 GLU 38 3HG GLU 38 -1.619 -2.896 -8.720 323 H ASN 39 H ASN 39 -4.342 -4.927 -11.535 324 HA ASN 39 HA ASN 39 -7.161 -5.685 -11.168 325 HB2 ASN 39 2HB ASN 39 -7.086 -6.841 -13.319 326 HB3 ASN 39 3HB ASN 39 -6.825 -5.102 -13.503 327 HD21 ASN 39 1HD2 ASN 39 -6.100 -6.198 -15.606 328 HD22 ASN 39 2HD2 ASN 39 -4.388 -6.417 -15.743 329 H THR 40 H THR 40 -4.615 -6.225 -9.548 330 HA THR 40 HA THR 40 -4.528 -9.133 -9.959 331 HB THR 40 HB THR 40 -2.524 -7.238 -8.624 332 HG1 THR 40 HG1 THR 40 -2.166 -8.987 -10.913 333 HG21 THR 40 3HG2 THR 40 -2.435 -10.272 -9.004 334 HG22 THR 40 1HG2 THR 40 -1.102 -9.251 -8.368 335 HG23 THR 40 2HG2 THR 40 -2.635 -9.404 -7.445 336 HA PRO 41 HA PRO 41 -6.944 -9.512 -6.256 337 HB2 PRO 41 2HB PRO 41 -5.350 -12.118 -6.065 338 HB3 PRO 41 3HB PRO 41 -7.100 -11.892 -5.948 339 HG2 PRO 41 2HG PRO 41 -6.067 -12.882 -8.195 340 HG3 PRO 41 3HG PRO 41 -7.369 -11.690 -8.297 341 HD2 PRO 41 2HD PRO 41 -4.397 -11.313 -8.771 342 HD3 PRO 41 3HD PRO 41 -5.762 -10.574 -9.618 343 H ILE 42 H ILE 42 -6.801 -9.118 -4.097 344 HA ILE 42 HA ILE 42 -4.421 -8.002 -3.209 345 HB ILE 42 HB ILE 42 -6.917 -8.994 -1.756 346 HG12 ILE 42 2HG1 ILE 42 -5.877 -6.174 -2.292 347 HG13 ILE 42 3HG1 ILE 42 -7.022 -7.016 -3.344 348 HG21 ILE 42 1HG2 ILE 42 -6.109 -7.759 0.228 349 HG22 ILE 42 2HG2 ILE 42 -5.024 -9.125 -0.196 350 HG23 ILE 42 3HG2 ILE 42 -4.552 -7.442 -0.608 351 HD11 ILE 42 3HD1 ILE 42 -7.474 -6.331 -0.406 352 HD12 ILE 42 1HD1 ILE 42 -8.184 -5.484 -1.821 353 HD13 ILE 42 2HD1 ILE 42 -8.637 -7.187 -1.474 354 H LYS 43 H LYS 43 -5.762 -11.342 -2.855 355 HA LYS 43 HA LYS 43 -3.992 -12.150 -0.812 356 HB2 LYS 43 2HB LYS 43 -5.548 -13.671 -2.953 357 HB3 LYS 43 3HB LYS 43 -4.619 -14.466 -1.675 358 HG2 LYS 43 2HG LYS 43 -6.035 -13.362 0.052 359 HG3 LYS 43 3HG LYS 43 -6.955 -12.542 -1.217 360 HD2 LYS 43 2HD LYS 43 -7.658 -14.747 -2.149 361 HD3 LYS 43 3HD LYS 43 -6.713 -15.583 -0.909 362 HE2 LYS 43 2HE LYS 43 -8.099 -14.523 0.876 363 HE3 LYS 43 3HE LYS 43 -9.034 -13.661 -0.353 364 HZ1 LYS 43 3HZ LYS 43 -8.872 -16.596 -0.088 365 HZ2 LYS 43 1HZ LYS 43 -10.138 -15.664 0.354 366 HZ3 LYS 43 2HZ LYS 43 -9.735 -15.800 -1.222 367 H ARG 44 H ARG 44 -3.527 -11.593 -4.266 368 HA ARG 44 HA ARG 44 -1.118 -13.260 -4.219 369 HB2 ARG 44 2HB ARG 44 -2.524 -11.912 -6.540 370 HB3 ARG 44 3HB ARG 44 -1.065 -12.906 -6.645 371 HG2 ARG 44 2HG ARG 44 -3.761 -13.888 -5.611 372 HG3 ARG 44 3HG ARG 44 -3.188 -14.086 -7.273 373 HD2 ARG 44 2HD ARG 44 -1.287 -15.400 -6.476 374 HD3 ARG 44 3HD ARG 44 -1.821 -15.178 -4.805 375 HE ARG 44 HE ARG 44 -3.940 -16.344 -6.292 376 HH11 ARG 44 1HH1 ARG 44 -0.734 -17.176 -5.120 377 HH12 ARG 44 2HH1 ARG 44 -1.105 -18.860 -4.960 378 HH21 ARG 44 1HH2 ARG 44 -4.397 -18.505 -6.094 379 HH22 ARG 44 2HH2 ARG 44 -3.208 -19.625 -5.520 380 H MET 45 H MET 45 -2.265 -9.854 -4.520 381 HA MET 45 HA MET 45 0.239 -8.830 -5.377 382 HB2 MET 45 2HB MET 45 -1.978 -7.721 -5.690 383 HB3 MET 45 3HB MET 45 -2.101 -7.489 -3.941 384 HG2 MET 45 2HG MET 45 -0.031 -6.081 -4.001 385 HG3 MET 45 3HG MET 45 0.040 -6.284 -5.757 386 HE1 MET 45 3HE MET 45 -2.260 -3.691 -3.062 387 HE2 MET 45 1HE MET 45 -3.532 -4.882 -3.497 388 HE3 MET 45 2HE MET 45 -1.975 -5.445 -2.802 389 H GLN 46 H GLN 46 2.029 -8.120 -4.231 390 HA GLN 46 HA GLN 46 1.880 -8.490 -1.315 391 HB2 GLN 46 2HB GLN 46 4.339 -8.278 -3.121 392 HB3 GLN 46 3HB GLN 46 4.309 -8.730 -1.411 393 HG2 GLN 46 2HG GLN 46 3.049 -10.337 -3.683 394 HG3 GLN 46 3HG GLN 46 4.615 -10.677 -2.934 395 HE21 GLN 46 1HE2 GLN 46 1.513 -11.682 -2.993 396 HE22 GLN 46 2HE2 GLN 46 1.340 -12.309 -1.388 397 H LEU 47 H LEU 47 2.480 -6.804 0.105 398 HA LEU 47 HA LEU 47 2.839 -4.191 -1.232 399 HB2 LEU 47 2HB LEU 47 0.537 -4.388 -0.477 400 HB3 LEU 47 3HB LEU 47 1.044 -5.008 1.100 401 HG LEU 47 HG LEU 47 2.114 -2.787 1.607 402 HD11 LEU 47 1HD1 LEU 47 1.584 -0.866 0.154 403 HD12 LEU 47 2HD1 LEU 47 2.569 -2.094 -0.710 404 HD13 LEU 47 3HD1 LEU 47 0.806 -1.971 -1.028 405 HD21 LEU 47 3HD2 LEU 47 -0.185 -3.320 2.338 406 HD22 LEU 47 1HD2 LEU 47 -0.025 -1.581 1.922 407 HD23 LEU 47 2HD2 LEU 47 -0.829 -2.707 0.778 408 H TYR 48 H TYR 48 4.745 -3.242 -0.669 409 HA TYR 48 HA TYR 48 5.723 -3.768 2.066 410 HB2 TYR 48 2HB TYR 48 7.151 -4.955 0.504 411 HB3 TYR 48 3HB TYR 48 7.241 -3.557 -0.575 412 HD1 TYR 48 HD1 TYR 48 8.193 -4.746 2.849 413 HD2 TYR 48 HD2 TYR 48 8.932 -1.921 -0.295 414 HE1 TYR 48 HE1 TYR 48 10.226 -3.971 4.030 415 HE2 TYR 48 HE2 TYR 48 10.967 -1.141 0.878 416 HH TYR 48 HH TYR 48 11.800 -2.355 4.133 417 H TYR 49 H TYR 49 6.482 -1.974 3.239 418 HA TYR 49 HA TYR 49 6.288 0.609 1.821 419 HB2 TYR 49 2HB TYR 49 4.601 0.594 3.491 420 HB3 TYR 49 3HB TYR 49 5.623 -0.258 4.656 421 HD1 TYR 49 HD1 TYR 49 5.729 2.956 2.668 422 HD2 TYR 49 HD2 TYR 49 6.439 1.002 6.425 423 HE1 TYR 49 HE1 TYR 49 6.396 5.121 3.664 424 HE2 TYR 49 HE2 TYR 49 7.108 3.165 7.425 425 HH TYR 49 HH TYR 49 6.473 5.752 6.823 426 H SER 50 H SER 50 8.084 1.955 1.825 427 HA SER 50 HA SER 50 10.601 1.363 2.160 428 HB2 SER 50 2HB SER 50 9.755 3.625 1.669 429 HB3 SER 50 3HB SER 50 9.255 3.827 3.353 430 HG SER 50 HG SER 50 11.305 4.807 2.914 431 H GLY 51 H GLY 51 11.424 -0.155 3.605 432 HA2 GLY 51 2HA GLY 51 12.591 -0.362 5.620 433 HA3 GLY 51 3HA GLY 51 11.455 0.743 6.403 434 H ILE 52 H ILE 52 9.125 -0.081 6.706 435 HA ILE 52 HA ILE 52 9.361 -2.875 7.530 436 HB ILE 52 HB ILE 52 7.376 -0.680 8.318 437 HG12 ILE 52 2HG1 ILE 52 9.592 -2.000 9.953 438 HG13 ILE 52 3HG1 ILE 52 9.781 -0.456 9.112 439 HG21 ILE 52 1HG2 ILE 52 6.624 -2.273 10.052 440 HG22 ILE 52 2HG2 ILE 52 6.340 -2.905 8.395 441 HG23 ILE 52 3HG2 ILE 52 7.715 -3.526 9.370 442 HD11 ILE 52 3HD1 ILE 52 7.746 -1.053 11.305 443 HD12 ILE 52 1HD1 ILE 52 9.265 -0.112 11.485 444 HD13 ILE 52 2HD1 ILE 52 7.938 0.515 10.451 445 H GLU 53 H GLU 53 8.075 -4.498 6.637 446 HA GLU 53 HA GLU 53 6.524 -3.851 4.323 447 HB2 GLU 53 2HB GLU 53 7.864 -5.939 4.585 448 HB3 GLU 53 3HB GLU 53 6.821 -6.440 5.922 449 HG2 GLU 53 2HG GLU 53 4.868 -6.521 4.382 450 HG3 GLU 53 3HG GLU 53 5.893 -5.992 3.042 451 H LEU 54 H LEU 54 4.277 -3.764 4.064 452 HA LEU 54 HA LEU 54 2.825 -3.317 6.540 453 HB2 LEU 54 2HB LEU 54 1.953 -3.088 3.619 454 HB3 LEU 54 3HB LEU 54 1.068 -2.487 5.027 455 HG LEU 54 HG LEU 54 3.781 -1.467 4.035 456 HD11 LEU 54 1HD1 LEU 54 2.514 0.592 3.540 457 HD12 LEU 54 2HD1 LEU 54 1.874 -0.811 2.621 458 HD13 LEU 54 3HD1 LEU 54 0.997 -0.211 4.068 459 HD21 LEU 54 3HD2 LEU 54 3.609 -1.405 6.496 460 HD22 LEU 54 1HD2 LEU 54 3.518 0.247 5.798 461 HD23 LEU 54 2HD2 LEU 54 2.024 -0.570 6.370 462 H ALA 55 H ALA 55 3.122 -5.785 7.067 463 HA ALA 55 HA ALA 55 1.576 -7.516 5.302 464 HB1 ALA 55 3HB ALA 55 3.338 -8.072 7.740 465 HB2 ALA 55 1HB ALA 55 2.578 -9.316 6.691 466 HB3 ALA 55 2HB ALA 55 3.828 -8.215 6.018 467 H ASP 56 H ASP 56 1.266 -5.856 8.422 468 HA ASP 56 HA ASP 56 -0.684 -7.819 9.354 469 HB2 ASP 56 2HB ASP 56 1.109 -6.982 10.872 470 HB3 ASP 56 3HB ASP 56 0.514 -5.329 10.663 471 H ASP 57 H ASP 57 -2.833 -7.556 8.911 472 HA ASP 57 HA ASP 57 -3.730 -5.219 7.577 473 HB2 ASP 57 2HB ASP 57 -5.085 -7.684 8.746 474 HB3 ASP 57 3HB ASP 57 -6.013 -6.374 8.004 475 H TYR 58 H TYR 58 -3.643 -6.234 11.005 476 HA TYR 58 HA TYR 58 -5.755 -4.338 11.676 477 HB2 TYR 58 2HB TYR 58 -4.174 -6.384 13.307 478 HB3 TYR 58 3HB TYR 58 -5.420 -5.325 13.980 479 HD1 TYR 58 HD1 TYR 58 -7.809 -5.570 13.216 480 HD2 TYR 58 HD2 TYR 58 -4.756 -8.359 12.063 481 HE1 TYR 58 HE1 TYR 58 -9.551 -7.214 12.592 482 HE2 TYR 58 HE2 TYR 58 -6.494 -10.006 11.431 483 HH TYR 58 HH TYR 58 -9.992 -9.225 11.799 484 H ARG 59 H ARG 59 -2.301 -4.367 11.361 485 HA ARG 59 HA ARG 59 -1.961 -2.243 13.303 486 HB2 ARG 59 2HB ARG 59 -0.182 -3.881 12.961 487 HB3 ARG 59 3HB ARG 59 -0.048 -3.404 11.263 488 HG2 ARG 59 2HG ARG 59 0.691 -1.166 11.887 489 HG3 ARG 59 3HG ARG 59 0.395 -1.498 13.599 490 HD2 ARG 59 2HD ARG 59 2.149 -3.147 13.645 491 HD3 ARG 59 3HD ARG 59 2.377 -3.018 11.896 492 HE ARG 59 HE ARG 59 2.761 -0.469 13.143 493 HH11 ARG 59 1HH1 ARG 59 4.328 -3.591 12.760 494 HH12 ARG 59 2HH1 ARG 59 5.925 -2.934 12.894 495 HH21 ARG 59 1HH2 ARG 59 4.811 0.357 13.325 496 HH22 ARG 59 2HH2 ARG 59 6.204 -0.666 13.220 497 H ASN 60 H ASN 60 -2.066 -0.038 12.871 498 HA ASN 60 HA ASN 60 -3.386 0.460 10.331 499 HB2 ASN 60 2HB ASN 60 -4.204 2.469 11.357 500 HB3 ASN 60 3HB ASN 60 -4.449 1.114 12.467 501 HD21 ASN 60 1HD2 ASN 60 -4.259 1.822 14.442 502 HD22 ASN 60 2HD2 ASN 60 -2.956 2.776 15.068 503 H LEU 61 H LEU 61 -2.976 2.780 9.349 504 HA LEU 61 HA LEU 61 -0.412 2.611 8.272 505 HB2 LEU 61 2HB LEU 61 -2.462 4.877 8.335 506 HB3 LEU 61 3HB LEU 61 -0.993 4.910 7.351 507 HG LEU 61 HG LEU 61 -3.156 2.756 7.104 508 HD11 LEU 61 1HD1 LEU 61 -3.844 3.964 5.065 509 HD12 LEU 61 2HD1 LEU 61 -4.053 4.978 6.532 510 HD13 LEU 61 3HD1 LEU 61 -2.662 5.264 5.433 511 HD21 LEU 61 3HD2 LEU 61 -0.898 2.079 6.369 512 HD22 LEU 61 1HD2 LEU 61 -2.003 2.281 4.968 513 HD23 LEU 61 2HD2 LEU 61 -0.787 3.548 5.342 514 H ASN 62 H ASN 62 -1.690 4.608 11.006 515 HA ASN 62 HA ASN 62 0.533 6.330 11.125 516 HB2 ASN 62 2HB ASN 62 -1.687 6.767 12.151 517 HB3 ASN 62 3HB ASN 62 -1.390 5.478 13.325 518 HD21 ASN 62 1HD2 ASN 62 -0.653 6.089 15.194 519 HD22 ASN 62 2HD2 ASN 62 0.329 7.477 15.522 520 H GLU 63 H GLU 63 -0.165 3.101 12.613 521 HA GLU 63 HA GLU 63 2.010 3.188 14.421 522 HB2 GLU 63 2HB GLU 63 0.328 0.961 13.198 523 HB3 GLU 63 3HB GLU 63 1.648 0.628 14.327 524 HG2 GLU 63 2HG GLU 63 0.539 1.953 16.083 525 HG3 GLU 63 3HG GLU 63 -0.737 2.435 14.958 526 H TYR 64 H TYR 64 1.715 2.326 10.951 527 HA TYR 64 HA TYR 64 4.246 0.950 10.923 528 HB2 TYR 64 2HB TYR 64 2.083 1.717 8.964 529 HB3 TYR 64 3HB TYR 64 3.701 1.425 8.314 530 HD1 TYR 64 HD1 TYR 64 4.864 -0.822 9.300 531 HD2 TYR 64 HD2 TYR 64 0.635 -0.104 9.088 532 HE1 TYR 64 HE1 TYR 64 4.449 -3.260 9.350 533 HE2 TYR 64 HE2 TYR 64 0.216 -2.542 9.143 534 HH TYR 64 HH TYR 64 2.589 -4.800 10.039 535 H GLY 65 H GLY 65 3.218 4.297 10.851 536 HA2 GLY 65 2HA GLY 65 4.654 6.096 10.820 537 HA3 GLY 65 3HA GLY 65 5.934 5.085 10.135 538 H ILE 66 H ILE 66 2.580 5.189 8.796 539 HA ILE 66 HA ILE 66 3.714 5.895 6.253 540 HB ILE 66 HB ILE 66 0.809 5.446 7.118 541 HG12 ILE 66 2HG1 ILE 66 2.209 3.460 7.485 542 HG13 ILE 66 3HG1 ILE 66 1.069 3.205 6.157 543 HG21 ILE 66 1HG2 ILE 66 0.386 5.119 4.703 544 HG22 ILE 66 2HG2 ILE 66 0.986 6.774 5.059 545 HG23 ILE 66 3HG2 ILE 66 2.093 5.550 4.349 546 HD11 ILE 66 3HD1 ILE 66 4.025 3.898 5.859 547 HD12 ILE 66 1HD1 ILE 66 3.276 2.283 5.616 548 HD13 ILE 66 2HD1 ILE 66 2.868 3.639 4.511 549 H THR 67 H THR 67 4.047 8.004 5.618 550 HA THR 67 HA THR 67 2.487 10.034 7.050 551 HB THR 67 HB THR 67 4.338 11.562 6.621 552 HG1 THR 67 HG1 THR 67 6.248 10.753 5.489 553 HG21 THR 67 3HG2 THR 67 5.372 8.841 7.564 554 HG22 THR 67 1HG2 THR 67 6.160 10.427 7.863 555 HG23 THR 67 2HG2 THR 67 4.552 10.074 8.581 556 H GLU 68 H GLU 68 2.671 12.267 5.526 557 HA GLU 68 HA GLU 68 1.001 11.784 3.314 558 HB2 GLU 68 2HB GLU 68 2.697 14.164 4.189 559 HB3 GLU 68 3HB GLU 68 1.636 14.209 2.775 560 HG2 GLU 68 2HG GLU 68 -0.335 13.767 4.194 561 HG3 GLU 68 3HG GLU 68 0.697 13.598 5.620 562 H PHE 69 H PHE 69 4.470 11.466 3.698 563 HA PHE 69 HA PHE 69 4.808 11.680 0.775 564 HB2 PHE 69 2HB PHE 69 6.862 11.834 3.035 565 HB3 PHE 69 3HB PHE 69 7.222 11.951 1.307 566 HD1 PHE 69 HD1 PHE 69 6.260 13.897 -0.019 567 HD2 PHE 69 HD2 PHE 69 6.141 13.725 4.272 568 HE1 PHE 69 HE1 PHE 69 5.887 16.342 0.069 569 HE2 PHE 69 HE2 PHE 69 5.762 16.170 4.358 570 HZ PHE 69 HZ PHE 69 5.632 17.482 2.259 571 H SER 70 H SER 70 3.736 9.325 2.516 572 HA SER 70 HA SER 70 5.710 7.426 2.927 573 HB2 SER 70 2HB SER 70 3.440 7.241 3.803 574 HB3 SER 70 3HB SER 70 2.768 7.159 2.169 575 HG SER 70 HG SER 70 4.584 5.254 3.356 576 H GLU 71 H GLU 71 6.882 6.039 1.635 577 HA GLU 71 HA GLU 71 6.000 5.828 -1.176 578 HB2 GLU 71 2HB GLU 71 8.801 5.700 0.039 579 HB3 GLU 71 3HB GLU 71 8.421 5.312 -1.644 580 HG2 GLU 71 2HG GLU 71 7.624 7.633 -2.018 581 HG3 GLU 71 3HG GLU 71 7.940 8.030 -0.324 582 H ILE 72 H ILE 72 5.127 3.846 -1.622 583 HA ILE 72 HA ILE 72 6.193 1.585 -0.071 584 HB ILE 72 HB ILE 72 3.948 0.534 -0.336 585 HG12 ILE 72 2HG1 ILE 72 3.053 3.255 -1.394 586 HG13 ILE 72 3HG1 ILE 72 3.380 1.859 -2.431 587 HG21 ILE 72 1HG2 ILE 72 2.742 1.970 1.276 588 HG22 ILE 72 2HG2 ILE 72 4.476 1.788 1.710 589 HG23 ILE 72 3HG2 ILE 72 3.897 3.305 0.944 590 HD11 ILE 72 3HD1 ILE 72 1.288 1.981 -0.212 591 HD12 ILE 72 1HD1 ILE 72 0.978 2.082 -1.978 592 HD13 ILE 72 2HD1 ILE 72 1.619 0.564 -1.265 593 H VAL 73 H VAL 73 6.630 -0.372 -1.221 594 HA VAL 73 HA VAL 73 6.427 -0.103 -4.136 595 HB VAL 73 HB VAL 73 8.216 -1.893 -2.411 596 HG11 VAL 73 1HG1 VAL 73 9.313 -2.490 -4.549 597 HG12 VAL 73 2HG1 VAL 73 7.589 -2.990 -4.520 598 HG13 VAL 73 3HG1 VAL 73 8.085 -1.531 -5.442 599 HG21 VAL 73 3HG2 VAL 73 8.879 0.472 -2.353 600 HG22 VAL 73 1HG2 VAL 73 10.056 -0.499 -3.301 601 HG23 VAL 73 2HG2 VAL 73 8.856 0.536 -4.147 602 H VAL 74 H VAL 74 5.163 -1.561 -5.305 603 HA VAL 74 HA VAL 74 3.883 -3.649 -3.676 604 HB VAL 74 HB VAL 74 2.663 -1.944 -5.908 605 HG11 VAL 74 1HG1 VAL 74 0.546 -3.080 -5.308 606 HG12 VAL 74 2HG1 VAL 74 1.783 -4.239 -5.900 607 HG13 VAL 74 3HG1 VAL 74 1.438 -4.114 -4.142 608 HG21 VAL 74 3HG2 VAL 74 2.960 -0.685 -3.818 609 HG22 VAL 74 1HG2 VAL 74 1.223 -1.035 -4.111 610 HG23 VAL 74 2HG2 VAL 74 2.140 -1.992 -2.899 611 H PHE 75 H PHE 75 3.899 -5.730 -4.533 612 HA PHE 75 HA PHE 75 5.031 -5.966 -7.247 613 HB2 PHE 75 2HB PHE 75 5.143 -7.871 -4.857 614 HB3 PHE 75 3HB PHE 75 5.812 -8.204 -6.459 615 HD1 PHE 75 HD1 PHE 75 7.785 -6.955 -7.287 616 HD2 PHE 75 HD2 PHE 75 6.257 -6.374 -3.314 617 HE1 PHE 75 HE1 PHE 75 9.910 -5.869 -6.627 618 HE2 PHE 75 HE2 PHE 75 8.381 -5.283 -2.657 619 HZ PHE 75 HZ PHE 75 10.210 -5.030 -4.313 620 H LEU 76 H LEU 76 3.974 -7.238 -8.788 621 HA LEU 76 HA LEU 76 1.252 -8.015 -7.984 622 HB2 LEU 76 2HB LEU 76 2.491 -7.420 -10.717 623 HB3 LEU 76 3HB LEU 76 0.807 -7.887 -10.442 624 HG LEU 76 HG LEU 76 2.124 -5.340 -9.358 625 HD11 LEU 76 1HD1 LEU 76 0.715 -4.193 -11.026 626 HD12 LEU 76 2HD1 LEU 76 1.878 -5.318 -11.807 627 HD13 LEU 76 3HD1 LEU 76 0.150 -5.782 -11.644 628 HD21 LEU 76 3HD2 LEU 76 0.322 -6.215 -7.914 629 HD22 LEU 76 1HD2 LEU 76 -0.196 -4.719 -8.763 630 HD23 LEU 76 2HD2 LEU 76 -0.772 -6.321 -9.335 631 H LYS 77 H LYS 77 0.584 -10.137 -8.059 632 HA LYS 77 HA LYS 77 2.425 -12.029 -9.381 633 HB2 LYS 77 2HB LYS 77 0.771 -12.357 -6.833 634 HB3 LYS 77 3HB LYS 77 1.616 -13.676 -7.654 635 HG2 LYS 77 2HG LYS 77 2.932 -11.198 -6.432 636 HG3 LYS 77 3HG LYS 77 2.903 -12.817 -5.719 637 HD2 LYS 77 2HD LYS 77 4.100 -13.695 -7.769 638 HD3 LYS 77 3HD LYS 77 4.203 -12.039 -8.382 639 HE2 LYS 77 2HE LYS 77 5.449 -11.371 -6.296 640 HE3 LYS 77 3HE LYS 77 5.390 -13.050 -5.745 641 HZ1 LYS 77 3HZ LYS 77 6.691 -12.119 -8.223 642 HZ2 LYS 77 1HZ LYS 77 7.455 -12.554 -6.847 643 HZ3 LYS 77 2HZ LYS 77 6.637 -13.670 -7.714 644 H SER 78 H SER 78 0.914 -11.432 -11.305 645 HA SER 78 HA SER 78 -0.849 -13.707 -11.479 646 HB2 SER 78 2HB SER 78 -2.795 -12.442 -12.228 647 HB3 SER 78 3HB SER 78 -2.370 -11.980 -10.575 648 HG SER 78 HG SER 78 -1.083 -10.440 -12.502 649 H ILE 79 H ILE 79 -1.370 -14.242 -13.731 650 HA ILE 79 HA ILE 79 0.576 -12.986 -15.529 651 HB ILE 79 HB ILE 79 -0.770 -15.734 -15.588 652 HG12 ILE 79 2HG1 ILE 79 2.161 -14.947 -15.233 653 HG13 ILE 79 3HG1 ILE 79 1.071 -15.358 -13.903 654 HG21 ILE 79 1HG2 ILE 79 0.674 -16.191 -17.542 655 HG22 ILE 79 2HG2 ILE 79 -0.486 -14.858 -17.865 656 HG23 ILE 79 3HG2 ILE 79 1.237 -14.486 -17.521 657 HD11 ILE 79 3HD1 ILE 79 1.848 -17.204 -16.205 658 HD12 ILE 79 1HD1 ILE 79 2.471 -17.275 -14.522 659 HD13 ILE 79 2HD1 ILE 79 0.741 -17.621 -14.854 660 H ASN 80 H ASN 80 -2.744 -14.555 -15.629 661 HA ASN 80 HA ASN 80 -3.473 -13.372 -18.056 662 HB2 ASN 80 2HB ASN 80 -5.074 -14.444 -15.712 663 HB3 ASN 80 3HB ASN 80 -5.834 -13.816 -17.180 664 HD21 ASN 80 1HD2 ASN 80 -6.257 -16.369 -16.368 665 HD22 ASN 80 2HD2 ASN 80 -5.568 -17.453 -17.531 666 H ARG 81 H ARG 81 -5.200 -11.666 -18.385 667 HA ARG 81 HA ARG 81 -4.707 -9.505 -16.444 668 HB2 ARG 81 2HB ARG 81 -5.059 -9.316 -19.446 669 HB3 ARG 81 3HB ARG 81 -4.943 -7.946 -18.334 670 HG2 ARG 81 2HG ARG 81 -2.667 -8.535 -17.729 671 HG3 ARG 81 3HG ARG 81 -2.768 -10.060 -18.619 672 HD2 ARG 81 2HD ARG 81 -3.042 -8.796 -20.720 673 HD3 ARG 81 3HD ARG 81 -2.890 -7.284 -19.815 674 HE ARG 81 HE ARG 81 -0.601 -8.703 -19.186 675 HH11 ARG 81 1HH1 ARG 81 -2.098 -7.659 -22.188 676 HH12 ARG 81 2HH1 ARG 81 -0.585 -7.465 -23.009 677 HH21 ARG 81 1HH2 ARG 81 1.329 -8.462 -20.255 678 HH22 ARG 81 2HH2 ARG 81 1.382 -7.926 -21.901 679 H ALA 82 H ALA 82 -6.466 -7.779 -16.406 680 HA ALA 82 HA ALA 82 -9.078 -8.683 -17.274 681 HB1 ALA 82 3HB ALA 82 -8.362 -8.360 -14.319 682 HB2 ALA 82 1HB ALA 82 -10.019 -8.572 -14.979 683 HB3 ALA 82 2HB ALA 82 -8.810 -9.891 -15.145 684 H LYS 83 H LYS 83 -10.657 -6.974 -17.269 685 HA LYS 83 HA LYS 83 -9.584 -4.394 -17.591 686 HB2 LYS 83 2HB LYS 83 -11.638 -5.224 -18.700 687 HB3 LYS 83 3HB LYS 83 -12.451 -5.352 -17.134 688 HG2 LYS 83 2HG LYS 83 -12.281 -2.891 -16.827 689 HG3 LYS 83 3HG LYS 83 -11.425 -2.746 -18.368 690 HD2 LYS 83 2HD LYS 83 -13.404 -3.702 -19.562 691 HD3 LYS 83 3HD LYS 83 -14.260 -3.860 -18.022 692 HE2 LYS 83 2HE LYS 83 -14.081 -1.383 -17.677 693 HE3 LYS 83 3HE LYS 83 -13.246 -1.232 -19.229 694 HZ1 LYS 83 3HZ LYS 83 -15.991 -2.254 -18.865 695 HZ2 LYS 83 1HZ LYS 83 -15.588 -0.779 -19.436 696 HZ3 LYS 83 2HZ LYS 83 -15.221 -2.116 -20.298 697 H ASP 84 H ASP 84 -11.975 -5.520 -15.043 698 HA ASP 84 HA ASP 84 -11.433 -3.293 -13.380 699 HB2 ASP 84 2HB ASP 84 -12.747 -6.010 -12.951 700 HB3 ASP 84 3HB ASP 84 -12.589 -4.822 -11.651 Start of MODEL 13 1 H ALA 1 1H ALA 1 -10.369 21.872 2.980 2 HA ALA 1 HA ALA 1 -8.388 21.498 4.215 3 HB1 ALA 1 3HB ALA 1 -10.975 20.675 5.622 4 HB2 ALA 1 1HB ALA 1 -9.473 21.234 6.432 5 HB3 ALA 1 2HB ALA 1 -10.388 22.353 5.368 6 H ALA 2 H ALA 2 -6.788 19.992 4.378 7 HA ALA 2 HA ALA 2 -7.508 17.181 4.337 8 HB1 ALA 2 3HB ALA 2 -4.821 18.638 4.424 9 HB2 ALA 2 1HB ALA 2 -5.049 16.870 4.209 10 HB3 ALA 2 2HB ALA 2 -5.645 18.011 2.957 11 H VAL 3 H VAL 3 -8.111 16.200 6.226 12 HA VAL 3 HA VAL 3 -6.529 16.904 8.600 13 HB VAL 3 HB VAL 3 -9.534 16.335 8.459 14 HG11 VAL 3 1HG1 VAL 3 -9.512 16.794 10.893 15 HG12 VAL 3 2HG1 VAL 3 -8.508 15.365 10.473 16 HG13 VAL 3 3HG1 VAL 3 -7.723 16.937 10.845 17 HG21 VAL 3 3HG2 VAL 3 -8.951 18.597 7.696 18 HG22 VAL 3 1HG2 VAL 3 -9.768 18.653 9.294 19 HG23 VAL 3 2HG2 VAL 3 -7.988 18.866 9.188 20 H ARG 4 H ARG 4 -5.284 15.101 9.039 21 HA ARG 4 HA ARG 4 -4.695 13.007 9.379 22 HB2 ARG 4 2HB ARG 4 -7.652 12.370 9.541 23 HB3 ARG 4 3HB ARG 4 -6.319 11.324 10.048 24 HG2 ARG 4 2HG ARG 4 -5.672 12.896 11.798 25 HG3 ARG 4 3HG ARG 4 -6.858 14.080 11.232 26 HD2 ARG 4 2HD ARG 4 -8.643 12.360 11.716 27 HD3 ARG 4 3HD ARG 4 -7.387 11.388 12.495 28 HE ARG 4 HE ARG 4 -7.292 13.953 13.649 29 HH11 ARG 4 1HH1 ARG 4 -9.576 11.292 13.426 30 HH12 ARG 4 2HH1 ARG 4 -10.292 11.626 14.968 31 HH21 ARG 4 1HH2 ARG 4 -8.225 14.376 15.615 32 HH22 ARG 4 2HH2 ARG 4 -9.517 13.397 16.225 33 H LYS 5 H LYS 5 -5.522 14.127 6.574 34 HA LYS 5 HA LYS 5 -5.867 11.523 5.243 35 HB2 LYS 5 2HB LYS 5 -6.164 14.369 4.172 36 HB3 LYS 5 3HB LYS 5 -6.458 12.882 3.262 37 HG2 LYS 5 2HG LYS 5 -8.021 13.771 5.738 38 HG3 LYS 5 3HG LYS 5 -8.560 13.961 4.064 39 HD2 LYS 5 2HD LYS 5 -8.404 11.454 3.771 40 HD3 LYS 5 3HD LYS 5 -7.972 11.308 5.479 41 HE2 LYS 5 2HE LYS 5 -10.152 12.540 6.036 42 HE3 LYS 5 3HE LYS 5 -10.586 12.408 4.327 43 HZ1 LYS 5 3HZ LYS 5 -10.031 10.140 6.130 44 HZ2 LYS 5 1HZ LYS 5 -11.502 10.607 5.597 45 HZ3 LYS 5 2HZ LYS 5 -10.406 10.007 4.547 46 H ILE 6 H ILE 6 -4.340 10.781 3.712 47 HA ILE 6 HA ILE 6 -2.043 12.527 3.252 48 HB ILE 6 HB ILE 6 -0.520 10.551 3.584 49 HG12 ILE 6 2HG1 ILE 6 -2.977 9.284 4.884 50 HG13 ILE 6 3HG1 ILE 6 -2.323 8.822 3.307 51 HG21 ILE 6 1HG2 ILE 6 -0.530 10.640 6.055 52 HG22 ILE 6 2HG2 ILE 6 -0.761 12.265 5.326 53 HG23 ILE 6 3HG2 ILE 6 -2.164 11.383 6.018 54 HD11 ILE 6 3HD1 ILE 6 -0.850 8.633 5.973 55 HD12 ILE 6 1HD1 ILE 6 -1.584 7.272 5.060 56 HD13 ILE 6 2HD1 ILE 6 -0.185 8.163 4.372 57 H HIS 7 H HIS 7 -0.850 11.999 1.256 58 HA HIS 7 HA HIS 7 -2.237 10.020 -0.433 59 HB2 HIS 7 2HB HIS 7 -0.486 12.416 -1.183 60 HB3 HIS 7 3HB HIS 7 -1.140 11.242 -2.333 61 HD2 HIS 7 HD2 HIS 7 -2.338 14.320 -0.219 62 HE1 HIS 7 HE1 HIS 7 -5.598 13.003 -2.660 63 H VAL 8 H VAL 8 -1.133 8.161 -0.962 64 HA VAL 8 HA VAL 8 1.663 8.095 -0.076 65 HB VAL 8 HB VAL 8 -0.390 5.847 -0.396 66 HG11 VAL 8 1HG1 VAL 8 1.327 4.420 0.679 67 HG12 VAL 8 2HG1 VAL 8 1.894 5.078 -0.893 68 HG13 VAL 8 3HG1 VAL 8 2.483 5.794 0.645 69 HG21 VAL 8 3HG2 VAL 8 -0.852 7.306 1.526 70 HG22 VAL 8 1HG2 VAL 8 -0.254 5.702 2.070 71 HG23 VAL 8 2HG2 VAL 8 0.844 7.123 2.089 72 H THR 9 H THR 9 3.296 7.311 -1.479 73 HA THR 9 HA THR 9 2.512 7.344 -4.263 74 HB THR 9 HB THR 9 5.246 7.196 -2.888 75 HG1 THR 9 HG1 THR 9 5.343 9.431 -3.648 76 HG21 THR 9 3HG2 THR 9 4.514 7.618 -5.828 77 HG22 THR 9 1HG2 THR 9 6.164 7.733 -5.128 78 HG23 THR 9 2HG2 THR 9 5.296 6.160 -5.129 79 H VAL 10 H VAL 10 2.035 5.466 -5.362 80 HA VAL 10 HA VAL 10 2.984 2.968 -4.195 81 HB VAL 10 HB VAL 10 0.948 3.529 -6.412 82 HG11 VAL 10 1HG1 VAL 10 0.330 1.146 -6.139 83 HG12 VAL 10 2HG1 VAL 10 2.032 1.337 -6.680 84 HG13 VAL 10 3HG1 VAL 10 1.675 0.937 -4.966 85 HG21 VAL 10 3HG2 VAL 10 0.194 4.315 -4.209 86 HG22 VAL 10 1HG2 VAL 10 -0.727 2.860 -4.718 87 HG23 VAL 10 2HG2 VAL 10 0.578 2.713 -3.492 88 H LYS 11 H LYS 11 4.839 2.050 -5.016 89 HA LYS 11 HA LYS 11 5.642 2.890 -7.721 90 HB2 LYS 11 2HB LYS 11 7.242 1.775 -5.369 91 HB3 LYS 11 3HB LYS 11 7.914 2.141 -6.964 92 HG2 LYS 11 2HG LYS 11 7.268 4.545 -6.669 93 HG3 LYS 11 3HG LYS 11 6.635 4.168 -5.061 94 HD2 LYS 11 2HD LYS 11 8.911 3.341 -4.376 95 HD3 LYS 11 3HD LYS 11 9.534 3.766 -5.976 96 HE2 LYS 11 2HE LYS 11 8.818 6.160 -5.574 97 HE3 LYS 11 3HE LYS 11 8.311 5.705 -3.942 98 HZ1 LYS 11 3HZ LYS 11 11.034 5.724 -5.041 99 HZ2 LYS 11 1HZ LYS 11 10.461 6.507 -3.727 100 HZ3 LYS 11 2HZ LYS 11 10.677 4.889 -3.684 101 H PHE 12 H PHE 12 5.114 1.388 -9.290 102 HA PHE 12 HA PHE 12 5.609 -1.432 -8.621 103 HB2 PHE 12 2HB PHE 12 4.259 -0.052 -10.989 104 HB3 PHE 12 3HB PHE 12 4.590 -1.788 -10.922 105 HD1 PHE 12 HD1 PHE 12 3.436 -3.220 -9.237 106 HD2 PHE 12 HD2 PHE 12 2.450 0.930 -9.744 107 HE1 PHE 12 HE1 PHE 12 1.304 -3.580 -8.034 108 HE2 PHE 12 HE2 PHE 12 0.318 0.569 -8.535 109 HZ PHE 12 HZ PHE 12 -0.259 -1.685 -7.677 110 HA PRO 13 HA PRO 13 9.419 -1.816 -10.730 111 HB2 PRO 13 2HB PRO 13 8.044 -3.761 -12.652 112 HB3 PRO 13 3HB PRO 13 9.527 -4.005 -11.721 113 HG2 PRO 13 2HG PRO 13 7.282 -5.174 -10.902 114 HG3 PRO 13 3HG PRO 13 8.352 -4.436 -9.703 115 HD2 PRO 13 2HD PRO 13 5.731 -3.388 -10.819 116 HD3 PRO 13 3HD PRO 13 6.363 -3.275 -9.171 117 H SER 14 H SER 14 6.574 -1.286 -12.859 118 HA SER 14 HA SER 14 8.456 -0.017 -14.752 119 HB2 SER 14 2HB SER 14 7.002 -0.814 -16.555 120 HB3 SER 14 3HB SER 14 7.646 -2.170 -15.620 121 HG SER 14 HG SER 14 5.386 -2.393 -16.063 122 H LYS 15 H LYS 15 5.900 0.471 -12.542 123 HA LYS 15 HA LYS 15 4.983 2.837 -13.998 124 HB2 LYS 15 2HB LYS 15 3.217 0.553 -13.005 125 HB3 LYS 15 3HB LYS 15 2.604 2.167 -13.388 126 HG2 LYS 15 2HG LYS 15 3.476 1.897 -15.740 127 HG3 LYS 15 3HG LYS 15 3.975 0.249 -15.336 128 HD2 LYS 15 2HD LYS 15 1.611 -0.327 -14.756 129 HD3 LYS 15 3HD LYS 15 1.110 1.322 -15.152 130 HE2 LYS 15 2HE LYS 15 1.917 1.008 -17.496 131 HE3 LYS 15 3HE LYS 15 2.429 -0.638 -17.102 132 HZ1 LYS 15 3HZ LYS 15 -0.344 0.358 -16.968 133 HZ2 LYS 15 1HZ LYS 15 0.270 -0.607 -18.133 134 HZ3 LYS 15 2HZ LYS 15 0.128 -1.162 -16.604 135 H GLN 16 H GLN 16 3.777 4.368 -12.562 136 HA GLN 16 HA GLN 16 3.910 3.665 -9.714 137 HB2 GLN 16 2HB GLN 16 4.901 6.252 -11.008 138 HB3 GLN 16 3HB GLN 16 4.595 6.071 -9.276 139 HG2 GLN 16 2HG GLN 16 6.290 4.221 -9.199 140 HG3 GLN 16 3HG GLN 16 6.626 4.485 -10.915 141 HE21 GLN 16 1HE2 GLN 16 8.784 4.712 -9.475 142 HE22 GLN 16 2HE2 GLN 16 9.243 6.354 -9.166 143 H PHE 17 H PHE 17 2.198 4.565 -8.450 144 HA PHE 17 HA PHE 17 0.361 6.372 -9.845 145 HB2 PHE 17 2HB PHE 17 -0.458 3.780 -8.443 146 HB3 PHE 17 3HB PHE 17 -1.569 5.014 -9.053 147 HD1 PHE 17 HD1 PHE 17 -1.827 5.378 -11.497 148 HD2 PHE 17 HD2 PHE 17 0.630 2.219 -9.932 149 HE1 PHE 17 HE1 PHE 17 -1.844 4.268 -13.709 150 HE2 PHE 17 HE2 PHE 17 0.613 1.112 -12.146 151 HZ PHE 17 HZ PHE 17 -0.619 2.135 -14.038 152 H THR 18 H THR 18 -1.019 7.613 -8.364 153 HA THR 18 HA THR 18 0.020 7.575 -5.622 154 HB THR 18 HB THR 18 -1.528 9.724 -7.166 155 HG1 THR 18 HG1 THR 18 0.532 10.859 -6.945 156 HG21 THR 18 3HG2 THR 18 -0.342 9.755 -4.348 157 HG22 THR 18 1HG2 THR 18 -1.080 11.156 -5.195 158 HG23 THR 18 2HG2 THR 18 -2.089 9.735 -4.763 159 H VAL 19 H VAL 19 -1.366 7.166 -3.868 160 HA VAL 19 HA VAL 19 -4.216 6.934 -4.541 161 HB VAL 19 HB VAL 19 -4.360 5.119 -2.835 162 HG11 VAL 19 1HG1 VAL 19 -3.278 3.350 -4.189 163 HG12 VAL 19 2HG1 VAL 19 -4.132 4.552 -5.216 164 HG13 VAL 19 3HG1 VAL 19 -2.342 4.605 -5.071 165 HG21 VAL 19 3HG2 VAL 19 -2.403 5.731 -1.479 166 HG22 VAL 19 1HG2 VAL 19 -2.284 4.029 -2.039 167 HG23 VAL 19 2HG2 VAL 19 -1.311 5.308 -2.840 168 H GLU 20 H GLU 20 -5.715 7.491 -2.774 169 HA GLU 20 HA GLU 20 -4.417 9.209 -0.757 170 HB2 GLU 20 2HB GLU 20 -5.858 10.409 -2.367 171 HB3 GLU 20 3HB GLU 20 -7.203 9.317 -2.011 172 HG2 GLU 20 2HG GLU 20 -7.208 10.130 0.363 173 HG3 GLU 20 3HG GLU 20 -5.902 11.254 -0.035 174 H VAL 21 H VAL 21 -4.537 8.537 1.349 175 HA VAL 21 HA VAL 21 -6.779 6.802 2.066 176 HB VAL 21 HB VAL 21 -5.208 5.368 3.391 177 HG11 VAL 21 1HG1 VAL 21 -4.295 4.106 1.467 178 HG12 VAL 21 2HG1 VAL 21 -5.984 4.643 1.174 179 HG13 VAL 21 3HG1 VAL 21 -4.617 5.513 0.397 180 HG21 VAL 21 3HG2 VAL 21 -3.364 6.974 3.633 181 HG22 VAL 21 1HG2 VAL 21 -2.787 5.448 2.883 182 HG23 VAL 21 2HG2 VAL 21 -3.054 6.905 1.866 183 H ASP 22 H ASP 22 -6.804 6.512 4.607 184 HA ASP 22 HA ASP 22 -6.129 9.122 5.780 185 HB2 ASP 22 2HB ASP 22 -8.529 8.190 5.763 186 HB3 ASP 22 3HB ASP 22 -7.959 6.948 6.887 187 H ARG 23 H ARG 23 -4.934 9.266 7.747 188 HA ARG 23 HA ARG 23 -2.926 7.298 7.949 189 HB2 ARG 23 2HB ARG 23 -1.950 8.634 9.601 190 HB3 ARG 23 3HB ARG 23 -2.652 9.732 8.406 191 HG2 ARG 23 2HG ARG 23 -4.659 9.991 9.937 192 HG3 ARG 23 3HG ARG 23 -3.788 9.042 11.149 193 HD2 ARG 23 2HD ARG 23 -2.850 11.653 9.941 194 HD3 ARG 23 3HD ARG 23 -3.651 11.469 11.506 195 HE ARG 23 HE ARG 23 -1.439 9.801 11.633 196 HH11 ARG 23 1HH1 ARG 23 -1.936 13.223 11.003 197 HH12 ARG 23 2HH1 ARG 23 -0.426 13.690 11.712 198 HH21 ARG 23 1HH2 ARG 23 0.498 10.412 12.526 199 HH22 ARG 23 2HH2 ARG 23 0.973 12.077 12.586 200 H THR 24 H THR 24 -6.095 7.655 9.497 201 HA THR 24 HA THR 24 -5.290 5.958 11.707 202 HB THR 24 HB THR 24 -7.563 6.362 12.557 203 HG1 THR 24 HG1 THR 24 -7.941 7.875 10.095 204 HG21 THR 24 3HG2 THR 24 -6.270 8.907 11.461 205 HG22 THR 24 1HG2 THR 24 -7.458 8.825 12.805 206 HG23 THR 24 2HG2 THR 24 -5.838 8.073 12.992 207 H GLU 25 H GLU 25 -6.397 5.545 8.475 208 HA GLU 25 HA GLU 25 -8.047 3.242 8.984 209 HB2 GLU 25 2HB GLU 25 -6.835 4.562 6.525 210 HB3 GLU 25 3HB GLU 25 -7.644 2.993 6.421 211 HG2 GLU 25 2HG GLU 25 -8.992 5.466 7.596 212 HG3 GLU 25 3HG GLU 25 -9.055 5.065 5.874 213 H THR 26 H THR 26 -7.493 1.030 8.162 214 HA THR 26 HA THR 26 -4.863 0.390 9.128 215 HB THR 26 HB THR 26 -5.613 -1.954 8.885 216 HG1 THR 26 HG1 THR 26 -7.917 -2.222 8.168 217 HG21 THR 26 3HG2 THR 26 -7.763 -0.133 10.076 218 HG22 THR 26 1HG2 THR 26 -7.546 -1.879 10.435 219 HG23 THR 26 2HG2 THR 26 -6.275 -0.700 10.906 220 H VAL 27 H VAL 27 -3.553 -1.373 7.859 221 HA VAL 27 HA VAL 27 -2.749 -0.293 5.443 222 HB VAL 27 HB VAL 27 -2.408 -3.073 6.662 223 HG11 VAL 27 1HG1 VAL 27 -0.607 -3.435 5.002 224 HG12 VAL 27 2HG1 VAL 27 -2.214 -3.259 4.218 225 HG13 VAL 27 3HG1 VAL 27 -1.048 -1.892 4.195 226 HG21 VAL 27 3HG2 VAL 27 -1.356 -1.222 7.887 227 HG22 VAL 27 1HG2 VAL 27 -0.114 -2.263 7.113 228 HG23 VAL 27 2HG2 VAL 27 -0.536 -0.677 6.385 229 H SER 28 H SER 28 -5.250 -2.780 6.182 230 HA SER 28 HA SER 28 -5.414 -3.919 3.630 231 HB2 SER 28 2HB SER 28 -7.499 -4.813 4.393 232 HB3 SER 28 3HB SER 28 -6.404 -4.785 5.782 233 HG SER 28 HG SER 28 -7.412 -2.783 6.443 234 H SER 29 H SER 29 -6.735 -0.853 4.960 235 HA SER 29 HA SER 29 -8.555 -0.396 2.830 236 HB2 SER 29 2HB SER 29 -7.117 1.459 4.780 237 HB3 SER 29 3HB SER 29 -8.385 1.981 3.663 238 HG SER 29 HG SER 29 -9.156 1.463 5.815 239 H LEU 30 H LEU 30 -5.065 0.475 3.380 240 HA LEU 30 HA LEU 30 -4.783 1.938 0.985 241 HB2 LEU 30 2HB LEU 30 -3.237 1.668 3.097 242 HB3 LEU 30 3HB LEU 30 -2.617 0.234 2.268 243 HG LEU 30 HG LEU 30 -2.584 3.076 1.119 244 HD11 LEU 30 1HD1 LEU 30 -0.152 2.949 1.517 245 HD12 LEU 30 2HD1 LEU 30 -1.077 2.814 3.050 246 HD13 LEU 30 3HD1 LEU 30 -0.361 1.347 2.301 247 HD21 LEU 30 3HD2 LEU 30 -2.754 1.312 -0.599 248 HD22 LEU 30 1HD2 LEU 30 -1.125 2.069 -0.605 249 HD23 LEU 30 2HD2 LEU 30 -1.360 0.452 0.139 250 H LYS 31 H LYS 31 -4.489 -1.602 1.742 251 HA LYS 31 HA LYS 31 -3.526 -2.328 -0.807 252 HB2 LYS 31 2HB LYS 31 -5.086 -3.816 1.354 253 HB3 LYS 31 3HB LYS 31 -4.499 -4.594 -0.121 254 HG2 LYS 31 2HG LYS 31 -2.146 -3.867 0.514 255 HG3 LYS 31 3HG LYS 31 -2.796 -3.277 2.049 256 HD2 LYS 31 2HD LYS 31 -3.594 -5.532 2.639 257 HD3 LYS 31 3HD LYS 31 -3.124 -6.155 1.052 258 HE2 LYS 31 2HE LYS 31 -0.729 -5.546 1.557 259 HE3 LYS 31 3HE LYS 31 -1.227 -5.013 3.168 260 HZ1 LYS 31 3HZ LYS 31 -1.613 -7.748 2.136 261 HZ2 LYS 31 1HZ LYS 31 -0.393 -7.288 3.118 262 HZ3 LYS 31 2HZ LYS 31 -1.936 -7.234 3.651 263 H ASP 32 H ASP 32 -6.873 -1.866 0.519 264 HA ASP 32 HA ASP 32 -8.280 -2.850 -1.667 265 HB2 ASP 32 2HB ASP 32 -8.808 -0.607 0.326 266 HB3 ASP 32 3HB ASP 32 -9.982 -1.053 -0.918 267 H LYS 33 H LYS 33 -6.815 0.441 -1.107 268 HA LYS 33 HA LYS 33 -7.867 1.593 -3.443 269 HB2 LYS 33 2HB LYS 33 -5.382 2.170 -1.765 270 HB3 LYS 33 3HB LYS 33 -5.886 3.181 -3.126 271 HG2 LYS 33 2HG LYS 33 -7.615 2.603 -0.668 272 HG3 LYS 33 3HG LYS 33 -6.610 4.044 -0.872 273 HD2 LYS 33 2HD LYS 33 -7.876 4.633 -2.951 274 HD3 LYS 33 3HD LYS 33 -8.882 3.193 -2.746 275 HE2 LYS 33 2HE LYS 33 -9.649 4.055 -0.518 276 HE3 LYS 33 3HE LYS 33 -8.658 5.503 -0.744 277 HZ1 LYS 33 3HZ LYS 33 -10.886 4.677 -2.493 278 HZ2 LYS 33 1HZ LYS 33 -10.932 5.878 -1.389 279 HZ3 LYS 33 2HZ LYS 33 -9.972 6.013 -2.702 280 H ILE 34 H ILE 34 -4.760 -0.205 -2.808 281 HA ILE 34 HA ILE 34 -3.731 0.131 -5.381 282 HB ILE 34 HB ILE 34 -3.386 -2.076 -3.293 283 HG12 ILE 34 2HG1 ILE 34 -1.471 0.131 -4.169 284 HG13 ILE 34 3HG1 ILE 34 -2.619 0.326 -2.837 285 HG21 ILE 34 1HG2 ILE 34 -1.401 -2.786 -4.582 286 HG22 ILE 34 2HG2 ILE 34 -2.918 -2.998 -5.520 287 HG23 ILE 34 3HG2 ILE 34 -1.828 -1.616 -5.877 288 HD11 ILE 34 3HD1 ILE 34 -0.418 -1.782 -3.000 289 HD12 ILE 34 1HD1 ILE 34 -0.394 -0.287 -2.005 290 HD13 ILE 34 2HD1 ILE 34 -1.583 -1.585 -1.648 291 H HIS 35 H HIS 35 -6.020 -2.320 -3.985 292 HA HIS 35 HA HIS 35 -5.983 -4.012 -6.247 293 HB2 HIS 35 2HB HIS 35 -6.740 -4.728 -4.006 294 HB3 HIS 35 3HB HIS 35 -8.075 -3.568 -4.060 295 HD2 HIS 35 HD2 HIS 35 -10.398 -4.733 -4.894 296 HE1 HIS 35 HE1 HIS 35 -8.686 -7.946 -7.147 297 H ILE 36 H ILE 36 -7.890 -1.069 -5.378 298 HA ILE 36 HA ILE 36 -9.783 -1.345 -7.430 299 HB ILE 36 HB ILE 36 -8.673 1.064 -5.911 300 HG12 ILE 36 2HG1 ILE 36 -11.421 -0.254 -5.805 301 HG13 ILE 36 3HG1 ILE 36 -10.079 -0.742 -4.761 302 HG21 ILE 36 1HG2 ILE 36 -10.558 2.362 -6.848 303 HG22 ILE 36 2HG2 ILE 36 -9.420 1.819 -8.127 304 HG23 ILE 36 3HG2 ILE 36 -10.987 0.972 -7.901 305 HD11 ILE 36 3HD1 ILE 36 -11.313 2.047 -4.892 306 HD12 ILE 36 1HD1 ILE 36 -11.576 0.823 -3.605 307 HD13 ILE 36 2HD1 ILE 36 -9.951 1.552 -3.832 308 H VAL 37 H VAL 37 -6.503 0.226 -7.302 309 HA VAL 37 HA VAL 37 -6.758 1.352 -9.890 310 HB VAL 37 HB VAL 37 -4.357 0.791 -8.082 311 HG11 VAL 37 1HG1 VAL 37 -3.076 2.287 -9.581 312 HG12 VAL 37 2HG1 VAL 37 -3.629 0.803 -10.429 313 HG13 VAL 37 3HG1 VAL 37 -4.481 2.362 -10.698 314 HG21 VAL 37 3HG2 VAL 37 -5.945 2.463 -7.230 315 HG22 VAL 37 1HG2 VAL 37 -4.409 3.242 -7.740 316 HG23 VAL 37 2HG2 VAL 37 -5.864 3.352 -8.789 317 H GLU 38 H GLU 38 -5.374 -1.727 -8.565 318 HA GLU 38 HA GLU 38 -4.378 -2.391 -11.237 319 HB2 GLU 38 2HB GLU 38 -4.039 -3.724 -8.508 320 HB3 GLU 38 3HB GLU 38 -3.327 -4.315 -10.015 321 HG2 GLU 38 2HG GLU 38 -2.727 -1.642 -8.656 322 HG3 GLU 38 3HG GLU 38 -1.673 -3.063 -8.693 323 H ASN 39 H ASN 39 -4.565 -5.060 -11.492 324 HA ASN 39 HA ASN 39 -7.394 -5.696 -10.969 325 HB2 ASN 39 2HB ASN 39 -5.674 -6.431 -13.368 326 HB3 ASN 39 3HB ASN 39 -7.274 -7.107 -13.031 327 HD21 ASN 39 1HD2 ASN 39 -5.554 -4.674 -14.546 328 HD22 ASN 39 2HD2 ASN 39 -6.890 -3.671 -15.003 329 H THR 40 H THR 40 -4.966 -6.225 -9.255 330 HA THR 40 HA THR 40 -4.904 -9.152 -9.521 331 HB THR 40 HB THR 40 -2.847 -7.244 -8.290 332 HG1 THR 40 HG1 THR 40 -2.310 -7.185 -10.389 333 HG21 THR 40 3HG2 THR 40 -2.818 -10.286 -8.603 334 HG22 THR 40 1HG2 THR 40 -1.457 -9.276 -8.008 335 HG23 THR 40 2HG2 THR 40 -2.979 -9.380 -7.060 336 HA PRO 41 HA PRO 41 -7.195 -9.282 -5.687 337 HB2 PRO 41 2HB PRO 41 -5.658 -11.913 -5.465 338 HB3 PRO 41 3HB PRO 41 -7.396 -11.639 -5.285 339 HG2 PRO 41 2HG PRO 41 -6.482 -12.757 -7.525 340 HG3 PRO 41 3HG PRO 41 -7.761 -11.540 -7.628 341 HD2 PRO 41 2HD PRO 41 -4.797 -11.246 -8.226 342 HD3 PRO 41 3HD PRO 41 -6.179 -10.539 -9.074 343 H ILE 42 H ILE 42 -6.906 -8.817 -3.555 344 HA ILE 42 HA ILE 42 -4.451 -7.700 -2.885 345 HB ILE 42 HB ILE 42 -6.851 -8.579 -1.211 346 HG12 ILE 42 2HG1 ILE 42 -5.842 -5.801 -1.980 347 HG13 ILE 42 3HG1 ILE 42 -7.058 -6.694 -2.904 348 HG21 ILE 42 1HG2 ILE 42 -5.894 -7.237 0.633 349 HG22 ILE 42 2HG2 ILE 42 -4.849 -8.636 0.212 350 HG23 ILE 42 3HG2 ILE 42 -4.400 -6.984 -0.331 351 HD11 ILE 42 3HD1 ILE 42 -7.308 -5.844 0.016 352 HD12 ILE 42 1HD1 ILE 42 -8.110 -5.073 -1.393 353 HD13 ILE 42 2HD1 ILE 42 -8.543 -6.751 -0.922 354 H LYS 43 H LYS 43 -5.787 -11.006 -2.352 355 HA LYS 43 HA LYS 43 -3.874 -11.788 -0.424 356 HB2 LYS 43 2HB LYS 43 -5.596 -13.332 -2.418 357 HB3 LYS 43 3HB LYS 43 -4.572 -14.114 -1.207 358 HG2 LYS 43 2HG LYS 43 -5.846 -12.987 0.612 359 HG3 LYS 43 3HG LYS 43 -6.861 -12.180 -0.591 360 HD2 LYS 43 2HD LYS 43 -7.636 -14.395 -1.441 361 HD3 LYS 43 3HD LYS 43 -6.601 -15.217 -0.265 362 HE2 LYS 43 2HE LYS 43 -7.846 -14.126 1.606 363 HE3 LYS 43 3HE LYS 43 -8.870 -13.279 0.439 364 HZ1 LYS 43 3HZ LYS 43 -8.692 -16.210 0.734 365 HZ2 LYS 43 1HZ LYS 43 -9.920 -15.269 1.257 366 HZ3 LYS 43 2HZ LYS 43 -9.638 -15.428 -0.344 367 H ARG 44 H ARG 44 -3.683 -11.294 -3.915 368 HA ARG 44 HA ARG 44 -1.294 -12.982 -4.043 369 HB2 ARG 44 2HB ARG 44 -2.922 -11.649 -6.221 370 HB3 ARG 44 3HB ARG 44 -1.425 -12.554 -6.485 371 HG2 ARG 44 2HG ARG 44 -2.471 -14.595 -5.574 372 HG3 ARG 44 3HG ARG 44 -3.960 -13.701 -5.236 373 HD2 ARG 44 2HD ARG 44 -4.188 -13.226 -7.654 374 HD3 ARG 44 3HD ARG 44 -2.740 -14.194 -7.960 375 HE ARG 44 HE ARG 44 -4.603 -15.774 -6.516 376 HH11 ARG 44 1HH1 ARG 44 -4.251 -14.304 -9.688 377 HH12 ARG 44 2HH1 ARG 44 -5.177 -15.532 -10.485 378 HH21 ARG 44 1HH2 ARG 44 -5.797 -17.332 -7.549 379 HH22 ARG 44 2HH2 ARG 44 -6.065 -17.270 -9.259 380 H MET 45 H MET 45 -2.397 -9.562 -4.193 381 HA MET 45 HA MET 45 0.115 -8.573 -5.127 382 HB2 MET 45 2HB MET 45 -2.025 -7.377 -5.435 383 HB3 MET 45 3HB MET 45 -2.235 -7.256 -3.683 384 HG2 MET 45 2HG MET 45 0.252 -6.100 -4.972 385 HG3 MET 45 3HG MET 45 -1.279 -5.223 -5.085 386 HE1 MET 45 3HE MET 45 -2.594 -5.604 -1.763 387 HE2 MET 45 1HE MET 45 -2.115 -3.874 -1.833 388 HE3 MET 45 2HE MET 45 -2.734 -4.695 -3.306 389 H GLN 46 H GLN 46 1.933 -7.925 -3.995 390 HA GLN 46 HA GLN 46 1.767 -8.195 -1.063 391 HB2 GLN 46 2HB GLN 46 3.341 -9.733 -2.255 392 HB3 GLN 46 3HB GLN 46 4.171 -8.335 -2.951 393 HG2 GLN 46 2HG GLN 46 4.843 -7.572 -0.707 394 HG3 GLN 46 3HG GLN 46 3.935 -8.891 0.043 395 HE21 GLN 46 1HE2 GLN 46 6.284 -9.080 0.920 396 HE22 GLN 46 2HE2 GLN 46 7.320 -10.180 0.073 397 H LEU 47 H LEU 47 2.295 -6.435 0.245 398 HA LEU 47 HA LEU 47 2.942 -3.957 -1.230 399 HB2 LEU 47 2HB LEU 47 0.653 -3.866 -0.485 400 HB3 LEU 47 3HB LEU 47 1.064 -4.523 1.104 401 HG LEU 47 HG LEU 47 2.315 -2.429 1.651 402 HD11 LEU 47 1HD1 LEU 47 2.107 -0.476 0.158 403 HD12 LEU 47 2HD1 LEU 47 2.987 -1.824 -0.639 404 HD13 LEU 47 3HD1 LEU 47 1.273 -1.496 -1.063 405 HD21 LEU 47 3HD2 LEU 47 -0.069 -2.676 2.245 406 HD22 LEU 47 1HD2 LEU 47 0.323 -0.973 1.831 407 HD23 LEU 47 2HD2 LEU 47 -0.542 -2.009 0.646 408 H TYR 48 H TYR 48 4.918 -3.127 -0.719 409 HA TYR 48 HA TYR 48 5.884 -3.623 2.026 410 HB2 TYR 48 2HB TYR 48 7.292 -4.792 0.438 411 HB3 TYR 48 3HB TYR 48 7.361 -3.388 -0.635 412 HD1 TYR 48 HD1 TYR 48 8.422 -4.646 2.723 413 HD2 TYR 48 HD2 TYR 48 9.011 -1.696 -0.338 414 HE1 TYR 48 HE1 TYR 48 10.476 -3.874 3.870 415 HE2 TYR 48 HE2 TYR 48 11.070 -0.921 0.799 416 HH TYR 48 HH TYR 48 11.993 -2.177 3.998 417 H TYR 49 H TYR 49 6.704 -1.850 3.207 418 HA TYR 49 HA TYR 49 6.442 0.755 1.846 419 HB2 TYR 49 2HB TYR 49 4.809 0.727 3.554 420 HB3 TYR 49 3HB TYR 49 5.835 -0.190 4.665 421 HD1 TYR 49 HD1 TYR 49 5.878 3.115 2.838 422 HD2 TYR 49 HD2 TYR 49 6.784 0.968 6.441 423 HE1 TYR 49 HE1 TYR 49 6.604 5.225 3.906 424 HE2 TYR 49 HE2 TYR 49 7.507 3.076 7.518 425 HH TYR 49 HH TYR 49 6.820 5.717 7.053 426 H SER 50 H SER 50 8.227 2.112 1.811 427 HA SER 50 HA SER 50 10.757 1.501 2.059 428 HB2 SER 50 2HB SER 50 9.896 3.764 1.576 429 HB3 SER 50 3HB SER 50 9.460 3.983 3.276 430 HG SER 50 HG SER 50 11.496 4.950 2.752 431 H GLY 51 H GLY 51 11.657 0.023 3.487 432 HA2 GLY 51 2HA GLY 51 12.821 -0.214 5.500 433 HA3 GLY 51 3HA GLY 51 11.677 0.871 6.301 434 H ILE 52 H ILE 52 9.410 0.039 6.721 435 HA ILE 52 HA ILE 52 9.660 -2.779 7.432 436 HB ILE 52 HB ILE 52 7.718 -0.592 8.340 437 HG12 ILE 52 2HG1 ILE 52 9.935 -2.023 9.878 438 HG13 ILE 52 3HG1 ILE 52 10.147 -0.455 9.088 439 HG21 ILE 52 1HG2 ILE 52 6.965 -2.234 10.027 440 HG22 ILE 52 2HG2 ILE 52 6.633 -2.795 8.354 441 HG23 ILE 52 3HG2 ILE 52 8.013 -3.483 9.275 442 HD11 ILE 52 3HD1 ILE 52 8.141 -1.078 11.302 443 HD12 ILE 52 1HD1 ILE 52 9.687 -0.182 11.483 444 HD13 ILE 52 2HD1 ILE 52 8.355 0.514 10.499 445 H GLU 53 H GLU 53 8.381 -4.377 6.499 446 HA GLU 53 HA GLU 53 6.746 -3.663 4.264 447 HB2 GLU 53 2HB GLU 53 8.143 -5.744 4.441 448 HB3 GLU 53 3HB GLU 53 7.087 -6.319 5.738 449 HG2 GLU 53 2HG GLU 53 5.159 -6.364 4.186 450 HG3 GLU 53 3HG GLU 53 6.164 -5.709 2.886 451 H LEU 54 H LEU 54 4.501 -3.554 4.093 452 HA LEU 54 HA LEU 54 3.125 -3.259 6.634 453 HB2 LEU 54 2HB LEU 54 2.151 -2.871 3.764 454 HB3 LEU 54 3HB LEU 54 1.323 -2.346 5.236 455 HG LEU 54 HG LEU 54 3.999 -1.273 4.197 456 HD11 LEU 54 1HD1 LEU 54 2.721 0.808 3.857 457 HD12 LEU 54 2HD1 LEU 54 2.046 -0.546 2.889 458 HD13 LEU 54 3HD1 LEU 54 1.222 -0.021 4.396 459 HD21 LEU 54 3HD2 LEU 54 3.917 -1.341 6.663 460 HD22 LEU 54 1HD2 LEU 54 3.803 0.346 6.058 461 HD23 LEU 54 2HD2 LEU 54 2.329 -0.501 6.639 462 H ALA 55 H ALA 55 3.409 -5.734 7.048 463 HA ALA 55 HA ALA 55 1.911 -7.402 5.199 464 HB1 ALA 55 3HB ALA 55 3.597 -8.032 7.674 465 HB2 ALA 55 1HB ALA 55 2.883 -9.244 6.558 466 HB3 ALA 55 2HB ALA 55 4.145 -8.112 5.966 467 H ASP 56 H ASP 56 1.399 -5.751 8.253 468 HA ASP 56 HA ASP 56 -0.623 -7.681 9.089 469 HB2 ASP 56 2HB ASP 56 0.997 -6.673 10.718 470 HB3 ASP 56 3HB ASP 56 0.348 -5.069 10.350 471 H ASP 57 H ASP 57 -2.655 -7.520 8.211 472 HA ASP 57 HA ASP 57 -3.287 -5.325 6.555 473 HB2 ASP 57 2HB ASP 57 -4.900 -7.663 7.668 474 HB3 ASP 57 3HB ASP 57 -5.584 -6.473 6.554 475 H TYR 58 H TYR 58 -4.058 -6.108 9.993 476 HA TYR 58 HA TYR 58 -6.210 -4.127 9.936 477 HB2 TYR 58 2HB TYR 58 -5.346 -6.218 11.993 478 HB3 TYR 58 3HB TYR 58 -6.688 -5.090 12.222 479 HD1 TYR 58 HD1 TYR 58 -8.691 -5.218 10.671 480 HD2 TYR 58 HD2 TYR 58 -5.613 -8.209 10.691 481 HE1 TYR 58 HE1 TYR 58 -10.217 -6.793 9.522 482 HE2 TYR 58 HE2 TYR 58 -7.131 -9.787 9.535 483 HH TYR 58 HH TYR 58 -10.488 -8.809 8.666 484 H ARG 59 H ARG 59 -2.850 -4.249 10.614 485 HA ARG 59 HA ARG 59 -2.872 -2.404 12.797 486 HB2 ARG 59 2HB ARG 59 -0.999 -3.911 12.411 487 HB3 ARG 59 3HB ARG 59 -0.688 -3.163 10.838 488 HG2 ARG 59 2HG ARG 59 -0.090 -1.051 11.883 489 HG3 ARG 59 3HG ARG 59 -0.595 -1.636 13.474 490 HD2 ARG 59 2HD ARG 59 1.184 -3.257 13.511 491 HD3 ARG 59 3HD ARG 59 1.634 -2.867 11.846 492 HE ARG 59 HE ARG 59 1.809 -0.492 13.354 493 HH11 ARG 59 1HH1 ARG 59 3.377 -3.634 13.238 494 HH12 ARG 59 2HH1 ARG 59 4.901 -3.023 13.790 495 HH21 ARG 59 1HH2 ARG 59 3.764 0.276 14.069 496 HH22 ARG 59 2HH2 ARG 59 5.124 -0.778 14.268 497 H ASN 60 H ASN 60 -2.554 -0.128 12.773 498 HA ASN 60 HA ASN 60 -3.870 1.054 10.531 499 HB2 ASN 60 2HB ASN 60 -2.712 2.154 13.113 500 HB3 ASN 60 3HB ASN 60 -3.460 3.179 11.880 501 HD21 ASN 60 1HD2 ASN 60 -4.336 2.917 14.526 502 HD22 ASN 60 2HD2 ASN 60 -5.956 2.306 14.472 503 H LEU 61 H LEU 61 -3.047 2.753 9.132 504 HA LEU 61 HA LEU 61 -0.411 2.394 8.245 505 HB2 LEU 61 2HB LEU 61 -2.401 4.690 7.888 506 HB3 LEU 61 3HB LEU 61 -0.883 4.542 6.992 507 HG LEU 61 HG LEU 61 -3.158 2.487 6.905 508 HD11 LEU 61 1HD1 LEU 61 -3.579 3.388 4.648 509 HD12 LEU 61 2HD1 LEU 61 -3.815 4.642 5.912 510 HD13 LEU 61 3HD1 LEU 61 -2.323 4.644 4.912 511 HD21 LEU 61 3HD2 LEU 61 -0.916 1.538 6.497 512 HD22 LEU 61 1HD2 LEU 61 -1.887 1.584 4.987 513 HD23 LEU 61 2HD2 LEU 61 -0.599 2.805 5.264 514 H ASN 62 H ASN 62 -1.882 4.861 10.484 515 HA ASN 62 HA ASN 62 0.439 6.383 10.800 516 HB2 ASN 62 2HB ASN 62 -1.925 6.935 11.530 517 HB3 ASN 62 3HB ASN 62 -1.690 5.837 12.896 518 HD21 ASN 62 1HD2 ASN 62 -0.923 6.651 14.689 519 HD22 ASN 62 2HD2 ASN 62 -0.009 8.113 14.853 520 H GLU 63 H GLU 63 -0.656 3.309 12.366 521 HA GLU 63 HA GLU 63 1.291 3.373 14.420 522 HB2 GLU 63 2HB GLU 63 -0.412 1.197 13.137 523 HB3 GLU 63 3HB GLU 63 0.753 0.834 14.417 524 HG2 GLU 63 2HG GLU 63 -0.426 2.244 16.005 525 HG3 GLU 63 3HG GLU 63 -1.472 2.901 14.739 526 H TYR 64 H TYR 64 1.346 2.336 10.990 527 HA TYR 64 HA TYR 64 3.775 0.823 11.328 528 HB2 TYR 64 2HB TYR 64 1.805 1.441 9.195 529 HB3 TYR 64 3HB TYR 64 3.475 1.375 8.617 530 HD1 TYR 64 HD1 TYR 64 4.860 -0.735 9.644 531 HD2 TYR 64 HD2 TYR 64 0.600 -0.548 9.149 532 HE1 TYR 64 HE1 TYR 64 4.758 -3.208 9.613 533 HE2 TYR 64 HE2 TYR 64 0.489 -3.019 9.122 534 HH TYR 64 HH TYR 64 3.482 -5.001 9.449 535 H GLY 65 H GLY 65 2.938 4.215 10.927 536 HA2 GLY 65 2HA GLY 65 4.532 5.906 11.060 537 HA3 GLY 65 3HA GLY 65 5.773 4.803 10.453 538 H ILE 66 H ILE 66 2.546 5.019 8.884 539 HA ILE 66 HA ILE 66 3.851 5.753 6.439 540 HB ILE 66 HB ILE 66 0.889 5.383 7.131 541 HG12 ILE 66 2HG1 ILE 66 2.202 3.339 7.481 542 HG13 ILE 66 3HG1 ILE 66 1.132 3.176 6.083 543 HG21 ILE 66 1HG2 ILE 66 0.572 5.169 4.689 544 HG22 ILE 66 2HG2 ILE 66 1.203 6.788 5.142 545 HG23 ILE 66 3HG2 ILE 66 2.306 5.561 4.433 546 HD11 ILE 66 3HD1 ILE 66 4.120 3.786 5.979 547 HD12 ILE 66 1HD1 ILE 66 3.339 2.208 5.625 548 HD13 ILE 66 2HD1 ILE 66 3.034 3.620 4.559 549 H THR 67 H THR 67 4.329 7.868 5.914 550 HA THR 67 HA THR 67 2.860 9.914 7.403 551 HB THR 67 HB THR 67 4.779 11.366 6.954 552 HG1 THR 67 HG1 THR 67 6.624 10.466 5.783 553 HG21 THR 67 3HG2 THR 67 5.668 8.578 7.843 554 HG22 THR 67 1HG2 THR 67 6.550 10.112 8.151 555 HG23 THR 67 2HG2 THR 67 4.935 9.841 8.888 556 H GLU 68 H GLU 68 3.126 12.199 5.972 557 HA GLU 68 HA GLU 68 1.200 11.962 3.980 558 HB2 GLU 68 2HB GLU 68 1.726 14.038 5.226 559 HB3 GLU 68 3HB GLU 68 3.317 14.117 4.458 560 HG2 GLU 68 2HG GLU 68 2.252 14.418 2.237 561 HG3 GLU 68 3HG GLU 68 0.649 14.281 2.971 562 H PHE 69 H PHE 69 4.745 11.541 3.828 563 HA PHE 69 HA PHE 69 4.575 11.674 0.887 564 HB2 PHE 69 2HB PHE 69 6.973 12.005 2.758 565 HB3 PHE 69 3HB PHE 69 7.024 12.093 0.993 566 HD1 PHE 69 HD1 PHE 69 5.716 13.943 -0.179 567 HD2 PHE 69 HD2 PHE 69 6.389 13.894 4.065 568 HE1 PHE 69 HE1 PHE 69 5.217 16.365 -0.072 569 HE2 PHE 69 HE2 PHE 69 5.892 16.318 4.169 570 HZ PHE 69 HZ PHE 69 5.303 17.556 2.104 571 H SER 70 H SER 70 3.860 9.311 2.698 572 HA SER 70 HA SER 70 5.952 7.517 2.952 573 HB2 SER 70 2HB SER 70 3.775 7.222 4.011 574 HB3 SER 70 3HB SER 70 2.974 7.099 2.439 575 HG SER 70 HG SER 70 4.864 5.272 3.614 576 H GLU 71 H GLU 71 7.119 6.230 1.566 577 HA GLU 71 HA GLU 71 6.052 5.958 -1.171 578 HB2 GLU 71 2HB GLU 71 8.899 5.790 -0.071 579 HB3 GLU 71 3HB GLU 71 8.449 5.380 -1.732 580 HG2 GLU 71 2HG GLU 71 7.689 7.701 -2.131 581 HG3 GLU 71 3HG GLU 71 8.042 8.128 -0.452 582 H ILE 72 H ILE 72 5.180 3.985 -1.641 583 HA ILE 72 HA ILE 72 6.227 1.706 -0.106 584 HB ILE 72 HB ILE 72 3.934 0.702 -0.363 585 HG12 ILE 72 2HG1 ILE 72 3.166 3.513 -1.279 586 HG13 ILE 72 3HG1 ILE 72 3.277 2.100 -2.337 587 HG21 ILE 72 1HG2 ILE 72 2.862 2.081 1.387 588 HG22 ILE 72 2HG2 ILE 72 4.603 1.805 1.727 589 HG23 ILE 72 3HG2 ILE 72 4.054 3.389 1.082 590 HD11 ILE 72 3HD1 ILE 72 1.383 2.405 0.037 591 HD12 ILE 72 1HD1 ILE 72 0.950 2.547 -1.700 592 HD13 ILE 72 2HD1 ILE 72 1.496 0.970 -1.038 593 H VAL 73 H VAL 73 6.591 -0.257 -1.270 594 HA VAL 73 HA VAL 73 6.358 0.058 -4.180 595 HB VAL 73 HB VAL 73 8.250 -1.681 -2.513 596 HG11 VAL 73 1HG1 VAL 73 9.328 -2.209 -4.676 597 HG12 VAL 73 2HG1 VAL 73 7.626 -2.778 -4.621 598 HG13 VAL 73 3HG1 VAL 73 8.046 -1.290 -5.534 599 HG21 VAL 73 3HG2 VAL 73 8.819 0.710 -2.438 600 HG22 VAL 73 1HG2 VAL 73 10.015 -0.201 -3.420 601 HG23 VAL 73 2HG2 VAL 73 8.758 0.793 -4.231 602 H VAL 74 H VAL 74 5.176 -1.478 -5.361 603 HA VAL 74 HA VAL 74 3.895 -3.528 -3.686 604 HB VAL 74 HB VAL 74 2.691 -1.846 -5.945 605 HG11 VAL 74 1HG1 VAL 74 0.572 -2.996 -5.387 606 HG12 VAL 74 2HG1 VAL 74 1.824 -4.146 -5.965 607 HG13 VAL 74 3HG1 VAL 74 1.449 -4.033 -4.212 608 HG21 VAL 74 3HG2 VAL 74 2.949 -0.599 -3.842 609 HG22 VAL 74 1HG2 VAL 74 1.219 -0.955 -4.166 610 HG23 VAL 74 2HG2 VAL 74 2.120 -1.916 -2.945 611 H PHE 75 H PHE 75 3.953 -5.628 -4.478 612 HA PHE 75 HA PHE 75 4.858 -5.932 -7.270 613 HB2 PHE 75 2HB PHE 75 5.274 -7.735 -4.834 614 HB3 PHE 75 3HB PHE 75 5.755 -8.140 -6.487 615 HD1 PHE 75 HD1 PHE 75 7.566 -6.850 -7.618 616 HD2 PHE 75 HD2 PHE 75 6.564 -6.215 -3.489 617 HE1 PHE 75 HE1 PHE 75 9.734 -5.708 -7.266 618 HE2 PHE 75 HE2 PHE 75 8.731 -5.068 -3.141 619 HZ PHE 75 HZ PHE 75 10.318 -4.811 -5.028 620 H LEU 76 H LEU 76 3.738 -7.387 -8.628 621 HA LEU 76 HA LEU 76 1.140 -8.232 -7.515 622 HB2 LEU 76 2HB LEU 76 1.976 -7.641 -10.396 623 HB3 LEU 76 3HB LEU 76 0.355 -8.101 -9.858 624 HG LEU 76 HG LEU 76 1.819 -5.524 -9.079 625 HD11 LEU 76 1HD1 LEU 76 0.123 -4.433 -10.500 626 HD12 LEU 76 2HD1 LEU 76 1.136 -5.578 -11.443 627 HD13 LEU 76 3HD1 LEU 76 -0.531 -6.042 -10.959 628 HD21 LEU 76 3HD2 LEU 76 0.314 -6.354 -7.308 629 HD22 LEU 76 1HD2 LEU 76 -0.360 -4.888 -8.097 630 HD23 LEU 76 2HD2 LEU 76 -1.017 -6.509 -8.504 631 H LYS 77 H LYS 77 0.712 -10.397 -7.364 632 HA LYS 77 HA LYS 77 2.509 -12.214 -8.808 633 HB2 LYS 77 2HB LYS 77 0.528 -12.634 -6.518 634 HB3 LYS 77 3HB LYS 77 1.450 -13.931 -7.289 635 HG2 LYS 77 2HG LYS 77 2.633 -11.550 -5.774 636 HG3 LYS 77 3HG LYS 77 2.492 -13.204 -5.165 637 HD2 LYS 77 2HD LYS 77 3.941 -13.998 -7.073 638 HD3 LYS 77 3HD LYS 77 4.127 -12.321 -7.603 639 HE2 LYS 77 2HE LYS 77 5.106 -11.746 -5.353 640 HE3 LYS 77 3HE LYS 77 4.973 -13.445 -4.880 641 HZ1 LYS 77 3HZ LYS 77 6.574 -12.429 -7.141 642 HZ2 LYS 77 1HZ LYS 77 7.160 -12.924 -5.699 643 HZ3 LYS 77 2HZ LYS 77 6.451 -13.997 -6.704 644 H SER 78 H SER 78 1.173 -11.335 -10.824 645 HA SER 78 HA SER 78 -0.669 -13.493 -11.402 646 HB2 SER 78 2HB SER 78 -2.483 -12.041 -12.147 647 HB3 SER 78 3HB SER 78 -2.138 -11.684 -10.450 648 HG SER 78 HG SER 78 -1.920 -9.670 -11.109 649 H ILE 79 H ILE 79 -0.986 -13.779 -13.735 650 HA ILE 79 HA ILE 79 1.118 -12.406 -15.245 651 HB ILE 79 HB ILE 79 -0.351 -15.049 -15.729 652 HG12 ILE 79 2HG1 ILE 79 2.587 -14.471 -15.128 653 HG13 ILE 79 3HG1 ILE 79 1.404 -14.981 -13.916 654 HG21 ILE 79 1HG2 ILE 79 1.181 -15.335 -17.649 655 HG22 ILE 79 2HG2 ILE 79 0.107 -13.911 -17.858 656 HG23 ILE 79 3HG2 ILE 79 1.823 -13.680 -17.379 657 HD11 ILE 79 3HD1 ILE 79 2.223 -16.573 -16.388 658 HD12 ILE 79 1HD1 ILE 79 2.745 -16.882 -14.697 659 HD13 ILE 79 2HD1 ILE 79 1.021 -17.091 -15.157 660 H ASN 80 H ASN 80 -2.301 -13.683 -15.629 661 HA ASN 80 HA ASN 80 -2.727 -12.326 -18.055 662 HB2 ASN 80 2HB ASN 80 -4.597 -13.475 -15.958 663 HB3 ASN 80 3HB ASN 80 -5.177 -12.718 -17.447 664 HD21 ASN 80 1HD2 ASN 80 -5.744 -15.320 -16.808 665 HD22 ASN 80 2HD2 ASN 80 -5.006 -16.348 -17.991 666 H ARG 81 H ARG 81 -4.236 -10.480 -18.453 667 HA ARG 81 HA ARG 81 -4.235 -8.600 -16.196 668 HB2 ARG 81 2HB ARG 81 -3.276 -8.005 -19.006 669 HB3 ARG 81 3HB ARG 81 -3.587 -6.796 -17.754 670 HG2 ARG 81 2HG ARG 81 -1.818 -7.683 -16.352 671 HG3 ARG 81 3HG ARG 81 -1.596 -9.075 -17.420 672 HD2 ARG 81 2HD ARG 81 -1.118 -6.193 -18.200 673 HD3 ARG 81 3HD ARG 81 0.129 -7.313 -17.635 674 HE ARG 81 HE ARG 81 -1.123 -8.549 -19.815 675 HH11 ARG 81 1HH1 ARG 81 0.707 -5.601 -19.247 676 HH12 ARG 81 2HH1 ARG 81 1.388 -5.581 -20.839 677 HH21 ARG 81 1HH2 ARG 81 -0.251 -8.501 -21.856 678 HH22 ARG 81 2HH2 ARG 81 0.839 -7.244 -22.338 679 H ALA 82 H ALA 82 -5.526 -6.453 -17.122 680 HA ALA 82 HA ALA 82 -7.798 -7.376 -18.729 681 HB1 ALA 82 3HB ALA 82 -7.986 -6.009 -16.001 682 HB2 ALA 82 1HB ALA 82 -9.360 -6.321 -17.116 683 HB3 ALA 82 2HB ALA 82 -8.468 -7.696 -16.383 684 H LYS 83 H LYS 83 -8.856 -5.696 -19.910 685 HA LYS 83 HA LYS 83 -7.264 -3.702 -20.886 686 HB2 LYS 83 2HB LYS 83 -9.378 -4.505 -21.901 687 HB3 LYS 83 3HB LYS 83 -10.306 -3.750 -20.599 688 HG2 LYS 83 2HG LYS 83 -9.521 -1.506 -21.314 689 HG3 LYS 83 3HG LYS 83 -8.540 -2.240 -22.589 690 HD2 LYS 83 2HD LYS 83 -10.585 -3.184 -23.648 691 HD3 LYS 83 3HD LYS 83 -11.584 -2.516 -22.350 692 HE2 LYS 83 2HE LYS 83 -10.845 -0.205 -22.974 693 HE3 LYS 83 3HE LYS 83 -9.850 -0.875 -24.273 694 HZ1 LYS 83 3HZ LYS 83 -12.782 -1.132 -24.073 695 HZ2 LYS 83 1HZ LYS 83 -11.977 -0.133 -25.082 696 HZ3 LYS 83 2HZ LYS 83 -11.863 -1.751 -25.272 697 H ASP 84 H ASP 84 -9.729 -3.405 -18.198 698 HA ASP 84 HA ASP 84 -9.249 -0.659 -17.780 699 HB2 ASP 84 2HB ASP 84 -10.382 -2.906 -16.059 700 HB3 ASP 84 3HB ASP 84 -10.263 -1.240 -15.477 Start of MODEL 14 1 H ALA 1 1H ALA 1 -10.878 21.631 2.906 2 HA ALA 1 HA ALA 1 -8.803 21.289 3.988 3 HB1 ALA 1 3HB ALA 1 -11.273 20.648 5.674 4 HB2 ALA 1 1HB ALA 1 -9.693 21.220 6.306 5 HB3 ALA 1 2HB ALA 1 -10.673 22.285 5.244 6 H ALA 2 H ALA 2 -7.212 19.812 4.394 7 HA ALA 2 HA ALA 2 -7.962 17.004 4.451 8 HB1 ALA 2 3HB ALA 2 -5.260 18.436 4.479 9 HB2 ALA 2 1HB ALA 2 -5.504 16.662 4.348 10 HB3 ALA 2 2HB ALA 2 -6.085 17.747 3.040 11 H VAL 3 H VAL 3 -8.594 16.131 6.385 12 HA VAL 3 HA VAL 3 -7.002 16.926 8.723 13 HB VAL 3 HB VAL 3 -10.003 16.331 8.607 14 HG11 VAL 3 1HG1 VAL 3 -9.986 16.891 11.018 15 HG12 VAL 3 2HG1 VAL 3 -8.971 15.453 10.658 16 HG13 VAL 3 3HG1 VAL 3 -8.197 17.044 10.965 17 HG21 VAL 3 3HG2 VAL 3 -9.434 18.564 7.750 18 HG22 VAL 3 1HG2 VAL 3 -10.253 18.681 9.345 19 HG23 VAL 3 2HG2 VAL 3 -8.474 18.901 9.230 20 H ARG 4 H ARG 4 -5.721 15.137 9.161 21 HA ARG 4 HA ARG 4 -5.124 13.062 9.597 22 HB2 ARG 4 2HB ARG 4 -8.081 12.510 9.962 23 HB3 ARG 4 3HB ARG 4 -6.757 11.430 10.421 24 HG2 ARG 4 2HG ARG 4 -5.922 13.078 12.038 25 HG3 ARG 4 3HG ARG 4 -7.154 14.241 11.532 26 HD2 ARG 4 2HD ARG 4 -8.898 12.594 12.252 27 HD3 ARG 4 3HD ARG 4 -7.600 11.583 12.900 28 HE ARG 4 HE ARG 4 -7.319 14.163 14.009 29 HH11 ARG 4 1HH1 ARG 4 -9.625 11.512 14.088 30 HH12 ARG 4 2HH1 ARG 4 -10.143 11.860 15.704 31 HH21 ARG 4 1HH2 ARG 4 -8.003 14.605 16.073 32 HH22 ARG 4 2HH2 ARG 4 -9.214 13.636 16.844 33 H LYS 5 H LYS 5 -5.970 13.990 6.765 34 HA LYS 5 HA LYS 5 -6.265 11.291 5.628 35 HB2 LYS 5 2HB LYS 5 -6.486 14.057 4.346 36 HB3 LYS 5 3HB LYS 5 -6.696 12.516 3.504 37 HG2 LYS 5 2HG LYS 5 -8.444 13.478 5.824 38 HG3 LYS 5 3HG LYS 5 -8.855 13.655 4.113 39 HD2 LYS 5 2HD LYS 5 -8.642 11.125 3.870 40 HD3 LYS 5 3HD LYS 5 -8.416 11.024 5.621 41 HE2 LYS 5 2HE LYS 5 -10.634 12.186 5.943 42 HE3 LYS 5 3HE LYS 5 -10.862 12.188 4.189 43 HZ1 LYS 5 3HZ LYS 5 -10.590 9.793 5.890 44 HZ2 LYS 5 1HZ LYS 5 -11.957 10.323 5.172 45 HZ3 LYS 5 2HZ LYS 5 -10.722 9.761 4.263 46 H ILE 6 H ILE 6 -4.687 10.452 4.177 47 HA ILE 6 HA ILE 6 -2.327 12.131 3.780 48 HB ILE 6 HB ILE 6 -0.871 10.142 4.241 49 HG12 ILE 6 2HG1 ILE 6 -3.416 8.915 5.402 50 HG13 ILE 6 3HG1 ILE 6 -2.694 8.443 3.859 51 HG21 ILE 6 1HG2 ILE 6 -1.038 10.246 6.705 52 HG22 ILE 6 2HG2 ILE 6 -1.200 11.870 5.955 53 HG23 ILE 6 3HG2 ILE 6 -2.657 11.011 6.559 54 HD11 ILE 6 3HD1 ILE 6 -1.355 8.229 6.593 55 HD12 ILE 6 1HD1 ILE 6 -2.065 6.880 5.643 56 HD13 ILE 6 2HD1 ILE 6 -0.621 7.750 5.025 57 H HIS 7 H HIS 7 -1.040 11.512 1.866 58 HA HIS 7 HA HIS 7 -2.407 9.542 0.148 59 HB2 HIS 7 2HB HIS 7 -0.605 11.907 -0.581 60 HB3 HIS 7 3HB HIS 7 -1.235 10.722 -1.733 61 HD2 HIS 7 HD2 HIS 7 -3.900 11.109 -2.515 62 HE1 HIS 7 HE1 HIS 7 -4.581 14.589 -0.115 63 H VAL 8 H VAL 8 -1.150 7.890 -0.849 64 HA VAL 8 HA VAL 8 1.602 7.732 0.176 65 HB VAL 8 HB VAL 8 -0.398 5.451 -0.253 66 HG11 VAL 8 1HG1 VAL 8 1.359 4.028 0.754 67 HG12 VAL 8 2HG1 VAL 8 1.909 4.786 -0.778 68 HG13 VAL 8 3HG1 VAL 8 2.470 5.439 0.799 69 HG21 VAL 8 3HG2 VAL 8 -0.917 6.792 1.740 70 HG22 VAL 8 1HG2 VAL 8 -0.268 5.182 2.204 71 HG23 VAL 8 2HG2 VAL 8 0.781 6.637 2.303 72 H THR 9 H THR 9 3.212 7.153 -1.327 73 HA THR 9 HA THR 9 2.345 7.253 -4.078 74 HB THR 9 HB THR 9 5.124 7.153 -2.791 75 HG1 THR 9 HG1 THR 9 5.115 9.421 -3.451 76 HG21 THR 9 3HG2 THR 9 4.287 7.674 -5.686 77 HG22 THR 9 1HG2 THR 9 5.952 7.822 -5.028 78 HG23 THR 9 2HG2 THR 9 5.144 6.219 -5.075 79 H VAL 10 H VAL 10 1.963 5.425 -5.290 80 HA VAL 10 HA VAL 10 2.959 2.907 -4.202 81 HB VAL 10 HB VAL 10 0.895 3.465 -6.394 82 HG11 VAL 10 1HG1 VAL 10 0.291 1.083 -6.095 83 HG12 VAL 10 2HG1 VAL 10 1.990 1.278 -6.642 84 HG13 VAL 10 3HG1 VAL 10 1.638 0.893 -4.924 85 HG21 VAL 10 3HG2 VAL 10 0.141 4.270 -4.196 86 HG22 VAL 10 1HG2 VAL 10 -0.774 2.804 -4.688 87 HG23 VAL 10 2HG2 VAL 10 0.535 2.678 -3.464 88 H LYS 11 H LYS 11 4.820 2.057 -5.077 89 HA LYS 11 HA LYS 11 5.534 2.952 -7.790 90 HB2 LYS 11 2HB LYS 11 7.213 1.899 -5.465 91 HB3 LYS 11 3HB LYS 11 7.848 2.232 -7.082 92 HG2 LYS 11 2HG LYS 11 7.106 4.639 -6.821 93 HG3 LYS 11 3HG LYS 11 6.620 4.271 -5.161 94 HD2 LYS 11 2HD LYS 11 8.952 3.573 -4.619 95 HD3 LYS 11 3HD LYS 11 9.447 3.894 -6.286 96 HE2 LYS 11 2HE LYS 11 8.763 6.297 -6.008 97 HE3 LYS 11 3HE LYS 11 8.320 5.964 -4.328 98 HZ1 LYS 11 3HZ LYS 11 11.001 5.892 -5.527 99 HZ2 LYS 11 1HZ LYS 11 10.475 6.793 -4.271 100 HZ3 LYS 11 2HZ LYS 11 10.693 5.185 -4.087 101 H PHE 12 H PHE 12 4.938 1.424 -9.336 102 HA PHE 12 HA PHE 12 5.839 -1.322 -8.760 103 HB2 PHE 12 2HB PHE 12 4.048 -0.127 -10.927 104 HB3 PHE 12 3HB PHE 12 4.653 -1.788 -10.973 105 HD1 PHE 12 HD1 PHE 12 3.928 -3.437 -9.253 106 HD2 PHE 12 HD2 PHE 12 2.268 0.522 -9.437 107 HE1 PHE 12 HE1 PHE 12 2.026 -4.168 -7.847 108 HE2 PHE 12 HE2 PHE 12 0.370 -0.211 -8.027 109 HZ PHE 12 HZ PHE 12 0.245 -2.554 -7.230 110 HA PRO 13 HA PRO 13 9.368 -0.885 -11.424 111 HB2 PRO 13 2HB PRO 13 9.262 -3.328 -12.783 112 HB3 PRO 13 3HB PRO 13 9.820 -3.215 -11.109 113 HG2 PRO 13 2HG PRO 13 7.067 -3.957 -12.155 114 HG3 PRO 13 3HG PRO 13 8.020 -4.740 -10.888 115 HD2 PRO 13 2HD PRO 13 6.020 -3.042 -10.223 116 HD3 PRO 13 3HD PRO 13 7.515 -3.054 -9.278 117 H SER 14 H SER 14 6.148 -1.445 -12.781 118 HA SER 14 HA SER 14 7.196 -0.841 -15.455 119 HB2 SER 14 2HB SER 14 4.999 -1.570 -16.219 120 HB3 SER 14 3HB SER 14 5.713 -2.799 -15.167 121 HG SER 14 HG SER 14 3.487 -2.400 -14.680 122 H LYS 15 H LYS 15 5.336 0.571 -12.758 123 HA LYS 15 HA LYS 15 5.253 3.111 -14.049 124 HB2 LYS 15 2HB LYS 15 2.849 3.336 -14.260 125 HB3 LYS 15 3HB LYS 15 3.396 1.976 -15.250 126 HG2 LYS 15 2HG LYS 15 2.636 0.381 -13.498 127 HG3 LYS 15 3HG LYS 15 2.115 1.731 -12.483 128 HD2 LYS 15 2HD LYS 15 0.516 2.460 -14.260 129 HD3 LYS 15 3HD LYS 15 1.044 1.123 -15.290 130 HE2 LYS 15 2HE LYS 15 0.309 -0.508 -13.526 131 HE3 LYS 15 3HE LYS 15 -0.252 0.840 -12.528 132 HZ1 LYS 15 3HZ LYS 15 -1.270 0.176 -15.217 133 HZ2 LYS 15 1HZ LYS 15 -2.036 -0.117 -13.806 134 HZ3 LYS 15 2HZ LYS 15 -1.788 1.421 -14.296 135 H GLN 16 H GLN 16 4.151 4.772 -12.601 136 HA GLN 16 HA GLN 16 3.883 3.768 -9.845 137 HB2 GLN 16 2HB GLN 16 5.328 6.303 -10.774 138 HB3 GLN 16 3HB GLN 16 4.996 5.879 -9.090 139 HG2 GLN 16 2HG GLN 16 6.400 3.836 -9.326 140 HG3 GLN 16 3HG GLN 16 6.729 4.256 -11.012 141 HE21 GLN 16 1HE2 GLN 16 8.903 3.937 -9.534 142 HE22 GLN 16 2HE2 GLN 16 9.639 5.443 -9.096 143 H PHE 17 H PHE 17 2.366 4.960 -8.514 144 HA PHE 17 HA PHE 17 1.113 7.314 -9.562 145 HB2 PHE 17 2HB PHE 17 -1.170 6.374 -9.639 146 HB3 PHE 17 3HB PHE 17 -0.123 5.652 -10.867 147 HD1 PHE 17 HD1 PHE 17 -1.901 5.071 -7.680 148 HD2 PHE 17 HD2 PHE 17 0.530 3.311 -10.753 149 HE1 PHE 17 HE1 PHE 17 -2.472 2.812 -6.840 150 HE2 PHE 17 HE2 PHE 17 -0.042 1.055 -9.914 151 HZ PHE 17 HZ PHE 17 -1.539 0.801 -7.951 152 H THR 18 H THR 18 -0.677 8.074 -7.979 153 HA THR 18 HA THR 18 0.230 7.300 -5.297 154 HB THR 18 HB THR 18 -0.552 9.568 -4.606 155 HG1 THR 18 HG1 THR 18 -1.088 11.081 -6.343 156 HG21 THR 18 3HG2 THR 18 1.374 9.578 -6.981 157 HG22 THR 18 1HG2 THR 18 1.224 10.869 -5.742 158 HG23 THR 18 2HG2 THR 18 1.801 9.235 -5.270 159 H VAL 19 H VAL 19 -1.374 7.094 -3.576 160 HA VAL 19 HA VAL 19 -4.142 7.016 -4.555 161 HB VAL 19 HB VAL 19 -4.531 5.087 -3.008 162 HG11 VAL 19 1HG1 VAL 19 -3.431 3.373 -4.415 163 HG12 VAL 19 2HG1 VAL 19 -4.136 4.697 -5.402 164 HG13 VAL 19 3HG1 VAL 19 -2.365 4.638 -5.114 165 HG21 VAL 19 3HG2 VAL 19 -2.668 5.480 -1.455 166 HG22 VAL 19 1HG2 VAL 19 -2.587 3.824 -2.144 167 HG23 VAL 19 2HG2 VAL 19 -1.488 5.105 -2.755 168 H GLU 20 H GLU 20 -5.790 7.481 -2.885 169 HA GLU 20 HA GLU 20 -4.634 9.114 -0.721 170 HB2 GLU 20 2HB GLU 20 -6.030 10.294 -2.413 171 HB3 GLU 20 3HB GLU 20 -7.377 9.202 -2.066 172 HG2 GLU 20 2HG GLU 20 -7.535 10.054 0.238 173 HG3 GLU 20 3HG GLU 20 -6.100 11.060 0.001 174 H VAL 21 H VAL 21 -4.830 8.360 1.350 175 HA VAL 21 HA VAL 21 -7.129 6.639 1.917 176 HB VAL 21 HB VAL 21 -5.655 5.198 3.335 177 HG11 VAL 21 1HG1 VAL 21 -4.609 3.945 1.475 178 HG12 VAL 21 2HG1 VAL 21 -6.273 4.484 1.067 179 HG13 VAL 21 3HG1 VAL 21 -4.856 5.357 0.392 180 HG21 VAL 21 3HG2 VAL 21 -3.830 6.802 3.713 181 HG22 VAL 21 1HG2 VAL 21 -3.203 5.279 2.996 182 HG23 VAL 21 2HG2 VAL 21 -3.398 6.741 1.971 183 H ASP 22 H ASP 22 -7.327 6.343 4.448 184 HA ASP 22 HA ASP 22 -6.943 8.977 5.638 185 HB2 ASP 22 2HB ASP 22 -9.126 7.606 5.689 186 HB3 ASP 22 3HB ASP 22 -8.306 6.518 6.816 187 H ARG 23 H ARG 23 -5.810 9.331 7.636 188 HA ARG 23 HA ARG 23 -3.450 7.795 7.828 189 HB2 ARG 23 2HB ARG 23 -3.508 10.173 8.308 190 HB3 ARG 23 3HB ARG 23 -4.598 9.903 9.674 191 HG2 ARG 23 2HG ARG 23 -2.871 8.638 10.863 192 HG3 ARG 23 3HG ARG 23 -1.786 8.745 9.471 193 HD2 ARG 23 2HD ARG 23 -1.570 11.112 9.720 194 HD3 ARG 23 3HD ARG 23 -2.844 11.158 10.946 195 HE ARG 23 HE ARG 23 -0.777 9.441 11.856 196 HH11 ARG 23 1HH1 ARG 23 -1.296 12.852 11.189 197 HH12 ARG 23 2HH1 ARG 23 -0.173 13.377 12.397 198 HH21 ARG 23 1HH2 ARG 23 0.668 10.127 13.393 199 HH22 ARG 23 2HH2 ARG 23 0.957 11.813 13.664 200 H THR 24 H THR 24 -6.604 7.685 9.547 201 HA THR 24 HA THR 24 -5.436 6.100 11.668 202 HB THR 24 HB THR 24 -7.695 6.189 12.660 203 HG1 THR 24 HG1 THR 24 -8.392 7.632 10.225 204 HG21 THR 24 3HG2 THR 24 -6.797 8.885 11.531 205 HG22 THR 24 1HG2 THR 24 -7.884 8.643 12.940 206 HG23 THR 24 2HG2 THR 24 -6.174 8.099 13.020 207 H GLU 25 H GLU 25 -6.560 5.477 8.513 208 HA GLU 25 HA GLU 25 -7.981 3.042 9.111 209 HB2 GLU 25 2HB GLU 25 -7.020 4.487 6.622 210 HB3 GLU 25 3HB GLU 25 -7.548 2.802 6.516 211 HG2 GLU 25 2HG GLU 25 -9.282 5.013 7.716 212 HG3 GLU 25 3HG GLU 25 -9.312 4.584 6.000 213 H THR 26 H THR 26 -7.240 0.878 8.295 214 HA THR 26 HA THR 26 -4.459 0.519 8.980 215 HB THR 26 HB THR 26 -4.998 -1.900 8.809 216 HG1 THR 26 HG1 THR 26 -7.304 -2.425 8.397 217 HG21 THR 26 3HG2 THR 26 -7.111 -0.286 10.319 218 HG22 THR 26 1HG2 THR 26 -6.681 -2.003 10.624 219 HG23 THR 26 2HG2 THR 26 -5.471 -0.709 10.917 220 H VAL 27 H VAL 27 -3.297 -1.326 7.526 221 HA VAL 27 HA VAL 27 -2.784 0.006 5.108 222 HB VAL 27 HB VAL 27 -1.296 -1.931 4.635 223 HG11 VAL 27 1HG1 VAL 27 0.159 -1.705 6.625 224 HG12 VAL 27 2HG1 VAL 27 -0.507 -0.122 6.101 225 HG13 VAL 27 3HG1 VAL 27 -1.201 -0.960 7.530 226 HG21 VAL 27 3HG2 VAL 27 -2.741 -3.727 5.491 227 HG22 VAL 27 1HG2 VAL 27 -1.126 -3.779 6.274 228 HG23 VAL 27 2HG2 VAL 27 -2.535 -3.112 7.165 229 H SER 28 H SER 28 -5.155 -2.449 5.999 230 HA SER 28 HA SER 28 -5.349 -3.785 3.522 231 HB2 SER 28 2HB SER 28 -7.433 -4.617 4.395 232 HB3 SER 28 3HB SER 28 -6.259 -4.569 5.717 233 HG SER 28 HG SER 28 -7.218 -2.677 6.510 234 H SER 29 H SER 29 -6.756 -0.696 4.755 235 HA SER 29 HA SER 29 -8.461 -0.321 2.500 236 HB2 SER 29 2HB SER 29 -7.232 1.568 4.553 237 HB3 SER 29 3HB SER 29 -8.392 2.075 3.319 238 HG SER 29 HG SER 29 -9.120 1.356 5.597 239 H LEU 30 H LEU 30 -5.028 0.576 3.280 240 HA LEU 30 HA LEU 30 -4.568 2.038 0.922 241 HB2 LEU 30 2HB LEU 30 -3.081 2.005 2.912 242 HB3 LEU 30 3HB LEU 30 -2.710 0.300 2.620 243 HG LEU 30 HG LEU 30 -1.633 0.900 0.447 244 HD11 LEU 30 1HD1 LEU 30 -1.226 3.275 -0.083 245 HD12 LEU 30 2HD1 LEU 30 -2.981 2.896 -0.064 246 HD13 LEU 30 3HD1 LEU 30 -2.235 3.763 1.320 247 HD21 LEU 30 3HD2 LEU 30 -0.307 0.768 2.524 248 HD22 LEU 30 1HD2 LEU 30 0.330 2.040 1.429 249 HD23 LEU 30 2HD2 LEU 30 -0.652 2.498 2.861 250 H LYS 31 H LYS 31 -4.454 -1.518 1.641 251 HA LYS 31 HA LYS 31 -3.403 -2.218 -0.897 252 HB2 LYS 31 2HB LYS 31 -5.001 -3.727 1.219 253 HB3 LYS 31 3HB LYS 31 -4.398 -4.488 -0.259 254 HG2 LYS 31 2HG LYS 31 -2.047 -3.683 0.451 255 HG3 LYS 31 3HG LYS 31 -2.763 -3.280 2.017 256 HD2 LYS 31 2HD LYS 31 -3.093 -6.049 0.771 257 HD3 LYS 31 3HD LYS 31 -1.674 -5.632 1.740 258 HE2 LYS 31 2HE LYS 31 -3.225 -4.941 3.624 259 HE3 LYS 31 3HE LYS 31 -4.594 -5.502 2.656 260 HZ1 LYS 31 3HZ LYS 31 -2.345 -7.289 3.255 261 HZ2 LYS 31 1HZ LYS 31 -3.574 -7.096 4.312 262 HZ3 LYS 31 2HZ LYS 31 -3.868 -7.682 2.817 263 H ASP 32 H ASP 32 -6.755 -1.707 0.379 264 HA ASP 32 HA ASP 32 -8.145 -2.744 -1.801 265 HB2 ASP 32 2HB ASP 32 -8.701 -0.484 0.167 266 HB3 ASP 32 3HB ASP 32 -9.866 -0.949 -1.080 267 H LYS 33 H LYS 33 -6.752 0.586 -1.265 268 HA LYS 33 HA LYS 33 -7.830 1.679 -3.622 269 HB2 LYS 33 2HB LYS 33 -5.400 2.372 -1.912 270 HB3 LYS 33 3HB LYS 33 -5.920 3.350 -3.290 271 HG2 LYS 33 2HG LYS 33 -7.637 2.734 -0.833 272 HG3 LYS 33 3HG LYS 33 -6.726 4.228 -1.088 273 HD2 LYS 33 2HD LYS 33 -8.032 4.692 -3.158 274 HD3 LYS 33 3HD LYS 33 -8.920 3.176 -2.951 275 HE2 LYS 33 2HE LYS 33 -9.785 3.991 -0.743 276 HE3 LYS 33 3HE LYS 33 -8.906 5.510 -0.964 277 HZ1 LYS 33 3HZ LYS 33 -11.038 4.505 -2.739 278 HZ2 LYS 33 1HZ LYS 33 -11.193 5.704 -1.642 279 HZ3 LYS 33 2HZ LYS 33 -10.227 5.907 -2.943 280 H ILE 34 H ILE 34 -4.655 0.022 -2.936 281 HA ILE 34 HA ILE 34 -3.612 0.350 -5.499 282 HB ILE 34 HB ILE 34 -3.252 -1.839 -3.395 283 HG12 ILE 34 2HG1 ILE 34 -1.360 0.397 -4.249 284 HG13 ILE 34 3HG1 ILE 34 -2.540 0.587 -2.945 285 HG21 ILE 34 1HG2 ILE 34 -1.230 -2.509 -4.655 286 HG22 ILE 34 2HG2 ILE 34 -2.728 -2.757 -5.615 287 HG23 ILE 34 3HG2 ILE 34 -1.663 -1.352 -5.958 288 HD11 ILE 34 3HD1 ILE 34 -0.303 -1.488 -3.036 289 HD12 ILE 34 1HD1 ILE 34 -0.325 0.018 -2.057 290 HD13 ILE 34 2HD1 ILE 34 -1.502 -1.295 -1.713 291 H HIS 35 H HIS 35 -5.878 -2.128 -4.120 292 HA HIS 35 HA HIS 35 -5.748 -3.839 -6.372 293 HB2 HIS 35 2HB HIS 35 -6.484 -4.609 -4.158 294 HB3 HIS 35 3HB HIS 35 -7.836 -3.469 -4.169 295 HD2 HIS 35 HD2 HIS 35 -10.158 -4.628 -5.016 296 HE1 HIS 35 HE1 HIS 35 -8.440 -7.822 -7.292 297 H ILE 36 H ILE 36 -7.780 -0.976 -5.514 298 HA ILE 36 HA ILE 36 -9.706 -1.373 -7.503 299 HB ILE 36 HB ILE 36 -8.663 1.111 -6.064 300 HG12 ILE 36 2HG1 ILE 36 -11.350 -0.315 -5.861 301 HG13 ILE 36 3HG1 ILE 36 -9.962 -0.735 -4.849 302 HG21 ILE 36 1HG2 ILE 36 -10.626 2.311 -6.969 303 HG22 ILE 36 2HG2 ILE 36 -9.499 1.796 -8.270 304 HG23 ILE 36 3HG2 ILE 36 -11.022 0.887 -7.989 305 HD11 ILE 36 3HD1 ILE 36 -11.307 2.001 -4.983 306 HD12 ILE 36 1HD1 ILE 36 -11.486 0.786 -3.673 307 HD13 ILE 36 2HD1 ILE 36 -9.897 1.575 -3.956 308 H VAL 37 H VAL 37 -6.517 0.384 -7.514 309 HA VAL 37 HA VAL 37 -6.904 1.369 -10.151 310 HB VAL 37 HB VAL 37 -4.418 1.062 -8.389 311 HG11 VAL 37 1HG1 VAL 37 -3.316 2.617 -9.961 312 HG12 VAL 37 2HG1 VAL 37 -3.774 1.073 -10.756 313 HG13 VAL 37 3HG1 VAL 37 -4.757 2.550 -11.031 314 HG21 VAL 37 3HG2 VAL 37 -6.106 2.609 -7.505 315 HG22 VAL 37 1HG2 VAL 37 -4.661 3.503 -8.087 316 HG23 VAL 37 2HG2 VAL 37 -6.158 3.472 -9.079 317 H GLU 38 H GLU 38 -5.339 -1.554 -8.696 318 HA GLU 38 HA GLU 38 -4.228 -2.243 -11.311 319 HB2 GLU 38 2HB GLU 38 -3.916 -3.454 -8.522 320 HB3 GLU 38 3HB GLU 38 -3.141 -4.090 -9.979 321 HG2 GLU 38 2HG GLU 38 -2.692 -1.307 -8.791 322 HG3 GLU 38 3HG GLU 38 -1.598 -2.688 -8.636 323 H ASN 39 H ASN 39 -4.249 -4.944 -11.448 324 HA ASN 39 HA ASN 39 -7.098 -5.650 -11.193 325 HB2 ASN 39 2HB ASN 39 -6.896 -6.920 -13.270 326 HB3 ASN 39 3HB ASN 39 -6.586 -5.197 -13.523 327 HD21 ASN 39 1HD2 ASN 39 -5.719 -6.316 -15.515 328 HD22 ASN 39 2HD2 ASN 39 -4.012 -6.607 -15.513 329 H THR 40 H THR 40 -4.628 -6.152 -9.405 330 HA THR 40 HA THR 40 -4.611 -9.081 -9.646 331 HB THR 40 HB THR 40 -2.575 -7.178 -8.375 332 HG1 THR 40 HG1 THR 40 -2.227 -9.034 -10.578 333 HG21 THR 40 3HG2 THR 40 -2.567 -10.227 -8.622 334 HG22 THR 40 1HG2 THR 40 -1.215 -9.217 -8.007 335 HG23 THR 40 2HG2 THR 40 -2.766 -9.286 -7.105 336 HA PRO 41 HA PRO 41 -7.034 -9.176 -5.900 337 HB2 PRO 41 2HB PRO 41 -5.528 -11.819 -5.601 338 HB3 PRO 41 3HB PRO 41 -7.269 -11.530 -5.490 339 HG2 PRO 41 2HG PRO 41 -6.280 -12.666 -7.688 340 HG3 PRO 41 3HG PRO 41 -7.544 -11.439 -7.846 341 HD2 PRO 41 2HD PRO 41 -4.559 -11.176 -8.336 342 HD3 PRO 41 3HD PRO 41 -5.902 -10.457 -9.235 343 H ILE 42 H ILE 42 -6.831 -8.710 -3.755 344 HA ILE 42 HA ILE 42 -4.403 -7.592 -2.999 345 HB ILE 42 HB ILE 42 -6.865 -8.465 -1.416 346 HG12 ILE 42 2HG1 ILE 42 -5.822 -5.692 -2.155 347 HG13 ILE 42 3HG1 ILE 42 -7.009 -6.584 -3.115 348 HG21 ILE 42 1HG2 ILE 42 -5.982 -7.120 0.462 349 HG22 ILE 42 2HG2 ILE 42 -4.922 -8.521 0.085 350 HG23 ILE 42 3HG2 ILE 42 -4.451 -6.870 -0.443 351 HD11 ILE 42 3HD1 ILE 42 -7.355 -5.718 -0.210 352 HD12 ILE 42 1HD1 ILE 42 -8.105 -4.950 -1.650 353 HD13 ILE 42 2HD1 ILE 42 -8.561 -6.624 -1.185 354 H LYS 43 H LYS 43 -5.777 -10.888 -2.461 355 HA LYS 43 HA LYS 43 -3.945 -11.638 -0.446 356 HB2 LYS 43 2HB LYS 43 -5.605 -13.219 -2.462 357 HB3 LYS 43 3HB LYS 43 -4.637 -13.977 -1.191 358 HG2 LYS 43 2HG LYS 43 -5.970 -12.787 0.545 359 HG3 LYS 43 3HG LYS 43 -6.927 -12.002 -0.719 360 HD2 LYS 43 2HD LYS 43 -7.695 -14.231 -1.537 361 HD3 LYS 43 3HD LYS 43 -6.716 -15.032 -0.301 362 HE2 LYS 43 2HE LYS 43 -8.019 -13.878 1.490 363 HE3 LYS 43 3HE LYS 43 -8.988 -13.054 0.261 364 HZ1 LYS 43 3HZ LYS 43 -8.853 -15.977 0.644 365 HZ2 LYS 43 1HZ LYS 43 -10.090 -15.010 1.093 366 HZ3 LYS 43 2HZ LYS 43 -9.749 -15.216 -0.491 367 H ARG 44 H ARG 44 -3.602 -11.210 -3.927 368 HA ARG 44 HA ARG 44 -1.230 -12.932 -3.919 369 HB2 ARG 44 2HB ARG 44 -2.739 -11.667 -6.220 370 HB3 ARG 44 3HB ARG 44 -1.276 -12.650 -6.365 371 HG2 ARG 44 2HG ARG 44 -2.443 -14.597 -5.428 372 HG3 ARG 44 3HG ARG 44 -3.896 -13.627 -5.149 373 HD2 ARG 44 2HD ARG 44 -4.032 -13.219 -7.599 374 HD3 ARG 44 3HD ARG 44 -2.656 -14.308 -7.820 375 HE ARG 44 HE ARG 44 -4.664 -15.671 -6.354 376 HH11 ARG 44 1HH1 ARG 44 -4.140 -14.381 -9.581 377 HH12 ARG 44 2HH1 ARG 44 -5.143 -15.571 -10.343 378 HH21 ARG 44 1HH2 ARG 44 -5.951 -17.183 -7.343 379 HH22 ARG 44 2HH2 ARG 44 -6.183 -17.179 -9.059 380 H MET 45 H MET 45 -2.314 -9.520 -4.194 381 HA MET 45 HA MET 45 0.191 -8.543 -5.133 382 HB2 MET 45 2HB MET 45 -1.948 -7.342 -5.421 383 HB3 MET 45 3HB MET 45 -2.138 -7.214 -3.667 384 HG2 MET 45 2HG MET 45 0.347 -6.075 -4.968 385 HG3 MET 45 3HG MET 45 -1.181 -5.195 -5.104 386 HE1 MET 45 3HE MET 45 -2.483 -5.306 -1.679 387 HE2 MET 45 1HE MET 45 -1.997 -3.630 -2.105 388 HE3 MET 45 2HE MET 45 -2.663 -4.720 -3.367 389 H GLN 46 H GLN 46 2.039 -7.958 -4.028 390 HA GLN 46 HA GLN 46 1.933 -8.278 -1.105 391 HB2 GLN 46 2HB GLN 46 3.524 -9.719 -2.387 392 HB3 GLN 46 3HB GLN 46 4.289 -8.272 -3.059 393 HG2 GLN 46 2HG GLN 46 4.977 -7.559 -0.789 394 HG3 GLN 46 3HG GLN 46 4.172 -8.968 -0.087 395 HE21 GLN 46 1HE2 GLN 46 6.546 -9.075 0.715 396 HE22 GLN 46 2HE2 GLN 46 7.619 -10.061 -0.222 397 H LEU 47 H LEU 47 2.460 -6.563 0.268 398 HA LEU 47 HA LEU 47 2.964 -4.004 -1.120 399 HB2 LEU 47 2HB LEU 47 0.683 -4.059 -0.327 400 HB3 LEU 47 3HB LEU 47 1.170 -4.721 1.239 401 HG LEU 47 HG LEU 47 2.324 -2.577 1.795 402 HD11 LEU 47 1HD1 LEU 47 1.989 -0.613 0.340 403 HD12 LEU 47 2HD1 LEU 47 2.917 -1.902 -0.497 404 HD13 LEU 47 3HD1 LEU 47 1.180 -1.652 -0.881 405 HD21 LEU 47 3HD2 LEU 47 -0.031 -2.950 2.435 406 HD22 LEU 47 1HD2 LEU 47 0.269 -1.223 2.043 407 HD23 LEU 47 2HD2 LEU 47 -0.572 -2.280 0.859 408 H TYR 48 H TYR 48 5.044 -3.362 -0.706 409 HA TYR 48 HA TYR 48 6.024 -3.798 2.044 410 HB2 TYR 48 2HB TYR 48 7.370 -5.038 0.465 411 HB3 TYR 48 3HB TYR 48 7.452 -3.667 -0.649 412 HD1 TYR 48 HD1 TYR 48 8.539 -4.836 2.738 413 HD2 TYR 48 HD2 TYR 48 9.164 -2.030 -0.450 414 HE1 TYR 48 HE1 TYR 48 10.637 -4.086 3.816 415 HE2 TYR 48 HE2 TYR 48 11.267 -1.279 0.619 416 HH TYR 48 HH TYR 48 12.778 -1.698 2.216 417 H TYR 49 H TYR 49 6.782 -2.018 3.214 418 HA TYR 49 HA TYR 49 6.772 0.551 1.760 419 HB2 TYR 49 2HB TYR 49 5.028 0.592 3.403 420 HB3 TYR 49 3HB TYR 49 6.037 -0.202 4.619 421 HD1 TYR 49 HD1 TYR 49 6.261 2.878 2.436 422 HD2 TYR 49 HD2 TYR 49 6.770 1.166 6.338 423 HE1 TYR 49 HE1 TYR 49 6.947 5.089 3.311 424 HE2 TYR 49 HE2 TYR 49 7.453 3.375 7.222 425 HH TYR 49 HH TYR 49 7.818 5.506 6.782 426 H SER 50 H SER 50 8.646 1.782 1.787 427 HA SER 50 HA SER 50 11.113 1.027 2.202 428 HB2 SER 50 2HB SER 50 10.427 3.327 1.624 429 HB3 SER 50 3HB SER 50 9.906 3.612 3.290 430 HG SER 50 HG SER 50 12.027 4.439 2.871 431 H GLY 51 H GLY 51 11.858 -0.454 3.708 432 HA2 GLY 51 2HA GLY 51 12.822 -0.756 5.815 433 HA3 GLY 51 3HA GLY 51 11.671 0.390 6.515 434 H ILE 52 H ILE 52 9.339 -0.315 6.741 435 HA ILE 52 HA ILE 52 9.414 -3.120 7.534 436 HB ILE 52 HB ILE 52 7.488 -0.841 8.226 437 HG12 ILE 52 2HG1 ILE 52 9.555 -2.269 9.961 438 HG13 ILE 52 3HG1 ILE 52 9.854 -0.731 9.141 439 HG21 ILE 52 1HG2 ILE 52 6.572 -2.400 9.913 440 HG22 ILE 52 2HG2 ILE 52 6.344 -3.015 8.241 441 HG23 ILE 52 3HG2 ILE 52 7.636 -3.702 9.281 442 HD11 ILE 52 3HD1 ILE 52 7.689 -1.246 11.229 443 HD12 ILE 52 1HD1 ILE 52 9.238 -0.376 11.490 444 HD13 ILE 52 2HD1 ILE 52 7.992 0.316 10.397 445 H GLU 53 H GLU 53 8.157 -4.696 6.536 446 HA GLU 53 HA GLU 53 6.587 -3.984 4.250 447 HB2 GLU 53 2HB GLU 53 7.865 -6.089 4.387 448 HB3 GLU 53 3HB GLU 53 6.940 -6.590 5.808 449 HG2 GLU 53 2HG GLU 53 4.864 -6.681 4.450 450 HG3 GLU 53 3HG GLU 53 5.753 -6.122 3.027 451 H LEU 54 H LEU 54 4.324 -3.910 4.019 452 HA LEU 54 HA LEU 54 3.003 -3.338 6.559 453 HB2 LEU 54 2HB LEU 54 2.092 -2.925 3.671 454 HB3 LEU 54 3HB LEU 54 1.300 -2.293 5.120 455 HG LEU 54 HG LEU 54 4.077 -1.502 4.093 456 HD11 LEU 54 1HD1 LEU 54 3.004 0.686 3.703 457 HD12 LEU 54 2HD1 LEU 54 2.210 -0.615 2.754 458 HD13 LEU 54 3HD1 LEU 54 1.429 0.013 4.244 459 HD21 LEU 54 3HD2 LEU 54 3.967 -1.512 6.561 460 HD22 LEU 54 1HD2 LEU 54 4.021 0.165 5.921 461 HD23 LEU 54 2HD2 LEU 54 2.468 -0.524 6.504 462 H ALA 55 H ALA 55 2.977 -5.786 7.093 463 HA ALA 55 HA ALA 55 1.295 -7.317 5.238 464 HB1 ALA 55 3HB ALA 55 3.212 -8.164 7.467 465 HB2 ALA 55 1HB ALA 55 2.304 -9.276 6.388 466 HB3 ALA 55 2HB ALA 55 3.555 -8.184 5.704 467 H ASP 56 H ASP 56 1.167 -5.728 8.340 468 HA ASP 56 HA ASP 56 -0.627 -7.719 9.479 469 HB2 ASP 56 2HB ASP 56 1.176 -6.641 10.833 470 HB3 ASP 56 3HB ASP 56 0.434 -5.060 10.552 471 H ASP 57 H ASP 57 -2.794 -7.653 9.037 472 HA ASP 57 HA ASP 57 -3.873 -5.493 7.566 473 HB2 ASP 57 2HB ASP 57 -5.058 -7.931 8.961 474 HB3 ASP 57 3HB ASP 57 -6.061 -6.761 8.093 475 H TYR 58 H TYR 58 -3.665 -6.205 11.063 476 HA TYR 58 HA TYR 58 -5.922 -4.421 11.588 477 HB2 TYR 58 2HB TYR 58 -4.279 -6.283 13.375 478 HB3 TYR 58 3HB TYR 58 -5.626 -5.284 13.937 479 HD1 TYR 58 HD1 TYR 58 -7.955 -5.732 13.060 480 HD2 TYR 58 HD2 TYR 58 -4.665 -8.369 12.255 481 HE1 TYR 58 HE1 TYR 58 -9.546 -7.530 12.457 482 HE2 TYR 58 HE2 TYR 58 -6.251 -10.170 11.648 483 HH TYR 58 HH TYR 58 -9.808 -9.614 11.779 484 H ARG 59 H ARG 59 -2.494 -4.256 11.293 485 HA ARG 59 HA ARG 59 -2.187 -2.216 13.319 486 HB2 ARG 59 2HB ARG 59 -0.372 -3.784 12.816 487 HB3 ARG 59 3HB ARG 59 -0.289 -3.171 11.159 488 HG2 ARG 59 2HG ARG 59 0.414 -0.978 11.930 489 HG3 ARG 59 3HG ARG 59 0.133 -1.424 13.618 490 HD2 ARG 59 2HD ARG 59 1.928 -3.021 13.563 491 HD3 ARG 59 3HD ARG 59 2.140 -2.794 11.822 492 HE ARG 59 HE ARG 59 2.480 -0.291 13.114 493 HH11 ARG 59 1HH1 ARG 59 4.091 -3.403 12.874 494 HH12 ARG 59 2HH1 ARG 59 5.671 -2.731 13.101 495 HH21 ARG 59 1HH2 ARG 59 4.508 0.555 13.415 496 HH22 ARG 59 2HH2 ARG 59 5.912 -0.459 13.413 497 H ASN 60 H ASN 60 -2.174 0.022 13.012 498 HA ASN 60 HA ASN 60 -3.655 0.803 10.676 499 HB2 ASN 60 2HB ASN 60 -2.685 2.302 13.136 500 HB3 ASN 60 3HB ASN 60 -3.602 3.057 11.826 501 HD21 ASN 60 1HD2 ASN 60 -3.874 1.846 14.802 502 HD22 ASN 60 2HD2 ASN 60 -5.550 1.407 14.794 503 H LEU 61 H LEU 61 -3.042 2.682 9.290 504 HA LEU 61 HA LEU 61 -0.425 2.542 8.314 505 HB2 LEU 61 2HB LEU 61 -2.621 4.653 8.102 506 HB3 LEU 61 3HB LEU 61 -1.094 4.757 7.215 507 HG LEU 61 HG LEU 61 -3.031 2.397 6.963 508 HD11 LEU 61 1HD1 LEU 61 -3.716 3.428 4.830 509 HD12 LEU 61 2HD1 LEU 61 -4.113 4.483 6.229 510 HD13 LEU 61 3HD1 LEU 61 -2.696 4.862 5.192 511 HD21 LEU 61 3HD2 LEU 61 -0.676 1.923 6.388 512 HD22 LEU 61 1HD2 LEU 61 -1.710 1.944 4.920 513 HD23 LEU 61 2HD2 LEU 61 -0.651 3.346 5.292 514 H ASN 62 H ASN 62 -1.961 4.826 10.699 515 HA ASN 62 HA ASN 62 0.283 6.460 11.016 516 HB2 ASN 62 2HB ASN 62 -1.945 7.036 11.843 517 HB3 ASN 62 3HB ASN 62 -1.907 5.680 12.978 518 HD21 ASN 62 1HD2 ASN 62 -1.422 6.183 14.960 519 HD22 ASN 62 2HD2 ASN 62 -0.372 7.457 15.482 520 H GLU 63 H GLU 63 -0.645 3.313 12.581 521 HA GLU 63 HA GLU 63 1.449 3.369 14.479 522 HB2 GLU 63 2HB GLU 63 -0.262 1.165 13.251 523 HB3 GLU 63 3HB GLU 63 0.980 0.828 14.465 524 HG2 GLU 63 2HG GLU 63 -0.167 2.235 16.113 525 HG3 GLU 63 3HG GLU 63 -1.340 2.772 14.903 526 H TYR 64 H TYR 64 1.284 2.414 11.028 527 HA TYR 64 HA TYR 64 3.797 1.014 11.134 528 HB2 TYR 64 2HB TYR 64 1.697 1.703 9.121 529 HB3 TYR 64 3HB TYR 64 3.343 1.586 8.486 530 HD1 TYR 64 HD1 TYR 64 4.684 -0.585 9.459 531 HD2 TYR 64 HD2 TYR 64 0.423 -0.240 9.074 532 HE1 TYR 64 HE1 TYR 64 4.492 -3.053 9.409 533 HE2 TYR 64 HE2 TYR 64 0.224 -2.708 9.020 534 HH TYR 64 HH TYR 64 3.148 -4.798 9.257 535 H GLY 65 H GLY 65 2.785 4.376 10.938 536 HA2 GLY 65 2HA GLY 65 4.229 6.165 11.019 537 HA3 GLY 65 3HA GLY 65 5.562 5.136 10.479 538 H ILE 66 H ILE 66 2.393 5.158 8.776 539 HA ILE 66 HA ILE 66 3.797 5.887 6.375 540 HB ILE 66 HB ILE 66 0.840 5.290 6.909 541 HG12 ILE 66 2HG1 ILE 66 2.291 3.377 7.405 542 HG13 ILE 66 3HG1 ILE 66 1.325 3.083 5.953 543 HG21 ILE 66 1HG2 ILE 66 0.690 4.977 4.459 544 HG22 ILE 66 2HG2 ILE 66 1.157 6.657 4.890 545 HG23 ILE 66 3HG2 ILE 66 2.398 5.506 4.291 546 HD11 ILE 66 3HD1 ILE 66 4.254 3.939 6.002 547 HD12 ILE 66 1HD1 ILE 66 3.629 2.291 5.658 548 HD13 ILE 66 2HD1 ILE 66 3.273 3.641 4.528 549 H THR 67 H THR 67 3.952 7.948 5.533 550 HA THR 67 HA THR 67 2.287 9.970 6.859 551 HB THR 67 HB THR 67 4.089 11.563 6.381 552 HG1 THR 67 HG1 THR 67 5.333 9.257 5.109 553 HG21 THR 67 3HG2 THR 67 5.165 8.967 7.586 554 HG22 THR 67 1HG2 THR 67 5.880 10.601 7.796 555 HG23 THR 67 2HG2 THR 67 4.250 10.242 8.458 556 H GLU 68 H GLU 68 2.676 12.153 5.146 557 HA GLU 68 HA GLU 68 1.017 11.397 2.922 558 HB2 GLU 68 2HB GLU 68 2.290 14.031 3.802 559 HB3 GLU 68 3HB GLU 68 1.218 13.870 2.405 560 HG2 GLU 68 2HG GLU 68 -0.635 13.140 3.861 561 HG3 GLU 68 3HG GLU 68 0.427 13.163 5.274 562 H PHE 69 H PHE 69 4.413 11.364 3.486 563 HA PHE 69 HA PHE 69 4.924 11.788 0.608 564 HB2 PHE 69 2HB PHE 69 6.782 12.182 3.006 565 HB3 PHE 69 3HB PHE 69 7.234 12.390 1.309 566 HD1 PHE 69 HD1 PHE 69 6.004 14.180 -0.061 567 HD2 PHE 69 HD2 PHE 69 5.807 13.949 4.225 568 HE1 PHE 69 HE1 PHE 69 5.274 16.543 0.033 569 HE2 PHE 69 HE2 PHE 69 5.072 16.313 4.315 570 HZ PHE 69 HZ PHE 69 4.804 17.614 2.223 571 H SER 70 H SER 70 4.460 9.369 2.872 572 HA SER 70 HA SER 70 6.832 7.858 2.682 573 HB2 SER 70 2HB SER 70 3.952 7.331 3.451 574 HB3 SER 70 3HB SER 70 5.084 5.982 3.293 575 HG SER 70 HG SER 70 6.214 6.654 5.005 576 H GLU 71 H GLU 71 7.552 6.314 1.223 577 HA GLU 71 HA GLU 71 5.841 5.970 -1.157 578 HB2 GLU 71 2HB GLU 71 8.875 5.827 -0.812 579 HB3 GLU 71 3HB GLU 71 8.010 5.464 -2.311 580 HG2 GLU 71 2HG GLU 71 7.294 7.749 -2.572 581 HG3 GLU 71 3HG GLU 71 7.769 8.168 -0.921 582 H ILE 72 H ILE 72 5.158 3.922 -1.700 583 HA ILE 72 HA ILE 72 6.375 1.734 -0.155 584 HB ILE 72 HB ILE 72 4.146 0.582 -0.424 585 HG12 ILE 72 2HG1 ILE 72 3.187 3.333 -1.338 586 HG13 ILE 72 3HG1 ILE 72 3.451 1.961 -2.423 587 HG21 ILE 72 1HG2 ILE 72 2.981 1.912 1.305 588 HG22 ILE 72 2HG2 ILE 72 4.733 1.743 1.660 589 HG23 ILE 72 3HG2 ILE 72 4.096 3.285 0.995 590 HD11 ILE 72 3HD1 ILE 72 1.479 2.038 -0.094 591 HD12 ILE 72 1HD1 ILE 72 1.078 2.182 -1.839 592 HD13 ILE 72 2HD1 ILE 72 1.747 0.645 -1.195 593 H VAL 73 H VAL 73 6.871 -0.226 -1.276 594 HA VAL 73 HA VAL 73 6.618 -0.012 -4.192 595 HB VAL 73 HB VAL 73 8.518 -1.679 -2.463 596 HG11 VAL 73 1HG1 VAL 73 9.614 -2.262 -4.606 597 HG12 VAL 73 2HG1 VAL 73 7.917 -2.847 -4.542 598 HG13 VAL 73 3HG1 VAL 73 8.327 -1.382 -5.498 599 HG21 VAL 73 3HG2 VAL 73 9.061 0.719 -2.461 600 HG22 VAL 73 1HG2 VAL 73 10.272 -0.209 -3.408 601 HG23 VAL 73 2HG2 VAL 73 9.009 0.745 -4.256 602 H VAL 74 H VAL 74 5.362 -1.526 -5.302 603 HA VAL 74 HA VAL 74 4.147 -3.571 -3.572 604 HB VAL 74 HB VAL 74 2.834 -1.920 -5.791 605 HG11 VAL 74 1HG1 VAL 74 0.741 -3.012 -5.043 606 HG12 VAL 74 2HG1 VAL 74 1.936 -4.205 -5.655 607 HG13 VAL 74 3HG1 VAL 74 1.683 -4.013 -3.887 608 HG21 VAL 74 3HG2 VAL 74 3.251 -0.591 -3.764 609 HG22 VAL 74 1HG2 VAL 74 1.498 -0.932 -3.955 610 HG23 VAL 74 2HG2 VAL 74 2.467 -1.856 -2.759 611 H PHE 75 H PHE 75 3.959 -5.665 -4.433 612 HA PHE 75 HA PHE 75 5.004 -5.975 -7.177 613 HB2 PHE 75 2HB PHE 75 5.217 -7.858 -4.776 614 HB3 PHE 75 3HB PHE 75 5.840 -8.181 -6.400 615 HD1 PHE 75 HD1 PHE 75 7.785 -6.921 -7.276 616 HD2 PHE 75 HD2 PHE 75 6.362 -6.359 -3.261 617 HE1 PHE 75 HE1 PHE 75 9.919 -5.821 -6.673 618 HE2 PHE 75 HE2 PHE 75 8.496 -5.258 -2.661 619 HZ PHE 75 HZ PHE 75 10.278 -4.987 -4.364 620 H LEU 76 H LEU 76 3.929 -7.415 -8.591 621 HA LEU 76 HA LEU 76 1.241 -8.159 -7.643 622 HB2 LEU 76 2HB LEU 76 2.336 -7.744 -10.469 623 HB3 LEU 76 3HB LEU 76 0.665 -8.155 -10.057 624 HG LEU 76 HG LEU 76 2.096 -5.562 -9.266 625 HD11 LEU 76 1HD1 LEU 76 0.570 -4.517 -10.900 626 HD12 LEU 76 2HD1 LEU 76 1.649 -5.721 -11.682 627 HD13 LEU 76 3HD1 LEU 76 -0.065 -6.137 -11.346 628 HD21 LEU 76 3HD2 LEU 76 0.407 -6.285 -7.617 629 HD22 LEU 76 1HD2 LEU 76 -0.158 -4.849 -8.536 630 HD23 LEU 76 2HD2 LEU 76 -0.802 -6.478 -8.931 631 H LYS 77 H LYS 77 0.556 -10.293 -7.682 632 HA LYS 77 HA LYS 77 2.364 -12.206 -9.020 633 HB2 LYS 77 2HB LYS 77 0.767 -12.514 -6.434 634 HB3 LYS 77 3HB LYS 77 1.578 -13.843 -7.272 635 HG2 LYS 77 2HG LYS 77 3.775 -12.640 -6.979 636 HG3 LYS 77 3HG LYS 77 2.936 -11.382 -6.062 637 HD2 LYS 77 2HD LYS 77 2.155 -13.116 -4.421 638 HD3 LYS 77 3HD LYS 77 3.027 -14.357 -5.330 639 HE2 LYS 77 2HE LYS 77 5.175 -13.129 -4.943 640 HE3 LYS 77 3HE LYS 77 4.302 -11.892 -4.030 641 HZ1 LYS 77 3HZ LYS 77 4.460 -14.747 -3.303 642 HZ2 LYS 77 1HZ LYS 77 5.280 -13.530 -2.586 643 HZ3 LYS 77 2HZ LYS 77 3.654 -13.604 -2.460 644 H SER 78 H SER 78 0.802 -11.572 -10.903 645 HA SER 78 HA SER 78 -1.011 -13.820 -11.030 646 HB2 SER 78 2HB SER 78 -2.939 -12.516 -11.734 647 HB3 SER 78 3HB SER 78 -2.453 -12.022 -10.107 648 HG SER 78 HG SER 78 -1.177 -10.566 -12.101 649 H ILE 79 H ILE 79 -1.559 -14.380 -13.259 650 HA ILE 79 HA ILE 79 0.304 -13.121 -15.139 651 HB ILE 79 HB ILE 79 -1.095 -15.845 -15.164 652 HG12 ILE 79 2HG1 ILE 79 1.864 -15.114 -14.963 653 HG13 ILE 79 3HG1 ILE 79 0.843 -15.521 -13.578 654 HG21 ILE 79 1HG2 ILE 79 0.229 -16.297 -17.203 655 HG22 ILE 79 2HG2 ILE 79 -0.922 -14.939 -17.441 656 HG23 ILE 79 3HG2 ILE 79 0.824 -14.603 -17.188 657 HD11 ILE 79 3HD1 ILE 79 1.454 -17.353 -15.942 658 HD12 ILE 79 1HD1 ILE 79 2.169 -17.457 -14.298 659 HD13 ILE 79 2HD1 ILE 79 0.416 -17.766 -14.535 660 H ASN 80 H ASN 80 -3.057 -14.603 -15.068 661 HA ASN 80 HA ASN 80 -3.890 -13.291 -17.413 662 HB2 ASN 80 2HB ASN 80 -5.379 -14.495 -15.058 663 HB3 ASN 80 3HB ASN 80 -6.206 -13.771 -16.443 664 HD21 ASN 80 1HD2 ASN 80 -6.580 -16.383 -15.735 665 HD22 ASN 80 2HD2 ASN 80 -5.982 -17.391 -17.010 666 H ARG 81 H ARG 81 -5.616 -11.557 -17.537 667 HA ARG 81 HA ARG 81 -5.075 -9.553 -15.446 668 HB2 ARG 81 2HB ARG 81 -5.426 -9.174 -18.429 669 HB3 ARG 81 3HB ARG 81 -5.441 -7.859 -17.246 670 HG2 ARG 81 2HG ARG 81 -3.131 -8.532 -16.527 671 HG3 ARG 81 3HG ARG 81 -3.125 -9.766 -17.793 672 HD2 ARG 81 2HD ARG 81 -3.363 -6.777 -18.192 673 HD3 ARG 81 3HD ARG 81 -1.919 -7.764 -18.456 674 HE ARG 81 HE ARG 81 -3.903 -8.870 -20.077 675 HH11 ARG 81 1HH1 ARG 81 -2.346 -5.733 -19.772 676 HH12 ARG 81 2HH1 ARG 81 -2.494 -5.369 -21.459 677 HH21 ARG 81 1HH2 ARG 81 -4.094 -8.384 -22.233 678 HH22 ARG 81 2HH2 ARG 81 -3.497 -6.888 -22.872 679 H ALA 82 H ALA 82 -6.885 -7.677 -15.662 680 HA ALA 82 HA ALA 82 -9.486 -8.740 -16.353 681 HB1 ALA 82 3HB ALA 82 -8.741 -8.047 -13.470 682 HB2 ALA 82 1HB ALA 82 -10.401 -8.371 -14.075 683 HB3 ALA 82 2HB ALA 82 -9.166 -9.675 -14.098 684 H LYS 83 H LYS 83 -11.156 -7.061 -16.365 685 HA LYS 83 HA LYS 83 -10.240 -4.563 -17.192 686 HB2 LYS 83 2HB LYS 83 -12.440 -5.531 -17.766 687 HB3 LYS 83 3HB LYS 83 -12.949 -5.429 -16.076 688 HG2 LYS 83 2HG LYS 83 -12.780 -2.947 -16.163 689 HG3 LYS 83 3HG LYS 83 -12.234 -3.034 -17.842 690 HD2 LYS 83 2HD LYS 83 -14.378 -4.141 -18.491 691 HD3 LYS 83 3HD LYS 83 -14.924 -4.083 -16.810 692 HE2 LYS 83 2HE LYS 83 -14.750 -1.580 -16.849 693 HE3 LYS 83 3HE LYS 83 -14.227 -1.648 -18.537 694 HZ1 LYS 83 3HZ LYS 83 -16.825 -2.612 -17.521 695 HZ2 LYS 83 1HZ LYS 83 -16.578 -1.231 -18.355 696 HZ3 LYS 83 2HZ LYS 83 -16.343 -2.675 -19.080 697 H ASP 84 H ASP 84 -12.036 -5.317 -14.078 698 HA ASP 84 HA ASP 84 -11.241 -2.850 -12.909 699 HB2 ASP 84 2HB ASP 84 -12.432 -5.446 -11.843 700 HB3 ASP 84 3HB ASP 84 -12.038 -4.086 -10.784 Start of MODEL 15 1 H ALA 1 1H ALA 1 -10.939 21.366 2.726 2 HA ALA 1 HA ALA 1 -8.898 21.228 3.914 3 HB1 ALA 1 3HB ALA 1 -11.386 20.409 5.494 4 HB2 ALA 1 1HB ALA 1 -9.894 21.129 6.187 5 HB3 ALA 1 2HB ALA 1 -10.908 22.083 5.053 6 H ALA 2 H ALA 2 -7.207 19.883 4.349 7 HA ALA 2 HA ALA 2 -7.720 17.032 4.472 8 HB1 ALA 2 3HB ALA 2 -5.151 18.687 4.572 9 HB2 ALA 2 1HB ALA 2 -5.241 16.896 4.476 10 HB3 ALA 2 2HB ALA 2 -5.856 17.900 3.120 11 H VAL 3 H VAL 3 -8.526 16.314 6.432 12 HA VAL 3 HA VAL 3 -6.997 17.171 8.792 13 HB VAL 3 HB VAL 3 -9.994 16.586 8.587 14 HG11 VAL 3 1HG1 VAL 3 -10.063 17.228 10.977 15 HG12 VAL 3 2HG1 VAL 3 -9.047 15.773 10.704 16 HG13 VAL 3 3HG1 VAL 3 -8.273 17.369 10.986 17 HG21 VAL 3 3HG2 VAL 3 -9.379 18.786 7.678 18 HG22 VAL 3 1HG2 VAL 3 -10.255 18.960 9.236 19 HG23 VAL 3 2HG2 VAL 3 -8.471 19.166 9.180 20 H ARG 4 H ARG 4 -5.784 15.414 9.448 21 HA ARG 4 HA ARG 4 -5.220 13.357 10.002 22 HB2 ARG 4 2HB ARG 4 -8.194 12.790 10.100 23 HB3 ARG 4 3HB ARG 4 -6.915 11.730 10.707 24 HG2 ARG 4 2HG ARG 4 -6.237 13.438 12.346 25 HG3 ARG 4 3HG ARG 4 -7.444 14.561 11.707 26 HD2 ARG 4 2HD ARG 4 -9.209 12.894 12.316 27 HD3 ARG 4 3HD ARG 4 -7.952 11.925 13.096 28 HE ARG 4 HE ARG 4 -7.817 14.537 14.163 29 HH11 ARG 4 1HH1 ARG 4 -10.064 11.835 14.113 30 HH12 ARG 4 2HH1 ARG 4 -10.725 12.207 15.670 31 HH21 ARG 4 1HH2 ARG 4 -8.679 15.008 16.150 32 HH22 ARG 4 2HH2 ARG 4 -9.931 14.031 16.842 33 H LYS 5 H LYS 5 -5.752 14.196 7.084 34 HA LYS 5 HA LYS 5 -5.978 11.467 5.995 35 HB2 LYS 5 2HB LYS 5 -6.230 14.217 4.690 36 HB3 LYS 5 3HB LYS 5 -6.240 12.686 3.805 37 HG2 LYS 5 2HG LYS 5 -8.285 11.980 5.059 38 HG3 LYS 5 3HG LYS 5 -8.278 13.519 5.930 39 HD2 LYS 5 2HD LYS 5 -8.504 14.754 3.772 40 HD3 LYS 5 3HD LYS 5 -8.481 13.224 2.886 41 HE2 LYS 5 2HE LYS 5 -10.531 12.491 4.175 42 HE3 LYS 5 3HE LYS 5 -10.573 14.078 4.955 43 HZ1 LYS 5 3HZ LYS 5 -10.788 13.605 2.050 44 HZ2 LYS 5 1HZ LYS 5 -12.020 13.990 3.050 45 HZ3 LYS 5 2HZ LYS 5 -10.827 15.070 2.770 46 H ILE 6 H ILE 6 -4.333 10.684 4.538 47 HA ILE 6 HA ILE 6 -1.979 12.406 4.310 48 HB ILE 6 HB ILE 6 -0.527 10.392 4.674 49 HG12 ILE 6 2HG1 ILE 6 -3.107 9.094 5.673 50 HG13 ILE 6 3HG1 ILE 6 -2.321 8.714 4.135 51 HG21 ILE 6 1HG2 ILE 6 -0.761 10.337 7.136 52 HG22 ILE 6 2HG2 ILE 6 -0.907 12.005 6.489 53 HG23 ILE 6 3HG2 ILE 6 -2.377 11.108 6.996 54 HD11 ILE 6 3HD1 ILE 6 -1.093 8.341 6.904 55 HD12 ILE 6 1HD1 ILE 6 -1.761 7.050 5.849 56 HD13 ILE 6 2HD1 ILE 6 -0.295 7.955 5.342 57 H HIS 7 H HIS 7 -0.693 12.012 2.376 58 HA HIS 7 HA HIS 7 -2.135 10.462 0.347 59 HB2 HIS 7 2HB HIS 7 0.122 12.516 0.158 60 HB3 HIS 7 3HB HIS 7 -0.566 11.654 -1.224 61 HD2 HIS 7 HD2 HIS 7 -1.305 14.753 0.974 62 HE1 HIS 7 HE1 HIS 7 -4.666 14.188 -1.613 63 H VAL 8 H VAL 8 -1.141 8.748 -0.820 64 HA VAL 8 HA VAL 8 1.484 7.946 0.228 65 HB VAL 8 HB VAL 8 -0.925 6.187 -0.458 66 HG11 VAL 8 1HG1 VAL 8 0.523 4.284 0.181 67 HG12 VAL 8 2HG1 VAL 8 1.161 5.157 -1.254 68 HG13 VAL 8 3HG1 VAL 8 1.913 5.407 0.358 69 HG21 VAL 8 3HG2 VAL 8 -1.056 7.254 1.753 70 HG22 VAL 8 1HG2 VAL 8 -0.753 5.491 1.911 71 HG23 VAL 8 2HG2 VAL 8 0.591 6.658 2.152 72 H THR 9 H THR 9 3.039 7.610 -1.351 73 HA THR 9 HA THR 9 2.120 7.609 -4.113 74 HB THR 9 HB THR 9 4.918 7.811 -2.880 75 HG1 THR 9 HG1 THR 9 4.707 10.031 -3.660 76 HG21 THR 9 3HG2 THR 9 3.992 8.103 -5.780 77 HG22 THR 9 1HG2 THR 9 5.649 8.422 -5.167 78 HG23 THR 9 2HG2 THR 9 4.976 6.758 -5.111 79 H VAL 10 H VAL 10 1.795 5.656 -5.139 80 HA VAL 10 HA VAL 10 3.032 3.324 -3.885 81 HB VAL 10 HB VAL 10 0.713 3.559 -5.872 82 HG11 VAL 10 1HG1 VAL 10 0.317 1.172 -5.347 83 HG12 VAL 10 2HG1 VAL 10 1.925 1.432 -6.104 84 HG13 VAL 10 3HG1 VAL 10 1.799 1.154 -4.334 85 HG21 VAL 10 3HG2 VAL 10 0.159 4.474 -3.661 86 HG22 VAL 10 1HG2 VAL 10 -0.699 2.922 -3.943 87 HG23 VAL 10 2HG2 VAL 10 0.745 2.968 -2.877 88 H LYS 11 H LYS 11 4.814 2.421 -4.869 89 HA LYS 11 HA LYS 11 5.319 3.207 -7.651 90 HB2 LYS 11 2HB LYS 11 7.018 3.749 -5.903 91 HB3 LYS 11 3HB LYS 11 7.150 2.031 -5.504 92 HG2 LYS 11 2HG LYS 11 8.103 1.509 -7.669 93 HG3 LYS 11 3HG LYS 11 7.727 3.119 -8.297 94 HD2 LYS 11 2HD LYS 11 9.980 3.390 -7.758 95 HD3 LYS 11 3HD LYS 11 9.222 3.964 -6.267 96 HE2 LYS 11 2HE LYS 11 9.432 1.569 -5.360 97 HE3 LYS 11 3HE LYS 11 10.406 1.191 -6.787 98 HZ1 LYS 11 3HZ LYS 11 11.035 3.166 -4.695 99 HZ2 LYS 11 1HZ LYS 11 11.852 1.798 -5.048 100 HZ3 LYS 11 2HZ LYS 11 11.873 3.053 -6.092 101 H PHE 12 H PHE 12 5.010 1.732 -9.276 102 HA PHE 12 HA PHE 12 5.129 -1.114 -8.525 103 HB2 PHE 12 2HB PHE 12 3.985 0.241 -11.017 104 HB3 PHE 12 3HB PHE 12 3.944 -1.492 -10.665 105 HD1 PHE 12 HD1 PHE 12 2.540 1.809 -9.818 106 HD2 PHE 12 HD2 PHE 12 2.435 -2.400 -8.966 107 HE1 PHE 12 HE1 PHE 12 0.395 2.104 -8.615 108 HE2 PHE 12 HE2 PHE 12 0.291 -2.105 -7.766 109 HZ PHE 12 HZ PHE 12 -0.733 0.150 -7.588 110 HA PRO 13 HA PRO 13 8.828 -2.007 -10.602 111 HB2 PRO 13 2HB PRO 13 7.245 -3.770 -12.545 112 HB3 PRO 13 3HB PRO 13 8.682 -4.192 -11.605 113 HG2 PRO 13 2HG PRO 13 6.307 -5.072 -10.792 114 HG3 PRO 13 3HG PRO 13 7.452 -4.462 -9.590 115 HD2 PRO 13 2HD PRO 13 4.977 -3.122 -10.719 116 HD3 PRO 13 3HD PRO 13 5.629 -3.054 -9.076 117 H SER 14 H SER 14 6.140 -1.207 -12.870 118 HA SER 14 HA SER 14 8.239 -0.224 -14.704 119 HB2 SER 14 2HB SER 14 6.751 -0.863 -16.540 120 HB3 SER 14 3HB SER 14 7.160 -2.269 -15.548 121 HG SER 14 HG SER 14 4.908 -2.180 -16.071 122 H LYS 15 H LYS 15 5.726 0.684 -12.590 123 HA LYS 15 HA LYS 15 5.304 3.186 -13.993 124 HB2 LYS 15 2HB LYS 15 2.885 2.973 -14.060 125 HB3 LYS 15 3HB LYS 15 3.621 1.673 -15.006 126 HG2 LYS 15 2HG LYS 15 3.276 0.100 -13.083 127 HG3 LYS 15 3HG LYS 15 2.502 1.403 -12.171 128 HD2 LYS 15 2HD LYS 15 0.769 1.628 -13.968 129 HD3 LYS 15 3HD LYS 15 1.542 0.321 -14.875 130 HE2 LYS 15 2HE LYS 15 1.135 -1.255 -12.996 131 HE3 LYS 15 3HE LYS 15 0.420 0.047 -12.036 132 HZ1 LYS 15 3HZ LYS 15 -0.638 -1.098 -14.533 133 HZ2 LYS 15 1HZ LYS 15 -1.317 -1.139 -13.049 134 HZ3 LYS 15 2HZ LYS 15 -1.230 0.270 -13.869 135 H GLN 16 H GLN 16 3.938 4.718 -12.595 136 HA GLN 16 HA GLN 16 3.959 3.881 -9.772 137 HB2 GLN 16 2HB GLN 16 4.865 6.562 -10.935 138 HB3 GLN 16 3HB GLN 16 4.623 6.241 -9.213 139 HG2 GLN 16 2HG GLN 16 6.385 4.467 -9.312 140 HG3 GLN 16 3HG GLN 16 6.642 4.833 -11.023 141 HE21 GLN 16 1HE2 GLN 16 8.817 5.029 -9.514 142 HE22 GLN 16 2HE2 GLN 16 9.251 6.674 -9.189 143 H PHE 17 H PHE 17 2.345 5.024 -8.424 144 HA PHE 17 HA PHE 17 0.512 6.821 -9.723 145 HB2 PHE 17 2HB PHE 17 -0.285 4.570 -10.496 146 HB3 PHE 17 3HB PHE 17 -0.453 4.069 -8.808 147 HD1 PHE 17 HD1 PHE 17 -1.679 6.543 -11.329 148 HD2 PHE 17 HD2 PHE 17 -2.393 4.605 -7.562 149 HE1 PHE 17 HE1 PHE 17 -3.968 7.485 -11.278 150 HE2 PHE 17 HE2 PHE 17 -4.681 5.546 -7.512 151 HZ PHE 17 HZ PHE 17 -5.471 6.991 -9.369 152 H THR 18 H THR 18 -0.715 8.021 -8.189 153 HA THR 18 HA THR 18 0.167 7.516 -5.436 154 HB THR 18 HB THR 18 -0.312 9.937 -5.063 155 HG1 THR 18 HG1 THR 18 -0.720 11.246 -6.988 156 HG21 THR 18 3HG2 THR 18 1.518 9.374 -7.448 157 HG22 THR 18 1HG2 THR 18 1.568 10.834 -6.404 158 HG23 THR 18 2HG2 THR 18 1.959 9.222 -5.714 159 H VAL 19 H VAL 19 -1.391 7.731 -3.679 160 HA VAL 19 HA VAL 19 -4.179 7.827 -4.568 161 HB VAL 19 HB VAL 19 -4.715 5.975 -2.987 162 HG11 VAL 19 1HG1 VAL 19 -3.805 4.129 -4.362 163 HG12 VAL 19 2HG1 VAL 19 -4.390 5.491 -5.376 164 HG13 VAL 19 3HG1 VAL 19 -2.629 5.267 -5.103 165 HG21 VAL 19 3HG2 VAL 19 -2.800 6.224 -1.465 166 HG22 VAL 19 1HG2 VAL 19 -2.889 4.550 -2.112 167 HG23 VAL 19 2HG2 VAL 19 -1.680 5.704 -2.770 168 H GLU 20 H GLU 20 -5.717 8.237 -2.668 169 HA GLU 20 HA GLU 20 -4.313 9.716 -0.532 170 HB2 GLU 20 2HB GLU 20 -5.589 11.184 -2.057 171 HB3 GLU 20 3HB GLU 20 -7.042 10.206 -1.815 172 HG2 GLU 20 2HG GLU 20 -7.048 10.819 0.607 173 HG3 GLU 20 3HG GLU 20 -5.599 11.802 0.360 174 H VAL 21 H VAL 21 -4.655 9.017 1.553 175 HA VAL 21 HA VAL 21 -6.944 7.244 1.985 176 HB VAL 21 HB VAL 21 -5.485 5.718 3.311 177 HG11 VAL 21 1HG1 VAL 21 -4.359 4.628 1.393 178 HG12 VAL 21 2HG1 VAL 21 -6.017 5.175 0.973 179 HG13 VAL 21 3HG1 VAL 21 -4.593 6.117 0.416 180 HG21 VAL 21 3HG2 VAL 21 -3.699 7.311 3.873 181 HG22 VAL 21 1HG2 VAL 21 -3.026 5.858 3.062 182 HG23 VAL 21 2HG2 VAL 21 -3.210 7.392 2.147 183 H ASP 22 H ASP 22 -7.184 6.797 4.481 184 HA ASP 22 HA ASP 22 -6.866 9.371 5.818 185 HB2 ASP 22 2HB ASP 22 -9.047 8.006 5.713 186 HB3 ASP 22 3HB ASP 22 -8.271 6.851 6.805 187 H ARG 23 H ARG 23 -5.783 9.634 7.849 188 HA ARG 23 HA ARG 23 -3.431 8.096 8.031 189 HB2 ARG 23 2HB ARG 23 -3.538 10.456 8.626 190 HB3 ARG 23 3HB ARG 23 -4.624 10.090 9.973 191 HG2 ARG 23 2HG ARG 23 -2.878 8.789 11.091 192 HG3 ARG 23 3HG ARG 23 -1.794 8.988 9.708 193 HD2 ARG 23 2HD ARG 23 -1.681 11.374 10.079 194 HD3 ARG 23 3HD ARG 23 -2.874 11.263 11.380 195 HE ARG 23 HE ARG 23 -0.641 9.583 11.966 196 HH11 ARG 23 1HH1 ARG 23 -1.510 12.984 11.805 197 HH12 ARG 23 2HH1 ARG 23 -0.372 13.450 13.025 198 HH21 ARG 23 1HH2 ARG 23 0.820 10.196 13.517 199 HH22 ARG 23 2HH2 ARG 23 0.967 11.851 14.007 200 H THR 24 H THR 24 -6.637 7.831 9.601 201 HA THR 24 HA THR 24 -5.509 6.215 11.727 202 HB THR 24 HB THR 24 -7.791 6.251 12.656 203 HG1 THR 24 HG1 THR 24 -8.448 7.724 10.229 204 HG21 THR 24 3HG2 THR 24 -6.916 8.988 11.610 205 HG22 THR 24 1HG2 THR 24 -8.035 8.695 12.983 206 HG23 THR 24 2HG2 THR 24 -6.318 8.181 13.099 207 H GLU 25 H GLU 25 -6.559 5.683 8.522 208 HA GLU 25 HA GLU 25 -7.969 3.218 9.012 209 HB2 GLU 25 2HB GLU 25 -6.960 4.726 6.575 210 HB3 GLU 25 3HB GLU 25 -7.544 3.063 6.430 211 HG2 GLU 25 2HG GLU 25 -9.203 5.320 7.651 212 HG3 GLU 25 3HG GLU 25 -9.249 4.894 5.935 213 H THR 26 H THR 26 -7.208 1.088 8.157 214 HA THR 26 HA THR 26 -4.398 0.765 8.789 215 HB THR 26 HB THR 26 -4.929 -1.671 8.680 216 HG1 THR 26 HG1 THR 26 -7.232 -2.224 8.432 217 HG21 THR 26 3HG2 THR 26 -6.914 -0.022 10.321 218 HG22 THR 26 1HG2 THR 26 -6.466 -1.735 10.623 219 HG23 THR 26 2HG2 THR 26 -5.234 -0.440 10.797 220 H VAL 27 H VAL 27 -3.214 -1.017 7.343 221 HA VAL 27 HA VAL 27 -2.958 0.154 4.804 222 HB VAL 27 HB VAL 27 -1.455 -1.832 4.356 223 HG11 VAL 27 1HG1 VAL 27 0.223 -1.228 6.075 224 HG12 VAL 27 2HG1 VAL 27 -0.592 0.222 5.398 225 HG13 VAL 27 3HG1 VAL 27 -1.054 -0.392 7.021 226 HG21 VAL 27 3HG2 VAL 27 -2.678 -3.510 5.671 227 HG22 VAL 27 1HG2 VAL 27 -0.977 -3.376 6.231 228 HG23 VAL 27 2HG2 VAL 27 -2.299 -2.620 7.184 229 H SER 28 H SER 28 -5.113 -2.350 6.049 230 HA SER 28 HA SER 28 -5.523 -3.813 3.682 231 HB2 SER 28 2HB SER 28 -7.538 -4.571 4.772 232 HB3 SER 28 3HB SER 28 -6.256 -4.459 5.985 233 HG SER 28 HG SER 28 -7.127 -2.346 6.565 234 H SER 29 H SER 29 -6.742 -0.611 4.781 235 HA SER 29 HA SER 29 -8.634 -0.387 2.643 236 HB2 SER 29 2HB SER 29 -7.258 1.629 4.475 237 HB3 SER 29 3HB SER 29 -8.499 2.061 3.291 238 HG SER 29 HG SER 29 -9.111 1.542 5.630 239 H LEU 30 H LEU 30 -5.154 0.523 3.131 240 HA LEU 30 HA LEU 30 -4.912 2.010 0.757 241 HB2 LEU 30 2HB LEU 30 -3.282 2.106 2.581 242 HB3 LEU 30 3HB LEU 30 -2.917 0.385 2.404 243 HG LEU 30 HG LEU 30 -1.985 0.832 0.114 244 HD11 LEU 30 1HD1 LEU 30 -1.564 3.168 -0.559 245 HD12 LEU 30 2HD1 LEU 30 -3.322 2.830 -0.415 246 HD13 LEU 30 3HD1 LEU 30 -2.475 3.747 0.876 247 HD21 LEU 30 3HD2 LEU 30 -0.532 0.774 2.109 248 HD22 LEU 30 1HD2 LEU 30 0.057 1.978 0.914 249 HD23 LEU 30 2HD2 LEU 30 -0.824 2.525 2.380 250 H LYS 31 H LYS 31 -4.408 -1.534 1.458 251 HA LYS 31 HA LYS 31 -3.411 -2.065 -1.147 252 HB2 LYS 31 2HB LYS 31 -3.373 -4.316 -0.456 253 HB3 LYS 31 3HB LYS 31 -3.063 -3.396 1.022 254 HG2 LYS 31 2HG LYS 31 -5.485 -3.649 1.655 255 HG3 LYS 31 3HG LYS 31 -5.740 -4.630 0.206 256 HD2 LYS 31 2HD LYS 31 -4.018 -6.262 1.009 257 HD3 LYS 31 3HD LYS 31 -3.766 -5.282 2.459 258 HE2 LYS 31 2HE LYS 31 -6.167 -5.594 3.091 259 HE3 LYS 31 3HE LYS 31 -6.424 -6.569 1.638 260 HZ1 LYS 31 3HZ LYS 31 -4.718 -7.226 3.944 261 HZ2 LYS 31 1HZ LYS 31 -6.020 -8.042 3.393 262 HZ3 LYS 31 2HZ LYS 31 -4.631 -8.046 2.535 263 H ASP 32 H ASP 32 -6.701 -2.123 0.359 264 HA ASP 32 HA ASP 32 -8.025 -3.394 -1.751 265 HB2 ASP 32 2HB ASP 32 -8.969 -2.919 0.509 266 HB3 ASP 32 3HB ASP 32 -8.981 -1.190 0.137 267 H LYS 33 H LYS 33 -7.208 0.120 -1.207 268 HA LYS 33 HA LYS 33 -8.583 1.002 -3.518 269 HB2 LYS 33 2HB LYS 33 -6.368 2.157 -1.772 270 HB3 LYS 33 3HB LYS 33 -7.006 3.022 -3.177 271 HG2 LYS 33 2HG LYS 33 -9.268 3.037 -2.182 272 HG3 LYS 33 3HG LYS 33 -8.697 2.081 -0.808 273 HD2 LYS 33 2HD LYS 33 -7.147 3.892 -0.143 274 HD3 LYS 33 3HD LYS 33 -7.596 4.838 -1.569 275 HE2 LYS 33 2HE LYS 33 -9.877 5.116 -0.772 276 HE3 LYS 33 3HE LYS 33 -9.635 3.939 0.526 277 HZ1 LYS 33 3HZ LYS 33 -8.102 6.448 0.340 278 HZ2 LYS 33 1HZ LYS 33 -9.486 6.305 1.193 279 HZ3 LYS 33 2HZ LYS 33 -8.176 5.424 1.609 280 H ILE 34 H ILE 34 -5.128 0.021 -2.892 281 HA ILE 34 HA ILE 34 -4.204 0.552 -5.463 282 HB ILE 34 HB ILE 34 -3.427 -1.537 -3.373 283 HG12 ILE 34 2HG1 ILE 34 -1.981 0.981 -4.310 284 HG13 ILE 34 3HG1 ILE 34 -3.104 0.957 -2.944 285 HG21 ILE 34 1HG2 ILE 34 -1.361 -1.893 -4.683 286 HG22 ILE 34 2HG2 ILE 34 -2.825 -2.396 -5.593 287 HG23 ILE 34 3HG2 ILE 34 -2.012 -0.844 -5.987 288 HD11 ILE 34 3HD1 ILE 34 -0.542 -0.686 -3.175 289 HD12 ILE 34 1HD1 ILE 34 -0.777 0.790 -2.180 290 HD13 ILE 34 2HD1 ILE 34 -1.682 -0.711 -1.788 291 H HIS 35 H HIS 35 -6.012 -2.281 -4.102 292 HA HIS 35 HA HIS 35 -5.699 -3.909 -6.390 293 HB2 HIS 35 2HB HIS 35 -6.324 -4.923 -4.306 294 HB3 HIS 35 3HB HIS 35 -7.683 -3.814 -4.078 295 HD2 HIS 35 HD2 HIS 35 -10.080 -4.851 -4.906 296 HE1 HIS 35 HE1 HIS 35 -8.536 -7.941 -7.434 297 H ILE 36 H ILE 36 -8.161 -1.421 -5.417 298 HA ILE 36 HA ILE 36 -9.928 -1.952 -7.518 299 HB ILE 36 HB ILE 36 -9.331 0.557 -5.880 300 HG12 ILE 36 2HG1 ILE 36 -11.753 -1.298 -5.860 301 HG13 ILE 36 3HG1 ILE 36 -10.344 -1.545 -4.821 302 HG21 ILE 36 1HG2 ILE 36 -11.437 1.487 -6.774 303 HG22 ILE 36 2HG2 ILE 36 -10.211 1.246 -8.065 304 HG23 ILE 36 3HG2 ILE 36 -11.575 0.089 -7.894 305 HD11 ILE 36 3HD1 ILE 36 -12.125 0.934 -4.851 306 HD12 ILE 36 1HD1 ILE 36 -12.135 -0.373 -3.619 307 HD13 ILE 36 2HD1 ILE 36 -10.693 0.684 -3.796 308 H VAL 37 H VAL 37 -6.999 0.185 -7.270 309 HA VAL 37 HA VAL 37 -7.409 1.377 -9.804 310 HB VAL 37 HB VAL 37 -4.957 1.074 -8.004 311 HG11 VAL 37 1HG1 VAL 37 -3.885 2.792 -9.427 312 HG12 VAL 37 2HG1 VAL 37 -4.224 1.283 -10.341 313 HG13 VAL 37 3HG1 VAL 37 -5.279 2.720 -10.557 314 HG21 VAL 37 3HG2 VAL 37 -6.766 2.479 -7.107 315 HG22 VAL 37 1HG2 VAL 37 -5.348 3.481 -7.567 316 HG23 VAL 37 2HG2 VAL 37 -6.797 3.434 -8.628 317 H GLU 38 H GLU 38 -5.650 -1.565 -8.636 318 HA GLU 38 HA GLU 38 -4.545 -1.945 -11.319 319 HB2 GLU 38 2HB GLU 38 -4.117 -3.406 -8.667 320 HB3 GLU 38 3HB GLU 38 -3.320 -3.828 -10.188 321 HG2 GLU 38 2HG GLU 38 -3.021 -1.208 -8.642 322 HG3 GLU 38 3HG GLU 38 -1.819 -2.497 -8.780 323 H ASN 39 H ASN 39 -4.428 -4.619 -11.712 324 HA ASN 39 HA ASN 39 -7.191 -5.567 -11.325 325 HB2 ASN 39 2HB ASN 39 -5.281 -6.083 -13.636 326 HB3 ASN 39 3HB ASN 39 -6.827 -6.908 -13.399 327 HD21 ASN 39 1HD2 ASN 39 -5.275 -4.346 -14.838 328 HD22 ASN 39 2HD2 ASN 39 -6.669 -3.444 -15.331 329 H THR 40 H THR 40 -4.537 -5.856 -9.684 330 HA THR 40 HA THR 40 -4.163 -8.737 -10.001 331 HB THR 40 HB THR 40 -2.557 -6.635 -8.453 332 HG1 THR 40 HG1 THR 40 -1.200 -7.998 -10.413 333 HG21 THR 40 3HG2 THR 40 -2.018 -9.607 -8.930 334 HG22 THR 40 1HG2 THR 40 -0.896 -8.446 -8.143 335 HG23 THR 40 2HG2 THR 40 -2.464 -8.848 -7.365 336 HA PRO 41 HA PRO 41 -6.802 -9.451 -6.476 337 HB2 PRO 41 2HB PRO 41 -5.019 -11.927 -6.291 338 HB3 PRO 41 3HB PRO 41 -6.786 -11.845 -6.296 339 HG2 PRO 41 2HG PRO 41 -5.519 -12.649 -8.496 340 HG3 PRO 41 3HG PRO 41 -6.902 -11.557 -8.649 341 HD2 PRO 41 2HD PRO 41 -3.939 -10.921 -8.863 342 HD3 PRO 41 3HD PRO 41 -5.285 -10.279 -9.813 343 H ILE 42 H ILE 42 -6.793 -9.070 -4.324 344 HA ILE 42 HA ILE 42 -4.509 -7.901 -3.247 345 HB ILE 42 HB ILE 42 -7.064 -9.012 -1.994 346 HG12 ILE 42 2HG1 ILE 42 -6.086 -6.146 -2.392 347 HG13 ILE 42 3HG1 ILE 42 -7.137 -6.996 -3.533 348 HG21 ILE 42 1HG2 ILE 42 -6.431 -7.808 0.071 349 HG22 ILE 42 2HG2 ILE 42 -5.274 -9.126 -0.316 350 HG23 ILE 42 3HG2 ILE 42 -4.834 -7.418 -0.651 351 HD11 ILE 42 3HD1 ILE 42 -7.790 -6.402 -0.611 352 HD12 ILE 42 1HD1 ILE 42 -8.439 -5.540 -2.046 353 HD13 ILE 42 2HD1 ILE 42 -8.857 -7.265 -1.769 354 H LYS 43 H LYS 43 -5.792 -11.283 -3.040 355 HA LYS 43 HA LYS 43 -4.175 -12.044 -0.853 356 HB2 LYS 43 2HB LYS 43 -5.585 -13.599 -3.069 357 HB3 LYS 43 3HB LYS 43 -4.726 -14.381 -1.735 358 HG2 LYS 43 2HG LYS 43 -6.242 -13.255 -0.100 359 HG3 LYS 43 3HG LYS 43 -7.103 -12.479 -1.436 360 HD2 LYS 43 2HD LYS 43 -7.713 -14.717 -2.357 361 HD3 LYS 43 3HD LYS 43 -6.830 -15.506 -1.044 362 HE2 LYS 43 2HE LYS 43 -8.337 -14.426 0.629 363 HE3 LYS 43 3HE LYS 43 -9.211 -13.613 -0.675 364 HZ1 LYS 43 3HZ LYS 43 -9.016 -16.537 -0.324 365 HZ2 LYS 43 1HZ LYS 43 -10.321 -15.618 0.018 366 HZ3 LYS 43 2HZ LYS 43 -9.823 -15.786 -1.528 367 H ARG 44 H ARG 44 -3.458 -11.529 -4.266 368 HA ARG 44 HA ARG 44 -1.083 -13.232 -4.033 369 HB2 ARG 44 2HB ARG 44 -2.413 -12.004 -6.461 370 HB3 ARG 44 3HB ARG 44 -0.897 -12.914 -6.484 371 HG2 ARG 44 2HG ARG 44 -2.037 -14.926 -5.680 372 HG3 ARG 44 3HG ARG 44 -3.552 -14.035 -5.489 373 HD2 ARG 44 2HD ARG 44 -3.564 -13.597 -7.927 374 HD3 ARG 44 3HD ARG 44 -2.095 -14.570 -8.085 375 HE ARG 44 HE ARG 44 -4.083 -16.124 -6.785 376 HH11 ARG 44 1HH1 ARG 44 -3.446 -14.712 -9.940 377 HH12 ARG 44 2HH1 ARG 44 -4.299 -15.954 -10.794 378 HH21 ARG 44 1HH2 ARG 44 -5.182 -17.700 -7.890 379 HH22 ARG 44 2HH2 ARG 44 -5.298 -17.670 -9.618 380 H MET 45 H MET 45 -2.183 -9.835 -4.447 381 HA MET 45 HA MET 45 0.380 -8.838 -5.181 382 HB2 MET 45 2HB MET 45 -1.808 -7.717 -5.643 383 HB3 MET 45 3HB MET 45 -2.036 -7.466 -3.907 384 HG2 MET 45 2HG MET 45 0.468 -6.411 -5.246 385 HG3 MET 45 3HG MET 45 -1.061 -5.546 -5.451 386 HE1 MET 45 3HE MET 45 -2.581 -5.542 -2.491 387 HE2 MET 45 1HE MET 45 -1.851 -3.929 -2.189 388 HE3 MET 45 2HE MET 45 -2.331 -4.400 -3.854 389 H GLN 46 H GLN 46 2.103 -8.152 -3.930 390 HA GLN 46 HA GLN 46 1.739 -8.403 -1.018 391 HB2 GLN 46 2HB GLN 46 4.344 -8.301 -2.607 392 HB3 GLN 46 3HB GLN 46 4.135 -8.745 -0.908 393 HG2 GLN 46 2HG GLN 46 3.063 -10.326 -3.292 394 HG3 GLN 46 3HG GLN 46 4.532 -10.708 -2.386 395 HE21 GLN 46 1HE2 GLN 46 1.435 -11.638 -2.764 396 HE22 GLN 46 2HE2 GLN 46 1.075 -12.244 -1.182 397 H LEU 47 H LEU 47 2.370 -6.677 0.377 398 HA LEU 47 HA LEU 47 2.649 -4.116 -1.075 399 HB2 LEU 47 2HB LEU 47 0.336 -4.610 -0.184 400 HB3 LEU 47 3HB LEU 47 1.022 -4.713 1.443 401 HG LEU 47 HG LEU 47 1.809 -2.308 1.200 402 HD11 LEU 47 1HD1 LEU 47 0.788 -0.954 -0.593 403 HD12 LEU 47 2HD1 LEU 47 1.862 -2.229 -1.261 404 HD13 LEU 47 3HD1 LEU 47 0.079 -2.439 -1.313 405 HD21 LEU 47 3HD2 LEU 47 -0.260 -2.923 2.400 406 HD22 LEU 47 1HD2 LEU 47 -0.453 -1.361 1.535 407 HD23 LEU 47 2HD2 LEU 47 -1.180 -2.858 0.859 408 H TYR 48 H TYR 48 4.459 -2.972 -0.514 409 HA TYR 48 HA TYR 48 5.738 -3.744 2.032 410 HB2 TYR 48 2HB TYR 48 6.873 -4.792 0.106 411 HB3 TYR 48 3HB TYR 48 6.997 -3.226 -0.706 412 HD1 TYR 48 HD1 TYR 48 8.088 -5.075 2.372 413 HD2 TYR 48 HD2 TYR 48 8.841 -1.801 -0.299 414 HE1 TYR 48 HE1 TYR 48 10.260 -4.672 3.486 415 HE2 TYR 48 HE2 TYR 48 11.017 -1.394 0.809 416 HH TYR 48 HH TYR 48 11.993 -3.272 3.701 417 H TYR 49 H TYR 49 6.502 -2.065 3.316 418 HA TYR 49 HA TYR 49 6.257 0.635 2.155 419 HB2 TYR 49 2HB TYR 49 4.748 0.312 4.025 420 HB3 TYR 49 3HB TYR 49 6.020 -0.425 5.008 421 HD1 TYR 49 HD1 TYR 49 6.658 2.564 2.904 422 HD2 TYR 49 HD2 TYR 49 5.755 1.136 6.850 423 HE1 TYR 49 HE1 TYR 49 7.225 4.785 3.832 424 HE2 TYR 49 HE2 TYR 49 6.321 3.356 7.785 425 HH TYR 49 HH TYR 49 6.484 5.652 7.120 426 H SER 50 H SER 50 8.165 1.650 1.698 427 HA SER 50 HA SER 50 10.602 0.818 1.686 428 HB2 SER 50 2HB SER 50 9.955 3.140 1.188 429 HB3 SER 50 3HB SER 50 9.779 3.488 2.913 430 HG SER 50 HG SER 50 11.820 4.183 2.073 431 H GLY 51 H GLY 51 11.423 -0.759 3.083 432 HA2 GLY 51 2HA GLY 51 12.959 -0.834 4.938 433 HA3 GLY 51 3HA GLY 51 11.842 0.184 5.857 434 H ILE 52 H ILE 52 9.419 -0.866 5.909 435 HA ILE 52 HA ILE 52 9.869 -3.675 6.654 436 HB ILE 52 HB ILE 52 8.012 -3.332 8.305 437 HG12 ILE 52 2HG1 ILE 52 8.322 -0.382 7.580 438 HG13 ILE 52 3HG1 ILE 52 6.965 -1.403 7.086 439 HG21 ILE 52 1HG2 ILE 52 9.336 -2.014 9.927 440 HG22 ILE 52 2HG2 ILE 52 10.360 -3.173 9.012 441 HG23 ILE 52 3HG2 ILE 52 10.382 -1.427 8.590 442 HD11 ILE 52 3HD1 ILE 52 7.746 -0.745 9.962 443 HD12 ILE 52 1HD1 ILE 52 6.379 -0.037 9.038 444 HD13 ILE 52 2HD1 ILE 52 6.368 -1.782 9.460 445 H GLU 53 H GLU 53 8.152 -5.208 6.182 446 HA GLU 53 HA GLU 53 6.501 -4.429 3.937 447 HB2 GLU 53 2HB GLU 53 7.687 -6.615 4.029 448 HB3 GLU 53 3HB GLU 53 6.780 -7.052 5.483 449 HG2 GLU 53 2HG GLU 53 4.654 -6.972 4.194 450 HG3 GLU 53 3HG GLU 53 5.543 -6.502 2.740 451 H LEU 54 H LEU 54 4.206 -4.343 3.897 452 HA LEU 54 HA LEU 54 3.092 -3.687 6.510 453 HB2 LEU 54 2HB LEU 54 1.982 -3.429 3.670 454 HB3 LEU 54 3HB LEU 54 1.206 -2.814 5.135 455 HG LEU 54 HG LEU 54 3.892 -1.874 3.999 456 HD11 LEU 54 1HD1 LEU 54 2.667 0.224 3.566 457 HD12 LEU 54 2HD1 LEU 54 1.941 -1.158 2.678 458 HD13 LEU 54 3HD1 LEU 54 1.154 -0.533 4.167 459 HD21 LEU 54 3HD2 LEU 54 3.840 -1.812 6.467 460 HD22 LEU 54 1HD2 LEU 54 3.767 -0.156 5.775 461 HD23 LEU 54 2HD2 LEU 54 2.277 -0.928 6.417 462 H ALA 55 H ALA 55 3.184 -6.104 7.169 463 HA ALA 55 HA ALA 55 1.609 -7.854 5.464 464 HB1 ALA 55 3HB ALA 55 3.308 -8.354 7.958 465 HB2 ALA 55 1HB ALA 55 2.547 -9.621 6.937 466 HB3 ALA 55 2HB ALA 55 3.832 -8.569 6.253 467 H ASP 56 H ASP 56 1.169 -5.968 8.391 468 HA ASP 56 HA ASP 56 -0.795 -7.875 9.429 469 HB2 ASP 56 2HB ASP 56 0.951 -6.963 10.947 470 HB3 ASP 56 3HB ASP 56 0.411 -5.317 10.593 471 H ASP 57 H ASP 57 -2.888 -7.647 8.745 472 HA ASP 57 HA ASP 57 -3.667 -5.409 7.219 473 HB2 ASP 57 2HB ASP 57 -5.148 -7.745 8.494 474 HB3 ASP 57 3HB ASP 57 -5.995 -6.492 7.578 475 H TYR 58 H TYR 58 -3.823 -6.115 10.722 476 HA TYR 58 HA TYR 58 -5.997 -4.194 11.057 477 HB2 TYR 58 2HB TYR 58 -4.586 -6.117 12.970 478 HB3 TYR 58 3HB TYR 58 -5.897 -5.027 13.439 479 HD1 TYR 58 HD1 TYR 58 -8.193 -5.342 12.433 480 HD2 TYR 58 HD2 TYR 58 -5.032 -8.182 11.834 481 HE1 TYR 58 HE1 TYR 58 -9.856 -7.042 11.750 482 HE2 TYR 58 HE2 TYR 58 -6.689 -9.888 11.144 483 HH TYR 58 HH TYR 58 -10.207 -9.113 11.069 484 H ARG 59 H ARG 59 -2.583 -4.126 10.918 485 HA ARG 59 HA ARG 59 -2.267 -2.167 13.017 486 HB2 ARG 59 2HB ARG 59 -0.492 -3.778 12.506 487 HB3 ARG 59 3HB ARG 59 -0.344 -3.112 10.874 488 HG2 ARG 59 2HG ARG 59 0.420 -0.978 11.732 489 HG3 ARG 59 3HG ARG 59 0.066 -1.458 13.397 490 HD2 ARG 59 2HD ARG 59 1.804 -3.107 13.369 491 HD3 ARG 59 3HD ARG 59 2.075 -2.869 11.637 492 HE ARG 59 HE ARG 59 2.472 -0.396 12.980 493 HH11 ARG 59 1HH1 ARG 59 3.974 -3.564 12.710 494 HH12 ARG 59 2HH1 ARG 59 5.572 -2.955 12.985 495 HH21 ARG 59 1HH2 ARG 59 4.526 0.365 13.340 496 HH22 ARG 59 2HH2 ARG 59 5.890 -0.702 13.347 497 H ASN 60 H ASN 60 -2.121 0.084 12.783 498 HA ASN 60 HA ASN 60 -3.603 0.977 10.485 499 HB2 ASN 60 2HB ASN 60 -2.586 2.359 12.992 500 HB3 ASN 60 3HB ASN 60 -3.474 3.193 11.710 501 HD21 ASN 60 1HD2 ASN 60 -3.782 1.840 14.634 502 HD22 ASN 60 2HD2 ASN 60 -5.475 1.474 14.611 503 H LEU 61 H LEU 61 -2.955 2.835 9.117 504 HA LEU 61 HA LEU 61 -0.373 2.677 8.100 505 HB2 LEU 61 2HB LEU 61 -2.427 4.944 8.066 506 HB3 LEU 61 3HB LEU 61 -0.961 4.920 7.077 507 HG LEU 61 HG LEU 61 -3.121 2.754 6.927 508 HD11 LEU 61 1HD1 LEU 61 -3.866 3.895 4.873 509 HD12 LEU 61 2HD1 LEU 61 -4.063 4.944 6.317 510 HD13 LEU 61 3HD1 LEU 61 -2.698 5.224 5.183 511 HD21 LEU 61 3HD2 LEU 61 -0.867 2.091 6.168 512 HD22 LEU 61 1HD2 LEU 61 -2.000 2.239 4.783 513 HD23 LEU 61 2HD2 LEU 61 -0.797 3.533 5.100 514 H ASN 62 H ASN 62 -1.749 4.922 10.617 515 HA ASN 62 HA ASN 62 0.580 6.450 10.900 516 HB2 ASN 62 2HB ASN 62 -1.627 7.110 11.758 517 HB3 ASN 62 3HB ASN 62 -1.596 5.773 12.916 518 HD21 ASN 62 1HD2 ASN 62 -0.982 6.256 14.869 519 HD22 ASN 62 2HD2 ASN 62 0.104 7.522 15.334 520 H GLU 63 H GLU 63 -0.459 3.308 12.378 521 HA GLU 63 HA GLU 63 1.567 3.286 14.349 522 HB2 GLU 63 2HB GLU 63 -0.178 1.157 13.043 523 HB3 GLU 63 3HB GLU 63 1.028 0.751 14.271 524 HG2 GLU 63 2HG GLU 63 -0.101 2.182 15.923 525 HG3 GLU 63 3HG GLU 63 -1.245 2.751 14.702 526 H TYR 64 H TYR 64 1.490 2.367 10.883 527 HA TYR 64 HA TYR 64 3.954 0.916 11.004 528 HB2 TYR 64 2HB TYR 64 2.159 2.047 8.834 529 HB3 TYR 64 3HB TYR 64 3.785 1.485 8.424 530 HD1 TYR 64 HD1 TYR 64 4.392 -0.944 9.372 531 HD2 TYR 64 HD2 TYR 64 0.400 0.513 8.760 532 HE1 TYR 64 HE1 TYR 64 3.561 -3.274 9.254 533 HE2 TYR 64 HE2 TYR 64 -0.437 -1.813 8.646 534 HH TYR 64 HH TYR 64 0.053 -3.966 8.902 535 H GLY 65 H GLY 65 3.111 4.321 11.087 536 HA2 GLY 65 2HA GLY 65 4.569 6.086 11.200 537 HA3 GLY 65 3HA GLY 65 5.896 5.046 10.667 538 H ILE 66 H ILE 66 2.794 5.090 8.866 539 HA ILE 66 HA ILE 66 4.287 5.939 6.551 540 HB ILE 66 HB ILE 66 1.411 5.005 6.998 541 HG12 ILE 66 2HG1 ILE 66 3.707 3.741 5.436 542 HG13 ILE 66 3HG1 ILE 66 3.341 3.357 7.123 543 HG21 ILE 66 1HG2 ILE 66 1.171 5.018 4.536 544 HG22 ILE 66 2HG2 ILE 66 1.434 6.670 5.191 545 HG23 ILE 66 3HG2 ILE 66 2.782 5.798 4.388 546 HD11 ILE 66 3HD1 ILE 66 1.455 2.967 4.757 547 HD12 ILE 66 1HD1 ILE 66 2.381 1.685 5.608 548 HD13 ILE 66 2HD1 ILE 66 1.083 2.578 6.471 549 H THR 67 H THR 67 4.254 8.001 5.647 550 HA THR 67 HA THR 67 2.519 9.902 7.064 551 HB THR 67 HB THR 67 4.279 11.567 6.768 552 HG1 THR 67 HG1 THR 67 6.323 10.900 5.785 553 HG21 THR 67 3HG2 THR 67 5.430 8.924 7.790 554 HG22 THR 67 1HG2 THR 67 6.078 10.560 8.146 555 HG23 THR 67 2HG2 THR 67 4.449 10.091 8.740 556 H GLU 68 H GLU 68 3.029 12.183 5.432 557 HA GLU 68 HA GLU 68 1.281 11.547 3.242 558 HB2 GLU 68 2HB GLU 68 2.677 14.110 4.150 559 HB3 GLU 68 3HB GLU 68 1.551 14.027 2.789 560 HG2 GLU 68 2HG GLU 68 -0.268 13.299 4.299 561 HG3 GLU 68 3HG GLU 68 0.848 13.281 5.671 562 H PHE 69 H PHE 69 4.706 11.429 3.688 563 HA PHE 69 HA PHE 69 5.126 11.896 0.805 564 HB2 PHE 69 2HB PHE 69 7.076 11.986 3.159 565 HB3 PHE 69 3HB PHE 69 7.523 12.191 1.460 566 HD1 PHE 69 HD1 PHE 69 6.499 14.149 0.161 567 HD2 PHE 69 HD2 PHE 69 6.295 13.811 4.439 568 HE1 PHE 69 HE1 PHE 69 6.037 16.576 0.332 569 HE2 PHE 69 HE2 PHE 69 5.828 16.237 4.608 570 HZ PHE 69 HZ PHE 69 5.695 17.621 2.555 571 H SER 70 H SER 70 4.221 9.366 2.552 572 HA SER 70 HA SER 70 6.449 7.638 2.628 573 HB2 SER 70 2HB SER 70 4.498 7.323 4.047 574 HB3 SER 70 3HB SER 70 3.435 7.176 2.642 575 HG SER 70 HG SER 70 5.454 5.365 3.576 576 H GLU 71 H GLU 71 7.364 6.287 1.099 577 HA GLU 71 HA GLU 71 5.890 5.967 -1.426 578 HB2 GLU 71 2HB GLU 71 8.253 6.767 -1.515 579 HB3 GLU 71 3HB GLU 71 8.776 5.306 -0.666 580 HG2 GLU 71 2HG GLU 71 8.002 3.901 -2.549 581 HG3 GLU 71 3HG GLU 71 7.386 5.330 -3.390 582 H ILE 72 H ILE 72 4.776 4.091 -1.792 583 HA ILE 72 HA ILE 72 5.475 1.821 -0.061 584 HB ILE 72 HB ILE 72 2.787 2.590 -1.310 585 HG12 ILE 72 2HG1 ILE 72 3.430 4.003 0.605 586 HG13 ILE 72 3HG1 ILE 72 2.050 2.965 0.988 587 HG21 ILE 72 1HG2 ILE 72 1.887 0.674 -0.031 588 HG22 ILE 72 2HG2 ILE 72 3.098 0.153 -1.250 589 HG23 ILE 72 3HG2 ILE 72 3.551 0.241 0.486 590 HD11 ILE 72 3HD1 ILE 72 4.947 2.454 1.803 591 HD12 ILE 72 1HD1 ILE 72 3.631 3.063 2.862 592 HD13 ILE 72 2HD1 ILE 72 3.546 1.399 2.192 593 H VAL 73 H VAL 73 6.142 -0.064 -1.078 594 HA VAL 73 HA VAL 73 6.139 0.065 -3.998 595 HB VAL 73 HB VAL 73 7.777 -1.644 -2.054 596 HG11 VAL 73 1HG1 VAL 73 9.135 -2.205 -4.046 597 HG12 VAL 73 2HG1 VAL 73 7.436 -2.761 -4.217 598 HG13 VAL 73 3HG1 VAL 73 7.989 -1.286 -5.080 599 HG21 VAL 73 3HG2 VAL 73 8.348 0.744 -1.929 600 HG22 VAL 73 1HG2 VAL 73 9.660 -0.186 -2.729 601 HG23 VAL 73 2HG2 VAL 73 8.533 0.806 -3.714 602 H VAL 74 H VAL 74 4.997 -1.422 -5.239 603 HA VAL 74 HA VAL 74 3.626 -3.525 -3.718 604 HB VAL 74 HB VAL 74 2.910 -2.119 -6.340 605 HG11 VAL 74 1HG1 VAL 74 0.838 -3.471 -6.288 606 HG12 VAL 74 2HG1 VAL 74 2.303 -4.498 -6.447 607 HG13 VAL 74 3HG1 VAL 74 1.465 -4.368 -4.864 608 HG21 VAL 74 3HG2 VAL 74 2.478 -0.781 -4.326 609 HG22 VAL 74 1HG2 VAL 74 0.939 -1.333 -5.068 610 HG23 VAL 74 2HG2 VAL 74 1.569 -2.148 -3.597 611 H PHE 75 H PHE 75 4.089 -5.662 -4.183 612 HA PHE 75 HA PHE 75 5.606 -6.161 -6.664 613 HB2 PHE 75 2HB PHE 75 5.512 -7.700 -4.024 614 HB3 PHE 75 3HB PHE 75 6.391 -8.219 -5.468 615 HD1 PHE 75 HD1 PHE 75 8.372 -6.937 -6.261 616 HD2 PHE 75 HD2 PHE 75 6.360 -5.951 -2.595 617 HE1 PHE 75 HE1 PHE 75 10.335 -5.613 -5.539 618 HE2 PHE 75 HE2 PHE 75 8.323 -4.625 -1.876 619 HZ PHE 75 HZ PHE 75 10.315 -4.458 -3.345 620 H LEU 76 H LEU 76 4.827 -7.679 -8.146 621 HA LEU 76 HA LEU 76 2.065 -8.524 -7.589 622 HB2 LEU 76 2HB LEU 76 3.585 -8.245 -10.227 623 HB3 LEU 76 3HB LEU 76 1.872 -8.646 -10.047 624 HG LEU 76 HG LEU 76 3.176 -5.992 -9.240 625 HD11 LEU 76 1HD1 LEU 76 1.871 -5.078 -11.125 626 HD12 LEU 76 2HD1 LEU 76 3.043 -6.322 -11.677 627 HD13 LEU 76 3HD1 LEU 76 1.299 -6.731 -11.534 628 HD21 LEU 76 3HD2 LEU 76 1.293 -6.615 -7.773 629 HD22 LEU 76 1HD2 LEU 76 0.848 -5.252 -8.855 630 HD23 LEU 76 2HD2 LEU 76 0.261 -6.911 -9.213 631 H LYS 77 H LYS 77 1.603 -10.664 -7.295 632 HA LYS 77 HA LYS 77 3.430 -12.596 -8.563 633 HB2 LYS 77 2HB LYS 77 2.169 -12.738 -5.783 634 HB3 LYS 77 3HB LYS 77 2.989 -14.085 -6.583 635 HG2 LYS 77 2HG LYS 77 5.097 -12.713 -6.665 636 HG3 LYS 77 3HG LYS 77 4.265 -11.419 -5.792 637 HD2 LYS 77 2HD LYS 77 3.799 -13.025 -3.905 638 HD3 LYS 77 3HD LYS 77 4.693 -14.279 -4.773 639 HE2 LYS 77 2HE LYS 77 6.739 -12.827 -4.750 640 HE3 LYS 77 3HE LYS 77 5.842 -11.589 -3.861 641 HZ1 LYS 77 3HZ LYS 77 6.360 -14.331 -2.902 642 HZ2 LYS 77 1HZ LYS 77 7.122 -12.980 -2.392 643 HZ3 LYS 77 2HZ LYS 77 5.532 -13.188 -2.081 644 H SER 78 H SER 78 1.384 -11.928 -10.131 645 HA SER 78 HA SER 78 -0.351 -14.263 -9.902 646 HB2 SER 78 2HB SER 78 -1.584 -12.427 -8.774 647 HB3 SER 78 3HB SER 78 -1.380 -11.404 -10.202 648 HG SER 78 HG SER 78 -2.833 -12.559 -11.308 649 H ILE 79 H ILE 79 -0.960 -15.100 -11.928 650 HA ILE 79 HA ILE 79 0.197 -13.700 -14.213 651 HB ILE 79 HB ILE 79 -0.914 -16.530 -13.860 652 HG12 ILE 79 2HG1 ILE 79 1.922 -15.563 -14.448 653 HG13 ILE 79 3HG1 ILE 79 1.330 -15.954 -12.829 654 HG21 ILE 79 1HG2 ILE 79 -0.106 -16.946 -16.159 655 HG22 ILE 79 2HG2 ILE 79 -1.402 -15.702 -16.120 656 HG23 ILE 79 3HG2 ILE 79 0.312 -15.207 -16.323 657 HD11 ILE 79 3HD1 ILE 79 1.465 -17.881 -15.191 658 HD12 ILE 79 1HD1 ILE 79 2.586 -17.831 -13.789 659 HD13 ILE 79 2HD1 ILE 79 0.864 -18.279 -13.546 660 H ASN 80 H ASN 80 -2.919 -15.428 -13.311 661 HA ASN 80 HA ASN 80 -4.409 -14.179 -15.356 662 HB2 ASN 80 2HB ASN 80 -5.165 -15.499 -12.730 663 HB3 ASN 80 3HB ASN 80 -6.362 -14.834 -13.850 664 HD21 ASN 80 1HD2 ASN 80 -6.307 -17.484 -13.095 665 HD22 ASN 80 2HD2 ASN 80 -6.004 -18.438 -14.509 666 H ARG 81 H ARG 81 -6.383 -12.697 -14.797 667 HA ARG 81 HA ARG 81 -5.447 -10.645 -12.901 668 HB2 ARG 81 2HB ARG 81 -6.806 -10.300 -15.581 669 HB3 ARG 81 3HB ARG 81 -6.661 -9.016 -14.374 670 HG2 ARG 81 2HG ARG 81 -4.210 -9.141 -14.480 671 HG3 ARG 81 3HG ARG 81 -4.300 -10.506 -15.601 672 HD2 ARG 81 2HD ARG 81 -5.334 -7.711 -16.131 673 HD3 ARG 81 3HD ARG 81 -3.789 -8.364 -16.690 674 HE ARG 81 HE ARG 81 -5.756 -10.112 -17.631 675 HH11 ARG 81 1HH1 ARG 81 -4.993 -6.702 -18.013 676 HH12 ARG 81 2HH1 ARG 81 -5.612 -6.627 -19.629 677 HH21 ARG 81 1HH2 ARG 81 -6.557 -9.996 -19.698 678 HH22 ARG 81 2HH2 ARG 81 -6.511 -8.516 -20.596 679 H ALA 82 H ALA 82 -7.271 -9.239 -12.012 680 HA ALA 82 HA ALA 82 -9.637 -10.943 -11.575 681 HB1 ALA 82 3HB ALA 82 -8.416 -8.699 -9.893 682 HB2 ALA 82 1HB ALA 82 -9.904 -9.621 -9.489 683 HB3 ALA 82 2HB ALA 82 -8.317 -10.459 -9.552 684 H LYS 83 H LYS 83 -11.755 -10.011 -11.675 685 HA LYS 83 HA LYS 83 -12.220 -8.203 -13.690 686 HB2 LYS 83 2HB LYS 83 -13.900 -9.730 -12.705 687 HB3 LYS 83 3HB LYS 83 -13.882 -8.806 -11.197 688 HG2 LYS 83 2HG LYS 83 -14.768 -6.813 -12.394 689 HG3 LYS 83 3HG LYS 83 -14.755 -7.710 -13.918 690 HD2 LYS 83 2HD LYS 83 -16.360 -9.368 -12.973 691 HD3 LYS 83 3HD LYS 83 -16.350 -8.513 -11.425 692 HE2 LYS 83 2HE LYS 83 -17.227 -6.458 -12.562 693 HE3 LYS 83 3HE LYS 83 -17.249 -7.325 -14.103 694 HZ1 LYS 83 3HZ LYS 83 -18.802 -8.074 -11.708 695 HZ2 LYS 83 1HZ LYS 83 -19.396 -7.347 -13.045 696 HZ3 LYS 83 2HZ LYS 83 -18.823 -8.874 -13.131 697 H ASP 84 H ASP 84 -12.169 -7.519 -10.090 698 HA ASP 84 HA ASP 84 -12.474 -4.719 -10.500 699 HB2 ASP 84 2HB ASP 84 -11.620 -6.469 -8.153 700 HB3 ASP 84 3HB ASP 84 -11.661 -4.704 -8.045 Start of MODEL 16 1 H ALA 1 1H ALA 1 -10.441 21.758 2.543 2 HA ALA 1 HA ALA 1 -8.468 21.372 3.789 3 HB1 ALA 1 3HB ALA 1 -11.078 20.773 5.264 4 HB2 ALA 1 1HB ALA 1 -9.543 21.311 6.026 5 HB3 ALA 1 2HB ALA 1 -10.413 22.400 4.893 6 H ALA 2 H ALA 2 -6.947 19.867 4.348 7 HA ALA 2 HA ALA 2 -7.795 17.071 4.387 8 HB1 ALA 2 3HB ALA 2 -5.045 18.404 4.401 9 HB2 ALA 2 1HB ALA 2 -5.354 16.637 4.317 10 HB3 ALA 2 2HB ALA 2 -5.883 17.706 2.975 11 H VAL 3 H VAL 3 -8.450 16.246 6.331 12 HA VAL 3 HA VAL 3 -6.870 17.073 8.668 13 HB VAL 3 HB VAL 3 -9.875 16.507 8.532 14 HG11 VAL 3 1HG1 VAL 3 -9.878 17.122 10.931 15 HG12 VAL 3 2HG1 VAL 3 -8.877 15.665 10.615 16 HG13 VAL 3 3HG1 VAL 3 -8.087 17.254 10.894 17 HG21 VAL 3 3HG2 VAL 3 -9.274 18.713 7.632 18 HG22 VAL 3 1HG2 VAL 3 -10.107 18.874 9.215 19 HG23 VAL 3 2HG2 VAL 3 -8.325 19.073 9.113 20 H ARG 4 H ARG 4 -5.606 15.277 9.131 21 HA ARG 4 HA ARG 4 -5.028 13.200 9.589 22 HB2 ARG 4 2HB ARG 4 -7.987 12.678 9.970 23 HB3 ARG 4 3HB ARG 4 -6.672 11.591 10.435 24 HG2 ARG 4 2HG ARG 4 -5.811 13.258 12.027 25 HG3 ARG 4 3HG ARG 4 -7.050 14.415 11.521 26 HD2 ARG 4 2HD ARG 4 -8.786 12.776 12.272 27 HD3 ARG 4 3HD ARG 4 -7.482 11.767 12.913 28 HE ARG 4 HE ARG 4 -7.188 14.356 14.001 29 HH11 ARG 4 1HH1 ARG 4 -9.488 11.702 14.128 30 HH12 ARG 4 2HH1 ARG 4 -9.987 12.061 15.748 31 HH21 ARG 4 1HH2 ARG 4 -7.846 14.811 16.071 32 HH22 ARG 4 2HH2 ARG 4 -9.046 13.846 16.864 33 H LYS 5 H LYS 5 -5.856 14.105 6.752 34 HA LYS 5 HA LYS 5 -6.229 11.402 5.645 35 HB2 LYS 5 2HB LYS 5 -6.526 14.181 4.409 36 HB3 LYS 5 3HB LYS 5 -6.667 12.664 3.510 37 HG2 LYS 5 2HG LYS 5 -8.614 12.000 4.899 38 HG3 LYS 5 3HG LYS 5 -8.459 13.482 5.852 39 HD2 LYS 5 2HD LYS 5 -8.815 14.843 3.770 40 HD3 LYS 5 3HD LYS 5 -9.002 13.352 2.837 41 HE2 LYS 5 2HE LYS 5 -10.951 12.703 4.273 42 HE3 LYS 5 3HE LYS 5 -10.766 14.200 5.196 43 HZ1 LYS 5 3HZ LYS 5 -11.358 14.045 2.310 44 HZ2 LYS 5 1HZ LYS 5 -12.427 14.415 3.487 45 HZ3 LYS 5 2HZ LYS 5 -11.187 15.427 3.162 46 H ILE 6 H ILE 6 -4.701 10.539 4.156 47 HA ILE 6 HA ILE 6 -2.300 12.160 3.755 48 HB ILE 6 HB ILE 6 -0.895 10.142 4.243 49 HG12 ILE 6 2HG1 ILE 6 -3.480 8.987 5.395 50 HG13 ILE 6 3HG1 ILE 6 -2.750 8.480 3.866 51 HG21 ILE 6 1HG2 ILE 6 -1.077 10.275 6.706 52 HG22 ILE 6 2HG2 ILE 6 -1.195 11.895 5.940 53 HG23 ILE 6 3HG2 ILE 6 -2.676 11.075 6.542 54 HD11 ILE 6 3HD1 ILE 6 -1.449 8.270 6.618 55 HD12 ILE 6 1HD1 ILE 6 -2.180 6.926 5.676 56 HD13 ILE 6 2HD1 ILE 6 -0.708 7.754 5.065 57 H HIS 7 H HIS 7 -1.049 11.540 1.838 58 HA HIS 7 HA HIS 7 -2.437 9.580 0.124 59 HB2 HIS 7 2HB HIS 7 -0.657 11.963 -0.592 60 HB3 HIS 7 3HB HIS 7 -1.249 10.770 -1.755 61 HD2 HIS 7 HD2 HIS 7 -3.917 11.102 -2.563 62 HE1 HIS 7 HE1 HIS 7 -4.687 14.565 -0.168 63 H VAL 8 H VAL 8 -1.205 7.915 -0.866 64 HA VAL 8 HA VAL 8 1.551 7.734 0.147 65 HB VAL 8 HB VAL 8 -0.484 5.495 -0.318 66 HG11 VAL 8 1HG1 VAL 8 1.266 4.007 0.608 67 HG12 VAL 8 2HG1 VAL 8 1.796 4.795 -0.916 68 HG13 VAL 8 3HG1 VAL 8 2.408 5.392 0.663 69 HG21 VAL 8 3HG2 VAL 8 -0.928 6.788 1.722 70 HG22 VAL 8 1HG2 VAL 8 -0.303 5.153 2.125 71 HG23 VAL 8 2HG2 VAL 8 0.779 6.581 2.240 72 H THR 9 H THR 9 3.167 7.201 -1.358 73 HA THR 9 HA THR 9 2.314 7.281 -4.118 74 HB THR 9 HB THR 9 5.087 7.216 -2.814 75 HG1 THR 9 HG1 THR 9 5.059 9.479 -3.494 76 HG21 THR 9 3HG2 THR 9 4.264 7.707 -5.718 77 HG22 THR 9 1HG2 THR 9 5.923 7.873 -5.052 78 HG23 THR 9 2HG2 THR 9 5.129 6.263 -5.091 79 H VAL 10 H VAL 10 1.958 5.438 -5.319 80 HA VAL 10 HA VAL 10 2.936 2.935 -4.188 81 HB VAL 10 HB VAL 10 0.940 3.484 -6.446 82 HG11 VAL 10 1HG1 VAL 10 0.337 1.097 -6.175 83 HG12 VAL 10 2HG1 VAL 10 2.050 1.301 -6.673 84 HG13 VAL 10 3HG1 VAL 10 1.651 0.907 -4.967 85 HG21 VAL 10 3HG2 VAL 10 0.120 4.276 -4.267 86 HG22 VAL 10 1HG2 VAL 10 -0.774 2.809 -4.791 87 HG23 VAL 10 2HG2 VAL 10 0.499 2.682 -3.531 88 H LYS 11 H LYS 11 4.821 2.069 -4.996 89 HA LYS 11 HA LYS 11 5.635 2.944 -7.686 90 HB2 LYS 11 2HB LYS 11 7.228 1.821 -5.330 91 HB3 LYS 11 3HB LYS 11 7.910 2.204 -6.916 92 HG2 LYS 11 2HG LYS 11 7.206 4.604 -6.600 93 HG3 LYS 11 3HG LYS 11 6.624 4.194 -4.981 94 HD2 LYS 11 2HD LYS 11 8.927 3.411 -4.360 95 HD3 LYS 11 3HD LYS 11 9.505 3.845 -5.974 96 HE2 LYS 11 2HE LYS 11 8.759 6.229 -5.549 97 HE3 LYS 11 3HE LYS 11 8.314 5.762 -3.902 98 HZ1 LYS 11 3HZ LYS 11 10.994 5.843 -5.092 99 HZ2 LYS 11 1HZ LYS 11 10.454 6.589 -3.744 100 HZ3 LYS 11 2HZ LYS 11 10.705 4.976 -3.739 101 H PHE 12 H PHE 12 5.026 1.425 -9.249 102 HA PHE 12 HA PHE 12 5.958 -1.311 -8.682 103 HB2 PHE 12 2HB PHE 12 4.221 -0.126 -10.897 104 HB3 PHE 12 3HB PHE 12 4.844 -1.781 -10.923 105 HD1 PHE 12 HD1 PHE 12 4.074 -3.440 -9.234 106 HD2 PHE 12 HD2 PHE 12 2.389 0.505 -9.465 107 HE1 PHE 12 HE1 PHE 12 2.136 -4.191 -7.892 108 HE2 PHE 12 HE2 PHE 12 0.450 -0.247 -8.118 109 HZ PHE 12 HZ PHE 12 0.321 -2.594 -7.328 110 HA PRO 13 HA PRO 13 9.550 -0.778 -11.262 111 HB2 PRO 13 2HB PRO 13 9.509 -3.204 -12.654 112 HB3 PRO 13 3HB PRO 13 10.035 -3.104 -10.968 113 HG2 PRO 13 2HG PRO 13 7.312 -3.877 -12.073 114 HG3 PRO 13 3HG PRO 13 8.256 -4.661 -10.799 115 HD2 PRO 13 2HD PRO 13 6.216 -3.004 -10.149 116 HD3 PRO 13 3HD PRO 13 7.693 -3.007 -9.176 117 H SER 14 H SER 14 6.359 -1.344 -12.669 118 HA SER 14 HA SER 14 7.443 -0.707 -15.322 119 HB2 SER 14 2HB SER 14 5.271 -1.462 -16.130 120 HB3 SER 14 3HB SER 14 5.988 -2.691 -15.079 121 HG SER 14 HG SER 14 3.748 -2.333 -14.622 122 H LYS 15 H LYS 15 5.510 0.648 -12.645 123 HA LYS 15 HA LYS 15 5.390 3.197 -13.914 124 HB2 LYS 15 2HB LYS 15 2.978 3.359 -14.163 125 HB3 LYS 15 3HB LYS 15 3.591 2.042 -15.173 126 HG2 LYS 15 2HG LYS 15 2.850 0.381 -13.469 127 HG3 LYS 15 3HG LYS 15 2.253 1.692 -12.443 128 HD2 LYS 15 2HD LYS 15 0.664 2.391 -14.226 129 HD3 LYS 15 3HD LYS 15 1.285 1.126 -15.295 130 HE2 LYS 15 2HE LYS 15 0.587 -0.611 -13.616 131 HE3 LYS 15 3HE LYS 15 -0.071 0.667 -12.586 132 HZ1 LYS 15 3HZ LYS 15 -0.976 0.058 -15.327 133 HZ2 LYS 15 1HZ LYS 15 -1.766 -0.328 -13.952 134 HZ3 LYS 15 2HZ LYS 15 -1.583 1.238 -14.376 135 H GLN 16 H GLN 16 4.260 4.822 -12.474 136 HA GLN 16 HA GLN 16 3.868 3.774 -9.749 137 HB2 GLN 16 2HB GLN 16 5.319 6.342 -10.566 138 HB3 GLN 16 3HB GLN 16 4.916 5.881 -8.907 139 HG2 GLN 16 2HG GLN 16 6.353 3.850 -9.132 140 HG3 GLN 16 3HG GLN 16 6.770 4.337 -10.780 141 HE21 GLN 16 1HE2 GLN 16 8.847 3.985 -9.153 142 HE22 GLN 16 2HE2 GLN 16 9.540 5.487 -8.640 143 H PHE 17 H PHE 17 2.312 4.988 -8.452 144 HA PHE 17 HA PHE 17 1.056 7.308 -9.579 145 HB2 PHE 17 2HB PHE 17 -1.216 6.325 -9.674 146 HB3 PHE 17 3HB PHE 17 -0.133 5.612 -10.877 147 HD1 PHE 17 HD1 PHE 17 -1.975 5.024 -7.730 148 HD2 PHE 17 HD2 PHE 17 0.589 3.291 -10.710 149 HE1 PHE 17 HE1 PHE 17 -2.509 2.765 -6.876 150 HE2 PHE 17 HE2 PHE 17 0.049 1.030 -9.857 151 HZ PHE 17 HZ PHE 17 -1.498 0.763 -7.935 152 H THR 18 H THR 18 -0.794 8.067 -8.057 153 HA THR 18 HA THR 18 0.143 7.438 -5.348 154 HB THR 18 HB THR 18 -1.129 9.986 -6.478 155 HG1 THR 18 HG1 THR 18 1.022 10.845 -6.005 156 HG21 THR 18 3HG2 THR 18 -0.046 9.356 -3.689 157 HG22 THR 18 1HG2 THR 18 -0.616 10.961 -4.259 158 HG23 THR 18 2HG2 THR 18 -1.771 9.591 -4.129 159 H VAL 19 H VAL 19 -1.396 7.039 -3.675 160 HA VAL 19 HA VAL 19 -4.194 7.001 -4.578 161 HB VAL 19 HB VAL 19 -4.529 5.049 -3.054 162 HG11 VAL 19 1HG1 VAL 19 -3.418 3.366 -4.490 163 HG12 VAL 19 2HG1 VAL 19 -4.153 4.689 -5.457 164 HG13 VAL 19 3HG1 VAL 19 -2.378 4.654 -5.186 165 HG21 VAL 19 3HG2 VAL 19 -2.653 5.456 -1.518 166 HG22 VAL 19 1HG2 VAL 19 -2.555 3.807 -2.224 167 HG23 VAL 19 2HG2 VAL 19 -1.483 5.111 -2.836 168 H GLU 20 H GLU 20 -5.812 7.412 -2.859 169 HA GLU 20 HA GLU 20 -4.630 9.075 -0.731 170 HB2 GLU 20 2HB GLU 20 -6.057 10.231 -2.427 171 HB3 GLU 20 3HB GLU 20 -7.398 9.150 -2.027 172 HG2 GLU 20 2HG GLU 20 -7.479 10.040 0.274 173 HG3 GLU 20 3HG GLU 20 -6.064 11.054 -0.039 174 H VAL 21 H VAL 21 -4.813 8.357 1.351 175 HA VAL 21 HA VAL 21 -7.126 6.674 1.967 176 HB VAL 21 HB VAL 21 -5.665 5.248 3.414 177 HG11 VAL 21 1HG1 VAL 21 -4.636 3.940 1.581 178 HG12 VAL 21 2HG1 VAL 21 -6.294 4.488 1.163 179 HG13 VAL 21 3HG1 VAL 21 -4.868 5.329 0.466 180 HG21 VAL 21 3HG2 VAL 21 -3.821 6.839 3.753 181 HG22 VAL 21 1HG2 VAL 21 -3.212 5.294 3.071 182 HG23 VAL 21 2HG2 VAL 21 -3.392 6.733 2.013 183 H ASP 22 H ASP 22 -7.310 6.437 4.509 184 HA ASP 22 HA ASP 22 -6.858 9.109 5.615 185 HB2 ASP 22 2HB ASP 22 -9.134 7.888 5.594 186 HB3 ASP 22 3HB ASP 22 -8.447 6.792 6.799 187 H ARG 23 H ARG 23 -5.868 9.419 7.717 188 HA ARG 23 HA ARG 23 -3.590 7.795 8.054 189 HB2 ARG 23 2HB ARG 23 -3.618 10.176 8.561 190 HB3 ARG 23 3HB ARG 23 -4.781 9.909 9.866 191 HG2 ARG 23 2HG ARG 23 -3.152 8.587 11.120 192 HG3 ARG 23 3HG ARG 23 -1.999 8.667 9.781 193 HD2 ARG 23 2HD ARG 23 -1.814 11.078 10.047 194 HD3 ARG 23 3HD ARG 23 -3.028 11.050 11.332 195 HE ARG 23 HE ARG 23 -0.878 9.309 12.017 196 HH11 ARG 23 1HH1 ARG 23 -1.574 12.739 11.689 197 HH12 ARG 23 2HH1 ARG 23 -0.427 13.204 12.900 198 HH21 ARG 23 1HH2 ARG 23 0.596 9.923 13.557 199 HH22 ARG 23 2HH2 ARG 23 0.819 11.590 13.972 200 H THR 24 H THR 24 -6.861 7.744 9.522 201 HA THR 24 HA THR 24 -5.930 6.168 11.747 202 HB THR 24 HB THR 24 -8.307 6.187 12.437 203 HG1 THR 24 HG1 THR 24 -8.742 7.679 9.975 204 HG21 THR 24 3HG2 THR 24 -7.328 8.908 11.439 205 HG22 THR 24 1HG2 THR 24 -8.584 8.636 12.693 206 HG23 THR 24 2HG2 THR 24 -6.888 8.129 12.997 207 H GLU 25 H GLU 25 -6.617 5.481 8.485 208 HA GLU 25 HA GLU 25 -7.994 2.980 8.972 209 HB2 GLU 25 2HB GLU 25 -6.844 4.367 6.508 210 HB3 GLU 25 3HB GLU 25 -7.533 2.739 6.450 211 HG2 GLU 25 2HG GLU 25 -9.726 3.550 7.093 212 HG3 GLU 25 3HG GLU 25 -9.089 5.154 7.482 213 H THR 26 H THR 26 -7.087 0.862 8.290 214 HA THR 26 HA THR 26 -4.283 0.678 8.944 215 HB THR 26 HB THR 26 -4.632 -1.723 8.910 216 HG1 THR 26 HG1 THR 26 -6.962 -2.397 8.322 217 HG21 THR 26 3HG2 THR 26 -7.091 -0.323 10.069 218 HG22 THR 26 1HG2 THR 26 -6.510 -1.965 10.508 219 HG23 THR 26 2HG2 THR 26 -5.503 -0.526 10.884 220 H VAL 27 H VAL 27 -3.059 -1.133 7.451 221 HA VAL 27 HA VAL 27 -2.707 0.034 4.939 222 HB VAL 27 HB VAL 27 -1.330 -1.971 4.448 223 HG11 VAL 27 1HG1 VAL 27 0.260 -1.755 6.335 224 HG12 VAL 27 2HG1 VAL 27 -0.373 -0.159 5.809 225 HG13 VAL 27 3HG1 VAL 27 -1.008 -0.929 7.302 226 HG21 VAL 27 3HG2 VAL 27 -2.791 -3.678 5.446 227 HG22 VAL 27 1HG2 VAL 27 -1.131 -3.781 6.126 228 HG23 VAL 27 2HG2 VAL 27 -2.450 -3.029 7.086 229 H SER 28 H SER 28 -5.137 -2.217 6.116 230 HA SER 28 HA SER 28 -5.705 -3.688 3.830 231 HB2 SER 28 2HB SER 28 -7.604 -2.491 5.901 232 HB3 SER 28 3HB SER 28 -7.998 -3.800 4.778 233 HG SER 28 HG SER 28 -6.264 -3.795 7.038 234 H SER 29 H SER 29 -6.769 -0.323 4.742 235 HA SER 29 HA SER 29 -8.410 -0.047 2.429 236 HB2 SER 29 2HB SER 29 -8.652 2.216 3.152 237 HB3 SER 29 3HB SER 29 -8.614 1.218 4.612 238 HG SER 29 HG SER 29 -7.204 3.286 4.340 239 H LEU 30 H LEU 30 -4.947 0.655 3.190 240 HA LEU 30 HA LEU 30 -4.411 2.073 0.811 241 HB2 LEU 30 2HB LEU 30 -2.936 2.025 2.807 242 HB3 LEU 30 3HB LEU 30 -2.649 0.296 2.570 243 HG LEU 30 HG LEU 30 -1.527 0.776 0.388 244 HD11 LEU 30 1HD1 LEU 30 -0.996 3.112 -0.205 245 HD12 LEU 30 2HD1 LEU 30 -2.768 2.823 -0.191 246 HD13 LEU 30 3HD1 LEU 30 -1.989 3.691 1.175 247 HD21 LEU 30 3HD2 LEU 30 -0.224 0.638 2.481 248 HD22 LEU 30 1HD2 LEU 30 0.485 1.845 1.355 249 HD23 LEU 30 2HD2 LEU 30 -0.484 2.392 2.765 250 H LYS 31 H LYS 31 -4.422 -1.471 1.610 251 HA LYS 31 HA LYS 31 -3.421 -2.263 -0.920 252 HB2 LYS 31 2HB LYS 31 -5.081 -3.675 1.219 253 HB3 LYS 31 3HB LYS 31 -4.474 -4.481 -0.233 254 HG2 LYS 31 2HG LYS 31 -2.132 -3.944 0.448 255 HG3 LYS 31 3HG LYS 31 -2.739 -3.139 1.901 256 HD2 LYS 31 2HD LYS 31 -3.830 -5.295 2.614 257 HD3 LYS 31 3HD LYS 31 -3.158 -6.089 1.183 258 HE2 LYS 31 2HE LYS 31 -0.840 -5.456 1.962 259 HE3 LYS 31 3HE LYS 31 -1.549 -4.758 3.425 260 HZ1 LYS 31 3HZ LYS 31 -1.840 -7.581 2.617 261 HZ2 LYS 31 1HZ LYS 31 -0.783 -7.031 3.733 262 HZ3 LYS 31 2HZ LYS 31 -2.389 -6.917 4.004 263 H ASP 32 H ASP 32 -6.749 -1.629 0.373 264 HA ASP 32 HA ASP 32 -8.185 -2.681 -1.762 265 HB2 ASP 32 2HB ASP 32 -8.671 -0.339 0.129 266 HB3 ASP 32 3HB ASP 32 -9.863 -0.843 -1.076 267 H LYS 33 H LYS 33 -6.712 0.630 -1.340 268 HA LYS 33 HA LYS 33 -7.840 1.675 -3.702 269 HB2 LYS 33 2HB LYS 33 -5.389 2.416 -2.041 270 HB3 LYS 33 3HB LYS 33 -5.941 3.365 -3.428 271 HG2 LYS 33 2HG LYS 33 -7.631 2.774 -0.947 272 HG3 LYS 33 3HG LYS 33 -6.709 4.260 -1.208 273 HD2 LYS 33 2HD LYS 33 -8.018 4.701 -3.299 274 HD3 LYS 33 3HD LYS 33 -8.945 3.219 -3.029 275 HE2 LYS 33 2HE LYS 33 -9.725 4.132 -0.818 276 HE3 LYS 33 3HE LYS 33 -8.831 5.625 -1.134 277 HZ1 LYS 33 3HZ LYS 33 -11.030 4.575 -2.797 278 HZ2 LYS 33 1HZ LYS 33 -11.134 5.825 -1.752 279 HZ3 LYS 33 2HZ LYS 33 -10.205 5.954 -3.088 280 H ILE 34 H ILE 34 -4.641 0.061 -3.017 281 HA ILE 34 HA ILE 34 -3.651 0.315 -5.610 282 HB ILE 34 HB ILE 34 -3.224 -1.799 -3.442 283 HG12 ILE 34 2HG1 ILE 34 -1.385 0.434 -4.412 284 HG13 ILE 34 3HG1 ILE 34 -2.529 0.640 -3.080 285 HG21 ILE 34 1HG2 ILE 34 -1.224 -2.492 -4.718 286 HG22 ILE 34 2HG2 ILE 34 -2.739 -2.787 -5.636 287 HG23 ILE 34 3HG2 ILE 34 -1.695 -1.386 -6.052 288 HD11 ILE 34 3HD1 ILE 34 -0.262 -1.400 -3.182 289 HD12 ILE 34 1HD1 ILE 34 -0.280 0.130 -2.242 290 HD13 ILE 34 2HD1 ILE 34 -1.425 -1.191 -1.829 291 H HIS 35 H HIS 35 -5.862 -2.138 -4.098 292 HA HIS 35 HA HIS 35 -5.818 -3.914 -6.291 293 HB2 HIS 35 2HB HIS 35 -6.561 -4.563 -4.032 294 HB3 HIS 35 3HB HIS 35 -7.893 -3.403 -4.102 295 HD2 HIS 35 HD2 HIS 35 -10.232 -4.556 -4.915 296 HE1 HIS 35 HE1 HIS 35 -8.558 -7.892 -7.010 297 H ILE 36 H ILE 36 -7.780 -0.974 -5.521 298 HA ILE 36 HA ILE 36 -9.707 -1.387 -7.511 299 HB ILE 36 HB ILE 36 -8.623 1.111 -6.128 300 HG12 ILE 36 2HG1 ILE 36 -11.330 -0.276 -5.903 301 HG13 ILE 36 3HG1 ILE 36 -9.955 -0.661 -4.860 302 HG21 ILE 36 1HG2 ILE 36 -10.559 2.325 -7.076 303 HG22 ILE 36 2HG2 ILE 36 -9.436 1.755 -8.356 304 HG23 ILE 36 3HG2 ILE 36 -10.977 0.882 -8.059 305 HD11 ILE 36 3HD1 ILE 36 -11.288 2.072 -5.116 306 HD12 ILE 36 1HD1 ILE 36 -11.486 0.910 -3.762 307 HD13 ILE 36 2HD1 ILE 36 -9.891 1.681 -4.057 308 H VAL 37 H VAL 37 -6.472 0.280 -7.546 309 HA VAL 37 HA VAL 37 -6.848 1.237 -10.201 310 HB VAL 37 HB VAL 37 -4.375 0.954 -8.420 311 HG11 VAL 37 1HG1 VAL 37 -3.259 2.477 -10.012 312 HG12 VAL 37 2HG1 VAL 37 -3.716 0.919 -10.781 313 HG13 VAL 37 3HG1 VAL 37 -4.694 2.394 -11.090 314 HG21 VAL 37 3HG2 VAL 37 -6.063 2.524 -7.575 315 HG22 VAL 37 1HG2 VAL 37 -4.612 3.403 -8.166 316 HG23 VAL 37 2HG2 VAL 37 -6.104 3.357 -9.166 317 H GLU 38 H GLU 38 -5.291 -1.659 -8.680 318 HA GLU 38 HA GLU 38 -4.118 -2.376 -11.257 319 HB2 GLU 38 2HB GLU 38 -3.894 -3.592 -8.461 320 HB3 GLU 38 3HB GLU 38 -3.043 -4.188 -9.892 321 HG2 GLU 38 2HG GLU 38 -2.710 -1.408 -8.658 322 HG3 GLU 38 3HG GLU 38 -1.598 -2.768 -8.453 323 H ASN 39 H ASN 39 -4.138 -5.035 -11.465 324 HA ASN 39 HA ASN 39 -6.996 -5.741 -11.321 325 HB2 ASN 39 2HB ASN 39 -4.890 -6.588 -13.348 326 HB3 ASN 39 3HB ASN 39 -6.550 -7.195 -13.280 327 HD21 ASN 39 1HD2 ASN 39 -8.285 -5.623 -13.517 328 HD22 ASN 39 2HD2 ASN 39 -8.042 -4.203 -14.477 329 H THR 40 H THR 40 -4.637 -6.169 -9.326 330 HA THR 40 HA THR 40 -4.571 -9.102 -9.460 331 HB THR 40 HB THR 40 -2.612 -7.115 -8.193 332 HG1 THR 40 HG1 THR 40 -2.291 -9.028 -10.365 333 HG21 THR 40 3HG2 THR 40 -2.551 -10.171 -8.300 334 HG22 THR 40 1HG2 THR 40 -1.237 -9.113 -7.682 335 HG23 THR 40 2HG2 THR 40 -2.821 -9.167 -6.836 336 HA PRO 41 HA PRO 41 -7.094 -9.105 -5.769 337 HB2 PRO 41 2HB PRO 41 -5.612 -11.746 -5.378 338 HB3 PRO 41 3HB PRO 41 -7.354 -11.448 -5.333 339 HG2 PRO 41 2HG PRO 41 -6.294 -12.635 -7.470 340 HG3 PRO 41 3HG PRO 41 -7.548 -11.409 -7.697 341 HD2 PRO 41 2HD PRO 41 -4.542 -11.154 -8.079 342 HD3 PRO 41 3HD PRO 41 -5.849 -10.471 -9.056 343 H ILE 42 H ILE 42 -6.928 -8.633 -3.616 344 HA ILE 42 HA ILE 42 -4.506 -7.506 -2.832 345 HB ILE 42 HB ILE 42 -6.999 -8.344 -1.275 346 HG12 ILE 42 2HG1 ILE 42 -5.948 -5.582 -2.043 347 HG13 ILE 42 3HG1 ILE 42 -7.102 -6.495 -3.023 348 HG21 ILE 42 1HG2 ILE 42 -6.142 -6.961 0.586 349 HG22 ILE 42 2HG2 ILE 42 -5.078 -8.369 0.253 350 HG23 ILE 42 3HG2 ILE 42 -4.598 -6.730 -0.302 351 HD11 ILE 42 3HD1 ILE 42 -7.535 -5.590 -0.141 352 HD12 ILE 42 1HD1 ILE 42 -8.248 -4.847 -1.613 353 HD13 ILE 42 2HD1 ILE 42 -8.707 -6.517 -1.137 354 H LYS 43 H LYS 43 -5.929 -10.778 -2.251 355 HA LYS 43 HA LYS 43 -4.147 -11.504 -0.185 356 HB2 LYS 43 2HB LYS 43 -5.785 -13.112 -2.198 357 HB3 LYS 43 3HB LYS 43 -4.854 -13.851 -0.889 358 HG2 LYS 43 2HG LYS 43 -6.205 -12.600 0.790 359 HG3 LYS 43 3HG LYS 43 -7.127 -11.837 -0.512 360 HD2 LYS 43 2HD LYS 43 -7.906 -14.078 -1.290 361 HD3 LYS 43 3HD LYS 43 -6.961 -14.858 -0.015 362 HE2 LYS 43 2HE LYS 43 -8.285 -13.646 1.720 363 HE3 LYS 43 3HE LYS 43 -9.219 -12.839 0.453 364 HZ1 LYS 43 3HZ LYS 43 -9.130 -15.754 0.906 365 HZ2 LYS 43 1HZ LYS 43 -10.363 -14.762 1.307 366 HZ3 LYS 43 2HZ LYS 43 -9.992 -15.010 -0.263 367 H ARG 44 H ARG 44 -3.717 -11.154 -3.664 368 HA ARG 44 HA ARG 44 -1.379 -12.923 -3.569 369 HB2 ARG 44 2HB ARG 44 -2.799 -11.673 -5.935 370 HB3 ARG 44 3HB ARG 44 -1.373 -12.715 -6.016 371 HG2 ARG 44 2HG ARG 44 -4.070 -13.546 -4.862 372 HG3 ARG 44 3HG ARG 44 -3.535 -13.874 -6.515 373 HD2 ARG 44 2HD ARG 44 -1.668 -15.194 -5.671 374 HD3 ARG 44 3HD ARG 44 -2.144 -14.831 -4.007 375 HE ARG 44 HE ARG 44 -4.342 -16.030 -5.349 376 HH11 ARG 44 1HH1 ARG 44 -1.136 -16.883 -4.189 377 HH12 ARG 44 2HH1 ARG 44 -1.559 -18.535 -3.890 378 HH21 ARG 44 1HH2 ARG 44 -4.865 -18.152 -4.973 379 HH22 ARG 44 2HH2 ARG 44 -3.700 -19.266 -4.340 380 H MET 45 H MET 45 -2.397 -9.497 -4.065 381 HA MET 45 HA MET 45 0.111 -8.602 -5.009 382 HB2 MET 45 2HB MET 45 -2.026 -7.381 -5.291 383 HB3 MET 45 3HB MET 45 -2.148 -7.161 -3.540 384 HG2 MET 45 2HG MET 45 0.306 -6.145 -4.992 385 HG3 MET 45 3HG MET 45 -1.208 -5.238 -5.106 386 HE1 MET 45 3HE MET 45 -2.401 -5.172 -1.688 387 HE2 MET 45 1HE MET 45 -1.836 -3.517 -2.097 388 HE3 MET 45 2HE MET 45 -2.572 -4.553 -3.366 389 H GLN 46 H GLN 46 1.987 -7.996 -3.955 390 HA GLN 46 HA GLN 46 1.935 -8.281 -1.026 391 HB2 GLN 46 2HB GLN 46 4.315 -8.284 -2.947 392 HB3 GLN 46 3HB GLN 46 4.346 -8.665 -1.220 393 HG2 GLN 46 2HG GLN 46 2.865 -10.276 -3.351 394 HG3 GLN 46 3HG GLN 46 4.450 -10.684 -2.680 395 HE21 GLN 46 1HE2 GLN 46 1.312 -11.524 -2.526 396 HE22 GLN 46 2HE2 GLN 46 1.192 -12.065 -0.885 397 H LEU 47 H LEU 47 2.828 -6.619 0.325 398 HA LEU 47 HA LEU 47 3.063 -4.039 -1.090 399 HB2 LEU 47 2HB LEU 47 0.779 -4.274 -0.253 400 HB3 LEU 47 3HB LEU 47 1.364 -4.780 1.337 401 HG LEU 47 HG LEU 47 2.373 -2.512 1.683 402 HD11 LEU 47 1HD1 LEU 47 1.790 -0.695 0.119 403 HD12 LEU 47 2HD1 LEU 47 2.785 -1.958 -0.680 404 HD13 LEU 47 3HD1 LEU 47 1.016 -1.886 -0.980 405 HD21 LEU 47 3HD2 LEU 47 0.095 -3.035 2.481 406 HD22 LEU 47 1HD2 LEU 47 0.220 -1.322 1.954 407 HD23 LEU 47 2HD2 LEU 47 -0.582 -2.531 0.895 408 H TYR 48 H TYR 48 5.105 -3.281 -0.687 409 HA TYR 48 HA TYR 48 6.142 -3.690 2.047 410 HB2 TYR 48 2HB TYR 48 7.540 -4.808 0.416 411 HB3 TYR 48 3HB TYR 48 7.522 -3.405 -0.661 412 HD1 TYR 48 HD1 TYR 48 8.747 -4.623 2.655 413 HD2 TYR 48 HD2 TYR 48 9.113 -1.647 -0.416 414 HE1 TYR 48 HE1 TYR 48 10.807 -3.773 3.730 415 HE2 TYR 48 HE2 TYR 48 11.177 -0.796 0.652 416 HH TYR 48 HH TYR 48 12.747 -1.177 2.201 417 H TYR 49 H TYR 49 6.804 -1.891 3.243 418 HA TYR 49 HA TYR 49 6.593 0.702 1.849 419 HB2 TYR 49 2HB TYR 49 4.864 0.656 3.474 420 HB3 TYR 49 3HB TYR 49 5.860 -0.202 4.656 421 HD1 TYR 49 HD1 TYR 49 5.927 3.046 2.727 422 HD2 TYR 49 HD2 TYR 49 6.678 1.034 6.444 423 HE1 TYR 49 HE1 TYR 49 6.547 5.207 3.767 424 HE2 TYR 49 HE2 TYR 49 7.300 3.189 7.489 425 HH TYR 49 HH TYR 49 6.597 5.785 6.925 426 H SER 50 H SER 50 8.377 2.059 1.898 427 HA SER 50 HA SER 50 10.888 1.485 2.268 428 HB2 SER 50 2HB SER 50 10.032 3.750 1.797 429 HB3 SER 50 3HB SER 50 9.511 3.926 3.478 430 HG SER 50 HG SER 50 11.562 4.923 3.078 431 H GLY 51 H GLY 51 11.737 -0.021 3.699 432 HA2 GLY 51 2HA GLY 51 12.780 -0.326 5.769 433 HA3 GLY 51 3HA GLY 51 11.585 0.727 6.537 434 H ILE 52 H ILE 52 9.268 -0.128 6.709 435 HA ILE 52 HA ILE 52 9.513 -2.944 7.436 436 HB ILE 52 HB ILE 52 7.463 -0.796 8.186 437 HG12 ILE 52 2HG1 ILE 52 9.582 -2.186 9.891 438 HG13 ILE 52 3HG1 ILE 52 9.813 -0.606 9.132 439 HG21 ILE 52 1HG2 ILE 52 6.608 -2.456 9.805 440 HG22 ILE 52 2HG2 ILE 52 6.423 -3.019 8.109 441 HG23 ILE 52 3HG2 ILE 52 7.737 -3.683 9.138 442 HD11 ILE 52 3HD1 ILE 52 7.657 -1.303 11.175 443 HD12 ILE 52 1HD1 ILE 52 9.160 -0.370 11.484 444 HD13 ILE 52 2HD1 ILE 52 7.892 0.302 10.404 445 H GLU 53 H GLU 53 8.357 -4.562 6.386 446 HA GLU 53 HA GLU 53 6.746 -3.880 4.120 447 HB2 GLU 53 2HB GLU 53 8.171 -5.923 4.274 448 HB3 GLU 53 3HB GLU 53 7.169 -6.520 5.602 449 HG2 GLU 53 2HG GLU 53 5.198 -6.620 4.091 450 HG3 GLU 53 3HG GLU 53 6.171 -5.979 2.761 451 H LEU 54 H LEU 54 4.467 -4.017 3.874 452 HA LEU 54 HA LEU 54 3.139 -3.485 6.421 453 HB2 LEU 54 2HB LEU 54 2.228 -3.107 3.525 454 HB3 LEU 54 3HB LEU 54 1.365 -2.549 4.964 455 HG LEU 54 HG LEU 54 4.101 -1.560 4.008 456 HD11 LEU 54 1HD1 LEU 54 2.891 0.557 3.625 457 HD12 LEU 54 2HD1 LEU 54 2.206 -0.781 2.642 458 HD13 LEU 54 3HD1 LEU 54 1.355 -0.228 4.124 459 HD21 LEU 54 3HD2 LEU 54 3.947 -1.615 6.471 460 HD22 LEU 54 1HD2 LEU 54 3.899 0.072 5.856 461 HD23 LEU 54 2HD2 LEU 54 2.386 -0.729 6.398 462 H ALA 55 H ALA 55 3.264 -5.943 6.929 463 HA ALA 55 HA ALA 55 1.719 -7.595 5.099 464 HB1 ALA 55 3HB ALA 55 3.355 -8.237 7.603 465 HB2 ALA 55 1HB ALA 55 2.597 -9.443 6.510 466 HB3 ALA 55 2HB ALA 55 3.912 -8.383 5.902 467 H ASP 56 H ASP 56 1.295 -5.904 8.173 468 HA ASP 56 HA ASP 56 -0.664 -7.859 9.093 469 HB2 ASP 56 2HB ASP 56 1.066 -6.955 10.643 470 HB3 ASP 56 3HB ASP 56 0.462 -5.316 10.365 471 H ASP 57 H ASP 57 -2.788 -7.649 8.505 472 HA ASP 57 HA ASP 57 -3.590 -5.372 7.013 473 HB2 ASP 57 2HB ASP 57 -5.031 -7.810 8.143 474 HB3 ASP 57 3HB ASP 57 -5.879 -6.551 7.236 475 H TYR 58 H TYR 58 -3.758 -6.230 10.471 476 HA TYR 58 HA TYR 58 -5.987 -4.371 10.855 477 HB2 TYR 58 2HB TYR 58 -4.627 -6.398 12.698 478 HB3 TYR 58 3HB TYR 58 -5.973 -5.355 13.174 479 HD1 TYR 58 HD1 TYR 58 -8.215 -5.623 12.015 480 HD2 TYR 58 HD2 TYR 58 -5.004 -8.418 11.468 481 HE1 TYR 58 HE1 TYR 58 -9.822 -7.300 11.161 482 HE2 TYR 58 HE2 TYR 58 -6.604 -10.098 10.610 483 HH TYR 58 HH TYR 58 -10.119 -9.340 10.374 484 H ARG 59 H ARG 59 -2.537 -4.378 10.932 485 HA ARG 59 HA ARG 59 -2.319 -2.452 13.057 486 HB2 ARG 59 2HB ARG 59 -0.507 -4.009 12.592 487 HB3 ARG 59 3HB ARG 59 -0.331 -3.355 10.958 488 HG2 ARG 59 2HG ARG 59 0.384 -1.201 11.820 489 HG3 ARG 59 3HG ARG 59 0.013 -1.683 13.481 490 HD2 ARG 59 2HD ARG 59 1.770 -3.323 13.466 491 HD3 ARG 59 3HD ARG 59 2.074 -3.051 11.745 492 HE ARG 59 HE ARG 59 2.412 -0.587 13.081 493 HH11 ARG 59 1HH1 ARG 59 3.932 -3.756 13.001 494 HH12 ARG 59 2HH1 ARG 59 5.508 -3.135 13.363 495 HH21 ARG 59 1HH2 ARG 59 4.434 0.190 13.557 496 HH22 ARG 59 2HH2 ARG 59 5.797 -0.871 13.684 497 H ASN 60 H ASN 60 -2.177 -0.190 12.891 498 HA ASN 60 HA ASN 60 -3.656 0.761 10.636 499 HB2 ASN 60 2HB ASN 60 -2.516 2.125 13.102 500 HB3 ASN 60 3HB ASN 60 -3.465 2.960 11.865 501 HD21 ASN 60 1HD2 ASN 60 -3.633 1.618 14.804 502 HD22 ASN 60 2HD2 ASN 60 -5.326 1.257 14.866 503 H LEU 61 H LEU 61 -3.017 2.589 9.236 504 HA LEU 61 HA LEU 61 -0.432 2.453 8.203 505 HB2 LEU 61 2HB LEU 61 -2.557 4.648 8.146 506 HB3 LEU 61 3HB LEU 61 -1.068 4.705 7.193 507 HG LEU 61 HG LEU 61 -3.148 2.467 6.969 508 HD11 LEU 61 1HD1 LEU 61 -3.826 3.581 4.876 509 HD12 LEU 61 2HD1 LEU 61 -4.106 4.634 6.304 510 HD13 LEU 61 3HD1 LEU 61 -2.700 4.935 5.228 511 HD21 LEU 61 3HD2 LEU 61 -0.850 1.846 6.312 512 HD22 LEU 61 1HD2 LEU 61 -1.926 1.963 4.878 513 HD23 LEU 61 2HD2 LEU 61 -0.763 3.283 5.239 514 H ASN 62 H ASN 62 -1.839 4.631 10.751 515 HA ASN 62 HA ASN 62 0.417 6.269 10.991 516 HB2 ASN 62 2HB ASN 62 -1.801 6.793 11.924 517 HB3 ASN 62 3HB ASN 62 -1.650 5.454 13.069 518 HD21 ASN 62 1HD2 ASN 62 -1.025 5.979 15.006 519 HD22 ASN 62 2HD2 ASN 62 0.011 7.296 15.443 520 H GLU 63 H GLU 63 -0.429 3.077 12.500 521 HA GLU 63 HA GLU 63 1.681 3.125 14.376 522 HB2 GLU 63 2HB GLU 63 0.039 0.889 13.104 523 HB3 GLU 63 3HB GLU 63 1.253 0.597 14.356 524 HG2 GLU 63 2HG GLU 63 -0.012 2.146 15.891 525 HG3 GLU 63 3HG GLU 63 -1.253 2.325 14.644 526 H TYR 64 H TYR 64 1.507 2.257 10.904 527 HA TYR 64 HA TYR 64 4.008 0.825 10.982 528 HB2 TYR 64 2HB TYR 64 1.901 1.552 8.976 529 HB3 TYR 64 3HB TYR 64 3.542 1.373 8.340 530 HD1 TYR 64 HD1 TYR 64 4.808 -0.829 9.373 531 HD2 TYR 64 HD2 TYR 64 0.568 -0.347 8.919 532 HE1 TYR 64 HE1 TYR 64 4.536 -3.288 9.349 533 HE2 TYR 64 HE2 TYR 64 0.287 -2.806 8.892 534 HH TYR 64 HH TYR 64 3.136 -4.991 9.196 535 H GLY 65 H GLY 65 3.036 4.194 10.835 536 HA2 GLY 65 2HA GLY 65 4.533 5.953 10.883 537 HA3 GLY 65 3HA GLY 65 5.796 4.920 10.202 538 H ILE 66 H ILE 66 2.500 5.018 8.772 539 HA ILE 66 HA ILE 66 3.700 5.797 6.283 540 HB ILE 66 HB ILE 66 0.784 5.257 7.048 541 HG12 ILE 66 2HG1 ILE 66 2.217 3.299 7.400 542 HG13 ILE 66 3HG1 ILE 66 1.136 3.054 6.022 543 HG21 ILE 66 1HG2 ILE 66 0.432 4.988 4.615 544 HG22 ILE 66 2HG2 ILE 66 0.977 6.648 5.032 545 HG23 ILE 66 3HG2 ILE 66 2.136 5.475 4.319 546 HD11 ILE 66 3HD1 ILE 66 4.082 3.835 5.859 547 HD12 ILE 66 1HD1 ILE 66 3.388 2.210 5.539 548 HD13 ILE 66 2HD1 ILE 66 2.984 3.587 4.460 549 H THR 67 H THR 67 3.890 7.893 5.550 550 HA THR 67 HA THR 67 2.263 9.887 6.966 551 HB THR 67 HB THR 67 4.077 11.476 6.576 552 HG1 THR 67 HG1 THR 67 6.054 10.711 5.530 553 HG21 THR 67 3HG2 THR 67 5.161 8.807 7.605 554 HG22 THR 67 1HG2 THR 67 5.885 10.423 7.905 555 HG23 THR 67 2HG2 THR 67 4.264 10.029 8.568 556 H GLU 68 H GLU 68 2.690 12.122 5.321 557 HA GLU 68 HA GLU 68 1.039 11.466 3.059 558 HB2 GLU 68 2HB GLU 68 2.366 14.039 4.032 559 HB3 GLU 68 3HB GLU 68 1.321 13.949 2.608 560 HG2 GLU 68 2HG GLU 68 -0.581 13.224 4.004 561 HG3 GLU 68 3HG GLU 68 0.451 13.185 5.439 562 H PHE 69 H PHE 69 4.399 11.226 3.633 563 HA PHE 69 HA PHE 69 4.928 11.622 0.757 564 HB2 PHE 69 2HB PHE 69 6.822 11.689 3.158 565 HB3 PHE 69 3HB PHE 69 7.323 11.813 1.466 566 HD1 PHE 69 HD1 PHE 69 6.435 13.774 0.077 567 HD2 PHE 69 HD2 PHE 69 6.106 13.598 4.356 568 HE1 PHE 69 HE1 PHE 69 6.096 16.226 0.151 569 HE2 PHE 69 HE2 PHE 69 5.764 16.048 4.429 570 HZ PHE 69 HZ PHE 69 5.760 17.366 2.330 571 H SER 70 H SER 70 3.817 9.202 2.494 572 HA SER 70 HA SER 70 5.810 7.322 2.874 573 HB2 SER 70 2HB SER 70 3.514 7.135 3.737 574 HB3 SER 70 3HB SER 70 2.877 6.988 2.094 575 HG SER 70 HG SER 70 4.770 5.174 3.300 576 H GLU 71 H GLU 71 7.137 6.188 1.521 577 HA GLU 71 HA GLU 71 6.214 5.852 -1.260 578 HB2 GLU 71 2HB GLU 71 9.003 5.767 -0.018 579 HB3 GLU 71 3HB GLU 71 8.646 5.353 -1.700 580 HG2 GLU 71 2HG GLU 71 7.804 7.665 -2.096 581 HG3 GLU 71 3HG GLU 71 8.142 8.082 -0.411 582 H ILE 72 H ILE 72 5.351 3.862 -1.686 583 HA ILE 72 HA ILE 72 6.432 1.622 -0.119 584 HB ILE 72 HB ILE 72 4.182 0.547 -0.435 585 HG12 ILE 72 2HG1 ILE 72 3.312 3.315 -1.389 586 HG13 ILE 72 3HG1 ILE 72 3.594 1.943 -2.468 587 HG21 ILE 72 1HG2 ILE 72 2.999 1.922 1.245 588 HG22 ILE 72 2HG2 ILE 72 4.735 1.712 1.655 589 HG23 ILE 72 3HG2 ILE 72 4.159 3.263 0.958 590 HD11 ILE 72 3HD1 ILE 72 1.540 2.045 -0.213 591 HD12 ILE 72 1HD1 ILE 72 1.205 2.202 -1.971 592 HD13 ILE 72 2HD1 ILE 72 1.825 0.651 -1.309 593 H VAL 73 H VAL 73 6.938 -0.318 -1.255 594 HA VAL 73 HA VAL 73 6.697 -0.095 -4.172 595 HB VAL 73 HB VAL 73 8.552 -1.809 -2.438 596 HG11 VAL 73 1HG1 VAL 73 9.640 -2.416 -4.577 597 HG12 VAL 73 2HG1 VAL 73 7.930 -2.960 -4.519 598 HG13 VAL 73 3HG1 VAL 73 8.377 -1.506 -5.472 599 HG21 VAL 73 3HG2 VAL 73 9.150 0.576 -2.431 600 HG22 VAL 73 1HG2 VAL 73 10.343 -0.380 -3.375 601 HG23 VAL 73 2HG2 VAL 73 9.106 0.605 -4.226 602 H VAL 74 H VAL 74 5.435 -1.592 -5.299 603 HA VAL 74 HA VAL 74 4.139 -3.592 -3.574 604 HB VAL 74 HB VAL 74 2.907 -1.932 -5.836 605 HG11 VAL 74 1HG1 VAL 74 0.774 -2.959 -5.110 606 HG12 VAL 74 2HG1 VAL 74 1.948 -4.191 -5.685 607 HG13 VAL 74 3HG1 VAL 74 1.669 -3.969 -3.925 608 HG21 VAL 74 3HG2 VAL 74 3.327 -0.589 -3.822 609 HG22 VAL 74 1HG2 VAL 74 1.569 -0.885 -4.038 610 HG23 VAL 74 2HG2 VAL 74 2.493 -1.818 -2.813 611 H PHE 75 H PHE 75 3.930 -5.689 -4.409 612 HA PHE 75 HA PHE 75 4.956 -6.051 -7.154 613 HB2 PHE 75 2HB PHE 75 5.154 -7.900 -4.725 614 HB3 PHE 75 3HB PHE 75 5.729 -8.281 -6.354 615 HD1 PHE 75 HD1 PHE 75 7.687 -7.099 -7.307 616 HD2 PHE 75 HD2 PHE 75 6.381 -6.402 -3.274 617 HE1 PHE 75 HE1 PHE 75 9.869 -6.058 -6.780 618 HE2 PHE 75 HE2 PHE 75 8.564 -5.360 -2.748 619 HZ PHE 75 HZ PHE 75 10.312 -5.184 -4.501 620 H LEU 76 H LEU 76 3.810 -7.431 -8.560 621 HA LEU 76 HA LEU 76 1.120 -8.114 -7.581 622 HB2 LEU 76 2HB LEU 76 2.217 -7.820 -10.421 623 HB3 LEU 76 3HB LEU 76 0.534 -8.148 -9.986 624 HG LEU 76 HG LEU 76 2.074 -5.593 -9.282 625 HD11 LEU 76 1HD1 LEU 76 0.585 -4.538 -10.946 626 HD12 LEU 76 2HD1 LEU 76 1.611 -5.809 -11.693 627 HD13 LEU 76 3HD1 LEU 76 -0.118 -6.144 -11.339 628 HD21 LEU 76 3HD2 LEU 76 0.362 -6.197 -7.610 629 HD22 LEU 76 1HD2 LEU 76 -0.146 -4.767 -8.571 630 HD23 LEU 76 2HD2 LEU 76 -0.857 -6.380 -8.916 631 H LYS 77 H LYS 77 0.375 -10.226 -7.564 632 HA LYS 77 HA LYS 77 2.147 -12.233 -8.803 633 HB2 LYS 77 2HB LYS 77 0.615 -12.403 -6.164 634 HB3 LYS 77 3HB LYS 77 1.461 -13.751 -6.935 635 HG2 LYS 77 2HG LYS 77 2.772 -11.172 -5.942 636 HG3 LYS 77 3HG LYS 77 2.781 -12.725 -5.094 637 HD2 LYS 77 2HD LYS 77 3.977 -13.779 -7.016 638 HD3 LYS 77 3HD LYS 77 3.946 -12.241 -7.889 639 HE2 LYS 77 2HE LYS 77 5.248 -11.180 -6.007 640 HE3 LYS 77 3HE LYS 77 5.326 -12.752 -5.200 641 HZ1 LYS 77 3HZ LYS 77 6.435 -12.152 -7.868 642 HZ2 LYS 77 1HZ LYS 77 7.295 -12.322 -6.491 643 HZ3 LYS 77 2HZ LYS 77 6.507 -13.603 -7.124 644 H SER 78 H SER 78 0.423 -11.544 -10.606 645 HA SER 78 HA SER 78 -1.304 -13.845 -10.692 646 HB2 SER 78 2HB SER 78 -3.369 -12.664 -11.046 647 HB3 SER 78 3HB SER 78 -2.699 -12.130 -9.499 648 HG SER 78 HG SER 78 -3.514 -10.417 -10.936 649 H ILE 79 H ILE 79 -2.215 -14.166 -12.908 650 HA ILE 79 HA ILE 79 -0.584 -12.718 -14.873 651 HB ILE 79 HB ILE 79 -1.942 -15.457 -14.996 652 HG12 ILE 79 2HG1 ILE 79 1.011 -14.677 -15.069 653 HG13 ILE 79 3HG1 ILE 79 0.165 -15.254 -13.627 654 HG21 ILE 79 1HG2 ILE 79 -0.866 -15.679 -17.212 655 HG22 ILE 79 2HG2 ILE 79 -2.051 -14.330 -17.177 656 HG23 ILE 79 3HG2 ILE 79 -0.291 -13.981 -17.099 657 HD11 ILE 79 3HD1 ILE 79 0.525 -16.813 -16.226 658 HD12 ILE 79 1HD1 ILE 79 1.430 -17.064 -14.695 659 HD13 ILE 79 2HD1 ILE 79 -0.334 -17.399 -14.761 660 H ASN 80 H ASN 80 -3.903 -14.222 -14.435 661 HA ASN 80 HA ASN 80 -4.926 -12.850 -16.707 662 HB2 ASN 80 2HB ASN 80 -6.206 -14.392 -14.427 663 HB3 ASN 80 3HB ASN 80 -7.146 -13.631 -15.717 664 HD21 ASN 80 1HD2 ASN 80 -7.167 -16.350 -15.168 665 HD22 ASN 80 2HD2 ASN 80 -6.566 -17.174 -16.568 666 H ARG 81 H ARG 81 -6.519 -11.116 -16.746 667 HA ARG 81 HA ARG 81 -6.219 -9.352 -14.422 668 HB2 ARG 81 2HB ARG 81 -6.957 -8.774 -17.299 669 HB3 ARG 81 3HB ARG 81 -7.041 -7.586 -15.991 670 HG2 ARG 81 2HG ARG 81 -4.623 -7.814 -15.588 671 HG3 ARG 81 3HG ARG 81 -4.513 -9.072 -16.827 672 HD2 ARG 81 2HD ARG 81 -5.351 -6.203 -17.298 673 HD3 ARG 81 3HD ARG 81 -3.734 -6.862 -17.575 674 HE ARG 81 HE ARG 81 -5.463 -8.453 -19.074 675 HH11 ARG 81 1HH1 ARG 81 -4.650 -5.036 -18.952 676 HH12 ARG 81 2HH1 ARG 81 -4.924 -4.793 -20.645 677 HH21 ARG 81 1HH2 ARG 81 -5.822 -8.124 -21.240 678 HH22 ARG 81 2HH2 ARG 81 -5.597 -6.565 -21.960 679 H ALA 82 H ALA 82 -8.107 -8.176 -13.591 680 HA ALA 82 HA ALA 82 -10.709 -9.060 -14.529 681 HB1 ALA 82 3HB ALA 82 -9.728 -9.552 -11.674 682 HB2 ALA 82 1HB ALA 82 -11.418 -9.748 -12.251 683 HB3 ALA 82 2HB ALA 82 -10.119 -10.808 -12.897 684 H LYS 83 H LYS 83 -12.448 -7.660 -13.799 685 HA LYS 83 HA LYS 83 -11.644 -4.978 -13.508 686 HB2 LYS 83 2HB LYS 83 -13.746 -5.703 -14.586 687 HB3 LYS 83 3HB LYS 83 -14.332 -6.354 -13.050 688 HG2 LYS 83 2HG LYS 83 -14.338 -4.072 -12.067 689 HG3 LYS 83 3HG LYS 83 -13.706 -3.406 -13.579 690 HD2 LYS 83 2HD LYS 83 -15.734 -4.223 -14.791 691 HD3 LYS 83 3HD LYS 83 -16.365 -4.903 -13.286 692 HE2 LYS 83 2HE LYS 83 -16.355 -2.615 -12.258 693 HE3 LYS 83 3HE LYS 83 -15.750 -1.942 -13.778 694 HZ1 LYS 83 3HZ LYS 83 -18.322 -3.349 -13.445 695 HZ2 LYS 83 1HZ LYS 83 -18.128 -1.736 -13.604 696 HZ3 LYS 83 2HZ LYS 83 -17.763 -2.729 -14.848 697 H ASP 84 H ASP 84 -13.560 -7.026 -11.139 698 HA ASP 84 HA ASP 84 -12.743 -5.319 -8.975 699 HB2 ASP 84 2HB ASP 84 -14.953 -6.485 -9.082 700 HB3 ASP 84 3HB ASP 84 -14.126 -8.047 -9.012 Start of MODEL 17 1 H ALA 1 1H ALA 1 -12.258 5.711 8.312 2 HA ALA 1 HA ALA 1 -11.651 7.649 7.587 3 HB1 ALA 1 3HB ALA 1 -14.672 8.081 7.779 4 HB2 ALA 1 1HB ALA 1 -13.539 9.036 6.764 5 HB3 ALA 1 2HB ALA 1 -13.793 7.291 6.427 6 H ALA 2 H ALA 2 -10.877 9.685 8.200 7 HA ALA 2 HA ALA 2 -12.183 11.036 10.421 8 HB1 ALA 2 3HB ALA 2 -9.275 10.091 10.501 9 HB2 ALA 2 1HB ALA 2 -10.047 11.206 11.678 10 HB3 ALA 2 2HB ALA 2 -10.613 9.507 11.546 11 H VAL 3 H VAL 3 -10.770 13.170 10.911 12 HA VAL 3 HA VAL 3 -10.744 14.561 8.451 13 HB VAL 3 HB VAL 3 -9.973 16.480 9.824 14 HG11 VAL 3 1HG1 VAL 3 -11.894 16.568 11.382 15 HG12 VAL 3 2HG1 VAL 3 -12.366 15.920 9.775 16 HG13 VAL 3 3HG1 VAL 3 -12.145 14.803 11.165 17 HG21 VAL 3 3HG2 VAL 3 -8.412 15.278 11.296 18 HG22 VAL 3 1HG2 VAL 3 -9.617 16.199 12.258 19 HG23 VAL 3 2HG2 VAL 3 -9.785 14.421 12.072 20 H ARG 4 H ARG 4 -8.370 12.559 10.015 21 HA ARG 4 HA ARG 4 -6.134 14.224 9.194 22 HB2 ARG 4 2HB ARG 4 -6.192 11.588 10.686 23 HB3 ARG 4 3HB ARG 4 -4.756 12.564 10.352 24 HG2 ARG 4 2HG ARG 4 -5.759 14.440 11.671 25 HG3 ARG 4 3HG ARG 4 -7.145 13.408 12.048 26 HD2 ARG 4 2HD ARG 4 -5.646 11.809 13.158 27 HD3 ARG 4 3HD ARG 4 -4.266 12.852 12.790 28 HE ARG 4 HE ARG 4 -6.178 14.384 14.205 29 HH11 ARG 4 1HH1 ARG 4 -4.047 11.647 14.768 30 HH12 ARG 4 2HH1 ARG 4 -3.836 12.010 16.448 31 HH21 ARG 4 1HH2 ARG 4 -5.908 14.831 16.362 32 HH22 ARG 4 2HH2 ARG 4 -4.905 13.838 17.365 33 H LYS 5 H LYS 5 -6.345 14.087 6.853 34 HA LYS 5 HA LYS 5 -6.229 11.393 5.726 35 HB2 LYS 5 2HB LYS 5 -6.556 14.149 4.446 36 HB3 LYS 5 3HB LYS 5 -6.593 12.608 3.577 37 HG2 LYS 5 2HG LYS 5 -8.576 13.506 5.727 38 HG3 LYS 5 3HG LYS 5 -8.870 13.477 3.984 39 HD2 LYS 5 2HD LYS 5 -8.381 10.965 4.029 40 HD3 LYS 5 3HD LYS 5 -8.323 11.068 5.793 41 HE2 LYS 5 2HE LYS 5 -10.674 12.126 5.686 42 HE3 LYS 5 3HE LYS 5 -10.704 11.682 3.975 43 HZ1 LYS 5 3HZ LYS 5 -10.248 9.745 6.152 44 HZ2 LYS 5 1HZ LYS 5 -11.705 10.028 5.471 45 HZ3 LYS 5 2HZ LYS 5 -10.493 9.404 4.574 46 H ILE 6 H ILE 6 -4.545 10.715 4.260 47 HA ILE 6 HA ILE 6 -2.327 12.600 3.968 48 HB ILE 6 HB ILE 6 -0.710 10.720 4.295 49 HG12 ILE 6 2HG1 ILE 6 -3.115 9.186 5.388 50 HG13 ILE 6 3HG1 ILE 6 -2.418 8.913 3.786 51 HG21 ILE 6 1HG2 ILE 6 -0.880 10.624 6.761 52 HG22 ILE 6 2HG2 ILE 6 -1.184 12.279 6.133 53 HG23 ILE 6 3HG2 ILE 6 -2.559 11.254 6.666 54 HD11 ILE 6 3HD1 ILE 6 -0.959 8.580 6.446 55 HD12 ILE 6 1HD1 ILE 6 -1.593 7.262 5.403 56 HD13 ILE 6 2HD1 ILE 6 -0.251 8.303 4.819 57 H HIS 7 H HIS 7 -0.931 12.102 2.051 58 HA HIS 7 HA HIS 7 -2.320 10.398 0.097 59 HB2 HIS 7 2HB HIS 7 -0.194 12.577 -0.203 60 HB3 HIS 7 3HB HIS 7 -0.769 11.565 -1.534 61 HD2 HIS 7 HD2 HIS 7 -1.804 14.756 0.395 62 HE1 HIS 7 HE1 HIS 7 -5.028 13.747 -2.235 63 H VAL 8 H VAL 8 -1.247 8.644 -0.910 64 HA VAL 8 HA VAL 8 1.410 8.053 0.199 65 HB VAL 8 HB VAL 8 -0.930 6.138 -0.279 66 HG11 VAL 8 1HG1 VAL 8 0.597 4.369 0.534 67 HG12 VAL 8 2HG1 VAL 8 1.188 5.115 -0.989 68 HG13 VAL 8 3HG1 VAL 8 1.942 5.558 0.580 69 HG21 VAL 8 3HG2 VAL 8 -1.090 7.421 1.811 70 HG22 VAL 8 1HG2 VAL 8 -0.715 5.697 2.146 71 HG23 VAL 8 2HG2 VAL 8 0.582 6.934 2.252 72 H THR 9 H THR 9 2.969 7.487 -1.326 73 HA THR 9 HA THR 9 2.043 7.255 -4.080 74 HB THR 9 HB THR 9 4.846 7.556 -2.878 75 HG1 THR 9 HG1 THR 9 4.642 9.702 -3.849 76 HG21 THR 9 3HG2 THR 9 3.907 7.599 -5.790 77 HG22 THR 9 1HG2 THR 9 5.569 7.963 -5.215 78 HG23 THR 9 2HG2 THR 9 4.890 6.313 -5.012 79 H VAL 10 H VAL 10 1.709 5.218 -4.919 80 HA VAL 10 HA VAL 10 3.177 3.029 -3.617 81 HB VAL 10 HB VAL 10 0.501 2.968 -5.104 82 HG11 VAL 10 1HG1 VAL 10 0.337 0.665 -4.209 83 HG12 VAL 10 2HG1 VAL 10 1.758 0.863 -5.290 84 HG13 VAL 10 3HG1 VAL 10 1.982 0.825 -3.508 85 HG21 VAL 10 3HG2 VAL 10 0.325 4.163 -2.963 86 HG22 VAL 10 1HG2 VAL 10 -0.488 2.564 -2.871 87 HG23 VAL 10 2HG2 VAL 10 1.127 2.795 -2.120 88 H LYS 11 H LYS 11 4.619 1.871 -4.891 89 HA LYS 11 HA LYS 11 4.623 2.634 -7.742 90 HB2 LYS 11 2HB LYS 11 6.894 1.994 -5.804 91 HB3 LYS 11 3HB LYS 11 7.107 2.184 -7.549 92 HG2 LYS 11 2HG LYS 11 6.249 4.531 -7.388 93 HG3 LYS 11 3HG LYS 11 6.067 4.337 -5.640 94 HD2 LYS 11 2HD LYS 11 8.449 4.070 -5.318 95 HD3 LYS 11 3HD LYS 11 8.735 3.855 -7.050 96 HE2 LYS 11 2HE LYS 11 7.998 6.203 -7.472 97 HE3 LYS 11 3HE LYS 11 7.685 6.421 -5.745 98 HZ1 LYS 11 3HZ LYS 11 10.340 5.577 -6.644 99 HZ2 LYS 11 1HZ LYS 11 9.917 7.153 -6.716 100 HZ3 LYS 11 2HZ LYS 11 9.922 6.373 -5.281 101 H PHE 12 H PHE 12 4.203 0.981 -9.159 102 HA PHE 12 HA PHE 12 4.983 -1.729 -8.300 103 HB2 PHE 12 2HB PHE 12 3.169 -0.919 -10.622 104 HB3 PHE 12 3HB PHE 12 3.397 -2.538 -9.948 105 HD1 PHE 12 HD1 PHE 12 2.426 0.899 -8.735 106 HD2 PHE 12 HD2 PHE 12 1.720 -3.335 -8.575 107 HE1 PHE 12 HE1 PHE 12 0.530 1.275 -7.189 108 HE2 PHE 12 HE2 PHE 12 -0.180 -2.962 -7.032 109 HZ PHE 12 HZ PHE 12 -0.784 -0.655 -6.340 110 HA PRO 13 HA PRO 13 8.078 -1.960 -11.479 111 HB2 PRO 13 2HB PRO 13 7.574 -4.476 -12.572 112 HB3 PRO 13 3HB PRO 13 8.326 -4.292 -10.982 113 HG2 PRO 13 2HG PRO 13 5.411 -4.808 -11.666 114 HG3 PRO 13 3HG PRO 13 6.419 -5.592 -10.441 115 HD2 PRO 13 2HD PRO 13 4.685 -3.630 -9.736 116 HD3 PRO 13 3HD PRO 13 6.258 -3.756 -8.937 117 H SER 14 H SER 14 4.669 -2.367 -12.397 118 HA SER 14 HA SER 14 5.433 -2.007 -15.209 119 HB2 SER 14 2HB SER 14 3.128 -2.644 -15.671 120 HB3 SER 14 3HB SER 14 3.885 -3.843 -14.613 121 HG SER 14 HG SER 14 1.754 -3.265 -13.917 122 H LYS 15 H LYS 15 4.104 -0.262 -12.423 123 HA LYS 15 HA LYS 15 3.899 2.160 -13.890 124 HB2 LYS 15 2HB LYS 15 1.856 1.045 -14.742 125 HB3 LYS 15 3HB LYS 15 1.312 0.746 -13.086 126 HG2 LYS 15 2HG LYS 15 1.096 3.164 -12.672 127 HG3 LYS 15 3HG LYS 15 1.768 3.530 -14.267 128 HD2 LYS 15 2HD LYS 15 -0.150 2.266 -15.323 129 HD3 LYS 15 3HD LYS 15 -0.837 2.015 -13.713 130 HE2 LYS 15 2HE LYS 15 -0.954 4.494 -13.378 131 HE3 LYS 15 3HE LYS 15 -0.270 4.743 -14.990 132 HZ1 LYS 15 3HZ LYS 15 -2.826 3.382 -14.418 133 HZ2 LYS 15 1HZ LYS 15 -2.659 4.895 -15.010 134 HZ3 LYS 15 2HZ LYS 15 -2.195 3.612 -15.906 135 H GLN 16 H GLN 16 3.489 3.987 -12.469 136 HA GLN 16 HA GLN 16 3.186 3.241 -9.633 137 HB2 GLN 16 2HB GLN 16 4.922 5.497 -10.754 138 HB3 GLN 16 3HB GLN 16 4.735 5.053 -9.052 139 HG2 GLN 16 2HG GLN 16 5.848 2.906 -9.431 140 HG3 GLN 16 3HG GLN 16 5.908 3.198 -11.174 141 HE21 GLN 16 1HE2 GLN 16 8.255 2.631 -10.074 142 HE22 GLN 16 2HE2 GLN 16 9.257 4.032 -9.893 143 H PHE 17 H PHE 17 2.014 4.791 -8.314 144 HA PHE 17 HA PHE 17 1.000 7.194 -9.469 145 HB2 PHE 17 2HB PHE 17 -1.386 6.539 -9.437 146 HB3 PHE 17 3HB PHE 17 -0.469 5.659 -10.667 147 HD1 PHE 17 HD1 PHE 17 -2.083 5.384 -7.331 148 HD2 PHE 17 HD2 PHE 17 -0.215 3.272 -10.573 149 HE1 PHE 17 HE1 PHE 17 -2.882 3.237 -6.393 150 HE2 PHE 17 HE2 PHE 17 -1.021 1.127 -9.637 151 HZ PHE 17 HZ PHE 17 -2.355 1.106 -7.546 152 H THR 18 H THR 18 -0.724 8.186 -7.894 153 HA THR 18 HA THR 18 0.078 7.394 -5.180 154 HB THR 18 HB THR 18 -0.401 9.744 -4.536 155 HG1 THR 18 HG1 THR 18 -0.784 11.287 -6.284 156 HG21 THR 18 3HG2 THR 18 1.474 9.500 -6.939 157 HG22 THR 18 1HG2 THR 18 1.496 10.815 -5.715 158 HG23 THR 18 2HG2 THR 18 1.886 9.130 -5.230 159 H VAL 19 H VAL 19 -1.584 7.534 -3.468 160 HA VAL 19 HA VAL 19 -4.316 7.664 -4.531 161 HB VAL 19 HB VAL 19 -4.941 5.856 -2.923 162 HG11 VAL 19 1HG1 VAL 19 -3.964 3.977 -4.206 163 HG12 VAL 19 2HG1 VAL 19 -4.499 5.314 -5.280 164 HG13 VAL 19 3HG1 VAL 19 -2.753 5.098 -4.916 165 HG21 VAL 19 3HG2 VAL 19 -3.107 6.143 -1.314 166 HG22 VAL 19 1HG2 VAL 19 -3.165 4.455 -1.923 167 HG23 VAL 19 2HG2 VAL 19 -1.923 5.593 -2.546 168 H GLU 20 H GLU 20 -5.973 8.195 -2.807 169 HA GLU 20 HA GLU 20 -4.732 9.810 -0.676 170 HB2 GLU 20 2HB GLU 20 -6.138 11.039 -2.310 171 HB3 GLU 20 3HB GLU 20 -7.494 9.953 -1.979 172 HG2 GLU 20 2HG GLU 20 -7.552 10.743 0.387 173 HG3 GLU 20 3HG GLU 20 -6.193 11.826 0.060 174 H VAL 21 H VAL 21 -4.847 9.006 1.379 175 HA VAL 21 HA VAL 21 -7.089 7.223 1.982 176 HB VAL 21 HB VAL 21 -5.508 5.709 3.202 177 HG11 VAL 21 1HG1 VAL 21 -4.593 4.590 1.193 178 HG12 VAL 21 2HG1 VAL 21 -6.285 5.136 0.942 179 HG13 VAL 21 3HG1 VAL 21 -4.925 6.065 0.225 180 HG21 VAL 21 3HG2 VAL 21 -3.673 7.306 3.553 181 HG22 VAL 21 1HG2 VAL 21 -3.089 5.839 2.698 182 HG23 VAL 21 2HG2 VAL 21 -3.365 7.361 1.785 183 H ASP 22 H ASP 22 -6.977 6.697 4.531 184 HA ASP 22 HA ASP 22 -6.390 9.255 5.865 185 HB2 ASP 22 2HB ASP 22 -8.748 8.155 5.834 186 HB3 ASP 22 3HB ASP 22 -8.065 6.943 6.926 187 H ARG 23 H ARG 23 -5.037 9.342 7.695 188 HA ARG 23 HA ARG 23 -3.060 7.314 7.760 189 HB2 ARG 23 2HB ARG 23 -1.900 8.659 9.253 190 HB3 ARG 23 3HB ARG 23 -2.720 9.777 8.155 191 HG2 ARG 23 2HG ARG 23 -4.539 10.027 9.918 192 HG3 ARG 23 3HG ARG 23 -3.518 9.085 11.012 193 HD2 ARG 23 2HD ARG 23 -2.768 11.703 9.696 194 HD3 ARG 23 3HD ARG 23 -3.341 11.502 11.357 195 HE ARG 23 HE ARG 23 -1.154 9.876 11.284 196 HH11 ARG 23 1HH1 ARG 23 -1.631 13.217 10.306 197 HH12 ARG 23 2HH1 ARG 23 -0.010 13.684 10.699 198 HH21 ARG 23 1HH2 ARG 23 0.922 10.485 11.773 199 HH22 ARG 23 2HH2 ARG 23 1.457 12.116 11.541 200 H THR 24 H THR 24 -6.120 7.759 9.457 201 HA THR 24 HA THR 24 -5.216 6.111 11.675 202 HB THR 24 HB THR 24 -7.387 6.627 12.680 203 HG1 THR 24 HG1 THR 24 -7.947 7.967 10.154 204 HG21 THR 24 3HG2 THR 24 -6.164 9.092 11.344 205 HG22 THR 24 1HG2 THR 24 -7.234 9.098 12.787 206 HG23 THR 24 2HG2 THR 24 -5.612 8.332 12.875 207 H GLU 25 H GLU 25 -6.594 5.681 8.534 208 HA GLU 25 HA GLU 25 -8.130 3.339 9.199 209 HB2 GLU 25 2HB GLU 25 -7.121 4.618 6.627 210 HB3 GLU 25 3HB GLU 25 -7.925 3.043 6.631 211 HG2 GLU 25 2HG GLU 25 -9.235 5.478 7.906 212 HG3 GLU 25 3HG GLU 25 -9.344 5.183 6.166 213 H THR 26 H THR 26 -7.563 1.128 8.437 214 HA THR 26 HA THR 26 -4.856 0.552 9.149 215 HB THR 26 HB THR 26 -5.538 -1.808 8.844 216 HG1 THR 26 HG1 THR 26 -7.878 -2.125 8.270 217 HG21 THR 26 3HG2 THR 26 -7.659 -0.117 10.258 218 HG22 THR 26 1HG2 THR 26 -7.361 -1.869 10.521 219 HG23 THR 26 2HG2 THR 26 -6.099 -0.667 10.959 220 H VAL 27 H VAL 27 -3.512 -1.038 7.744 221 HA VAL 27 HA VAL 27 -2.993 0.264 5.326 222 HB VAL 27 HB VAL 27 -1.365 -1.062 6.768 223 HG11 VAL 27 1HG1 VAL 27 -1.204 -3.499 6.348 224 HG12 VAL 27 2HG1 VAL 27 -2.762 -3.056 7.123 225 HG13 VAL 27 3HG1 VAL 27 -2.706 -3.424 5.366 226 HG21 VAL 27 3HG2 VAL 27 -0.781 -0.304 4.504 227 HG22 VAL 27 1HG2 VAL 27 -0.063 -1.915 4.843 228 HG23 VAL 27 2HG2 VAL 27 -1.522 -1.782 3.804 229 H SER 28 H SER 28 -5.246 -2.332 6.155 230 HA SER 28 HA SER 28 -5.354 -3.577 3.615 231 HB2 SER 28 2HB SER 28 -7.329 -4.623 4.464 232 HB3 SER 28 3HB SER 28 -6.195 -4.490 5.815 233 HG SER 28 HG SER 28 -7.338 -2.591 6.513 234 H SER 29 H SER 29 -6.790 -0.577 4.947 235 HA SER 29 HA SER 29 -8.674 -0.217 2.853 236 HB2 SER 29 2HB SER 29 -7.235 1.724 4.714 237 HB3 SER 29 3HB SER 29 -8.550 2.178 3.622 238 HG SER 29 HG SER 29 -9.354 1.739 5.715 239 H LEU 30 H LEU 30 -5.189 0.732 3.292 240 HA LEU 30 HA LEU 30 -4.953 2.100 0.847 241 HB2 LEU 30 2HB LEU 30 -3.277 2.216 2.630 242 HB3 LEU 30 3HB LEU 30 -2.975 0.477 2.517 243 HG LEU 30 HG LEU 30 -2.097 0.807 0.178 244 HD11 LEU 30 1HD1 LEU 30 -1.592 3.102 -0.573 245 HD12 LEU 30 2HD1 LEU 30 -3.358 2.848 -0.372 246 HD13 LEU 30 3HD1 LEU 30 -2.435 3.762 0.869 247 HD21 LEU 30 3HD2 LEU 30 -0.594 0.738 2.136 248 HD22 LEU 30 1HD2 LEU 30 0.016 1.879 0.891 249 HD23 LEU 30 2HD2 LEU 30 -0.800 2.508 2.363 250 H LYS 31 H LYS 31 -4.690 -1.427 1.692 251 HA LYS 31 HA LYS 31 -3.826 -2.238 -0.862 252 HB2 LYS 31 2HB LYS 31 -5.342 -3.644 1.384 253 HB3 LYS 31 3HB LYS 31 -4.798 -4.470 -0.082 254 HG2 LYS 31 2HG LYS 31 -2.432 -3.830 0.461 255 HG3 LYS 31 3HG LYS 31 -2.997 -3.061 1.950 256 HD2 LYS 31 2HD LYS 31 -3.931 -5.241 2.731 257 HD3 LYS 31 3HD LYS 31 -3.393 -6.015 1.235 258 HE2 LYS 31 2HE LYS 31 -1.018 -5.366 1.790 259 HE3 LYS 31 3HE LYS 31 -1.586 -4.682 3.319 260 HZ1 LYS 31 3HZ LYS 31 -1.896 -7.505 2.518 261 HZ2 LYS 31 1HZ LYS 31 -0.780 -6.935 3.565 262 HZ3 LYS 31 2HZ LYS 31 -2.366 -6.864 3.944 263 H ASP 32 H ASP 32 -7.114 -1.667 0.556 264 HA ASP 32 HA ASP 32 -8.575 -2.740 -1.581 265 HB2 ASP 32 2HB ASP 32 -9.108 -0.539 0.460 266 HB3 ASP 32 3HB ASP 32 -10.310 -1.007 -0.750 267 H LYS 33 H LYS 33 -7.188 0.584 -1.044 268 HA LYS 33 HA LYS 33 -8.303 1.735 -3.341 269 HB2 LYS 33 2HB LYS 33 -5.754 2.284 -1.754 270 HB3 LYS 33 3HB LYS 33 -6.281 3.296 -3.106 271 HG2 LYS 33 2HG LYS 33 -7.957 2.760 -0.604 272 HG3 LYS 33 3HG LYS 33 -6.919 4.174 -0.828 273 HD2 LYS 33 2HD LYS 33 -8.218 4.771 -2.903 274 HD3 LYS 33 3HD LYS 33 -9.280 3.386 -2.617 275 HE2 LYS 33 2HE LYS 33 -9.899 4.345 -0.376 276 HE3 LYS 33 3HE LYS 33 -8.870 5.745 -0.705 277 HZ1 LYS 33 3HZ LYS 33 -11.210 4.940 -2.310 278 HZ2 LYS 33 1HZ LYS 33 -11.159 6.182 -1.252 279 HZ3 LYS 33 2HZ LYS 33 -10.260 6.232 -2.614 280 H ILE 34 H ILE 34 -5.185 -0.086 -2.834 281 HA ILE 34 HA ILE 34 -4.266 0.231 -5.451 282 HB ILE 34 HB ILE 34 -3.848 -1.946 -3.349 283 HG12 ILE 34 2HG1 ILE 34 -1.943 0.195 -4.391 284 HG13 ILE 34 3HG1 ILE 34 -3.006 0.445 -3.000 285 HG21 ILE 34 1HG2 ILE 34 -1.954 -2.734 -4.732 286 HG22 ILE 34 2HG2 ILE 34 -3.527 -2.936 -5.574 287 HG23 ILE 34 3HG2 ILE 34 -2.431 -1.589 -6.030 288 HD11 ILE 34 3HD1 ILE 34 -0.861 -1.712 -3.239 289 HD12 ILE 34 1HD1 ILE 34 -0.749 -0.195 -2.284 290 HD13 ILE 34 2HD1 ILE 34 -1.940 -1.458 -1.826 291 H HIS 35 H HIS 35 -6.540 -2.167 -3.953 292 HA HIS 35 HA HIS 35 -6.582 -3.899 -6.186 293 HB2 HIS 35 2HB HIS 35 -7.269 -4.595 -3.926 294 HB3 HIS 35 3HB HIS 35 -8.578 -3.406 -3.922 295 HD2 HIS 35 HD2 HIS 35 -10.948 -4.607 -4.519 296 HE1 HIS 35 HE1 HIS 35 -9.443 -7.712 -7.054 297 H ILE 36 H ILE 36 -8.422 -0.920 -5.311 298 HA ILE 36 HA ILE 36 -10.398 -1.276 -7.301 299 HB ILE 36 HB ILE 36 -9.369 1.152 -5.759 300 HG12 ILE 36 2HG1 ILE 36 -12.045 -0.303 -5.615 301 HG13 ILE 36 3HG1 ILE 36 -10.657 -0.738 -4.609 302 HG21 ILE 36 1HG2 ILE 36 -11.337 2.375 -6.624 303 HG22 ILE 36 2HG2 ILE 36 -10.205 1.914 -7.940 304 HG23 ILE 36 3HG2 ILE 36 -11.723 0.987 -7.696 305 HD11 ILE 36 3HD1 ILE 36 -12.034 1.986 -4.666 306 HD12 ILE 36 1HD1 ILE 36 -12.205 0.729 -3.394 307 HD13 ILE 36 2HD1 ILE 36 -10.624 1.544 -3.644 308 H VAL 37 H VAL 37 -7.213 0.497 -7.197 309 HA VAL 37 HA VAL 37 -7.689 1.717 -9.726 310 HB VAL 37 HB VAL 37 -5.190 1.427 -7.986 311 HG11 VAL 37 1HG1 VAL 37 -4.196 3.186 -9.419 312 HG12 VAL 37 2HG1 VAL 37 -4.546 1.687 -10.345 313 HG13 VAL 37 3HG1 VAL 37 -5.630 3.110 -10.498 314 HG21 VAL 37 3HG2 VAL 37 -6.985 2.787 -6.999 315 HG22 VAL 37 1HG2 VAL 37 -5.600 3.819 -7.493 316 HG23 VAL 37 2HG2 VAL 37 -7.086 3.767 -8.500 317 H GLU 38 H GLU 38 -5.676 -1.086 -8.538 318 HA GLU 38 HA GLU 38 -4.897 -1.598 -11.318 319 HB2 GLU 38 2HB GLU 38 -3.920 -2.648 -8.622 320 HB3 GLU 38 3HB GLU 38 -3.374 -3.298 -10.174 321 HG2 GLU 38 2HG GLU 38 -3.033 -0.405 -9.240 322 HG3 GLU 38 3HG GLU 38 -1.776 -1.649 -9.226 323 H ASN 39 H ASN 39 -5.327 -3.610 -12.363 324 HA ASN 39 HA ASN 39 -7.719 -4.882 -11.346 325 HB2 ASN 39 2HB ASN 39 -6.125 -5.171 -13.918 326 HB3 ASN 39 3HB ASN 39 -7.554 -6.140 -13.537 327 HD21 ASN 39 1HD2 ASN 39 -7.152 -4.324 -15.717 328 HD22 ASN 39 2HD2 ASN 39 -8.437 -3.167 -15.618 329 H THR 40 H THR 40 -6.212 -5.658 -9.398 330 HA THR 40 HA THR 40 -5.571 -8.405 -10.007 331 HB THR 40 HB THR 40 -3.423 -7.178 -10.433 332 HG1 THR 40 HG1 THR 40 -2.173 -8.515 -8.937 333 HG21 THR 40 3HG2 THR 40 -3.671 -6.430 -7.478 334 HG22 THR 40 1HG2 THR 40 -2.231 -6.156 -8.517 335 HG23 THR 40 2HG2 THR 40 -3.770 -5.300 -8.870 336 HA PRO 41 HA PRO 41 -7.341 -8.721 -5.946 337 HB2 PRO 41 2HB PRO 41 -6.549 -11.333 -5.390 338 HB3 PRO 41 3HB PRO 41 -7.848 -10.989 -6.540 339 HG2 PRO 41 2HG PRO 41 -4.917 -11.566 -7.090 340 HG3 PRO 41 3HG PRO 41 -6.347 -12.218 -7.901 341 HD2 PRO 41 2HD PRO 41 -4.937 -10.181 -9.015 342 HD3 PRO 41 3HD PRO 41 -6.698 -10.242 -9.171 343 H ILE 42 H ILE 42 -6.870 -8.609 -3.755 344 HA ILE 42 HA ILE 42 -4.377 -7.454 -3.268 345 HB ILE 42 HB ILE 42 -6.585 -8.498 -1.435 346 HG12 ILE 42 2HG1 ILE 42 -5.672 -5.659 -2.086 347 HG13 ILE 42 3HG1 ILE 42 -6.977 -6.493 -2.940 348 HG21 ILE 42 1HG2 ILE 42 -5.461 -7.295 0.407 349 HG22 ILE 42 2HG2 ILE 42 -4.454 -8.642 -0.224 350 HG23 ILE 42 3HG2 ILE 42 -4.070 -6.946 -0.674 351 HD11 ILE 42 3HD1 ILE 42 -6.917 -5.865 0.047 352 HD12 ILE 42 1HD1 ILE 42 -7.867 -4.999 -1.208 353 HD13 ILE 42 2HD1 ILE 42 -8.242 -6.712 -0.820 354 H LYS 43 H LYS 43 -5.596 -10.820 -2.877 355 HA LYS 43 HA LYS 43 -3.543 -11.695 -1.149 356 HB2 LYS 43 2HB LYS 43 -5.374 -13.124 -3.128 357 HB3 LYS 43 3HB LYS 43 -4.246 -13.974 -2.063 358 HG2 LYS 43 2HG LYS 43 -5.397 -13.015 -0.071 359 HG3 LYS 43 3HG LYS 43 -6.518 -12.150 -1.130 360 HD2 LYS 43 2HD LYS 43 -7.300 -14.324 -2.086 361 HD3 LYS 43 3HD LYS 43 -6.171 -15.194 -1.039 362 HE2 LYS 43 2HE LYS 43 -7.310 -14.267 0.977 363 HE3 LYS 43 3HE LYS 43 -8.427 -13.368 -0.059 364 HZ1 LYS 43 3HZ LYS 43 -8.173 -16.306 0.020 365 HZ2 LYS 43 1HZ LYS 43 -9.380 -15.433 0.686 366 HZ3 LYS 43 2HZ LYS 43 -9.203 -15.476 -0.936 367 H ARG 44 H ARG 44 -3.673 -11.101 -4.662 368 HA ARG 44 HA ARG 44 -1.258 -12.664 -5.076 369 HB2 ARG 44 2HB ARG 44 -3.066 -12.744 -6.730 370 HB3 ARG 44 3HB ARG 44 -2.900 -11.005 -7.006 371 HG2 ARG 44 2HG ARG 44 -0.619 -11.312 -7.852 372 HG3 ARG 44 3HG ARG 44 -0.676 -13.038 -7.470 373 HD2 ARG 44 2HD ARG 44 -1.021 -12.814 -9.789 374 HD3 ARG 44 3HD ARG 44 -2.564 -13.286 -9.064 375 HE ARG 44 HE ARG 44 -2.347 -10.425 -9.367 376 HH11 ARG 44 1HH1 ARG 44 -3.019 -13.383 -11.143 377 HH12 ARG 44 2HH1 ARG 44 -4.021 -12.589 -12.312 378 HH21 ARG 44 1HH2 ARG 44 -3.625 -9.419 -10.878 379 HH22 ARG 44 2HH2 ARG 44 -4.369 -10.314 -12.161 380 H MET 45 H MET 45 -2.327 -9.214 -4.866 381 HA MET 45 HA MET 45 0.214 -8.174 -5.638 382 HB2 MET 45 2HB MET 45 -1.943 -6.941 -5.812 383 HB3 MET 45 3HB MET 45 -2.097 -6.959 -4.050 384 HG2 MET 45 2HG MET 45 0.352 -5.738 -5.365 385 HG3 MET 45 3HG MET 45 -1.161 -4.828 -5.266 386 HE1 MET 45 3HE MET 45 -2.214 -5.549 -1.880 387 HE2 MET 45 1HE MET 45 -1.734 -3.819 -1.860 388 HE3 MET 45 2HE MET 45 -2.483 -4.526 -3.331 389 H GLN 46 H GLN 46 2.063 -7.904 -4.438 390 HA GLN 46 HA GLN 46 1.827 -8.411 -1.548 391 HB2 GLN 46 2HB GLN 46 3.344 -9.899 -2.844 392 HB3 GLN 46 3HB GLN 46 4.230 -8.490 -3.442 393 HG2 GLN 46 2HG GLN 46 4.969 -7.932 -1.166 394 HG3 GLN 46 3HG GLN 46 3.989 -9.241 -0.492 395 HE21 GLN 46 1HE2 GLN 46 6.470 -9.437 0.256 396 HE22 GLN 46 2HE2 GLN 46 7.376 -10.615 -0.635 397 H LEU 47 H LEU 47 2.091 -6.714 -0.134 398 HA LEU 47 HA LEU 47 3.130 -4.209 -1.312 399 HB2 LEU 47 2HB LEU 47 0.660 -4.233 -0.945 400 HB3 LEU 47 3HB LEU 47 0.921 -4.630 0.758 401 HG LEU 47 HG LEU 47 2.205 -2.432 0.991 402 HD11 LEU 47 1HD1 LEU 47 1.827 -0.730 -0.757 403 HD12 LEU 47 2HD1 LEU 47 2.757 -2.130 -1.390 404 HD13 LEU 47 3HD1 LEU 47 1.012 -1.960 -1.781 405 HD21 LEU 47 3HD2 LEU 47 -0.137 -2.716 1.720 406 HD22 LEU 47 1HD2 LEU 47 0.138 -1.073 1.049 407 HD23 LEU 47 2HD2 LEU 47 -0.707 -2.315 0.065 408 H TYR 48 H TYR 48 4.994 -3.504 -0.370 409 HA TYR 48 HA TYR 48 5.315 -3.992 2.505 410 HB2 TYR 48 2HB TYR 48 7.732 -4.559 2.052 411 HB3 TYR 48 3HB TYR 48 6.575 -5.794 1.537 412 HD1 TYR 48 HD1 TYR 48 6.052 -6.078 -0.899 413 HD2 TYR 48 HD2 TYR 48 9.131 -3.412 0.456 414 HE1 TYR 48 HE1 TYR 48 7.010 -6.034 -3.180 415 HE2 TYR 48 HE2 TYR 48 10.095 -3.362 -1.826 416 HH TYR 48 HH TYR 48 9.257 -5.606 -4.231 417 H TYR 49 H TYR 49 6.764 -2.447 3.561 418 HA TYR 49 HA TYR 49 7.143 -0.024 1.922 419 HB2 TYR 49 2HB TYR 49 5.145 0.345 3.205 420 HB3 TYR 49 3HB TYR 49 5.848 -0.376 4.659 421 HD1 TYR 49 HD1 TYR 49 6.799 2.372 2.241 422 HD2 TYR 49 HD2 TYR 49 6.368 1.142 6.330 423 HE1 TYR 49 HE1 TYR 49 7.544 4.610 2.988 424 HE2 TYR 49 HE2 TYR 49 7.111 3.377 7.085 425 HH TYR 49 HH TYR 49 7.786 5.396 6.496 426 H SER 50 H SER 50 9.089 1.064 2.222 427 HA SER 50 HA SER 50 11.312 0.016 3.288 428 HB2 SER 50 2HB SER 50 11.199 2.139 2.047 429 HB3 SER 50 3HB SER 50 10.389 2.923 3.410 430 HG SER 50 HG SER 50 12.662 3.353 3.363 431 H GLY 51 H GLY 51 12.217 -0.442 5.287 432 HA2 GLY 51 2HA GLY 51 12.425 -0.325 7.573 433 HA3 GLY 51 3HA GLY 51 10.981 0.691 7.671 434 H ILE 52 H ILE 52 8.893 -0.278 7.913 435 HA ILE 52 HA ILE 52 9.070 -3.069 8.715 436 HB ILE 52 HB ILE 52 6.887 -0.953 9.082 437 HG12 ILE 52 2HG1 ILE 52 8.754 -2.237 11.129 438 HG13 ILE 52 3HG1 ILE 52 9.068 -0.678 10.357 439 HG21 ILE 52 1HG2 ILE 52 5.835 -2.587 10.610 440 HG22 ILE 52 2HG2 ILE 52 5.917 -3.204 8.926 441 HG23 ILE 52 3HG2 ILE 52 7.077 -3.803 10.160 442 HD11 ILE 52 3HD1 ILE 52 6.642 -1.357 12.079 443 HD12 ILE 52 1HD1 ILE 52 8.065 -0.380 12.576 444 HD13 ILE 52 2HD1 ILE 52 6.961 0.227 11.295 445 H GLU 53 H GLU 53 8.179 -4.738 7.512 446 HA GLU 53 HA GLU 53 6.986 -4.154 4.988 447 HB2 GLU 53 2HB GLU 53 8.411 -6.141 5.435 448 HB3 GLU 53 3HB GLU 53 7.220 -6.745 6.593 449 HG2 GLU 53 2HG GLU 53 5.538 -6.951 4.770 450 HG3 GLU 53 3HG GLU 53 6.712 -6.322 3.607 451 H LEU 54 H LEU 54 4.810 -4.225 4.346 452 HA LEU 54 HA LEU 54 2.986 -3.800 6.566 453 HB2 LEU 54 2HB LEU 54 2.550 -3.591 3.548 454 HB3 LEU 54 3HB LEU 54 1.479 -2.976 4.814 455 HG LEU 54 HG LEU 54 4.304 -1.963 4.196 456 HD11 LEU 54 1HD1 LEU 54 3.120 0.090 3.510 457 HD12 LEU 54 2HD1 LEU 54 2.613 -1.324 2.525 458 HD13 LEU 54 3HD1 LEU 54 1.544 -0.709 3.830 459 HD21 LEU 54 3HD2 LEU 54 3.792 -1.876 6.609 460 HD22 LEU 54 1HD2 LEU 54 3.799 -0.231 5.889 461 HD23 LEU 54 2HD2 LEU 54 2.241 -1.044 6.256 462 H ALA 55 H ALA 55 3.340 -6.310 7.055 463 HA ALA 55 HA ALA 55 1.781 -7.959 5.201 464 HB1 ALA 55 3HB ALA 55 3.605 -8.654 7.554 465 HB2 ALA 55 1HB ALA 55 2.787 -9.836 6.477 466 HB3 ALA 55 2HB ALA 55 4.038 -8.731 5.813 467 H ASP 56 H ASP 56 1.383 -6.197 8.155 468 HA ASP 56 HA ASP 56 -0.636 -8.103 9.114 469 HB2 ASP 56 2HB ASP 56 1.127 -7.346 10.702 470 HB3 ASP 56 3HB ASP 56 0.653 -5.664 10.431 471 H ASP 57 H ASP 57 -2.704 -7.736 8.400 472 HA ASP 57 HA ASP 57 -3.338 -5.389 6.979 473 HB2 ASP 57 2HB ASP 57 -4.987 -7.684 8.124 474 HB3 ASP 57 3HB ASP 57 -5.712 -6.363 7.198 475 H TYR 58 H TYR 58 -3.493 -6.180 10.447 476 HA TYR 58 HA TYR 58 -5.820 -4.484 10.833 477 HB2 TYR 58 2HB TYR 58 -4.149 -6.241 12.695 478 HB3 TYR 58 3HB TYR 58 -5.546 -5.292 13.222 479 HD1 TYR 58 HD1 TYR 58 -7.834 -5.829 12.285 480 HD2 TYR 58 HD2 TYR 58 -4.427 -8.341 11.573 481 HE1 TYR 58 HE1 TYR 58 -9.341 -7.685 11.646 482 HE2 TYR 58 HE2 TYR 58 -5.929 -10.202 10.929 483 HH TYR 58 HH TYR 58 -9.506 -9.781 10.969 484 H ARG 59 H ARG 59 -2.432 -4.016 10.659 485 HA ARG 59 HA ARG 59 -2.312 -2.050 12.766 486 HB2 ARG 59 2HB ARG 59 -0.369 -2.987 10.654 487 HB3 ARG 59 3HB ARG 59 -0.051 -1.577 11.673 488 HG2 ARG 59 2HG ARG 59 -0.285 -2.998 13.703 489 HG3 ARG 59 3HG ARG 59 -0.588 -4.407 12.677 490 HD2 ARG 59 2HD ARG 59 1.644 -4.079 11.639 491 HD3 ARG 59 3HD ARG 59 1.939 -2.747 12.764 492 HE ARG 59 HE ARG 59 2.034 -5.594 13.343 493 HH11 ARG 59 1HH1 ARG 59 1.790 -2.373 14.726 494 HH12 ARG 59 2HH1 ARG 59 2.332 -2.880 16.291 495 HH21 ARG 59 1HH2 ARG 59 2.737 -6.226 15.349 496 HH22 ARG 59 2HH2 ARG 59 2.876 -5.091 16.650 497 H ASN 60 H ASN 60 -2.079 0.252 12.478 498 HA ASN 60 HA ASN 60 -3.638 1.164 10.223 499 HB2 ASN 60 2HB ASN 60 -2.477 2.600 12.640 500 HB3 ASN 60 3HB ASN 60 -3.477 3.365 11.398 501 HD21 ASN 60 1HD2 ASN 60 -3.536 2.140 14.392 502 HD22 ASN 60 2HD2 ASN 60 -5.218 1.745 14.515 503 H LEU 61 H LEU 61 -2.946 2.974 8.814 504 HA LEU 61 HA LEU 61 -0.334 2.732 7.823 505 HB2 LEU 61 2HB LEU 61 -2.433 4.940 7.602 506 HB3 LEU 61 3HB LEU 61 -0.925 4.926 6.679 507 HG LEU 61 HG LEU 61 -3.055 2.728 6.534 508 HD11 LEU 61 1HD1 LEU 61 -3.610 3.710 4.341 509 HD12 LEU 61 2HD1 LEU 61 -3.904 4.873 5.677 510 HD13 LEU 61 3HD1 LEU 61 -2.447 5.045 4.641 511 HD21 LEU 61 3HD2 LEU 61 -0.759 1.979 6.014 512 HD22 LEU 61 1HD2 LEU 61 -1.775 2.031 4.533 513 HD23 LEU 61 2HD2 LEU 61 -0.577 3.332 4.847 514 H ASN 62 H ASN 62 -1.806 5.173 10.111 515 HA ASN 62 HA ASN 62 0.580 6.602 10.495 516 HB2 ASN 62 2HB ASN 62 -1.737 7.324 11.134 517 HB3 ASN 62 3HB ASN 62 -1.694 6.156 12.462 518 HD21 ASN 62 1HD2 ASN 62 -1.003 6.838 14.339 519 HD22 ASN 62 2HD2 ASN 62 0.018 8.205 14.631 520 H GLU 63 H GLU 63 -0.700 3.552 11.941 521 HA GLU 63 HA GLU 63 1.106 3.449 14.096 522 HB2 GLU 63 2HB GLU 63 -0.993 2.101 13.839 523 HB3 GLU 63 3HB GLU 63 -0.228 1.188 12.531 524 HG2 GLU 63 2HG GLU 63 1.485 0.325 14.091 525 HG3 GLU 63 3HG GLU 63 0.816 1.302 15.405 526 H TYR 64 H TYR 64 1.408 2.576 10.618 527 HA TYR 64 HA TYR 64 3.869 1.152 11.035 528 HB2 TYR 64 2HB TYR 64 2.244 2.118 8.660 529 HB3 TYR 64 3HB TYR 64 3.910 1.572 8.423 530 HD1 TYR 64 HD1 TYR 64 4.448 -0.778 9.668 531 HD2 TYR 64 HD2 TYR 64 0.561 0.533 8.406 532 HE1 TYR 64 HE1 TYR 64 3.674 -3.130 9.619 533 HE2 TYR 64 HE2 TYR 64 -0.220 -1.814 8.356 534 HH TYR 64 HH TYR 64 0.261 -3.931 8.828 535 H GLY 65 H GLY 65 2.973 4.518 10.963 536 HA2 GLY 65 2HA GLY 65 4.371 6.314 11.142 537 HA3 GLY 65 3HA GLY 65 5.762 5.289 10.765 538 H ILE 66 H ILE 66 2.871 5.204 8.656 539 HA ILE 66 HA ILE 66 4.569 5.997 6.476 540 HB ILE 66 HB ILE 66 1.637 5.143 6.650 541 HG12 ILE 66 2HG1 ILE 66 4.038 3.695 5.447 542 HG13 ILE 66 3HG1 ILE 66 3.516 3.467 7.122 543 HG21 ILE 66 1HG2 ILE 66 1.711 4.987 4.183 544 HG22 ILE 66 2HG2 ILE 66 1.952 6.673 4.754 545 HG23 ILE 66 3HG2 ILE 66 3.357 5.705 4.191 546 HD11 ILE 66 3HD1 ILE 66 1.827 2.923 4.639 547 HD12 ILE 66 1HD1 ILE 66 2.633 1.695 5.672 548 HD13 ILE 66 2HD1 ILE 66 1.297 2.692 6.339 549 H THR 67 H THR 67 4.612 8.011 5.461 550 HA THR 67 HA THR 67 2.860 9.998 6.723 551 HB THR 67 HB THR 67 4.625 11.628 6.312 552 HG1 THR 67 HG1 THR 67 5.919 9.402 4.957 553 HG21 THR 67 3HG2 THR 67 5.786 9.034 7.444 554 HG22 THR 67 1HG2 THR 67 6.449 10.684 7.700 555 HG23 THR 67 2HG2 THR 67 4.832 10.254 8.353 556 H GLU 68 H GLU 68 3.015 12.166 5.083 557 HA GLU 68 HA GLU 68 1.473 11.346 2.829 558 HB2 GLU 68 2HB GLU 68 2.631 14.021 3.739 559 HB3 GLU 68 3HB GLU 68 1.616 13.837 2.302 560 HG2 GLU 68 2HG GLU 68 -0.260 13.027 3.684 561 HG3 GLU 68 3HG GLU 68 0.750 13.075 5.135 562 H PHE 69 H PHE 69 4.879 11.492 3.398 563 HA PHE 69 HA PHE 69 5.381 11.992 0.532 564 HB2 PHE 69 2HB PHE 69 7.225 12.284 2.954 565 HB3 PHE 69 3HB PHE 69 7.686 12.571 1.271 566 HD1 PHE 69 HD1 PHE 69 6.430 14.410 -0.026 567 HD2 PHE 69 HD2 PHE 69 6.249 13.996 4.247 568 HE1 PHE 69 HE1 PHE 69 5.680 16.760 0.170 569 HE2 PHE 69 HE2 PHE 69 5.500 16.347 4.441 570 HZ PHE 69 HZ PHE 69 5.218 17.733 2.404 571 H SER 70 H SER 70 4.991 9.478 2.746 572 HA SER 70 HA SER 70 7.354 7.971 2.274 573 HB2 SER 70 2HB SER 70 4.563 7.321 3.302 574 HB3 SER 70 3HB SER 70 5.831 6.097 3.154 575 HG SER 70 HG SER 70 6.745 6.836 4.909 576 H GLU 71 H GLU 71 7.826 6.369 0.754 577 HA GLU 71 HA GLU 71 5.757 5.939 -1.303 578 HB2 GLU 71 2HB GLU 71 8.799 5.677 -1.414 579 HB3 GLU 71 3HB GLU 71 7.701 5.226 -2.724 580 HG2 GLU 71 2HG GLU 71 6.949 7.559 -2.955 581 HG3 GLU 71 3HG GLU 71 7.922 8.045 -1.561 582 H ILE 72 H ILE 72 4.942 3.882 -1.602 583 HA ILE 72 HA ILE 72 6.244 1.782 -0.006 584 HB ILE 72 HB ILE 72 3.276 2.126 -0.687 585 HG12 ILE 72 2HG1 ILE 72 4.731 2.371 1.989 586 HG13 ILE 72 3HG1 ILE 72 4.197 3.741 1.006 587 HG21 ILE 72 1HG2 ILE 72 2.942 0.210 0.838 588 HG22 ILE 72 2HG2 ILE 72 3.951 -0.232 -0.581 589 HG23 ILE 72 3HG2 ILE 72 4.721 0.047 1.017 590 HD11 ILE 72 3HD1 ILE 72 2.387 1.603 2.215 591 HD12 ILE 72 1HD1 ILE 72 2.608 3.281 2.817 592 HD13 ILE 72 2HD1 ILE 72 1.845 2.995 1.217 593 H VAL 73 H VAL 73 6.657 -0.223 -1.036 594 HA VAL 73 HA VAL 73 6.422 0.047 -3.946 595 HB VAL 73 HB VAL 73 8.430 -1.508 -2.236 596 HG11 VAL 73 1HG1 VAL 73 9.642 -1.847 -4.368 597 HG12 VAL 73 2HG1 VAL 73 8.011 -2.599 -4.399 598 HG13 VAL 73 3HG1 VAL 73 8.300 -1.045 -5.253 599 HG21 VAL 73 3HG2 VAL 73 8.729 0.927 -2.073 600 HG22 VAL 73 1HG2 VAL 73 10.055 0.183 -3.029 601 HG23 VAL 73 2HG2 VAL 73 8.728 1.059 -3.865 602 H VAL 74 H VAL 74 5.587 -1.662 -5.212 603 HA VAL 74 HA VAL 74 4.418 -3.836 -3.619 604 HB VAL 74 HB VAL 74 3.482 -2.515 -6.218 605 HG11 VAL 74 1HG1 VAL 74 1.546 -4.053 -6.093 606 HG12 VAL 74 2HG1 VAL 74 3.093 -4.941 -6.304 607 HG13 VAL 74 3HG1 VAL 74 2.302 -4.884 -4.693 608 HG21 VAL 74 3HG2 VAL 74 3.000 -1.218 -4.186 609 HG22 VAL 74 1HG2 VAL 74 1.492 -1.910 -4.874 610 HG23 VAL 74 2HG2 VAL 74 2.247 -2.661 -3.427 611 H PHE 75 H PHE 75 4.871 -5.978 -4.207 612 HA PHE 75 HA PHE 75 6.368 -6.341 -6.721 613 HB2 PHE 75 2HB PHE 75 7.524 -7.105 -4.678 614 HB3 PHE 75 3HB PHE 75 6.122 -8.079 -4.217 615 HD1 PHE 75 HD1 PHE 75 8.785 -7.698 -6.808 616 HD2 PHE 75 HD2 PHE 75 5.810 -10.269 -5.076 617 HE1 PHE 75 HE1 PHE 75 9.690 -9.612 -8.090 618 HE2 PHE 75 HE2 PHE 75 6.720 -12.182 -6.356 619 HZ PHE 75 HZ PHE 75 8.662 -11.857 -7.866 620 H LEU 76 H LEU 76 5.521 -7.624 -8.364 621 HA LEU 76 HA LEU 76 2.748 -8.501 -7.892 622 HB2 LEU 76 2HB LEU 76 4.241 -7.746 -10.453 623 HB3 LEU 76 3HB LEU 76 2.567 -8.311 -10.383 624 HG LEU 76 HG LEU 76 3.631 -5.728 -9.122 625 HD11 LEU 76 1HD1 LEU 76 2.267 -4.628 -10.859 626 HD12 LEU 76 2HD1 LEU 76 3.544 -5.662 -11.582 627 HD13 LEU 76 3HD1 LEU 76 1.841 -6.232 -11.544 628 HD21 LEU 76 3HD2 LEU 76 1.794 -6.741 -7.819 629 HD22 LEU 76 1HD2 LEU 76 1.244 -5.259 -8.672 630 HD23 LEU 76 2HD2 LEU 76 0.805 -6.879 -9.312 631 H LYS 77 H LYS 77 2.184 -10.647 -8.135 632 HA LYS 77 HA LYS 77 4.075 -12.663 -8.384 633 HB2 LYS 77 2HB LYS 77 1.766 -12.918 -7.495 634 HB3 LYS 77 3HB LYS 77 1.107 -12.658 -9.115 635 HG2 LYS 77 2HG LYS 77 2.212 -14.721 -9.925 636 HG3 LYS 77 3HG LYS 77 2.955 -14.969 -8.340 637 HD2 LYS 77 2HD LYS 77 0.690 -15.140 -7.298 638 HD3 LYS 77 3HD LYS 77 -0.061 -14.874 -8.877 639 HE2 LYS 77 2HE LYS 77 1.040 -16.935 -9.758 640 HE3 LYS 77 3HE LYS 77 1.815 -17.198 -8.190 641 HZ1 LYS 77 3HZ LYS 77 -1.097 -17.163 -8.663 642 HZ2 LYS 77 1HZ LYS 77 -0.184 -18.494 -8.416 643 HZ3 LYS 77 2HZ LYS 77 -0.381 -17.405 -7.216 644 H SER 78 H SER 78 5.077 -13.699 -10.098 645 HA SER 78 HA SER 78 4.856 -12.387 -12.659 646 HB2 SER 78 2HB SER 78 6.751 -13.770 -13.246 647 HB3 SER 78 3HB SER 78 7.023 -13.079 -11.641 648 HG SER 78 HG SER 78 7.551 -15.330 -11.738 649 H ILE 79 H ILE 79 4.584 -13.632 -14.722 650 HA ILE 79 HA ILE 79 3.294 -14.827 -16.038 651 HB ILE 79 HB ILE 79 3.529 -16.987 -13.880 652 HG12 ILE 79 2HG1 ILE 79 5.358 -16.270 -16.221 653 HG13 ILE 79 3HG1 ILE 79 5.742 -16.131 -14.500 654 HG21 ILE 79 1HG2 ILE 79 3.231 -18.551 -15.772 655 HG22 ILE 79 2HG2 ILE 79 1.813 -17.467 -15.570 656 HG23 ILE 79 3HG2 ILE 79 3.000 -17.157 -16.882 657 HD11 ILE 79 3HD1 ILE 79 5.178 -18.730 -15.996 658 HD12 ILE 79 1HD1 ILE 79 6.787 -18.122 -15.482 659 HD13 ILE 79 2HD1 ILE 79 5.568 -18.589 -14.249 660 H ASN 80 H ASN 80 1.761 -13.032 -14.551 661 HA ASN 80 HA ASN 80 -0.368 -14.594 -13.294 662 HB2 ASN 80 2HB ASN 80 -1.076 -12.508 -12.303 663 HB3 ASN 80 3HB ASN 80 0.647 -12.765 -11.998 664 HD21 ASN 80 1HD2 ASN 80 0.452 -10.446 -11.522 665 HD22 ASN 80 2HD2 ASN 80 0.781 -9.347 -12.820 666 H ARG 81 H ARG 81 -2.544 -12.830 -13.572 667 HA ARG 81 HA ARG 81 -2.831 -12.313 -16.418 668 HB2 ARG 81 2HB ARG 81 -3.489 -14.669 -16.169 669 HB3 ARG 81 3HB ARG 81 -4.692 -14.206 -14.958 670 HG2 ARG 81 2HG ARG 81 -5.887 -12.844 -16.633 671 HG3 ARG 81 3HG ARG 81 -4.664 -13.237 -17.848 672 HD2 ARG 81 2HD ARG 81 -5.261 -15.582 -17.753 673 HD3 ARG 81 3HD ARG 81 -6.406 -15.269 -16.442 674 HE ARG 81 HE ARG 81 -7.236 -13.641 -18.532 675 HH11 ARG 81 1HH1 ARG 81 -6.692 -17.089 -18.129 676 HH12 ARG 81 2HH1 ARG 81 -7.938 -17.533 -19.248 677 HH21 ARG 81 1HH2 ARG 81 -8.820 -14.223 -19.971 678 HH22 ARG 81 2HH2 ARG 81 -9.160 -15.888 -20.307 679 H ALA 82 H ALA 82 -4.030 -10.469 -16.771 680 HA ALA 82 HA ALA 82 -6.018 -9.661 -14.839 681 HB1 ALA 82 3HB ALA 82 -3.484 -8.012 -15.309 682 HB2 ALA 82 1HB ALA 82 -4.945 -7.458 -14.424 683 HB3 ALA 82 2HB ALA 82 -3.963 -8.815 -13.776 684 H LYS 83 H LYS 83 -7.236 -7.702 -15.605 685 HA LYS 83 HA LYS 83 -7.443 -7.815 -18.492 686 HB2 LYS 83 2HB LYS 83 -9.021 -6.370 -16.313 687 HB3 LYS 83 3HB LYS 83 -9.397 -6.265 -18.038 688 HG2 LYS 83 2HG LYS 83 -9.791 -8.722 -18.113 689 HG3 LYS 83 3HG LYS 83 -9.386 -8.847 -16.396 690 HD2 LYS 83 2HD LYS 83 -11.278 -7.320 -15.828 691 HD3 LYS 83 3HD LYS 83 -11.674 -7.161 -17.544 692 HE2 LYS 83 2HE LYS 83 -12.086 -9.623 -17.681 693 HE3 LYS 83 3HE LYS 83 -11.681 -9.789 -15.968 694 HZ1 LYS 83 3HZ LYS 83 -13.916 -8.188 -17.040 695 HZ2 LYS 83 1HZ LYS 83 -14.045 -9.642 -16.307 696 HZ3 LYS 83 2HZ LYS 83 -13.542 -8.341 -15.458 697 H ASP 84 H ASP 84 -7.418 -5.886 -19.878 698 HA ASP 84 HA ASP 84 -5.304 -4.092 -19.126 699 HB2 ASP 84 2HB ASP 84 -5.605 -5.019 -21.429 700 HB3 ASP 84 3HB ASP 84 -7.146 -4.162 -21.565 Start of MODEL 18 1 H ALA 1 1H ALA 1 2.526 16.767 11.291 2 HA ALA 1 HA ALA 1 1.238 19.074 10.998 3 HB1 ALA 1 3HB ALA 1 0.810 16.424 9.532 4 HB2 ALA 1 1HB ALA 1 0.360 18.049 8.913 5 HB3 ALA 1 2HB ALA 1 2.087 17.638 9.186 6 H ALA 2 H ALA 2 -0.907 19.848 10.995 7 HA ALA 2 HA ALA 2 -2.755 18.305 12.613 8 HB1 ALA 2 3HB ALA 2 -2.939 21.061 11.297 9 HB2 ALA 2 1HB ALA 2 -4.137 20.363 12.439 10 HB3 ALA 2 2HB ALA 2 -2.468 20.722 12.997 11 H VAL 3 H VAL 3 -2.528 16.639 10.568 12 HA VAL 3 HA VAL 3 -4.781 17.308 8.813 13 HB VAL 3 HB VAL 3 -2.155 15.966 7.983 14 HG11 VAL 3 1HG1 VAL 3 -3.104 16.054 5.698 15 HG12 VAL 3 2HG1 VAL 3 -4.104 15.047 6.799 16 HG13 VAL 3 3HG1 VAL 3 -4.638 16.706 6.365 17 HG21 VAL 3 3HG2 VAL 3 -1.895 18.388 8.321 18 HG22 VAL 3 1HG2 VAL 3 -1.833 17.977 6.574 19 HG23 VAL 3 2HG2 VAL 3 -3.321 18.700 7.274 20 H ARG 4 H ARG 4 -6.219 15.578 8.398 21 HA ARG 4 HA ARG 4 -5.728 13.268 10.126 22 HB2 ARG 4 2HB ARG 4 -8.281 14.317 8.877 23 HB3 ARG 4 3HB ARG 4 -8.153 12.856 9.865 24 HG2 ARG 4 2HG ARG 4 -7.477 14.147 11.809 25 HG3 ARG 4 3HG ARG 4 -7.358 15.626 10.848 26 HD2 ARG 4 2HD ARG 4 -9.787 15.484 10.387 27 HD3 ARG 4 3HD ARG 4 -9.877 14.057 11.429 28 HE ARG 4 HE ARG 4 -8.735 16.008 13.022 29 HH11 ARG 4 1HH1 ARG 4 -11.701 15.792 11.150 30 HH12 ARG 4 2HH1 ARG 4 -12.596 16.798 12.239 31 HH21 ARG 4 1HH2 ARG 4 -9.892 17.304 14.401 32 HH22 ARG 4 2HH2 ARG 4 -11.559 17.667 14.104 33 H LYS 5 H LYS 5 -5.842 14.205 6.734 34 HA LYS 5 HA LYS 5 -6.075 11.393 5.940 35 HB2 LYS 5 2HB LYS 5 -5.874 13.968 4.307 36 HB3 LYS 5 3HB LYS 5 -6.082 12.344 3.639 37 HG2 LYS 5 2HG LYS 5 -8.068 13.752 5.492 38 HG3 LYS 5 3HG LYS 5 -8.211 13.645 3.732 39 HD2 LYS 5 2HD LYS 5 -8.154 11.102 3.959 40 HD3 LYS 5 3HD LYS 5 -8.216 11.311 5.714 41 HE2 LYS 5 2HE LYS 5 -10.352 12.660 5.415 42 HE3 LYS 5 3HE LYS 5 -10.308 12.264 3.691 43 HZ1 LYS 5 3HZ LYS 5 -10.418 10.271 5.865 44 HZ2 LYS 5 1HZ LYS 5 -11.691 10.749 4.961 45 HZ3 LYS 5 2HZ LYS 5 -10.453 9.944 4.265 46 H ILE 6 H ILE 6 -4.411 10.409 4.540 47 HA ILE 6 HA ILE 6 -1.874 11.884 4.559 48 HB ILE 6 HB ILE 6 -2.304 8.894 5.070 49 HG12 ILE 6 2HG1 ILE 6 -1.036 11.068 6.803 50 HG13 ILE 6 3HG1 ILE 6 -2.685 10.462 7.000 51 HG21 ILE 6 1HG2 ILE 6 0.160 8.763 5.241 52 HG22 ILE 6 2HG2 ILE 6 -0.371 9.261 3.599 53 HG23 ILE 6 3HG2 ILE 6 0.282 10.484 4.741 54 HD11 ILE 6 3HD1 ILE 6 -0.135 8.804 7.256 55 HD12 ILE 6 1HD1 ILE 6 -1.157 9.405 8.605 56 HD13 ILE 6 2HD1 ILE 6 -1.810 8.188 7.456 57 H HIS 7 H HIS 7 -0.676 11.786 2.605 58 HA HIS 7 HA HIS 7 -2.052 10.480 0.379 59 HB2 HIS 7 2HB HIS 7 0.243 12.492 0.554 60 HB3 HIS 7 3HB HIS 7 -0.299 11.760 -0.962 61 HD2 HIS 7 HD2 HIS 7 -1.195 14.717 1.329 62 HE1 HIS 7 HE1 HIS 7 -4.413 14.283 -1.461 63 H VAL 8 H VAL 8 -1.155 8.776 -0.827 64 HA VAL 8 HA VAL 8 1.372 7.733 0.257 65 HB VAL 8 HB VAL 8 -1.153 6.222 -0.585 66 HG11 VAL 8 1HG1 VAL 8 0.112 4.163 -0.046 67 HG12 VAL 8 2HG1 VAL 8 0.850 5.061 -1.415 68 HG13 VAL 8 3HG1 VAL 8 1.591 5.147 0.218 69 HG21 VAL 8 3HG2 VAL 8 -1.229 7.162 1.686 70 HG22 VAL 8 1HG2 VAL 8 -1.085 5.372 1.740 71 HG23 VAL 8 2HG2 VAL 8 0.351 6.399 2.068 72 H THR 9 H THR 9 2.956 7.292 -1.277 73 HA THR 9 HA THR 9 2.155 7.412 -4.074 74 HB THR 9 HB THR 9 4.891 7.273 -2.708 75 HG1 THR 9 HG1 THR 9 5.013 9.488 -3.504 76 HG21 THR 9 3HG2 THR 9 4.176 7.635 -5.657 77 HG22 THR 9 1HG2 THR 9 5.822 7.765 -4.951 78 HG23 THR 9 2HG2 THR 9 4.953 6.193 -4.920 79 H VAL 10 H VAL 10 1.752 5.542 -5.219 80 HA VAL 10 HA VAL 10 2.684 3.047 -4.004 81 HB VAL 10 HB VAL 10 0.547 3.590 -6.133 82 HG11 VAL 10 1HG1 VAL 10 -0.064 1.217 -5.823 83 HG12 VAL 10 2HG1 VAL 10 1.611 1.402 -6.446 84 HG13 VAL 10 3HG1 VAL 10 1.335 1.005 -4.716 85 HG21 VAL 10 3HG2 VAL 10 -0.099 4.404 -3.910 86 HG22 VAL 10 1HG2 VAL 10 -1.049 2.947 -4.359 87 HG23 VAL 10 2HG2 VAL 10 0.309 2.808 -3.193 88 H LYS 11 H LYS 11 4.458 2.042 -4.924 89 HA LYS 11 HA LYS 11 5.245 3.062 -7.576 90 HB2 LYS 11 2HB LYS 11 6.913 2.017 -5.235 91 HB3 LYS 11 3HB LYS 11 7.563 2.497 -6.808 92 HG2 LYS 11 2HG LYS 11 6.941 4.813 -6.461 93 HG3 LYS 11 3HG LYS 11 5.975 4.410 -5.035 94 HD2 LYS 11 2HD LYS 11 8.033 5.273 -4.178 95 HD3 LYS 11 3HD LYS 11 8.134 3.521 -3.956 96 HE2 LYS 11 2HE LYS 11 9.472 3.317 -6.048 97 HE3 LYS 11 3HE LYS 11 9.343 5.060 -6.315 98 HZ1 LYS 11 3HZ LYS 11 10.750 3.700 -4.117 99 HZ2 LYS 11 1HZ LYS 11 11.389 4.657 -5.275 100 HZ3 LYS 11 2HZ LYS 11 10.451 5.305 -4.106 101 H PHE 12 H PHE 12 4.862 1.566 -9.183 102 HA PHE 12 HA PHE 12 5.609 -1.216 -8.568 103 HB2 PHE 12 2HB PHE 12 3.962 0.091 -10.775 104 HB3 PHE 12 3HB PHE 12 4.572 -1.564 -10.913 105 HD1 PHE 12 HD1 PHE 12 2.228 0.664 -9.137 106 HD2 PHE 12 HD2 PHE 12 3.675 -3.360 -9.527 107 HE1 PHE 12 HE1 PHE 12 0.274 -0.161 -7.860 108 HE2 PHE 12 HE2 PHE 12 1.720 -4.187 -8.253 109 HZ PHE 12 HZ PHE 12 0.016 -2.588 -7.414 110 HA PRO 13 HA PRO 13 9.315 -0.950 -10.971 111 HB2 PRO 13 2HB PRO 13 9.188 -3.350 -12.406 112 HB3 PRO 13 3HB PRO 13 9.604 -3.308 -10.688 113 HG2 PRO 13 2HG PRO 13 6.913 -3.859 -11.986 114 HG3 PRO 13 3HG PRO 13 7.705 -4.727 -10.664 115 HD2 PRO 13 2HD PRO 13 5.756 -2.930 -10.123 116 HD3 PRO 13 3HD PRO 13 7.163 -3.048 -9.058 117 H SER 14 H SER 14 6.203 -1.248 -12.619 118 HA SER 14 HA SER 14 7.571 -0.430 -15.110 119 HB2 SER 14 2HB SER 14 5.763 -1.579 -16.298 120 HB3 SER 14 3HB SER 14 6.626 -2.700 -15.237 121 HG SER 14 HG SER 14 4.329 -2.937 -15.095 122 H LYS 15 H LYS 15 5.459 0.552 -12.570 123 HA LYS 15 HA LYS 15 4.598 2.848 -14.083 124 HB2 LYS 15 2HB LYS 15 2.209 2.469 -13.778 125 HB3 LYS 15 3HB LYS 15 2.908 1.171 -14.754 126 HG2 LYS 15 2HG LYS 15 3.025 -0.236 -12.615 127 HG3 LYS 15 3HG LYS 15 2.091 1.034 -11.814 128 HD2 LYS 15 2HD LYS 15 1.173 -0.367 -14.378 129 HD3 LYS 15 3HD LYS 15 0.729 -0.919 -12.758 130 HE2 LYS 15 2HE LYS 15 -0.280 1.330 -12.280 131 HE3 LYS 15 3HE LYS 15 0.143 1.858 -13.914 132 HZ1 LYS 15 3HZ LYS 15 -1.665 -0.382 -13.265 133 HZ2 LYS 15 1HZ LYS 15 -2.122 1.095 -13.790 134 HZ3 LYS 15 2HZ LYS 15 -1.275 0.105 -14.773 135 H GLN 16 H GLN 16 3.252 4.355 -12.607 136 HA GLN 16 HA GLN 16 3.543 3.795 -9.777 137 HB2 GLN 16 2HB GLN 16 5.750 4.741 -10.379 138 HB3 GLN 16 3HB GLN 16 4.970 6.120 -11.164 139 HG2 GLN 16 2HG GLN 16 4.028 6.849 -8.992 140 HG3 GLN 16 3HG GLN 16 4.748 5.445 -8.192 141 HE21 GLN 16 1HE2 GLN 16 5.314 8.019 -7.334 142 HE22 GLN 16 2HE2 GLN 16 6.967 8.406 -7.678 143 H PHE 17 H PHE 17 2.017 4.946 -8.526 144 HA PHE 17 HA PHE 17 0.774 7.302 -9.626 145 HB2 PHE 17 2HB PHE 17 -1.511 6.408 -9.557 146 HB3 PHE 17 3HB PHE 17 -0.533 5.551 -10.755 147 HD1 PHE 17 HD1 PHE 17 -2.211 5.303 -7.473 148 HD2 PHE 17 HD2 PHE 17 0.076 3.213 -10.448 149 HE1 PHE 17 HE1 PHE 17 -2.800 3.146 -6.412 150 HE2 PHE 17 HE2 PHE 17 -0.519 1.056 -9.392 151 HZ PHE 17 HZ PHE 17 -1.959 1.019 -7.369 152 H THR 18 H THR 18 -0.867 8.221 -7.997 153 HA THR 18 HA THR 18 0.047 7.462 -5.308 154 HB THR 18 HB THR 18 -0.425 9.823 -4.668 155 HG1 THR 18 HG1 THR 18 -0.818 11.348 -6.429 156 HG21 THR 18 3HG2 THR 18 1.421 9.538 -7.091 157 HG22 THR 18 1HG2 THR 18 1.467 10.866 -5.883 158 HG23 THR 18 2HG2 THR 18 1.851 9.184 -5.384 159 H VAL 19 H VAL 19 -1.551 7.510 -3.563 160 HA VAL 19 HA VAL 19 -4.314 7.843 -4.484 161 HB VAL 19 HB VAL 19 -4.982 5.960 -2.988 162 HG11 VAL 19 1HG1 VAL 19 -4.159 4.122 -4.427 163 HG12 VAL 19 2HG1 VAL 19 -4.650 5.557 -5.389 164 HG13 VAL 19 3HG1 VAL 19 -2.909 5.219 -5.105 165 HG21 VAL 19 3HG2 VAL 19 -3.079 6.033 -1.433 166 HG22 VAL 19 1HG2 VAL 19 -3.254 4.396 -2.151 167 HG23 VAL 19 2HG2 VAL 19 -1.971 5.504 -2.744 168 H GLU 20 H GLU 20 -5.860 8.305 -2.623 169 HA GLU 20 HA GLU 20 -4.416 9.696 -0.457 170 HB2 GLU 20 2HB GLU 20 -5.682 11.186 -1.973 171 HB3 GLU 20 3HB GLU 20 -7.149 10.231 -1.716 172 HG2 GLU 20 2HG GLU 20 -7.122 10.843 0.705 173 HG3 GLU 20 3HG GLU 20 -5.658 11.801 0.446 174 H VAL 21 H VAL 21 -4.752 9.000 1.627 175 HA VAL 21 HA VAL 21 -7.049 7.224 2.050 176 HB VAL 21 HB VAL 21 -5.587 5.793 3.490 177 HG11 VAL 21 1HG1 VAL 21 -4.397 4.651 1.645 178 HG12 VAL 21 2HG1 VAL 21 -6.060 5.137 1.169 179 HG13 VAL 21 3HG1 VAL 21 -4.648 6.089 0.599 180 HG21 VAL 21 3HG2 VAL 21 -3.857 7.454 4.019 181 HG22 VAL 21 1HG2 VAL 21 -3.130 5.985 3.286 182 HG23 VAL 21 2HG2 VAL 21 -3.332 7.473 2.302 183 H ASP 22 H ASP 22 -7.492 6.914 4.500 184 HA ASP 22 HA ASP 22 -6.946 9.417 5.911 185 HB2 ASP 22 2HB ASP 22 -9.265 8.300 5.719 186 HB3 ASP 22 3HB ASP 22 -8.644 7.043 6.798 187 H ARG 23 H ARG 23 -5.982 9.454 8.050 188 HA ARG 23 HA ARG 23 -3.771 7.692 8.198 189 HB2 ARG 23 2HB ARG 23 -3.052 8.950 10.030 190 HB3 ARG 23 3HB ARG 23 -3.795 10.088 8.898 191 HG2 ARG 23 2HG ARG 23 -5.911 9.964 10.304 192 HG3 ARG 23 3HG ARG 23 -4.997 9.015 11.483 193 HD2 ARG 23 2HD ARG 23 -3.404 10.873 11.732 194 HD3 ARG 23 3HD ARG 23 -4.336 11.822 10.567 195 HE ARG 23 HE ARG 23 -5.976 10.935 12.763 196 HH11 ARG 23 1HH1 ARG 23 -3.549 13.322 11.887 197 HH12 ARG 23 2HH1 ARG 23 -4.119 14.490 13.032 198 HH21 ARG 23 1HH2 ARG 23 -6.687 12.437 14.235 199 HH22 ARG 23 2HH2 ARG 23 -5.920 13.983 14.381 200 H THR 24 H THR 24 -7.063 7.560 9.495 201 HA THR 24 HA THR 24 -6.212 5.853 11.685 202 HB THR 24 HB THR 24 -8.587 5.978 12.386 203 HG1 THR 24 HG1 THR 24 -8.925 7.666 10.038 204 HG21 THR 24 3HG2 THR 24 -7.432 8.691 11.576 205 HG22 THR 24 1HG2 THR 24 -8.704 8.416 12.813 206 HG23 THR 24 2HG2 THR 24 -7.045 7.779 13.074 207 H GLU 25 H GLU 25 -7.037 5.473 8.381 208 HA GLU 25 HA GLU 25 -8.515 3.017 8.684 209 HB2 GLU 25 2HB GLU 25 -7.221 4.478 6.340 210 HB3 GLU 25 3HB GLU 25 -8.001 2.900 6.165 211 HG2 GLU 25 2HG GLU 25 -9.383 5.424 7.202 212 HG3 GLU 25 3HG GLU 25 -9.480 4.824 5.541 213 H THR 26 H THR 26 -7.725 0.889 7.926 214 HA THR 26 HA THR 26 -5.040 0.480 8.886 215 HB THR 26 HB THR 26 -5.580 -1.927 8.595 216 HG1 THR 26 HG1 THR 26 -7.764 -2.463 7.870 217 HG21 THR 26 3HG2 THR 26 -7.829 -0.318 9.900 218 HG22 THR 26 1HG2 THR 26 -7.456 -2.047 10.210 219 HG23 THR 26 2HG2 THR 26 -6.271 -0.777 10.666 220 H VAL 27 H VAL 27 -3.541 -1.069 7.600 221 HA VAL 27 HA VAL 27 -2.992 0.049 5.107 222 HB VAL 27 HB VAL 27 -1.356 -1.134 6.613 223 HG11 VAL 27 1HG1 VAL 27 -1.221 -3.604 6.503 224 HG12 VAL 27 2HG1 VAL 27 -2.762 -3.051 7.240 225 HG13 VAL 27 3HG1 VAL 27 -2.738 -3.639 5.543 226 HG21 VAL 27 3HG2 VAL 27 -0.803 -0.672 4.264 227 HG22 VAL 27 1HG2 VAL 27 -0.093 -2.235 4.791 228 HG23 VAL 27 2HG2 VAL 27 -1.568 -2.219 3.766 229 H SER 28 H SER 28 -5.191 -2.574 6.071 230 HA SER 28 HA SER 28 -5.362 -3.927 3.623 231 HB2 SER 28 2HB SER 28 -6.307 -4.739 5.750 232 HB3 SER 28 3HB SER 28 -7.444 -3.385 5.788 233 HG SER 28 HG SER 28 -8.399 -5.321 4.954 234 H SER 29 H SER 29 -6.955 -0.890 4.814 235 HA SER 29 HA SER 29 -8.695 -0.620 2.604 236 HB2 SER 29 2HB SER 29 -7.437 1.406 4.510 237 HB3 SER 29 3HB SER 29 -8.713 1.790 3.347 238 HG SER 29 HG SER 29 -9.647 1.346 5.359 239 H LEU 30 H LEU 30 -5.268 0.428 3.187 240 HA LEU 30 HA LEU 30 -5.007 1.920 0.820 241 HB2 LEU 30 2HB LEU 30 -3.404 2.024 2.673 242 HB3 LEU 30 3HB LEU 30 -3.014 0.309 2.487 243 HG LEU 30 HG LEU 30 -2.045 0.781 0.223 244 HD11 LEU 30 1HD1 LEU 30 -1.670 3.125 -0.449 245 HD12 LEU 30 2HD1 LEU 30 -3.422 2.745 -0.333 246 HD13 LEU 30 3HD1 LEU 30 -2.619 3.686 0.969 247 HD21 LEU 30 3HD2 LEU 30 -0.629 0.763 2.247 248 HD22 LEU 30 1HD2 LEU 30 -0.046 1.976 1.058 249 HD23 LEU 30 2HD2 LEU 30 -0.967 2.508 2.505 250 H LYS 31 H LYS 31 -4.527 -1.624 1.508 251 HA LYS 31 HA LYS 31 -3.536 -2.271 -1.032 252 HB2 LYS 31 2HB LYS 31 -5.086 -3.837 1.075 253 HB3 LYS 31 3HB LYS 31 -4.480 -4.576 -0.413 254 HG2 LYS 31 2HG LYS 31 -2.149 -3.917 0.222 255 HG3 LYS 31 3HG LYS 31 -2.766 -3.207 1.720 256 HD2 LYS 31 2HD LYS 31 -3.676 -5.433 2.406 257 HD3 LYS 31 3HD LYS 31 -3.078 -6.146 0.902 258 HE2 LYS 31 2HE LYS 31 -0.736 -5.471 1.544 259 HE3 LYS 31 3HE LYS 31 -1.358 -4.832 3.071 260 HZ1 LYS 31 3HZ LYS 31 -1.688 -7.638 2.226 261 HZ2 LYS 31 1HZ LYS 31 -0.490 -7.113 3.202 262 HZ3 LYS 31 2HZ LYS 31 -2.045 -7.008 3.689 263 H ASP 32 H ASP 32 -6.923 -1.950 0.233 264 HA ASP 32 HA ASP 32 -8.172 -3.122 -1.993 265 HB2 ASP 32 2HB ASP 32 -9.051 -1.084 0.098 266 HB3 ASP 32 3HB ASP 32 -10.141 -1.676 -1.163 267 H LYS 33 H LYS 33 -7.264 0.333 -1.261 268 HA LYS 33 HA LYS 33 -8.559 1.349 -3.571 269 HB2 LYS 33 2HB LYS 33 -6.423 2.408 -1.671 270 HB3 LYS 33 3HB LYS 33 -7.012 3.348 -3.048 271 HG2 LYS 33 2HG LYS 33 -9.310 3.301 -2.142 272 HG3 LYS 33 3HG LYS 33 -8.788 2.269 -0.804 273 HD2 LYS 33 2HD LYS 33 -7.281 4.041 0.032 274 HD3 LYS 33 3HD LYS 33 -7.661 5.063 -1.359 275 HE2 LYS 33 2HE LYS 33 -9.986 5.289 -0.662 276 HE3 LYS 33 3HE LYS 33 -9.790 4.060 0.594 277 HZ1 LYS 33 3HZ LYS 33 -8.295 6.601 0.571 278 HZ2 LYS 33 1HZ LYS 33 -9.688 6.375 1.391 279 HZ3 LYS 33 2HZ LYS 33 -8.360 5.510 1.784 280 H ILE 34 H ILE 34 -5.189 0.189 -2.879 281 HA ILE 34 HA ILE 34 -4.152 0.852 -5.395 282 HB ILE 34 HB ILE 34 -3.513 -1.384 -3.408 283 HG12 ILE 34 2HG1 ILE 34 -1.967 1.150 -4.121 284 HG13 ILE 34 3HG1 ILE 34 -3.139 1.068 -2.800 285 HG21 ILE 34 1HG2 ILE 34 -1.411 -1.708 -4.671 286 HG22 ILE 34 2HG2 ILE 34 -2.855 -2.102 -5.665 287 HG23 ILE 34 3HG2 ILE 34 -1.987 -0.551 -5.919 288 HD11 ILE 34 3HD1 ILE 34 -0.617 -0.631 -3.052 289 HD12 ILE 34 1HD1 ILE 34 -0.848 0.782 -1.968 290 HD13 ILE 34 2HD1 ILE 34 -1.807 -0.714 -1.710 291 H HIS 35 H HIS 35 -6.061 -2.001 -4.207 292 HA HIS 35 HA HIS 35 -5.723 -3.558 -6.527 293 HB2 HIS 35 2HB HIS 35 -6.503 -4.470 -4.376 294 HB3 HIS 35 3HB HIS 35 -7.955 -3.461 -4.438 295 HD2 HIS 35 HD2 HIS 35 -7.694 -4.698 -7.946 296 HE1 HIS 35 HE1 HIS 35 -9.759 -7.813 -5.858 297 H ILE 36 H ILE 36 -8.048 -0.926 -5.657 298 HA ILE 36 HA ILE 36 -9.853 -1.385 -7.723 299 HB ILE 36 HB ILE 36 -9.005 1.137 -6.223 300 HG12 ILE 36 2HG1 ILE 36 -11.584 -0.495 -6.119 301 HG13 ILE 36 3HG1 ILE 36 -10.211 -0.766 -5.039 302 HG21 ILE 36 1HG2 ILE 36 -11.012 2.231 -7.168 303 HG22 ILE 36 2HG2 ILE 36 -9.819 1.805 -8.442 304 HG23 ILE 36 3HG2 ILE 36 -11.292 0.801 -8.218 305 HD11 ILE 36 3HD1 ILE 36 -11.802 1.827 -5.282 306 HD12 ILE 36 1HD1 ILE 36 -11.926 0.618 -3.959 307 HD13 ILE 36 2HD1 ILE 36 -10.408 1.552 -4.184 308 H VAL 37 H VAL 37 -6.732 0.471 -7.634 309 HA VAL 37 HA VAL 37 -7.074 1.478 -10.272 310 HB VAL 37 HB VAL 37 -4.629 1.190 -8.454 311 HG11 VAL 37 1HG1 VAL 37 -3.510 2.766 -10.001 312 HG12 VAL 37 2HG1 VAL 37 -3.932 1.220 -10.812 313 HG13 VAL 37 3HG1 VAL 37 -4.927 2.686 -11.101 314 HG21 VAL 37 3HG2 VAL 37 -6.355 2.724 -7.615 315 HG22 VAL 37 1HG2 VAL 37 -4.903 3.630 -8.161 316 HG23 VAL 37 2HG2 VAL 37 -6.373 3.585 -9.191 317 H GLU 38 H GLU 38 -5.482 -1.425 -8.799 318 HA GLU 38 HA GLU 38 -4.337 -2.127 -11.383 319 HB2 GLU 38 2HB GLU 38 -4.195 -3.356 -8.592 320 HB3 GLU 38 3HB GLU 38 -3.443 -4.085 -10.017 321 HG2 GLU 38 2HG GLU 38 -2.810 -1.275 -8.990 322 HG3 GLU 38 3HG GLU 38 -1.876 -2.720 -8.583 323 H ASN 39 H ASN 39 -4.483 -4.762 -11.708 324 HA ASN 39 HA ASN 39 -7.337 -5.438 -11.429 325 HB2 ASN 39 2HB ASN 39 -5.401 -6.094 -13.679 326 HB3 ASN 39 3HB ASN 39 -6.997 -6.833 -13.490 327 HD21 ASN 39 1HD2 ASN 39 -5.279 -4.396 -14.918 328 HD22 ASN 39 2HD2 ASN 39 -6.602 -3.401 -15.428 329 H THR 40 H THR 40 -5.446 -6.013 -9.344 330 HA THR 40 HA THR 40 -5.325 -8.925 -9.621 331 HB THR 40 HB THR 40 -3.044 -8.027 -10.035 332 HG1 THR 40 HG1 THR 40 -2.011 -9.237 -8.286 333 HG21 THR 40 3HG2 THR 40 -3.344 -6.815 -7.242 334 HG22 THR 40 1HG2 THR 40 -1.837 -6.847 -8.220 335 HG23 THR 40 2HG2 THR 40 -3.258 -5.906 -8.789 336 HA PRO 41 HA PRO 41 -7.298 -8.712 -5.643 337 HB2 PRO 41 2HB PRO 41 -6.743 -11.314 -4.810 338 HB3 PRO 41 3HB PRO 41 -7.969 -10.981 -6.040 339 HG2 PRO 41 2HG PRO 41 -5.078 -11.834 -6.410 340 HG3 PRO 41 3HG PRO 41 -6.527 -12.448 -7.217 341 HD2 PRO 41 2HD PRO 41 -4.919 -10.649 -8.458 342 HD3 PRO 41 3HD PRO 41 -6.673 -10.579 -8.676 343 H ILE 42 H ILE 42 -6.894 -8.338 -3.488 344 HA ILE 42 HA ILE 42 -4.259 -7.507 -2.976 345 HB ILE 42 HB ILE 42 -5.098 -7.046 -0.686 346 HG12 ILE 42 2HG1 ILE 42 -7.664 -8.417 -1.621 347 HG13 ILE 42 3HG1 ILE 42 -6.486 -9.137 -0.515 348 HG21 ILE 42 1HG2 ILE 42 -6.922 -5.496 -1.306 349 HG22 ILE 42 2HG2 ILE 42 -5.570 -5.443 -2.486 350 HG23 ILE 42 3HG2 ILE 42 -7.081 -6.324 -2.892 351 HD11 ILE 42 3HD1 ILE 42 -8.068 -6.575 -0.012 352 HD12 ILE 42 1HD1 ILE 42 -8.386 -8.186 0.714 353 HD13 ILE 42 2HD1 ILE 42 -6.871 -7.306 1.110 354 H LYS 43 H LYS 43 -5.911 -10.611 -2.564 355 HA LYS 43 HA LYS 43 -4.326 -11.561 -0.406 356 HB2 LYS 43 2HB LYS 43 -5.986 -12.933 -2.568 357 HB3 LYS 43 3HB LYS 43 -5.178 -13.807 -1.260 358 HG2 LYS 43 2HG LYS 43 -6.506 -12.537 0.420 359 HG3 LYS 43 3HG LYS 43 -7.302 -11.639 -0.879 360 HD2 LYS 43 2HD LYS 43 -8.205 -13.779 -1.809 361 HD3 LYS 43 3HD LYS 43 -7.399 -14.683 -0.520 362 HE2 LYS 43 2HE LYS 43 -8.722 -13.437 1.193 363 HE3 LYS 43 3HE LYS 43 -9.516 -12.509 -0.086 364 HZ1 LYS 43 3HZ LYS 43 -9.682 -15.436 0.245 365 HZ2 LYS 43 1HZ LYS 43 -10.854 -14.363 0.621 366 HZ3 LYS 43 2HZ LYS 43 -10.415 -14.580 -0.936 367 H ARG 44 H ARG 44 -3.801 -11.250 -3.915 368 HA ARG 44 HA ARG 44 -1.469 -13.017 -3.676 369 HB2 ARG 44 2HB ARG 44 -2.839 -11.900 -6.138 370 HB3 ARG 44 3HB ARG 44 -1.401 -12.930 -6.133 371 HG2 ARG 44 2HG ARG 44 -4.103 -13.742 -4.979 372 HG3 ARG 44 3HG ARG 44 -3.565 -14.117 -6.621 373 HD2 ARG 44 2HD ARG 44 -1.667 -15.375 -5.718 374 HD3 ARG 44 3HD ARG 44 -2.187 -14.988 -4.073 375 HE ARG 44 HE ARG 44 -4.332 -16.255 -5.430 376 HH11 ARG 44 1HH1 ARG 44 -1.129 -17.025 -4.211 377 HH12 ARG 44 2HH1 ARG 44 -1.522 -18.681 -3.893 378 HH21 ARG 44 1HH2 ARG 44 -4.819 -18.381 -5.031 379 HH22 ARG 44 2HH2 ARG 44 -3.641 -19.462 -4.365 380 H MET 45 H MET 45 -2.490 -9.629 -4.396 381 HA MET 45 HA MET 45 0.043 -8.732 -5.249 382 HB2 MET 45 2HB MET 45 -2.132 -7.553 -5.591 383 HB3 MET 45 3HB MET 45 -2.240 -7.256 -3.851 384 HG2 MET 45 2HG MET 45 -0.125 -5.920 -3.964 385 HG3 MET 45 3HG MET 45 -0.059 -6.192 -5.710 386 HE1 MET 45 3HE MET 45 -2.401 -3.443 -3.143 387 HE2 MET 45 1HE MET 45 -3.620 -4.695 -3.555 388 HE3 MET 45 2HE MET 45 -2.064 -5.173 -2.797 389 H GLN 46 H GLN 46 1.852 -7.974 -4.147 390 HA GLN 46 HA GLN 46 1.749 -8.361 -1.230 391 HB2 GLN 46 2HB GLN 46 4.149 -8.295 -3.127 392 HB3 GLN 46 3HB GLN 46 4.189 -8.662 -1.398 393 HG2 GLN 46 2HG GLN 46 2.747 -10.326 -3.515 394 HG3 GLN 46 3HG GLN 46 4.342 -10.689 -2.844 395 HE21 GLN 46 1HE2 GLN 46 1.230 -11.612 -2.679 396 HE22 GLN 46 2HE2 GLN 46 1.126 -12.143 -1.034 397 H LEU 47 H LEU 47 2.347 -6.683 0.171 398 HA LEU 47 HA LEU 47 2.928 -4.114 -1.171 399 HB2 LEU 47 2HB LEU 47 0.634 -4.300 -0.189 400 HB3 LEU 47 3HB LEU 47 1.346 -4.681 1.384 401 HG LEU 47 HG LEU 47 2.491 -2.413 1.351 402 HD11 LEU 47 1HD1 LEU 47 1.644 -0.733 -0.247 403 HD12 LEU 47 2HD1 LEU 47 2.486 -2.078 -1.089 404 HD13 LEU 47 3HD1 LEU 47 0.691 -2.005 -1.083 405 HD21 LEU 47 3HD2 LEU 47 0.386 -2.827 2.574 406 HD22 LEU 47 1HD2 LEU 47 0.417 -1.170 1.881 407 HD23 LEU 47 2HD2 LEU 47 -0.556 -2.456 1.091 408 H TYR 48 H TYR 48 4.885 -3.221 -0.666 409 HA TYR 48 HA TYR 48 6.193 -4.258 1.768 410 HB2 TYR 48 2HB TYR 48 7.173 -5.320 -0.195 411 HB3 TYR 48 3HB TYR 48 7.312 -3.769 -1.032 412 HD1 TYR 48 HD1 TYR 48 8.505 -5.565 2.050 413 HD2 TYR 48 HD2 TYR 48 9.300 -2.528 -0.878 414 HE1 TYR 48 HE1 TYR 48 10.780 -5.269 2.981 415 HE2 TYR 48 HE2 TYR 48 11.576 -2.227 0.048 416 HH TYR 48 HH TYR 48 13.132 -3.054 1.431 417 H TYR 49 H TYR 49 7.097 -2.730 3.134 418 HA TYR 49 HA TYR 49 7.221 0.025 2.113 419 HB2 TYR 49 2HB TYR 49 7.302 -1.168 4.928 420 HB3 TYR 49 3HB TYR 49 7.590 0.542 4.579 421 HD1 TYR 49 HD1 TYR 49 5.031 -2.178 4.222 422 HD2 TYR 49 HD2 TYR 49 5.777 2.047 4.350 423 HE1 TYR 49 HE1 TYR 49 2.594 -1.755 4.303 424 HE2 TYR 49 HE2 TYR 49 3.341 2.477 4.437 425 HH TYR 49 HH TYR 49 1.313 1.609 4.464 426 H SER 50 H SER 50 9.178 0.896 1.550 427 HA SER 50 HA SER 50 11.572 -0.228 1.391 428 HB2 SER 50 2HB SER 50 11.031 2.109 0.781 429 HB3 SER 50 3HB SER 50 10.994 2.559 2.491 430 HG SER 50 HG SER 50 13.022 3.051 1.489 431 H GLY 51 H GLY 51 12.342 -1.766 2.862 432 HA2 GLY 51 2HA GLY 51 14.067 -1.754 4.531 433 HA3 GLY 51 3HA GLY 51 13.126 -0.576 5.455 434 H ILE 52 H ILE 52 10.642 -1.490 5.835 435 HA ILE 52 HA ILE 52 11.038 -4.228 6.826 436 HB ILE 52 HB ILE 52 9.330 -1.944 7.939 437 HG12 ILE 52 2HG1 ILE 52 11.667 -3.463 9.185 438 HG13 ILE 52 3HG1 ILE 52 11.832 -1.908 8.359 439 HG21 ILE 52 1HG2 ILE 52 8.730 -3.521 9.744 440 HG22 ILE 52 2HG2 ILE 52 8.151 -4.087 8.141 441 HG23 ILE 52 3HG2 ILE 52 9.606 -4.832 8.884 442 HD11 ILE 52 3HD1 ILE 52 10.126 -2.439 10.832 443 HD12 ILE 52 1HD1 ILE 52 11.717 -1.609 10.790 444 HD13 ILE 52 2HD1 ILE 52 10.293 -0.861 9.992 445 H GLU 53 H GLU 53 9.523 -5.800 6.225 446 HA GLU 53 HA GLU 53 7.463 -4.934 4.353 447 HB2 GLU 53 2HB GLU 53 8.962 -6.843 3.807 448 HB3 GLU 53 3HB GLU 53 8.408 -7.699 5.252 449 HG2 GLU 53 2HG GLU 53 6.100 -7.788 4.334 450 HG3 GLU 53 3HG GLU 53 6.622 -6.892 2.902 451 H LEU 54 H LEU 54 5.503 -4.324 5.185 452 HA LEU 54 HA LEU 54 4.676 -5.338 7.769 453 HB2 LEU 54 2HB LEU 54 4.326 -2.982 7.191 454 HB3 LEU 54 3HB LEU 54 3.427 -3.431 5.735 455 HG LEU 54 HG LEU 54 1.653 -4.482 7.197 456 HD11 LEU 54 1HD1 LEU 54 1.667 -3.949 9.605 457 HD12 LEU 54 2HD1 LEU 54 3.075 -4.967 9.147 458 HD13 LEU 54 3HD1 LEU 54 3.294 -3.208 9.434 459 HD21 LEU 54 3HD2 LEU 54 1.444 -2.181 6.326 460 HD22 LEU 54 1HD2 LEU 54 0.722 -2.323 7.965 461 HD23 LEU 54 2HD2 LEU 54 2.332 -1.554 7.756 462 H ALA 55 H ALA 55 3.639 -7.275 7.991 463 HA ALA 55 HA ALA 55 2.034 -8.188 5.691 464 HB1 ALA 55 3HB ALA 55 3.393 -9.748 7.944 465 HB2 ALA 55 1HB ALA 55 2.389 -10.459 6.636 466 HB3 ALA 55 2HB ALA 55 3.942 -9.648 6.237 467 H ASP 56 H ASP 56 1.555 -6.482 8.448 468 HA ASP 56 HA ASP 56 -0.639 -8.142 9.457 469 HB2 ASP 56 2HB ASP 56 0.993 -7.176 11.064 470 HB3 ASP 56 3HB ASP 56 0.622 -5.549 10.478 471 H ASP 57 H ASP 57 -2.535 -7.902 8.316 472 HA ASP 57 HA ASP 57 -3.048 -5.643 6.711 473 HB2 ASP 57 2HB ASP 57 -4.767 -7.931 7.764 474 HB3 ASP 57 3HB ASP 57 -5.411 -6.673 6.701 475 H TYR 58 H TYR 58 -3.565 -6.278 10.164 476 HA TYR 58 HA TYR 58 -5.827 -4.438 10.262 477 HB2 TYR 58 2HB TYR 58 -4.474 -6.220 12.344 478 HB3 TYR 58 3HB TYR 58 -5.857 -5.170 12.681 479 HD1 TYR 58 HD1 TYR 58 -8.070 -5.627 11.571 480 HD2 TYR 58 HD2 TYR 58 -4.756 -8.336 11.237 481 HE1 TYR 58 HE1 TYR 58 -9.613 -7.421 10.845 482 HE2 TYR 58 HE2 TYR 58 -6.294 -10.133 10.506 483 HH TYR 58 HH TYR 58 -9.832 -9.524 10.206 484 H ARG 59 H ARG 59 -2.450 -4.142 10.281 485 HA ARG 59 HA ARG 59 -2.163 -2.286 12.409 486 HB2 ARG 59 2HB ARG 59 -0.315 -3.600 11.400 487 HB3 ARG 59 3HB ARG 59 -0.458 -2.627 9.929 488 HG2 ARG 59 2HG ARG 59 1.274 -1.563 11.031 489 HG3 ARG 59 3HG ARG 59 -0.113 -0.575 11.507 490 HD2 ARG 59 2HD ARG 59 -0.258 -1.970 13.602 491 HD3 ARG 59 3HD ARG 59 1.277 -2.711 13.130 492 HE ARG 59 HE ARG 59 1.568 0.119 13.126 493 HH11 ARG 59 1HH1 ARG 59 1.111 -2.527 15.393 494 HH12 ARG 59 2HH1 ARG 59 1.968 -1.732 16.671 495 HH21 ARG 59 1HH2 ARG 59 2.650 1.131 14.777 496 HH22 ARG 59 2HH2 ARG 59 2.851 0.368 16.319 497 H ASN 60 H ASN 60 -2.666 -0.129 12.522 498 HA ASN 60 HA ASN 60 -4.030 1.033 10.282 499 HB2 ASN 60 2HB ASN 60 -3.291 2.019 13.056 500 HB3 ASN 60 3HB ASN 60 -4.087 3.046 11.856 501 HD21 ASN 60 1HD2 ASN 60 -4.547 0.984 14.392 502 HD22 ASN 60 2HD2 ASN 60 -6.236 0.668 14.176 503 H LEU 61 H LEU 61 -3.417 3.072 9.214 504 HA LEU 61 HA LEU 61 -0.723 2.892 8.364 505 HB2 LEU 61 2HB LEU 61 -2.919 4.969 7.906 506 HB3 LEU 61 3HB LEU 61 -1.359 4.981 7.074 507 HG LEU 61 HG LEU 61 -3.396 2.697 6.912 508 HD11 LEU 61 1HD1 LEU 61 -3.815 3.533 4.631 509 HD12 LEU 61 2HD1 LEU 61 -4.238 4.761 5.871 510 HD13 LEU 61 3HD1 LEU 61 -2.714 4.919 4.934 511 HD21 LEU 61 3HD2 LEU 61 -1.050 1.990 6.604 512 HD22 LEU 61 1HD2 LEU 61 -1.955 1.926 5.054 513 HD23 LEU 61 2HD2 LEU 61 -0.818 3.279 5.375 514 H ASN 62 H ASN 62 -2.507 5.283 10.464 515 HA ASN 62 HA ASN 62 -0.293 6.965 10.845 516 HB2 ASN 62 2HB ASN 62 -2.643 7.560 11.346 517 HB3 ASN 62 3HB ASN 62 -2.653 6.398 12.680 518 HD21 ASN 62 1HD2 ASN 62 -2.263 7.174 14.597 519 HD22 ASN 62 2HD2 ASN 62 -1.319 8.575 14.978 520 H GLU 63 H GLU 63 -1.413 3.972 12.574 521 HA GLU 63 HA GLU 63 0.420 4.227 14.706 522 HB2 GLU 63 2HB GLU 63 -1.130 1.906 13.480 523 HB3 GLU 63 3HB GLU 63 -0.043 1.684 14.858 524 HG2 GLU 63 2HG GLU 63 -1.401 3.480 16.084 525 HG3 GLU 63 3HG GLU 63 -2.559 3.412 14.749 526 H TYR 64 H TYR 64 0.679 2.903 11.374 527 HA TYR 64 HA TYR 64 3.208 1.648 11.903 528 HB2 TYR 64 2HB TYR 64 1.489 1.008 10.105 529 HB3 TYR 64 3HB TYR 64 1.976 2.466 9.230 530 HD1 TYR 64 HD1 TYR 64 3.236 -0.790 10.565 531 HD2 TYR 64 HD2 TYR 64 3.955 2.498 7.905 532 HE1 TYR 64 HE1 TYR 64 5.110 -2.039 9.537 533 HE2 TYR 64 HE2 TYR 64 5.828 1.255 6.867 534 HH TYR 64 HH TYR 64 6.432 -2.137 7.624 535 H GLY 65 H GLY 65 2.071 4.912 10.930 536 HA2 GLY 65 2HA GLY 65 3.307 6.773 11.455 537 HA3 GLY 65 3HA GLY 65 4.771 5.788 11.578 538 H ILE 66 H ILE 66 2.471 5.808 8.766 539 HA ILE 66 HA ILE 66 4.633 6.626 7.050 540 HB ILE 66 HB ILE 66 3.018 6.342 5.239 541 HG12 ILE 66 2HG1 ILE 66 0.894 5.799 7.359 542 HG13 ILE 66 3HG1 ILE 66 1.103 7.377 6.590 543 HG21 ILE 66 1HG2 ILE 66 2.387 3.977 5.595 544 HG22 ILE 66 2HG2 ILE 66 4.061 4.314 6.153 545 HG23 ILE 66 3HG2 ILE 66 2.731 4.154 7.349 546 HD11 ILE 66 3HD1 ILE 66 0.470 4.762 5.150 547 HD12 ILE 66 1HD1 ILE 66 -0.683 6.093 5.503 548 HD13 ILE 66 2HD1 ILE 66 0.683 6.365 4.368 549 H THR 67 H THR 67 4.530 8.560 5.630 550 HA THR 67 HA THR 67 3.040 10.711 6.969 551 HB THR 67 HB THR 67 4.872 12.220 6.379 552 HG1 THR 67 HG1 THR 67 6.804 11.313 5.366 553 HG21 THR 67 3HG2 THR 67 5.922 9.635 7.632 554 HG22 THR 67 1HG2 THR 67 6.690 11.254 7.760 555 HG23 THR 67 2HG2 THR 67 5.077 10.964 8.494 556 H GLU 68 H GLU 68 3.173 12.793 5.259 557 HA GLU 68 HA GLU 68 1.350 12.128 3.254 558 HB2 GLU 68 2HB GLU 68 1.588 14.372 4.246 559 HB3 GLU 68 3HB GLU 68 3.212 14.530 3.563 560 HG2 GLU 68 2HG GLU 68 2.289 14.486 1.270 561 HG3 GLU 68 3HG GLU 68 0.660 14.222 1.905 562 H PHE 69 H PHE 69 4.903 11.965 3.297 563 HA PHE 69 HA PHE 69 4.920 11.919 0.350 564 HB2 PHE 69 2HB PHE 69 7.170 12.376 2.370 565 HB3 PHE 69 3HB PHE 69 7.349 12.385 0.610 566 HD1 PHE 69 HD1 PHE 69 6.156 14.166 -0.743 567 HD2 PHE 69 HD2 PHE 69 6.409 14.298 3.544 568 HE1 PHE 69 HE1 PHE 69 5.615 16.582 -0.786 569 HE2 PHE 69 HE2 PHE 69 5.862 16.713 3.500 570 HZ PHE 69 HZ PHE 69 5.465 17.858 1.338 571 H SER 70 H SER 70 4.201 9.638 2.351 572 HA SER 70 HA SER 70 6.383 7.883 2.529 573 HB2 SER 70 2HB SER 70 4.348 7.708 3.896 574 HB3 SER 70 3HB SER 70 3.370 7.396 2.455 575 HG SER 70 HG SER 70 3.857 5.427 3.438 576 H GLU 71 H GLU 71 7.399 6.596 1.041 577 HA GLU 71 HA GLU 71 5.962 6.110 -1.485 578 HB2 GLU 71 2HB GLU 71 8.917 6.075 -0.724 579 HB3 GLU 71 3HB GLU 71 8.309 5.420 -2.250 580 HG2 GLU 71 2HG GLU 71 7.322 7.702 -2.763 581 HG3 GLU 71 3HG GLU 71 8.106 8.319 -1.303 582 H ILE 72 H ILE 72 5.032 4.117 -1.706 583 HA ILE 72 HA ILE 72 6.212 1.956 -0.098 584 HB ILE 72 HB ILE 72 3.266 2.395 -0.813 585 HG12 ILE 72 2HG1 ILE 72 4.682 2.601 1.888 586 HG13 ILE 72 3HG1 ILE 72 4.217 3.988 0.894 587 HG21 ILE 72 1HG2 ILE 72 2.861 0.491 0.711 588 HG22 ILE 72 2HG2 ILE 72 3.878 0.020 -0.693 589 HG23 ILE 72 3HG2 ILE 72 4.633 0.283 0.915 590 HD11 ILE 72 3HD1 ILE 72 2.309 1.915 2.068 591 HD12 ILE 72 1HD1 ILE 72 2.576 3.584 2.674 592 HD13 ILE 72 2HD1 ILE 72 1.836 3.323 1.059 593 H VAL 73 H VAL 73 6.634 0.001 -1.176 594 HA VAL 73 HA VAL 73 6.278 0.208 -4.069 595 HB VAL 73 HB VAL 73 8.174 -1.492 -2.369 596 HG11 VAL 73 1HG1 VAL 73 9.265 -2.053 -4.520 597 HG12 VAL 73 2HG1 VAL 73 7.566 -2.633 -4.461 598 HG13 VAL 73 3HG1 VAL 73 7.979 -1.159 -5.400 599 HG21 VAL 73 3HG2 VAL 73 8.727 0.902 -2.337 600 HG22 VAL 73 1HG2 VAL 73 9.932 -0.020 -3.299 601 HG23 VAL 73 2HG2 VAL 73 8.672 0.952 -4.131 602 H VAL 74 H VAL 74 5.050 -1.295 -5.216 603 HA VAL 74 HA VAL 74 3.876 -3.428 -3.567 604 HB VAL 74 HB VAL 74 2.685 -1.963 -5.979 605 HG11 VAL 74 1HG1 VAL 74 0.606 -3.165 -5.378 606 HG12 VAL 74 2HG1 VAL 74 1.933 -4.297 -5.809 607 HG13 VAL 74 3HG1 VAL 74 1.493 -4.044 -4.086 608 HG21 VAL 74 3HG2 VAL 74 2.810 -0.517 -3.996 609 HG22 VAL 74 1HG2 VAL 74 1.111 -0.991 -4.334 610 HG23 VAL 74 2HG2 VAL 74 2.017 -1.787 -3.003 611 H PHE 75 H PHE 75 4.045 -5.549 -4.311 612 HA PHE 75 HA PHE 75 5.347 -5.862 -6.940 613 HB2 PHE 75 2HB PHE 75 5.459 -7.584 -4.415 614 HB3 PHE 75 3HB PHE 75 6.179 -8.031 -5.967 615 HD1 PHE 75 HD1 PHE 75 8.086 -6.698 -6.891 616 HD2 PHE 75 HD2 PHE 75 6.512 -5.997 -2.956 617 HE1 PHE 75 HE1 PHE 75 10.149 -5.475 -6.284 618 HE2 PHE 75 HE2 PHE 75 8.573 -4.767 -2.352 619 HZ PHE 75 HZ PHE 75 10.395 -4.506 -4.012 620 H LEU 76 H LEU 76 4.592 -7.522 -8.365 621 HA LEU 76 HA LEU 76 1.793 -8.226 -7.801 622 HB2 LEU 76 2HB LEU 76 3.421 -8.043 -10.382 623 HB3 LEU 76 3HB LEU 76 1.750 -8.614 -10.301 624 HG LEU 76 HG LEU 76 2.676 -5.814 -9.467 625 HD11 LEU 76 1HD1 LEU 76 1.557 -5.079 -11.539 626 HD12 LEU 76 2HD1 LEU 76 2.919 -6.195 -11.887 627 HD13 LEU 76 3HD1 LEU 76 1.227 -6.790 -11.971 628 HD21 LEU 76 3HD2 LEU 76 0.682 -6.623 -8.255 629 HD22 LEU 76 1HD2 LEU 76 0.249 -5.332 -9.427 630 HD23 LEU 76 2HD2 LEU 76 -0.099 -7.051 -9.814 631 H LYS 77 H LYS 77 1.161 -10.344 -7.528 632 HA LYS 77 HA LYS 77 3.155 -12.419 -8.065 633 HB2 LYS 77 2HB LYS 77 2.025 -12.447 -5.885 634 HB3 LYS 77 3HB LYS 77 0.439 -12.431 -6.667 635 HG2 LYS 77 2HG LYS 77 0.836 -14.691 -5.982 636 HG3 LYS 77 3HG LYS 77 1.028 -14.665 -7.740 637 HD2 LYS 77 2HD LYS 77 3.502 -14.519 -7.486 638 HD3 LYS 77 3HD LYS 77 3.332 -14.487 -5.726 639 HE2 LYS 77 2HE LYS 77 2.108 -16.740 -5.909 640 HE3 LYS 77 3HE LYS 77 2.578 -16.773 -7.614 641 HZ1 LYS 77 3HZ LYS 77 4.448 -16.622 -5.336 642 HZ2 LYS 77 1HZ LYS 77 4.148 -17.948 -6.241 643 HZ3 LYS 77 2HZ LYS 77 4.882 -16.653 -6.910 644 H SER 78 H SER 78 2.792 -14.147 -9.541 645 HA SER 78 HA SER 78 1.333 -13.522 -11.846 646 HB2 SER 78 2HB SER 78 3.268 -15.053 -11.765 647 HB3 SER 78 3HB SER 78 2.352 -16.190 -10.767 648 HG SER 78 HG SER 78 2.344 -16.773 -13.006 649 H ILE 79 H ILE 79 -0.832 -13.565 -12.256 650 HA ILE 79 HA ILE 79 -2.403 -15.526 -10.738 651 HB ILE 79 HB ILE 79 -4.273 -13.852 -10.711 652 HG12 ILE 79 2HG1 ILE 79 -2.118 -11.875 -11.599 653 HG13 ILE 79 3HG1 ILE 79 -3.390 -12.507 -12.653 654 HG21 ILE 79 1HG2 ILE 79 -3.352 -12.443 -8.901 655 HG22 ILE 79 2HG2 ILE 79 -2.847 -14.159 -8.736 656 HG23 ILE 79 3HG2 ILE 79 -1.689 -12.939 -9.366 657 HD11 ILE 79 3HD1 ILE 79 -3.829 -10.871 -10.115 658 HD12 ILE 79 1HD1 ILE 79 -3.972 -10.280 -11.804 659 HD13 ILE 79 2HD1 ILE 79 -5.120 -11.514 -11.185 660 H ASN 80 H ASN 80 -4.827 -15.463 -11.890 661 HA ASN 80 HA ASN 80 -4.219 -15.932 -14.726 662 HB2 ASN 80 2HB ASN 80 -4.978 -17.882 -13.412 663 HB3 ASN 80 3HB ASN 80 -6.459 -17.018 -12.978 664 HD21 ASN 80 1HD2 ASN 80 -6.421 -19.480 -14.249 665 HD22 ASN 80 2HD2 ASN 80 -7.172 -19.287 -15.798 666 H ARG 81 H ARG 81 -4.683 -14.034 -15.842 667 HA ARG 81 HA ARG 81 -7.321 -12.853 -15.276 668 HB2 ARG 81 2HB ARG 81 -4.799 -11.535 -16.314 669 HB3 ARG 81 3HB ARG 81 -6.395 -10.774 -16.292 670 HG2 ARG 81 2HG ARG 81 -4.984 -11.832 -13.807 671 HG3 ARG 81 3HG ARG 81 -4.855 -10.164 -14.380 672 HD2 ARG 81 2HD ARG 81 -7.382 -11.587 -13.524 673 HD3 ARG 81 3HD ARG 81 -6.475 -10.394 -12.585 674 HE ARG 81 HE ARG 81 -7.151 -9.153 -15.003 675 HH11 ARG 81 1HH1 ARG 81 -8.873 -10.579 -12.291 676 HH12 ARG 81 2HH1 ARG 81 -10.224 -9.504 -12.437 677 HH21 ARG 81 1HH2 ARG 81 -8.893 -7.791 -15.184 678 HH22 ARG 81 2HH2 ARG 81 -10.237 -7.904 -14.097 679 H ALA 82 H ALA 82 -6.744 -15.216 -17.040 680 HA ALA 82 HA ALA 82 -6.843 -14.289 -19.733 681 HB1 ALA 82 3HB ALA 82 -7.632 -16.947 -18.443 682 HB2 ALA 82 1HB ALA 82 -7.445 -16.651 -20.205 683 HB3 ALA 82 2HB ALA 82 -6.021 -16.527 -19.118 684 H LYS 83 H LYS 83 -8.694 -14.486 -21.225 685 HA LYS 83 HA LYS 83 -10.767 -13.987 -21.831 686 HB2 LYS 83 2HB LYS 83 -11.521 -15.529 -19.301 687 HB3 LYS 83 3HB LYS 83 -12.615 -15.131 -20.632 688 HG2 LYS 83 2HG LYS 83 -11.207 -16.509 -22.182 689 HG3 LYS 83 3HG LYS 83 -10.149 -16.931 -20.829 690 HD2 LYS 83 2HD LYS 83 -12.147 -17.906 -19.620 691 HD3 LYS 83 3HD LYS 83 -13.143 -17.558 -21.039 692 HE2 LYS 83 2HE LYS 83 -11.698 -19.016 -22.441 693 HE3 LYS 83 3HE LYS 83 -10.640 -19.326 -21.058 694 HZ1 LYS 83 3HZ LYS 83 -13.492 -20.064 -21.215 695 HZ2 LYS 83 1HZ LYS 83 -12.229 -21.088 -21.367 696 HZ3 LYS 83 2HZ LYS 83 -12.515 -20.350 -19.939 697 H ASP 84 H ASP 84 -9.364 -11.976 -20.216 698 HA ASP 84 HA ASP 84 -11.727 -10.723 -18.965 699 HB2 ASP 84 2HB ASP 84 -8.770 -10.628 -18.236 700 HB3 ASP 84 3HB ASP 84 -9.912 -9.392 -17.692 Start of MODEL 19 1 H ALA 1 1H ALA 1 -5.205 22.729 2.373 2 HA ALA 1 HA ALA 1 -5.575 20.894 3.903 3 HB1 ALA 1 3HB ALA 1 -5.013 23.660 5.080 4 HB2 ALA 1 1HB ALA 1 -4.594 22.091 5.845 5 HB3 ALA 1 2HB ALA 1 -3.816 22.572 4.300 6 H ALA 2 H ALA 2 -8.319 21.524 3.292 7 HA ALA 2 HA ALA 2 -9.601 22.495 5.662 8 HB1 ALA 2 3HB ALA 2 -10.649 20.999 3.208 9 HB2 ALA 2 1HB ALA 2 -11.660 21.795 4.461 10 HB3 ALA 2 2HB ALA 2 -10.579 22.781 3.418 11 H VAL 3 H VAL 3 -8.430 19.334 4.532 12 HA VAL 3 HA VAL 3 -9.798 18.138 6.835 13 HB VAL 3 HB VAL 3 -10.030 16.038 5.467 14 HG11 VAL 3 1HG1 VAL 3 -11.971 16.814 4.141 15 HG12 VAL 3 2HG1 VAL 3 -11.937 17.560 5.774 16 HG13 VAL 3 3HG1 VAL 3 -11.423 18.512 4.340 17 HG21 VAL 3 3HG2 VAL 3 -8.286 16.500 3.798 18 HG22 VAL 3 1HG2 VAL 3 -9.869 16.202 3.004 19 HG23 VAL 3 2HG2 VAL 3 -9.244 17.879 3.160 20 H ARG 4 H ARG 4 -8.612 16.422 7.910 21 HA ARG 4 HA ARG 4 -5.764 16.547 7.460 22 HB2 ARG 4 2HB ARG 4 -7.444 15.049 9.485 23 HB3 ARG 4 3HB ARG 4 -5.679 14.984 9.401 24 HG2 ARG 4 2HG ARG 4 -5.570 17.438 9.772 25 HG3 ARG 4 3HG ARG 4 -7.336 17.504 9.854 26 HD2 ARG 4 2HD ARG 4 -7.266 15.966 11.796 27 HD3 ARG 4 3HD ARG 4 -5.499 16.008 11.734 28 HE ARG 4 HE ARG 4 -6.458 18.671 11.901 29 HH11 ARG 4 1HH1 ARG 4 -6.326 15.768 13.878 30 HH12 ARG 4 2HH1 ARG 4 -6.253 16.648 15.368 31 HH21 ARG 4 1HH2 ARG 4 -6.375 19.785 13.817 32 HH22 ARG 4 2HH2 ARG 4 -6.282 18.955 15.335 33 H LYS 5 H LYS 5 -6.332 15.630 5.105 34 HA LYS 5 HA LYS 5 -6.224 12.693 5.272 35 HB2 LYS 5 2HB LYS 5 -6.789 14.625 2.977 36 HB3 LYS 5 3HB LYS 5 -6.573 12.883 2.764 37 HG2 LYS 5 2HG LYS 5 -8.520 12.490 4.319 38 HG3 LYS 5 3HG LYS 5 -8.760 14.240 4.416 39 HD2 LYS 5 2HD LYS 5 -9.142 14.364 1.975 40 HD3 LYS 5 3HD LYS 5 -8.784 12.641 1.802 41 HE2 LYS 5 2HE LYS 5 -10.721 12.147 3.377 42 HE3 LYS 5 3HE LYS 5 -11.115 13.871 3.361 43 HZ1 LYS 5 3HZ LYS 5 -11.053 12.117 0.989 44 HZ2 LYS 5 1HZ LYS 5 -12.396 12.655 1.746 45 HZ3 LYS 5 2HZ LYS 5 -11.418 13.709 0.974 46 H ILE 6 H ILE 6 -4.571 11.552 3.973 47 HA ILE 6 HA ILE 6 -2.295 13.276 3.291 48 HB ILE 6 HB ILE 6 -0.785 11.438 4.043 49 HG12 ILE 6 2HG1 ILE 6 -3.296 10.207 5.269 50 HG13 ILE 6 3HG1 ILE 6 -2.544 9.629 3.777 51 HG21 ILE 6 1HG2 ILE 6 -1.067 11.792 6.474 52 HG22 ILE 6 2HG2 ILE 6 -1.273 13.317 5.548 53 HG23 ILE 6 3HG2 ILE 6 -2.712 12.450 6.184 54 HD11 ILE 6 3HD1 ILE 6 -1.213 9.726 6.521 55 HD12 ILE 6 1HD1 ILE 6 -1.858 8.266 5.697 56 HD13 ILE 6 2HD1 ILE 6 -0.449 9.139 5.005 57 H HIS 7 H HIS 7 -0.870 12.368 1.561 58 HA HIS 7 HA HIS 7 -2.220 10.255 0.004 59 HB2 HIS 7 2HB HIS 7 -0.560 12.634 -0.967 60 HB3 HIS 7 3HB HIS 7 -1.151 11.324 -1.997 61 HD2 HIS 7 HD2 HIS 7 -3.821 11.547 -2.795 62 HE1 HIS 7 HE1 HIS 7 -4.676 15.119 -0.597 63 H VAL 8 H VAL 8 -0.935 8.532 -0.752 64 HA VAL 8 HA VAL 8 1.890 8.674 0.050 65 HB VAL 8 HB VAL 8 1.763 6.204 0.415 66 HG11 VAL 8 1HG1 VAL 8 0.504 6.288 2.544 67 HG12 VAL 8 2HG1 VAL 8 1.530 7.744 2.316 68 HG13 VAL 8 3HG1 VAL 8 -0.242 7.841 2.037 69 HG21 VAL 8 3HG2 VAL 8 -0.132 5.710 -1.068 70 HG22 VAL 8 1HG2 VAL 8 -0.452 5.117 0.596 71 HG23 VAL 8 2HG2 VAL 8 -1.235 6.625 0.014 72 H THR 9 H THR 9 3.424 7.567 -1.364 73 HA THR 9 HA THR 9 2.447 7.464 -4.093 74 HB THR 9 HB THR 9 5.270 7.273 -2.918 75 HG1 THR 9 HG1 THR 9 5.410 9.449 -3.831 76 HG21 THR 9 3HG2 THR 9 4.324 7.548 -5.813 77 HG22 THR 9 1HG2 THR 9 6.028 7.619 -5.251 78 HG23 THR 9 2HG2 THR 9 5.089 6.098 -5.080 79 H VAL 10 H VAL 10 1.785 5.527 -4.973 80 HA VAL 10 HA VAL 10 2.855 3.089 -3.762 81 HB VAL 10 HB VAL 10 0.475 3.562 -5.626 82 HG11 VAL 10 1HG1 VAL 10 -0.082 1.191 -5.184 83 HG12 VAL 10 2HG1 VAL 10 1.497 1.363 -6.023 84 HG13 VAL 10 3HG1 VAL 10 1.449 1.009 -4.263 85 HG21 VAL 10 3HG2 VAL 10 0.117 4.411 -3.347 86 HG22 VAL 10 1HG2 VAL 10 -0.876 2.945 -3.645 87 HG23 VAL 10 2HG2 VAL 10 0.625 2.830 -2.664 88 H LYS 11 H LYS 11 4.509 2.026 -4.834 89 HA LYS 11 HA LYS 11 5.009 2.940 -7.589 90 HB2 LYS 11 2HB LYS 11 6.902 1.856 -5.450 91 HB3 LYS 11 3HB LYS 11 7.373 2.333 -7.086 92 HG2 LYS 11 2HG LYS 11 6.909 4.652 -6.659 93 HG3 LYS 11 3HG LYS 11 6.027 4.286 -5.171 94 HD2 LYS 11 2HD LYS 11 8.198 5.085 -4.501 95 HD3 LYS 11 3HD LYS 11 8.191 3.341 -4.206 96 HE2 LYS 11 2HE LYS 11 9.270 3.053 -6.521 97 HE3 LYS 11 3HE LYS 11 9.457 4.811 -6.572 98 HZ1 LYS 11 3HZ LYS 11 10.729 2.911 -4.737 99 HZ2 LYS 11 1HZ LYS 11 11.429 4.030 -5.698 100 HZ3 LYS 11 2HZ LYS 11 10.629 4.495 -4.353 101 H PHE 12 H PHE 12 4.441 1.421 -9.133 102 HA PHE 12 HA PHE 12 5.236 -1.353 -8.544 103 HB2 PHE 12 2HB PHE 12 3.426 -0.089 -10.652 104 HB3 PHE 12 3HB PHE 12 3.991 -1.762 -10.757 105 HD1 PHE 12 HD1 PHE 12 1.995 0.619 -8.701 106 HD2 PHE 12 HD2 PHE 12 3.003 -3.491 -9.440 107 HE1 PHE 12 HE1 PHE 12 0.127 -0.104 -7.243 108 HE2 PHE 12 HE2 PHE 12 1.136 -4.211 -7.984 109 HZ PHE 12 HZ PHE 12 -0.306 -2.518 -6.885 110 HA PRO 13 HA PRO 13 8.760 -1.095 -11.184 111 HB2 PRO 13 2HB PRO 13 8.566 -3.549 -12.530 112 HB3 PRO 13 3HB PRO 13 9.118 -3.437 -10.854 113 HG2 PRO 13 2HG PRO 13 6.344 -4.081 -11.910 114 HG3 PRO 13 3HG PRO 13 7.253 -4.881 -10.622 115 HD2 PRO 13 2HD PRO 13 5.320 -3.099 -9.993 116 HD3 PRO 13 3HD PRO 13 6.813 -3.139 -9.046 117 H SER 14 H SER 14 5.558 -1.551 -12.626 118 HA SER 14 HA SER 14 6.704 -0.924 -15.257 119 HB2 SER 14 2HB SER 14 4.528 -1.625 -16.110 120 HB3 SER 14 3HB SER 14 5.209 -2.881 -15.068 121 HG SER 14 HG SER 14 2.969 -2.492 -14.639 122 H LYS 15 H LYS 15 4.898 0.492 -12.562 123 HA LYS 15 HA LYS 15 4.783 3.028 -13.856 124 HB2 LYS 15 2HB LYS 15 2.357 3.254 -13.963 125 HB3 LYS 15 3HB LYS 15 2.892 1.936 -15.015 126 HG2 LYS 15 2HG LYS 15 2.215 0.275 -13.278 127 HG3 LYS 15 3HG LYS 15 1.681 1.593 -12.226 128 HD2 LYS 15 2HD LYS 15 -0.006 2.298 -13.880 129 HD3 LYS 15 3HD LYS 15 0.588 1.110 -15.048 130 HE2 LYS 15 2HE LYS 15 0.014 -0.728 -13.402 131 HE3 LYS 15 3HE LYS 15 -0.677 0.493 -12.327 132 HZ1 LYS 15 3HZ LYS 15 -1.588 0.112 -15.102 133 HZ2 LYS 15 1HZ LYS 15 -2.275 -0.634 -13.823 134 HZ3 LYS 15 2HZ LYS 15 -2.311 0.994 -13.935 135 H GLN 16 H GLN 16 3.807 4.705 -12.380 136 HA GLN 16 HA GLN 16 3.508 3.708 -9.626 137 HB2 GLN 16 2HB GLN 16 5.066 6.179 -10.538 138 HB3 GLN 16 3HB GLN 16 4.738 5.737 -8.858 139 HG2 GLN 16 2HG GLN 16 6.049 3.646 -9.143 140 HG3 GLN 16 3HG GLN 16 6.364 4.065 -10.831 141 HE21 GLN 16 1HE2 GLN 16 8.579 3.662 -9.546 142 HE22 GLN 16 2HE2 GLN 16 9.381 5.118 -9.058 143 H PHE 17 H PHE 17 2.078 4.996 -8.275 144 HA PHE 17 HA PHE 17 0.874 7.359 -9.399 145 HB2 PHE 17 2HB PHE 17 -1.435 6.478 -9.294 146 HB3 PHE 17 3HB PHE 17 -0.472 5.660 -10.531 147 HD1 PHE 17 HD1 PHE 17 -2.143 5.303 -7.263 148 HD2 PHE 17 HD2 PHE 17 0.190 3.320 -10.275 149 HE1 PHE 17 HE1 PHE 17 -2.716 3.111 -6.265 150 HE2 PHE 17 HE2 PHE 17 -0.385 1.128 -9.276 151 HZ PHE 17 HZ PHE 17 -1.837 1.022 -7.267 152 H THR 18 H THR 18 -0.688 8.366 -7.790 153 HA THR 18 HA THR 18 0.273 7.702 -5.105 154 HB THR 18 HB THR 18 -0.530 9.997 -4.518 155 HG1 THR 18 HG1 THR 18 -1.130 11.397 -6.327 156 HG21 THR 18 3HG2 THR 18 1.327 9.880 -6.945 157 HG22 THR 18 1HG2 THR 18 1.198 11.244 -5.783 158 HG23 THR 18 2HG2 THR 18 1.807 9.648 -5.230 159 H VAL 19 H VAL 19 -1.254 7.604 -3.298 160 HA VAL 19 HA VAL 19 -4.046 7.307 -4.165 161 HB VAL 19 HB VAL 19 -2.490 5.566 -2.185 162 HG11 VAL 19 1HG1 VAL 19 -4.603 4.297 -1.950 163 HG12 VAL 19 2HG1 VAL 19 -4.777 5.994 -1.389 164 HG13 VAL 19 3HG1 VAL 19 -5.437 5.504 -2.986 165 HG21 VAL 19 3HG2 VAL 19 -2.043 5.018 -4.541 166 HG22 VAL 19 1HG2 VAL 19 -3.031 3.735 -3.763 167 HG23 VAL 19 2HG2 VAL 19 -3.807 4.922 -4.866 168 H GLU 20 H GLU 20 -5.631 8.141 -2.716 169 HA GLU 20 HA GLU 20 -4.510 9.847 -0.617 170 HB2 GLU 20 2HB GLU 20 -6.013 10.822 -2.355 171 HB3 GLU 20 3HB GLU 20 -7.295 9.705 -1.871 172 HG2 GLU 20 2HG GLU 20 -7.409 10.736 0.363 173 HG3 GLU 20 3HG GLU 20 -6.039 11.788 -0.018 174 H VAL 21 H VAL 21 -4.513 9.135 1.475 175 HA VAL 21 HA VAL 21 -6.686 7.333 2.254 176 HB VAL 21 HB VAL 21 -5.032 5.979 3.559 177 HG11 VAL 21 1HG1 VAL 21 -4.092 4.749 1.630 178 HG12 VAL 21 2HG1 VAL 21 -5.807 5.207 1.360 179 HG13 VAL 21 3HG1 VAL 21 -4.494 6.132 0.557 180 HG21 VAL 21 3HG2 VAL 21 -3.258 7.668 3.765 181 HG22 VAL 21 1HG2 VAL 21 -2.625 6.165 3.014 182 HG23 VAL 21 2HG2 VAL 21 -2.971 7.602 1.993 183 H ASP 22 H ASP 22 -6.691 7.080 4.790 184 HA ASP 22 HA ASP 22 -5.858 9.641 5.988 185 HB2 ASP 22 2HB ASP 22 -8.329 8.907 5.980 186 HB3 ASP 22 3HB ASP 22 -7.852 7.606 7.078 187 H ARG 23 H ARG 23 -4.701 9.633 8.004 188 HA ARG 23 HA ARG 23 -2.818 7.545 8.147 189 HB2 ARG 23 2HB ARG 23 -1.845 8.722 9.948 190 HB3 ARG 23 3HB ARG 23 -2.367 9.898 8.734 191 HG2 ARG 23 2HG ARG 23 -4.413 10.358 10.109 192 HG3 ARG 23 3HG ARG 23 -3.807 9.241 11.340 193 HD2 ARG 23 2HD ARG 23 -1.804 10.643 11.614 194 HD3 ARG 23 3HD ARG 23 -2.430 11.765 10.398 195 HE ARG 23 HE ARG 23 -4.356 11.436 12.476 196 HH11 ARG 23 1HH1 ARG 23 -1.207 12.896 11.918 197 HH12 ARG 23 2HH1 ARG 23 -1.458 14.154 13.081 198 HH21 ARG 23 1HH2 ARG 23 -4.658 13.048 13.969 199 HH22 ARG 23 2HH2 ARG 23 -3.437 14.242 14.259 200 H THR 24 H THR 24 -6.008 7.976 9.616 201 HA THR 24 HA THR 24 -5.349 6.127 11.760 202 HB THR 24 HB THR 24 -7.638 6.623 12.568 203 HG1 THR 24 HG1 THR 24 -7.790 8.386 10.253 204 HG21 THR 24 3HG2 THR 24 -6.090 9.126 11.739 205 HG22 THR 24 1HG2 THR 24 -7.336 9.037 13.029 206 HG23 THR 24 2HG2 THR 24 -5.794 8.134 13.206 207 H GLU 25 H GLU 25 -6.373 5.942 8.492 208 HA GLU 25 HA GLU 25 -8.195 3.738 8.831 209 HB2 GLU 25 2HB GLU 25 -6.792 5.071 6.483 210 HB3 GLU 25 3HB GLU 25 -7.702 3.568 6.280 211 HG2 GLU 25 2HG GLU 25 -8.932 6.072 7.516 212 HG3 GLU 25 3HG GLU 25 -8.938 5.768 5.774 213 H THR 26 H THR 26 -7.764 1.525 7.981 214 HA THR 26 HA THR 26 -5.168 0.693 8.919 215 HB THR 26 HB THR 26 -6.091 -1.603 8.612 216 HG1 THR 26 HG1 THR 26 -8.449 -1.655 8.036 217 HG21 THR 26 3HG2 THR 26 -8.004 0.335 10.005 218 HG22 THR 26 1HG2 THR 26 -7.910 -1.436 10.287 219 HG23 THR 26 2HG2 THR 26 -6.519 -0.383 10.715 220 H VAL 27 H VAL 27 -3.950 -1.071 7.607 221 HA VAL 27 HA VAL 27 -3.229 -0.047 5.130 222 HB VAL 27 HB VAL 27 -2.865 -2.795 6.413 223 HG11 VAL 27 1HG1 VAL 27 -1.152 -3.232 4.678 224 HG12 VAL 27 2HG1 VAL 27 -2.792 -3.056 3.968 225 HG13 VAL 27 3HG1 VAL 27 -1.612 -1.708 3.846 226 HG21 VAL 27 3HG2 VAL 27 -1.730 -0.921 7.527 227 HG22 VAL 27 1HG2 VAL 27 -0.541 -2.004 6.727 228 HG23 VAL 27 2HG2 VAL 27 -0.978 -0.434 5.970 229 H SER 28 H SER 28 -5.805 -2.355 6.058 230 HA SER 28 HA SER 28 -6.129 -3.635 3.588 231 HB2 SER 28 2HB SER 28 -8.264 -4.296 4.451 232 HB3 SER 28 3HB SER 28 -7.128 -4.283 5.806 233 HG SER 28 HG SER 28 -7.939 -2.095 6.288 234 H SER 29 H SER 29 -7.148 -0.387 4.735 235 HA SER 29 HA SER 29 -8.979 0.096 2.621 236 HB2 SER 29 2HB SER 29 -7.309 1.933 4.394 237 HB3 SER 29 3HB SER 29 -8.556 2.496 3.273 238 HG SER 29 HG SER 29 -9.307 2.211 5.472 239 H LEU 30 H LEU 30 -5.406 0.673 3.020 240 HA LEU 30 HA LEU 30 -5.063 1.882 0.495 241 HB2 LEU 30 2HB LEU 30 -3.401 1.985 2.309 242 HB3 LEU 30 3HB LEU 30 -3.199 0.229 2.266 243 HG LEU 30 HG LEU 30 -2.293 0.413 -0.078 244 HD11 LEU 30 1HD1 LEU 30 -1.661 2.645 -0.919 245 HD12 LEU 30 2HD1 LEU 30 -3.439 2.496 -0.717 246 HD13 LEU 30 3HD1 LEU 30 -2.471 3.408 0.490 247 HD21 LEU 30 3HD2 LEU 30 -0.805 0.341 1.890 248 HD22 LEU 30 1HD2 LEU 30 -0.128 1.394 0.603 249 HD23 LEU 30 2HD2 LEU 30 -0.911 2.127 2.043 250 H LYS 31 H LYS 31 -5.044 -1.588 1.582 251 HA LYS 31 HA LYS 31 -4.200 -2.689 -0.833 252 HB2 LYS 31 2HB LYS 31 -4.331 -3.977 1.230 253 HB3 LYS 31 3HB LYS 31 -6.074 -3.706 1.353 254 HG2 LYS 31 2HG LYS 31 -6.412 -5.029 -0.752 255 HG3 LYS 31 3HG LYS 31 -4.670 -5.328 -0.829 256 HD2 LYS 31 2HD LYS 31 -5.721 -7.258 0.209 257 HD3 LYS 31 3HD LYS 31 -4.786 -6.411 1.448 258 HE2 LYS 31 2HE LYS 31 -6.836 -5.305 2.289 259 HE3 LYS 31 3HE LYS 31 -7.794 -6.042 0.998 260 HZ1 LYS 31 3HZ LYS 31 -6.389 -7.495 3.146 261 HZ2 LYS 31 1HZ LYS 31 -8.003 -7.290 3.009 262 HZ3 LYS 31 2HZ LYS 31 -7.201 -8.210 1.924 263 H ASP 32 H ASP 32 -7.562 -1.844 0.318 264 HA ASP 32 HA ASP 32 -8.924 -2.766 -1.921 265 HB2 ASP 32 2HB ASP 32 -9.405 -0.457 0.010 266 HB3 ASP 32 3HB ASP 32 -10.549 -0.865 -1.275 267 H LYS 33 H LYS 33 -7.290 0.439 -1.332 268 HA LYS 33 HA LYS 33 -8.206 1.628 -3.707 269 HB2 LYS 33 2HB LYS 33 -5.772 2.103 -1.929 270 HB3 LYS 33 3HB LYS 33 -6.168 3.127 -3.316 271 HG2 LYS 33 2HG LYS 33 -8.113 2.633 -1.014 272 HG3 LYS 33 3HG LYS 33 -6.941 3.957 -1.018 273 HD2 LYS 33 2HD LYS 33 -7.910 4.741 -3.228 274 HD3 LYS 33 3HD LYS 33 -9.141 3.478 -3.097 275 HE2 LYS 33 2HE LYS 33 -9.909 4.450 -0.924 276 HE3 LYS 33 3HE LYS 33 -8.676 5.711 -1.051 277 HZ1 LYS 33 3HZ LYS 33 -10.879 5.290 -2.967 278 HZ2 LYS 33 1HZ LYS 33 -10.802 6.472 -1.844 279 HZ3 LYS 33 2HZ LYS 33 -9.740 6.454 -3.084 280 H ILE 34 H ILE 34 -5.279 -0.391 -2.959 281 HA ILE 34 HA ILE 34 -4.074 0.002 -5.463 282 HB ILE 34 HB ILE 34 -3.896 -2.232 -3.382 283 HG12 ILE 34 2HG1 ILE 34 -1.878 -0.083 -4.171 284 HG13 ILE 34 3HG1 ILE 34 -3.065 0.132 -2.877 285 HG21 ILE 34 1HG2 ILE 34 -1.882 -3.011 -4.586 286 HG22 ILE 34 2HG2 ILE 34 -3.363 -3.168 -5.590 287 HG23 ILE 34 3HG2 ILE 34 -2.209 -1.826 -5.894 288 HD11 ILE 34 3HD1 ILE 34 -0.920 -2.036 -2.986 289 HD12 ILE 34 1HD1 ILE 34 -0.888 -0.552 -1.975 290 HD13 ILE 34 2HD1 ILE 34 -2.125 -1.818 -1.672 291 H HIS 35 H HIS 35 -6.481 -2.431 -4.234 292 HA HIS 35 HA HIS 35 -6.295 -4.109 -6.499 293 HB2 HIS 35 2HB HIS 35 -8.377 -3.692 -4.310 294 HB3 HIS 35 3HB HIS 35 -8.613 -4.864 -5.613 295 HD2 HIS 35 HD2 HIS 35 -4.948 -5.101 -4.855 296 HE1 HIS 35 HE1 HIS 35 -6.824 -7.797 -2.109 297 H ILE 36 H ILE 36 -8.138 -1.110 -5.794 298 HA ILE 36 HA ILE 36 -10.017 -1.347 -7.835 299 HB ILE 36 HB ILE 36 -8.677 1.042 -6.492 300 HG12 ILE 36 2HG1 ILE 36 -11.545 0.007 -6.354 301 HG13 ILE 36 3HG1 ILE 36 -10.274 -0.495 -5.232 302 HG21 ILE 36 1HG2 ILE 36 -10.398 2.465 -7.554 303 HG22 ILE 36 2HG2 ILE 36 -9.307 1.717 -8.768 304 HG23 ILE 36 3HG2 ILE 36 -10.959 1.059 -8.520 305 HD11 ILE 36 3HD1 ILE 36 -11.256 2.365 -5.647 306 HD12 ILE 36 1HD1 ILE 36 -11.653 1.289 -4.264 307 HD13 ILE 36 2HD1 ILE 36 -9.965 1.854 -4.507 308 H VAL 37 H VAL 37 -6.582 -0.173 -7.845 309 HA VAL 37 HA VAL 37 -6.766 0.672 -10.574 310 HB VAL 37 HB VAL 37 -4.394 0.241 -8.689 311 HG11 VAL 37 1HG1 VAL 37 -3.083 1.533 -10.343 312 HG12 VAL 37 2HG1 VAL 37 -3.693 -0.009 -11.031 313 HG13 VAL 37 3HG1 VAL 37 -4.497 1.542 -11.450 314 HG21 VAL 37 3HG2 VAL 37 -5.916 2.041 -7.997 315 HG22 VAL 37 1HG2 VAL 37 -4.363 2.713 -8.596 316 HG23 VAL 37 2HG2 VAL 37 -5.825 2.766 -9.638 317 H GLU 38 H GLU 38 -5.376 -2.178 -8.772 318 HA GLU 38 HA GLU 38 -5.187 -3.532 -11.387 319 HB2 GLU 38 2HB GLU 38 -3.258 -3.577 -9.022 320 HB3 GLU 38 3HB GLU 38 -3.243 -4.795 -10.305 321 HG2 GLU 38 2HG GLU 38 -2.839 -1.793 -10.730 322 HG3 GLU 38 3HG GLU 38 -1.543 -2.993 -10.634 323 H ASN 39 H ASN 39 -6.762 -5.089 -11.432 324 HA ASN 39 HA ASN 39 -7.878 -6.051 -8.981 325 HB2 ASN 39 2HB ASN 39 -9.180 -5.628 -11.073 326 HB3 ASN 39 3HB ASN 39 -8.335 -6.979 -11.842 327 HD21 ASN 39 1HD2 ASN 39 -10.372 -7.931 -12.168 328 HD22 ASN 39 2HD2 ASN 39 -11.114 -8.853 -10.903 329 H THR 40 H THR 40 -5.643 -6.902 -8.197 330 HA THR 40 HA THR 40 -5.483 -9.696 -9.065 331 HB THR 40 HB THR 40 -3.145 -7.819 -8.438 332 HG1 THR 40 HG1 THR 40 -4.442 -8.599 -10.755 333 HG21 THR 40 3HG2 THR 40 -3.177 -10.807 -9.091 334 HG22 THR 40 1HG2 THR 40 -1.712 -9.783 -8.921 335 HG23 THR 40 2HG2 THR 40 -2.775 -10.073 -7.502 336 HA PRO 41 HA PRO 41 -6.252 -10.492 -4.796 337 HB2 PRO 41 2HB PRO 41 -4.497 -12.935 -5.369 338 HB3 PRO 41 3HB PRO 41 -6.100 -12.888 -4.624 339 HG2 PRO 41 2HG PRO 41 -5.875 -13.683 -7.155 340 HG3 PRO 41 3HG PRO 41 -7.210 -12.613 -6.706 341 HD2 PRO 41 2HD PRO 41 -4.637 -11.940 -8.168 342 HD3 PRO 41 3HD PRO 41 -6.267 -11.307 -8.435 343 H ILE 42 H ILE 42 -5.393 -10.034 -2.851 344 HA ILE 42 HA ILE 42 -2.798 -8.947 -2.836 345 HB ILE 42 HB ILE 42 -4.756 -8.296 -1.340 346 HG12 ILE 42 2HG1 ILE 42 -3.326 -7.884 0.661 347 HG13 ILE 42 3HG1 ILE 42 -2.127 -9.024 0.036 348 HG21 ILE 42 1HG2 ILE 42 -5.075 -9.591 0.741 349 HG22 ILE 42 2HG2 ILE 42 -5.482 -10.557 -0.717 350 HG23 ILE 42 3HG2 ILE 42 -3.927 -10.834 0.139 351 HD11 ILE 42 3HD1 ILE 42 -3.000 -6.433 -1.320 352 HD12 ILE 42 1HD1 ILE 42 -1.468 -6.706 -0.423 353 HD13 ILE 42 2HD1 ILE 42 -1.781 -7.590 -1.954 354 H LYS 43 H LYS 43 -4.043 -12.224 -2.314 355 HA LYS 43 HA LYS 43 -1.998 -13.181 -0.637 356 HB2 LYS 43 2HB LYS 43 -3.796 -14.524 -2.709 357 HB3 LYS 43 3HB LYS 43 -2.695 -15.416 -1.652 358 HG2 LYS 43 2HG LYS 43 -3.892 -14.539 0.348 359 HG3 LYS 43 3HG LYS 43 -4.984 -13.624 -0.700 360 HD2 LYS 43 2HD LYS 43 -5.759 -15.747 -1.762 361 HD3 LYS 43 3HD LYS 43 -4.649 -16.671 -0.742 362 HE2 LYS 43 2HE LYS 43 -5.817 -15.838 1.300 363 HE3 LYS 43 3HE LYS 43 -6.914 -14.886 0.292 364 HZ1 LYS 43 3HZ LYS 43 -6.669 -17.826 0.231 365 HZ2 LYS 43 1HZ LYS 43 -7.885 -16.982 0.920 366 HZ3 LYS 43 2HZ LYS 43 -7.682 -16.947 -0.700 367 H ARG 44 H ARG 44 -2.044 -12.347 -4.084 368 HA ARG 44 HA ARG 44 0.484 -13.788 -4.438 369 HB2 ARG 44 2HB ARG 44 -1.308 -12.453 -6.481 370 HB3 ARG 44 3HB ARG 44 0.213 -13.287 -6.823 371 HG2 ARG 44 2HG ARG 44 -2.252 -14.582 -5.578 372 HG3 ARG 44 3HG ARG 44 -1.823 -14.652 -7.293 373 HD2 ARG 44 2HD ARG 44 0.242 -15.823 -6.757 374 HD3 ARG 44 3HD ARG 44 -0.109 -15.696 -5.029 375 HE ARG 44 HE ARG 44 -2.273 -17.012 -6.321 376 HH11 ARG 44 1HH1 ARG 44 1.096 -17.575 -5.495 377 HH12 ARG 44 2HH1 ARG 44 0.892 -19.288 -5.347 378 HH21 ARG 44 1HH2 ARG 44 -2.518 -19.207 -6.137 379 HH22 ARG 44 2HH2 ARG 44 -1.183 -20.227 -5.715 380 H MET 45 H MET 45 -0.986 -10.492 -4.394 381 HA MET 45 HA MET 45 1.402 -9.233 -5.355 382 HB2 MET 45 2HB MET 45 -1.114 -8.199 -3.968 383 HB3 MET 45 3HB MET 45 0.176 -7.158 -4.586 384 HG2 MET 45 2HG MET 45 -0.219 -8.036 -6.886 385 HG3 MET 45 3HG MET 45 -1.509 -9.076 -6.267 386 HE1 MET 45 3HE MET 45 -0.181 -5.706 -7.091 387 HE2 MET 45 1HE MET 45 -1.586 -4.587 -7.092 388 HE3 MET 45 2HE MET 45 -0.762 -4.993 -5.548 389 H GLN 46 H GLN 46 2.986 -8.062 -4.175 390 HA GLN 46 HA GLN 46 2.943 -8.582 -1.275 391 HB2 GLN 46 2HB GLN 46 4.859 -9.519 -2.596 392 HB3 GLN 46 3HB GLN 46 5.263 -7.887 -3.144 393 HG2 GLN 46 2HG GLN 46 5.696 -7.190 -0.804 394 HG3 GLN 46 3HG GLN 46 5.250 -8.802 -0.230 395 HE21 GLN 46 1HE2 GLN 46 7.520 -8.515 0.686 396 HE22 GLN 46 2HE2 GLN 46 8.838 -9.084 -0.282 397 H LEU 47 H LEU 47 2.870 -6.857 0.155 398 HA LEU 47 HA LEU 47 2.980 -4.176 -1.081 399 HB2 LEU 47 2HB LEU 47 0.728 -4.738 -0.337 400 HB3 LEU 47 3HB LEU 47 1.327 -5.303 1.228 401 HG LEU 47 HG LEU 47 2.036 -2.967 1.795 402 HD11 LEU 47 1HD1 LEU 47 1.272 -1.107 0.365 403 HD12 LEU 47 2HD1 LEU 47 2.438 -2.166 -0.498 404 HD13 LEU 47 3HD1 LEU 47 0.683 -2.285 -0.856 405 HD21 LEU 47 3HD2 LEU 47 -0.178 -3.831 2.462 406 HD22 LEU 47 1HD2 LEU 47 -0.255 -2.078 2.081 407 HD23 LEU 47 2HD2 LEU 47 -0.871 -3.281 0.899 408 H TYR 48 H TYR 48 4.950 -3.266 -0.612 409 HA TYR 48 HA TYR 48 5.998 -3.755 2.104 410 HB2 TYR 48 2HB TYR 48 7.423 -4.783 0.428 411 HB3 TYR 48 3HB TYR 48 7.394 -3.329 -0.578 412 HD1 TYR 48 HD1 TYR 48 8.584 -4.672 2.707 413 HD2 TYR 48 HD2 TYR 48 8.965 -1.574 -0.239 414 HE1 TYR 48 HE1 TYR 48 10.617 -3.845 3.848 415 HE2 TYR 48 HE2 TYR 48 11.000 -0.740 0.896 416 HH TYR 48 HH TYR 48 12.549 -1.165 2.457 417 H TYR 49 H TYR 49 6.523 -1.975 3.378 418 HA TYR 49 HA TYR 49 6.323 0.653 2.049 419 HB2 TYR 49 2HB TYR 49 4.588 0.486 3.685 420 HB3 TYR 49 3HB TYR 49 5.647 -0.310 4.857 421 HD1 TYR 49 HD1 TYR 49 5.568 2.918 2.892 422 HD2 TYR 49 HD2 TYR 49 6.373 0.984 6.639 423 HE1 TYR 49 HE1 TYR 49 6.096 5.113 3.908 424 HE2 TYR 49 HE2 TYR 49 6.896 3.176 7.662 425 HH TYR 49 HH TYR 49 6.587 5.465 7.382 426 H SER 50 H SER 50 8.039 2.110 2.257 427 HA SER 50 HA SER 50 10.575 1.540 2.531 428 HB2 SER 50 2HB SER 50 9.680 3.816 2.227 429 HB3 SER 50 3HB SER 50 9.173 3.867 3.921 430 HG SER 50 HG SER 50 11.201 4.927 3.571 431 H GLY 51 H GLY 51 11.452 -0.056 3.846 432 HA2 GLY 51 2HA GLY 51 12.565 -0.466 5.856 433 HA3 GLY 51 3HA GLY 51 11.400 0.545 6.720 434 H ILE 52 H ILE 52 9.015 -0.339 6.726 435 HA ILE 52 HA ILE 52 9.305 -3.156 7.452 436 HB ILE 52 HB ILE 52 7.220 -1.049 8.215 437 HG12 ILE 52 2HG1 ILE 52 9.329 -2.450 9.922 438 HG13 ILE 52 3HG1 ILE 52 9.556 -0.854 9.193 439 HG21 ILE 52 1HG2 ILE 52 6.362 -2.750 9.790 440 HG22 ILE 52 2HG2 ILE 52 6.206 -3.281 8.081 441 HG23 ILE 52 3HG2 ILE 52 7.513 -3.951 9.114 442 HD11 ILE 52 3HD1 ILE 52 7.378 -1.605 11.195 443 HD12 ILE 52 1HD1 ILE 52 8.868 -0.664 11.541 444 HD13 ILE 52 2HD1 ILE 52 7.609 0.015 10.455 445 H GLU 53 H GLU 53 8.215 -4.767 6.327 446 HA GLU 53 HA GLU 53 6.529 -4.072 4.121 447 HB2 GLU 53 2HB GLU 53 7.965 -6.071 4.107 448 HB3 GLU 53 3HB GLU 53 7.141 -6.713 5.534 449 HG2 GLU 53 2HG GLU 53 5.015 -6.868 4.228 450 HG3 GLU 53 3HG GLU 53 5.851 -6.242 2.801 451 H LEU 54 H LEU 54 4.253 -4.184 3.951 452 HA LEU 54 HA LEU 54 3.001 -3.714 6.530 453 HB2 LEU 54 2HB LEU 54 1.948 -3.446 3.672 454 HB3 LEU 54 3HB LEU 54 1.129 -2.884 5.135 455 HG LEU 54 HG LEU 54 3.776 -1.816 4.024 456 HD11 LEU 54 1HD1 LEU 54 2.469 0.246 3.665 457 HD12 LEU 54 2HD1 LEU 54 1.784 -1.137 2.746 458 HD13 LEU 54 3HD1 LEU 54 0.992 -0.585 4.260 459 HD21 LEU 54 3HD2 LEU 54 3.750 -1.824 6.493 460 HD22 LEU 54 1HD2 LEU 54 3.607 -0.154 5.849 461 HD23 LEU 54 2HD2 LEU 54 2.155 -0.999 6.485 462 H ALA 55 H ALA 55 3.211 -6.121 7.131 463 HA ALA 55 HA ALA 55 1.841 -8.024 5.517 464 HB1 ALA 55 3HB ALA 55 2.851 -8.125 8.402 465 HB2 ALA 55 1HB ALA 55 2.310 -9.536 7.431 466 HB3 ALA 55 2HB ALA 55 3.767 -8.611 6.936 467 H ASP 56 H ASP 56 0.903 -5.923 8.278 468 HA ASP 56 HA ASP 56 -1.409 -7.642 8.790 469 HB2 ASP 56 2HB ASP 56 0.063 -6.904 10.668 470 HB3 ASP 56 3HB ASP 56 -0.295 -5.216 10.279 471 H ASP 57 H ASP 57 -3.231 -7.211 7.600 472 HA ASP 57 HA ASP 57 -3.535 -4.771 6.199 473 HB2 ASP 57 2HB ASP 57 -5.362 -7.134 6.807 474 HB3 ASP 57 3HB ASP 57 -5.913 -5.739 5.870 475 H TYR 58 H TYR 58 -4.485 -5.846 9.467 476 HA TYR 58 HA TYR 58 -6.608 -3.843 9.566 477 HB2 TYR 58 2HB TYR 58 -5.690 -6.039 11.489 478 HB3 TYR 58 3HB TYR 58 -7.017 -4.918 11.823 479 HD1 TYR 58 HD1 TYR 58 -9.079 -4.963 10.354 480 HD2 TYR 58 HD2 TYR 58 -6.005 -7.946 10.073 481 HE1 TYR 58 HE1 TYR 58 -10.651 -6.465 9.173 482 HE2 TYR 58 HE2 TYR 58 -7.571 -9.454 8.891 483 HH TYR 58 HH TYR 58 -10.959 -8.429 8.212 484 H ARG 59 H ARG 59 -3.237 -3.977 10.146 485 HA ARG 59 HA ARG 59 -3.247 -2.239 12.434 486 HB2 ARG 59 2HB ARG 59 -1.418 -3.809 12.005 487 HB3 ARG 59 3HB ARG 59 -1.026 -2.958 10.505 488 HG2 ARG 59 2HG ARG 59 -0.409 -0.949 11.721 489 HG3 ARG 59 3HG ARG 59 -0.998 -1.627 13.245 490 HD2 ARG 59 2HD ARG 59 0.727 -3.324 13.207 491 HD3 ARG 59 3HD ARG 59 1.276 -2.777 11.618 492 HE ARG 59 HE ARG 59 1.434 -0.564 13.334 493 HH11 ARG 59 1HH1 ARG 59 2.881 -3.759 13.118 494 HH12 ARG 59 2HH1 ARG 59 4.374 -3.257 13.840 495 HH21 ARG 59 1HH2 ARG 59 3.345 0.062 14.270 496 HH22 ARG 59 2HH2 ARG 59 4.641 -1.064 14.503 497 H ASN 60 H ASN 60 -2.864 0.026 12.489 498 HA ASN 60 HA ASN 60 -4.060 1.330 10.245 499 HB2 ASN 60 2HB ASN 60 -2.939 2.300 12.895 500 HB3 ASN 60 3HB ASN 60 -3.605 3.394 11.675 501 HD21 ASN 60 1HD2 ASN 60 -4.571 3.079 14.287 502 HD22 ASN 60 2HD2 ASN 60 -6.213 2.542 14.163 503 H LEU 61 H LEU 61 -3.128 3.067 8.956 504 HA LEU 61 HA LEU 61 -0.498 2.607 8.097 505 HB2 LEU 61 2HB LEU 61 -2.302 5.060 7.817 506 HB3 LEU 61 3HB LEU 61 -0.819 4.779 6.895 507 HG LEU 61 HG LEU 61 -3.291 2.972 6.802 508 HD11 LEU 61 1HD1 LEU 61 -3.646 3.955 4.568 509 HD12 LEU 61 2HD1 LEU 61 -3.737 5.200 5.859 510 HD13 LEU 61 3HD1 LEU 61 -2.265 5.072 4.838 511 HD21 LEU 61 3HD2 LEU 61 -1.164 1.806 6.340 512 HD22 LEU 61 1HD2 LEU 61 -2.143 1.984 4.845 513 HD23 LEU 61 2HD2 LEU 61 -0.733 3.060 5.128 514 H ASN 62 H ASN 62 -1.874 5.014 10.449 515 HA ASN 62 HA ASN 62 0.551 6.371 10.865 516 HB2 ASN 62 2HB ASN 62 -1.680 7.210 11.529 517 HB3 ASN 62 3HB ASN 62 -1.798 5.937 12.750 518 HD21 ASN 62 1HD2 ASN 62 -1.248 6.469 14.710 519 HD22 ASN 62 2HD2 ASN 62 -0.116 7.694 15.175 520 H GLU 63 H GLU 63 -0.865 3.374 12.333 521 HA GLU 63 HA GLU 63 0.990 3.200 14.446 522 HB2 GLU 63 2HB GLU 63 -0.792 1.214 12.981 523 HB3 GLU 63 3HB GLU 63 0.296 0.698 14.276 524 HG2 GLU 63 2HG GLU 63 -0.839 2.123 15.897 525 HG3 GLU 63 3HG GLU 63 -1.811 2.881 14.629 526 H TYR 64 H TYR 64 1.132 2.252 10.982 527 HA TYR 64 HA TYR 64 3.524 0.695 11.342 528 HB2 TYR 64 2HB TYR 64 1.704 1.551 9.133 529 HB3 TYR 64 3HB TYR 64 3.401 1.367 8.669 530 HD1 TYR 64 HD1 TYR 64 4.522 -0.896 9.746 531 HD2 TYR 64 HD2 TYR 64 0.357 -0.325 8.863 532 HE1 TYR 64 HE1 TYR 64 4.217 -3.348 9.600 533 HE2 TYR 64 HE2 TYR 64 0.051 -2.777 8.716 534 HH TYR 64 HH TYR 64 1.867 -4.944 9.990 535 H GLY 65 H GLY 65 2.762 4.127 11.093 536 HA2 GLY 65 2HA GLY 65 4.275 5.826 11.349 537 HA3 GLY 65 3HA GLY 65 5.609 4.711 11.024 538 H ILE 66 H ILE 66 2.705 5.008 8.890 539 HA ILE 66 HA ILE 66 4.548 5.489 6.718 540 HB ILE 66 HB ILE 66 1.534 4.968 6.822 541 HG12 ILE 66 2HG1 ILE 66 3.819 3.203 5.831 542 HG13 ILE 66 3HG1 ILE 66 3.138 3.102 7.459 543 HG21 ILE 66 1HG2 ILE 66 1.683 4.684 4.369 544 HG22 ILE 66 2HG2 ILE 66 2.098 6.356 4.874 545 HG23 ILE 66 3HG2 ILE 66 3.400 5.207 4.416 546 HD11 ILE 66 3HD1 ILE 66 1.607 2.661 4.856 547 HD12 ILE 66 1HD1 ILE 66 2.175 1.389 5.990 548 HD13 ILE 66 2HD1 ILE 66 0.915 2.558 6.510 549 H THR 67 H THR 67 4.938 7.498 5.821 550 HA THR 67 HA THR 67 3.196 9.658 6.760 551 HB THR 67 HB THR 67 5.082 11.154 6.321 552 HG1 THR 67 HG1 THR 67 6.127 8.781 5.076 553 HG21 THR 67 3HG2 THR 67 5.988 8.621 7.776 554 HG22 THR 67 1HG2 THR 67 6.735 10.247 7.928 555 HG23 THR 67 2HG2 THR 67 5.051 9.977 8.490 556 H GLU 68 H GLU 68 3.367 11.664 5.041 557 HA GLU 68 HA GLU 68 2.294 10.556 2.576 558 HB2 GLU 68 2HB GLU 68 1.556 12.830 2.150 559 HB3 GLU 68 3HB GLU 68 1.112 12.369 3.799 560 HG2 GLU 68 2HG GLU 68 3.138 13.619 4.645 561 HG3 GLU 68 3HG GLU 68 3.462 14.150 2.990 562 H PHE 69 H PHE 69 5.399 11.181 3.667 563 HA PHE 69 HA PHE 69 6.236 12.268 1.055 564 HB2 PHE 69 2HB PHE 69 7.659 12.284 3.762 565 HB3 PHE 69 3HB PHE 69 8.303 12.950 2.255 566 HD1 PHE 69 HD1 PHE 69 6.819 14.780 1.078 567 HD2 PHE 69 HD2 PHE 69 6.450 13.656 5.207 568 HE1 PHE 69 HE1 PHE 69 5.728 16.947 1.570 569 HE2 PHE 69 HE2 PHE 69 5.355 15.822 5.697 570 HZ PHE 69 HZ PHE 69 4.988 17.467 3.880 571 H SER 70 H SER 70 6.575 9.594 3.427 572 HA SER 70 HA SER 70 8.775 8.374 2.056 573 HB2 SER 70 2HB SER 70 8.244 6.464 3.520 574 HB3 SER 70 3HB SER 70 8.343 7.976 4.432 575 HG SER 70 HG SER 70 6.487 6.524 4.897 576 H GLU 71 H GLU 71 8.424 5.931 1.286 577 HA GLU 71 HA GLU 71 6.341 6.229 -0.788 578 HB2 GLU 71 2HB GLU 71 9.198 5.158 -0.960 579 HB3 GLU 71 3HB GLU 71 8.001 5.003 -2.252 580 HG2 GLU 71 2HG GLU 71 7.853 7.474 -2.437 581 HG3 GLU 71 3HG GLU 71 9.005 7.656 -1.108 582 H ILE 72 H ILE 72 5.221 4.335 -1.467 583 HA ILE 72 HA ILE 72 5.816 1.958 0.158 584 HB ILE 72 HB ILE 72 3.162 2.933 -1.016 585 HG12 ILE 72 2HG1 ILE 72 3.996 2.481 1.886 586 HG13 ILE 72 3HG1 ILE 72 4.040 4.056 1.083 587 HG21 ILE 72 1HG2 ILE 72 2.171 0.949 0.080 588 HG22 ILE 72 2HG2 ILE 72 3.353 0.489 -1.191 589 HG23 ILE 72 3HG2 ILE 72 3.813 0.388 0.542 590 HD11 ILE 72 3HD1 ILE 72 1.555 2.334 1.495 591 HD12 ILE 72 1HD1 ILE 72 2.002 3.805 2.424 592 HD13 ILE 72 2HD1 ILE 72 1.600 3.933 0.678 593 H VAL 73 H VAL 73 6.411 0.110 -0.963 594 HA VAL 73 HA VAL 73 6.250 0.336 -3.882 595 HB VAL 73 HB VAL 73 8.135 -1.286 -2.094 596 HG11 VAL 73 1HG1 VAL 73 9.335 -1.810 -4.194 597 HG12 VAL 73 2HG1 VAL 73 7.657 -2.452 -4.204 598 HG13 VAL 73 3HG1 VAL 73 8.055 -0.966 -5.130 599 HG21 VAL 73 3HG2 VAL 73 8.596 1.129 -2.048 600 HG22 VAL 73 1HG2 VAL 73 9.874 0.251 -2.954 601 HG23 VAL 73 2HG2 VAL 73 8.614 1.172 -3.843 602 H VAL 74 H VAL 74 5.010 -1.144 -5.018 603 HA VAL 74 HA VAL 74 4.049 -3.450 -3.467 604 HB VAL 74 HB VAL 74 2.499 -1.786 -5.519 605 HG11 VAL 74 1HG1 VAL 74 0.566 -3.156 -4.807 606 HG12 VAL 74 2HG1 VAL 74 1.868 -4.160 -5.529 607 HG13 VAL 74 3HG1 VAL 74 1.647 -4.122 -3.747 608 HG21 VAL 74 3HG2 VAL 74 2.828 -0.561 -3.416 609 HG22 VAL 74 1HG2 VAL 74 1.118 -1.084 -3.591 610 HG23 VAL 74 2HG2 VAL 74 2.221 -1.972 -2.485 611 H PHE 75 H PHE 75 4.252 -5.453 -4.470 612 HA PHE 75 HA PHE 75 5.296 -5.382 -7.223 613 HB2 PHE 75 2HB PHE 75 5.510 -7.499 -5.025 614 HB3 PHE 75 3HB PHE 75 6.188 -7.645 -6.652 615 HD1 PHE 75 HD1 PHE 75 8.119 -6.274 -7.342 616 HD2 PHE 75 HD2 PHE 75 6.532 -6.061 -3.355 617 HE1 PHE 75 HE1 PHE 75 10.190 -5.156 -6.578 618 HE2 PHE 75 HE2 PHE 75 8.603 -4.935 -2.595 619 HZ PHE 75 HZ PHE 75 10.435 -4.481 -4.202 620 H LEU 76 H LEU 76 4.160 -6.362 -8.884 621 HA LEU 76 HA LEU 76 1.491 -7.284 -8.103 622 HB2 LEU 76 2HB LEU 76 1.661 -5.394 -9.674 623 HB3 LEU 76 3HB LEU 76 2.706 -6.336 -10.745 624 HG LEU 76 HG LEU 76 0.781 -7.960 -11.100 625 HD11 LEU 76 1HD1 LEU 76 -1.479 -7.200 -10.468 626 HD12 LEU 76 2HD1 LEU 76 -0.447 -7.470 -9.023 627 HD13 LEU 76 3HD1 LEU 76 -0.768 -5.799 -9.599 628 HD21 LEU 76 3HD2 LEU 76 1.324 -6.163 -12.702 629 HD22 LEU 76 1HD2 LEU 76 -0.449 -6.433 -12.607 630 HD23 LEU 76 2HD2 LEU 76 0.290 -5.020 -11.780 631 H LYS 77 H LYS 77 0.936 -9.419 -8.189 632 HA LYS 77 HA LYS 77 2.384 -11.078 -10.148 633 HB2 LYS 77 2HB LYS 77 1.608 -11.779 -7.276 634 HB3 LYS 77 3HB LYS 77 2.131 -12.963 -8.481 635 HG2 LYS 77 2HG LYS 77 4.287 -11.520 -8.707 636 HG3 LYS 77 3HG LYS 77 3.759 -10.716 -7.223 637 HD2 LYS 77 2HD LYS 77 3.676 -12.914 -6.046 638 HD3 LYS 77 3HD LYS 77 4.165 -13.738 -7.532 639 HE2 LYS 77 2HE LYS 77 6.322 -12.564 -7.545 640 HE3 LYS 77 3HE LYS 77 5.831 -11.555 -6.178 641 HZ1 LYS 77 3HZ LYS 77 6.170 -14.486 -6.093 642 HZ2 LYS 77 1HZ LYS 77 7.206 -13.385 -5.477 643 HZ3 LYS 77 2HZ LYS 77 5.716 -13.554 -4.832 644 H SER 78 H SER 78 0.638 -10.885 -11.675 645 HA SER 78 HA SER 78 -2.036 -11.567 -10.804 646 HB2 SER 78 2HB SER 78 -0.796 -11.017 -13.537 647 HB3 SER 78 3HB SER 78 -2.518 -11.301 -13.252 648 HG SER 78 HG SER 78 -2.420 -9.463 -11.729 649 H ILE 79 H ILE 79 0.821 -13.259 -12.000 650 HA ILE 79 HA ILE 79 1.194 -15.359 -12.529 651 HB ILE 79 HB ILE 79 -1.416 -16.006 -11.070 652 HG12 ILE 79 2HG1 ILE 79 -0.105 -14.509 -9.663 653 HG13 ILE 79 3HG1 ILE 79 -0.046 -16.153 -9.014 654 HG21 ILE 79 1HG2 ILE 79 -0.243 -18.110 -10.509 655 HG22 ILE 79 2HG2 ILE 79 -0.400 -17.885 -12.284 656 HG23 ILE 79 3HG2 ILE 79 1.173 -17.574 -11.475 657 HD11 ILE 79 3HD1 ILE 79 2.139 -14.811 -10.669 658 HD12 ILE 79 1HD1 ILE 79 2.155 -15.075 -8.893 659 HD13 ILE 79 2HD1 ILE 79 2.199 -16.480 -10.010 660 H ASN 80 H ASN 80 0.169 -14.102 -14.727 661 HA ASN 80 HA ASN 80 -2.131 -15.651 -15.643 662 HB2 ASN 80 2HB ASN 80 -2.230 -14.076 -17.472 663 HB3 ASN 80 3HB ASN 80 -2.167 -13.213 -15.929 664 HD21 ASN 80 1HD2 ASN 80 -1.636 -11.648 -17.834 665 HD22 ASN 80 2HD2 ASN 80 0.055 -11.302 -17.983 666 H ARG 81 H ARG 81 1.023 -16.403 -15.384 667 HA ARG 81 HA ARG 81 1.911 -16.899 -17.973 668 HB2 ARG 81 2HB ARG 81 3.350 -16.979 -16.018 669 HB3 ARG 81 3HB ARG 81 2.490 -18.398 -15.406 670 HG2 ARG 81 2HG ARG 81 3.215 -19.704 -17.380 671 HG3 ARG 81 3HG ARG 81 4.050 -18.284 -18.024 672 HD2 ARG 81 2HD ARG 81 5.500 -18.250 -16.033 673 HD3 ARG 81 3HD ARG 81 4.680 -19.694 -15.424 674 HE ARG 81 HE ARG 81 5.696 -20.189 -18.047 675 HH11 ARG 81 1HH1 ARG 81 6.814 -19.735 -14.747 676 HH12 ARG 81 2HH1 ARG 81 8.208 -20.740 -14.959 677 HH21 ARG 81 1HH2 ARG 81 7.493 -21.463 -18.307 678 HH22 ARG 81 2HH2 ARG 81 8.600 -21.732 -17.003 679 H ALA 82 H ALA 82 0.339 -19.287 -15.672 680 HA ALA 82 HA ALA 82 0.038 -21.244 -17.685 681 HB1 ALA 82 3HB ALA 82 -1.430 -20.810 -15.038 682 HB2 ALA 82 1HB ALA 82 -1.459 -22.314 -16.018 683 HB3 ALA 82 2HB ALA 82 0.079 -21.755 -15.276 684 H LYS 83 H LYS 83 -2.319 -18.835 -16.263 685 HA LYS 83 HA LYS 83 -3.615 -18.625 -18.804 686 HB2 LYS 83 2HB LYS 83 -5.797 -19.455 -18.136 687 HB3 LYS 83 3HB LYS 83 -4.604 -20.753 -17.990 688 HG2 LYS 83 2HG LYS 83 -4.499 -20.406 -15.535 689 HG3 LYS 83 3HG LYS 83 -5.646 -19.066 -15.660 690 HD2 LYS 83 2HD LYS 83 -7.377 -20.600 -16.570 691 HD3 LYS 83 3HD LYS 83 -6.231 -21.947 -16.528 692 HE2 LYS 83 2HE LYS 83 -6.011 -21.651 -14.036 693 HE3 LYS 83 3HE LYS 83 -7.210 -20.352 -14.101 694 HZ1 LYS 83 3HZ LYS 83 -7.689 -23.151 -14.902 695 HZ2 LYS 83 1HZ LYS 83 -8.208 -22.449 -13.523 696 HZ3 LYS 83 2HZ LYS 83 -8.796 -21.952 -14.963 697 H ASP 84 H ASP 84 -5.116 -16.815 -18.853 698 HA ASP 84 HA ASP 84 -4.431 -14.734 -17.118 699 HB2 ASP 84 2HB ASP 84 -6.759 -15.192 -19.036 700 HB3 ASP 84 3HB ASP 84 -6.561 -13.684 -18.134 Start of MODEL 20 1 H ALA 1 1H ALA 1 -11.039 21.340 2.660 2 HA ALA 1 HA ALA 1 -9.003 21.099 3.839 3 HB1 ALA 1 3HB ALA 1 -11.518 20.364 5.417 4 HB2 ALA 1 1HB ALA 1 -9.994 21.010 6.115 5 HB3 ALA 1 2HB ALA 1 -10.971 22.022 4.998 6 H ALA 2 H ALA 2 -7.370 19.690 4.298 7 HA ALA 2 HA ALA 2 -8.018 16.854 4.394 8 HB1 ALA 2 3HB ALA 2 -5.370 18.381 4.417 9 HB2 ALA 2 1HB ALA 2 -5.551 16.596 4.326 10 HB3 ALA 2 2HB ALA 2 -6.154 17.629 2.987 11 H VAL 3 H VAL 3 -8.674 16.039 6.351 12 HA VAL 3 HA VAL 3 -7.124 16.933 8.683 13 HB VAL 3 HB VAL 3 -10.098 16.215 8.549 14 HG11 VAL 3 1HG1 VAL 3 -10.132 16.827 10.947 15 HG12 VAL 3 2HG1 VAL 3 -9.058 15.423 10.630 16 HG13 VAL 3 3HG1 VAL 3 -8.350 17.050 10.911 17 HG21 VAL 3 3HG2 VAL 3 -9.607 18.450 7.648 18 HG22 VAL 3 1HG2 VAL 3 -10.448 18.569 9.230 19 HG23 VAL 3 2HG2 VAL 3 -8.678 18.856 9.130 20 H ARG 4 H ARG 4 -5.788 15.213 9.205 21 HA ARG 4 HA ARG 4 -5.117 13.175 9.708 22 HB2 ARG 4 2HB ARG 4 -8.055 12.500 9.996 23 HB3 ARG 4 3HB ARG 4 -6.701 11.488 10.513 24 HG2 ARG 4 2HG ARG 4 -5.982 13.209 12.117 25 HG3 ARG 4 3HG ARG 4 -7.262 14.296 11.560 26 HD2 ARG 4 2HD ARG 4 -8.933 12.575 12.270 27 HD3 ARG 4 3HD ARG 4 -7.600 11.640 12.962 28 HE ARG 4 HE ARG 4 -7.476 14.248 14.037 29 HH11 ARG 4 1HH1 ARG 4 -9.640 11.480 14.111 30 HH12 ARG 4 2HH1 ARG 4 -10.211 11.825 15.709 31 HH21 ARG 4 1HH2 ARG 4 -8.224 14.683 16.077 32 HH22 ARG 4 2HH2 ARG 4 -9.400 13.664 16.839 33 H LYS 5 H LYS 5 -5.849 14.006 6.838 34 HA LYS 5 HA LYS 5 -6.092 11.281 5.743 35 HB2 LYS 5 2HB LYS 5 -6.429 14.042 4.476 36 HB3 LYS 5 3HB LYS 5 -6.474 12.519 3.578 37 HG2 LYS 5 2HG LYS 5 -8.454 11.787 4.896 38 HG3 LYS 5 3HG LYS 5 -8.401 13.290 5.826 39 HD2 LYS 5 2HD LYS 5 -8.718 14.602 3.710 40 HD3 LYS 5 3HD LYS 5 -8.792 13.092 2.791 41 HE2 LYS 5 2HE LYS 5 -10.775 12.374 4.154 42 HE3 LYS 5 3HE LYS 5 -10.709 13.902 5.041 43 HZ1 LYS 5 3HZ LYS 5 -11.145 13.640 2.134 44 HZ2 LYS 5 1HZ LYS 5 -12.290 13.990 3.245 45 HZ3 LYS 5 2HZ LYS 5 -11.084 15.052 2.953 46 H ILE 6 H ILE 6 -4.478 10.454 4.330 47 HA ILE 6 HA ILE 6 -2.153 12.183 3.935 48 HB ILE 6 HB ILE 6 -0.664 10.221 4.424 49 HG12 ILE 6 2HG1 ILE 6 -3.203 8.973 5.579 50 HG13 ILE 6 3HG1 ILE 6 -2.451 8.486 4.054 51 HG21 ILE 6 1HG2 ILE 6 -0.848 10.355 6.886 52 HG22 ILE 6 2HG2 ILE 6 -1.028 11.966 6.113 53 HG23 ILE 6 3HG2 ILE 6 -2.476 11.094 6.721 54 HD11 ILE 6 3HD1 ILE 6 -1.150 8.339 6.810 55 HD12 ILE 6 1HD1 ILE 6 -1.827 6.964 5.874 56 HD13 ILE 6 2HD1 ILE 6 -0.386 7.845 5.262 57 H HIS 7 H HIS 7 -0.841 11.594 2.040 58 HA HIS 7 HA HIS 7 -2.248 9.779 0.206 59 HB2 HIS 7 2HB HIS 7 -0.088 11.894 -0.264 60 HB3 HIS 7 3HB HIS 7 -0.756 10.842 -1.519 61 HD2 HIS 7 HD2 HIS 7 -1.634 14.128 0.357 62 HE1 HIS 7 HE1 HIS 7 -4.937 13.162 -2.187 63 H VAL 8 H VAL 8 -1.087 8.070 -0.885 64 HA VAL 8 HA VAL 8 1.583 7.557 0.230 65 HB VAL 8 HB VAL 8 -0.611 5.521 -0.412 66 HG11 VAL 8 1HG1 VAL 8 0.995 3.842 0.444 67 HG12 VAL 8 2HG1 VAL 8 1.619 4.681 -1.017 68 HG13 VAL 8 3HG1 VAL 8 2.241 5.125 0.608 69 HG21 VAL 8 3HG2 VAL 8 -0.994 6.714 1.702 70 HG22 VAL 8 1HG2 VAL 8 -0.508 5.012 2.008 71 HG23 VAL 8 2HG2 VAL 8 0.681 6.339 2.232 72 H THR 9 H THR 9 3.183 7.123 -1.300 73 HA THR 9 HA THR 9 2.346 7.266 -4.067 74 HB THR 9 HB THR 9 5.109 7.199 -2.743 75 HG1 THR 9 HG1 THR 9 5.078 9.467 -3.402 76 HG21 THR 9 3HG2 THR 9 4.308 7.712 -5.650 77 HG22 THR 9 1HG2 THR 9 5.961 7.881 -4.968 78 HG23 THR 9 2HG2 THR 9 5.175 6.267 -5.028 79 H VAL 10 H VAL 10 2.054 5.453 -5.334 80 HA VAL 10 HA VAL 10 2.960 2.933 -4.165 81 HB VAL 10 HB VAL 10 0.931 3.467 -6.395 82 HG11 VAL 10 1HG1 VAL 10 0.252 1.121 -5.995 83 HG12 VAL 10 2HG1 VAL 10 1.964 1.241 -6.525 84 HG13 VAL 10 3HG1 VAL 10 1.578 0.947 -4.796 85 HG21 VAL 10 3HG2 VAL 10 0.172 4.397 -4.249 86 HG22 VAL 10 1HG2 VAL 10 -0.779 2.937 -4.684 87 HG23 VAL 10 2HG2 VAL 10 0.509 2.831 -3.437 88 H LYS 11 H LYS 11 4.800 2.010 -5.016 89 HA LYS 11 HA LYS 11 5.562 2.867 -7.729 90 HB2 LYS 11 2HB LYS 11 7.212 1.878 -5.354 91 HB3 LYS 11 3HB LYS 11 7.870 2.177 -6.969 92 HG2 LYS 11 2HG LYS 11 7.108 4.585 -6.774 93 HG3 LYS 11 3HG LYS 11 6.604 4.251 -5.112 94 HD2 LYS 11 2HD LYS 11 8.938 3.569 -4.532 95 HD3 LYS 11 3HD LYS 11 9.447 3.876 -6.198 96 HE2 LYS 11 2HE LYS 11 8.728 6.276 -5.951 97 HE3 LYS 11 3HE LYS 11 8.287 5.954 -4.269 98 HZ1 LYS 11 3HZ LYS 11 10.968 5.916 -5.465 99 HZ2 LYS 11 1HZ LYS 11 10.430 6.800 -4.202 100 HZ3 LYS 11 2HZ LYS 11 10.673 5.194 -4.030 101 H PHE 12 H PHE 12 5.011 1.310 -9.252 102 HA PHE 12 HA PHE 12 5.843 -1.437 -8.587 103 HB2 PHE 12 2HB PHE 12 4.148 -0.262 -10.842 104 HB3 PHE 12 3HB PHE 12 4.702 -1.941 -10.810 105 HD1 PHE 12 HD1 PHE 12 3.824 -3.527 -9.135 106 HD2 PHE 12 HD2 PHE 12 2.389 0.516 -9.357 107 HE1 PHE 12 HE1 PHE 12 1.860 -4.147 -7.762 108 HE2 PHE 12 HE2 PHE 12 0.429 -0.105 -7.980 109 HZ PHE 12 HZ PHE 12 0.160 -2.436 -7.181 110 HA PRO 13 HA PRO 13 9.496 -1.209 -11.000 111 HB2 PRO 13 2HB PRO 13 9.309 -3.583 -12.503 112 HB3 PRO 13 3HB PRO 13 9.788 -3.565 -10.801 113 HG2 PRO 13 2HG PRO 13 7.051 -4.085 -12.008 114 HG3 PRO 13 3HG PRO 13 7.879 -4.962 -10.715 115 HD2 PRO 13 2HD PRO 13 5.965 -3.175 -10.080 116 HD3 PRO 13 3HD PRO 13 7.428 -3.258 -9.089 117 H SER 14 H SER 14 6.416 -1.549 -12.741 118 HA SER 14 HA SER 14 7.791 -0.374 -15.080 119 HB2 SER 14 2HB SER 14 6.170 -1.568 -16.475 120 HB3 SER 14 3HB SER 14 7.110 -2.704 -15.498 121 HG SER 14 HG SER 14 4.848 -3.198 -15.500 122 H LYS 15 H LYS 15 5.627 0.210 -12.523 123 HA LYS 15 HA LYS 15 4.273 2.305 -14.041 124 HB2 LYS 15 2HB LYS 15 2.836 0.273 -14.228 125 HB3 LYS 15 3HB LYS 15 2.815 0.129 -12.466 126 HG2 LYS 15 2HG LYS 15 1.640 2.289 -12.263 127 HG3 LYS 15 3HG LYS 15 1.744 2.542 -14.010 128 HD2 LYS 15 2HD LYS 15 0.393 0.464 -14.388 129 HD3 LYS 15 3HD LYS 15 0.281 0.222 -12.639 130 HE2 LYS 15 2HE LYS 15 -0.794 2.532 -12.467 131 HE3 LYS 15 3HE LYS 15 -0.822 2.591 -14.234 132 HZ1 LYS 15 3HZ LYS 15 -2.145 0.530 -12.589 133 HZ2 LYS 15 1HZ LYS 15 -2.891 1.781 -13.327 134 HZ3 LYS 15 2HZ LYS 15 -2.186 0.609 -14.219 135 H GLN 16 H GLN 16 3.515 4.048 -12.704 136 HA GLN 16 HA GLN 16 3.824 3.670 -9.816 137 HB2 GLN 16 2HB GLN 16 5.111 5.868 -11.504 138 HB3 GLN 16 3HB GLN 16 4.866 6.012 -9.759 139 HG2 GLN 16 2HG GLN 16 6.248 3.931 -9.434 140 HG3 GLN 16 3HG GLN 16 6.553 3.897 -11.176 141 HE21 GLN 16 1HE2 GLN 16 8.804 3.976 -10.001 142 HE22 GLN 16 2HE2 GLN 16 9.510 5.552 -9.870 143 H PHE 17 H PHE 17 2.361 4.944 -8.567 144 HA PHE 17 HA PHE 17 1.060 7.205 -9.689 145 HB2 PHE 17 2HB PHE 17 -1.247 6.314 -9.637 146 HB3 PHE 17 3HB PHE 17 -0.264 5.523 -10.876 147 HD1 PHE 17 HD1 PHE 17 -1.919 5.104 -7.595 148 HD2 PHE 17 HD2 PHE 17 0.342 3.175 -10.697 149 HE1 PHE 17 HE1 PHE 17 -2.499 2.893 -6.646 150 HE2 PHE 17 HE2 PHE 17 -0.241 0.966 -9.748 151 HZ PHE 17 HZ PHE 17 -1.660 0.821 -7.716 152 H THR 18 H THR 18 -0.654 8.075 -8.080 153 HA THR 18 HA THR 18 0.274 7.339 -5.392 154 HB THR 18 HB THR 18 -0.378 9.661 -4.746 155 HG1 THR 18 HG1 THR 18 -0.854 11.160 -6.511 156 HG21 THR 18 3HG2 THR 18 1.513 9.510 -7.148 157 HG22 THR 18 1HG2 THR 18 1.452 10.836 -5.939 158 HG23 THR 18 2HG2 THR 18 1.947 9.185 -5.436 159 H VAL 19 H VAL 19 -1.318 7.262 -3.646 160 HA VAL 19 HA VAL 19 -4.100 7.313 -4.587 161 HB VAL 19 HB VAL 19 -4.574 5.410 -3.044 162 HG11 VAL 19 1HG1 VAL 19 -3.556 3.634 -4.438 163 HG12 VAL 19 2HG1 VAL 19 -4.192 4.986 -5.435 164 HG13 VAL 19 3HG1 VAL 19 -2.427 4.841 -5.141 165 HG21 VAL 19 3HG2 VAL 19 -2.699 5.718 -1.487 166 HG22 VAL 19 1HG2 VAL 19 -2.698 4.056 -2.166 167 HG23 VAL 19 2HG2 VAL 19 -1.534 5.278 -2.781 168 H GLU 20 H GLU 20 -5.702 7.720 -2.793 169 HA GLU 20 HA GLU 20 -4.431 9.291 -0.641 170 HB2 GLU 20 2HB GLU 20 -5.775 10.623 -2.236 171 HB3 GLU 20 3HB GLU 20 -7.164 9.558 -1.984 172 HG2 GLU 20 2HG GLU 20 -7.246 10.245 0.420 173 HG3 GLU 20 3HG GLU 20 -5.870 11.323 0.153 174 H VAL 21 H VAL 21 -4.691 8.556 1.432 175 HA VAL 21 HA VAL 21 -6.969 6.786 1.930 176 HB VAL 21 HB VAL 21 -5.482 5.332 3.321 177 HG11 VAL 21 1HG1 VAL 21 -4.388 4.157 1.436 178 HG12 VAL 21 2HG1 VAL 21 -6.057 4.675 1.023 179 HG13 VAL 21 3HG1 VAL 21 -4.650 5.596 0.394 180 HG21 VAL 21 3HG2 VAL 21 -3.696 6.960 3.772 181 HG22 VAL 21 1HG2 VAL 21 -3.029 5.472 3.018 182 HG23 VAL 21 2HG2 VAL 21 -3.241 6.960 2.034 183 H ASP 22 H ASP 22 -7.228 6.435 4.433 184 HA ASP 22 HA ASP 22 -6.890 9.036 5.701 185 HB2 ASP 22 2HB ASP 22 -9.055 7.623 5.670 186 HB3 ASP 22 3HB ASP 22 -8.242 6.538 6.805 187 H ARG 23 H ARG 23 -5.775 9.360 7.710 188 HA ARG 23 HA ARG 23 -3.424 7.827 7.935 189 HB2 ARG 23 2HB ARG 23 -3.509 10.192 8.476 190 HB3 ARG 23 3HB ARG 23 -4.634 9.881 9.804 191 HG2 ARG 23 2HG ARG 23 -2.935 8.596 11.009 192 HG3 ARG 23 3HG ARG 23 -1.812 8.737 9.649 193 HD2 ARG 23 2HD ARG 23 -1.616 11.103 9.958 194 HD3 ARG 23 3HD ARG 23 -2.918 11.112 11.155 195 HE ARG 23 HE ARG 23 -0.858 9.383 12.063 196 HH11 ARG 23 1HH1 ARG 23 -1.401 12.808 11.488 197 HH12 ARG 23 2HH1 ARG 23 -0.313 13.308 12.740 198 HH21 ARG 23 1HH2 ARG 23 0.541 10.039 13.655 199 HH22 ARG 23 2HH2 ARG 23 0.803 11.719 13.985 200 H THR 24 H THR 24 -6.630 7.609 9.519 201 HA THR 24 HA THR 24 -5.499 6.018 11.661 202 HB THR 24 HB THR 24 -7.777 6.081 12.604 203 HG1 THR 24 HG1 THR 24 -8.435 7.524 10.161 204 HG21 THR 24 3HG2 THR 24 -6.884 8.798 11.517 205 HG22 THR 24 1HG2 THR 24 -7.997 8.534 12.901 206 HG23 THR 24 2HG2 THR 24 -6.284 8.006 13.013 207 H GLU 25 H GLU 25 -6.576 5.449 8.471 208 HA GLU 25 HA GLU 25 -7.986 2.994 9.001 209 HB2 GLU 25 2HB GLU 25 -6.996 4.480 6.546 210 HB3 GLU 25 3HB GLU 25 -7.548 2.805 6.414 211 HG2 GLU 25 2HG GLU 25 -9.247 5.044 7.612 212 HG3 GLU 25 3HG GLU 25 -9.289 4.593 5.902 213 H THR 26 H THR 26 -7.225 0.855 8.130 214 HA THR 26 HA THR 26 -4.463 0.499 8.898 215 HB THR 26 HB THR 26 -4.997 -1.929 8.670 216 HG1 THR 26 HG1 THR 26 -7.332 -2.410 8.282 217 HG21 THR 26 3HG2 THR 26 -7.087 -0.322 10.218 218 HG22 THR 26 1HG2 THR 26 -6.670 -2.047 10.493 219 HG23 THR 26 2HG2 THR 26 -5.448 -0.768 10.799 220 H VAL 27 H VAL 27 -3.183 -1.241 7.487 221 HA VAL 27 HA VAL 27 -2.705 0.045 5.042 222 HB VAL 27 HB VAL 27 -1.113 -1.802 4.636 223 HG11 VAL 27 1HG1 VAL 27 0.272 -1.524 6.669 224 HG12 VAL 27 2HG1 VAL 27 -0.453 0.030 6.136 225 HG13 VAL 27 3HG1 VAL 27 -1.148 -0.851 7.538 226 HG21 VAL 27 3HG2 VAL 27 -2.494 -3.672 5.438 227 HG22 VAL 27 1HG2 VAL 27 -0.901 -3.653 6.268 228 HG23 VAL 27 2HG2 VAL 27 -2.366 -3.060 7.121 229 H SER 28 H SER 28 -4.945 -2.534 5.968 230 HA SER 28 HA SER 28 -5.118 -3.832 3.462 231 HB2 SER 28 2HB SER 28 -7.167 -4.767 4.366 232 HB3 SER 28 3HB SER 28 -5.921 -4.758 5.621 233 HG SER 28 HG SER 28 -6.873 -2.827 6.483 234 H SER 29 H SER 29 -6.614 -0.835 4.794 235 HA SER 29 HA SER 29 -8.394 -0.499 2.586 236 HB2 SER 29 2HB SER 29 -7.205 1.414 4.644 237 HB3 SER 29 3HB SER 29 -8.425 1.878 3.451 238 HG SER 29 HG SER 29 -9.119 1.155 5.689 239 H LEU 30 H LEU 30 -4.989 0.540 3.316 240 HA LEU 30 HA LEU 30 -4.606 2.007 0.951 241 HB2 LEU 30 2HB LEU 30 -3.049 2.043 2.847 242 HB3 LEU 30 3HB LEU 30 -2.720 0.315 2.660 243 HG LEU 30 HG LEU 30 -1.669 0.750 0.435 244 HD11 LEU 30 1HD1 LEU 30 -1.216 3.075 -0.251 245 HD12 LEU 30 2HD1 LEU 30 -2.979 2.740 -0.180 246 HD13 LEU 30 3HD1 LEU 30 -2.190 3.676 1.133 247 HD21 LEU 30 3HD2 LEU 30 -0.310 0.718 2.495 248 HD22 LEU 30 1HD2 LEU 30 0.336 1.903 1.311 249 HD23 LEU 30 2HD2 LEU 30 -0.610 2.473 2.727 250 H LYS 31 H LYS 31 -4.396 -1.554 1.648 251 HA LYS 31 HA LYS 31 -3.424 -2.256 -0.903 252 HB2 LYS 31 2HB LYS 31 -5.055 -3.743 1.204 253 HB3 LYS 31 3HB LYS 31 -4.465 -4.505 -0.279 254 HG2 LYS 31 2HG LYS 31 -2.116 -3.967 0.383 255 HG3 LYS 31 3HG LYS 31 -2.710 -3.217 1.870 256 HD2 LYS 31 2HD LYS 31 -3.733 -5.384 2.569 257 HD3 LYS 31 3HD LYS 31 -3.177 -6.140 1.070 258 HE2 LYS 31 2HE LYS 31 -0.801 -5.605 1.704 259 HE3 LYS 31 3HE LYS 31 -1.378 -4.903 3.221 260 HZ1 LYS 31 3HZ LYS 31 -1.883 -7.697 2.425 261 HZ2 LYS 31 1HZ LYS 31 -0.652 -7.230 3.391 262 HZ3 LYS 31 2HZ LYS 31 -2.196 -7.022 3.878 263 H ASP 32 H ASP 32 -6.759 -1.682 0.390 264 HA ASP 32 HA ASP 32 -8.172 -2.697 -1.786 265 HB2 ASP 32 2HB ASP 32 -8.705 -0.442 0.193 266 HB3 ASP 32 3HB ASP 32 -9.881 -0.910 -1.042 267 H LYS 33 H LYS 33 -6.739 0.612 -1.237 268 HA LYS 33 HA LYS 33 -7.804 1.736 -3.584 269 HB2 LYS 33 2HB LYS 33 -5.339 2.372 -1.899 270 HB3 LYS 33 3HB LYS 33 -5.873 3.372 -3.256 271 HG2 LYS 33 2HG LYS 33 -7.559 2.751 -0.779 272 HG3 LYS 33 3HG LYS 33 -6.618 4.229 -1.019 273 HD2 LYS 33 2HD LYS 33 -7.940 4.738 -3.082 274 HD3 LYS 33 3HD LYS 33 -8.878 3.257 -2.849 275 HE2 LYS 33 2HE LYS 33 -9.665 4.105 -0.630 276 HE3 LYS 33 3HE LYS 33 -8.727 5.586 -0.862 277 HZ1 LYS 33 3HZ LYS 33 -10.935 4.681 -2.596 278 HZ2 LYS 33 1HZ LYS 33 -11.016 5.881 -1.491 279 HZ3 LYS 33 2HZ LYS 33 -10.070 6.049 -2.811 280 H ILE 34 H ILE 34 -4.702 -0.048 -2.924 281 HA ILE 34 HA ILE 34 -3.644 0.312 -5.487 282 HB ILE 34 HB ILE 34 -3.307 -1.905 -3.410 283 HG12 ILE 34 2HG1 ILE 34 -1.393 0.320 -4.239 284 HG13 ILE 34 3HG1 ILE 34 -2.566 0.503 -2.928 285 HG21 ILE 34 1HG2 ILE 34 -1.298 -2.585 -4.681 286 HG22 ILE 34 2HG2 ILE 34 -2.802 -2.802 -5.639 287 HG23 ILE 34 3HG2 ILE 34 -1.719 -1.407 -5.969 288 HD11 ILE 34 3HD1 ILE 34 -0.352 -1.594 -3.059 289 HD12 ILE 34 1HD1 ILE 34 -0.353 -0.104 -2.056 290 HD13 ILE 34 2HD1 ILE 34 -1.544 -1.409 -1.728 291 H HIS 35 H HIS 35 -5.928 -2.160 -4.119 292 HA HIS 35 HA HIS 35 -5.817 -3.872 -6.358 293 HB2 HIS 35 2HB HIS 35 -6.603 -4.625 -4.167 294 HB3 HIS 35 3HB HIS 35 -7.915 -3.438 -4.178 295 HD2 HIS 35 HD2 HIS 35 -10.274 -4.506 -5.053 296 HE1 HIS 35 HE1 HIS 35 -8.656 -7.768 -7.303 297 H ILE 36 H ILE 36 -7.815 -0.965 -5.557 298 HA ILE 36 HA ILE 36 -9.731 -1.368 -7.555 299 HB ILE 36 HB ILE 36 -8.680 1.124 -6.134 300 HG12 ILE 36 2HG1 ILE 36 -11.372 -0.293 -5.922 301 HG13 ILE 36 3HG1 ILE 36 -9.987 -0.701 -4.900 302 HG21 ILE 36 1HG2 ILE 36 -10.637 2.323 -7.056 303 HG22 ILE 36 2HG2 ILE 36 -9.509 1.790 -8.349 304 HG23 ILE 36 3HG2 ILE 36 -11.036 0.890 -8.062 305 HD11 ILE 36 3HD1 ILE 36 -11.331 2.033 -5.073 306 HD12 ILE 36 1HD1 ILE 36 -11.514 0.835 -3.748 307 HD13 ILE 36 2HD1 ILE 36 -9.925 1.619 -4.035 308 H VAL 37 H VAL 37 -6.512 0.329 -7.563 309 HA VAL 37 HA VAL 37 -6.916 1.363 -10.186 310 HB VAL 37 HB VAL 37 -4.426 1.057 -8.429 311 HG11 VAL 37 1HG1 VAL 37 -3.344 2.647 -9.978 312 HG12 VAL 37 2HG1 VAL 37 -3.786 1.110 -10.795 313 HG13 VAL 37 3HG1 VAL 37 -4.786 2.581 -11.047 314 HG21 VAL 37 3HG2 VAL 37 -6.129 2.571 -7.519 315 HG22 VAL 37 1HG2 VAL 37 -4.696 3.490 -8.090 316 HG23 VAL 37 2HG2 VAL 37 -6.194 3.458 -9.079 317 H GLU 38 H GLU 38 -5.289 -1.547 -8.763 318 HA GLU 38 HA GLU 38 -4.222 -2.211 -11.405 319 HB2 GLU 38 2HB GLU 38 -3.821 -3.441 -8.634 320 HB3 GLU 38 3HB GLU 38 -3.045 -4.017 -10.115 321 HG2 GLU 38 2HG GLU 38 -2.673 -1.259 -8.846 322 HG3 GLU 38 3HG GLU 38 -1.519 -2.598 -8.790 323 H ASN 39 H ASN 39 -4.198 -4.899 -11.572 324 HA ASN 39 HA ASN 39 -7.045 -5.621 -11.336 325 HB2 ASN 39 2HB ASN 39 -5.047 -6.385 -13.500 326 HB3 ASN 39 3HB ASN 39 -6.700 -6.999 -13.365 327 HD21 ASN 39 1HD2 ASN 39 -4.762 -4.769 -14.816 328 HD22 ASN 39 2HD2 ASN 39 -5.983 -3.683 -15.390 329 H THR 40 H THR 40 -4.737 -6.084 -9.391 330 HA THR 40 HA THR 40 -4.640 -9.014 -9.605 331 HB THR 40 HB THR 40 -2.663 -7.066 -8.309 332 HG1 THR 40 HG1 THR 40 -2.320 -8.933 -10.515 333 HG21 THR 40 3HG2 THR 40 -2.616 -10.118 -8.504 334 HG22 THR 40 1HG2 THR 40 -1.293 -9.084 -7.868 335 HG23 THR 40 2HG2 THR 40 -2.869 -9.155 -7.010 336 HA PRO 41 HA PRO 41 -7.134 -9.047 -5.880 337 HB2 PRO 41 2HB PRO 41 -5.707 -11.731 -5.595 338 HB3 PRO 41 3HB PRO 41 -7.441 -11.396 -5.509 339 HG2 PRO 41 2HG PRO 41 -6.446 -12.545 -7.699 340 HG3 PRO 41 3HG PRO 41 -7.675 -11.284 -7.868 341 HD2 PRO 41 2HD PRO 41 -4.670 -11.085 -8.292 342 HD3 PRO 41 3HD PRO 41 -5.976 -10.350 -9.232 343 H ILE 42 H ILE 42 -6.907 -8.623 -3.726 344 HA ILE 42 HA ILE 42 -4.439 -7.580 -2.973 345 HB ILE 42 HB ILE 42 -6.926 -8.373 -1.388 346 HG12 ILE 42 2HG1 ILE 42 -5.787 -5.637 -2.120 347 HG13 ILE 42 3HG1 ILE 42 -7.009 -6.483 -3.079 348 HG21 ILE 42 1HG2 ILE 42 -5.990 -7.070 0.494 349 HG22 ILE 42 2HG2 ILE 42 -4.982 -8.505 0.108 350 HG23 ILE 42 3HG2 ILE 42 -4.453 -6.870 -0.414 351 HD11 ILE 42 3HD1 ILE 42 -7.313 -5.615 -0.169 352 HD12 ILE 42 1HD1 ILE 42 -8.041 -4.816 -1.603 353 HD13 ILE 42 2HD1 ILE 42 -8.554 -6.474 -1.142 354 H LYS 43 H LYS 43 -5.912 -10.837 -2.486 355 HA LYS 43 HA LYS 43 -4.154 -11.657 -0.435 356 HB2 LYS 43 2HB LYS 43 -5.803 -13.169 -2.513 357 HB3 LYS 43 3HB LYS 43 -4.888 -13.969 -1.229 358 HG2 LYS 43 2HG LYS 43 -6.231 -12.762 0.490 359 HG3 LYS 43 3HG LYS 43 -7.137 -11.940 -0.787 360 HD2 LYS 43 2HD LYS 43 -7.938 -14.143 -1.650 361 HD3 LYS 43 3HD LYS 43 -7.013 -14.979 -0.395 362 HE2 LYS 43 2HE LYS 43 -8.334 -13.809 1.370 363 HE3 LYS 43 3HE LYS 43 -9.247 -12.947 0.124 364 HZ1 LYS 43 3HZ LYS 43 -9.201 -15.876 0.478 365 HZ2 LYS 43 1HZ LYS 43 -10.423 -14.881 0.904 366 HZ3 LYS 43 2HZ LYS 43 -10.044 -15.081 -0.672 367 H ARG 44 H ARG 44 -3.734 -11.266 -3.927 368 HA ARG 44 HA ARG 44 -1.375 -13.001 -3.838 369 HB2 ARG 44 2HB ARG 44 -2.783 -11.725 -6.198 370 HB3 ARG 44 3HB ARG 44 -1.355 -12.765 -6.279 371 HG2 ARG 44 2HG ARG 44 -4.054 -13.619 -5.148 372 HG3 ARG 44 3HG ARG 44 -3.527 -13.906 -6.811 373 HD2 ARG 44 2HD ARG 44 -1.643 -15.236 -5.998 374 HD3 ARG 44 3HD ARG 44 -2.136 -14.929 -4.328 375 HE ARG 44 HE ARG 44 -4.315 -16.098 -5.723 376 HH11 ARG 44 1HH1 ARG 44 -1.108 -16.970 -4.581 377 HH12 ARG 44 2HH1 ARG 44 -1.521 -18.635 -4.341 378 HH21 ARG 44 1HH2 ARG 44 -4.826 -18.235 -5.424 379 HH22 ARG 44 2HH2 ARG 44 -3.656 -19.363 -4.825 380 H MET 45 H MET 45 -2.421 -9.578 -4.340 381 HA MET 45 HA MET 45 0.101 -8.643 -5.199 382 HB2 MET 45 2HB MET 45 -1.990 -7.411 -5.549 383 HB3 MET 45 3HB MET 45 -2.255 -7.289 -3.804 384 HG2 MET 45 2HG MET 45 0.285 -6.153 -4.998 385 HG3 MET 45 3HG MET 45 -1.233 -5.266 -5.187 386 HE1 MET 45 3HE MET 45 -2.659 -5.454 -1.807 387 HE2 MET 45 1HE MET 45 -2.185 -3.761 -2.173 388 HE3 MET 45 2HE MET 45 -2.792 -4.828 -3.485 389 H GLN 46 H GLN 46 1.930 -7.975 -4.091 390 HA GLN 46 HA GLN 46 1.830 -8.392 -1.177 391 HB2 GLN 46 2HB GLN 46 4.234 -8.351 -3.065 392 HB3 GLN 46 3HB GLN 46 4.249 -8.764 -1.346 393 HG2 GLN 46 2HG GLN 46 2.777 -10.333 -3.512 394 HG3 GLN 46 3HG GLN 46 4.363 -10.752 -2.852 395 HE21 GLN 46 1HE2 GLN 46 1.244 -11.629 -2.715 396 HE22 GLN 46 2HE2 GLN 46 1.124 -12.193 -1.082 397 H LEU 47 H LEU 47 2.628 -6.772 0.244 398 HA LEU 47 HA LEU 47 3.023 -4.161 -1.080 399 HB2 LEU 47 2HB LEU 47 0.757 -4.271 -0.222 400 HB3 LEU 47 3HB LEU 47 1.307 -4.940 1.320 401 HG LEU 47 HG LEU 47 2.476 -2.779 1.829 402 HD11 LEU 47 1HD1 LEU 47 1.999 -0.810 0.421 403 HD12 LEU 47 2HD1 LEU 47 2.901 -2.068 -0.490 404 HD13 LEU 47 3HD1 LEU 47 1.137 -1.857 -0.756 405 HD21 LEU 47 3HD2 LEU 47 0.176 -3.215 2.615 406 HD22 LEU 47 1HD2 LEU 47 0.409 -1.478 2.224 407 HD23 LEU 47 2HD2 LEU 47 -0.480 -2.544 1.084 408 H TYR 48 H TYR 48 5.022 -3.343 -0.621 409 HA TYR 48 HA TYR 48 6.016 -3.800 2.120 410 HB2 TYR 48 2HB TYR 48 7.422 -5.059 0.615 411 HB3 TYR 48 3HB TYR 48 7.489 -3.730 -0.550 412 HD1 TYR 48 HD1 TYR 48 8.536 -4.723 2.907 413 HD2 TYR 48 HD2 TYR 48 9.180 -2.072 -0.406 414 HE1 TYR 48 HE1 TYR 48 10.603 -3.885 3.984 415 HE2 TYR 48 HE2 TYR 48 11.248 -1.232 0.662 416 HH TYR 48 HH TYR 48 12.119 -2.147 3.970 417 H TYR 49 H TYR 49 6.828 -1.982 3.228 418 HA TYR 49 HA TYR 49 6.664 0.556 1.732 419 HB2 TYR 49 2HB TYR 49 4.977 0.599 3.413 420 HB3 TYR 49 3HB TYR 49 6.010 -0.200 4.605 421 HD1 TYR 49 HD1 TYR 49 6.166 2.907 2.455 422 HD2 TYR 49 HD2 TYR 49 6.770 1.153 6.326 423 HE1 TYR 49 HE1 TYR 49 6.844 5.115 3.347 424 HE2 TYR 49 HE2 TYR 49 7.443 3.358 7.225 425 HH TYR 49 HH TYR 49 7.778 5.500 6.805 426 H SER 50 H SER 50 8.466 1.897 1.716 427 HA SER 50 HA SER 50 10.983 1.206 2.054 428 HB2 SER 50 2HB SER 50 10.203 3.456 1.397 429 HB3 SER 50 3HB SER 50 9.736 3.801 3.067 430 HG SER 50 HG SER 50 11.815 4.666 2.532 431 H GLY 51 H GLY 51 11.794 -0.201 3.605 432 HA2 GLY 51 2HA GLY 51 12.896 -0.321 5.665 433 HA3 GLY 51 3HA GLY 51 11.748 0.833 6.356 434 H ILE 52 H ILE 52 9.465 0.072 6.777 435 HA ILE 52 HA ILE 52 9.627 -2.696 7.671 436 HB ILE 52 HB ILE 52 7.679 -0.425 8.325 437 HG12 ILE 52 2HG1 ILE 52 9.795 -1.778 10.062 438 HG13 ILE 52 3HG1 ILE 52 10.061 -0.263 9.189 439 HG21 ILE 52 1HG2 ILE 52 6.811 -1.935 10.079 440 HG22 ILE 52 2HG2 ILE 52 6.555 -2.606 8.433 441 HG23 ILE 52 3HG2 ILE 52 7.873 -3.248 9.469 442 HD11 ILE 52 3HD1 ILE 52 7.943 -0.734 11.335 443 HD12 ILE 52 1HD1 ILE 52 9.488 0.159 11.537 444 HD13 ILE 52 2HD1 ILE 52 8.213 0.804 10.448 445 H GLU 53 H GLU 53 8.405 -4.344 6.765 446 HA GLU 53 HA GLU 53 6.848 -3.768 4.437 447 HB2 GLU 53 2HB GLU 53 8.217 -5.831 4.743 448 HB3 GLU 53 3HB GLU 53 7.181 -6.319 6.090 449 HG2 GLU 53 2HG GLU 53 5.229 -6.453 4.547 450 HG3 GLU 53 3HG GLU 53 6.256 -5.950 3.198 451 H LEU 54 H LEU 54 4.622 -3.598 4.200 452 HA LEU 54 HA LEU 54 3.153 -3.232 6.675 453 HB2 LEU 54 2HB LEU 54 2.282 -2.915 3.762 454 HB3 LEU 54 3HB LEU 54 1.411 -2.339 5.190 455 HG LEU 54 HG LEU 54 4.132 -1.322 4.210 456 HD11 LEU 54 1HD1 LEU 54 2.885 0.760 3.768 457 HD12 LEU 54 2HD1 LEU 54 2.227 -0.616 2.819 458 HD13 LEU 54 3HD1 LEU 54 1.362 -0.040 4.284 459 HD21 LEU 54 3HD2 LEU 54 3.966 -1.319 6.675 460 HD22 LEU 54 1HD2 LEU 54 3.891 0.350 6.018 461 HD23 LEU 54 2HD2 LEU 54 2.390 -0.465 6.572 462 H ALA 55 H ALA 55 3.419 -5.708 7.146 463 HA ALA 55 HA ALA 55 1.960 -7.400 5.282 464 HB1 ALA 55 3HB ALA 55 3.598 -8.002 7.796 465 HB2 ALA 55 1HB ALA 55 2.902 -9.226 6.681 466 HB3 ALA 55 2HB ALA 55 4.177 -8.104 6.099 467 H ASP 56 H ASP 56 1.445 -5.772 8.376 468 HA ASP 56 HA ASP 56 -0.495 -7.774 9.228 469 HB2 ASP 56 2HB ASP 56 1.154 -6.811 10.830 470 HB3 ASP 56 3HB ASP 56 0.509 -5.193 10.524 471 H ASP 57 H ASP 57 -2.576 -7.638 8.488 472 HA ASP 57 HA ASP 57 -3.419 -5.360 7.033 473 HB2 ASP 57 2HB ASP 57 -4.802 -7.872 8.065 474 HB3 ASP 57 3HB ASP 57 -5.672 -6.624 7.163 475 H TYR 58 H TYR 58 -3.653 -6.284 10.465 476 HA TYR 58 HA TYR 58 -5.951 -4.516 10.837 477 HB2 TYR 58 2HB TYR 58 -4.494 -6.467 12.687 478 HB3 TYR 58 3HB TYR 58 -5.877 -5.477 13.170 479 HD1 TYR 58 HD1 TYR 58 -8.119 -5.850 12.059 480 HD2 TYR 58 HD2 TYR 58 -4.795 -8.495 11.443 481 HE1 TYR 58 HE1 TYR 58 -9.666 -7.594 11.226 482 HE2 TYR 58 HE2 TYR 58 -6.336 -10.243 10.605 483 HH TYR 58 HH TYR 58 -9.884 -9.641 10.431 484 H ARG 59 H ARG 59 -2.513 -4.331 10.886 485 HA ARG 59 HA ARG 59 -2.396 -2.410 13.035 486 HB2 ARG 59 2HB ARG 59 -0.526 -3.920 12.601 487 HB3 ARG 59 3HB ARG 59 -0.328 -3.237 10.982 488 HG2 ARG 59 2HG ARG 59 0.299 -1.076 11.889 489 HG3 ARG 59 3HG ARG 59 -0.111 -1.586 13.532 490 HD2 ARG 59 2HD ARG 59 1.692 -3.182 13.550 491 HD3 ARG 59 3HD ARG 59 2.049 -2.864 11.847 492 HE ARG 59 HE ARG 59 2.256 -0.423 13.259 493 HH11 ARG 59 1HH1 ARG 59 3.892 -3.530 13.112 494 HH12 ARG 59 2HH1 ARG 59 5.436 -2.867 13.532 495 HH21 ARG 59 1HH2 ARG 59 4.237 0.410 13.810 496 HH22 ARG 59 2HH2 ARG 59 5.635 -0.605 13.934 497 H ASN 60 H ASN 60 -2.270 -0.142 12.855 498 HA ASN 60 HA ASN 60 -3.702 0.774 10.542 499 HB2 ASN 60 2HB ASN 60 -2.752 2.121 13.093 500 HB3 ASN 60 3HB ASN 60 -3.611 2.976 11.805 501 HD21 ASN 60 1HD2 ASN 60 -4.003 1.616 14.699 502 HD22 ASN 60 2HD2 ASN 60 -5.689 1.225 14.622 503 H LEU 61 H LEU 61 -3.049 2.685 9.235 504 HA LEU 61 HA LEU 61 -0.409 2.564 8.305 505 HB2 LEU 61 2HB LEU 61 -2.601 4.682 8.111 506 HB3 LEU 61 3HB LEU 61 -1.056 4.813 7.260 507 HG LEU 61 HG LEU 61 -2.980 2.460 6.898 508 HD11 LEU 61 1HD1 LEU 61 -3.635 3.559 4.788 509 HD12 LEU 61 2HD1 LEU 61 -4.061 4.564 6.214 510 HD13 LEU 61 3HD1 LEU 61 -2.629 4.983 5.215 511 HD21 LEU 61 3HD2 LEU 61 -0.617 2.013 6.344 512 HD22 LEU 61 1HD2 LEU 61 -1.628 2.080 4.862 513 HD23 LEU 61 2HD2 LEU 61 -0.581 3.472 5.297 514 H ASN 62 H ASN 62 -1.997 4.790 10.712 515 HA ASN 62 HA ASN 62 0.239 6.415 11.119 516 HB2 ASN 62 2HB ASN 62 -2.003 6.976 11.909 517 HB3 ASN 62 3HB ASN 62 -1.997 5.591 13.009 518 HD21 ASN 62 1HD2 ASN 62 -1.559 6.039 15.014 519 HD22 ASN 62 2HD2 ASN 62 -0.519 7.296 15.597 520 H GLU 63 H GLU 63 -0.721 3.232 12.590 521 HA GLU 63 HA GLU 63 1.298 3.260 14.563 522 HB2 GLU 63 2HB GLU 63 -0.353 1.076 13.223 523 HB3 GLU 63 3HB GLU 63 0.853 0.710 14.463 524 HG2 GLU 63 2HG GLU 63 -0.347 2.053 16.119 525 HG3 GLU 63 3HG GLU 63 -1.479 2.638 14.892 526 H TYR 64 H TYR 64 1.270 2.349 11.091 527 HA TYR 64 HA TYR 64 3.816 1.008 11.275 528 HB2 TYR 64 2HB TYR 64 1.765 1.653 9.194 529 HB3 TYR 64 3HB TYR 64 3.434 1.578 8.614 530 HD1 TYR 64 HD1 TYR 64 4.791 -0.564 9.649 531 HD2 TYR 64 HD2 TYR 64 0.544 -0.318 9.076 532 HE1 TYR 64 HE1 TYR 64 4.661 -3.033 9.579 533 HE2 TYR 64 HE2 TYR 64 0.406 -2.788 9.004 534 HH TYR 64 HH TYR 64 3.367 -4.810 9.362 535 H GLY 65 H GLY 65 2.715 4.344 11.042 536 HA2 GLY 65 2HA GLY 65 4.109 6.168 11.194 537 HA3 GLY 65 3HA GLY 65 5.489 5.176 10.704 538 H ILE 66 H ILE 66 2.375 5.167 8.890 539 HA ILE 66 HA ILE 66 3.850 5.924 6.542 540 HB ILE 66 HB ILE 66 0.874 5.324 6.967 541 HG12 ILE 66 2HG1 ILE 66 2.287 3.404 7.520 542 HG13 ILE 66 3HG1 ILE 66 1.404 3.117 6.015 543 HG21 ILE 66 1HG2 ILE 66 0.818 5.011 4.516 544 HG22 ILE 66 2HG2 ILE 66 1.273 6.690 4.964 545 HG23 ILE 66 3HG2 ILE 66 2.533 5.535 4.413 546 HD11 ILE 66 3HD1 ILE 66 4.326 3.971 6.232 547 HD12 ILE 66 1HD1 ILE 66 3.720 2.325 5.847 548 HD13 ILE 66 2HD1 ILE 66 3.429 3.679 4.704 549 H THR 67 H THR 67 3.989 7.983 5.680 550 HA THR 67 HA THR 67 2.280 9.996 6.966 551 HB THR 67 HB THR 67 4.068 11.608 6.499 552 HG1 THR 67 HG1 THR 67 5.328 9.309 5.237 553 HG21 THR 67 3HG2 THR 67 5.163 9.036 7.739 554 HG22 THR 67 1HG2 THR 67 5.853 10.681 7.945 555 HG23 THR 67 2HG2 THR 67 4.219 10.305 8.589 556 H GLU 68 H GLU 68 2.474 12.161 5.315 557 HA GLU 68 HA GLU 68 0.771 11.450 3.183 558 HB2 GLU 68 2HB GLU 68 0.742 13.641 4.341 559 HB3 GLU 68 3HB GLU 68 2.370 13.995 3.748 560 HG2 GLU 68 2HG GLU 68 1.541 13.984 1.408 561 HG3 GLU 68 3HG GLU 68 -0.084 13.573 1.971 562 H PHE 69 H PHE 69 4.295 11.498 3.477 563 HA PHE 69 HA PHE 69 4.520 11.698 0.540 564 HB2 PHE 69 2HB PHE 69 6.552 12.373 2.724 565 HB3 PHE 69 3HB PHE 69 6.827 12.505 0.982 566 HD1 PHE 69 HD1 PHE 69 5.314 14.108 -0.357 567 HD2 PHE 69 HD2 PHE 69 5.594 14.154 3.930 568 HE1 PHE 69 HE1 PHE 69 4.420 16.414 -0.324 569 HE2 PHE 69 HE2 PHE 69 4.694 16.460 3.962 570 HZ PHE 69 HZ PHE 69 4.110 17.597 1.838 571 H SER 70 H SER 70 4.272 9.355 2.820 572 HA SER 70 HA SER 70 6.721 7.957 2.633 573 HB2 SER 70 2HB SER 70 3.881 7.310 3.456 574 HB3 SER 70 3HB SER 70 5.077 6.015 3.310 575 HG SER 70 HG SER 70 6.141 6.736 5.025 576 H GLU 71 H GLU 71 7.418 6.273 1.277 577 HA GLU 71 HA GLU 71 5.754 5.928 -1.134 578 HB2 GLU 71 2HB GLU 71 8.784 5.781 -0.757 579 HB3 GLU 71 3HB GLU 71 7.929 5.425 -2.264 580 HG2 GLU 71 2HG GLU 71 7.237 7.712 -2.536 581 HG3 GLU 71 3HG GLU 71 7.681 8.128 -0.876 582 H ILE 72 H ILE 72 5.090 3.869 -1.675 583 HA ILE 72 HA ILE 72 6.295 1.701 -0.095 584 HB ILE 72 HB ILE 72 4.109 0.533 -0.320 585 HG12 ILE 72 2HG1 ILE 72 3.066 3.160 -1.471 586 HG13 ILE 72 3HG1 ILE 72 3.482 1.757 -2.463 587 HG21 ILE 72 1HG2 ILE 72 2.823 1.961 1.238 588 HG22 ILE 72 2HG2 ILE 72 4.562 1.887 1.681 589 HG23 ILE 72 3HG2 ILE 72 3.906 3.343 0.859 590 HD11 ILE 72 3HD1 ILE 72 1.372 1.818 -0.258 591 HD12 ILE 72 1HD1 ILE 72 1.068 1.847 -2.028 592 HD13 ILE 72 2HD1 ILE 72 1.795 0.392 -1.265 593 H VAL 73 H VAL 73 6.840 -0.259 -1.193 594 HA VAL 73 HA VAL 73 6.637 -0.076 -4.112 595 HB VAL 73 HB VAL 73 8.457 -1.768 -2.324 596 HG11 VAL 73 1HG1 VAL 73 9.589 -2.396 -4.436 597 HG12 VAL 73 2HG1 VAL 73 7.879 -2.943 -4.406 598 HG13 VAL 73 3HG1 VAL 73 8.342 -1.498 -5.366 599 HG21 VAL 73 3HG2 VAL 73 9.051 0.617 -2.331 600 HG22 VAL 73 1HG2 VAL 73 10.264 -0.346 -3.240 601 HG23 VAL 73 2HG2 VAL 73 9.042 0.627 -4.127 602 H VAL 74 H VAL 74 5.347 -1.549 -5.228 603 HA VAL 74 HA VAL 74 4.106 -3.609 -3.535 604 HB VAL 74 HB VAL 74 2.796 -1.915 -5.724 605 HG11 VAL 74 1HG1 VAL 74 0.698 -2.984 -4.959 606 HG12 VAL 74 2HG1 VAL 74 1.872 -4.189 -5.588 607 HG13 VAL 74 3HG1 VAL 74 1.639 -4.002 -3.817 608 HG21 VAL 74 3HG2 VAL 74 3.250 -0.602 -3.696 609 HG22 VAL 74 1HG2 VAL 74 1.491 -0.920 -3.871 610 HG23 VAL 74 2HG2 VAL 74 2.461 -1.862 -2.689 611 H PHE 75 H PHE 75 3.856 -5.678 -4.453 612 HA PHE 75 HA PHE 75 4.901 -5.941 -7.201 613 HB2 PHE 75 2HB PHE 75 5.063 -7.899 -4.855 614 HB3 PHE 75 3HB PHE 75 5.686 -8.184 -6.485 615 HD1 PHE 75 HD1 PHE 75 7.666 -6.952 -7.312 616 HD2 PHE 75 HD2 PHE 75 6.230 -6.458 -3.294 617 HE1 PHE 75 HE1 PHE 75 9.823 -5.923 -6.666 618 HE2 PHE 75 HE2 PHE 75 8.384 -5.422 -2.651 619 HZ PHE 75 HZ PHE 75 10.185 -5.156 -4.335 620 H LEU 76 H LEU 76 3.759 -7.250 -8.670 621 HA LEU 76 HA LEU 76 1.079 -8.018 -7.731 622 HB2 LEU 76 2HB LEU 76 2.203 -7.605 -10.546 623 HB3 LEU 76 3HB LEU 76 0.526 -8.006 -10.153 624 HG LEU 76 HG LEU 76 1.963 -5.425 -9.338 625 HD11 LEU 76 1HD1 LEU 76 0.462 -4.365 -10.986 626 HD12 LEU 76 2HD1 LEU 76 1.542 -5.573 -11.760 627 HD13 LEU 76 3HD1 LEU 76 -0.179 -5.979 -11.444 628 HD21 LEU 76 3HD2 LEU 76 0.249 -6.143 -7.712 629 HD22 LEU 76 1HD2 LEU 76 -0.295 -4.701 -8.632 630 HD23 LEU 76 2HD2 LEU 76 -0.944 -6.325 -9.041 631 H LYS 77 H LYS 77 0.369 -10.141 -7.785 632 HA LYS 77 HA LYS 77 2.196 -12.082 -9.051 633 HB2 LYS 77 2HB LYS 77 0.647 -12.339 -6.428 634 HB3 LYS 77 3HB LYS 77 1.516 -13.658 -7.223 635 HG2 LYS 77 2HG LYS 77 2.784 -11.084 -6.160 636 HG3 LYS 77 3HG LYS 77 2.817 -12.658 -5.355 637 HD2 LYS 77 2HD LYS 77 4.022 -13.636 -7.324 638 HD3 LYS 77 3HD LYS 77 3.995 -12.058 -8.121 639 HE2 LYS 77 2HE LYS 77 5.279 -11.083 -6.189 640 HE3 LYS 77 3HE LYS 77 5.340 -12.684 -5.440 641 HZ1 LYS 77 3HZ LYS 77 6.491 -11.991 -8.068 642 HZ2 LYS 77 1HZ LYS 77 7.330 -12.214 -6.685 643 HZ3 LYS 77 2HZ LYS 77 6.547 -13.469 -7.377 644 H SER 78 H SER 78 0.559 -11.510 -10.902 645 HA SER 78 HA SER 78 -1.220 -13.747 -11.013 646 HB2 SER 78 2HB SER 78 -3.281 -12.551 -11.319 647 HB3 SER 78 3HB SER 78 -2.596 -12.057 -9.765 648 HG SER 78 HG SER 78 -1.689 -10.463 -11.830 649 H ILE 79 H ILE 79 -2.127 -14.027 -13.227 650 HA ILE 79 HA ILE 79 -0.523 -12.518 -15.168 651 HB ILE 79 HB ILE 79 -1.881 -15.258 -15.350 652 HG12 ILE 79 2HG1 ILE 79 1.071 -14.476 -15.435 653 HG13 ILE 79 3HG1 ILE 79 0.240 -15.089 -13.999 654 HG21 ILE 79 1HG2 ILE 79 -0.830 -15.422 -17.582 655 HG22 ILE 79 2HG2 ILE 79 -2.016 -14.076 -17.498 656 HG23 ILE 79 3HG2 ILE 79 -0.256 -13.727 -17.432 657 HD11 ILE 79 3HD1 ILE 79 0.568 -16.581 -16.641 658 HD12 ILE 79 1HD1 ILE 79 1.489 -16.875 -15.127 659 HD13 ILE 79 2HD1 ILE 79 -0.276 -17.203 -15.182 660 H ASN 80 H ASN 80 -3.840 -14.024 -14.726 661 HA ASN 80 HA ASN 80 -4.905 -12.754 -16.996 662 HB2 ASN 80 2HB ASN 80 -6.157 -14.003 -14.530 663 HB3 ASN 80 3HB ASN 80 -7.116 -13.319 -15.849 664 HD21 ASN 80 1HD2 ASN 80 -7.305 -15.949 -15.086 665 HD22 ASN 80 2HD2 ASN 80 -6.783 -16.937 -16.408 666 H ARG 81 H ARG 81 -6.600 -11.038 -17.050 667 HA ARG 81 HA ARG 81 -6.098 -9.069 -14.917 668 HB2 ARG 81 2HB ARG 81 -6.681 -8.591 -17.852 669 HB3 ARG 81 3HB ARG 81 -6.574 -7.338 -16.608 670 HG2 ARG 81 2HG ARG 81 -4.216 -7.931 -16.183 671 HG3 ARG 81 3HG ARG 81 -4.312 -9.235 -17.374 672 HD2 ARG 81 2HD ARG 81 -4.800 -7.575 -19.130 673 HD3 ARG 81 3HD ARG 81 -4.660 -6.282 -17.932 674 HE ARG 81 HE ARG 81 -2.264 -7.713 -17.810 675 HH11 ARG 81 1HH1 ARG 81 -4.018 -5.902 -20.258 676 HH12 ARG 81 2HH1 ARG 81 -2.577 -5.384 -21.069 677 HH21 ARG 81 1HH2 ARG 81 -0.428 -7.051 -18.867 678 HH22 ARG 81 2HH2 ARG 81 -0.518 -6.043 -20.273 679 H ALA 82 H ALA 82 -8.016 -7.294 -14.997 680 HA ALA 82 HA ALA 82 -10.572 -8.673 -15.396 681 HB1 ALA 82 3HB ALA 82 -9.678 -7.276 -12.826 682 HB2 ALA 82 1HB ALA 82 -11.336 -7.874 -13.171 683 HB3 ALA 82 2HB ALA 82 -9.972 -9.036 -13.035 684 H LYS 83 H LYS 83 -12.409 -7.200 -15.619 685 HA LYS 83 HA LYS 83 -11.755 -4.830 -16.995 686 HB2 LYS 83 2HB LYS 83 -13.802 -6.165 -17.386 687 HB3 LYS 83 3HB LYS 83 -14.372 -5.804 -15.751 688 HG2 LYS 83 2HG LYS 83 -14.511 -3.387 -16.317 689 HG3 LYS 83 3HG LYS 83 -13.898 -3.721 -17.942 690 HD2 LYS 83 2HD LYS 83 -15.865 -5.202 -18.384 691 HD3 LYS 83 3HD LYS 83 -16.477 -4.881 -16.756 692 HE2 LYS 83 2HE LYS 83 -16.603 -2.435 -17.296 693 HE3 LYS 83 3HE LYS 83 -16.015 -2.771 -18.929 694 HZ1 LYS 83 3HZ LYS 83 -18.513 -3.830 -17.770 695 HZ2 LYS 83 1HZ LYS 83 -18.403 -2.622 -18.863 696 HZ3 LYS 83 2HZ LYS 83 -17.970 -4.140 -19.278 697 H ASP 84 H ASP 84 -13.615 -5.159 -13.848 698 HA ASP 84 HA ASP 84 -13.002 -2.448 -13.155 699 HB2 ASP 84 2HB ASP 84 -14.265 -4.818 -11.712 700 HB3 ASP 84 3HB ASP 84 -13.967 -3.275 -10.900
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