NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25904 | 2kcy | 16820 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 24.061 0.636 -27.860 2 H2 GLY 1 2H GLY 1 23.695 0.782 -29.503 3 H3 GLY 1 3H GLY 1 25.265 1.097 -28.952 4 HA2 GLY 1 2HA GLY 1 25.173 -1.059 -30.020 5 HA3 GLY 1 3HA GLY 1 25.537 -1.202 -28.307 6 H ASP 2 H ASP 2 24.129 -2.278 -26.980 7 HA ASP 2 HA ASP 2 22.163 -4.025 -28.058 8 HB2 ASP 2 2HB ASP 2 23.434 -4.610 -26.023 9 HB3 ASP 2 3HB ASP 2 22.742 -3.233 -25.162 10 H ARG 3 H ARG 3 20.181 -3.465 -28.686 11 HA ARG 3 HA ARG 3 18.913 -0.969 -27.865 12 HB2 ARG 3 2HB ARG 3 18.052 -3.081 -29.897 13 HB3 ARG 3 3HB ARG 3 17.217 -1.554 -29.619 14 HG2 ARG 3 2HG ARG 3 20.032 -1.899 -30.703 15 HG3 ARG 3 3HG ARG 3 18.609 -1.394 -31.613 16 HD2 ARG 3 2HD ARG 3 19.987 0.149 -29.392 17 HD3 ARG 3 3HD ARG 3 19.957 0.556 -31.110 18 HE ARG 3 HE ARG 3 17.317 0.465 -30.406 19 HH11 ARG 3 1HH1 ARG 3 20.068 2.337 -29.227 20 HH12 ARG 3 2HH1 ARG 3 19.078 3.666 -28.712 21 HH21 ARG 3 1HH2 ARG 3 16.054 2.180 -29.672 22 HH22 ARG 3 2HH2 ARG 3 16.802 3.563 -28.945 23 H ARG 4 H ARG 4 18.702 -1.636 -25.690 24 HA ARG 4 HA ARG 4 17.073 -3.852 -24.880 25 HB2 ARG 4 2HB ARG 4 17.490 -2.970 -22.586 26 HB3 ARG 4 3HB ARG 4 18.958 -3.206 -23.517 27 HG2 ARG 4 2HG ARG 4 18.782 -0.648 -24.044 28 HG3 ARG 4 3HG ARG 4 17.658 -0.606 -22.686 29 HD2 ARG 4 2HD ARG 4 19.822 -0.012 -21.841 30 HD3 ARG 4 3HD ARG 4 19.493 -1.655 -21.276 31 HE ARG 4 HE ARG 4 21.055 -1.271 -23.739 32 HH11 ARG 4 1HH1 ARG 4 20.957 -2.427 -20.426 33 HH12 ARG 4 2HH1 ARG 4 22.575 -3.039 -20.473 34 HH21 ARG 4 1HH2 ARG 4 23.174 -2.075 -23.790 35 HH22 ARG 4 2HH2 ARG 4 23.832 -2.856 -22.387 36 H VAL 5 H VAL 5 14.987 -3.729 -25.457 37 HA VAL 5 HA VAL 5 13.400 -1.290 -25.196 38 HB VAL 5 HB VAL 5 12.541 -4.093 -26.080 39 HG11 VAL 5 1HG1 VAL 5 10.546 -2.980 -27.048 40 HG12 VAL 5 2HG1 VAL 5 11.065 -1.441 -26.354 41 HG13 VAL 5 3HG1 VAL 5 10.620 -2.781 -25.297 42 HG21 VAL 5 3HG2 VAL 5 12.658 -3.238 -28.391 43 HG22 VAL 5 1HG2 VAL 5 14.238 -3.156 -27.607 44 HG23 VAL 5 2HG2 VAL 5 13.273 -1.692 -27.804 45 H ARG 6 H ARG 6 12.536 -0.798 -23.283 46 HA ARG 6 HA ARG 6 11.463 -2.920 -21.500 47 HB2 ARG 6 2HB ARG 6 13.353 -1.606 -20.507 48 HB3 ARG 6 3HB ARG 6 12.456 -0.119 -20.783 49 HG2 ARG 6 2HG ARG 6 10.673 -1.004 -19.214 50 HG3 ARG 6 3HG ARG 6 11.760 -2.351 -18.850 51 HD2 ARG 6 2HD ARG 6 11.954 -0.593 -17.141 52 HD3 ARG 6 3HD ARG 6 13.469 -0.751 -18.040 53 HE ARG 6 HE ARG 6 11.566 1.280 -18.952 54 HH11 ARG 6 1HH1 ARG 6 14.573 0.652 -17.236 55 HH12 ARG 6 2HH1 ARG 6 15.066 2.312 -17.259 56 HH21 ARG 6 1HH2 ARG 6 12.240 3.435 -18.983 57 HH22 ARG 6 2HH2 ARG 6 13.756 3.888 -18.264 58 H LEU 7 H LEU 7 9.568 -2.886 -22.926 59 HA LEU 7 HA LEU 7 8.046 -0.464 -23.279 60 HB2 LEU 7 2HB LEU 7 8.029 -2.239 -25.005 61 HB3 LEU 7 3HB LEU 7 7.279 -3.348 -23.864 62 HG LEU 7 HG LEU 7 5.264 -1.845 -23.769 63 HD11 LEU 7 1HD1 LEU 7 4.954 -0.055 -25.427 64 HD12 LEU 7 2HD1 LEU 7 6.608 -0.280 -25.998 65 HD13 LEU 7 3HD1 LEU 7 6.313 0.299 -24.357 66 HD21 LEU 7 3HD2 LEU 7 5.973 -2.798 -26.561 67 HD22 LEU 7 1HD2 LEU 7 4.348 -2.422 -25.980 68 HD23 LEU 7 2HD2 LEU 7 5.244 -3.767 -25.280 69 H ILE 8 H ILE 8 7.443 0.321 -21.301 70 HA ILE 8 HA ILE 8 5.709 -1.296 -19.537 71 HB ILE 8 HB ILE 8 6.746 1.537 -19.070 72 HG12 ILE 8 2HG1 ILE 8 7.931 -1.097 -18.052 73 HG13 ILE 8 3HG1 ILE 8 8.665 -0.053 -19.262 74 HG21 ILE 8 1HG2 ILE 8 4.733 0.952 -17.754 75 HG22 ILE 8 2HG2 ILE 8 6.135 1.116 -16.699 76 HG23 ILE 8 3HG2 ILE 8 5.542 -0.490 -17.132 77 HD11 ILE 8 3HD1 ILE 8 9.747 0.215 -17.135 78 HD12 ILE 8 1HD1 ILE 8 8.214 0.625 -16.364 79 HD13 ILE 8 2HD1 ILE 8 8.914 1.706 -17.572 80 H ARG 9 H ARG 9 3.956 -1.411 -20.958 81 HA ARG 9 HA ARG 9 2.730 0.726 -22.317 82 HB2 ARG 9 2HB ARG 9 2.305 -1.695 -22.796 83 HB3 ARG 9 3HB ARG 9 1.427 -1.827 -21.281 84 HG2 ARG 9 2HG ARG 9 -0.277 -0.232 -22.123 85 HG3 ARG 9 3HG ARG 9 0.606 -0.104 -23.647 86 HD2 ARG 9 2HD ARG 9 0.266 -2.568 -23.986 87 HD3 ARG 9 3HD ARG 9 -0.722 -2.595 -22.522 88 HE ARG 9 HE ARG 9 -1.866 -0.663 -24.119 89 HH11 ARG 9 1HH1 ARG 9 -1.229 -4.112 -24.452 90 HH12 ARG 9 2HH1 ARG 9 -2.527 -4.364 -25.573 91 HH21 ARG 9 1HH2 ARG 9 -3.564 -1.031 -25.608 92 HH22 ARG 9 2HH2 ARG 9 -3.840 -2.624 -26.234 93 H THR 10 H THR 10 1.341 2.314 -21.641 94 HA THR 10 HA THR 10 0.965 2.727 -18.809 95 HB THR 10 HB THR 10 -0.146 4.445 -21.075 96 HG1 THR 10 HG1 THR 10 2.408 3.913 -20.547 97 HG21 THR 10 3HG2 THR 10 0.041 6.278 -19.405 98 HG22 THR 10 1HG2 THR 10 0.626 5.126 -18.205 99 HG23 THR 10 2HG2 THR 10 -1.024 5.000 -18.816 100 H ARG 11 H ARG 11 -0.318 0.806 -18.456 101 HA ARG 11 HA ARG 11 -3.044 0.671 -19.513 102 HB2 ARG 11 2HB ARG 11 -1.305 -1.318 -18.996 103 HB3 ARG 11 3HB ARG 11 -1.942 -1.192 -17.372 104 HG2 ARG 11 2HG ARG 11 -3.550 -1.838 -19.866 105 HG3 ARG 11 3HG ARG 11 -3.027 -2.989 -18.640 106 HD2 ARG 11 2HD ARG 11 -4.406 -1.764 -16.971 107 HD3 ARG 11 3HD ARG 11 -4.991 -0.712 -18.266 108 HE ARG 11 HE ARG 11 -5.533 -3.277 -19.110 109 HH11 ARG 11 1HH1 ARG 11 -6.434 -1.350 -16.312 110 HH12 ARG 11 2HH1 ARG 11 -7.932 -2.184 -16.058 111 HH21 ARG 11 1HH2 ARG 11 -7.517 -4.353 -18.782 112 HH22 ARG 11 2HH2 ARG 11 -8.552 -3.865 -17.479 113 H GLY 12 H GLY 12 -4.531 1.945 -18.547 114 HA2 GLY 12 2HA GLY 12 -5.197 1.979 -15.839 115 HA3 GLY 12 3HA GLY 12 -4.127 3.350 -16.111 116 H GLY 13 H GLY 13 -7.247 1.959 -16.792 117 HA2 GLY 13 2HA GLY 13 -8.242 4.575 -17.815 118 HA3 GLY 13 3HA GLY 13 -8.972 3.007 -18.146 119 H ASN 14 H ASN 14 -10.967 3.332 -17.259 120 HA ASN 14 HA ASN 14 -11.147 3.771 -14.316 121 HB2 ASN 14 2HB ASN 14 -13.160 4.583 -16.464 122 HB3 ASN 14 3HB ASN 14 -13.425 4.735 -14.733 123 HD21 ASN 14 1HD2 ASN 14 -10.674 5.681 -14.194 124 HD22 ASN 14 2HD2 ASN 14 -10.616 7.302 -14.774 125 H THR 15 H THR 15 -10.757 1.291 -15.850 126 HA THR 15 HA THR 15 -13.140 -0.186 -16.145 127 HB THR 15 HB THR 15 -11.546 -2.201 -16.096 128 HG1 THR 15 HG1 THR 15 -9.856 -1.474 -14.871 129 HG21 THR 15 3HG2 THR 15 -10.470 -1.672 -18.246 130 HG22 THR 15 1HG2 THR 15 -10.807 0.043 -18.013 131 HG23 THR 15 2HG2 THR 15 -12.137 -1.095 -18.240 132 H LYS 16 H LYS 16 -14.491 -0.528 -14.486 133 HA LYS 16 HA LYS 16 -13.634 -0.975 -11.762 134 HB2 LYS 16 2HB LYS 16 -15.630 0.333 -12.060 135 HB3 LYS 16 3HB LYS 16 -16.366 -0.874 -13.108 136 HG2 LYS 16 2HG LYS 16 -16.698 -2.395 -11.261 137 HG3 LYS 16 3HG LYS 16 -15.744 -1.377 -10.179 138 HD2 LYS 16 2HD LYS 16 -17.438 0.353 -10.181 139 HD3 LYS 16 3HD LYS 16 -18.334 -0.444 -11.478 140 HE2 LYS 16 2HE LYS 16 -19.366 -0.731 -9.224 141 HE3 LYS 16 3HE LYS 16 -18.961 -2.259 -10.005 142 HZ1 LYS 16 3HZ LYS 16 -16.990 -2.402 -8.638 143 HZ2 LYS 16 1HZ LYS 16 -18.366 -2.234 -7.670 144 HZ3 LYS 16 2HZ LYS 16 -17.340 -0.914 -7.918 145 H VAL 17 H VAL 17 -13.044 -2.888 -11.036 146 HA VAL 17 HA VAL 17 -14.364 -5.359 -11.568 147 HB VAL 17 HB VAL 17 -13.052 -5.153 -13.703 148 HG11 VAL 17 1HG1 VAL 17 -10.574 -5.161 -11.947 149 HG12 VAL 17 2HG1 VAL 17 -11.173 -3.805 -12.903 150 HG13 VAL 17 3HG1 VAL 17 -10.585 -5.258 -13.713 151 HG21 VAL 17 3HG2 VAL 17 -13.514 -7.413 -12.856 152 HG22 VAL 17 1HG2 VAL 17 -12.018 -7.390 -11.918 153 HG23 VAL 17 2HG2 VAL 17 -11.956 -7.373 -13.685 154 H ARG 18 H ARG 18 -13.537 -7.057 -10.151 155 HA ARG 18 HA ARG 18 -12.161 -6.173 -7.776 156 HB2 ARG 18 2HB ARG 18 -13.055 -8.929 -8.712 157 HB3 ARG 18 3HB ARG 18 -12.326 -8.620 -7.138 158 HG2 ARG 18 2HG ARG 18 -14.179 -7.192 -6.486 159 HG3 ARG 18 3HG ARG 18 -14.886 -7.303 -8.100 160 HD2 ARG 18 2HD ARG 18 -15.362 -9.672 -7.770 161 HD3 ARG 18 3HD ARG 18 -14.502 -9.657 -6.225 162 HE ARG 18 HE ARG 18 -16.240 -8.111 -5.404 163 HH11 ARG 18 1HH1 ARG 18 -17.064 -10.145 -8.139 164 HH12 ARG 18 2HH1 ARG 18 -18.761 -10.129 -7.787 165 HH21 ARG 18 1HH2 ARG 18 -18.474 -8.131 -4.961 166 HH22 ARG 18 2HH2 ARG 18 -19.553 -9.012 -5.995 167 H LEU 19 H LEU 19 -10.139 -6.878 -7.047 168 HA LEU 19 HA LEU 19 -8.036 -6.512 -8.725 169 HB2 LEU 19 2HB LEU 19 -6.523 -7.276 -6.962 170 HB3 LEU 19 3HB LEU 19 -7.757 -6.186 -6.365 171 HG LEU 19 HG LEU 19 -7.871 -9.209 -5.972 172 HD11 LEU 19 1HD1 LEU 19 -5.894 -8.359 -4.827 173 HD12 LEU 19 2HD1 LEU 19 -7.127 -8.824 -3.657 174 HD13 LEU 19 3HD1 LEU 19 -6.861 -7.118 -4.026 175 HD21 LEU 19 3HD2 LEU 19 -9.443 -6.976 -4.649 176 HD22 LEU 19 1HD2 LEU 19 -9.505 -8.682 -4.190 177 HD23 LEU 19 2HD2 LEU 19 -10.066 -8.179 -5.779 178 H ALA 20 H ALA 20 -7.779 -7.618 -10.496 179 HA ALA 20 HA ALA 20 -6.463 -10.162 -10.492 180 HB1 ALA 20 3HB ALA 20 -8.045 -11.352 -11.975 181 HB2 ALA 20 1HB ALA 20 -9.191 -10.014 -11.841 182 HB3 ALA 20 2HB ALA 20 -8.800 -10.985 -10.423 183 H SER 21 H SER 21 -8.421 -8.075 -12.637 184 HA SER 21 HA SER 21 -6.182 -7.775 -14.519 185 HB2 SER 21 2HB SER 21 -7.999 -6.560 -15.889 186 HB3 SER 21 3HB SER 21 -8.232 -8.289 -15.629 187 HG SER 21 HG SER 21 -9.984 -6.536 -15.160 188 H ASP 22 H ASP 22 -7.483 -6.228 -11.835 189 HA ASP 22 HA ASP 22 -5.798 -3.887 -12.181 190 HB2 ASP 22 2HB ASP 22 -8.813 -3.699 -11.809 191 HB3 ASP 22 3HB ASP 22 -7.765 -2.431 -11.191 192 H THR 23 H THR 23 -4.538 -4.675 -10.543 193 HA THR 23 HA THR 23 -5.484 -5.780 -8.113 194 HB THR 23 HB THR 23 -2.741 -4.494 -8.493 195 HG1 THR 23 HG1 THR 23 -2.216 -6.754 -9.191 196 HG21 THR 23 3HG2 THR 23 -3.295 -5.324 -6.205 197 HG22 THR 23 1HG2 THR 23 -2.003 -6.262 -6.954 198 HG23 THR 23 2HG2 THR 23 -3.638 -6.919 -6.884 199 H ARG 24 H ARG 24 -6.523 -4.634 -6.547 200 HA ARG 24 HA ARG 24 -6.013 -1.725 -6.248 201 HB2 ARG 24 2HB ARG 24 -8.453 -3.348 -5.380 202 HB3 ARG 24 3HB ARG 24 -8.265 -1.604 -5.235 203 HG2 ARG 24 2HG ARG 24 -8.349 -3.121 -7.864 204 HG3 ARG 24 3HG ARG 24 -9.716 -2.275 -7.146 205 HD2 ARG 24 2HD ARG 24 -8.607 -0.128 -7.423 206 HD3 ARG 24 3HD ARG 24 -7.118 -0.917 -7.954 207 HE ARG 24 HE ARG 24 -8.907 -1.825 -9.747 208 HH11 ARG 24 1HH1 ARG 24 -8.210 1.458 -8.715 209 HH12 ARG 24 2HH1 ARG 24 -8.585 2.147 -10.258 210 HH21 ARG 24 1HH2 ARG 24 -9.419 -0.900 -11.747 211 HH22 ARG 24 2HH2 ARG 24 -9.254 0.810 -11.978 212 H ILE 25 H ILE 25 -5.582 -0.891 -4.203 213 HA ILE 25 HA ILE 25 -5.345 -2.677 -1.893 214 HB ILE 25 HB ILE 25 -3.150 -2.843 -2.985 215 HG12 ILE 25 2HG1 ILE 25 -2.912 -0.990 -0.555 216 HG13 ILE 25 3HG1 ILE 25 -3.189 -2.726 -0.467 217 HG21 ILE 25 1HG2 ILE 25 -3.003 0.195 -2.885 218 HG22 ILE 25 2HG2 ILE 25 -3.224 -0.782 -4.336 219 HG23 ILE 25 3HG2 ILE 25 -1.716 -0.882 -3.429 220 HD11 ILE 25 3HD1 ILE 25 -0.725 -1.360 -1.552 221 HD12 ILE 25 1HD1 ILE 25 -1.001 -3.106 -1.531 222 HD13 ILE 25 2HD1 ILE 25 -0.884 -2.212 -0.016 223 H ASN 26 H ASN 26 -5.686 -1.589 0.046 224 HA ASN 26 HA ASN 26 -6.432 1.251 -0.040 225 HB2 ASN 26 2HB ASN 26 -6.581 -0.781 2.243 226 HB3 ASN 26 3HB ASN 26 -7.205 0.861 2.302 227 HD21 ASN 26 1HD2 ASN 26 -7.669 -2.328 1.006 228 HD22 ASN 26 2HD2 ASN 26 -9.293 -2.079 0.475 229 H VAL 27 H VAL 27 -4.615 2.433 -0.054 230 HA VAL 27 HA VAL 27 -2.231 1.690 1.437 231 HB VAL 27 HB VAL 27 -2.765 4.095 -0.384 232 HG11 VAL 27 1HG1 VAL 27 -0.125 3.068 0.734 233 HG12 VAL 27 2HG1 VAL 27 -0.945 4.553 1.219 234 HG13 VAL 27 3HG1 VAL 27 -0.309 4.396 -0.418 235 HG21 VAL 27 3HG2 VAL 27 -1.311 1.493 -1.000 236 HG22 VAL 27 1HG2 VAL 27 -1.460 2.880 -2.086 237 HG23 VAL 27 2HG2 VAL 27 -2.896 1.971 -1.615 238 H VAL 28 H VAL 28 -2.274 2.194 3.531 239 HA VAL 28 HA VAL 28 -3.647 4.597 4.532 240 HB VAL 28 HB VAL 28 -2.449 2.241 6.087 241 HG11 VAL 28 1HG1 VAL 28 -3.740 3.107 8.016 242 HG12 VAL 28 2HG1 VAL 28 -4.249 4.497 7.052 243 HG13 VAL 28 3HG1 VAL 28 -2.544 4.276 7.448 244 HG21 VAL 28 3HG2 VAL 28 -4.346 1.492 4.714 245 HG22 VAL 28 1HG2 VAL 28 -5.364 2.768 5.379 246 HG23 VAL 28 2HG2 VAL 28 -4.778 1.469 6.426 247 H ASP 29 H ASP 29 -2.247 6.225 4.121 248 HA ASP 29 HA ASP 29 0.543 6.269 4.385 249 HB2 ASP 29 2HB ASP 29 -1.047 7.980 3.265 250 HB3 ASP 29 3HB ASP 29 -1.281 8.667 4.866 251 HA PRO 30 HA PRO 30 0.245 5.661 8.831 252 HB2 PRO 30 2HB PRO 30 2.831 5.084 9.394 253 HB3 PRO 30 3HB PRO 30 1.826 3.993 8.431 254 HG2 PRO 30 2HG PRO 30 3.887 5.983 7.506 255 HG3 PRO 30 3HG PRO 30 3.609 4.318 6.955 256 HD2 PRO 30 2HD PRO 30 2.659 6.570 5.637 257 HD3 PRO 30 3HD PRO 30 1.926 4.955 5.495 258 H GLU 31 H GLU 31 2.125 8.246 7.411 259 HA GLU 31 HA GLU 31 2.561 9.544 10.022 260 HB2 GLU 31 2HB GLU 31 3.943 11.183 8.766 261 HB3 GLU 31 3HB GLU 31 4.522 9.532 8.585 262 HG2 GLU 31 2HG GLU 31 3.435 9.420 6.364 263 HG3 GLU 31 3HG GLU 31 2.894 11.085 6.556 264 H THR 32 H THR 32 1.003 10.203 6.875 265 HA THR 32 HA THR 32 -0.101 12.730 7.839 266 HB THR 32 HB THR 32 -0.566 11.563 5.064 267 HG1 THR 32 HG1 THR 32 1.588 11.515 5.055 268 HG21 THR 32 3HG2 THR 32 -0.621 13.954 4.396 269 HG22 THR 32 1HG2 THR 32 -0.315 14.439 6.072 270 HG23 THR 32 2HG2 THR 32 -1.824 13.631 5.642 271 H GLY 33 H GLY 33 -1.208 9.483 7.029 272 HA2 GLY 33 2HA GLY 33 -3.134 8.473 7.940 273 HA3 GLY 33 3HA GLY 33 -3.839 10.052 8.226 274 H LYS 34 H LYS 34 -2.622 9.983 5.097 275 HA LYS 34 HA LYS 34 -5.116 10.051 3.793 276 HB2 LYS 34 2HB LYS 34 -2.434 9.354 2.534 277 HB3 LYS 34 3HB LYS 34 -3.857 9.956 1.691 278 HG2 LYS 34 2HG LYS 34 -3.629 12.127 2.823 279 HG3 LYS 34 3HG LYS 34 -2.237 11.520 3.730 280 HD2 LYS 34 2HD LYS 34 -0.973 11.210 1.632 281 HD3 LYS 34 3HD LYS 34 -2.368 11.733 0.690 282 HE2 LYS 34 2HE LYS 34 -2.211 13.985 1.682 283 HE3 LYS 34 3HE LYS 34 -0.848 13.460 2.669 284 HZ1 LYS 34 3HZ LYS 34 -0.872 13.532 -0.294 285 HZ2 LYS 34 1HZ LYS 34 0.439 13.089 0.679 286 HZ3 LYS 34 2HZ LYS 34 -0.141 14.675 0.708 287 H VAL 35 H VAL 35 -6.468 8.308 3.872 288 HA VAL 35 HA VAL 35 -5.461 5.609 3.175 289 HB VAL 35 HB VAL 35 -8.167 6.372 4.398 290 HG11 VAL 35 1HG1 VAL 35 -6.922 3.631 3.941 291 HG12 VAL 35 2HG1 VAL 35 -8.321 4.297 3.099 292 HG13 VAL 35 3HG1 VAL 35 -8.425 3.934 4.820 293 HG21 VAL 35 3HG2 VAL 35 -5.726 5.145 5.744 294 HG22 VAL 35 1HG2 VAL 35 -7.299 5.403 6.505 295 HG23 VAL 35 2HG2 VAL 35 -6.331 6.785 5.990 296 H GLU 36 H GLU 36 -5.536 5.283 1.047 297 HA GLU 36 HA GLU 36 -7.857 6.114 -0.567 298 HB2 GLU 36 2HB GLU 36 -6.170 7.911 -0.816 299 HB3 GLU 36 3HB GLU 36 -4.941 6.728 -1.221 300 HG2 GLU 36 2HG GLU 36 -5.676 7.865 -3.233 301 HG3 GLU 36 3HG GLU 36 -6.159 6.171 -3.301 302 H ILE 37 H ILE 37 -8.356 4.693 -2.173 303 HA ILE 37 HA ILE 37 -6.974 2.133 -2.233 304 HB ILE 37 HB ILE 37 -9.427 2.989 -3.853 305 HG12 ILE 37 2HG1 ILE 37 -9.323 1.456 -1.202 306 HG13 ILE 37 3HG1 ILE 37 -9.841 3.128 -1.379 307 HG21 ILE 37 1HG2 ILE 37 -8.294 0.207 -3.276 308 HG22 ILE 37 2HG2 ILE 37 -8.253 1.042 -4.829 309 HG23 ILE 37 3HG2 ILE 37 -9.797 0.541 -4.148 310 HD11 ILE 37 3HD1 ILE 37 -11.207 0.709 -2.536 311 HD12 ILE 37 1HD1 ILE 37 -11.730 2.384 -2.743 312 HD13 ILE 37 2HD1 ILE 37 -11.724 1.653 -1.139 313 H ALA 38 H ALA 38 -5.090 2.359 -3.259 314 HA ALA 38 HA ALA 38 -4.885 3.635 -5.907 315 HB1 ALA 38 3HB ALA 38 -3.194 4.233 -4.220 316 HB2 ALA 38 1HB ALA 38 -2.457 3.391 -5.587 317 HB3 ALA 38 2HB ALA 38 -2.737 2.535 -4.066 318 H GLU 39 H GLU 39 -3.346 2.364 -7.418 319 HA GLU 39 HA GLU 39 -4.198 -0.484 -7.557 320 HB2 GLU 39 2HB GLU 39 -3.190 1.276 -9.849 321 HB3 GLU 39 3HB GLU 39 -3.669 -0.412 -9.975 322 HG2 GLU 39 2HG GLU 39 -5.538 0.657 -10.810 323 HG3 GLU 39 3HG GLU 39 -5.995 0.429 -9.123 324 H ILE 40 H ILE 40 -2.582 -2.018 -7.463 325 HA ILE 40 HA ILE 40 0.152 -1.183 -7.026 326 HB ILE 40 HB ILE 40 -1.053 -3.972 -7.291 327 HG12 ILE 40 2HG1 ILE 40 -0.124 -2.359 -4.862 328 HG13 ILE 40 3HG1 ILE 40 -1.788 -2.745 -5.265 329 HG21 ILE 40 1HG2 ILE 40 1.798 -3.213 -6.524 330 HG22 ILE 40 2HG2 ILE 40 1.305 -4.062 -7.990 331 HG23 ILE 40 3HG2 ILE 40 1.113 -4.839 -6.421 332 HD11 ILE 40 3HD1 ILE 40 -0.994 -4.098 -3.444 333 HD12 ILE 40 1HD1 ILE 40 0.337 -4.700 -4.433 334 HD13 ILE 40 2HD1 ILE 40 -1.327 -5.112 -4.849 335 H ARG 41 H ARG 41 1.328 -0.564 -8.649 336 HA ARG 41 HA ARG 41 0.643 -1.028 -11.420 337 HB2 ARG 41 2HB ARG 41 2.842 0.647 -10.115 338 HB3 ARG 41 3HB ARG 41 2.458 0.661 -11.834 339 HG2 ARG 41 2HG ARG 41 0.580 1.521 -9.600 340 HG3 ARG 41 3HG ARG 41 1.475 2.605 -10.669 341 HD2 ARG 41 2HD ARG 41 0.240 1.778 -12.613 342 HD3 ARG 41 3HD ARG 41 -0.582 0.579 -11.604 343 HE ARG 41 HE ARG 41 -1.668 2.452 -10.452 344 HH11 ARG 41 1HH1 ARG 41 -0.276 3.188 -13.589 345 HH12 ARG 41 2HH1 ARG 41 -1.448 4.415 -13.955 346 HH21 ARG 41 1HH2 ARG 41 -3.212 4.030 -10.958 347 HH22 ARG 41 2HH2 ARG 41 -3.101 4.903 -12.454 348 H ASN 42 H ASN 42 3.457 -1.540 -9.330 349 HA ASN 42 HA ASN 42 4.231 -3.919 -10.910 350 HB2 ASN 42 2HB ASN 42 6.097 -1.671 -10.009 351 HB3 ASN 42 3HB ASN 42 6.679 -3.261 -10.479 352 HD21 ASN 42 1HD2 ASN 42 5.162 -0.322 -11.649 353 HD22 ASN 42 2HD2 ASN 42 5.504 -0.593 -13.317 354 H VAL 43 H VAL 43 5.309 -5.521 -9.649 355 HA VAL 43 HA VAL 43 5.128 -5.179 -6.693 356 HB VAL 43 HB VAL 43 5.155 -7.854 -8.195 357 HG11 VAL 43 1HG1 VAL 43 5.850 -8.029 -5.839 358 HG12 VAL 43 2HG1 VAL 43 4.284 -8.797 -6.079 359 HG13 VAL 43 3HG1 VAL 43 4.374 -7.204 -5.323 360 HG21 VAL 43 3HG2 VAL 43 2.717 -7.984 -7.851 361 HG22 VAL 43 1HG2 VAL 43 3.140 -6.603 -8.861 362 HG23 VAL 43 2HG2 VAL 43 2.713 -6.355 -7.164 363 H VAL 44 H VAL 44 7.137 -4.048 -8.142 364 HA VAL 44 HA VAL 44 9.519 -5.606 -8.263 365 HB VAL 44 HB VAL 44 9.349 -3.686 -9.700 366 HG11 VAL 44 1HG1 VAL 44 9.301 -1.348 -8.930 367 HG12 VAL 44 2HG1 VAL 44 9.146 -1.885 -7.257 368 HG13 VAL 44 3HG1 VAL 44 7.859 -2.225 -8.415 369 HG21 VAL 44 3HG2 VAL 44 11.480 -3.139 -7.599 370 HG22 VAL 44 1HG2 VAL 44 11.478 -2.516 -9.250 371 HG23 VAL 44 2HG2 VAL 44 11.628 -4.249 -8.965 372 H GLU 45 H GLU 45 9.541 -6.619 -6.271 373 HA GLU 45 HA GLU 45 10.516 -5.071 -3.951 374 HB2 GLU 45 2HB GLU 45 8.566 -6.817 -3.803 375 HB3 GLU 45 3HB GLU 45 9.800 -8.042 -4.015 376 HG2 GLU 45 2HG GLU 45 9.645 -6.060 -1.724 377 HG3 GLU 45 3HG GLU 45 9.139 -7.742 -1.658 378 H ASN 46 H ASN 46 11.113 -7.935 -5.949 379 HA ASN 46 HA ASN 46 14.035 -7.588 -5.705 380 HB2 ASN 46 2HB ASN 46 13.292 -9.482 -4.265 381 HB3 ASN 46 3HB ASN 46 12.521 -10.236 -5.655 382 HD21 ASN 46 1HD2 ASN 46 15.647 -9.271 -4.314 383 HD22 ASN 46 2HD2 ASN 46 16.582 -10.433 -5.185 384 H THR 47 H THR 47 11.261 -8.559 -7.686 385 HA THR 47 HA THR 47 12.811 -9.064 -10.059 386 HB THR 47 HB THR 47 10.704 -10.199 -9.926 387 HG1 THR 47 HG1 THR 47 10.460 -8.167 -11.909 388 HG21 THR 47 3HG2 THR 47 9.269 -7.510 -9.872 389 HG22 THR 47 1HG2 THR 47 9.407 -8.625 -8.509 390 HG23 THR 47 2HG2 THR 47 8.504 -9.098 -9.945 391 H ALA 48 H ALA 48 14.136 -7.228 -10.106 392 HA ALA 48 HA ALA 48 13.047 -4.568 -10.526 393 HB1 ALA 48 3HB ALA 48 15.040 -4.867 -9.111 394 HB2 ALA 48 1HB ALA 48 15.404 -3.848 -10.503 395 HB3 ALA 48 2HB ALA 48 15.933 -5.533 -10.479 396 H ASN 49 H ASN 49 13.032 -3.452 -12.402 397 HA ASN 49 HA ASN 49 12.886 -2.953 -14.564 398 HB2 ASN 49 2HB ASN 49 15.159 -4.938 -14.923 399 HB3 ASN 49 3HB ASN 49 14.550 -3.912 -16.218 400 HD21 ASN 49 1HD2 ASN 49 16.375 -4.012 -13.250 401 HD22 ASN 49 2HD2 ASN 49 17.020 -2.411 -13.368 402 HA PRO 50 HA PRO 50 9.666 -5.936 -15.893 403 HB2 PRO 50 2HB PRO 50 9.833 -4.032 -18.245 404 HB3 PRO 50 3HB PRO 50 8.403 -4.722 -17.449 405 HG2 PRO 50 2HG PRO 50 9.126 -2.222 -16.895 406 HG3 PRO 50 3HG PRO 50 8.600 -3.293 -15.580 407 HD2 PRO 50 2HD PRO 50 11.387 -2.419 -16.317 408 HD3 PRO 50 3HD PRO 50 10.679 -2.702 -14.709 409 H HIS 51 H HIS 51 10.916 -7.794 -16.271 410 HA HIS 51 HA HIS 51 11.932 -8.135 -19.036 411 HB2 HIS 51 2HB HIS 51 13.520 -9.876 -18.143 412 HB3 HIS 51 3HB HIS 51 13.867 -8.244 -17.608 413 HD1 HIS 51 HD1 HIS 51 13.673 -7.767 -15.068 414 HD2 HIS 51 HD2 HIS 51 12.824 -11.698 -16.078 415 HE1 HIS 51 HE1 HIS 51 13.622 -9.019 -12.909 416 HE2 HIS 51 HE2 HIS 51 13.068 -11.386 -13.538 417 H PHE 52 H PHE 52 9.658 -8.573 -19.463 418 HA PHE 52 HA PHE 52 7.885 -9.891 -19.968 419 HB2 PHE 52 2HB PHE 52 9.746 -11.310 -20.947 420 HB3 PHE 52 3HB PHE 52 9.810 -12.213 -19.445 421 HD1 PHE 52 HD1 PHE 52 7.617 -11.444 -22.381 422 HD2 PHE 52 HD2 PHE 52 8.344 -14.099 -19.100 423 HE1 PHE 52 HE1 PHE 52 5.982 -13.038 -23.287 424 HE2 PHE 52 HE2 PHE 52 6.698 -15.674 -20.013 425 HZ PHE 52 HZ PHE 52 5.517 -15.151 -22.114 426 H VAL 53 H VAL 53 8.371 -9.058 -17.155 427 HA VAL 53 HA VAL 53 7.146 -11.250 -15.604 428 HB VAL 53 HB VAL 53 7.773 -9.899 -13.569 429 HG11 VAL 53 1HG1 VAL 53 10.174 -10.481 -13.638 430 HG12 VAL 53 2HG1 VAL 53 10.067 -10.697 -15.389 431 HG13 VAL 53 3HG1 VAL 53 9.166 -11.765 -14.310 432 HG21 VAL 53 3HG2 VAL 53 7.942 -7.641 -14.581 433 HG22 VAL 53 1HG2 VAL 53 9.334 -8.164 -15.536 434 HG23 VAL 53 2HG2 VAL 53 9.446 -8.086 -13.776 435 H ARG 54 H ARG 54 5.221 -11.128 -14.736 436 HA ARG 54 HA ARG 54 3.757 -8.602 -14.399 437 HB2 ARG 54 2HB ARG 54 1.699 -9.572 -15.404 438 HB3 ARG 54 3HB ARG 54 2.981 -9.444 -16.595 439 HG2 ARG 54 2HG ARG 54 3.404 -11.843 -16.500 440 HG3 ARG 54 3HG ARG 54 2.275 -12.015 -15.151 441 HD2 ARG 54 2HD ARG 54 1.553 -11.172 -17.979 442 HD3 ARG 54 3HD ARG 54 1.241 -12.753 -17.248 443 HE ARG 54 HE ARG 54 -0.068 -11.274 -15.524 444 HH11 ARG 54 1HH1 ARG 54 -0.066 -10.833 -19.013 445 HH12 ARG 54 2HH1 ARG 54 -1.638 -10.104 -19.039 446 HH21 ARG 54 1HH2 ARG 54 -2.100 -10.308 -15.574 447 HH22 ARG 54 2HH2 ARG 54 -2.780 -9.793 -17.083 448 H ARG 55 H ARG 55 5.187 -10.440 -12.687 449 HA ARG 55 HA ARG 55 3.679 -12.413 -11.424 450 HB2 ARG 55 2HB ARG 55 6.164 -12.145 -11.267 451 HB3 ARG 55 3HB ARG 55 5.930 -10.743 -10.231 452 HG2 ARG 55 2HG ARG 55 4.683 -12.305 -8.627 453 HG3 ARG 55 3HG ARG 55 5.274 -13.639 -9.620 454 HD2 ARG 55 2HD ARG 55 6.960 -11.631 -8.093 455 HD3 ARG 55 3HD ARG 55 6.706 -13.331 -7.685 456 HE ARG 55 HE ARG 55 7.815 -13.079 -10.290 457 HH11 ARG 55 1HH1 ARG 55 8.731 -12.939 -6.889 458 HH12 ARG 55 2HH1 ARG 55 10.397 -13.292 -7.209 459 HH21 ARG 55 1HH2 ARG 55 9.994 -13.530 -10.679 460 HH22 ARG 55 2HH2 ARG 55 11.111 -13.640 -9.353 461 H ASN 56 H ASN 56 1.780 -12.082 -10.417 462 HA ASN 56 HA ASN 56 1.410 -9.764 -8.603 463 HB2 ASN 56 2HB ASN 56 -0.188 -10.092 -10.562 464 HB3 ASN 56 3HB ASN 56 -0.727 -11.587 -9.814 465 HD21 ASN 56 1HD2 ASN 56 -2.104 -11.467 -8.019 466 HD22 ASN 56 2HD2 ASN 56 -2.828 -9.985 -7.502 467 H ILE 57 H ILE 57 2.938 -12.267 -8.071 468 HA ILE 57 HA ILE 57 1.509 -13.527 -5.874 469 HB ILE 57 HB ILE 57 4.469 -13.680 -6.610 470 HG12 ILE 57 2HG1 ILE 57 2.203 -15.654 -7.172 471 HG13 ILE 57 3HG1 ILE 57 2.952 -14.605 -8.366 472 HG21 ILE 57 1HG2 ILE 57 2.885 -15.400 -4.652 473 HG22 ILE 57 2HG2 ILE 57 4.117 -14.213 -4.220 474 HG23 ILE 57 3HG2 ILE 57 4.569 -15.663 -5.116 475 HD11 ILE 57 3HD1 ILE 57 5.058 -15.809 -8.107 476 HD12 ILE 57 1HD1 ILE 57 3.734 -16.885 -8.549 477 HD13 ILE 57 2HD1 ILE 57 4.317 -16.849 -6.886 478 H ILE 58 H ILE 58 0.893 -11.769 -4.708 479 HA ILE 58 HA ILE 58 2.862 -9.891 -3.558 480 HB ILE 58 HB ILE 58 -0.187 -9.740 -3.807 481 HG12 ILE 58 2HG1 ILE 58 1.993 -8.238 -5.352 482 HG13 ILE 58 3HG1 ILE 58 1.027 -9.562 -5.982 483 HG21 ILE 58 1HG2 ILE 58 0.023 -7.373 -3.082 484 HG22 ILE 58 2HG2 ILE 58 1.744 -7.626 -2.780 485 HG23 ILE 58 3HG2 ILE 58 0.545 -8.499 -1.826 486 HD11 ILE 58 3HD1 ILE 58 0.267 -7.436 -6.808 487 HD12 ILE 58 1HD1 ILE 58 -0.013 -6.866 -5.165 488 HD13 ILE 58 2HD1 ILE 58 -0.979 -8.196 -5.816 489 H THR 59 H THR 59 3.493 -10.381 -1.538 490 HA THR 59 HA THR 59 1.723 -11.929 0.277 491 HB THR 59 HB THR 59 3.887 -12.778 1.304 492 HG1 THR 59 HG1 THR 59 5.531 -11.536 0.673 493 HG21 THR 59 3HG2 THR 59 4.397 -14.411 -0.482 494 HG22 THR 59 1HG2 THR 59 3.498 -13.433 -1.645 495 HG23 THR 59 2HG2 THR 59 2.656 -14.199 -0.294 496 H ARG 60 H ARG 60 2.101 -11.535 2.598 497 HA ARG 60 HA ARG 60 2.154 -8.776 3.286 498 HB2 ARG 60 2HB ARG 60 0.880 -10.474 4.591 499 HB3 ARG 60 3HB ARG 60 2.389 -11.216 5.116 500 HG2 ARG 60 2HG ARG 60 3.003 -9.069 6.253 501 HG3 ARG 60 3HG ARG 60 1.434 -8.409 5.787 502 HD2 ARG 60 2HD ARG 60 1.370 -9.176 8.094 503 HD3 ARG 60 3HD ARG 60 0.316 -10.180 7.093 504 HE ARG 60 HE ARG 60 2.939 -11.303 7.341 505 HH11 ARG 60 1HH1 ARG 60 -0.111 -10.993 9.087 506 HH12 ARG 60 2HH1 ARG 60 0.144 -12.439 10.016 507 HH21 ARG 60 1HH2 ARG 60 3.255 -13.170 8.594 508 HH22 ARG 60 2HH2 ARG 60 2.050 -13.656 9.746 509 H GLY 61 H GLY 61 3.765 -7.525 4.142 510 HA2 GLY 61 2HA GLY 61 5.860 -6.888 4.888 511 HA3 GLY 61 3HA GLY 61 6.419 -8.548 4.780 512 H ALA 62 H ALA 62 4.980 -7.952 1.873 513 HA ALA 62 HA ALA 62 7.524 -7.576 0.516 514 HB1 ALA 62 3HB ALA 62 5.879 -9.178 -0.364 515 HB2 ALA 62 1HB ALA 62 6.234 -7.919 -1.551 516 HB3 ALA 62 2HB ALA 62 4.728 -7.868 -0.626 517 H VAL 63 H VAL 63 8.141 -5.796 -0.716 518 HA VAL 63 HA VAL 63 6.688 -3.289 -0.389 519 HB VAL 63 HB VAL 63 9.324 -3.828 -1.840 520 HG11 VAL 63 1HG1 VAL 63 8.239 -1.757 -2.603 521 HG12 VAL 63 2HG1 VAL 63 9.704 -1.397 -1.687 522 HG13 VAL 63 3HG1 VAL 63 8.123 -1.193 -0.932 523 HG21 VAL 63 3HG2 VAL 63 8.926 -2.805 0.991 524 HG22 VAL 63 1HG2 VAL 63 10.470 -2.922 0.145 525 HG23 VAL 63 2HG2 VAL 63 9.567 -4.387 0.536 526 H VAL 64 H VAL 64 5.073 -3.002 -1.773 527 HA VAL 64 HA VAL 64 5.335 -3.787 -4.627 528 HB VAL 64 HB VAL 64 2.858 -3.501 -4.762 529 HG11 VAL 64 1HG1 VAL 64 3.762 -5.745 -4.385 530 HG12 VAL 64 2HG1 VAL 64 2.218 -5.558 -3.558 531 HG13 VAL 64 3HG1 VAL 64 3.722 -5.498 -2.635 532 HG21 VAL 64 3HG2 VAL 64 2.953 -3.126 -1.734 533 HG22 VAL 64 1HG2 VAL 64 1.489 -3.310 -2.703 534 HG23 VAL 64 2HG2 VAL 64 2.507 -1.888 -2.912 535 H GLU 65 H GLU 65 4.606 -2.187 -6.181 536 HA GLU 65 HA GLU 65 4.901 0.630 -5.320 537 HB2 GLU 65 2HB GLU 65 6.401 -0.074 -7.142 538 HB3 GLU 65 3HB GLU 65 5.026 -0.634 -8.095 539 HG2 GLU 65 2HG GLU 65 4.163 1.724 -8.137 540 HG3 GLU 65 3HG GLU 65 5.634 2.245 -7.317 541 H THR 66 H THR 66 3.198 2.056 -5.559 542 HA THR 66 HA THR 66 0.721 1.183 -6.912 543 HB THR 66 HB THR 66 -0.687 1.988 -5.091 544 HG1 THR 66 HG1 THR 66 1.568 2.530 -3.466 545 HG21 THR 66 3HG2 THR 66 1.494 0.238 -3.876 546 HG22 THR 66 1HG2 THR 66 0.102 -0.348 -4.798 547 HG23 THR 66 2HG2 THR 66 -0.140 0.448 -3.243 548 H ASN 67 H ASN 67 -0.848 3.283 -6.763 549 HA ASN 67 HA ASN 67 0.191 5.327 -8.374 550 HB2 ASN 67 2HB ASN 67 -2.250 5.397 -6.550 551 HB3 ASN 67 3HB ASN 67 -1.901 6.590 -7.796 552 HD21 ASN 67 1HD2 ASN 67 -3.784 6.181 -8.894 553 HD22 ASN 67 2HD2 ASN 67 -4.088 4.728 -9.756 554 H LEU 68 H LEU 68 0.264 4.956 -4.904 555 HA LEU 68 HA LEU 68 0.939 7.797 -4.440 556 HB2 LEU 68 2HB LEU 68 0.237 5.588 -2.467 557 HB3 LEU 68 3HB LEU 68 0.473 7.287 -2.072 558 HG LEU 68 HG LEU 68 -1.756 6.210 -3.857 559 HD11 LEU 68 1HD1 LEU 68 -1.966 7.255 -1.028 560 HD12 LEU 68 2HD1 LEU 68 -2.096 5.566 -1.516 561 HD13 LEU 68 3HD1 LEU 68 -3.298 6.732 -2.057 562 HD21 LEU 68 3HD2 LEU 68 -1.127 8.484 -4.515 563 HD22 LEU 68 1HD2 LEU 68 -1.276 9.033 -2.843 564 HD23 LEU 68 2HD2 LEU 68 -2.703 8.488 -3.727 565 H GLY 69 H GLY 69 2.520 5.006 -5.157 566 HA2 GLY 69 2HA GLY 69 4.950 5.031 -5.259 567 HA3 GLY 69 3HA GLY 69 4.975 5.734 -3.643 568 H ASN 70 H ASN 70 6.416 3.933 -3.096 569 HA ASN 70 HA ASN 70 5.490 1.218 -3.260 570 HB2 ASN 70 2HB ASN 70 7.863 2.431 -1.783 571 HB3 ASN 70 3HB ASN 70 7.532 0.699 -1.877 572 HD21 ASN 70 1HD2 ASN 70 7.798 -0.377 -3.893 573 HD22 ASN 70 2HD2 ASN 70 8.667 0.350 -5.196 574 H VAL 71 H VAL 71 4.579 -0.084 -1.729 575 HA VAL 71 HA VAL 71 3.831 1.028 0.913 576 HB VAL 71 HB VAL 71 2.071 -0.569 -1.032 577 HG11 VAL 71 1HG1 VAL 71 0.211 -0.240 0.545 578 HG12 VAL 71 2HG1 VAL 71 1.304 0.539 1.690 579 HG13 VAL 71 3HG1 VAL 71 1.523 -1.162 1.283 580 HG21 VAL 71 3HG2 VAL 71 1.823 2.334 -0.173 581 HG22 VAL 71 1HG2 VAL 71 0.675 1.459 -1.194 582 HG23 VAL 71 2HG2 VAL 71 2.318 1.751 -1.764 583 H ARG 72 H ARG 72 3.805 -0.483 2.618 584 HA ARG 72 HA ARG 72 4.866 -3.187 2.191 585 HB2 ARG 72 2HB ARG 72 4.054 -1.689 4.725 586 HB3 ARG 72 3HB ARG 72 4.421 -3.409 4.746 587 HG2 ARG 72 2HG ARG 72 6.337 -1.223 3.927 588 HG3 ARG 72 3HG ARG 72 6.294 -1.998 5.510 589 HD2 ARG 72 2HD ARG 72 6.885 -4.149 4.482 590 HD3 ARG 72 3HD ARG 72 6.862 -3.408 2.874 591 HE ARG 72 HE ARG 72 8.609 -1.917 4.443 592 HH11 ARG 72 1HH1 ARG 72 8.522 -5.219 3.223 593 HH12 ARG 72 2HH1 ARG 72 10.246 -5.322 3.075 594 HH21 ARG 72 1HH2 ARG 72 10.830 -2.080 4.241 595 HH22 ARG 72 2HH2 ARG 72 11.555 -3.538 3.643 596 H VAL 73 H VAL 73 3.511 -4.850 1.835 597 HA VAL 73 HA VAL 73 0.643 -4.601 2.011 598 HB VAL 73 HB VAL 73 2.333 -7.133 1.678 599 HG11 VAL 73 1HG1 VAL 73 0.317 -8.097 0.610 600 HG12 VAL 73 2HG1 VAL 73 -0.580 -6.618 0.967 601 HG13 VAL 73 3HG1 VAL 73 0.007 -7.630 2.286 602 HG21 VAL 73 3HG2 VAL 73 2.911 -5.502 -0.062 603 HG22 VAL 73 1HG2 VAL 73 1.206 -5.309 -0.480 604 HG23 VAL 73 2HG2 VAL 73 2.018 -6.853 -0.756 605 H THR 74 H THR 74 -0.393 -4.652 3.999 606 HA THR 74 HA THR 74 1.032 -5.790 6.336 607 HB THR 74 HB THR 74 -0.624 -4.516 7.708 608 HG1 THR 74 HG1 THR 74 -1.977 -3.007 6.588 609 HG21 THR 74 3HG2 THR 74 0.213 -2.244 7.225 610 HG22 THR 74 1HG2 THR 74 0.802 -2.785 5.649 611 HG23 THR 74 2HG2 THR 74 1.517 -3.429 7.131 612 H SER 75 H SER 75 -1.636 -6.243 4.239 613 HA SER 75 HA SER 75 -2.914 -8.294 5.940 614 HB2 SER 75 2HB SER 75 -4.302 -6.359 5.106 615 HB3 SER 75 3HB SER 75 -3.978 -6.877 3.454 616 HG SER 75 HG SER 75 -5.550 -8.082 5.443 617 H ARG 76 H ARG 76 -4.116 -9.912 4.229 618 HA ARG 76 HA ARG 76 -2.136 -10.898 2.253 619 HB2 ARG 76 2HB ARG 76 -4.409 -12.385 3.670 620 HB3 ARG 76 3HB ARG 76 -3.451 -13.061 2.362 621 HG2 ARG 76 2HG ARG 76 -2.544 -13.994 4.328 622 HG3 ARG 76 3HG ARG 76 -1.404 -12.736 3.849 623 HD2 ARG 76 2HD ARG 76 -1.704 -12.656 6.248 624 HD3 ARG 76 3HD ARG 76 -2.452 -11.218 5.545 625 HE ARG 76 HE ARG 76 -4.499 -13.024 5.716 626 HH11 ARG 76 1HH1 ARG 76 -2.261 -11.717 8.085 627 HH12 ARG 76 2HH1 ARG 76 -3.378 -11.864 9.398 628 HH21 ARG 76 1HH2 ARG 76 -5.945 -13.222 7.470 629 HH22 ARG 76 2HH2 ARG 76 -5.451 -12.713 9.053 630 HA PRO 77 HA PRO 77 -5.157 -9.506 -0.891 631 HB2 PRO 77 2HB PRO 77 -4.337 -11.218 -2.945 632 HB3 PRO 77 3HB PRO 77 -3.578 -9.670 -2.559 633 HG2 PRO 77 2HG PRO 77 -2.728 -12.438 -1.726 634 HG3 PRO 77 3HG PRO 77 -1.735 -11.080 -2.303 635 HD2 PRO 77 2HD PRO 77 -1.881 -11.676 0.317 636 HD3 PRO 77 3HD PRO 77 -1.803 -9.984 -0.227 637 H GLY 78 H GLY 78 -7.140 -10.165 -0.206 638 HA2 GLY 78 2HA GLY 78 -8.915 -11.737 -1.057 639 HA3 GLY 78 3HA GLY 78 -7.905 -13.038 -0.439 640 H GLN 79 H GLN 79 -7.448 -10.698 1.814 641 HA GLN 79 HA GLN 79 -9.171 -11.877 3.762 642 HB2 GLN 79 2HB GLN 79 -7.508 -9.337 3.819 643 HB3 GLN 79 3HB GLN 79 -8.428 -9.892 5.211 644 HG2 GLN 79 2HG GLN 79 -6.188 -11.415 3.853 645 HG3 GLN 79 3HG GLN 79 -6.074 -10.536 5.376 646 HE21 GLN 79 1HE2 GLN 79 -8.640 -11.407 6.430 647 HE22 GLN 79 2HE2 GLN 79 -8.471 -13.082 6.817 648 H ASP 80 H ASP 80 -9.168 -8.406 2.883 649 HA ASP 80 HA ASP 80 -12.090 -8.237 3.150 650 HB2 ASP 80 2HB ASP 80 -9.947 -6.129 2.566 651 HB3 ASP 80 3HB ASP 80 -11.665 -5.766 2.711 652 H GLY 81 H GLY 81 -11.247 -9.942 0.990 653 HA2 GLY 81 2HA GLY 81 -10.936 -10.253 -1.245 654 HA3 GLY 81 3HA GLY 81 -11.939 -8.825 -1.490 655 H VAL 82 H VAL 82 -10.871 -6.746 -1.236 656 HA VAL 82 HA VAL 82 -8.579 -6.277 -2.726 657 HB VAL 82 HB VAL 82 -10.414 -4.654 -2.277 658 HG11 VAL 82 1HG1 VAL 82 -9.263 -4.389 0.522 659 HG12 VAL 82 2HG1 VAL 82 -10.804 -5.136 0.099 660 HG13 VAL 82 3HG1 VAL 82 -10.562 -3.410 -0.164 661 HG21 VAL 82 3HG2 VAL 82 -9.078 -2.600 -2.007 662 HG22 VAL 82 1HG2 VAL 82 -8.298 -3.742 -3.105 663 HG23 VAL 82 2HG2 VAL 82 -7.702 -3.560 -1.454 664 H ILE 83 H ILE 83 -6.526 -5.404 -2.072 665 HA ILE 83 HA ILE 83 -5.263 -6.603 0.283 666 HB ILE 83 HB ILE 83 -4.021 -4.813 -1.890 667 HG12 ILE 83 2HG1 ILE 83 -4.131 -7.858 -1.763 668 HG13 ILE 83 3HG1 ILE 83 -4.982 -6.847 -2.919 669 HG21 ILE 83 1HG2 ILE 83 -2.671 -6.714 0.069 670 HG22 ILE 83 2HG2 ILE 83 -2.666 -4.953 0.183 671 HG23 ILE 83 3HG2 ILE 83 -1.856 -5.750 -1.166 672 HD11 ILE 83 3HD1 ILE 83 -2.834 -6.155 -3.872 673 HD12 ILE 83 1HD1 ILE 83 -3.074 -7.898 -3.923 674 HD13 ILE 83 2HD1 ILE 83 -2.000 -7.199 -2.715 675 H ASN 84 H ASN 84 -4.348 -5.276 2.001 676 HA ASN 84 HA ASN 84 -4.459 -2.355 1.632 677 HB2 ASN 84 2HB ASN 84 -5.222 -1.962 3.960 678 HB3 ASN 84 3HB ASN 84 -6.432 -2.797 3.005 679 HD21 ASN 84 1HD2 ASN 84 -6.960 -4.936 3.517 680 HD22 ASN 84 2HD2 ASN 84 -6.498 -5.663 5.016 681 H GLY 85 H GLY 85 -3.041 -1.180 3.109 682 HA2 GLY 85 2HA GLY 85 -0.856 -2.492 4.406 683 HA3 GLY 85 3HA GLY 85 -0.433 -1.997 2.771 684 H VAL 86 H VAL 86 1.167 -0.788 4.217 685 HA VAL 86 HA VAL 86 0.092 1.912 4.832 686 HB VAL 86 HB VAL 86 1.944 2.206 6.519 687 HG11 VAL 86 1HG1 VAL 86 -0.034 -0.013 7.149 688 HG12 VAL 86 2HG1 VAL 86 -0.329 1.722 7.290 689 HG13 VAL 86 3HG1 VAL 86 0.852 0.943 8.343 690 HG21 VAL 86 3HG2 VAL 86 3.094 0.224 7.454 691 HG22 VAL 86 1HG2 VAL 86 3.479 0.419 5.742 692 HG23 VAL 86 2HG2 VAL 86 2.318 -0.810 6.250 693 H LEU 87 H LEU 87 1.144 3.622 3.914 694 HA LEU 87 HA LEU 87 2.818 3.143 1.657 695 HB2 LEU 87 2HB LEU 87 1.156 5.017 1.886 696 HB3 LEU 87 3HB LEU 87 2.222 5.791 3.044 697 HG LEU 87 HG LEU 87 3.961 6.060 1.271 698 HD11 LEU 87 1HD1 LEU 87 1.888 4.874 -0.605 699 HD12 LEU 87 2HD1 LEU 87 3.410 4.117 -0.129 700 HD13 LEU 87 3HD1 LEU 87 3.426 5.595 -1.086 701 HD21 LEU 87 3HD2 LEU 87 2.364 7.889 1.641 702 HD22 LEU 87 1HD2 LEU 87 1.236 7.168 0.489 703 HD23 LEU 87 2HD2 LEU 87 2.797 7.788 -0.064 704 H ILE 88 H ILE 88 5.033 3.340 1.440 705 HA ILE 88 HA ILE 88 6.695 4.102 3.777 706 HB ILE 88 HB ILE 88 8.216 2.165 3.314 707 HG12 ILE 88 2HG1 ILE 88 6.030 1.350 1.347 708 HG13 ILE 88 3HG1 ILE 88 7.687 1.761 0.944 709 HG21 ILE 88 1HG2 ILE 88 6.846 0.423 4.369 710 HG22 ILE 88 2HG2 ILE 88 5.368 1.298 3.970 711 HG23 ILE 88 3HG2 ILE 88 6.526 1.993 5.106 712 HD11 ILE 88 3HD1 ILE 88 7.508 -0.556 0.750 713 HD12 ILE 88 1HD1 ILE 88 6.641 -0.702 2.273 714 HD13 ILE 88 2HD1 ILE 88 8.355 -0.299 2.278 715 H ARG 89 H ARG 89 9.049 4.260 3.147 716 HA ARG 89 HA ARG 89 9.304 5.683 0.547 717 HB2 ARG 89 2HB ARG 89 10.603 6.351 3.233 718 HB3 ARG 89 3HB ARG 89 10.852 7.237 1.732 719 HG2 ARG 89 2HG ARG 89 8.469 7.914 1.727 720 HG3 ARG 89 3HG ARG 89 8.208 7.014 3.221 721 HD2 ARG 89 2HD ARG 89 9.747 8.501 4.413 722 HD3 ARG 89 3HD ARG 89 10.100 9.370 2.915 723 HE ARG 89 HE ARG 89 7.477 9.354 4.302 724 HH11 ARG 89 1HH1 ARG 89 9.792 11.033 2.249 725 HH12 ARG 89 2HH1 ARG 89 8.806 12.449 2.095 726 HH21 ARG 89 1HH2 ARG 89 6.215 11.228 4.094 727 HH22 ARG 89 2HH2 ARG 89 6.783 12.567 3.149 728 H GLU 90 H GLU 90 9.840 2.996 0.510 729 HA GLU 90 HA GLU 90 12.565 2.293 1.052 730 HB2 GLU 90 2HB GLU 90 10.537 1.062 -0.857 731 HB3 GLU 90 3HB GLU 90 12.117 0.356 -0.547 732 HG2 GLU 90 2HG GLU 90 10.028 0.823 1.595 733 HG3 GLU 90 3HG GLU 90 10.206 -0.688 0.715 734 H LEU 91 H LEU 91 10.909 2.944 -2.045 735 HA LEU 91 HA LEU 91 13.483 3.525 -3.348 736 HB2 LEU 91 2HB LEU 91 10.704 3.099 -4.507 737 HB3 LEU 91 3HB LEU 91 12.118 3.503 -5.467 738 HG LEU 91 HG LEU 91 11.790 0.938 -3.840 739 HD11 LEU 91 1HD1 LEU 91 11.645 1.350 -6.847 740 HD12 LEU 91 2HD1 LEU 91 10.290 0.961 -5.786 741 HD13 LEU 91 3HD1 LEU 91 11.590 -0.206 -6.014 742 HD21 LEU 91 3HD2 LEU 91 14.005 1.752 -5.762 743 HD22 LEU 91 1HD2 LEU 91 13.845 0.185 -4.965 744 HD23 LEU 91 2HD2 LEU 91 14.156 1.628 -4.007 745 H GLU 92 H GLU 92 13.520 5.268 -4.894 746 HA GLU 92 HA GLU 92 13.572 7.396 -5.501 747 HB2 GLU 92 2HB GLU 92 10.634 7.532 -4.760 748 HB3 GLU 92 3HB GLU 92 11.481 8.524 -5.939 749 HG2 GLU 92 2HG GLU 92 10.698 5.616 -6.143 750 HG3 GLU 92 3HG GLU 92 10.251 6.946 -7.207 751 H HIS 93 H HIS 93 14.974 7.709 -3.644 752 HA HIS 93 HA HIS 93 13.961 9.554 -1.567 753 HB2 HIS 93 2HB HIS 93 16.687 8.208 -1.889 754 HB3 HIS 93 3HB HIS 93 16.287 9.347 -0.606 755 HD1 HIS 93 HD1 HIS 93 15.715 8.222 1.518 756 HD2 HIS 93 HD2 HIS 93 14.683 5.873 -1.753 757 HE1 HIS 93 HE1 HIS 93 14.865 6.068 2.469 758 HE2 HIS 93 HE2 HIS 93 14.049 4.774 0.484 759 H HIS 94 H HIS 94 16.954 9.447 -3.550 760 HA HIS 94 HA HIS 94 17.051 12.338 -3.716 761 HB2 HIS 94 2HB HIS 94 19.106 10.810 -3.457 762 HB3 HIS 94 3HB HIS 94 18.896 10.378 -5.150 763 HD1 HIS 94 HD1 HIS 94 20.561 11.665 -6.505 764 HD2 HIS 94 HD2 HIS 94 19.084 13.934 -3.361 765 HE1 HIS 94 HE1 HIS 94 21.631 13.915 -6.731 766 HE2 HIS 94 HE2 HIS 94 20.565 15.324 -4.944 767 H HIS 95 H HIS 95 17.201 9.763 -6.256 768 HA HIS 95 HA HIS 95 15.917 11.493 -8.213 769 HB2 HIS 95 2HB HIS 95 16.001 9.574 -9.764 770 HB3 HIS 95 3HB HIS 95 17.571 9.848 -9.035 771 HD1 HIS 95 HD1 HIS 95 14.630 7.439 -8.799 772 HD2 HIS 95 HD2 HIS 95 18.658 7.641 -7.797 773 HE1 HIS 95 HE1 HIS 95 15.244 5.143 -8.021 774 HE2 HIS 95 HE2 HIS 95 17.700 5.266 -7.515 775 H HIS 96 H HIS 96 13.786 11.438 -8.834 776 HA HIS 96 HA HIS 96 11.977 9.456 -7.553 777 HB2 HIS 96 2HB HIS 96 11.359 12.372 -8.209 778 HB3 HIS 96 3HB HIS 96 10.187 11.205 -7.610 779 HD1 HIS 96 HD1 HIS 96 10.183 10.742 -5.082 780 HD2 HIS 96 HD2 HIS 96 13.302 13.220 -6.268 781 HE1 HIS 96 HE1 HIS 96 11.195 11.617 -2.966 782 HE2 HIS 96 HE2 HIS 96 13.204 12.926 -3.715 783 H HIS 97 H HIS 97 13.452 9.125 -9.901 784 HA HIS 97 HA HIS 97 11.308 8.655 -11.848 785 HB2 HIS 97 2HB HIS 97 12.558 10.732 -12.552 786 HB3 HIS 97 3HB HIS 97 14.045 9.801 -12.599 787 HD1 HIS 97 HD1 HIS 97 10.907 10.455 -14.512 788 HD2 HIS 97 HD2 HIS 97 14.272 8.043 -14.846 789 HE1 HIS 97 HE1 HIS 97 10.887 9.586 -16.861 790 HE2 HIS 97 HE2 HIS 97 12.842 8.009 -16.981 791 H HIS 98 H HIS 98 11.510 6.696 -12.871 792 HA HIS 98 HA HIS 98 13.901 5.168 -13.089 793 HB2 HIS 98 2HB HIS 98 13.249 3.233 -11.661 794 HB3 HIS 98 3HB HIS 98 13.503 4.695 -10.704 795 HD1 HIS 98 HD1 HIS 98 11.252 5.929 -9.913 796 HD2 HIS 98 HD2 HIS 98 10.778 2.051 -11.287 797 HE1 HIS 98 HE1 HIS 98 9.007 5.194 -9.098 798 HE2 HIS 98 HE2 HIS 98 8.882 2.779 -9.746 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 14.524 18.978 1.389 2 H2 GLY 1 2H GLY 1 15.522 19.065 0.035 3 H3 GLY 1 3H GLY 1 15.673 17.777 1.116 4 HA2 GLY 1 2HA GLY 1 14.525 17.051 -0.854 5 HA3 GLY 1 3HA GLY 1 13.482 16.986 0.558 6 H ASP 2 H ASP 2 11.564 18.105 0.511 7 HA ASP 2 HA ASP 2 11.065 20.312 -1.293 8 HB2 ASP 2 2HB ASP 2 10.864 18.405 -2.867 9 HB3 ASP 2 3HB ASP 2 9.705 17.625 -1.799 10 H ARG 3 H ARG 3 9.010 21.282 -0.927 11 HA ARG 3 HA ARG 3 8.089 21.037 1.795 12 HB2 ARG 3 2HB ARG 3 7.330 22.918 -0.478 13 HB3 ARG 3 3HB ARG 3 6.483 22.930 1.062 14 HG2 ARG 3 2HG ARG 3 8.124 24.725 0.974 15 HG3 ARG 3 3HG ARG 3 8.565 23.558 2.219 16 HD2 ARG 3 2HD ARG 3 10.514 24.371 0.895 17 HD3 ARG 3 3HD ARG 3 10.298 22.616 0.802 18 HE ARG 3 HE ARG 3 9.047 24.111 -1.354 19 HH11 ARG 3 1HH1 ARG 3 12.016 22.496 -0.334 20 HH12 ARG 3 2HH1 ARG 3 12.601 22.294 -1.955 21 HH21 ARG 3 1HH2 ARG 3 9.829 23.793 -3.466 22 HH22 ARG 3 2HH2 ARG 3 11.358 23.022 -3.719 23 H ARG 4 H ARG 4 7.204 18.908 1.710 24 HA ARG 4 HA ARG 4 4.771 18.425 0.178 25 HB2 ARG 4 2HB ARG 4 6.347 16.552 0.603 26 HB3 ARG 4 3HB ARG 4 6.122 16.744 2.334 27 HG2 ARG 4 2HG ARG 4 3.696 16.173 2.046 28 HG3 ARG 4 3HG ARG 4 4.007 15.859 0.336 29 HD2 ARG 4 2HD ARG 4 3.974 13.766 1.643 30 HD3 ARG 4 3HD ARG 4 5.573 14.048 0.947 31 HE ARG 4 HE ARG 4 5.824 15.128 3.410 32 HH11 ARG 4 1HH1 ARG 4 4.574 11.992 2.433 33 HH12 ARG 4 2HH1 ARG 4 5.125 11.199 3.871 34 HH21 ARG 4 1HH2 ARG 4 6.515 14.077 5.298 35 HH22 ARG 4 2HH2 ARG 4 6.230 12.382 5.487 36 H VAL 5 H VAL 5 2.858 19.083 0.886 37 HA VAL 5 HA VAL 5 2.487 20.296 3.460 38 HB VAL 5 HB VAL 5 0.142 20.698 2.713 39 HG11 VAL 5 1HG1 VAL 5 1.885 22.324 2.128 40 HG12 VAL 5 2HG1 VAL 5 0.676 22.228 0.846 41 HG13 VAL 5 3HG1 VAL 5 2.241 21.438 0.641 42 HG21 VAL 5 3HG2 VAL 5 0.927 19.197 0.175 43 HG22 VAL 5 1HG2 VAL 5 -0.572 20.102 0.411 44 HG23 VAL 5 2HG2 VAL 5 -0.252 18.658 1.371 45 H ARG 6 H ARG 6 1.532 19.484 5.250 46 HA ARG 6 HA ARG 6 0.860 16.672 5.416 47 HB2 ARG 6 2HB ARG 6 2.086 17.775 7.284 48 HB3 ARG 6 3HB ARG 6 0.711 18.844 7.558 49 HG2 ARG 6 2HG ARG 6 -0.698 16.844 8.092 50 HG3 ARG 6 3HG ARG 6 0.729 15.822 7.894 51 HD2 ARG 6 2HD ARG 6 0.397 18.031 9.951 52 HD3 ARG 6 3HD ARG 6 0.262 16.304 10.272 53 HE ARG 6 HE ARG 6 2.786 16.895 9.107 54 HH11 ARG 6 1HH1 ARG 6 1.060 17.192 12.168 55 HH12 ARG 6 2HH1 ARG 6 2.505 17.122 13.125 56 HH21 ARG 6 1HH2 ARG 6 4.648 16.815 10.352 57 HH22 ARG 6 2HH2 ARG 6 4.555 16.909 12.080 58 H LEU 7 H LEU 7 -0.906 16.653 3.955 59 HA LEU 7 HA LEU 7 -3.337 18.117 4.662 60 HB2 LEU 7 2HB LEU 7 -2.308 17.596 2.226 61 HB3 LEU 7 3HB LEU 7 -3.220 16.111 2.399 62 HG LEU 7 HG LEU 7 -4.476 17.813 1.111 63 HD11 LEU 7 1HD1 LEU 7 -5.795 17.267 3.790 64 HD12 LEU 7 2HD1 LEU 7 -5.818 16.212 2.378 65 HD13 LEU 7 3HD1 LEU 7 -6.622 17.777 2.312 66 HD21 LEU 7 3HD2 LEU 7 -5.271 19.895 2.144 67 HD22 LEU 7 1HD2 LEU 7 -3.509 19.837 2.118 68 HD23 LEU 7 2HD2 LEU 7 -4.381 19.529 3.624 69 H ILE 8 H ILE 8 -4.025 17.170 6.549 70 HA ILE 8 HA ILE 8 -4.294 14.334 6.939 71 HB ILE 8 HB ILE 8 -5.627 16.610 8.489 72 HG12 ILE 8 2HG1 ILE 8 -3.136 16.808 8.525 73 HG13 ILE 8 3HG1 ILE 8 -3.795 16.458 10.118 74 HG21 ILE 8 1HG2 ILE 8 -5.868 14.969 10.337 75 HG22 ILE 8 2HG2 ILE 8 -5.211 13.705 9.293 76 HG23 ILE 8 3HG2 ILE 8 -6.747 14.469 8.888 77 HD11 ILE 8 3HD1 ILE 8 -1.732 15.226 9.679 78 HD12 ILE 8 1HD1 ILE 8 -2.475 14.445 8.287 79 HD13 ILE 8 2HD1 ILE 8 -3.088 14.127 9.914 80 H ARG 9 H ARG 9 -5.401 13.840 4.952 81 HA ARG 9 HA ARG 9 -8.169 14.732 4.625 82 HB2 ARG 9 2HB ARG 9 -6.715 14.520 2.605 83 HB3 ARG 9 3HB ARG 9 -6.552 12.793 2.910 84 HG2 ARG 9 2HG ARG 9 -8.204 13.180 1.150 85 HG3 ARG 9 3HG ARG 9 -9.006 12.516 2.573 86 HD2 ARG 9 2HD ARG 9 -9.739 14.819 3.200 87 HD3 ARG 9 3HD ARG 9 -8.969 15.436 1.731 88 HE ARG 9 HE ARG 9 -10.876 13.338 1.249 89 HH11 ARG 9 1HH1 ARG 9 -10.551 16.825 1.590 90 HH12 ARG 9 2HH1 ARG 9 -12.027 17.157 0.739 91 HH21 ARG 9 1HH2 ARG 9 -12.790 13.804 0.133 92 HH22 ARG 9 2HH2 ARG 9 -13.282 15.453 -0.100 93 H THR 10 H THR 10 -9.289 13.866 6.266 94 HA THR 10 HA THR 10 -9.249 11.016 6.860 95 HB THR 10 HB THR 10 -10.930 11.576 8.582 96 HG1 THR 10 HG1 THR 10 -12.144 13.205 7.907 97 HG21 THR 10 3HG2 THR 10 -8.611 13.552 8.577 98 HG22 THR 10 1HG2 THR 10 -8.559 11.894 9.192 99 HG23 THR 10 2HG2 THR 10 -9.577 13.095 9.981 100 H ARG 11 H ARG 11 -10.241 9.737 5.469 101 HA ARG 11 HA ARG 11 -11.979 10.698 3.423 102 HB2 ARG 11 2HB ARG 11 -12.081 8.174 2.797 103 HB3 ARG 11 3HB ARG 11 -10.558 9.031 2.652 104 HG2 ARG 11 2HG ARG 11 -10.136 6.842 3.550 105 HG3 ARG 11 3HG ARG 11 -9.813 8.028 4.808 106 HD2 ARG 11 2HD ARG 11 -11.950 7.513 5.876 107 HD3 ARG 11 3HD ARG 11 -12.343 6.375 4.585 108 HE ARG 11 HE ARG 11 -9.858 5.805 5.902 109 HH11 ARG 11 1HH1 ARG 11 -13.325 5.330 6.198 110 HH12 ARG 11 2HH1 ARG 11 -13.163 3.833 7.057 111 HH21 ARG 11 1HH2 ARG 11 -9.654 3.831 7.015 112 HH22 ARG 11 2HH2 ARG 11 -11.077 2.985 7.520 113 H GLY 12 H GLY 12 -12.677 9.523 6.542 114 HA2 GLY 12 2HA GLY 12 -14.601 9.080 7.683 115 HA3 GLY 12 3HA GLY 12 -15.426 9.982 6.418 116 H GLY 13 H GLY 13 -17.130 8.793 5.812 117 HA2 GLY 13 2HA GLY 13 -17.053 5.898 5.537 118 HA3 GLY 13 3HA GLY 13 -18.419 6.961 5.212 119 H ASN 14 H ASN 14 -15.231 5.999 3.962 120 HA ASN 14 HA ASN 14 -15.574 7.231 1.412 121 HB2 ASN 14 2HB ASN 14 -13.462 6.057 0.759 122 HB3 ASN 14 3HB ASN 14 -13.320 7.000 2.233 123 HD21 ASN 14 1HD2 ASN 14 -11.658 4.800 1.279 124 HD22 ASN 14 2HD2 ASN 14 -11.682 3.606 2.525 125 H THR 15 H THR 15 -17.476 6.490 0.568 126 HA THR 15 HA THR 15 -18.096 3.741 0.067 127 HB THR 15 HB THR 15 -19.288 6.248 -1.202 128 HG1 THR 15 HG1 THR 15 -19.630 5.006 1.292 129 HG21 THR 15 3HG2 THR 15 -21.304 4.850 -1.575 130 HG22 THR 15 1HG2 THR 15 -20.461 3.444 -0.921 131 HG23 THR 15 2HG2 THR 15 -19.915 4.181 -2.429 132 H LYS 16 H LYS 16 -16.479 2.785 -1.069 133 HA LYS 16 HA LYS 16 -16.126 3.338 -3.894 134 HB2 LYS 16 2HB LYS 16 -14.459 4.870 -2.830 135 HB3 LYS 16 3HB LYS 16 -13.761 3.510 -1.953 136 HG2 LYS 16 2HG LYS 16 -13.098 2.478 -4.122 137 HG3 LYS 16 3HG LYS 16 -13.759 3.871 -4.978 138 HD2 LYS 16 2HD LYS 16 -11.452 3.947 -2.992 139 HD3 LYS 16 3HD LYS 16 -11.291 4.004 -4.744 140 HE2 LYS 16 2HE LYS 16 -12.668 6.095 -3.027 141 HE3 LYS 16 3HE LYS 16 -11.069 6.246 -3.756 142 HZ1 LYS 16 3HZ LYS 16 -12.744 7.383 -5.060 143 HZ2 LYS 16 1HZ LYS 16 -13.627 5.956 -5.239 144 HZ3 LYS 16 2HZ LYS 16 -12.097 6.097 -5.940 145 H VAL 17 H VAL 17 -15.771 1.438 -4.955 146 HA VAL 17 HA VAL 17 -15.526 -1.060 -3.609 147 HB VAL 17 HB VAL 17 -16.623 -0.867 -5.820 148 HG11 VAL 17 1HG1 VAL 17 -15.362 -0.610 -7.916 149 HG12 VAL 17 2HG1 VAL 17 -13.875 -0.335 -7.004 150 HG13 VAL 17 3HG1 VAL 17 -15.202 0.823 -6.898 151 HG21 VAL 17 3HG2 VAL 17 -15.676 -2.882 -6.877 152 HG22 VAL 17 1HG2 VAL 17 -15.773 -3.064 -5.125 153 HG23 VAL 17 2HG2 VAL 17 -14.218 -2.732 -5.892 154 H ARG 18 H ARG 18 -13.692 -2.206 -3.098 155 HA ARG 18 HA ARG 18 -11.314 -0.635 -2.741 156 HB2 ARG 18 2HB ARG 18 -12.025 -3.475 -1.922 157 HB3 ARG 18 3HB ARG 18 -10.444 -2.773 -1.605 158 HG2 ARG 18 2HG ARG 18 -11.710 -2.556 0.403 159 HG3 ARG 18 3HG ARG 18 -11.580 -0.945 -0.299 160 HD2 ARG 18 2HD ARG 18 -13.822 -1.261 0.551 161 HD3 ARG 18 3HD ARG 18 -13.896 -1.218 -1.215 162 HE ARG 18 HE ARG 18 -13.682 -3.900 -0.497 163 HH11 ARG 18 1HH1 ARG 18 -16.035 -1.310 -0.042 164 HH12 ARG 18 2HH1 ARG 18 -17.356 -2.403 0.213 165 HH21 ARG 18 1HH2 ARG 18 -15.419 -5.303 -0.142 166 HH22 ARG 18 2HH2 ARG 18 -17.007 -4.661 0.145 167 H LEU 19 H LEU 19 -12.248 -3.219 -4.934 168 HA LEU 19 HA LEU 19 -10.308 -2.150 -6.750 169 HB2 LEU 19 2HB LEU 19 -9.386 -4.405 -7.474 170 HB3 LEU 19 3HB LEU 19 -8.772 -3.719 -5.996 171 HG LEU 19 HG LEU 19 -10.308 -5.346 -4.734 172 HD11 LEU 19 1HD1 LEU 19 -11.813 -5.989 -6.558 173 HD12 LEU 19 2HD1 LEU 19 -10.979 -7.400 -5.914 174 HD13 LEU 19 3HD1 LEU 19 -10.461 -6.691 -7.447 175 HD21 LEU 19 3HD2 LEU 19 -8.037 -6.446 -6.420 176 HD22 LEU 19 1HD2 LEU 19 -8.698 -7.204 -4.970 177 HD23 LEU 19 2HD2 LEU 19 -7.892 -5.644 -4.855 178 H ALA 20 H ALA 20 -10.925 -2.158 -8.777 179 HA ALA 20 HA ALA 20 -13.192 -3.863 -9.653 180 HB1 ALA 20 3HB ALA 20 -13.947 -1.518 -9.465 181 HB2 ALA 20 1HB ALA 20 -13.907 -2.030 -11.154 182 HB3 ALA 20 2HB ALA 20 -12.631 -0.990 -10.514 183 H SER 21 H SER 21 -10.387 -1.915 -10.733 184 HA SER 21 HA SER 21 -9.621 -3.638 -12.886 185 HB2 SER 21 2HB SER 21 -8.834 -1.273 -12.728 186 HB3 SER 21 3HB SER 21 -7.947 -1.673 -11.257 187 HG SER 21 HG SER 21 -7.500 -2.785 -13.833 188 H ASP 22 H ASP 22 -8.191 -5.347 -12.850 189 HA ASP 22 HA ASP 22 -8.409 -7.434 -11.490 190 HB2 ASP 22 2HB ASP 22 -6.209 -8.274 -12.020 191 HB3 ASP 22 3HB ASP 22 -6.721 -7.192 -13.306 192 H THR 23 H THR 23 -5.784 -5.348 -10.090 193 HA THR 23 HA THR 23 -6.480 -6.334 -7.429 194 HB THR 23 HB THR 23 -3.643 -6.543 -8.554 195 HG1 THR 23 HG1 THR 23 -5.565 -8.590 -7.980 196 HG21 THR 23 3HG2 THR 23 -4.789 -7.484 -5.897 197 HG22 THR 23 1HG2 THR 23 -3.711 -6.107 -6.113 198 HG23 THR 23 2HG2 THR 23 -3.137 -7.739 -6.464 199 H ARG 24 H ARG 24 -6.805 -4.557 -6.368 200 HA ARG 24 HA ARG 24 -4.900 -2.288 -6.489 201 HB2 ARG 24 2HB ARG 24 -7.083 -1.749 -7.552 202 HB3 ARG 24 3HB ARG 24 -7.932 -2.240 -6.097 203 HG2 ARG 24 2HG ARG 24 -7.199 -0.346 -4.892 204 HG3 ARG 24 3HG ARG 24 -5.961 0.038 -6.084 205 HD2 ARG 24 2HD ARG 24 -7.870 1.586 -6.216 206 HD3 ARG 24 3HD ARG 24 -7.649 0.678 -7.710 207 HE ARG 24 HE ARG 24 -9.658 -0.230 -5.761 208 HH11 ARG 24 1HH1 ARG 24 -8.928 1.029 -8.976 209 HH12 ARG 24 2HH1 ARG 24 -10.589 1.018 -9.485 210 HH21 ARG 24 1HH2 ARG 24 -11.852 -0.232 -6.485 211 HH22 ARG 24 2HH2 ARG 24 -12.224 0.302 -8.096 212 H ILE 25 H ILE 25 -5.011 -1.015 -4.339 213 HA ILE 25 HA ILE 25 -5.180 -2.835 -2.028 214 HB ILE 25 HB ILE 25 -2.880 -3.139 -2.809 215 HG12 ILE 25 2HG1 ILE 25 -2.854 -1.319 -0.348 216 HG13 ILE 25 3HG1 ILE 25 -3.240 -3.031 -0.319 217 HG21 ILE 25 1HG2 ILE 25 -2.590 -1.087 -4.130 218 HG22 ILE 25 2HG2 ILE 25 -1.252 -1.281 -2.997 219 HG23 ILE 25 3HG2 ILE 25 -2.539 -0.124 -2.652 220 HD11 ILE 25 3HD1 ILE 25 -0.993 -2.619 0.462 221 HD12 ILE 25 1HD1 ILE 25 -0.578 -1.822 -1.055 222 HD13 ILE 25 2HD1 ILE 25 -0.949 -3.550 -1.037 223 H ASN 26 H ASN 26 -5.540 -1.825 -0.091 224 HA ASN 26 HA ASN 26 -6.419 0.957 -0.137 225 HB2 ASN 26 2HB ASN 26 -6.453 -1.096 2.137 226 HB3 ASN 26 3HB ASN 26 -7.245 0.477 2.158 227 HD21 ASN 26 1HD2 ASN 26 -7.328 -2.756 0.807 228 HD22 ASN 26 2HD2 ASN 26 -8.952 -2.676 0.224 229 H VAL 27 H VAL 27 -4.720 2.392 0.006 230 HA VAL 27 HA VAL 27 -2.244 1.615 1.409 231 HB VAL 27 HB VAL 27 -2.778 3.938 -0.514 232 HG11 VAL 27 1HG1 VAL 27 -0.309 4.187 -0.603 233 HG12 VAL 27 2HG1 VAL 27 -0.145 2.980 0.673 234 HG13 VAL 27 3HG1 VAL 27 -0.961 4.507 1.009 235 HG21 VAL 27 3HG2 VAL 27 -2.940 1.763 -1.635 236 HG22 VAL 27 1HG2 VAL 27 -1.354 1.303 -1.023 237 HG23 VAL 27 2HG2 VAL 27 -1.506 2.639 -2.169 238 H VAL 28 H VAL 28 -2.315 2.165 3.492 239 HA VAL 28 HA VAL 28 -3.662 4.614 4.393 240 HB VAL 28 HB VAL 28 -2.323 2.437 6.091 241 HG11 VAL 28 1HG1 VAL 28 -3.681 3.361 7.940 242 HG12 VAL 28 2HG1 VAL 28 -4.271 4.635 6.869 243 HG13 VAL 28 3HG1 VAL 28 -2.558 4.555 7.283 244 HG21 VAL 28 3HG2 VAL 28 -5.267 2.703 5.347 245 HG22 VAL 28 1HG2 VAL 28 -4.594 1.547 6.506 246 HG23 VAL 28 2HG2 VAL 28 -4.156 1.443 4.803 247 H ASP 29 H ASP 29 -2.382 6.302 3.940 248 HA ASP 29 HA ASP 29 0.423 6.467 4.178 249 HB2 ASP 29 2HB ASP 29 -1.139 8.075 2.925 250 HB3 ASP 29 3HB ASP 29 -1.552 8.783 4.481 251 HA PRO 30 HA PRO 30 0.271 6.192 8.698 252 HB2 PRO 30 2HB PRO 30 2.946 6.142 9.218 253 HB3 PRO 30 3HB PRO 30 2.119 4.783 8.453 254 HG2 PRO 30 2HG PRO 30 3.730 6.982 7.159 255 HG3 PRO 30 3HG PRO 30 3.803 5.230 6.872 256 HD2 PRO 30 2HD PRO 30 2.414 6.928 5.240 257 HD3 PRO 30 3HD PRO 30 1.915 5.241 5.511 258 H GLU 31 H GLU 31 1.540 8.849 6.945 259 HA GLU 31 HA GLU 31 2.434 10.381 9.296 260 HB2 GLU 31 2HB GLU 31 2.704 10.969 6.312 261 HB3 GLU 31 3HB GLU 31 3.552 11.800 7.618 262 HG2 GLU 31 2HG GLU 31 4.919 9.911 8.106 263 HG3 GLU 31 3HG GLU 31 3.869 8.815 7.220 264 H THR 32 H THR 32 0.389 10.839 6.409 265 HA THR 32 HA THR 32 -0.997 13.117 7.638 266 HB THR 32 HB THR 32 -2.005 13.426 5.349 267 HG1 THR 32 HG1 THR 32 -0.147 11.525 4.384 268 HG21 THR 32 3HG2 THR 32 0.065 14.173 4.220 269 HG22 THR 32 1HG2 THR 32 1.036 13.265 5.380 270 HG23 THR 32 2HG2 THR 32 0.068 14.638 5.922 271 H GLY 33 H GLY 33 -1.437 9.769 7.378 272 HA2 GLY 33 2HA GLY 33 -3.077 8.507 8.404 273 HA3 GLY 33 3HA GLY 33 -4.019 9.959 8.678 274 H LYS 34 H LYS 34 -3.255 9.945 5.465 275 HA LYS 34 HA LYS 34 -5.946 9.612 4.658 276 HB2 LYS 34 2HB LYS 34 -3.511 9.614 2.831 277 HB3 LYS 34 3HB LYS 34 -5.172 9.992 2.378 278 HG2 LYS 34 2HG LYS 34 -5.073 11.978 3.902 279 HG3 LYS 34 3HG LYS 34 -3.381 11.620 4.204 280 HD2 LYS 34 2HD LYS 34 -4.575 12.337 1.502 281 HD3 LYS 34 3HD LYS 34 -3.649 13.421 2.531 282 HE2 LYS 34 2HE LYS 34 -2.130 12.702 0.860 283 HE3 LYS 34 3HE LYS 34 -1.702 11.753 2.284 284 HZ1 LYS 34 3HZ LYS 34 -1.803 10.505 0.149 285 HZ2 LYS 34 1HZ LYS 34 -3.469 10.772 0.109 286 HZ3 LYS 34 2HZ LYS 34 -2.786 9.861 1.358 287 H VAL 35 H VAL 35 -6.874 7.610 4.846 288 HA VAL 35 HA VAL 35 -5.653 5.201 3.767 289 HB VAL 35 HB VAL 35 -8.547 5.662 4.682 290 HG11 VAL 35 1HG1 VAL 35 -8.677 3.195 4.858 291 HG12 VAL 35 2HG1 VAL 35 -7.056 3.057 4.175 292 HG13 VAL 35 3HG1 VAL 35 -8.370 3.719 3.200 293 HG21 VAL 35 3HG2 VAL 35 -6.972 6.056 6.525 294 HG22 VAL 35 1HG2 VAL 35 -6.209 4.491 6.244 295 HG23 VAL 35 2HG2 VAL 35 -7.884 4.574 6.797 296 H GLU 36 H GLU 36 -5.417 5.250 1.621 297 HA GLU 36 HA GLU 36 -7.480 6.418 -0.127 298 HB2 GLU 36 2HB GLU 36 -5.509 8.004 0.470 299 HB3 GLU 36 3HB GLU 36 -4.483 6.914 -0.464 300 HG2 GLU 36 2HG GLU 36 -5.814 7.362 -2.475 301 HG3 GLU 36 3HG GLU 36 -6.904 8.399 -1.559 302 H ILE 37 H ILE 37 -8.048 4.886 -1.557 303 HA ILE 37 HA ILE 37 -6.565 2.384 -1.632 304 HB ILE 37 HB ILE 37 -9.148 3.034 -3.135 305 HG12 ILE 37 2HG1 ILE 37 -8.880 1.845 -0.321 306 HG13 ILE 37 3HG1 ILE 37 -9.446 3.472 -0.676 307 HG21 ILE 37 1HG2 ILE 37 -7.964 0.369 -2.251 308 HG22 ILE 37 2HG2 ILE 37 -7.981 1.004 -3.893 309 HG23 ILE 37 3HG2 ILE 37 -9.498 0.589 -3.103 310 HD11 ILE 37 3HD1 ILE 37 -11.286 1.991 -0.172 311 HD12 ILE 37 1HD1 ILE 37 -10.803 0.905 -1.472 312 HD13 ILE 37 2HD1 ILE 37 -11.381 2.529 -1.848 313 H ALA 38 H ALA 38 -4.759 2.470 -2.884 314 HA ALA 38 HA ALA 38 -4.813 3.824 -5.528 315 HB1 ALA 38 3HB ALA 38 -3.160 4.679 -3.916 316 HB2 ALA 38 1HB ALA 38 -2.383 3.983 -5.336 317 HB3 ALA 38 2HB ALA 38 -2.425 3.081 -3.820 318 H GLU 39 H GLU 39 -3.203 2.751 -7.123 319 HA GLU 39 HA GLU 39 -4.222 -0.028 -7.385 320 HB2 GLU 39 2HB GLU 39 -3.557 1.855 -9.694 321 HB3 GLU 39 3HB GLU 39 -4.358 0.288 -9.785 322 HG2 GLU 39 2HG GLU 39 -6.183 1.386 -8.288 323 HG3 GLU 39 3HG GLU 39 -5.455 2.906 -8.777 324 H ILE 40 H ILE 40 -2.812 -1.636 -7.949 325 HA ILE 40 HA ILE 40 -0.039 -1.126 -7.374 326 HB ILE 40 HB ILE 40 -1.491 -3.714 -8.099 327 HG12 ILE 40 2HG1 ILE 40 -0.642 -2.577 -5.383 328 HG13 ILE 40 3HG1 ILE 40 -2.291 -2.630 -5.989 329 HG21 ILE 40 1HG2 ILE 40 1.322 -3.345 -6.979 330 HG22 ILE 40 2HG2 ILE 40 0.914 -3.937 -8.590 331 HG23 ILE 40 3HG2 ILE 40 0.493 -4.892 -7.170 332 HD11 ILE 40 3HD1 ILE 40 -2.209 -5.075 -5.944 333 HD12 ILE 40 1HD1 ILE 40 -1.924 -4.351 -4.359 334 HD13 ILE 40 2HD1 ILE 40 -0.571 -4.998 -5.291 335 H ARG 41 H ARG 41 1.223 -0.320 -8.907 336 HA ARG 41 HA ARG 41 1.020 -0.725 -11.736 337 HB2 ARG 41 2HB ARG 41 3.165 0.454 -9.911 338 HB3 ARG 41 3HB ARG 41 3.339 0.401 -11.662 339 HG2 ARG 41 2HG ARG 41 1.449 1.894 -11.962 340 HG3 ARG 41 3HG ARG 41 1.082 1.848 -10.232 341 HD2 ARG 41 2HD ARG 41 2.382 3.910 -11.161 342 HD3 ARG 41 3HD ARG 41 2.950 3.161 -9.669 343 HE ARG 41 HE ARG 41 4.559 1.910 -11.239 344 HH11 ARG 41 1HH1 ARG 41 3.517 5.212 -11.890 345 HH12 ARG 41 2HH1 ARG 41 5.042 5.662 -12.583 346 HH21 ARG 41 1HH2 ARG 41 6.534 2.519 -12.078 347 HH22 ARG 41 2HH2 ARG 41 6.764 4.140 -12.664 348 H ASN 42 H ASN 42 3.336 -1.754 -9.254 349 HA ASN 42 HA ASN 42 4.057 -4.193 -10.735 350 HB2 ASN 42 2HB ASN 42 6.063 -2.088 -9.769 351 HB3 ASN 42 3HB ASN 42 6.527 -3.730 -10.219 352 HD21 ASN 42 1HD2 ASN 42 7.211 -1.040 -11.365 353 HD22 ASN 42 2HD2 ASN 42 6.878 -1.196 -13.054 354 H VAL 43 H VAL 43 5.284 -5.714 -9.300 355 HA VAL 43 HA VAL 43 5.046 -5.097 -6.399 356 HB VAL 43 HB VAL 43 4.984 -7.886 -7.672 357 HG11 VAL 43 1HG1 VAL 43 4.418 -8.716 -5.416 358 HG12 VAL 43 2HG1 VAL 43 4.595 -7.083 -4.763 359 HG13 VAL 43 3HG1 VAL 43 5.996 -7.923 -5.430 360 HG21 VAL 43 3HG2 VAL 43 2.913 -6.632 -8.140 361 HG22 VAL 43 1HG2 VAL 43 2.701 -6.325 -6.413 362 HG23 VAL 43 2HG2 VAL 43 2.612 -7.973 -7.039 363 H VAL 44 H VAL 44 6.998 -4.331 -5.910 364 HA VAL 44 HA VAL 44 9.445 -5.675 -6.838 365 HB VAL 44 HB VAL 44 8.999 -4.052 -8.603 366 HG11 VAL 44 1HG1 VAL 44 8.784 -1.616 -8.211 367 HG12 VAL 44 2HG1 VAL 44 8.816 -1.894 -6.468 368 HG13 VAL 44 3HG1 VAL 44 7.477 -2.516 -7.435 369 HG21 VAL 44 3HG2 VAL 44 11.354 -4.304 -7.980 370 HG22 VAL 44 1HG2 VAL 44 11.216 -2.998 -6.799 371 HG23 VAL 44 2HG2 VAL 44 11.040 -2.659 -8.525 372 H GLU 45 H GLU 45 10.911 -5.757 -5.273 373 HA GLU 45 HA GLU 45 10.988 -3.747 -3.097 374 HB2 GLU 45 2HB GLU 45 9.839 -5.823 -2.257 375 HB3 GLU 45 3HB GLU 45 11.243 -6.773 -2.715 376 HG2 GLU 45 2HG GLU 45 12.637 -5.528 -1.094 377 HG3 GLU 45 3HG GLU 45 11.231 -4.579 -0.621 378 H ASN 46 H ASN 46 12.758 -6.644 -4.253 379 HA ASN 46 HA ASN 46 15.285 -5.098 -4.231 380 HB2 ASN 46 2HB ASN 46 16.473 -7.174 -3.553 381 HB3 ASN 46 3HB ASN 46 15.313 -6.648 -2.342 382 HD21 ASN 46 1HD2 ASN 46 16.532 -9.304 -2.926 383 HD22 ASN 46 2HD2 ASN 46 15.197 -10.390 -3.070 384 H THR 47 H THR 47 15.055 -4.601 -6.418 385 HA THR 47 HA THR 47 15.794 -6.793 -8.277 386 HB THR 47 HB THR 47 14.645 -5.453 -10.118 387 HG1 THR 47 HG1 THR 47 14.493 -3.533 -8.515 388 HG21 THR 47 3HG2 THR 47 12.821 -6.486 -7.908 389 HG22 THR 47 1HG2 THR 47 13.539 -7.449 -9.201 390 HG23 THR 47 2HG2 THR 47 12.342 -6.213 -9.583 391 H ALA 48 H ALA 48 17.952 -6.443 -8.469 392 HA ALA 48 HA ALA 48 19.257 -3.913 -8.575 393 HB1 ALA 48 3HB ALA 48 20.479 -5.983 -8.014 394 HB2 ALA 48 1HB ALA 48 21.209 -5.190 -9.405 395 HB3 ALA 48 2HB ALA 48 20.193 -6.617 -9.639 396 H ASN 49 H ASN 49 18.646 -6.312 -11.160 397 HA ASN 49 HA ASN 49 18.242 -4.106 -13.103 398 HB2 ASN 49 2HB ASN 49 19.369 -6.914 -13.574 399 HB3 ASN 49 3HB ASN 49 18.890 -5.826 -14.875 400 HD21 ASN 49 1HD2 ASN 49 20.888 -5.519 -15.781 401 HD22 ASN 49 2HD2 ASN 49 22.222 -4.775 -14.976 402 HA PRO 50 HA PRO 50 14.040 -5.780 -12.771 403 HB2 PRO 50 2HB PRO 50 13.340 -3.753 -14.848 404 HB3 PRO 50 3HB PRO 50 12.712 -3.948 -13.203 405 HG2 PRO 50 2HG PRO 50 14.386 -1.923 -13.816 406 HG3 PRO 50 3HG PRO 50 14.472 -2.749 -12.244 407 HD2 PRO 50 2HD PRO 50 16.214 -3.156 -14.689 408 HD3 PRO 50 3HD PRO 50 16.690 -2.979 -12.983 409 H HIS 51 H HIS 51 16.024 -5.873 -15.570 410 HA HIS 51 HA HIS 51 14.401 -7.049 -17.507 411 HB2 HIS 51 2HB HIS 51 16.703 -6.413 -18.022 412 HB3 HIS 51 3HB HIS 51 17.341 -7.548 -16.837 413 HD1 HIS 51 HD1 HIS 51 15.662 -7.492 -20.227 414 HD2 HIS 51 HD2 HIS 51 17.737 -10.140 -17.797 415 HE1 HIS 51 HE1 HIS 51 16.080 -9.514 -21.641 416 HE2 HIS 51 HE2 HIS 51 17.225 -11.150 -20.110 417 H PHE 52 H PHE 52 13.234 -8.853 -17.446 418 HA PHE 52 HA PHE 52 12.222 -10.747 -16.849 419 HB2 PHE 52 2HB PHE 52 14.297 -11.810 -17.740 420 HB3 PHE 52 3HB PHE 52 15.032 -11.723 -16.145 421 HD1 PHE 52 HD2 PHE 52 12.134 -13.219 -17.988 422 HD2 PHE 52 HD1 PHE 52 14.728 -13.530 -14.599 423 HE1 PHE 52 HE2 PHE 52 11.192 -15.425 -17.464 424 HE2 PHE 52 HE1 PHE 52 13.767 -15.730 -14.076 425 HZ PHE 52 HZ PHE 52 12.006 -16.679 -15.508 426 H VAL 53 H VAL 53 11.049 -9.766 -15.193 427 HA VAL 53 HA VAL 53 11.925 -9.898 -12.420 428 HB VAL 53 HB VAL 53 9.648 -9.068 -11.854 429 HG11 VAL 53 1HG1 VAL 53 11.364 -7.399 -12.430 430 HG12 VAL 53 2HG1 VAL 53 9.779 -6.855 -12.981 431 HG13 VAL 53 3HG1 VAL 53 10.934 -7.517 -14.140 432 HG21 VAL 53 3HG2 VAL 53 9.055 -9.233 -14.842 433 HG22 VAL 53 1HG2 VAL 53 7.999 -8.528 -13.614 434 HG23 VAL 53 2HG2 VAL 53 8.345 -10.259 -13.593 435 H ARG 54 H ARG 54 10.199 -10.905 -10.864 436 HA ARG 54 HA ARG 54 9.640 -13.687 -11.648 437 HB2 ARG 54 2HB ARG 54 9.242 -14.072 -9.258 438 HB3 ARG 54 3HB ARG 54 10.803 -13.306 -9.508 439 HG2 ARG 54 2HG ARG 54 9.843 -11.118 -8.826 440 HG3 ARG 54 3HG ARG 54 8.285 -11.902 -8.556 441 HD2 ARG 54 2HD ARG 54 9.488 -11.596 -6.430 442 HD3 ARG 54 3HD ARG 54 9.297 -13.317 -6.794 443 HE ARG 54 HE ARG 54 11.794 -11.974 -7.569 444 HH11 ARG 54 1HH1 ARG 54 10.240 -14.234 -5.378 445 HH12 ARG 54 2HH1 ARG 54 11.738 -14.921 -4.840 446 HH21 ARG 54 1HH2 ARG 54 13.737 -12.874 -6.847 447 HH22 ARG 54 2HH2 ARG 54 13.723 -14.133 -5.649 448 H ARG 55 H ARG 55 7.427 -14.440 -10.390 449 HA ARG 55 HA ARG 55 5.208 -13.127 -11.619 450 HB2 ARG 55 2HB ARG 55 5.286 -15.585 -11.010 451 HB3 ARG 55 3HB ARG 55 5.160 -15.137 -9.312 452 HG2 ARG 55 2HG ARG 55 2.945 -14.113 -9.759 453 HG3 ARG 55 3HG ARG 55 3.084 -14.582 -11.453 454 HD2 ARG 55 2HD ARG 55 3.114 -16.962 -10.802 455 HD3 ARG 55 3HD ARG 55 2.992 -16.499 -9.099 456 HE ARG 55 HE ARG 55 0.882 -15.379 -10.673 457 HH11 ARG 55 1HH1 ARG 55 1.838 -18.369 -9.061 458 HH12 ARG 55 2HH1 ARG 55 0.204 -18.920 -8.874 459 HH21 ARG 55 1HH2 ARG 55 -1.257 -16.137 -10.389 460 HH22 ARG 55 2HH2 ARG 55 -1.533 -17.664 -9.609 461 H ASN 56 H ASN 56 3.425 -12.007 -10.469 462 HA ASN 56 HA ASN 56 4.327 -10.129 -8.475 463 HB2 ASN 56 2HB ASN 56 1.607 -10.581 -9.782 464 HB3 ASN 56 3HB ASN 56 1.916 -9.295 -8.617 465 HD21 ASN 56 1HD2 ASN 56 1.144 -9.203 -11.477 466 HD22 ASN 56 2HD2 ASN 56 2.332 -8.194 -12.230 467 H ILE 57 H ILE 57 4.852 -12.153 -7.070 468 HA ILE 57 HA ILE 57 2.806 -13.338 -5.519 469 HB ILE 57 HB ILE 57 5.781 -13.042 -4.868 470 HG12 ILE 57 2HG1 ILE 57 5.457 -14.148 -7.073 471 HG13 ILE 57 3HG1 ILE 57 6.082 -15.284 -5.893 472 HG21 ILE 57 1HG2 ILE 57 5.477 -15.053 -3.445 473 HG22 ILE 57 2HG2 ILE 57 3.746 -15.026 -3.781 474 HG23 ILE 57 3HG2 ILE 57 4.489 -13.700 -2.887 475 HD11 ILE 57 3HD1 ILE 57 3.850 -16.262 -5.637 476 HD12 ILE 57 1HD1 ILE 57 4.400 -16.317 -7.315 477 HD13 ILE 57 2HD1 ILE 57 3.217 -15.109 -6.815 478 H ILE 58 H ILE 58 1.553 -11.481 -4.938 479 HA ILE 58 HA ILE 58 2.570 -9.546 -3.035 480 HB ILE 58 HB ILE 58 -0.346 -10.120 -3.766 481 HG12 ILE 58 2HG1 ILE 58 1.589 -8.122 -5.060 482 HG13 ILE 58 3HG1 ILE 58 0.965 -9.586 -5.811 483 HG21 ILE 58 1HG2 ILE 58 -0.751 -7.808 -2.954 484 HG22 ILE 58 2HG2 ILE 58 0.956 -7.649 -2.525 485 HG23 ILE 58 3HG2 ILE 58 -0.060 -8.821 -1.682 486 HD11 ILE 58 3HD1 ILE 58 -0.157 -7.608 -6.629 487 HD12 ILE 58 1HD1 ILE 58 -0.687 -7.202 -4.998 488 HD13 ILE 58 2HD1 ILE 58 -1.286 -8.664 -5.785 489 H THR 59 H THR 59 3.093 -10.364 -1.115 490 HA THR 59 HA THR 59 1.215 -12.007 0.451 491 HB THR 59 HB THR 59 3.356 -13.300 1.268 492 HG1 THR 59 HG1 THR 59 4.251 -12.220 -1.216 493 HG21 THR 59 3HG2 THR 59 1.569 -14.411 -0.033 494 HG22 THR 59 1HG2 THR 59 3.162 -15.013 -0.489 495 HG23 THR 59 2HG2 THR 59 2.319 -13.868 -1.534 496 H ARG 60 H ARG 60 2.021 -12.047 2.803 497 HA ARG 60 HA ARG 60 2.229 -9.397 3.731 498 HB2 ARG 60 2HB ARG 60 2.661 -12.026 5.190 499 HB3 ARG 60 3HB ARG 60 2.620 -10.457 5.997 500 HG2 ARG 60 2HG ARG 60 0.311 -10.106 5.246 501 HG3 ARG 60 3HG ARG 60 0.328 -11.656 4.398 502 HD2 ARG 60 2HD ARG 60 0.601 -11.239 7.396 503 HD3 ARG 60 3HD ARG 60 -0.814 -11.879 6.550 504 HE ARG 60 HE ARG 60 0.806 -13.712 5.799 505 HH11 ARG 60 1HH1 ARG 60 1.046 -12.171 8.951 506 HH12 ARG 60 2HH1 ARG 60 1.790 -13.546 9.694 507 HH21 ARG 60 1HH2 ARG 60 1.819 -15.485 6.786 508 HH22 ARG 60 2HH2 ARG 60 2.216 -15.423 8.468 509 H GLY 61 H GLY 61 3.882 -8.117 4.103 510 HA2 GLY 61 2HA GLY 61 6.048 -7.442 4.664 511 HA3 GLY 61 3HA GLY 61 6.636 -9.072 4.415 512 H ALA 62 H ALA 62 4.924 -8.669 1.710 513 HA ALA 62 HA ALA 62 7.197 -7.990 0.071 514 HB1 ALA 62 3HB ALA 62 5.680 -8.335 -1.844 515 HB2 ALA 62 1HB ALA 62 4.297 -8.408 -0.746 516 HB3 ALA 62 2HB ALA 62 5.540 -9.659 -0.680 517 H VAL 63 H VAL 63 7.293 -6.237 -1.470 518 HA VAL 63 HA VAL 63 5.772 -3.814 -0.665 519 HB VAL 63 HB VAL 63 8.449 -3.989 -2.138 520 HG11 VAL 63 1HG1 VAL 63 8.560 -1.530 -1.868 521 HG12 VAL 63 2HG1 VAL 63 6.922 -1.533 -1.200 522 HG13 VAL 63 3HG1 VAL 63 7.197 -2.024 -2.874 523 HG21 VAL 63 3HG2 VAL 63 7.856 -3.107 0.706 524 HG22 VAL 63 1HG2 VAL 63 9.431 -3.026 -0.089 525 HG23 VAL 63 2HG2 VAL 63 8.682 -4.592 0.224 526 H VAL 64 H VAL 64 4.259 -3.169 -2.014 527 HA VAL 64 HA VAL 64 4.400 -3.852 -4.892 528 HB VAL 64 HB VAL 64 1.997 -3.322 -5.032 529 HG11 VAL 64 1HG1 VAL 64 2.638 -5.648 -4.562 530 HG12 VAL 64 2HG1 VAL 64 1.104 -5.262 -3.787 531 HG13 VAL 64 3HG1 VAL 64 2.583 -5.335 -2.824 532 HG21 VAL 64 3HG2 VAL 64 0.627 -2.927 -3.002 533 HG22 VAL 64 1HG2 VAL 64 1.801 -1.633 -3.249 534 HG23 VAL 64 2HG2 VAL 64 2.091 -2.864 -2.020 535 H GLU 65 H GLU 65 4.232 -2.223 -6.390 536 HA GLU 65 HA GLU 65 4.880 0.505 -5.562 537 HB2 GLU 65 2HB GLU 65 6.335 -0.616 -7.235 538 HB3 GLU 65 3HB GLU 65 4.949 -0.846 -8.301 539 HG2 GLU 65 2HG GLU 65 4.724 1.572 -8.582 540 HG3 GLU 65 3HG GLU 65 6.053 1.863 -7.458 541 H THR 66 H THR 66 3.540 2.193 -5.985 542 HA THR 66 HA THR 66 1.062 1.885 -7.542 543 HB THR 66 HB THR 66 -0.206 3.165 -5.789 544 HG1 THR 66 HG1 THR 66 2.113 2.729 -4.158 545 HG21 THR 66 3HG2 THR 66 -0.525 1.382 -4.118 546 HG22 THR 66 1HG2 THR 66 0.965 0.597 -4.631 547 HG23 THR 66 2HG2 THR 66 -0.412 0.685 -5.734 548 H ASN 67 H ASN 67 0.079 4.278 -7.698 549 HA ASN 67 HA ASN 67 2.232 6.041 -8.582 550 HB2 ASN 67 2HB ASN 67 -0.799 6.291 -8.736 551 HB3 ASN 67 3HB ASN 67 0.302 7.526 -9.327 552 HD21 ASN 67 1HD2 ASN 67 -0.951 4.308 -9.901 553 HD22 ASN 67 2HD2 ASN 67 -0.323 4.141 -11.502 554 H LEU 68 H LEU 68 1.160 5.451 -5.569 555 HA LEU 68 HA LEU 68 1.460 8.250 -4.632 556 HB2 LEU 68 2HB LEU 68 0.619 5.773 -3.080 557 HB3 LEU 68 3HB LEU 68 0.691 7.409 -2.444 558 HG LEU 68 HG LEU 68 -1.275 6.334 -4.507 559 HD11 LEU 68 1HD1 LEU 68 -2.991 6.872 -2.837 560 HD12 LEU 68 2HD1 LEU 68 -1.755 7.444 -1.716 561 HD13 LEU 68 3HD1 LEU 68 -1.811 5.739 -2.171 562 HD21 LEU 68 3HD2 LEU 68 -0.967 9.205 -3.558 563 HD22 LEU 68 1HD2 LEU 68 -2.306 8.589 -4.530 564 HD23 LEU 68 2HD2 LEU 68 -0.674 8.605 -5.193 565 H GLY 69 H GLY 69 3.177 5.365 -5.109 566 HA2 GLY 69 2HA GLY 69 5.670 5.712 -4.669 567 HA3 GLY 69 3HA GLY 69 5.183 5.908 -2.981 568 H ASN 70 H ASN 70 6.276 4.064 -2.265 569 HA ASN 70 HA ASN 70 5.363 1.421 -3.281 570 HB2 ASN 70 2HB ASN 70 7.817 2.243 -1.667 571 HB3 ASN 70 3HB ASN 70 7.312 0.565 -1.809 572 HD21 ASN 70 1HD2 ASN 70 6.455 0.750 -4.593 573 HD22 ASN 70 2HD2 ASN 70 7.894 0.901 -5.529 574 H VAL 71 H VAL 71 4.432 -0.065 -1.836 575 HA VAL 71 HA VAL 71 3.589 0.957 0.812 576 HB VAL 71 HB VAL 71 1.857 -0.704 -1.095 577 HG11 VAL 71 1HG1 VAL 71 1.088 0.866 1.385 578 HG12 VAL 71 2HG1 VAL 71 1.208 -0.890 1.253 579 HG13 VAL 71 3HG1 VAL 71 -0.021 -0.022 0.334 580 HG21 VAL 71 3HG2 VAL 71 0.595 1.333 -1.656 581 HG22 VAL 71 1HG2 VAL 71 2.277 1.459 -2.172 582 HG23 VAL 71 2HG2 VAL 71 1.734 2.309 -0.725 583 H ARG 72 H ARG 72 3.615 -0.580 2.475 584 HA ARG 72 HA ARG 72 4.749 -3.230 2.010 585 HB2 ARG 72 2HB ARG 72 3.888 -1.737 4.519 586 HB3 ARG 72 3HB ARG 72 4.149 -3.474 4.588 587 HG2 ARG 72 2HG ARG 72 6.208 -1.380 3.875 588 HG3 ARG 72 3HG ARG 72 6.098 -2.274 5.386 589 HD2 ARG 72 2HD ARG 72 6.592 -4.368 4.227 590 HD3 ARG 72 3HD ARG 72 6.608 -3.537 2.664 591 HE ARG 72 HE ARG 72 8.448 -2.283 4.392 592 HH11 ARG 72 1HH1 ARG 72 8.162 -5.320 2.627 593 HH12 ARG 72 2HH1 ARG 72 9.868 -5.492 2.413 594 HH21 ARG 72 1HH2 ARG 72 10.695 -2.538 4.105 595 HH22 ARG 72 2HH2 ARG 72 11.299 -3.918 3.254 596 H VAL 73 H VAL 73 3.575 -5.094 1.926 597 HA VAL 73 HA VAL 73 0.669 -5.042 2.082 598 HB VAL 73 HB VAL 73 2.596 -7.381 1.625 599 HG11 VAL 73 1HG1 VAL 73 -0.411 -7.255 1.226 600 HG12 VAL 73 2HG1 VAL 73 0.437 -8.175 2.467 601 HG13 VAL 73 3HG1 VAL 73 0.622 -8.610 0.768 602 HG21 VAL 73 3HG2 VAL 73 2.008 -7.174 -0.771 603 HG22 VAL 73 1HG2 VAL 73 2.771 -5.704 -0.165 604 HG23 VAL 73 2HG2 VAL 73 1.025 -5.750 -0.417 605 H THR 74 H THR 74 -0.146 -4.946 4.116 606 HA THR 74 HA THR 74 1.409 -6.029 6.395 607 HB THR 74 HB THR 74 0.039 -4.466 7.791 608 HG1 THR 74 HG1 THR 74 -1.832 -4.154 6.701 609 HG21 THR 74 3HG2 THR 74 2.200 -3.669 6.863 610 HG22 THR 74 1HG2 THR 74 1.025 -2.352 6.979 611 HG23 THR 74 2HG2 THR 74 1.370 -3.092 5.415 612 H SER 75 H SER 75 -1.459 -6.459 4.567 613 HA SER 75 HA SER 75 -2.519 -8.451 6.494 614 HB2 SER 75 2HB SER 75 -4.734 -8.017 5.381 615 HB3 SER 75 3HB SER 75 -4.080 -6.585 6.188 616 HG SER 75 HG SER 75 -3.307 -5.904 4.139 617 H ARG 76 H ARG 76 -3.995 -10.065 5.084 618 HA ARG 76 HA ARG 76 -2.167 -11.464 3.342 619 HB2 ARG 76 2HB ARG 76 -3.771 -13.280 3.385 620 HB3 ARG 76 3HB ARG 76 -3.613 -12.643 5.015 621 HG2 ARG 76 2HG ARG 76 -5.758 -11.461 4.792 622 HG3 ARG 76 3HG ARG 76 -5.918 -12.038 3.127 623 HD2 ARG 76 2HD ARG 76 -7.279 -13.403 4.641 624 HD3 ARG 76 3HD ARG 76 -5.973 -14.373 3.954 625 HE ARG 76 HE ARG 76 -5.610 -13.155 6.610 626 HH11 ARG 76 1HH1 ARG 76 -6.054 -16.112 4.735 627 HH12 ARG 76 2HH1 ARG 76 -5.600 -17.155 6.046 628 HH21 ARG 76 1HH2 ARG 76 -5.024 -14.546 8.295 629 HH22 ARG 76 2HH2 ARG 76 -4.995 -16.264 8.061 630 HA PRO 77 HA PRO 77 -3.744 -9.942 -0.562 631 HB2 PRO 77 2HB PRO 77 -3.061 -11.903 -2.284 632 HB3 PRO 77 3HB PRO 77 -1.834 -10.953 -1.433 633 HG2 PRO 77 2HG PRO 77 -2.927 -13.687 -0.727 634 HG3 PRO 77 3HG PRO 77 -1.233 -13.156 -0.840 635 HD2 PRO 77 2HD PRO 77 -2.553 -13.285 1.540 636 HD3 PRO 77 3HD PRO 77 -1.295 -12.072 1.223 637 H GLY 78 H GLY 78 -5.618 -11.903 1.122 638 HA2 GLY 78 2HA GLY 78 -7.715 -12.074 -0.908 639 HA3 GLY 78 3HA GLY 78 -7.177 -13.594 -0.203 640 H GLN 79 H GLN 79 -7.863 -10.347 1.047 641 HA GLN 79 HA GLN 79 -9.962 -11.475 2.838 642 HB2 GLN 79 2HB GLN 79 -9.509 -9.486 4.312 643 HB3 GLN 79 3HB GLN 79 -8.191 -10.637 4.246 644 HG2 GLN 79 2HG GLN 79 -6.852 -9.197 2.871 645 HG3 GLN 79 3HG GLN 79 -8.220 -8.128 2.567 646 HE21 GLN 79 1HE2 GLN 79 -7.133 -6.319 3.298 647 HE22 GLN 79 2HE2 GLN 79 -6.778 -6.054 4.968 648 H ASP 80 H ASP 80 -11.895 -10.998 2.011 649 HA ASP 80 HA ASP 80 -13.599 -10.127 0.799 650 HB2 ASP 80 2HB ASP 80 -13.339 -8.093 2.190 651 HB3 ASP 80 3HB ASP 80 -12.075 -7.501 1.126 652 H GLY 81 H GLY 81 -10.600 -10.579 -0.387 653 HA2 GLY 81 2HA GLY 81 -10.006 -11.144 -2.559 654 HA3 GLY 81 3HA GLY 81 -11.321 -10.162 -3.187 655 H VAL 82 H VAL 82 -9.618 -8.527 -0.773 656 HA VAL 82 HA VAL 82 -7.961 -7.070 -2.750 657 HB VAL 82 HB VAL 82 -10.110 -5.856 -2.234 658 HG11 VAL 82 1HG1 VAL 82 -9.006 -5.563 0.571 659 HG12 VAL 82 2HG1 VAL 82 -10.411 -6.516 0.106 660 HG13 VAL 82 3HG1 VAL 82 -10.446 -4.761 -0.062 661 HG21 VAL 82 3HG2 VAL 82 -8.183 -4.567 -3.007 662 HG22 VAL 82 1HG2 VAL 82 -7.593 -4.388 -1.354 663 HG23 VAL 82 2HG2 VAL 82 -9.107 -3.625 -1.843 664 H ILE 83 H ILE 83 -6.249 -5.715 -1.731 665 HA ILE 83 HA ILE 83 -5.036 -6.978 0.658 666 HB ILE 83 HB ILE 83 -3.651 -5.367 -1.567 667 HG12 ILE 83 2HG1 ILE 83 -2.525 -7.660 -2.071 668 HG13 ILE 83 3HG1 ILE 83 -3.833 -8.374 -1.150 669 HG21 ILE 83 1HG2 ILE 83 -2.467 -5.170 0.570 670 HG22 ILE 83 2HG2 ILE 83 -1.525 -6.158 -0.546 671 HG23 ILE 83 3HG2 ILE 83 -2.447 -6.925 0.748 672 HD11 ILE 83 3HD1 ILE 83 -4.135 -6.740 -3.654 673 HD12 ILE 83 1HD1 ILE 83 -5.449 -7.506 -2.759 674 HD13 ILE 83 2HD1 ILE 83 -4.215 -8.497 -3.542 675 H ASN 84 H ASN 84 -4.355 -5.593 2.360 676 HA ASN 84 HA ASN 84 -4.695 -2.648 2.034 677 HB2 ASN 84 2HB ASN 84 -4.993 -4.312 4.582 678 HB3 ASN 84 3HB ASN 84 -4.964 -2.551 4.543 679 HD21 ASN 84 1HD2 ASN 84 -7.006 -2.292 5.369 680 HD22 ASN 84 2HD2 ASN 84 -8.448 -2.730 4.526 681 H GLY 85 H GLY 85 -3.107 -1.332 3.214 682 HA2 GLY 85 2HA GLY 85 -0.676 -2.503 4.198 683 HA3 GLY 85 3HA GLY 85 -0.510 -1.923 2.544 684 H VAL 86 H VAL 86 1.195 -0.699 3.888 685 HA VAL 86 HA VAL 86 0.077 1.958 4.627 686 HB VAL 86 HB VAL 86 1.893 2.229 6.380 687 HG11 VAL 86 1HG1 VAL 86 -0.418 1.769 7.050 688 HG12 VAL 86 2HG1 VAL 86 0.719 1.008 8.165 689 HG13 VAL 86 3HG1 VAL 86 -0.125 0.032 6.956 690 HG21 VAL 86 3HG2 VAL 86 2.952 0.200 7.331 691 HG22 VAL 86 1HG2 VAL 86 3.431 0.455 5.652 692 HG23 VAL 86 2HG2 VAL 86 2.235 -0.779 6.052 693 H LEU 87 H LEU 87 1.288 3.747 3.973 694 HA LEU 87 HA LEU 87 2.845 3.265 1.610 695 HB2 LEU 87 2HB LEU 87 1.171 5.114 1.833 696 HB3 LEU 87 3HB LEU 87 2.246 5.917 2.969 697 HG LEU 87 HG LEU 87 3.975 6.106 1.143 698 HD11 LEU 87 1HD1 LEU 87 3.315 4.208 -0.261 699 HD12 LEU 87 2HD1 LEU 87 3.332 5.694 -1.206 700 HD13 LEU 87 3HD1 LEU 87 1.798 5.011 -0.668 701 HD21 LEU 87 3HD2 LEU 87 1.277 7.335 0.491 702 HD22 LEU 87 1HD2 LEU 87 2.832 7.883 -0.147 703 HD23 LEU 87 2HD2 LEU 87 2.495 8.004 1.579 704 H ILE 88 H ILE 88 4.904 2.776 1.677 705 HA ILE 88 HA ILE 88 6.803 3.978 3.625 706 HB ILE 88 HB ILE 88 8.259 2.020 3.146 707 HG12 ILE 88 2HG1 ILE 88 6.015 1.243 1.232 708 HG13 ILE 88 3HG1 ILE 88 7.702 1.520 0.833 709 HG21 ILE 88 1HG2 ILE 88 5.444 1.153 3.917 710 HG22 ILE 88 2HG2 ILE 88 6.637 1.853 5.008 711 HG23 ILE 88 3HG2 ILE 88 6.935 0.279 4.276 712 HD11 ILE 88 3HD1 ILE 88 6.483 -0.832 2.232 713 HD12 ILE 88 1HD1 ILE 88 8.225 -0.549 2.186 714 HD13 ILE 88 2HD1 ILE 88 7.322 -0.784 0.690 715 H ARG 89 H ARG 89 9.164 3.846 2.530 716 HA ARG 89 HA ARG 89 9.104 5.016 -0.199 717 HB2 ARG 89 2HB ARG 89 10.759 6.160 2.111 718 HB3 ARG 89 3HB ARG 89 10.683 6.782 0.475 719 HG2 ARG 89 2HG ARG 89 8.459 6.878 2.535 720 HG3 ARG 89 3HG ARG 89 9.455 8.230 1.992 721 HD2 ARG 89 2HD ARG 89 8.500 7.987 -0.287 722 HD3 ARG 89 3HD ARG 89 7.497 6.652 0.284 723 HE ARG 89 HE ARG 89 6.938 9.414 0.490 724 HH11 ARG 89 1HH1 ARG 89 6.567 6.491 2.453 725 HH12 ARG 89 2HH1 ARG 89 5.167 7.086 3.277 726 HH21 ARG 89 1HH2 ARG 89 5.092 10.134 1.559 727 HH22 ARG 89 2HH2 ARG 89 4.340 9.168 2.790 728 H GLU 90 H GLU 90 9.723 2.494 -0.251 729 HA GLU 90 HA GLU 90 12.406 1.751 0.445 730 HB2 GLU 90 2HB GLU 90 10.574 0.498 -1.648 731 HB3 GLU 90 3HB GLU 90 12.054 -0.229 -1.029 732 HG2 GLU 90 2HG GLU 90 9.498 0.290 0.481 733 HG3 GLU 90 3HG GLU 90 10.148 -1.272 0.005 734 H LEU 91 H LEU 91 10.953 2.134 -2.751 735 HA LEU 91 HA LEU 91 13.445 3.299 -3.830 736 HB2 LEU 91 2HB LEU 91 10.994 2.237 -5.302 737 HB3 LEU 91 3HB LEU 91 12.486 2.787 -6.042 738 HG LEU 91 HG LEU 91 12.247 0.316 -4.273 739 HD11 LEU 91 1HD1 LEU 91 12.499 -0.992 -6.333 740 HD12 LEU 91 2HD1 LEU 91 12.487 0.490 -7.292 741 HD13 LEU 91 3HD1 LEU 91 11.045 0.007 -6.395 742 HD21 LEU 91 3HD2 LEU 91 14.577 1.333 -5.931 743 HD22 LEU 91 1HD2 LEU 91 14.523 -0.197 -5.049 744 HD23 LEU 91 2HD2 LEU 91 14.481 1.327 -4.166 745 H GLU 92 H GLU 92 13.417 5.457 -4.216 746 HA GLU 92 HA GLU 92 11.290 7.109 -3.369 747 HB2 GLU 92 2HB GLU 92 13.714 7.684 -3.309 748 HB3 GLU 92 3HB GLU 92 13.706 7.849 -5.059 749 HG2 GLU 92 2HG GLU 92 12.052 9.716 -4.844 750 HG3 GLU 92 3HG GLU 92 12.138 9.556 -3.091 751 H HIS 93 H HIS 93 9.424 6.637 -4.505 752 HA HIS 93 HA HIS 93 9.292 7.500 -7.342 753 HB2 HIS 93 2HB HIS 93 7.773 5.249 -5.944 754 HB3 HIS 93 3HB HIS 93 7.172 5.995 -7.422 755 HD1 HIS 93 HD1 HIS 93 8.014 5.039 -9.571 756 HD2 HIS 93 HD2 HIS 93 10.408 3.981 -6.360 757 HE1 HIS 93 HE1 HIS 93 9.720 3.462 -10.492 758 HE2 HIS 93 HE2 HIS 93 11.241 2.953 -8.561 759 H HIS 94 H HIS 94 9.000 9.614 -6.638 760 HA HIS 94 HA HIS 94 6.203 10.304 -6.444 761 HB2 HIS 94 2HB HIS 94 6.176 11.537 -4.413 762 HB3 HIS 94 3HB HIS 94 7.052 10.077 -3.976 763 HD1 HIS 94 HD1 HIS 94 7.330 13.747 -4.129 764 HD2 HIS 94 HD2 HIS 94 9.899 10.518 -3.608 765 HE1 HIS 94 HE1 HIS 94 9.478 14.720 -3.273 766 HE2 HIS 94 HE2 HIS 94 11.008 12.756 -2.974 767 H HIS 95 H HIS 95 5.929 12.700 -6.691 768 HA HIS 95 HA HIS 95 8.106 13.805 -8.393 769 HB2 HIS 95 2HB HIS 95 5.111 14.370 -8.508 770 HB3 HIS 95 3HB HIS 95 6.330 15.014 -9.610 771 HD1 HIS 95 HD1 HIS 95 3.830 12.546 -9.608 772 HD2 HIS 95 HD2 HIS 95 7.804 12.523 -10.807 773 HE1 HIS 95 HE1 HIS 95 4.055 10.603 -11.162 774 HE2 HIS 95 HE2 HIS 95 6.502 10.491 -11.703 775 H HIS 96 H HIS 96 8.147 16.214 -8.453 776 HA HIS 96 HA HIS 96 8.147 17.456 -5.860 777 HB2 HIS 96 2HB HIS 96 8.305 18.790 -8.605 778 HB3 HIS 96 3HB HIS 96 8.785 19.501 -7.066 779 HD1 HIS 96 HD1 HIS 96 9.943 17.137 -9.727 780 HD2 HIS 96 HD2 HIS 96 11.316 18.659 -6.103 781 HE1 HIS 96 HE1 HIS 96 12.371 16.517 -9.609 782 HE2 HIS 96 HE2 HIS 96 13.201 17.535 -7.467 783 H HIS 97 H HIS 97 6.616 18.953 -5.042 784 HA HIS 97 HA HIS 97 3.910 18.609 -5.916 785 HB2 HIS 97 2HB HIS 97 3.256 19.860 -4.024 786 HB3 HIS 97 3HB HIS 97 4.767 19.138 -3.494 787 HD1 HIS 97 HD1 HIS 97 3.245 22.434 -4.497 788 HD2 HIS 97 HD2 HIS 97 6.813 20.996 -2.932 789 HE1 HIS 97 HE1 HIS 97 4.526 24.459 -3.765 790 HE2 HIS 97 HE2 HIS 97 6.607 23.552 -2.689 791 H HIS 98 H HIS 98 2.461 20.260 -6.754 792 HA HIS 98 HA HIS 98 3.773 22.631 -7.985 793 HB2 HIS 98 2HB HIS 98 2.971 20.941 -9.682 794 HB3 HIS 98 3HB HIS 98 1.332 21.153 -9.075 795 HD1 HIS 98 HD1 HIS 98 -0.004 22.919 -10.287 796 HD2 HIS 98 HD2 HIS 98 4.082 23.514 -10.715 797 HE1 HIS 98 HE1 HIS 98 0.239 24.885 -11.821 798 HE2 HIS 98 HE2 HIS 98 2.705 25.352 -11.879 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -46.369 3.655 30.799 2 H2 GLY 1 2H GLY 1 -44.795 3.129 31.123 3 H3 GLY 1 3H GLY 1 -45.877 2.113 30.319 4 HA2 GLY 1 2HA GLY 1 -45.941 3.591 28.428 5 HA3 GLY 1 3HA GLY 1 -44.832 4.679 29.255 6 H ASP 2 H ASP 2 -44.671 3.020 26.712 7 HA ASP 2 HA ASP 2 -41.948 1.977 27.131 8 HB2 ASP 2 2HB ASP 2 -42.486 -0.039 25.704 9 HB3 ASP 2 3HB ASP 2 -43.263 -0.039 27.279 10 H ARG 3 H ARG 3 -41.048 1.310 24.837 11 HA ARG 3 HA ARG 3 -41.569 3.610 23.037 12 HB2 ARG 3 2HB ARG 3 -38.872 2.261 23.555 13 HB3 ARG 3 3HB ARG 3 -39.162 3.587 22.434 14 HG2 ARG 3 2HG ARG 3 -38.197 4.631 24.300 15 HG3 ARG 3 3HG ARG 3 -39.921 4.939 24.510 16 HD2 ARG 3 2HD ARG 3 -39.988 2.950 26.076 17 HD3 ARG 3 3HD ARG 3 -38.229 2.870 25.958 18 HE ARG 3 HE ARG 3 -38.340 5.288 26.792 19 HH11 ARG 3 1HH1 ARG 3 -40.607 2.806 27.815 20 HH12 ARG 3 2HH1 ARG 3 -40.965 3.578 29.320 21 HH21 ARG 3 1HH2 ARG 3 -38.821 6.276 28.802 22 HH22 ARG 3 2HH2 ARG 3 -39.952 5.528 29.880 23 H ARG 4 H ARG 4 -42.980 2.439 21.689 24 HA ARG 4 HA ARG 4 -41.875 0.165 20.181 25 HB2 ARG 4 2HB ARG 4 -44.669 1.354 20.280 26 HB3 ARG 4 3HB ARG 4 -44.198 0.068 19.168 27 HG2 ARG 4 2HG ARG 4 -43.755 -1.439 21.019 28 HG3 ARG 4 3HG ARG 4 -44.062 -0.151 22.187 29 HD2 ARG 4 2HD ARG 4 -46.104 -1.288 20.247 30 HD3 ARG 4 3HD ARG 4 -45.990 -1.694 21.962 31 HE ARG 4 HE ARG 4 -46.428 0.737 22.392 32 HH11 ARG 4 1HH1 ARG 4 -47.559 -0.680 19.375 33 HH12 ARG 4 2HH1 ARG 4 -48.925 0.381 19.248 34 HH21 ARG 4 1HH2 ARG 4 -48.225 2.140 22.201 35 HH22 ARG 4 2HH2 ARG 4 -49.309 1.968 20.860 36 H VAL 5 H VAL 5 -40.410 1.141 18.842 37 HA VAL 5 HA VAL 5 -41.570 2.725 16.637 38 HB VAL 5 HB VAL 5 -39.866 4.077 17.737 39 HG11 VAL 5 1HG1 VAL 5 -38.562 2.349 18.873 40 HG12 VAL 5 2HG1 VAL 5 -37.502 3.410 17.947 41 HG13 VAL 5 3HG1 VAL 5 -37.897 1.804 17.330 42 HG21 VAL 5 3HG2 VAL 5 -38.341 4.535 15.852 43 HG22 VAL 5 1HG2 VAL 5 -39.997 4.276 15.294 44 HG23 VAL 5 2HG2 VAL 5 -38.791 2.999 15.106 45 H ARG 6 H ARG 6 -41.976 1.392 15.010 46 HA ARG 6 HA ARG 6 -40.726 -1.266 14.900 47 HB2 ARG 6 2HB ARG 6 -43.262 -0.862 14.869 48 HB3 ARG 6 3HB ARG 6 -43.065 -0.200 13.252 49 HG2 ARG 6 2HG ARG 6 -43.783 -2.465 13.001 50 HG3 ARG 6 3HG ARG 6 -42.079 -2.424 12.546 51 HD2 ARG 6 2HD ARG 6 -41.503 -3.266 14.834 52 HD3 ARG 6 3HD ARG 6 -43.231 -3.395 15.186 53 HE ARG 6 HE ARG 6 -42.771 -4.812 12.845 54 HH11 ARG 6 1HH1 ARG 6 -41.814 -5.061 16.219 55 HH12 ARG 6 2HH1 ARG 6 -41.590 -6.778 16.153 56 HH21 ARG 6 1HH2 ARG 6 -42.485 -7.080 12.788 57 HH22 ARG 6 2HH2 ARG 6 -41.977 -7.924 14.218 58 H LEU 7 H LEU 7 -38.700 -0.965 13.919 59 HA LEU 7 HA LEU 7 -38.494 0.560 11.425 60 HB2 LEU 7 2HB LEU 7 -36.306 -0.905 12.957 61 HB3 LEU 7 3HB LEU 7 -36.054 0.072 11.524 62 HG LEU 7 HG LEU 7 -35.370 1.510 13.234 63 HD11 LEU 7 1HD1 LEU 7 -36.982 2.661 11.785 64 HD12 LEU 7 2HD1 LEU 7 -36.975 3.331 13.414 65 HD13 LEU 7 3HD1 LEU 7 -38.289 2.266 12.902 66 HD21 LEU 7 3HD2 LEU 7 -36.035 0.150 15.148 67 HD22 LEU 7 1HD2 LEU 7 -37.716 0.641 14.949 68 HD23 LEU 7 2HD2 LEU 7 -36.494 1.834 15.404 69 H ILE 8 H ILE 8 -39.717 -0.692 10.039 70 HA ILE 8 HA ILE 8 -38.869 -3.406 9.337 71 HB ILE 8 HB ILE 8 -41.112 -1.644 8.231 72 HG12 ILE 8 2HG1 ILE 8 -41.258 -3.991 10.187 73 HG13 ILE 8 3HG1 ILE 8 -41.454 -2.298 10.614 74 HG21 ILE 8 1HG2 ILE 8 -40.549 -4.589 7.718 75 HG22 ILE 8 2HG2 ILE 8 -40.387 -3.274 6.550 76 HG23 ILE 8 3HG2 ILE 8 -41.980 -3.708 7.169 77 HD11 ILE 8 3HD1 ILE 8 -43.583 -3.442 10.511 78 HD12 ILE 8 1HD1 ILE 8 -43.293 -3.886 8.830 79 HD13 ILE 8 2HD1 ILE 8 -43.489 -2.189 9.273 80 H ARG 9 H ARG 9 -37.554 -3.820 7.613 81 HA ARG 9 HA ARG 9 -37.139 -1.881 5.480 82 HB2 ARG 9 2HB ARG 9 -34.575 -2.051 5.823 83 HB3 ARG 9 3HB ARG 9 -35.474 -1.001 6.896 84 HG2 ARG 9 2HG ARG 9 -33.856 -2.089 8.237 85 HG3 ARG 9 3HG ARG 9 -35.395 -2.848 8.636 86 HD2 ARG 9 2HD ARG 9 -34.803 -4.776 7.209 87 HD3 ARG 9 3HD ARG 9 -33.279 -3.990 6.784 88 HE ARG 9 HE ARG 9 -33.183 -4.086 9.494 89 HH11 ARG 9 1HH1 ARG 9 -33.787 -6.592 7.113 90 HH12 ARG 9 2HH1 ARG 9 -33.030 -7.837 8.049 91 HH21 ARG 9 1HH2 ARG 9 -32.151 -5.755 10.697 92 HH22 ARG 9 2HH2 ARG 9 -32.108 -7.367 10.066 93 H THR 10 H THR 10 -36.079 -2.720 3.632 94 HA THR 10 HA THR 10 -35.647 -5.652 3.518 95 HB THR 10 HB THR 10 -36.471 -5.531 1.102 96 HG1 THR 10 HG1 THR 10 -37.316 -3.718 0.354 97 HG21 THR 10 3HG2 THR 10 -37.931 -6.505 2.839 98 HG22 THR 10 1HG2 THR 10 -38.882 -5.609 1.652 99 HG23 THR 10 2HG2 THR 10 -38.551 -4.899 3.233 100 H ARG 11 H ARG 11 -33.506 -5.815 3.396 101 HA ARG 11 HA ARG 11 -31.913 -3.939 1.744 102 HB2 ARG 11 2HB ARG 11 -31.031 -5.756 4.026 103 HB3 ARG 11 3HB ARG 11 -29.972 -4.681 3.125 104 HG2 ARG 11 2HG ARG 11 -32.303 -3.773 4.844 105 HG3 ARG 11 3HG ARG 11 -30.623 -3.819 5.369 106 HD2 ARG 11 2HD ARG 11 -31.103 -1.560 4.783 107 HD3 ARG 11 3HD ARG 11 -30.085 -2.207 3.497 108 HE ARG 11 HE ARG 11 -33.013 -2.149 3.162 109 HH11 ARG 11 1HH1 ARG 11 -29.869 -0.919 2.132 110 HH12 ARG 11 2HH1 ARG 11 -30.496 -0.222 0.674 111 HH21 ARG 11 1HH2 ARG 11 -33.802 -1.225 1.259 112 HH22 ARG 11 2HH2 ARG 11 -32.733 -0.374 0.194 113 H GLY 12 H GLY 12 -30.290 -4.750 0.378 114 HA2 GLY 12 2HA GLY 12 -30.412 -7.630 -0.345 115 HA3 GLY 12 3HA GLY 12 -30.584 -6.376 -1.569 116 H GLY 13 H GLY 13 -28.446 -7.170 1.149 117 HA2 GLY 13 2HA GLY 13 -26.131 -5.873 0.168 118 HA3 GLY 13 3HA GLY 13 -26.183 -7.076 1.442 119 H ASN 14 H ASN 14 -25.897 -6.579 -2.014 120 HA ASN 14 HA ASN 14 -25.348 -9.295 -2.752 121 HB2 ASN 14 2HB ASN 14 -26.201 -7.638 -4.382 122 HB3 ASN 14 3HB ASN 14 -24.742 -6.676 -4.197 123 HD21 ASN 14 1HD2 ASN 14 -26.109 -9.562 -5.616 124 HD22 ASN 14 2HD2 ASN 14 -24.768 -9.932 -6.640 125 H THR 15 H THR 15 -23.552 -10.356 -2.175 126 HA THR 15 HA THR 15 -21.191 -9.086 -1.179 127 HB THR 15 HB THR 15 -20.260 -11.462 -1.142 128 HG1 THR 15 HG1 THR 15 -21.311 -12.612 -2.654 129 HG21 THR 15 3HG2 THR 15 -22.987 -11.081 0.155 130 HG22 THR 15 1HG2 THR 15 -21.443 -10.567 0.834 131 HG23 THR 15 2HG2 THR 15 -21.789 -12.286 0.632 132 H LYS 16 H LYS 16 -20.351 -7.785 -2.759 133 HA LYS 16 HA LYS 16 -19.814 -8.816 -5.443 134 HB2 LYS 16 2HB LYS 16 -19.286 -6.367 -5.941 135 HB3 LYS 16 3HB LYS 16 -20.947 -6.757 -5.540 136 HG2 LYS 16 2HG LYS 16 -20.518 -4.710 -4.426 137 HG3 LYS 16 3HG LYS 16 -20.452 -5.939 -3.171 138 HD2 LYS 16 2HD LYS 16 -18.679 -4.222 -2.910 139 HD3 LYS 16 3HD LYS 16 -18.000 -5.833 -3.151 140 HE2 LYS 16 2HE LYS 16 -16.789 -4.080 -4.436 141 HE3 LYS 16 3HE LYS 16 -17.500 -5.307 -5.483 142 HZ1 LYS 16 3HZ LYS 16 -19.334 -3.776 -5.934 143 HZ2 LYS 16 1HZ LYS 16 -17.842 -3.106 -6.370 144 HZ3 LYS 16 2HZ LYS 16 -18.610 -2.603 -4.948 145 H VAL 17 H VAL 17 -17.810 -8.548 -6.496 146 HA VAL 17 HA VAL 17 -15.528 -9.174 -4.791 147 HB VAL 17 HB VAL 17 -15.732 -9.061 -7.843 148 HG11 VAL 17 1HG1 VAL 17 -13.697 -10.475 -7.844 149 HG12 VAL 17 2HG1 VAL 17 -13.595 -10.320 -6.088 150 HG13 VAL 17 3HG1 VAL 17 -13.405 -8.896 -7.112 151 HG21 VAL 17 3HG2 VAL 17 -16.005 -11.452 -5.972 152 HG22 VAL 17 1HG2 VAL 17 -15.965 -11.537 -7.738 153 HG23 VAL 17 2HG2 VAL 17 -17.298 -10.714 -6.925 154 H ARG 18 H ARG 18 -13.785 -7.868 -4.449 155 HA ARG 18 HA ARG 18 -14.233 -5.033 -4.635 156 HB2 ARG 18 2HB ARG 18 -11.919 -6.645 -3.468 157 HB3 ARG 18 3HB ARG 18 -11.994 -4.892 -3.409 158 HG2 ARG 18 2HG ARG 18 -12.636 -5.774 -1.274 159 HG3 ARG 18 3HG ARG 18 -14.063 -5.051 -2.019 160 HD2 ARG 18 2HD ARG 18 -15.005 -7.206 -2.493 161 HD3 ARG 18 3HD ARG 18 -13.482 -8.030 -2.143 162 HE ARG 18 HE ARG 18 -13.794 -7.325 0.205 163 HH11 ARG 18 1HH1 ARG 18 -16.690 -7.475 -1.787 164 HH12 ARG 18 2HH1 ARG 18 -17.722 -7.825 -0.441 165 HH21 ARG 18 1HH2 ARG 18 -15.149 -7.808 1.938 166 HH22 ARG 18 2HH2 ARG 18 -16.849 -8.033 1.662 167 H LEU 19 H LEU 19 -12.121 -7.344 -6.241 168 HA LEU 19 HA LEU 19 -11.331 -5.377 -8.239 169 HB2 LEU 19 2HB LEU 19 -8.948 -5.655 -8.016 170 HB3 LEU 19 3HB LEU 19 -9.572 -5.133 -6.465 171 HG LEU 19 HG LEU 19 -8.798 -8.009 -7.122 172 HD11 LEU 19 1HD1 LEU 19 -7.213 -5.946 -5.566 173 HD12 LEU 19 2HD1 LEU 19 -6.823 -6.577 -7.169 174 HD13 LEU 19 3HD1 LEU 19 -6.787 -7.651 -5.774 175 HD21 LEU 19 3HD2 LEU 19 -10.461 -7.887 -5.329 176 HD22 LEU 19 1HD2 LEU 19 -9.446 -6.746 -4.441 177 HD23 LEU 19 2HD2 LEU 19 -8.899 -8.406 -4.702 178 H ALA 20 H ALA 20 -10.474 -6.346 -10.164 179 HA ALA 20 HA ALA 20 -10.310 -9.270 -10.377 180 HB1 ALA 20 3HB ALA 20 -11.909 -9.391 -12.267 181 HB2 ALA 20 1HB ALA 20 -12.296 -7.680 -12.050 182 HB3 ALA 20 2HB ALA 20 -12.704 -8.844 -10.789 183 H SER 21 H SER 21 -10.110 -6.103 -11.917 184 HA SER 21 HA SER 21 -8.090 -6.913 -13.855 185 HB2 SER 21 2HB SER 21 -9.230 -4.163 -13.167 186 HB3 SER 21 3HB SER 21 -8.206 -4.540 -14.556 187 HG SER 21 HG SER 21 -9.838 -5.545 -15.521 188 H ASP 22 H ASP 22 -6.379 -4.707 -13.791 189 HA ASP 22 HA ASP 22 -4.269 -4.823 -12.260 190 HB2 ASP 22 2HB ASP 22 -5.806 -2.269 -12.804 191 HB3 ASP 22 3HB ASP 22 -4.228 -2.231 -12.022 192 H THR 23 H THR 23 -3.529 -4.683 -10.198 193 HA THR 23 HA THR 23 -5.396 -5.504 -8.268 194 HB THR 23 HB THR 23 -2.500 -4.759 -7.741 195 HG1 THR 23 HG1 THR 23 -3.637 -6.998 -9.066 196 HG21 THR 23 3HG2 THR 23 -2.609 -6.585 -6.089 197 HG22 THR 23 1HG2 THR 23 -4.296 -6.879 -6.522 198 HG23 THR 23 2HG2 THR 23 -3.836 -5.366 -5.742 199 H ARG 24 H ARG 24 -6.380 -4.488 -6.636 200 HA ARG 24 HA ARG 24 -5.894 -1.620 -6.124 201 HB2 ARG 24 2HB ARG 24 -8.365 -3.375 -5.736 202 HB3 ARG 24 3HB ARG 24 -8.243 -1.737 -5.093 203 HG2 ARG 24 2HG ARG 24 -7.995 -2.432 -8.043 204 HG3 ARG 24 3HG ARG 24 -9.487 -1.886 -7.267 205 HD2 ARG 24 2HD ARG 24 -8.445 0.254 -6.695 206 HD3 ARG 24 3HD ARG 24 -6.899 -0.293 -7.343 207 HE ARG 24 HE ARG 24 -7.706 -0.066 -9.512 208 HH11 ARG 24 1HH1 ARG 24 -10.272 0.768 -7.257 209 HH12 ARG 24 2HH1 ARG 24 -11.140 1.706 -8.422 210 HH21 ARG 24 1HH2 ARG 24 -8.836 1.184 -11.000 211 HH22 ARG 24 2HH2 ARG 24 -10.338 1.930 -10.552 212 H ILE 25 H ILE 25 -5.292 -0.971 -4.150 213 HA ILE 25 HA ILE 25 -5.340 -2.787 -1.836 214 HB ILE 25 HB ILE 25 -3.112 -3.128 -2.787 215 HG12 ILE 25 2HG1 ILE 25 -2.856 -1.280 -0.365 216 HG13 ILE 25 3HG1 ILE 25 -3.276 -2.988 -0.291 217 HG21 ILE 25 1HG2 ILE 25 -2.922 -1.116 -4.175 218 HG22 ILE 25 2HG2 ILE 25 -1.493 -1.292 -3.155 219 HG23 ILE 25 3HG2 ILE 25 -2.734 -0.110 -2.734 220 HD11 ILE 25 3HD1 ILE 25 -0.949 -2.628 0.287 221 HD12 ILE 25 1HD1 ILE 25 -0.650 -1.866 -1.275 222 HD13 ILE 25 2HD1 ILE 25 -1.081 -3.578 -1.193 223 H ASN 26 H ASN 26 -5.780 -1.710 0.073 224 HA ASN 26 HA ASN 26 -6.385 1.159 -0.048 225 HB2 ASN 26 2HB ASN 26 -6.772 -0.827 2.236 226 HB3 ASN 26 3HB ASN 26 -7.383 0.826 2.184 227 HD21 ASN 26 1HD2 ASN 26 -7.682 -2.383 0.842 228 HD22 ASN 26 2HD2 ASN 26 -9.262 -2.171 0.180 229 H VAL 27 H VAL 27 -4.643 2.381 0.196 230 HA VAL 27 HA VAL 27 -2.336 1.468 1.771 231 HB VAL 27 HB VAL 27 -2.578 3.640 -0.368 232 HG11 VAL 27 1HG1 VAL 27 -0.107 3.756 -0.299 233 HG12 VAL 27 2HG1 VAL 27 -0.089 2.631 1.061 234 HG13 VAL 27 3HG1 VAL 27 -0.826 4.225 1.243 235 HG21 VAL 27 3HG2 VAL 27 -1.273 2.103 -1.803 236 HG22 VAL 27 1HG2 VAL 27 -2.815 1.391 -1.312 237 HG23 VAL 27 2HG2 VAL 27 -1.319 0.880 -0.529 238 H VAL 28 H VAL 28 -2.439 2.174 3.776 239 HA VAL 28 HA VAL 28 -3.663 4.732 4.501 240 HB VAL 28 HB VAL 28 -2.424 2.630 6.343 241 HG11 VAL 28 1HG1 VAL 28 -3.802 3.702 8.100 242 HG12 VAL 28 2HG1 VAL 28 -4.343 4.912 6.928 243 HG13 VAL 28 3HG1 VAL 28 -2.642 4.825 7.394 244 HG21 VAL 28 3HG2 VAL 28 -4.234 1.583 5.052 245 HG22 VAL 28 1HG2 VAL 28 -5.341 2.885 5.520 246 HG23 VAL 28 2HG2 VAL 28 -4.704 1.781 6.740 247 H ASP 29 H ASP 29 -2.281 6.330 3.986 248 HA ASP 29 HA ASP 29 0.504 6.412 4.255 249 HB2 ASP 29 2HB ASP 29 -0.876 8.075 2.977 250 HB3 ASP 29 3HB ASP 29 -1.489 8.720 4.498 251 HA PRO 30 HA PRO 30 0.376 6.232 8.804 252 HB2 PRO 30 2HB PRO 30 3.012 5.923 9.303 253 HB3 PRO 30 3HB PRO 30 2.061 4.644 8.539 254 HG2 PRO 30 2HG PRO 30 3.884 6.673 7.238 255 HG3 PRO 30 3HG PRO 30 3.776 4.925 6.944 256 HD2 PRO 30 2HD PRO 30 2.552 6.786 5.343 257 HD3 PRO 30 3HD PRO 30 1.922 5.139 5.567 258 H GLU 31 H GLU 31 1.737 8.789 6.969 259 HA GLU 31 HA GLU 31 2.885 10.309 9.172 260 HB2 GLU 31 2HB GLU 31 2.273 11.354 6.376 261 HB3 GLU 31 3HB GLU 31 3.502 11.932 7.494 262 HG2 GLU 31 2HG GLU 31 3.559 9.221 6.119 263 HG3 GLU 31 3HG GLU 31 4.383 10.654 5.512 264 H THR 32 H THR 32 0.204 10.709 6.905 265 HA THR 32 HA THR 32 -1.124 12.777 8.520 266 HB THR 32 HB THR 32 -2.626 12.968 6.506 267 HG1 THR 32 HG1 THR 32 -0.937 11.349 4.996 268 HG21 THR 32 3HG2 THR 32 -0.572 14.353 6.602 269 HG22 THR 32 1HG2 THR 32 -0.943 13.865 4.946 270 HG23 THR 32 2HG2 THR 32 0.342 13.049 5.838 271 H GLY 33 H GLY 33 -1.562 9.419 7.566 272 HA2 GLY 33 2HA GLY 33 -3.003 7.834 8.574 273 HA3 GLY 33 3HA GLY 33 -3.977 9.137 9.245 274 H LYS 34 H LYS 34 -3.227 9.703 5.979 275 HA LYS 34 HA LYS 34 -5.957 9.447 5.161 276 HB2 LYS 34 2HB LYS 34 -3.443 10.116 3.585 277 HB3 LYS 34 3HB LYS 34 -5.057 10.128 2.875 278 HG2 LYS 34 2HG LYS 34 -4.139 11.858 5.187 279 HG3 LYS 34 3HG LYS 34 -4.284 12.387 3.508 280 HD2 LYS 34 2HD LYS 34 -6.712 12.040 3.570 281 HD3 LYS 34 3HD LYS 34 -6.604 11.365 5.201 282 HE2 LYS 34 2HE LYS 34 -7.389 13.675 5.296 283 HE3 LYS 34 3HE LYS 34 -5.801 13.550 6.044 284 HZ1 LYS 34 3HZ LYS 34 -4.834 14.412 3.988 285 HZ2 LYS 34 1HZ LYS 34 -5.943 15.495 4.659 286 HZ3 LYS 34 2HZ LYS 34 -6.377 14.571 3.315 287 H VAL 35 H VAL 35 -6.839 7.491 4.894 288 HA VAL 35 HA VAL 35 -5.476 5.264 3.617 289 HB VAL 35 HB VAL 35 -8.458 5.501 4.295 290 HG11 VAL 35 1HG1 VAL 35 -6.708 3.047 3.867 291 HG12 VAL 35 2HG1 VAL 35 -7.927 3.665 2.748 292 HG13 VAL 35 3HG1 VAL 35 -8.417 3.027 4.319 293 HG21 VAL 35 3HG2 VAL 35 -7.183 5.905 6.345 294 HG22 VAL 35 1HG2 VAL 35 -6.226 4.445 6.073 295 HG23 VAL 35 2HG2 VAL 35 -7.952 4.319 6.422 296 H GLU 36 H GLU 36 -5.374 5.062 1.434 297 HA GLU 36 HA GLU 36 -7.486 6.134 -0.311 298 HB2 GLU 36 2HB GLU 36 -5.785 7.910 -0.201 299 HB3 GLU 36 3HB GLU 36 -4.507 6.757 -0.564 300 HG2 GLU 36 2HG GLU 36 -5.083 8.147 -2.521 301 HG3 GLU 36 3HG GLU 36 -5.370 6.435 -2.817 302 H ILE 37 H ILE 37 -7.949 4.760 -1.942 303 HA ILE 37 HA ILE 37 -6.632 2.176 -2.013 304 HB ILE 37 HB ILE 37 -8.930 3.148 -3.776 305 HG12 ILE 37 2HG1 ILE 37 -9.025 1.563 -1.165 306 HG13 ILE 37 3HG1 ILE 37 -9.550 3.231 -1.368 307 HG21 ILE 37 1HG2 ILE 37 -7.903 0.327 -3.219 308 HG22 ILE 37 2HG2 ILE 37 -7.731 1.212 -4.735 309 HG23 ILE 37 3HG2 ILE 37 -9.335 0.724 -4.185 310 HD11 ILE 37 3HD1 ILE 37 -11.430 1.717 -1.279 311 HD12 ILE 37 1HD1 ILE 37 -10.800 0.811 -2.655 312 HD13 ILE 37 2HD1 ILE 37 -11.324 2.483 -2.861 313 H ALA 38 H ALA 38 -4.700 2.224 -2.961 314 HA ALA 38 HA ALA 38 -4.159 3.722 -5.413 315 HB1 ALA 38 3HB ALA 38 -2.510 3.728 -3.576 316 HB2 ALA 38 1HB ALA 38 -1.832 3.034 -5.047 317 HB3 ALA 38 2HB ALA 38 -2.325 1.981 -3.717 318 H GLU 39 H GLU 39 -2.969 2.610 -7.151 319 HA GLU 39 HA GLU 39 -3.953 -0.145 -7.677 320 HB2 GLU 39 2HB GLU 39 -3.281 2.021 -9.731 321 HB3 GLU 39 3HB GLU 39 -3.879 0.401 -10.077 322 HG2 GLU 39 2HG GLU 39 -5.962 1.009 -8.742 323 HG3 GLU 39 3HG GLU 39 -5.366 2.667 -8.729 324 H ILE 40 H ILE 40 -2.422 -1.673 -7.938 325 HA ILE 40 HA ILE 40 0.333 -0.958 -7.395 326 HB ILE 40 HB ILE 40 -1.010 -3.682 -7.704 327 HG12 ILE 40 2HG1 ILE 40 -0.097 -2.150 -5.226 328 HG13 ILE 40 3HG1 ILE 40 -1.763 -2.398 -5.729 329 HG21 ILE 40 1HG2 ILE 40 1.062 -4.663 -6.754 330 HG22 ILE 40 2HG2 ILE 40 1.835 -3.076 -6.818 331 HG23 ILE 40 3HG2 ILE 40 1.357 -3.884 -8.311 332 HD11 ILE 40 3HD1 ILE 40 -1.174 -3.830 -3.883 333 HD12 ILE 40 1HD1 ILE 40 0.152 -4.533 -4.810 334 HD13 ILE 40 2HD1 ILE 40 -1.517 -4.790 -5.320 335 H ARG 41 H ARG 41 1.541 -0.305 -9.045 336 HA ARG 41 HA ARG 41 1.209 -0.887 -11.790 337 HB2 ARG 41 2HB ARG 41 3.715 0.015 -10.313 338 HB3 ARG 41 3HB ARG 41 3.485 0.081 -12.060 339 HG2 ARG 41 2HG ARG 41 1.611 1.720 -11.683 340 HG3 ARG 41 3HG ARG 41 2.004 1.707 -9.959 341 HD2 ARG 41 2HD ARG 41 4.345 2.432 -10.562 342 HD3 ARG 41 3HD ARG 41 3.807 2.597 -12.235 343 HE ARG 41 HE ARG 41 2.109 4.239 -11.192 344 HH11 ARG 41 1HH1 ARG 41 5.417 3.834 -10.067 345 HH12 ARG 41 2HH1 ARG 41 5.543 5.458 -9.470 346 HH21 ARG 41 1HH2 ARG 41 2.306 6.403 -10.423 347 HH22 ARG 41 2HH2 ARG 41 3.778 6.904 -9.658 348 H ASN 42 H ASN 42 3.308 -2.272 -9.267 349 HA ASN 42 HA ASN 42 3.862 -4.714 -10.681 350 HB2 ASN 42 2HB ASN 42 5.306 -3.035 -11.916 351 HB3 ASN 42 3HB ASN 42 6.141 -2.689 -10.409 352 HD21 ASN 42 1HD2 ASN 42 8.116 -3.294 -11.331 353 HD22 ASN 42 2HD2 ASN 42 8.536 -4.941 -11.624 354 H VAL 43 H VAL 43 5.621 -5.987 -9.433 355 HA VAL 43 HA VAL 43 5.523 -5.420 -6.530 356 HB VAL 43 HB VAL 43 6.253 -7.753 -6.209 357 HG11 VAL 43 1HG1 VAL 43 3.985 -7.636 -8.205 358 HG12 VAL 43 2HG1 VAL 43 3.856 -7.385 -6.460 359 HG13 VAL 43 3HG1 VAL 43 4.323 -8.966 -7.091 360 HG21 VAL 43 3HG2 VAL 43 6.589 -9.331 -8.064 361 HG22 VAL 43 1HG2 VAL 43 7.765 -8.020 -8.128 362 HG23 VAL 43 2HG2 VAL 43 6.389 -8.023 -9.233 363 H VAL 44 H VAL 44 7.393 -4.709 -5.501 364 HA VAL 44 HA VAL 44 10.027 -5.343 -6.433 365 HB VAL 44 HB VAL 44 9.679 -3.560 -8.051 366 HG11 VAL 44 1HG1 VAL 44 7.871 -2.296 -6.973 367 HG12 VAL 44 2HG1 VAL 44 9.188 -1.230 -7.465 368 HG13 VAL 44 3HG1 VAL 44 9.003 -1.678 -5.767 369 HG21 VAL 44 3HG2 VAL 44 11.563 -2.070 -7.521 370 HG22 VAL 44 1HG2 VAL 44 11.929 -3.744 -7.076 371 HG23 VAL 44 2HG2 VAL 44 11.493 -2.572 -5.830 372 H GLU 45 H GLU 45 10.395 -6.129 -4.457 373 HA GLU 45 HA GLU 45 10.087 -4.457 -2.072 374 HB2 GLU 45 2HB GLU 45 10.911 -6.779 -0.982 375 HB3 GLU 45 3HB GLU 45 9.235 -6.466 -1.385 376 HG2 GLU 45 2HG GLU 45 9.844 -8.713 -2.062 377 HG3 GLU 45 3HG GLU 45 9.492 -7.732 -3.481 378 H ASN 46 H ASN 46 12.529 -5.906 -4.052 379 HA ASN 46 HA ASN 46 14.577 -4.107 -3.179 380 HB2 ASN 46 2HB ASN 46 14.603 -5.806 -1.307 381 HB3 ASN 46 3HB ASN 46 14.981 -7.050 -2.485 382 HD21 ASN 46 1HD2 ASN 46 16.213 -4.192 -0.846 383 HD22 ASN 46 2HD2 ASN 46 17.881 -4.494 -1.177 384 H THR 47 H THR 47 13.334 -6.615 -5.195 385 HA THR 47 HA THR 47 15.508 -7.268 -6.778 386 HB THR 47 HB THR 47 13.420 -8.539 -6.873 387 HG1 THR 47 HG1 THR 47 14.613 -8.873 -8.661 388 HG21 THR 47 3HG2 THR 47 11.756 -6.703 -6.725 389 HG22 THR 47 1HG2 THR 47 11.440 -7.765 -8.101 390 HG23 THR 47 2HG2 THR 47 12.189 -6.190 -8.360 391 H ALA 48 H ALA 48 16.808 -5.992 -7.849 392 HA ALA 48 HA ALA 48 16.104 -3.308 -8.687 393 HB1 ALA 48 3HB ALA 48 18.486 -3.109 -9.261 394 HB2 ALA 48 1HB ALA 48 18.705 -4.841 -8.971 395 HB3 ALA 48 2HB ALA 48 18.275 -3.771 -7.636 396 H ASN 49 H ASN 49 16.786 -2.566 -10.894 397 HA ASN 49 HA ASN 49 16.183 -2.411 -13.062 398 HB2 ASN 49 2HB ASN 49 17.031 -5.343 -13.252 399 HB3 ASN 49 3HB ASN 49 16.887 -4.212 -14.595 400 HD21 ASN 49 1HD2 ASN 49 18.436 -2.496 -14.748 401 HD22 ASN 49 2HD2 ASN 49 19.982 -2.635 -13.998 402 HA PRO 50 HA PRO 50 12.163 -4.509 -11.876 403 HB2 PRO 50 2HB PRO 50 10.578 -2.366 -11.510 404 HB3 PRO 50 3HB PRO 50 11.813 -2.804 -10.320 405 HG2 PRO 50 2HG PRO 50 11.961 -0.721 -12.499 406 HG3 PRO 50 3HG PRO 50 12.410 -0.570 -10.789 407 HD2 PRO 50 2HD PRO 50 14.250 -1.071 -12.761 408 HD3 PRO 50 3HD PRO 50 14.447 -1.638 -11.086 409 H HIS 51 H HIS 51 13.198 -3.396 -14.709 410 HA HIS 51 HA HIS 51 10.782 -2.713 -16.109 411 HB2 HIS 51 2HB HIS 51 13.505 -3.506 -17.220 412 HB3 HIS 51 3HB HIS 51 12.199 -2.758 -18.138 413 HD1 HIS 51 HD1 HIS 51 15.284 -1.812 -16.881 414 HD2 HIS 51 HD2 HIS 51 11.494 -0.132 -16.547 415 HE1 HIS 51 HE1 HIS 51 15.659 0.603 -16.300 416 HE2 HIS 51 HE2 HIS 51 13.364 1.624 -16.343 417 H PHE 52 H PHE 52 12.906 -5.602 -16.054 418 HA PHE 52 HA PHE 52 11.097 -7.222 -17.614 419 HB2 PHE 52 2HB PHE 52 13.485 -7.743 -17.668 420 HB3 PHE 52 3HB PHE 52 13.521 -7.981 -15.925 421 HD1 PHE 52 HD1 PHE 52 11.943 -9.356 -19.055 422 HD2 PHE 52 HD2 PHE 52 13.208 -10.187 -15.046 423 HE1 PHE 52 HE1 PHE 52 11.453 -11.745 -19.380 424 HE2 PHE 52 HE2 PHE 52 12.717 -12.565 -15.384 425 HZ PHE 52 HZ PHE 52 11.841 -13.347 -17.553 426 H VAL 53 H VAL 53 11.586 -6.517 -14.218 427 HA VAL 53 HA VAL 53 10.359 -8.720 -13.020 428 HB VAL 53 HB VAL 53 10.440 -5.837 -12.010 429 HG11 VAL 53 1HG1 VAL 53 8.709 -7.112 -10.808 430 HG12 VAL 53 2HG1 VAL 53 10.072 -6.758 -9.747 431 HG13 VAL 53 3HG1 VAL 53 9.882 -8.378 -10.425 432 HG21 VAL 53 3HG2 VAL 53 12.410 -6.564 -10.698 433 HG22 VAL 53 1HG2 VAL 53 12.682 -6.768 -12.429 434 HG23 VAL 53 2HG2 VAL 53 12.310 -8.173 -11.424 435 H ARG 54 H ARG 54 8.500 -9.436 -13.658 436 HA ARG 54 HA ARG 54 6.202 -7.842 -14.431 437 HB2 ARG 54 2HB ARG 54 6.741 -9.848 -15.694 438 HB3 ARG 54 3HB ARG 54 6.815 -10.827 -14.237 439 HG2 ARG 54 2HG ARG 54 4.361 -10.593 -13.973 440 HG3 ARG 54 3HG ARG 54 4.301 -9.633 -15.456 441 HD2 ARG 54 2HD ARG 54 5.013 -11.490 -16.798 442 HD3 ARG 54 3HD ARG 54 5.448 -12.442 -15.375 443 HE ARG 54 HE ARG 54 2.629 -11.704 -15.687 444 HH11 ARG 54 1HH1 ARG 54 5.088 -14.222 -16.038 445 HH12 ARG 54 2HH1 ARG 54 3.922 -15.502 -16.131 446 HH21 ARG 54 1HH2 ARG 54 1.140 -13.443 -15.792 447 HH22 ARG 54 2HH2 ARG 54 1.719 -15.073 -15.965 448 H ARG 55 H ARG 55 4.150 -7.944 -13.279 449 HA ARG 55 HA ARG 55 4.224 -7.839 -10.471 450 HB2 ARG 55 2HB ARG 55 2.424 -6.764 -11.830 451 HB3 ARG 55 3HB ARG 55 1.792 -8.359 -12.240 452 HG2 ARG 55 2HG ARG 55 1.425 -8.743 -9.744 453 HG3 ARG 55 3HG ARG 55 1.841 -7.045 -9.500 454 HD2 ARG 55 2HD ARG 55 -0.461 -8.081 -11.182 455 HD3 ARG 55 3HD ARG 55 -0.595 -7.417 -9.552 456 HE ARG 55 HE ARG 55 0.525 -5.348 -10.757 457 HH11 ARG 55 1HH1 ARG 55 -2.077 -7.368 -11.999 458 HH12 ARG 55 2HH1 ARG 55 -2.740 -6.108 -12.987 459 HH21 ARG 55 1HH2 ARG 55 -0.421 -3.678 -11.999 460 HH22 ARG 55 2HH2 ARG 55 -1.815 -4.012 -12.980 461 H ASN 56 H ASN 56 5.167 -9.619 -9.597 462 HA ASN 56 HA ASN 56 4.303 -12.315 -10.060 463 HB2 ASN 56 2HB ASN 56 6.706 -11.441 -9.499 464 HB3 ASN 56 3HB ASN 56 6.151 -11.387 -7.833 465 HD21 ASN 56 1HD2 ASN 56 6.834 -13.486 -10.561 466 HD22 ASN 56 2HD2 ASN 56 6.971 -14.948 -9.648 467 H ILE 57 H ILE 57 4.520 -12.990 -7.064 468 HA ILE 57 HA ILE 57 1.587 -12.794 -6.790 469 HB ILE 57 HB ILE 57 3.547 -14.806 -5.588 470 HG12 ILE 57 2HG1 ILE 57 1.412 -15.040 -7.772 471 HG13 ILE 57 3HG1 ILE 57 3.152 -15.147 -7.992 472 HG21 ILE 57 1HG2 ILE 57 1.718 -14.379 -3.990 473 HG22 ILE 57 2HG2 ILE 57 1.543 -15.987 -4.701 474 HG23 ILE 57 3HG2 ILE 57 0.521 -14.656 -5.254 475 HD11 ILE 57 3HD1 ILE 57 2.101 -17.308 -8.137 476 HD12 ILE 57 1HD1 ILE 57 1.432 -17.119 -6.518 477 HD13 ILE 57 2HD1 ILE 57 3.180 -17.235 -6.742 478 H ILE 58 H ILE 58 1.205 -10.998 -5.761 479 HA ILE 58 HA ILE 58 2.782 -9.657 -3.866 480 HB ILE 58 HB ILE 58 -0.224 -9.432 -4.364 481 HG12 ILE 58 2HG1 ILE 58 2.050 -7.779 -5.572 482 HG13 ILE 58 3HG1 ILE 58 1.235 -9.105 -6.396 483 HG21 ILE 58 1HG2 ILE 58 -0.023 -7.141 -3.396 484 HG22 ILE 58 2HG2 ILE 58 1.661 -7.472 -2.986 485 HG23 ILE 58 3HG2 ILE 58 0.372 -8.395 -2.219 486 HD11 ILE 58 3HD1 ILE 58 0.417 -6.973 -7.157 487 HD12 ILE 58 1HD1 ILE 58 -0.048 -6.537 -5.513 488 HD13 ILE 58 2HD1 ILE 58 -0.855 -7.875 -6.336 489 H THR 59 H THR 59 3.183 -10.233 -1.838 490 HA THR 59 HA THR 59 1.204 -11.729 -0.224 491 HB THR 59 HB THR 59 3.187 -12.926 0.832 492 HG1 THR 59 HG1 THR 59 4.690 -12.155 -1.448 493 HG21 THR 59 3HG2 THR 59 1.836 -14.088 -0.883 494 HG22 THR 59 1HG2 THR 59 3.541 -14.538 -1.010 495 HG23 THR 59 2HG2 THR 59 2.843 -13.394 -2.154 496 H ARG 60 H ARG 60 1.702 -11.547 2.143 497 HA ARG 60 HA ARG 60 1.907 -8.868 3.007 498 HB2 ARG 60 2HB ARG 60 0.665 -10.640 4.249 499 HB3 ARG 60 3HB ARG 60 2.194 -11.412 4.662 500 HG2 ARG 60 2HG ARG 60 2.802 -9.166 5.802 501 HG3 ARG 60 3HG ARG 60 1.087 -8.771 5.654 502 HD2 ARG 60 2HD ARG 60 1.578 -9.706 7.861 503 HD3 ARG 60 3HD ARG 60 0.525 -10.802 6.957 504 HE ARG 60 HE ARG 60 3.039 -11.710 6.399 505 HH11 ARG 60 1HH1 ARG 60 1.398 -11.135 9.465 506 HH12 ARG 60 2HH1 ARG 60 2.255 -12.402 10.277 507 HH21 ARG 60 1HH2 ARG 60 4.138 -13.366 7.507 508 HH22 ARG 60 2HH2 ARG 60 3.795 -13.649 9.181 509 H GLY 61 H GLY 61 3.598 -7.726 3.929 510 HA2 GLY 61 2HA GLY 61 5.755 -7.308 4.708 511 HA3 GLY 61 3HA GLY 61 6.243 -8.929 4.249 512 H ALA 62 H ALA 62 5.309 -8.857 1.553 513 HA ALA 62 HA ALA 62 7.518 -7.781 0.195 514 HB1 ALA 62 3HB ALA 62 6.192 -9.673 -0.673 515 HB2 ALA 62 1HB ALA 62 6.305 -8.381 -1.872 516 HB3 ALA 62 2HB ALA 62 4.815 -8.602 -0.946 517 H VAL 63 H VAL 63 7.869 -5.876 -0.808 518 HA VAL 63 HA VAL 63 5.979 -3.680 -0.440 519 HB VAL 63 HB VAL 63 8.743 -3.565 -1.714 520 HG11 VAL 63 1HG1 VAL 63 8.629 -1.144 -1.282 521 HG12 VAL 63 2HG1 VAL 63 7.000 -1.328 -0.623 522 HG13 VAL 63 3HG1 VAL 63 7.309 -1.668 -2.330 523 HG21 VAL 63 3HG2 VAL 63 8.002 -2.991 1.172 524 HG22 VAL 63 1HG2 VAL 63 9.587 -2.740 0.440 525 HG23 VAL 63 2HG2 VAL 63 8.938 -4.375 0.593 526 H VAL 64 H VAL 64 4.806 -2.858 -2.011 527 HA VAL 64 HA VAL 64 5.086 -3.825 -4.793 528 HB VAL 64 HB VAL 64 2.629 -3.318 -5.025 529 HG11 VAL 64 1HG1 VAL 64 3.373 -5.618 -4.632 530 HG12 VAL 64 2HG1 VAL 64 1.822 -5.329 -3.841 531 HG13 VAL 64 3HG1 VAL 64 3.304 -5.367 -2.881 532 HG21 VAL 64 3HG2 VAL 64 2.676 -2.957 -1.998 533 HG22 VAL 64 1HG2 VAL 64 1.226 -3.041 -2.999 534 HG23 VAL 64 2HG2 VAL 64 2.350 -1.691 -3.188 535 H GLU 65 H GLU 65 4.758 -2.293 -6.429 536 HA GLU 65 HA GLU 65 5.274 0.520 -5.709 537 HB2 GLU 65 2HB GLU 65 6.801 -0.541 -7.411 538 HB3 GLU 65 3HB GLU 65 5.407 -0.859 -8.440 539 HG2 GLU 65 2HG GLU 65 4.978 1.610 -8.535 540 HG3 GLU 65 3HG GLU 65 6.461 1.866 -7.619 541 H THR 66 H THR 66 3.591 1.856 -5.833 542 HA THR 66 HA THR 66 1.159 1.095 -7.358 543 HB THR 66 HB THR 66 -0.211 2.216 -5.642 544 HG1 THR 66 HG1 THR 66 2.057 2.404 -3.940 545 HG21 THR 66 3HG2 THR 66 1.598 0.131 -4.359 546 HG22 THR 66 1HG2 THR 66 0.152 -0.203 -5.319 547 HG23 THR 66 2HG2 THR 66 0.008 0.628 -3.769 548 H ASN 67 H ASN 67 -0.232 3.205 -7.594 549 HA ASN 67 HA ASN 67 1.289 5.155 -9.022 550 HB2 ASN 67 2HB ASN 67 -0.868 6.322 -9.353 551 HB3 ASN 67 3HB ASN 67 -0.998 4.604 -9.706 552 HD21 ASN 67 1HD2 ASN 67 -3.090 6.524 -9.044 553 HD22 ASN 67 2HD2 ASN 67 -3.884 5.911 -7.641 554 H LEU 68 H LEU 68 0.430 4.833 -5.683 555 HA LEU 68 HA LEU 68 0.886 7.634 -5.009 556 HB2 LEU 68 2HB LEU 68 0.504 5.171 -3.275 557 HB3 LEU 68 3HB LEU 68 0.703 6.796 -2.635 558 HG LEU 68 HG LEU 68 -1.636 5.784 -4.305 559 HD11 LEU 68 1HD1 LEU 68 -1.738 4.997 -1.994 560 HD12 LEU 68 2HD1 LEU 68 -2.991 6.194 -2.303 561 HD13 LEU 68 3HD1 LEU 68 -1.549 6.653 -1.399 562 HD21 LEU 68 3HD2 LEU 68 -1.175 8.113 -4.911 563 HD22 LEU 68 1HD2 LEU 68 -1.186 8.581 -3.206 564 HD23 LEU 68 2HD2 LEU 68 -2.663 8.000 -3.978 565 H GLY 69 H GLY 69 2.586 4.509 -4.671 566 HA2 GLY 69 2HA GLY 69 5.141 5.179 -5.157 567 HA3 GLY 69 3HA GLY 69 4.961 5.741 -3.496 568 H ASN 70 H ASN 70 6.471 4.193 -2.701 569 HA ASN 70 HA ASN 70 6.057 1.345 -3.100 570 HB2 ASN 70 2HB ASN 70 7.991 2.933 -1.355 571 HB3 ASN 70 3HB ASN 70 7.929 1.176 -1.338 572 HD21 ASN 70 1HD2 ASN 70 7.742 3.461 -4.094 573 HD22 ASN 70 2HD2 ASN 70 9.122 2.821 -4.899 574 H VAL 71 H VAL 71 4.694 0.109 -1.890 575 HA VAL 71 HA VAL 71 3.771 1.073 0.761 576 HB VAL 71 HB VAL 71 2.217 -0.495 -1.364 577 HG11 VAL 71 1HG1 VAL 71 0.224 -0.155 0.045 578 HG12 VAL 71 2HG1 VAL 71 1.209 0.656 1.265 579 HG13 VAL 71 3HG1 VAL 71 1.466 -1.055 0.922 580 HG21 VAL 71 3HG2 VAL 71 0.866 1.561 -1.672 581 HG22 VAL 71 1HG2 VAL 71 2.561 1.814 -2.101 582 HG23 VAL 71 2HG2 VAL 71 1.937 2.424 -0.565 583 H ARG 72 H ARG 72 3.867 -0.387 2.432 584 HA ARG 72 HA ARG 72 4.806 -3.143 2.025 585 HB2 ARG 72 2HB ARG 72 4.049 -1.575 4.538 586 HB3 ARG 72 3HB ARG 72 4.364 -3.307 4.589 587 HG2 ARG 72 2HG ARG 72 6.331 -1.198 3.717 588 HG3 ARG 72 3HG ARG 72 6.302 -1.975 5.293 589 HD2 ARG 72 2HD ARG 72 6.802 -4.140 4.285 590 HD3 ARG 72 3HD ARG 72 6.716 -3.437 2.662 591 HE ARG 72 HE ARG 72 8.658 -1.965 3.619 592 HH11 ARG 72 1HH1 ARG 72 8.221 -5.394 4.260 593 HH12 ARG 72 2HH1 ARG 72 9.927 -5.717 4.333 594 HH21 ARG 72 1HH2 ARG 72 10.896 -2.408 3.687 595 HH22 ARG 72 2HH2 ARG 72 11.432 -4.033 4.006 596 H VAL 73 H VAL 73 3.410 -4.826 1.773 597 HA VAL 73 HA VAL 73 0.553 -4.502 2.161 598 HB VAL 73 HB VAL 73 2.167 -7.042 1.589 599 HG11 VAL 73 1HG1 VAL 73 -0.001 -8.017 0.868 600 HG12 VAL 73 2HG1 VAL 73 -0.836 -6.560 1.409 601 HG13 VAL 73 3HG1 VAL 73 -0.007 -7.589 2.578 602 HG21 VAL 73 3HG2 VAL 73 1.452 -6.757 -0.763 603 HG22 VAL 73 1HG2 VAL 73 2.410 -5.377 -0.218 604 HG23 VAL 73 2HG2 VAL 73 0.655 -5.238 -0.348 605 H THR 74 H THR 74 -0.193 -4.406 4.207 606 HA THR 74 HA THR 74 1.394 -5.514 6.439 607 HB THR 74 HB THR 74 -0.087 -4.037 7.855 608 HG1 THR 74 HG1 THR 74 -1.634 -2.866 6.932 609 HG21 THR 74 3HG2 THR 74 1.378 -2.610 5.599 610 HG22 THR 74 1HG2 THR 74 2.106 -3.198 7.099 611 HG23 THR 74 2HG2 THR 74 0.919 -1.893 7.146 612 H SER 75 H SER 75 -1.695 -5.760 4.861 613 HA SER 75 HA SER 75 -2.740 -7.699 6.814 614 HB2 SER 75 2HB SER 75 -4.104 -6.369 4.429 615 HB3 SER 75 3HB SER 75 -4.886 -7.459 5.580 616 HG SER 75 HG SER 75 -3.543 -5.173 6.529 617 H ARG 76 H ARG 76 -4.024 -9.532 5.686 618 HA ARG 76 HA ARG 76 -2.365 -11.050 3.899 619 HB2 ARG 76 2HB ARG 76 -5.245 -11.480 4.809 620 HB3 ARG 76 3HB ARG 76 -4.299 -12.645 3.895 621 HG2 ARG 76 2HG ARG 76 -2.737 -12.877 5.767 622 HG3 ARG 76 3HG ARG 76 -3.638 -11.669 6.690 623 HD2 ARG 76 2HD ARG 76 -4.204 -13.994 7.358 624 HD3 ARG 76 3HD ARG 76 -5.597 -13.105 6.737 625 HE ARG 76 HE ARG 76 -4.282 -14.624 4.696 626 HH11 ARG 76 1HH1 ARG 76 -6.600 -14.937 7.340 627 HH12 ARG 76 2HH1 ARG 76 -7.406 -16.286 6.618 628 HH21 ARG 76 1HH2 ARG 76 -5.362 -16.359 3.769 629 HH22 ARG 76 2HH2 ARG 76 -6.722 -17.080 4.569 630 HA PRO 77 HA PRO 77 -4.037 -9.095 0.111 631 HB2 PRO 77 2HB PRO 77 -2.685 -11.415 -1.221 632 HB3 PRO 77 3HB PRO 77 -2.504 -9.684 -1.526 633 HG2 PRO 77 2HG PRO 77 -0.579 -11.056 -0.270 634 HG3 PRO 77 3HG PRO 77 -0.976 -9.399 0.226 635 HD2 PRO 77 2HD PRO 77 -1.792 -12.008 1.513 636 HD3 PRO 77 3HD PRO 77 -1.223 -10.504 2.281 637 H GLY 78 H GLY 78 -6.212 -9.463 0.175 638 HA2 GLY 78 2HA GLY 78 -8.125 -10.434 -0.776 639 HA3 GLY 78 3HA GLY 78 -7.264 -11.951 -0.979 640 H GLN 79 H GLN 79 -7.126 -10.284 2.085 641 HA GLN 79 HA GLN 79 -8.287 -12.409 3.571 642 HB2 GLN 79 2HB GLN 79 -6.617 -10.781 4.479 643 HB3 GLN 79 3HB GLN 79 -7.816 -9.510 4.409 644 HG2 GLN 79 2HG GLN 79 -8.278 -11.980 6.089 645 HG3 GLN 79 3HG GLN 79 -7.293 -10.650 6.689 646 HE21 GLN 79 1HE2 GLN 79 -9.837 -11.708 7.689 647 HE22 GLN 79 2HE2 GLN 79 -10.929 -10.370 7.725 648 H ASP 80 H ASP 80 -9.445 -9.085 3.040 649 HA ASP 80 HA ASP 80 -12.248 -9.743 3.501 650 HB2 ASP 80 2HB ASP 80 -11.540 -7.600 4.313 651 HB3 ASP 80 3HB ASP 80 -10.725 -7.195 2.811 652 H GLY 81 H GLY 81 -10.253 -10.284 0.931 653 HA2 GLY 81 2HA GLY 81 -11.048 -10.723 -1.313 654 HA3 GLY 81 3HA GLY 81 -12.145 -9.356 -1.158 655 H VAL 82 H VAL 82 -10.686 -7.358 -0.229 656 HA VAL 82 HA VAL 82 -8.810 -6.699 -2.361 657 HB VAL 82 HB VAL 82 -10.636 -5.135 -1.559 658 HG11 VAL 82 1HG1 VAL 82 -8.931 -4.829 0.928 659 HG12 VAL 82 2HG1 VAL 82 -10.542 -5.550 0.840 660 HG13 VAL 82 3HG1 VAL 82 -10.327 -3.830 0.503 661 HG21 VAL 82 3HG2 VAL 82 -7.828 -3.992 -1.374 662 HG22 VAL 82 1HG2 VAL 82 -9.308 -3.074 -1.680 663 HG23 VAL 82 2HG2 VAL 82 -8.744 -4.259 -2.860 664 H ILE 83 H ILE 83 -6.742 -5.586 -1.778 665 HA ILE 83 HA ILE 83 -5.291 -6.868 0.438 666 HB ILE 83 HB ILE 83 -4.164 -5.154 -1.833 667 HG12 ILE 83 2HG1 ILE 83 -4.456 -8.183 -1.686 668 HG13 ILE 83 3HG1 ILE 83 -5.216 -7.108 -2.848 669 HG21 ILE 83 1HG2 ILE 83 -2.755 -7.074 0.053 670 HG22 ILE 83 2HG2 ILE 83 -2.678 -5.315 0.131 671 HG23 ILE 83 3HG2 ILE 83 -1.984 -6.165 -1.248 672 HD11 ILE 83 3HD1 ILE 83 -2.282 -7.778 -2.655 673 HD12 ILE 83 1HD1 ILE 83 -2.977 -6.598 -3.773 674 HD13 ILE 83 2HD1 ILE 83 -3.423 -8.298 -3.893 675 H ASN 84 H ASN 84 -4.193 -5.550 2.012 676 HA ASN 84 HA ASN 84 -4.733 -2.634 2.001 677 HB2 ASN 84 2HB ASN 84 -5.122 -4.535 4.359 678 HB3 ASN 84 3HB ASN 84 -5.052 -2.790 4.525 679 HD21 ASN 84 1HD2 ASN 84 -6.889 -5.422 3.049 680 HD22 ASN 84 2HD2 ASN 84 -8.389 -4.566 2.991 681 H GLY 85 H GLY 85 -3.177 -1.361 3.101 682 HA2 GLY 85 2HA GLY 85 -0.707 -2.478 4.105 683 HA3 GLY 85 3HA GLY 85 -0.567 -1.884 2.455 684 H VAL 86 H VAL 86 1.127 -0.581 3.797 685 HA VAL 86 HA VAL 86 -0.084 2.030 4.505 686 HB VAL 86 HB VAL 86 1.709 2.436 6.202 687 HG11 VAL 86 1HG1 VAL 86 0.771 1.053 8.017 688 HG12 VAL 86 2HG1 VAL 86 -0.024 0.025 6.821 689 HG13 VAL 86 3HG1 VAL 86 -0.491 1.719 6.976 690 HG21 VAL 86 3HG2 VAL 86 2.391 -0.508 5.856 691 HG22 VAL 86 1HG2 VAL 86 3.052 0.559 7.098 692 HG23 VAL 86 2HG2 VAL 86 3.411 0.855 5.394 693 H LEU 87 H LEU 87 1.006 3.854 3.756 694 HA LEU 87 HA LEU 87 2.695 3.433 1.456 695 HB2 LEU 87 2HB LEU 87 0.904 5.205 1.632 696 HB3 LEU 87 3HB LEU 87 1.927 6.075 2.758 697 HG LEU 87 HG LEU 87 3.617 6.457 0.991 698 HD11 LEU 87 1HD1 LEU 87 3.220 5.794 -1.358 699 HD12 LEU 87 2HD1 LEU 87 1.790 4.884 -0.860 700 HD13 LEU 87 3HD1 LEU 87 3.391 4.395 -0.296 701 HD21 LEU 87 3HD2 LEU 87 2.350 7.959 -0.469 702 HD22 LEU 87 1HD2 LEU 87 1.786 8.096 1.198 703 HD23 LEU 87 2HD2 LEU 87 0.834 7.192 0.013 704 H ILE 88 H ILE 88 4.758 2.871 1.810 705 HA ILE 88 HA ILE 88 6.365 4.193 3.933 706 HB ILE 88 HB ILE 88 7.922 2.262 3.707 707 HG12 ILE 88 2HG1 ILE 88 5.845 0.811 2.030 708 HG13 ILE 88 3HG1 ILE 88 7.038 1.830 1.242 709 HG21 ILE 88 1HG2 ILE 88 6.178 2.187 5.437 710 HG22 ILE 88 2HG2 ILE 88 6.499 0.570 4.809 711 HG23 ILE 88 3HG2 ILE 88 5.052 1.442 4.295 712 HD11 ILE 88 3HD1 ILE 88 7.765 -0.437 3.060 713 HD12 ILE 88 1HD1 ILE 88 8.812 0.497 2.004 714 HD13 ILE 88 2HD1 ILE 88 7.593 -0.570 1.312 715 H ARG 89 H ARG 89 8.897 3.825 3.077 716 HA ARG 89 HA ARG 89 9.155 4.861 0.340 717 HB2 ARG 89 2HB ARG 89 10.304 6.295 2.799 718 HB3 ARG 89 3HB ARG 89 10.684 6.703 1.124 719 HG2 ARG 89 2HG ARG 89 8.380 7.382 0.705 720 HG3 ARG 89 3HG ARG 89 7.880 6.826 2.298 721 HD2 ARG 89 2HD ARG 89 9.269 8.581 3.348 722 HD3 ARG 89 3HD ARG 89 9.771 9.135 1.747 723 HE ARG 89 HE ARG 89 7.416 9.678 1.308 724 HH11 ARG 89 1HH1 ARG 89 8.345 9.432 4.691 725 HH12 ARG 89 2HH1 ARG 89 7.013 10.395 5.250 726 HH21 ARG 89 1HH2 ARG 89 5.693 10.940 2.056 727 HH22 ARG 89 2HH2 ARG 89 5.520 11.273 3.749 728 H GLU 90 H GLU 90 9.880 2.530 0.218 729 HA GLU 90 HA GLU 90 12.532 1.815 1.074 730 HB2 GLU 90 2HB GLU 90 11.052 0.888 -1.436 731 HB3 GLU 90 3HB GLU 90 12.520 0.162 -0.801 732 HG2 GLU 90 2HG GLU 90 9.874 0.230 0.623 733 HG3 GLU 90 3HG GLU 90 10.430 -1.115 -0.358 734 H LEU 91 H LEU 91 11.341 2.624 -2.177 735 HA LEU 91 HA LEU 91 13.785 3.954 -3.007 736 HB2 LEU 91 2HB LEU 91 11.047 3.845 -4.349 737 HB3 LEU 91 3HB LEU 91 12.562 4.307 -5.111 738 HG LEU 91 HG LEU 91 11.781 1.526 -4.160 739 HD11 LEU 91 1HD1 LEU 91 12.225 2.559 -6.976 740 HD12 LEU 91 2HD1 LEU 91 10.666 2.170 -6.242 741 HD13 LEU 91 3HD1 LEU 91 11.849 0.894 -6.525 742 HD21 LEU 91 3HD2 LEU 91 14.164 1.822 -3.766 743 HD22 LEU 91 1HD2 LEU 91 14.395 2.402 -5.420 744 HD23 LEU 91 2HD2 LEU 91 13.909 0.731 -5.123 745 H GLU 92 H GLU 92 12.818 6.205 -4.386 746 HA GLU 92 HA GLU 92 12.094 8.368 -4.257 747 HB2 GLU 92 2HB GLU 92 10.203 7.333 -2.115 748 HB3 GLU 92 3HB GLU 92 10.024 8.846 -2.996 749 HG2 GLU 92 2HG GLU 92 9.438 7.733 -5.012 750 HG3 GLU 92 3HG GLU 92 10.030 6.178 -4.420 751 H HIS 93 H HIS 93 14.249 7.350 -2.437 752 HA HIS 93 HA HIS 93 14.049 9.200 -0.124 753 HB2 HIS 93 2HB HIS 93 15.203 7.592 1.251 754 HB3 HIS 93 3HB HIS 93 13.949 6.689 0.407 755 HD1 HIS 93 HD1 HIS 93 17.472 6.562 1.176 756 HD2 HIS 93 HD2 HIS 93 15.089 5.248 -1.962 757 HE1 HIS 93 HE1 HIS 93 18.845 4.846 -0.046 758 HE2 HIS 93 HE2 HIS 93 17.321 3.970 -1.840 759 H HIS 94 H HIS 94 16.221 9.776 0.775 760 HA HIS 94 HA HIS 94 18.473 9.739 -1.119 761 HB2 HIS 94 2HB HIS 94 17.504 12.196 0.412 762 HB3 HIS 94 3HB HIS 94 19.056 12.098 -0.417 763 HD1 HIS 94 HD1 HIS 94 18.811 11.630 -3.110 764 HD2 HIS 94 HD2 HIS 94 15.476 13.155 -1.160 765 HE1 HIS 94 HE1 HIS 94 17.333 12.559 -4.918 766 HE2 HIS 94 HE2 HIS 94 15.444 13.669 -3.687 767 H HIS 95 H HIS 95 17.521 10.754 2.182 768 HA HIS 95 HA HIS 95 20.098 9.829 3.244 769 HB2 HIS 95 2HB HIS 95 19.366 12.092 3.860 770 HB3 HIS 95 3HB HIS 95 17.868 11.460 4.524 771 HD1 HIS 95 HD1 HIS 95 21.588 11.531 5.227 772 HD2 HIS 95 HD2 HIS 95 18.016 10.638 7.168 773 HE1 HIS 95 HE1 HIS 95 22.180 11.206 7.650 774 HE2 HIS 95 HE2 HIS 95 20.012 10.658 8.801 775 H HIS 96 H HIS 96 16.587 9.379 3.930 776 HA HIS 96 HA HIS 96 17.254 7.031 5.619 777 HB2 HIS 96 2HB HIS 96 16.099 8.905 6.784 778 HB3 HIS 96 3HB HIS 96 14.738 8.756 5.675 779 HD1 HIS 96 HD1 HIS 96 13.205 6.638 5.984 780 HD2 HIS 96 HD2 HIS 96 16.201 7.003 8.833 781 HE1 HIS 96 HE1 HIS 96 12.578 5.055 7.826 782 HE2 HIS 96 HE2 HIS 96 14.297 5.451 9.619 783 H HIS 97 H HIS 97 16.978 5.171 4.607 784 HA HIS 97 HA HIS 97 14.739 4.622 2.761 785 HB2 HIS 97 2HB HIS 97 16.823 3.740 1.963 786 HB3 HIS 97 3HB HIS 97 17.298 3.179 3.556 787 HD1 HIS 97 HD1 HIS 97 15.205 2.209 0.599 788 HD2 HIS 97 HD2 HIS 97 16.425 0.598 4.222 789 HE1 HIS 97 HE1 HIS 97 14.569 -0.211 0.513 790 HE2 HIS 97 HE2 HIS 97 15.414 -1.185 2.661 791 H HIS 98 H HIS 98 13.127 3.014 3.292 792 HA HIS 98 HA HIS 98 12.393 2.806 6.059 793 HB2 HIS 98 2HB HIS 98 10.675 2.925 4.288 794 HB3 HIS 98 3HB HIS 98 11.224 1.388 3.629 795 HD1 HIS 98 HD1 HIS 98 9.527 2.808 6.700 796 HD2 HIS 98 HD2 HIS 98 10.117 -0.868 4.851 797 HE1 HIS 98 HE1 HIS 98 8.123 1.167 7.971 798 HE2 HIS 98 HE2 HIS 98 8.643 -1.066 6.958 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 1.305 20.874 -31.794 2 H2 GLY 1 2H GLY 1 1.597 19.265 -31.387 3 H3 GLY 1 3H GLY 1 2.870 20.374 -31.402 4 HA2 GLY 1 2HA GLY 1 2.228 19.908 -29.153 5 HA3 GLY 1 3HA GLY 1 1.893 21.582 -29.573 6 H ASP 2 H ASP 2 0.398 18.345 -29.448 7 HA ASP 2 HA ASP 2 -2.323 19.229 -29.625 8 HB2 ASP 2 2HB ASP 2 -1.186 16.570 -28.630 9 HB3 ASP 2 3HB ASP 2 -2.890 16.875 -28.955 10 H ARG 3 H ARG 3 -3.052 20.569 -28.063 11 HA ARG 3 HA ARG 3 -2.305 20.438 -25.288 12 HB2 ARG 3 2HB ARG 3 -4.668 21.911 -26.548 13 HB3 ARG 3 3HB ARG 3 -3.984 22.210 -24.959 14 HG2 ARG 3 2HG ARG 3 -2.688 22.784 -27.638 15 HG3 ARG 3 3HG ARG 3 -3.274 23.961 -26.462 16 HD2 ARG 3 2HD ARG 3 -1.538 23.150 -24.854 17 HD3 ARG 3 3HD ARG 3 -0.904 22.080 -26.112 18 HE ARG 3 HE ARG 3 -1.032 25.019 -26.435 19 HH11 ARG 3 1HH1 ARG 3 0.830 22.052 -26.685 20 HH12 ARG 3 2HH1 ARG 3 2.253 22.858 -27.261 21 HH21 ARG 3 1HH2 ARG 3 0.823 26.049 -27.214 22 HH22 ARG 3 2HH2 ARG 3 2.243 25.121 -27.581 23 H ARG 4 H ARG 4 -2.785 18.445 -24.448 24 HA ARG 4 HA ARG 4 -4.917 16.768 -25.091 25 HB2 ARG 4 2HB ARG 4 -3.317 16.880 -22.504 26 HB3 ARG 4 3HB ARG 4 -4.338 15.534 -22.999 27 HG2 ARG 4 2HG ARG 4 -2.860 15.098 -24.919 28 HG3 ARG 4 3HG ARG 4 -1.848 16.470 -24.461 29 HD2 ARG 4 2HD ARG 4 -1.367 15.353 -22.288 30 HD3 ARG 4 3HD ARG 4 -2.323 13.964 -22.818 31 HE ARG 4 HE ARG 4 -0.477 14.287 -24.793 32 HH11 ARG 4 1HH1 ARG 4 -0.218 13.865 -21.306 33 HH12 ARG 4 2HH1 ARG 4 1.286 13.012 -21.399 34 HH21 ARG 4 1HH2 ARG 4 1.529 13.177 -24.867 35 HH22 ARG 4 2HH2 ARG 4 2.268 12.634 -23.399 36 H VAL 5 H VAL 5 -7.028 17.206 -24.817 37 HA VAL 5 HA VAL 5 -8.057 18.933 -22.742 38 HB VAL 5 HB VAL 5 -9.563 17.182 -24.747 39 HG11 VAL 5 1HG1 VAL 5 -11.518 18.645 -24.277 40 HG12 VAL 5 2HG1 VAL 5 -10.597 19.471 -23.017 41 HG13 VAL 5 3HG1 VAL 5 -11.001 17.761 -22.842 42 HG21 VAL 5 3HG2 VAL 5 -9.843 19.250 -26.077 43 HG22 VAL 5 1HG2 VAL 5 -8.136 18.849 -25.871 44 HG23 VAL 5 2HG2 VAL 5 -8.860 20.144 -24.915 45 H ARG 6 H ARG 6 -7.982 18.172 -20.725 46 HA ARG 6 HA ARG 6 -7.828 15.486 -19.946 47 HB2 ARG 6 2HB ARG 6 -8.137 16.365 -17.616 48 HB3 ARG 6 3HB ARG 6 -6.896 17.199 -18.537 49 HG2 ARG 6 2HG ARG 6 -8.484 19.066 -18.961 50 HG3 ARG 6 3HG ARG 6 -9.695 18.235 -17.984 51 HD2 ARG 6 2HD ARG 6 -8.080 18.347 -16.042 52 HD3 ARG 6 3HD ARG 6 -7.035 19.369 -17.048 53 HE ARG 6 HE ARG 6 -9.641 20.430 -17.042 54 HH11 ARG 6 1HH1 ARG 6 -6.936 20.087 -14.824 55 HH12 ARG 6 2HH1 ARG 6 -7.400 21.458 -13.877 56 HH21 ARG 6 1HH2 ARG 6 -10.210 22.227 -15.813 57 HH22 ARG 6 2HH2 ARG 6 -9.254 22.680 -14.436 58 H LEU 7 H LEU 7 -9.311 13.958 -19.676 59 HA LEU 7 HA LEU 7 -12.122 14.485 -20.155 60 HB2 LEU 7 2HB LEU 7 -10.755 11.832 -19.567 61 HB3 LEU 7 3HB LEU 7 -12.350 12.051 -20.267 62 HG LEU 7 HG LEU 7 -9.701 12.753 -21.597 63 HD11 LEU 7 1HD1 LEU 7 -11.674 10.551 -22.265 64 HD12 LEU 7 2HD1 LEU 7 -10.089 10.339 -21.517 65 HD13 LEU 7 3HD1 LEU 7 -10.207 10.939 -23.171 66 HD21 LEU 7 3HD2 LEU 7 -11.008 13.278 -23.621 67 HD22 LEU 7 1HD2 LEU 7 -11.402 14.367 -22.289 68 HD23 LEU 7 2HD2 LEU 7 -12.506 13.059 -22.716 69 H ILE 8 H ILE 8 -12.671 15.682 -18.295 70 HA ILE 8 HA ILE 8 -12.333 14.503 -15.624 71 HB ILE 8 HB ILE 8 -13.554 17.202 -16.384 72 HG12 ILE 8 2HG1 ILE 8 -11.196 17.113 -17.119 73 HG13 ILE 8 3HG1 ILE 8 -11.356 18.198 -15.745 74 HG21 ILE 8 1HG2 ILE 8 -13.147 17.835 -14.018 75 HG22 ILE 8 2HG2 ILE 8 -12.587 16.195 -13.680 76 HG23 ILE 8 3HG2 ILE 8 -14.265 16.473 -14.152 77 HD11 ILE 8 3HD1 ILE 8 -10.451 16.444 -14.269 78 HD12 ILE 8 1HD1 ILE 8 -9.339 16.863 -15.571 79 HD13 ILE 8 2HD1 ILE 8 -10.282 15.375 -15.664 80 H ARG 9 H ARG 9 -13.748 12.710 -16.186 81 HA ARG 9 HA ARG 9 -16.506 13.125 -15.466 82 HB2 ARG 9 2HB ARG 9 -17.382 12.031 -17.642 83 HB3 ARG 9 3HB ARG 9 -16.880 13.708 -17.741 84 HG2 ARG 9 2HG ARG 9 -16.135 12.594 -19.740 85 HG3 ARG 9 3HG ARG 9 -14.707 12.951 -18.767 86 HD2 ARG 9 2HD ARG 9 -14.602 10.636 -18.016 87 HD3 ARG 9 3HD ARG 9 -16.109 10.261 -18.855 88 HE ARG 9 HE ARG 9 -14.304 11.242 -20.744 89 HH11 ARG 9 1HH1 ARG 9 -14.519 8.442 -18.632 90 HH12 ARG 9 2HH1 ARG 9 -13.714 7.391 -19.752 91 HH21 ARG 9 1HH2 ARG 9 -13.275 9.852 -22.201 92 HH22 ARG 9 2HH2 ARG 9 -13.000 8.191 -21.778 93 H THR 10 H THR 10 -17.683 10.853 -15.990 94 HA THR 10 HA THR 10 -18.046 8.798 -15.207 95 HB THR 10 HB THR 10 -16.398 6.997 -15.969 96 HG1 THR 10 HG1 THR 10 -14.550 8.493 -15.934 97 HG21 THR 10 3HG2 THR 10 -17.312 8.983 -18.087 98 HG22 THR 10 1HG2 THR 10 -18.292 7.688 -17.401 99 HG23 THR 10 2HG2 THR 10 -16.870 7.297 -18.372 100 H ARG 11 H ARG 11 -18.003 9.536 -13.060 101 HA ARG 11 HA ARG 11 -16.230 8.026 -11.342 102 HB2 ARG 11 2HB ARG 11 -15.611 10.066 -9.960 103 HB3 ARG 11 3HB ARG 11 -14.843 9.982 -11.537 104 HG2 ARG 11 2HG ARG 11 -15.416 12.257 -11.313 105 HG3 ARG 11 3HG ARG 11 -16.703 11.617 -12.328 106 HD2 ARG 11 2HD ARG 11 -18.164 11.445 -10.315 107 HD3 ARG 11 3HD ARG 11 -16.872 12.145 -9.342 108 HE ARG 11 HE ARG 11 -17.803 13.732 -11.612 109 HH11 ARG 11 1HH1 ARG 11 -17.918 13.230 -8.151 110 HH12 ARG 11 2HH1 ARG 11 -18.634 14.771 -7.830 111 HH21 ARG 11 1HH2 ARG 11 -18.785 15.741 -11.176 112 HH22 ARG 11 2HH2 ARG 11 -19.136 16.201 -9.542 113 H GLY 12 H GLY 12 -16.967 8.299 -8.981 114 HA2 GLY 12 2HA GLY 12 -18.737 9.219 -7.522 115 HA3 GLY 12 3HA GLY 12 -19.884 8.892 -8.810 116 H GLY 13 H GLY 13 -20.956 7.785 -6.974 117 HA2 GLY 13 2HA GLY 13 -19.893 5.220 -6.086 118 HA3 GLY 13 3HA GLY 13 -21.424 5.960 -5.632 119 H ASN 14 H ASN 14 -19.889 4.818 -8.642 120 HA ASN 14 HA ASN 14 -22.315 3.817 -9.814 121 HB2 ASN 14 2HB ASN 14 -19.388 3.421 -10.578 122 HB3 ASN 14 3HB ASN 14 -20.752 2.894 -11.564 123 HD21 ASN 14 1HD2 ASN 14 -21.967 4.427 -12.671 124 HD22 ASN 14 2HD2 ASN 14 -21.448 6.062 -12.876 125 H THR 15 H THR 15 -22.361 1.484 -10.671 126 HA THR 15 HA THR 15 -22.246 -0.412 -8.550 127 HB THR 15 HB THR 15 -22.788 -2.107 -10.362 128 HG1 THR 15 HG1 THR 15 -22.834 -1.498 -12.430 129 HG21 THR 15 3HG2 THR 15 -25.042 -1.238 -10.849 130 HG22 THR 15 1HG2 THR 15 -24.538 0.384 -10.371 131 HG23 THR 15 2HG2 THR 15 -24.610 -0.908 -9.171 132 H LYS 16 H LYS 16 -20.080 -0.225 -7.865 133 HA LYS 16 HA LYS 16 -17.929 -1.233 -9.586 134 HB2 LYS 16 2HB LYS 16 -16.408 -0.454 -7.793 135 HB3 LYS 16 3HB LYS 16 -17.460 0.839 -8.361 136 HG2 LYS 16 2HG LYS 16 -18.896 0.570 -6.375 137 HG3 LYS 16 3HG LYS 16 -17.873 -0.752 -5.803 138 HD2 LYS 16 2HD LYS 16 -17.020 2.145 -6.167 139 HD3 LYS 16 3HD LYS 16 -17.346 1.341 -4.630 140 HE2 LYS 16 2HE LYS 16 -15.457 -0.223 -5.083 141 HE3 LYS 16 3HE LYS 16 -15.100 0.660 -6.567 142 HZ1 LYS 16 3HZ LYS 16 -15.097 1.849 -3.855 143 HZ2 LYS 16 1HZ LYS 16 -14.614 2.605 -5.284 144 HZ3 LYS 16 2HZ LYS 16 -13.711 1.320 -4.661 145 H VAL 17 H VAL 17 -16.499 -2.857 -8.785 146 HA VAL 17 HA VAL 17 -17.734 -4.878 -6.999 147 HB VAL 17 HB VAL 17 -16.788 -6.631 -8.583 148 HG11 VAL 17 1HG1 VAL 17 -18.567 -6.439 -10.306 149 HG12 VAL 17 2HG1 VAL 17 -18.868 -4.775 -9.802 150 HG13 VAL 17 3HG1 VAL 17 -19.175 -6.104 -8.683 151 HG21 VAL 17 3HG2 VAL 17 -16.335 -4.277 -10.464 152 HG22 VAL 17 1HG2 VAL 17 -16.152 -5.983 -10.883 153 HG23 VAL 17 2HG2 VAL 17 -15.072 -5.244 -9.700 154 H ARG 18 H ARG 18 -15.358 -6.655 -7.473 155 HA ARG 18 HA ARG 18 -13.503 -5.554 -5.566 156 HB2 ARG 18 2HB ARG 18 -13.239 -8.046 -7.302 157 HB3 ARG 18 3HB ARG 18 -12.323 -7.690 -5.842 158 HG2 ARG 18 2HG ARG 18 -15.268 -8.362 -6.048 159 HG3 ARG 18 3HG ARG 18 -14.001 -9.305 -5.278 160 HD2 ARG 18 2HD ARG 18 -15.054 -6.623 -4.332 161 HD3 ARG 18 3HD ARG 18 -15.398 -8.189 -3.600 162 HE ARG 18 HE ARG 18 -12.739 -6.871 -3.631 163 HH11 ARG 18 1HH1 ARG 18 -15.032 -9.015 -2.080 164 HH12 ARG 18 2HH1 ARG 18 -14.053 -9.224 -0.662 165 HH21 ARG 18 1HH2 ARG 18 -11.475 -7.138 -1.780 166 HH22 ARG 18 2HH2 ARG 18 -12.048 -8.141 -0.481 167 H LEU 19 H LEU 19 -11.025 -6.567 -6.789 168 HA LEU 19 HA LEU 19 -10.271 -4.197 -8.241 169 HB2 LEU 19 2HB LEU 19 -7.952 -5.248 -8.181 170 HB3 LEU 19 3HB LEU 19 -8.704 -4.866 -6.654 171 HG LEU 19 HG LEU 19 -9.313 -7.387 -6.498 172 HD11 LEU 19 1HD1 LEU 19 -8.883 -8.054 -8.795 173 HD12 LEU 19 2HD1 LEU 19 -7.851 -8.952 -7.688 174 HD13 LEU 19 3HD1 LEU 19 -7.179 -7.621 -8.635 175 HD21 LEU 19 3HD2 LEU 19 -6.402 -6.526 -6.293 176 HD22 LEU 19 1HD2 LEU 19 -7.107 -7.956 -5.528 177 HD23 LEU 19 2HD2 LEU 19 -7.644 -6.349 -5.050 178 H ALA 20 H ALA 20 -12.137 -5.656 -9.754 179 HA ALA 20 HA ALA 20 -11.089 -7.073 -11.930 180 HB1 ALA 20 3HB ALA 20 -13.196 -6.512 -13.053 181 HB2 ALA 20 1HB ALA 20 -13.532 -5.292 -11.824 182 HB3 ALA 20 2HB ALA 20 -13.483 -6.998 -11.380 183 H SER 21 H SER 21 -11.136 -3.660 -11.175 184 HA SER 21 HA SER 21 -10.589 -2.415 -13.586 185 HB2 SER 21 2HB SER 21 -9.297 -0.762 -12.090 186 HB3 SER 21 3HB SER 21 -10.967 -1.086 -11.620 187 HG SER 21 HG SER 21 -8.754 -1.407 -10.184 188 H ASP 22 H ASP 22 -8.106 -3.501 -11.208 189 HA ASP 22 HA ASP 22 -6.785 -5.209 -13.033 190 HB2 ASP 22 2HB ASP 22 -5.872 -3.080 -13.951 191 HB3 ASP 22 3HB ASP 22 -5.245 -2.661 -12.367 192 H THR 23 H THR 23 -5.412 -3.149 -10.430 193 HA THR 23 HA THR 23 -5.674 -5.322 -8.479 194 HB THR 23 HB THR 23 -2.942 -4.006 -8.867 195 HG1 THR 23 HG1 THR 23 -3.461 -5.299 -10.704 196 HG21 THR 23 3HG2 THR 23 -3.405 -4.976 -6.624 197 HG22 THR 23 1HG2 THR 23 -2.157 -5.883 -7.473 198 HG23 THR 23 2HG2 THR 23 -3.799 -6.526 -7.378 199 H ARG 24 H ARG 24 -6.574 -4.375 -6.728 200 HA ARG 24 HA ARG 24 -6.162 -1.489 -6.199 201 HB2 ARG 24 2HB ARG 24 -8.489 -3.331 -5.504 202 HB3 ARG 24 3HB ARG 24 -8.336 -1.699 -4.873 203 HG2 ARG 24 2HG ARG 24 -8.485 -2.333 -7.834 204 HG3 ARG 24 3HG ARG 24 -9.891 -1.947 -6.840 205 HD2 ARG 24 2HD ARG 24 -8.782 0.244 -6.281 206 HD3 ARG 24 3HD ARG 24 -7.530 -0.153 -7.464 207 HE ARG 24 HE ARG 24 -10.209 -0.293 -8.520 208 HH11 ARG 24 1HH1 ARG 24 -7.478 1.849 -7.987 209 HH12 ARG 24 2HH1 ARG 24 -8.043 3.049 -9.103 210 HH21 ARG 24 1HH2 ARG 24 -10.944 1.288 -9.979 211 HH22 ARG 24 2HH2 ARG 24 -10.005 2.724 -10.245 212 H ILE 25 H ILE 25 -5.599 -0.803 -4.191 213 HA ILE 25 HA ILE 25 -5.436 -2.624 -1.904 214 HB ILE 25 HB ILE 25 -3.197 -2.832 -2.898 215 HG12 ILE 25 2HG1 ILE 25 -3.054 -0.992 -0.455 216 HG13 ILE 25 3HG1 ILE 25 -3.351 -2.724 -0.387 217 HG21 ILE 25 1HG2 ILE 25 -1.698 -0.883 -3.237 218 HG22 ILE 25 2HG2 ILE 25 -3.014 0.206 -2.799 219 HG23 ILE 25 3HG2 ILE 25 -3.139 -0.780 -4.256 220 HD11 ILE 25 3HD1 ILE 25 -1.076 -2.214 0.201 221 HD12 ILE 25 1HD1 ILE 25 -0.825 -1.372 -1.327 222 HD13 ILE 25 2HD1 ILE 25 -1.105 -3.115 -1.315 223 H ASN 26 H ASN 26 -5.670 -1.534 0.069 224 HA ASN 26 HA ASN 26 -6.389 1.324 -0.058 225 HB2 ASN 26 2HB ASN 26 -6.670 -0.744 2.175 226 HB3 ASN 26 3HB ASN 26 -7.157 0.944 2.313 227 HD21 ASN 26 1HD2 ASN 26 -7.847 -2.117 0.728 228 HD22 ASN 26 2HD2 ASN 26 -9.446 -1.701 0.215 229 H VAL 27 H VAL 27 -4.578 2.509 -0.089 230 HA VAL 27 HA VAL 27 -2.162 1.757 1.386 231 HB VAL 27 HB VAL 27 -2.624 4.102 -0.529 232 HG11 VAL 27 1HG1 VAL 27 -0.030 2.966 0.591 233 HG12 VAL 27 2HG1 VAL 27 -0.747 4.527 0.990 234 HG13 VAL 27 3HG1 VAL 27 -0.146 4.231 -0.640 235 HG21 VAL 27 3HG2 VAL 27 -1.413 2.737 -2.210 236 HG22 VAL 27 1HG2 VAL 27 -2.915 1.965 -1.696 237 HG23 VAL 27 2HG2 VAL 27 -1.366 1.384 -1.077 238 H VAL 28 H VAL 28 -2.043 2.401 3.430 239 HA VAL 28 HA VAL 28 -3.490 4.791 4.378 240 HB VAL 28 HB VAL 28 -2.244 2.519 6.013 241 HG11 VAL 28 1HG1 VAL 28 -2.509 4.583 7.300 242 HG12 VAL 28 2HG1 VAL 28 -3.649 3.362 7.866 243 HG13 VAL 28 3HG1 VAL 28 -4.209 4.687 6.840 244 HG21 VAL 28 3HG2 VAL 28 -4.031 1.612 4.587 245 HG22 VAL 28 1HG2 VAL 28 -5.155 2.832 5.183 246 HG23 VAL 28 2HG2 VAL 28 -4.521 1.601 6.283 247 H ASP 29 H ASP 29 -2.130 6.520 4.182 248 HA ASP 29 HA ASP 29 0.641 6.630 4.539 249 HB2 ASP 29 2HB ASP 29 -1.496 8.747 5.028 250 HB3 ASP 29 3HB ASP 29 0.230 9.087 5.145 251 HA PRO 30 HA PRO 30 0.458 5.627 8.959 252 HB2 PRO 30 2HB PRO 30 3.080 5.099 9.387 253 HB3 PRO 30 3HB PRO 30 2.073 4.022 8.408 254 HG2 PRO 30 2HG PRO 30 3.997 6.155 7.502 255 HG3 PRO 30 3HG PRO 30 3.802 4.499 6.889 256 HD2 PRO 30 2HD PRO 30 2.696 6.715 5.676 257 HD3 PRO 30 3HD PRO 30 2.002 5.082 5.548 258 H GLU 31 H GLU 31 1.762 8.378 7.566 259 HA GLU 31 HA GLU 31 2.768 9.585 10.040 260 HB2 GLU 31 2HB GLU 31 3.478 11.450 8.447 261 HB3 GLU 31 3HB GLU 31 4.258 9.893 8.212 262 HG2 GLU 31 2HG GLU 31 2.535 9.467 6.350 263 HG3 GLU 31 3HG GLU 31 2.110 11.171 6.497 264 H THR 32 H THR 32 0.484 10.454 7.405 265 HA THR 32 HA THR 32 -0.845 12.446 9.067 266 HB THR 32 HB THR 32 -2.175 12.892 6.971 267 HG1 THR 32 HG1 THR 32 -0.733 11.596 5.177 268 HG21 THR 32 3HG2 THR 32 0.838 12.831 6.571 269 HG22 THR 32 1HG2 THR 32 -0.074 14.131 7.345 270 HG23 THR 32 2HG2 THR 32 -0.301 13.793 5.625 271 H GLY 33 H GLY 33 -1.445 9.208 7.860 272 HA2 GLY 33 2HA GLY 33 -2.890 7.674 8.957 273 HA3 GLY 33 3HA GLY 33 -3.919 9.002 9.469 274 H LYS 34 H LYS 34 -3.292 9.777 6.374 275 HA LYS 34 HA LYS 34 -6.007 9.326 5.641 276 HB2 LYS 34 2HB LYS 34 -3.783 10.250 3.784 277 HB3 LYS 34 3HB LYS 34 -5.509 10.546 3.606 278 HG2 LYS 34 2HG LYS 34 -3.660 11.736 5.693 279 HG3 LYS 34 3HG LYS 34 -4.389 12.576 4.323 280 HD2 LYS 34 2HD LYS 34 -6.625 12.300 5.314 281 HD3 LYS 34 3HD LYS 34 -5.943 11.369 6.653 282 HE2 LYS 34 2HE LYS 34 -4.597 13.389 7.300 283 HE3 LYS 34 3HE LYS 34 -5.424 14.303 6.036 284 HZ1 LYS 34 3HZ LYS 34 -7.505 13.955 7.161 285 HZ2 LYS 34 1HZ LYS 34 -6.396 14.613 8.255 286 HZ3 LYS 34 2HZ LYS 34 -6.774 12.969 8.322 287 H VAL 35 H VAL 35 -6.885 7.596 4.701 288 HA VAL 35 HA VAL 35 -5.245 5.573 3.317 289 HB VAL 35 HB VAL 35 -8.247 5.461 3.912 290 HG11 VAL 35 1HG1 VAL 35 -7.969 3.008 3.669 291 HG12 VAL 35 2HG1 VAL 35 -6.266 3.238 3.254 292 HG13 VAL 35 3HG1 VAL 35 -7.528 3.870 2.195 293 HG21 VAL 35 3HG2 VAL 35 -7.705 4.107 5.910 294 HG22 VAL 35 1HG2 VAL 35 -7.057 5.744 6.040 295 HG23 VAL 35 2HG2 VAL 35 -5.984 4.398 5.649 296 H GLU 36 H GLU 36 -5.251 5.416 1.110 297 HA GLU 36 HA GLU 36 -7.577 6.323 -0.438 298 HB2 GLU 36 2HB GLU 36 -5.912 8.154 -0.622 299 HB3 GLU 36 3HB GLU 36 -4.692 7.005 -1.147 300 HG2 GLU 36 2HG GLU 36 -5.524 8.252 -3.050 301 HG3 GLU 36 3HG GLU 36 -5.990 6.560 -3.206 302 H ILE 37 H ILE 37 -8.096 4.958 -2.070 303 HA ILE 37 HA ILE 37 -6.760 2.390 -2.199 304 HB ILE 37 HB ILE 37 -9.125 3.352 -3.884 305 HG12 ILE 37 2HG1 ILE 37 -9.157 1.844 -1.208 306 HG13 ILE 37 3HG1 ILE 37 -9.650 3.516 -1.445 307 HG21 ILE 37 1HG2 ILE 37 -9.572 0.914 -4.181 308 HG22 ILE 37 2HG2 ILE 37 -8.125 0.533 -3.243 309 HG23 ILE 37 3HG2 ILE 37 -7.980 1.356 -4.798 310 HD11 ILE 37 3HD1 ILE 37 -11.546 2.023 -1.239 311 HD12 ILE 37 1HD1 ILE 37 -10.995 1.104 -2.640 312 HD13 ILE 37 2HD1 ILE 37 -11.504 2.785 -2.828 313 H ALA 38 H ALA 38 -5.386 1.730 -3.787 314 HA ALA 38 HA ALA 38 -4.709 3.564 -6.002 315 HB1 ALA 38 3HB ALA 38 -2.334 3.247 -5.484 316 HB2 ALA 38 1HB ALA 38 -2.749 2.215 -4.117 317 HB3 ALA 38 2HB ALA 38 -3.181 3.925 -4.092 318 H GLU 39 H GLU 39 -3.241 2.524 -7.571 319 HA GLU 39 HA GLU 39 -4.048 -0.252 -8.191 320 HB2 GLU 39 2HB GLU 39 -3.238 2.151 -9.859 321 HB3 GLU 39 3HB GLU 39 -3.115 0.537 -10.541 322 HG2 GLU 39 2HG GLU 39 -5.669 1.733 -9.428 323 HG3 GLU 39 3HG GLU 39 -5.222 1.717 -11.136 324 H ILE 40 H ILE 40 -2.526 -1.847 -7.944 325 HA ILE 40 HA ILE 40 0.196 -1.159 -7.185 326 HB ILE 40 HB ILE 40 -1.174 -3.866 -7.452 327 HG12 ILE 40 2HG1 ILE 40 -0.476 -2.225 -4.971 328 HG13 ILE 40 3HG1 ILE 40 -2.090 -2.474 -5.626 329 HG21 ILE 40 1HG2 ILE 40 1.576 -3.272 -6.294 330 HG22 ILE 40 2HG2 ILE 40 1.245 -4.154 -7.786 331 HG23 ILE 40 3HG2 ILE 40 0.757 -4.834 -6.236 332 HD11 ILE 40 3HD1 ILE 40 -1.921 -4.864 -5.092 333 HD12 ILE 40 1HD1 ILE 40 -1.727 -3.836 -3.672 334 HD13 ILE 40 2HD1 ILE 40 -0.314 -4.591 -4.410 335 H ARG 41 H ARG 41 1.574 -0.692 -8.731 336 HA ARG 41 HA ARG 41 1.528 -1.752 -11.419 337 HB2 ARG 41 2HB ARG 41 3.645 0.020 -10.136 338 HB3 ARG 41 3HB ARG 41 3.362 -0.212 -11.859 339 HG2 ARG 41 2HG ARG 41 1.585 1.239 -9.878 340 HG3 ARG 41 3HG ARG 41 2.484 1.935 -11.228 341 HD2 ARG 41 2HD ARG 41 0.090 0.076 -11.393 342 HD3 ARG 41 3HD ARG 41 0.135 1.790 -11.805 343 HE ARG 41 HE ARG 41 1.896 1.000 -13.532 344 HH11 ARG 41 1HH1 ARG 41 -1.031 -0.774 -12.706 345 HH12 ARG 41 2HH1 ARG 41 -1.112 -1.571 -14.241 346 HH21 ARG 41 1HH2 ARG 41 1.792 -0.079 -15.510 347 HH22 ARG 41 2HH2 ARG 41 0.481 -1.174 -15.842 348 H ASN 42 H ASN 42 4.019 -1.768 -8.818 349 HA ASN 42 HA ASN 42 5.173 -4.287 -9.907 350 HB2 ASN 42 2HB ASN 42 6.830 -2.469 -9.711 351 HB3 ASN 42 3HB ASN 42 6.388 -2.198 -8.033 352 HD21 ASN 42 1HD2 ASN 42 8.549 -2.535 -7.378 353 HD22 ASN 42 2HD2 ASN 42 9.273 -4.103 -7.350 354 H VAL 43 H VAL 43 5.034 -6.112 -8.658 355 HA VAL 43 HA VAL 43 3.457 -5.943 -6.170 356 HB VAL 43 HB VAL 43 2.911 -8.311 -6.600 357 HG11 VAL 43 1HG1 VAL 43 2.492 -6.556 -9.060 358 HG12 VAL 43 2HG1 VAL 43 1.475 -6.575 -7.616 359 HG13 VAL 43 3HG1 VAL 43 1.562 -8.000 -8.650 360 HG21 VAL 43 3HG2 VAL 43 3.650 -9.426 -8.683 361 HG22 VAL 43 1HG2 VAL 43 5.030 -9.030 -7.657 362 HG23 VAL 43 2HG2 VAL 43 4.673 -8.044 -9.079 363 H VAL 44 H VAL 44 6.694 -6.177 -6.931 364 HA VAL 44 HA VAL 44 7.329 -7.836 -4.580 365 HB VAL 44 HB VAL 44 7.399 -9.440 -6.373 366 HG11 VAL 44 1HG1 VAL 44 8.816 -9.219 -8.399 367 HG12 VAL 44 2HG1 VAL 44 9.249 -7.578 -7.914 368 HG13 VAL 44 3HG1 VAL 44 7.577 -7.961 -8.329 369 HG21 VAL 44 3HG2 VAL 44 9.742 -10.229 -6.253 370 HG22 VAL 44 1HG2 VAL 44 9.188 -9.646 -4.682 371 HG23 VAL 44 2HG2 VAL 44 10.258 -8.647 -5.667 372 H GLU 45 H GLU 45 8.145 -6.209 -3.396 373 HA GLU 45 HA GLU 45 9.757 -5.016 -2.424 374 HB2 GLU 45 2HB GLU 45 11.345 -6.887 -4.178 375 HB3 GLU 45 3HB GLU 45 12.193 -5.690 -3.212 376 HG2 GLU 45 2HG GLU 45 10.326 -7.829 -2.128 377 HG3 GLU 45 3HG GLU 45 12.087 -7.844 -2.049 378 H ASN 46 H ASN 46 12.146 -3.902 -3.161 379 HA ASN 46 HA ASN 46 11.470 -1.651 -4.842 380 HB2 ASN 46 2HB ASN 46 13.669 -0.773 -4.205 381 HB3 ASN 46 3HB ASN 46 12.869 -1.409 -2.776 382 HD21 ASN 46 1HD2 ASN 46 13.637 -3.417 -1.893 383 HD22 ASN 46 2HD2 ASN 46 15.228 -3.977 -2.214 384 H THR 47 H THR 47 12.411 -4.754 -5.572 385 HA THR 47 HA THR 47 14.376 -4.219 -7.600 386 HB THR 47 HB THR 47 14.519 -6.351 -6.405 387 HG1 THR 47 HG1 THR 47 15.338 -7.057 -8.205 388 HG21 THR 47 3HG2 THR 47 11.871 -7.110 -7.699 389 HG22 THR 47 1HG2 THR 47 12.120 -6.792 -5.978 390 HG23 THR 47 2HG2 THR 47 12.902 -8.175 -6.743 391 H ALA 48 H ALA 48 14.102 -4.076 -9.696 392 HA ALA 48 HA ALA 48 11.508 -4.638 -11.021 393 HB1 ALA 48 3HB ALA 48 11.780 -2.188 -10.799 394 HB2 ALA 48 1HB ALA 48 11.890 -2.682 -12.490 395 HB3 ALA 48 2HB ALA 48 13.355 -2.283 -11.590 396 H ASN 49 H ASN 49 14.020 -6.142 -10.554 397 HA ASN 49 HA ASN 49 14.940 -6.626 -13.324 398 HB2 ASN 49 2HB ASN 49 16.689 -6.146 -11.584 399 HB3 ASN 49 3HB ASN 49 16.155 -7.549 -10.671 400 HD21 ASN 49 1HD2 ASN 49 18.776 -6.954 -11.780 401 HD22 ASN 49 2HD2 ASN 49 19.177 -8.270 -12.824 402 HA PRO 50 HA PRO 50 11.961 -10.036 -12.455 403 HB2 PRO 50 2HB PRO 50 10.792 -10.218 -14.853 404 HB3 PRO 50 3HB PRO 50 10.500 -8.811 -13.824 405 HG2 PRO 50 2HG PRO 50 12.380 -9.076 -16.170 406 HG3 PRO 50 3HG PRO 50 11.235 -7.765 -15.798 407 HD2 PRO 50 2HD PRO 50 13.936 -7.677 -15.174 408 HD3 PRO 50 3HD PRO 50 12.691 -6.750 -14.314 409 H HIS 51 H HIS 51 14.930 -10.167 -13.803 410 HA HIS 51 HA HIS 51 14.847 -12.574 -15.339 411 HB2 HIS 51 2HB HIS 51 16.740 -11.010 -15.529 412 HB3 HIS 51 3HB HIS 51 17.177 -11.294 -13.847 413 HD1 HIS 51 HD1 HIS 51 18.601 -13.346 -13.347 414 HD2 HIS 51 HD2 HIS 51 17.307 -13.216 -17.293 415 HE1 HIS 51 HE1 HIS 51 19.865 -15.158 -14.532 416 HE2 HIS 51 HE2 HIS 51 19.062 -15.067 -16.917 417 H PHE 52 H PHE 52 15.650 -11.892 -11.919 418 HA PHE 52 HA PHE 52 15.878 -14.746 -11.327 419 HB2 PHE 52 2HB PHE 52 16.721 -14.133 -9.155 420 HB3 PHE 52 3HB PHE 52 17.531 -13.143 -10.355 421 HD1 PHE 52 HD1 PHE 52 16.829 -10.682 -10.602 422 HD2 PHE 52 HD2 PHE 52 15.507 -13.119 -7.341 423 HE1 PHE 52 HE1 PHE 52 16.256 -8.672 -9.310 424 HE2 PHE 52 HE2 PHE 52 14.935 -11.097 -6.067 425 HZ PHE 52 HZ PHE 52 15.309 -8.871 -7.051 426 H VAL 53 H VAL 53 13.553 -12.147 -10.925 427 HA VAL 53 HA VAL 53 11.782 -13.978 -9.412 428 HB VAL 53 HB VAL 53 12.334 -12.119 -7.973 429 HG11 VAL 53 1HG1 VAL 53 11.798 -9.761 -8.493 430 HG12 VAL 53 2HG1 VAL 53 11.349 -10.219 -10.138 431 HG13 VAL 53 3HG1 VAL 53 13.017 -10.407 -9.589 432 HG21 VAL 53 3HG2 VAL 53 10.065 -11.284 -7.450 433 HG22 VAL 53 1HG2 VAL 53 10.034 -13.003 -7.847 434 HG23 VAL 53 2HG2 VAL 53 9.492 -11.812 -9.031 435 H ARG 54 H ARG 54 10.612 -14.906 -10.971 436 HA ARG 54 HA ARG 54 8.752 -13.191 -12.521 437 HB2 ARG 54 2HB ARG 54 9.763 -16.009 -13.056 438 HB3 ARG 54 3HB ARG 54 8.315 -15.388 -13.833 439 HG2 ARG 54 2HG ARG 54 11.081 -14.176 -14.077 440 HG3 ARG 54 3HG ARG 54 10.299 -15.195 -15.286 441 HD2 ARG 54 2HD ARG 54 8.521 -13.513 -15.568 442 HD3 ARG 54 3HD ARG 54 9.270 -12.493 -14.332 443 HE ARG 54 HE ARG 54 11.192 -13.007 -16.292 444 HH11 ARG 54 1HH1 ARG 54 8.180 -11.229 -16.017 445 HH12 ARG 54 2HH1 ARG 54 8.600 -10.104 -17.268 446 HH21 ARG 54 1HH2 ARG 54 11.720 -11.510 -17.920 447 HH22 ARG 54 2HH2 ARG 54 10.590 -10.263 -18.337 448 H ARG 55 H ARG 55 8.995 -14.963 -9.709 449 HA ARG 55 HA ARG 55 6.247 -15.871 -9.549 450 HB2 ARG 55 2HB ARG 55 8.260 -15.348 -7.315 451 HB3 ARG 55 3HB ARG 55 6.739 -16.209 -7.139 452 HG2 ARG 55 2HG ARG 55 7.546 -18.062 -8.452 453 HG3 ARG 55 3HG ARG 55 8.994 -17.163 -8.918 454 HD2 ARG 55 2HD ARG 55 8.290 -18.146 -6.124 455 HD3 ARG 55 3HD ARG 55 9.567 -18.777 -7.171 456 HE ARG 55 HE ARG 55 9.587 -15.995 -6.120 457 HH11 ARG 55 1HH1 ARG 55 11.301 -19.019 -6.647 458 HH12 ARG 55 2HH1 ARG 55 12.819 -18.381 -6.107 459 HH21 ARG 55 1HH2 ARG 55 11.573 -15.165 -5.459 460 HH22 ARG 55 2HH2 ARG 55 12.978 -16.187 -5.429 461 H ASN 56 H ASN 56 5.288 -13.877 -10.340 462 HA ASN 56 HA ASN 56 5.423 -11.493 -8.666 463 HB2 ASN 56 2HB ASN 56 3.978 -12.077 -11.279 464 HB3 ASN 56 3HB ASN 56 3.758 -10.570 -10.391 465 HD21 ASN 56 1HD2 ASN 56 4.683 -9.160 -11.755 466 HD22 ASN 56 2HD2 ASN 56 6.338 -9.204 -12.250 467 H ILE 57 H ILE 57 4.668 -13.003 -6.921 468 HA ILE 57 HA ILE 57 1.720 -13.006 -6.637 469 HB ILE 57 HB ILE 57 3.826 -14.516 -5.001 470 HG12 ILE 57 2HG1 ILE 57 1.897 -15.630 -7.102 471 HG13 ILE 57 3HG1 ILE 57 3.622 -15.382 -7.354 472 HG21 ILE 57 1HG2 ILE 57 0.785 -14.707 -4.911 473 HG22 ILE 57 2HG2 ILE 57 1.821 -14.004 -3.669 474 HG23 ILE 57 3HG2 ILE 57 1.897 -15.733 -3.999 475 HD11 ILE 57 3HD1 ILE 57 3.117 -17.699 -6.948 476 HD12 ILE 57 1HD1 ILE 57 2.361 -17.303 -5.406 477 HD13 ILE 57 2HD1 ILE 57 4.098 -17.059 -5.629 478 H ILE 58 H ILE 58 1.022 -11.253 -5.518 479 HA ILE 58 HA ILE 58 2.640 -9.553 -3.918 480 HB ILE 58 HB ILE 58 -0.403 -9.846 -3.787 481 HG12 ILE 58 2HG1 ILE 58 1.251 -7.933 -5.502 482 HG13 ILE 58 3HG1 ILE 58 0.438 -9.367 -6.111 483 HG21 ILE 58 1HG2 ILE 58 1.394 -7.532 -2.943 484 HG22 ILE 58 2HG2 ILE 58 0.526 -8.611 -1.855 485 HG23 ILE 58 3HG2 ILE 58 -0.370 -7.514 -2.909 486 HD11 ILE 58 3HD1 ILE 58 -0.877 -6.944 -4.927 487 HD12 ILE 58 1HD1 ILE 58 -1.713 -8.383 -5.517 488 HD13 ILE 58 2HD1 ILE 58 -0.791 -7.376 -6.634 489 H THR 59 H THR 59 3.406 -9.988 -1.972 490 HA THR 59 HA THR 59 2.117 -12.007 -0.220 491 HB THR 59 HB THR 59 5.100 -11.340 -0.417 492 HG1 THR 59 HG1 THR 59 4.153 -12.429 -2.292 493 HG21 THR 59 3HG2 THR 59 3.675 -13.627 1.013 494 HG22 THR 59 1HG2 THR 59 4.451 -12.248 1.801 495 HG23 THR 59 2HG2 THR 59 5.423 -13.415 0.903 496 H ARG 60 H ARG 60 1.972 -11.478 1.976 497 HA ARG 60 HA ARG 60 1.879 -8.791 2.818 498 HB2 ARG 60 2HB ARG 60 0.620 -10.513 4.013 499 HB3 ARG 60 3HB ARG 60 2.095 -11.368 4.445 500 HG2 ARG 60 2HG ARG 60 2.790 -9.401 5.814 501 HG3 ARG 60 3HG ARG 60 1.243 -8.641 5.453 502 HD2 ARG 60 2HD ARG 60 0.037 -10.257 6.711 503 HD3 ARG 60 3HD ARG 60 1.428 -11.352 6.792 504 HE ARG 60 HE ARG 60 1.320 -8.710 8.141 505 HH11 ARG 60 1HH1 ARG 60 2.098 -12.138 8.273 506 HH12 ARG 60 2HH1 ARG 60 2.993 -11.997 9.751 507 HH21 ARG 60 1HH2 ARG 60 2.541 -8.561 10.071 508 HH22 ARG 60 2HH2 ARG 60 3.234 -9.991 10.763 509 H GLY 61 H GLY 61 3.417 -7.462 3.760 510 HA2 GLY 61 2HA GLY 61 5.467 -6.830 4.694 511 HA3 GLY 61 3HA GLY 61 6.110 -8.439 4.400 512 H ALA 62 H ALA 62 5.454 -8.666 1.653 513 HA ALA 62 HA ALA 62 7.699 -7.515 0.414 514 HB1 ALA 62 3HB ALA 62 6.764 -8.374 -1.702 515 HB2 ALA 62 1HB ALA 62 5.215 -8.663 -0.903 516 HB3 ALA 62 2HB ALA 62 6.642 -9.575 -0.412 517 H VAL 63 H VAL 63 8.016 -5.677 -0.719 518 HA VAL 63 HA VAL 63 6.165 -3.518 -0.403 519 HB VAL 63 HB VAL 63 8.776 -3.606 -1.968 520 HG11 VAL 63 1HG1 VAL 63 7.382 -1.804 -2.846 521 HG12 VAL 63 2HG1 VAL 63 8.721 -1.130 -1.920 522 HG13 VAL 63 3HG1 VAL 63 7.106 -1.186 -1.212 523 HG21 VAL 63 3HG2 VAL 63 9.735 -2.414 -0.033 524 HG22 VAL 63 1HG2 VAL 63 9.120 -3.999 0.417 525 HG23 VAL 63 2HG2 VAL 63 8.191 -2.547 0.815 526 H VAL 64 H VAL 64 4.491 -3.149 -1.655 527 HA VAL 64 HA VAL 64 4.595 -3.773 -4.535 528 HB VAL 64 HB VAL 64 2.124 -3.465 -4.525 529 HG11 VAL 64 1HG1 VAL 64 1.566 -5.595 -3.399 530 HG12 VAL 64 2HG1 VAL 64 3.119 -5.561 -2.561 531 HG13 VAL 64 3HG1 VAL 64 3.070 -5.721 -4.317 532 HG21 VAL 64 3HG2 VAL 64 2.372 -3.255 -1.494 533 HG22 VAL 64 1HG2 VAL 64 0.859 -3.410 -2.394 534 HG23 VAL 64 2HG2 VAL 64 1.853 -1.967 -2.583 535 H GLU 65 H GLU 65 4.693 -2.153 -5.946 536 HA GLU 65 HA GLU 65 4.761 0.637 -4.981 537 HB2 GLU 65 2HB GLU 65 6.751 -0.005 -6.281 538 HB3 GLU 65 3HB GLU 65 5.736 -0.617 -7.586 539 HG2 GLU 65 2HG GLU 65 4.893 1.673 -8.007 540 HG3 GLU 65 3HG GLU 65 5.940 2.289 -6.723 541 H THR 66 H THR 66 3.188 2.013 -5.693 542 HA THR 66 HA THR 66 1.034 0.911 -7.402 543 HB THR 66 HB THR 66 -0.595 2.215 -6.079 544 HG1 THR 66 HG1 THR 66 1.243 2.788 -4.054 545 HG21 THR 66 3HG2 THR 66 -0.153 -0.085 -5.299 546 HG22 THR 66 1HG2 THR 66 -0.519 0.979 -3.942 547 HG23 THR 66 2HG2 THR 66 1.151 0.507 -4.265 548 H ASN 67 H ASN 67 -0.396 2.901 -8.151 549 HA ASN 67 HA ASN 67 1.063 4.658 -9.777 550 HB2 ASN 67 2HB ASN 67 -1.067 5.896 -10.080 551 HB3 ASN 67 3HB ASN 67 -1.302 4.157 -10.230 552 HD21 ASN 67 1HD2 ASN 67 -3.244 6.287 -9.584 553 HD22 ASN 67 2HD2 ASN 67 -3.951 5.836 -8.074 554 H LEU 68 H LEU 68 0.343 4.815 -6.386 555 HA LEU 68 HA LEU 68 0.874 7.673 -6.079 556 HB2 LEU 68 2HB LEU 68 0.288 5.465 -4.061 557 HB3 LEU 68 3HB LEU 68 0.408 7.173 -3.661 558 HG LEU 68 HG LEU 68 -1.719 5.887 -5.432 559 HD11 LEU 68 1HD1 LEU 68 -2.057 5.392 -3.050 560 HD12 LEU 68 2HD1 LEU 68 -3.308 6.473 -3.662 561 HD13 LEU 68 3HD1 LEU 68 -1.994 7.117 -2.674 562 HD21 LEU 68 3HD2 LEU 68 -1.422 8.805 -4.635 563 HD22 LEU 68 1HD2 LEU 68 -2.788 8.105 -5.507 564 HD23 LEU 68 2HD2 LEU 68 -1.197 8.139 -6.255 565 H GLY 69 H GLY 69 2.219 4.550 -5.011 566 HA2 GLY 69 2HA GLY 69 4.897 4.942 -5.376 567 HA3 GLY 69 3HA GLY 69 4.569 5.693 -3.813 568 H ASN 70 H ASN 70 6.134 3.984 -3.154 569 HA ASN 70 HA ASN 70 5.411 1.199 -3.344 570 HB2 ASN 70 2HB ASN 70 7.617 2.601 -1.768 571 HB3 ASN 70 3HB ASN 70 7.498 0.863 -2.042 572 HD21 ASN 70 1HD2 ASN 70 8.003 0.033 -4.102 573 HD22 ASN 70 2HD2 ASN 70 8.759 0.988 -5.328 574 H VAL 71 H VAL 71 4.696 -0.162 -1.678 575 HA VAL 71 HA VAL 71 3.756 1.046 0.858 576 HB VAL 71 HB VAL 71 2.097 -0.797 -0.960 577 HG11 VAL 71 1HG1 VAL 71 1.242 0.715 1.536 578 HG12 VAL 71 2HG1 VAL 71 1.514 -1.023 1.407 579 HG13 VAL 71 3HG1 VAL 71 0.198 -0.274 0.509 580 HG21 VAL 71 3HG2 VAL 71 0.653 1.149 -1.476 581 HG22 VAL 71 1HG2 VAL 71 2.301 1.383 -2.060 582 HG23 VAL 71 2HG2 VAL 71 1.758 2.211 -0.599 583 H ARG 72 H ARG 72 3.699 -0.406 2.601 584 HA ARG 72 HA ARG 72 4.831 -3.121 2.300 585 HB2 ARG 72 2HB ARG 72 4.178 -1.424 4.755 586 HB3 ARG 72 3HB ARG 72 4.578 -3.131 4.884 587 HG2 ARG 72 2HG ARG 72 6.383 -1.014 3.737 588 HG3 ARG 72 3HG ARG 72 6.484 -1.642 5.378 589 HD2 ARG 72 2HD ARG 72 7.001 -3.875 4.514 590 HD3 ARG 72 3HD ARG 72 6.829 -3.299 2.855 591 HE ARG 72 HE ARG 72 8.751 -1.720 4.163 592 HH11 ARG 72 1HH1 ARG 72 8.424 -5.029 3.004 593 HH12 ARG 72 2HH1 ARG 72 10.114 -5.201 2.667 594 HH21 ARG 72 1HH2 ARG 72 10.961 -1.970 3.682 595 HH22 ARG 72 2HH2 ARG 72 11.548 -3.481 3.073 596 H VAL 73 H VAL 73 3.384 -4.767 2.026 597 HA VAL 73 HA VAL 73 0.540 -4.282 2.337 598 HB VAL 73 HB VAL 73 1.911 -6.958 1.764 599 HG11 VAL 73 1HG1 VAL 73 -0.396 -7.223 2.560 600 HG12 VAL 73 2HG1 VAL 73 -0.298 -7.622 0.845 601 HG13 VAL 73 3HG1 VAL 73 -0.976 -6.073 1.351 602 HG21 VAL 73 3HG2 VAL 73 1.419 -6.525 -0.620 603 HG22 VAL 73 1HG2 VAL 73 2.520 -5.315 0.042 604 HG23 VAL 73 2HG2 VAL 73 0.820 -4.916 -0.210 605 H THR 74 H THR 74 0.082 -3.934 4.470 606 HA THR 74 HA THR 74 1.021 -5.494 6.656 607 HB THR 74 HB THR 74 -0.692 -4.204 7.964 608 HG1 THR 74 HG1 THR 74 -1.997 -2.729 6.854 609 HG21 THR 74 3HG2 THR 74 1.527 -3.187 7.560 610 HG22 THR 74 1HG2 THR 74 0.263 -1.956 7.577 611 HG23 THR 74 2HG2 THR 74 0.942 -2.502 6.041 612 H SER 75 H SER 75 -1.845 -5.586 4.633 613 HA SER 75 HA SER 75 -3.300 -7.525 6.210 614 HB2 SER 75 2HB SER 75 -4.481 -5.821 4.863 615 HB3 SER 75 3HB SER 75 -3.783 -6.474 3.384 616 HG SER 75 HG SER 75 -5.100 -8.191 3.502 617 H ARG 76 H ARG 76 -4.078 -9.579 5.217 618 HA ARG 76 HA ARG 76 -2.066 -11.091 3.755 619 HB2 ARG 76 2HB ARG 76 -4.911 -11.841 4.567 620 HB3 ARG 76 3HB ARG 76 -3.704 -12.951 3.920 621 HG2 ARG 76 2HG ARG 76 -2.293 -12.580 5.910 622 HG3 ARG 76 3HG ARG 76 -3.496 -11.464 6.558 623 HD2 ARG 76 2HD ARG 76 -5.150 -13.303 6.626 624 HD3 ARG 76 3HD ARG 76 -3.927 -14.414 6.003 625 HE ARG 76 HE ARG 76 -2.812 -13.293 8.255 626 HH11 ARG 76 1HH1 ARG 76 -5.646 -15.252 7.577 627 HH12 ARG 76 2HH1 ARG 76 -5.678 -15.957 9.159 628 HH21 ARG 76 1HH2 ARG 76 -2.877 -14.217 10.321 629 HH22 ARG 76 2HH2 ARG 76 -4.107 -15.379 10.709 630 HA PRO 77 HA PRO 77 -4.042 -9.207 0.085 631 HB2 PRO 77 2HB PRO 77 -1.983 -9.425 -1.625 632 HB3 PRO 77 3HB PRO 77 -1.890 -8.350 -0.222 633 HG2 PRO 77 2HG PRO 77 -0.699 -11.090 -0.585 634 HG3 PRO 77 3HG PRO 77 0.021 -9.641 0.148 635 HD2 PRO 77 2HD PRO 77 -1.174 -11.721 1.579 636 HD3 PRO 77 3HD PRO 77 -0.920 -10.075 2.197 637 H GLY 78 H GLY 78 -5.427 -11.214 0.357 638 HA2 GLY 78 2HA GLY 78 -5.937 -12.484 -2.061 639 HA3 GLY 78 3HA GLY 78 -4.969 -13.606 -1.109 640 H GLN 79 H GLN 79 -5.983 -12.703 1.463 641 HA GLN 79 HA GLN 79 -8.327 -14.256 1.772 642 HB2 GLN 79 2HB GLN 79 -6.722 -13.799 3.629 643 HB3 GLN 79 3HB GLN 79 -7.218 -12.108 3.635 644 HG2 GLN 79 2HG GLN 79 -9.487 -12.759 4.318 645 HG3 GLN 79 3HG GLN 79 -9.048 -14.465 4.237 646 HE21 GLN 79 1HE2 GLN 79 -9.518 -14.847 6.395 647 HE22 GLN 79 2HE2 GLN 79 -8.579 -14.213 7.698 648 H ASP 80 H ASP 80 -10.224 -13.739 0.938 649 HA ASP 80 HA ASP 80 -12.155 -12.723 0.408 650 HB2 ASP 80 2HB ASP 80 -12.240 -11.600 2.549 651 HB3 ASP 80 3HB ASP 80 -11.065 -10.395 2.037 652 H GLY 81 H GLY 81 -9.132 -11.361 -0.525 653 HA2 GLY 81 2HA GLY 81 -8.613 -10.771 -2.748 654 HA3 GLY 81 3HA GLY 81 -10.276 -10.260 -3.008 655 H VAL 82 H VAL 82 -9.612 -9.035 -0.057 656 HA VAL 82 HA VAL 82 -9.063 -6.389 -1.170 657 HB VAL 82 HB VAL 82 -10.920 -6.551 0.412 658 HG11 VAL 82 1HG1 VAL 82 -10.194 -8.416 1.833 659 HG12 VAL 82 2HG1 VAL 82 -10.634 -7.017 2.811 660 HG13 VAL 82 3HG1 VAL 82 -8.933 -7.405 2.548 661 HG21 VAL 82 3HG2 VAL 82 -9.703 -4.414 0.286 662 HG22 VAL 82 1HG2 VAL 82 -8.623 -4.931 1.585 663 HG23 VAL 82 2HG2 VAL 82 -10.338 -4.674 1.909 664 H ILE 83 H ILE 83 -7.057 -5.734 -1.370 665 HA ILE 83 HA ILE 83 -4.886 -6.682 0.395 666 HB ILE 83 HB ILE 83 -4.670 -4.962 -2.134 667 HG12 ILE 83 2HG1 ILE 83 -4.332 -7.998 -1.916 668 HG13 ILE 83 3HG1 ILE 83 -5.715 -7.193 -2.638 669 HG21 ILE 83 1HG2 ILE 83 -2.549 -6.578 -0.649 670 HG22 ILE 83 2HG2 ILE 83 -2.695 -4.821 -0.661 671 HG23 ILE 83 3HG2 ILE 83 -2.291 -5.678 -2.147 672 HD11 ILE 83 3HD1 ILE 83 -4.215 -8.035 -4.327 673 HD12 ILE 83 1HD1 ILE 83 -2.887 -7.090 -3.657 674 HD13 ILE 83 2HD1 ILE 83 -4.272 -6.273 -4.385 675 H ASN 84 H ASN 84 -3.996 -5.316 1.887 676 HA ASN 84 HA ASN 84 -4.579 -2.414 1.834 677 HB2 ASN 84 2HB ASN 84 -4.816 -4.132 4.350 678 HB3 ASN 84 3HB ASN 84 -5.060 -2.395 4.253 679 HD21 ASN 84 1HD2 ASN 84 -6.830 -4.634 5.122 680 HD22 ASN 84 2HD2 ASN 84 -8.286 -4.435 4.214 681 H GLY 85 H GLY 85 -3.017 -1.154 3.028 682 HA2 GLY 85 2HA GLY 85 -0.718 -2.344 4.258 683 HA3 GLY 85 3HA GLY 85 -0.367 -1.814 2.617 684 H VAL 86 H VAL 86 1.214 -0.586 4.098 685 HA VAL 86 HA VAL 86 0.092 2.090 4.683 686 HB VAL 86 HB VAL 86 1.899 2.417 6.411 687 HG11 VAL 86 1HG1 VAL 86 -0.039 0.152 6.999 688 HG12 VAL 86 2HG1 VAL 86 -0.388 1.878 7.111 689 HG13 VAL 86 3HG1 VAL 86 0.781 1.142 8.211 690 HG21 VAL 86 3HG2 VAL 86 3.507 0.685 5.692 691 HG22 VAL 86 1HG2 VAL 86 2.357 -0.587 6.118 692 HG23 VAL 86 2HG2 VAL 86 3.050 0.438 7.376 693 H LEU 87 H LEU 87 1.118 3.817 3.761 694 HA LEU 87 HA LEU 87 2.733 3.358 1.482 695 HB2 LEU 87 2HB LEU 87 1.131 5.245 1.657 696 HB3 LEU 87 3HB LEU 87 2.121 5.967 2.917 697 HG LEU 87 HG LEU 87 3.999 6.185 1.197 698 HD11 LEU 87 1HD1 LEU 87 3.437 6.053 -1.196 699 HD12 LEU 87 2HD1 LEU 87 1.821 5.464 -0.801 700 HD13 LEU 87 3HD1 LEU 87 3.235 4.483 -0.415 701 HD21 LEU 87 3HD2 LEU 87 2.636 8.114 1.822 702 HD22 LEU 87 1HD2 LEU 87 1.415 7.679 0.621 703 HD23 LEU 87 2HD2 LEU 87 3.030 8.178 0.107 704 H ILE 88 H ILE 88 4.857 3.186 1.304 705 HA ILE 88 HA ILE 88 6.742 4.496 3.179 706 HB ILE 88 HB ILE 88 8.354 2.617 2.737 707 HG12 ILE 88 2HG1 ILE 88 5.959 1.252 1.411 708 HG13 ILE 88 3HG1 ILE 88 7.373 1.861 0.562 709 HG21 ILE 88 1HG2 ILE 88 5.735 1.692 3.985 710 HG22 ILE 88 2HG2 ILE 88 7.011 2.590 4.809 711 HG23 ILE 88 3HG2 ILE 88 7.317 0.951 4.237 712 HD11 ILE 88 3HD1 ILE 88 7.378 -0.558 0.832 713 HD12 ILE 88 1HD1 ILE 88 7.405 -0.358 2.579 714 HD13 ILE 88 2HD1 ILE 88 8.760 0.205 1.614 715 H ARG 89 H ARG 89 9.079 4.282 1.885 716 HA ARG 89 HA ARG 89 8.729 5.261 -0.882 717 HB2 ARG 89 2HB ARG 89 10.226 6.746 1.329 718 HB3 ARG 89 3HB ARG 89 10.266 7.185 -0.377 719 HG2 ARG 89 2HG ARG 89 7.918 7.767 -0.355 720 HG3 ARG 89 3HG ARG 89 7.722 7.131 1.278 721 HD2 ARG 89 2HD ARG 89 9.222 8.907 2.133 722 HD3 ARG 89 3HD ARG 89 9.385 9.544 0.493 723 HE ARG 89 HE ARG 89 7.265 10.436 0.621 724 HH11 ARG 89 1HH1 ARG 89 7.816 8.459 3.493 725 HH12 ARG 89 2HH1 ARG 89 6.364 8.996 4.279 726 HH21 ARG 89 1HH2 ARG 89 5.375 11.122 1.688 727 HH22 ARG 89 2HH2 ARG 89 4.989 10.501 3.263 728 H GLU 90 H GLU 90 9.642 3.295 -1.568 729 HA GLU 90 HA GLU 90 12.459 2.710 -0.853 730 HB2 GLU 90 2HB GLU 90 10.615 1.005 -2.581 731 HB3 GLU 90 3HB GLU 90 12.118 0.512 -1.825 732 HG2 GLU 90 2HG GLU 90 9.528 1.145 -0.398 733 HG3 GLU 90 3HG GLU 90 10.180 -0.461 -0.702 734 H LEU 91 H LEU 91 10.312 3.153 -3.612 735 HA LEU 91 HA LEU 91 12.554 3.843 -5.424 736 HB2 LEU 91 2HB LEU 91 9.882 2.546 -6.114 737 HB3 LEU 91 3HB LEU 91 11.128 2.982 -7.273 738 HG LEU 91 HG LEU 91 11.357 0.819 -5.145 739 HD11 LEU 91 1HD1 LEU 91 9.862 0.181 -6.986 740 HD12 LEU 91 2HD1 LEU 91 11.354 -0.754 -7.032 741 HD13 LEU 91 3HD1 LEU 91 11.119 0.581 -8.160 742 HD21 LEU 91 3HD2 LEU 91 13.517 0.247 -6.181 743 HD22 LEU 91 1HD2 LEU 91 13.546 1.888 -5.532 744 HD23 LEU 91 2HD2 LEU 91 13.376 1.627 -7.270 745 H GLU 92 H GLU 92 11.369 4.973 -7.458 746 HA GLU 92 HA GLU 92 9.615 7.138 -6.440 747 HB2 GLU 92 2HB GLU 92 11.886 7.970 -6.871 748 HB3 GLU 92 3HB GLU 92 11.849 7.318 -8.505 749 HG2 GLU 92 2HG GLU 92 10.174 8.900 -9.195 750 HG3 GLU 92 3HG GLU 92 9.903 9.433 -7.539 751 H HIS 93 H HIS 93 7.660 6.533 -7.185 752 HA HIS 93 HA HIS 93 7.315 6.121 -10.107 753 HB2 HIS 93 2HB HIS 93 6.513 4.241 -8.554 754 HB3 HIS 93 3HB HIS 93 5.294 5.354 -7.942 755 HD1 HIS 93 HD1 HIS 93 6.109 3.158 -10.817 756 HD2 HIS 93 HD2 HIS 93 3.265 6.041 -9.872 757 HE1 HIS 93 HE1 HIS 93 4.335 2.968 -12.577 758 HE2 HIS 93 HE2 HIS 93 2.721 4.827 -12.075 759 H HIS 94 H HIS 94 5.716 7.445 -7.205 760 HA HIS 94 HA HIS 94 5.600 10.078 -8.464 761 HB2 HIS 94 2HB HIS 94 3.332 9.013 -8.857 762 HB3 HIS 94 3HB HIS 94 3.141 8.864 -7.114 763 HD1 HIS 94 HD1 HIS 94 2.031 10.789 -6.000 764 HD2 HIS 94 HD2 HIS 94 3.602 11.861 -9.688 765 HE1 HIS 94 HE1 HIS 94 1.316 13.160 -6.371 766 HE2 HIS 94 HE2 HIS 94 2.134 13.728 -8.672 767 H HIS 95 H HIS 95 7.512 9.677 -6.981 768 HA HIS 95 HA HIS 95 7.134 9.803 -4.124 769 HB2 HIS 95 2HB HIS 95 9.157 8.833 -5.382 770 HB3 HIS 95 3HB HIS 95 9.653 10.485 -5.715 771 HD1 HIS 95 HD1 HIS 95 11.246 11.420 -4.036 772 HD2 HIS 95 HD2 HIS 95 8.994 8.313 -2.461 773 HE1 HIS 95 HE1 HIS 95 12.222 10.954 -1.777 774 HE2 HIS 95 HE2 HIS 95 10.981 8.938 -0.946 775 H HIS 96 H HIS 96 7.589 11.670 -2.797 776 HA HIS 96 HA HIS 96 7.182 13.776 -2.124 777 HB2 HIS 96 2HB HIS 96 9.140 14.430 -3.521 778 HB3 HIS 96 3HB HIS 96 8.096 14.616 -4.921 779 HD1 HIS 96 HD1 HIS 96 9.167 16.331 -1.788 780 HD2 HIS 96 HD2 HIS 96 6.576 17.006 -4.958 781 HE1 HIS 96 HE1 HIS 96 8.538 18.747 -1.636 782 HE2 HIS 96 HE2 HIS 96 6.778 19.047 -3.399 783 H HIS 97 H HIS 97 4.989 13.210 -1.905 784 HA HIS 97 HA HIS 97 3.097 13.539 -4.083 785 HB2 HIS 97 2HB HIS 97 2.911 11.728 -2.303 786 HB3 HIS 97 3HB HIS 97 2.512 12.984 -1.140 787 HD1 HIS 97 HD1 HIS 97 0.136 12.169 -0.676 788 HD2 HIS 97 HD2 HIS 97 0.852 12.830 -4.708 789 HE1 HIS 97 HE1 HIS 97 -2.097 12.008 -1.801 790 HE2 HIS 97 HE2 HIS 97 -1.590 12.159 -4.254 791 H HIS 98 H HIS 98 4.274 15.436 -1.399 792 HA HIS 98 HA HIS 98 2.483 17.667 -2.157 793 HB2 HIS 98 2HB HIS 98 1.684 16.753 -0.002 794 HB3 HIS 98 3HB HIS 98 3.298 16.891 0.687 795 HD1 HIS 98 HD1 HIS 98 3.751 19.014 1.925 796 HD2 HIS 98 HD2 HIS 98 0.586 19.434 -0.734 797 HE1 HIS 98 HE1 HIS 98 2.871 21.335 2.280 798 HE2 HIS 98 HE2 HIS 98 1.066 21.614 0.555 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 8.784 29.389 -29.829 2 H2 GLY 1 2H GLY 1 9.091 30.917 -29.181 3 H3 GLY 1 3H GLY 1 8.275 30.776 -30.651 4 HA2 GLY 1 2HA GLY 1 6.735 31.310 -28.892 5 HA3 GLY 1 3HA GLY 1 6.411 29.717 -29.566 6 H ASP 2 H ASP 2 5.421 30.336 -27.115 7 HA ASP 2 HA ASP 2 7.182 29.403 -24.987 8 HB2 ASP 2 2HB ASP 2 5.584 31.295 -24.599 9 HB3 ASP 2 3HB ASP 2 4.230 30.212 -24.909 10 H ARG 3 H ARG 3 7.005 27.427 -23.932 11 HA ARG 3 HA ARG 3 5.423 25.295 -25.162 12 HB2 ARG 3 2HB ARG 3 7.394 25.176 -22.832 13 HB3 ARG 3 3HB ARG 3 6.632 23.780 -23.584 14 HG2 ARG 3 2HG ARG 3 8.644 25.663 -24.846 15 HG3 ARG 3 3HG ARG 3 8.913 23.986 -24.372 16 HD2 ARG 3 2HD ARG 3 7.279 23.250 -26.080 17 HD3 ARG 3 3HD ARG 3 7.029 24.927 -26.568 18 HE ARG 3 HE ARG 3 9.246 23.209 -27.243 19 HH11 ARG 3 1HH1 ARG 3 8.283 26.587 -26.968 20 HH12 ARG 3 2HH1 ARG 3 9.512 27.146 -28.053 21 HH21 ARG 3 1HH2 ARG 3 10.826 23.966 -28.678 22 HH22 ARG 3 2HH2 ARG 3 10.945 25.662 -29.028 23 H ARG 4 H ARG 4 3.504 26.588 -24.525 24 HA ARG 4 HA ARG 4 2.647 26.771 -21.831 25 HB2 ARG 4 2HB ARG 4 0.496 27.485 -22.680 26 HB3 ARG 4 3HB ARG 4 1.751 28.248 -23.632 27 HG2 ARG 4 2HG ARG 4 0.098 25.866 -24.548 28 HG3 ARG 4 3HG ARG 4 -0.248 27.543 -24.954 29 HD2 ARG 4 2HD ARG 4 1.866 27.705 -26.188 30 HD3 ARG 4 3HD ARG 4 2.288 26.052 -25.724 31 HE ARG 4 HE ARG 4 -0.233 26.188 -27.072 32 HH11 ARG 4 1HH1 ARG 4 3.229 26.135 -27.723 33 HH12 ARG 4 2HH1 ARG 4 3.022 25.480 -29.313 34 HH21 ARG 4 1HH2 ARG 4 -0.468 25.346 -29.145 35 HH22 ARG 4 2HH2 ARG 4 0.931 25.037 -30.119 36 H VAL 5 H VAL 5 2.114 25.151 -20.544 37 HA VAL 5 HA VAL 5 1.543 22.496 -21.571 38 HB VAL 5 HB VAL 5 3.092 22.698 -19.677 39 HG11 VAL 5 1HG1 VAL 5 2.221 24.697 -18.562 40 HG12 VAL 5 2HG1 VAL 5 2.371 23.369 -17.412 41 HG13 VAL 5 3HG1 VAL 5 0.783 23.813 -18.043 42 HG21 VAL 5 3HG2 VAL 5 2.124 20.979 -18.191 43 HG22 VAL 5 1HG2 VAL 5 1.798 20.626 -19.891 44 HG23 VAL 5 2HG2 VAL 5 0.522 21.287 -18.868 45 H ARG 6 H ARG 6 -0.441 21.592 -21.707 46 HA ARG 6 HA ARG 6 -2.805 23.022 -20.720 47 HB2 ARG 6 2HB ARG 6 -2.723 22.150 -23.075 48 HB3 ARG 6 3HB ARG 6 -2.635 20.508 -22.444 49 HG2 ARG 6 2HG ARG 6 -4.861 20.685 -21.497 50 HG3 ARG 6 3HG ARG 6 -4.944 22.404 -21.886 51 HD2 ARG 6 2HD ARG 6 -4.836 20.121 -23.882 52 HD3 ARG 6 3HD ARG 6 -6.258 21.092 -23.485 53 HE ARG 6 HE ARG 6 -3.828 22.086 -24.861 54 HH11 ARG 6 1HH1 ARG 6 -7.286 22.356 -24.274 55 HH12 ARG 6 2HH1 ARG 6 -7.480 23.670 -25.389 56 HH21 ARG 6 1HH2 ARG 6 -4.120 23.808 -26.302 57 HH22 ARG 6 2HH2 ARG 6 -5.697 24.501 -26.511 58 H LEU 7 H LEU 7 -2.717 22.675 -18.538 59 HA LEU 7 HA LEU 7 -2.217 20.149 -17.275 60 HB2 LEU 7 2HB LEU 7 -3.373 22.753 -16.209 61 HB3 LEU 7 3HB LEU 7 -2.944 21.381 -15.200 62 HG LEU 7 HG LEU 7 -0.996 23.040 -16.853 63 HD11 LEU 7 1HD1 LEU 7 -1.394 22.951 -13.841 64 HD12 LEU 7 2HD1 LEU 7 -1.881 24.271 -14.908 65 HD13 LEU 7 3HD1 LEU 7 -0.173 23.890 -14.708 66 HD21 LEU 7 3HD2 LEU 7 0.766 21.759 -15.704 67 HD22 LEU 7 1HD2 LEU 7 -0.253 20.715 -16.693 68 HD23 LEU 7 2HD2 LEU 7 -0.458 20.743 -14.940 69 H ILE 8 H ILE 8 -3.732 18.643 -18.020 70 HA ILE 8 HA ILE 8 -6.576 19.116 -17.322 71 HB ILE 8 HB ILE 8 -5.382 16.886 -19.045 72 HG12 ILE 8 2HG1 ILE 8 -6.961 19.377 -19.871 73 HG13 ILE 8 3HG1 ILE 8 -5.245 19.110 -20.159 74 HG21 ILE 8 1HG2 ILE 8 -8.305 17.567 -18.493 75 HG22 ILE 8 2HG2 ILE 8 -7.441 16.143 -17.912 76 HG23 ILE 8 3HG2 ILE 8 -7.739 16.345 -19.637 77 HD11 ILE 8 3HD1 ILE 8 -6.539 18.764 -22.164 78 HD12 ILE 8 1HD1 ILE 8 -7.517 17.534 -21.365 79 HD13 ILE 8 2HD1 ILE 8 -5.798 17.247 -21.655 80 H ARG 9 H ARG 9 -6.892 18.602 -15.294 81 HA ARG 9 HA ARG 9 -5.632 16.460 -13.828 82 HB2 ARG 9 2HB ARG 9 -7.980 18.306 -13.235 83 HB3 ARG 9 3HB ARG 9 -7.345 17.147 -12.069 84 HG2 ARG 9 2HG ARG 9 -5.302 18.332 -11.831 85 HG3 ARG 9 3HG ARG 9 -5.585 19.287 -13.289 86 HD2 ARG 9 2HD ARG 9 -7.283 19.485 -10.772 87 HD3 ARG 9 3HD ARG 9 -5.935 20.564 -11.153 88 HE ARG 9 HE ARG 9 -7.377 20.853 -13.352 89 HH11 ARG 9 1HH1 ARG 9 -8.561 20.787 -10.049 90 HH12 ARG 9 2HH1 ARG 9 -9.823 21.937 -10.358 91 HH21 ARG 9 1HH2 ARG 9 -9.042 22.339 -13.741 92 HH22 ARG 9 2HH2 ARG 9 -10.098 22.813 -12.445 93 H THR 10 H THR 10 -7.260 14.969 -12.555 94 HA THR 10 HA THR 10 -8.649 13.290 -14.395 95 HB THR 10 HB THR 10 -9.408 12.088 -12.252 96 HG1 THR 10 HG1 THR 10 -8.375 12.778 -10.328 97 HG21 THR 10 3HG2 THR 10 -6.419 12.547 -12.551 98 HG22 THR 10 1HG2 THR 10 -7.372 11.375 -13.464 99 HG23 THR 10 2HG2 THR 10 -7.182 11.191 -11.720 100 H ARG 11 H ARG 11 -10.086 14.711 -11.412 101 HA ARG 11 HA ARG 11 -12.013 16.332 -12.660 102 HB2 ARG 11 2HB ARG 11 -12.793 13.727 -13.038 103 HB3 ARG 11 3HB ARG 11 -13.510 13.987 -11.460 104 HG2 ARG 11 2HG ARG 11 -14.091 15.569 -13.992 105 HG3 ARG 11 3HG ARG 11 -15.148 14.371 -13.245 106 HD2 ARG 11 2HD ARG 11 -15.340 15.836 -11.248 107 HD3 ARG 11 3HD ARG 11 -14.334 17.043 -12.052 108 HE ARG 11 HE ARG 11 -16.521 16.411 -13.711 109 HH11 ARG 11 1HH1 ARG 11 -15.935 18.037 -10.640 110 HH12 ARG 11 2HH1 ARG 11 -17.247 19.152 -10.859 111 HH21 ARG 11 1HH2 ARG 11 -18.237 17.879 -13.956 112 HH22 ARG 11 2HH2 ARG 11 -18.538 19.067 -12.729 113 H GLY 12 H GLY 12 -12.012 14.067 -9.897 114 HA2 GLY 12 2HA GLY 12 -11.395 15.915 -7.864 115 HA3 GLY 12 3HA GLY 12 -13.150 15.790 -7.985 116 H GLY 13 H GLY 13 -11.596 14.990 -5.709 117 HA2 GLY 13 2HA GLY 13 -10.957 12.207 -5.712 118 HA3 GLY 13 3HA GLY 13 -11.073 13.253 -4.310 119 H ASN 14 H ASN 14 -12.927 11.214 -6.515 120 HA ASN 14 HA ASN 14 -15.163 10.981 -4.588 121 HB2 ASN 14 2HB ASN 14 -14.939 9.961 -7.456 122 HB3 ASN 14 3HB ASN 14 -16.351 9.779 -6.426 123 HD21 ASN 14 1HD2 ASN 14 -16.188 12.512 -5.328 124 HD22 ASN 14 2HD2 ASN 14 -16.688 13.550 -6.610 125 H THR 15 H THR 15 -16.076 8.684 -4.462 126 HA THR 15 HA THR 15 -13.977 6.871 -3.610 127 HB THR 15 HB THR 15 -17.010 6.568 -3.475 128 HG1 THR 15 HG1 THR 15 -15.819 8.341 -2.266 129 HG21 THR 15 3HG2 THR 15 -14.822 5.057 -1.994 130 HG22 THR 15 1HG2 THR 15 -15.835 4.391 -3.277 131 HG23 THR 15 2HG2 THR 15 -16.558 4.872 -1.741 132 H LYS 16 H LYS 16 -13.070 5.617 -5.087 133 HA LYS 16 HA LYS 16 -14.521 4.453 -7.345 134 HB2 LYS 16 2HB LYS 16 -11.584 4.374 -6.503 135 HB3 LYS 16 3HB LYS 16 -12.210 3.414 -7.836 136 HG2 LYS 16 2HG LYS 16 -11.129 5.374 -8.729 137 HG3 LYS 16 3HG LYS 16 -12.864 5.512 -9.016 138 HD2 LYS 16 2HD LYS 16 -13.019 7.027 -7.018 139 HD3 LYS 16 3HD LYS 16 -11.266 6.938 -6.852 140 HE2 LYS 16 2HE LYS 16 -11.972 9.003 -7.995 141 HE3 LYS 16 3HE LYS 16 -10.994 7.988 -9.056 142 HZ1 LYS 16 3HZ LYS 16 -13.955 8.166 -9.075 143 HZ2 LYS 16 1HZ LYS 16 -13.020 7.195 -10.096 144 HZ3 LYS 16 2HZ LYS 16 -12.914 8.878 -10.199 145 H VAL 17 H VAL 17 -14.256 2.066 -7.694 146 HA VAL 17 HA VAL 17 -14.899 0.578 -5.287 147 HB VAL 17 HB VAL 17 -16.082 0.192 -7.496 148 HG11 VAL 17 1HG1 VAL 17 -13.505 -1.183 -8.337 149 HG12 VAL 17 2HG1 VAL 17 -14.166 0.302 -9.021 150 HG13 VAL 17 3HG1 VAL 17 -15.032 -1.219 -9.223 151 HG21 VAL 17 3HG2 VAL 17 -16.252 -2.271 -7.275 152 HG22 VAL 17 1HG2 VAL 17 -16.253 -1.481 -5.697 153 HG23 VAL 17 2HG2 VAL 17 -14.795 -2.288 -6.277 154 H ARG 18 H ARG 18 -13.773 -1.357 -4.660 155 HA ARG 18 HA ARG 18 -10.969 -1.244 -4.412 156 HB2 ARG 18 2HB ARG 18 -11.226 -3.518 -3.417 157 HB3 ARG 18 3HB ARG 18 -12.396 -2.370 -2.774 158 HG2 ARG 18 2HG ARG 18 -14.133 -3.313 -4.277 159 HG3 ARG 18 3HG ARG 18 -12.959 -4.486 -4.881 160 HD2 ARG 18 2HD ARG 18 -12.741 -5.416 -2.586 161 HD3 ARG 18 3HD ARG 18 -13.949 -4.260 -2.015 162 HE ARG 18 HE ARG 18 -15.235 -5.538 -4.022 163 HH11 ARG 18 1HH1 ARG 18 -13.510 -6.771 -1.212 164 HH12 ARG 18 2HH1 ARG 18 -14.537 -8.158 -1.049 165 HH21 ARG 18 1HH2 ARG 18 -16.540 -7.375 -3.800 166 HH22 ARG 18 2HH2 ARG 18 -16.245 -8.500 -2.513 167 H LEU 19 H LEU 19 -9.837 -3.620 -4.912 168 HA LEU 19 HA LEU 19 -9.318 -3.865 -7.630 169 HB2 LEU 19 2HB LEU 19 -8.170 -5.967 -7.122 170 HB3 LEU 19 3HB LEU 19 -7.752 -4.703 -5.992 171 HG LEU 19 HG LEU 19 -9.690 -6.947 -5.303 172 HD11 LEU 19 1HD1 LEU 19 -7.522 -7.949 -5.837 173 HD12 LEU 19 2HD1 LEU 19 -7.836 -8.045 -4.109 174 HD13 LEU 19 3HD1 LEU 19 -6.709 -6.839 -4.731 175 HD21 LEU 19 3HD2 LEU 19 -8.200 -4.981 -3.529 176 HD22 LEU 19 1HD2 LEU 19 -9.175 -6.339 -2.955 177 HD23 LEU 19 2HD2 LEU 19 -9.940 -5.023 -3.834 178 H ALA 20 H ALA 20 -11.126 -3.944 -8.842 179 HA ALA 20 HA ALA 20 -12.655 -6.456 -9.025 180 HB1 ALA 20 3HB ALA 20 -14.006 -4.909 -7.625 181 HB2 ALA 20 1HB ALA 20 -14.792 -5.204 -9.179 182 HB3 ALA 20 2HB ALA 20 -13.932 -3.687 -8.893 183 H SER 21 H SER 21 -10.583 -4.650 -10.485 184 HA SER 21 HA SER 21 -11.510 -4.882 -13.216 185 HB2 SER 21 2HB SER 21 -10.983 -2.085 -12.077 186 HB3 SER 21 3HB SER 21 -11.373 -2.470 -13.751 187 HG SER 21 HG SER 21 -13.351 -3.475 -12.586 188 H ASP 22 H ASP 22 -9.252 -3.491 -10.923 189 HA ASP 22 HA ASP 22 -6.932 -4.597 -12.316 190 HB2 ASP 22 2HB ASP 22 -7.221 -2.199 -13.111 191 HB3 ASP 22 3HB ASP 22 -7.080 -1.664 -11.439 192 H THR 23 H THR 23 -5.147 -4.941 -10.855 193 HA THR 23 HA THR 23 -5.834 -5.684 -8.230 194 HB THR 23 HB THR 23 -3.030 -5.261 -9.375 195 HG1 THR 23 HG1 THR 23 -4.422 -6.728 -10.570 196 HG21 THR 23 3HG2 THR 23 -2.308 -6.942 -7.715 197 HG22 THR 23 1HG2 THR 23 -3.952 -7.034 -7.069 198 HG23 THR 23 2HG2 THR 23 -3.016 -5.549 -6.903 199 H ARG 24 H ARG 24 -6.172 -4.377 -6.579 200 HA ARG 24 HA ARG 24 -4.751 -1.813 -6.300 201 HB2 ARG 24 2HB ARG 24 -7.767 -2.251 -6.235 202 HB3 ARG 24 3HB ARG 24 -7.021 -0.840 -5.485 203 HG2 ARG 24 2HG ARG 24 -5.977 -0.320 -7.731 204 HG3 ARG 24 3HG ARG 24 -6.967 -1.605 -8.416 205 HD2 ARG 24 2HD ARG 24 -8.226 0.673 -6.882 206 HD3 ARG 24 3HD ARG 24 -7.788 0.854 -8.579 207 HE ARG 24 HE ARG 24 -9.635 -1.269 -7.654 208 HH11 ARG 24 1HH1 ARG 24 -8.890 1.382 -9.823 209 HH12 ARG 24 2HH1 ARG 24 -10.332 1.194 -10.757 210 HH21 ARG 24 1HH2 ARG 24 -11.552 -1.491 -8.888 211 HH22 ARG 24 2HH2 ARG 24 -11.840 -0.432 -10.226 212 H ILE 25 H ILE 25 -5.260 -0.806 -4.163 213 HA ILE 25 HA ILE 25 -5.269 -2.633 -1.895 214 HB ILE 25 HB ILE 25 -2.970 -2.918 -2.714 215 HG12 ILE 25 2HG1 ILE 25 -2.895 -1.076 -0.272 216 HG13 ILE 25 3HG1 ILE 25 -3.296 -2.786 -0.216 217 HG21 ILE 25 1HG2 ILE 25 -2.681 0.106 -2.584 218 HG22 ILE 25 2HG2 ILE 25 -2.762 -0.868 -4.051 219 HG23 ILE 25 3HG2 ILE 25 -1.386 -1.036 -2.960 220 HD11 ILE 25 3HD1 ILE 25 -0.644 -1.607 -1.031 221 HD12 ILE 25 1HD1 ILE 25 -1.034 -3.329 -1.010 222 HD13 ILE 25 2HD1 ILE 25 -1.025 -2.406 0.494 223 H ASN 26 H ASN 26 -5.431 -1.500 0.093 224 HA ASN 26 HA ASN 26 -6.224 1.330 -0.074 225 HB2 ASN 26 2HB ASN 26 -6.452 -0.593 2.302 226 HB3 ASN 26 3HB ASN 26 -7.210 0.992 2.148 227 HD21 ASN 26 1HD2 ASN 26 -7.270 -2.321 1.084 228 HD22 ASN 26 2HD2 ASN 26 -8.844 -2.273 0.381 229 H VAL 27 H VAL 27 -4.406 2.474 -0.079 230 HA VAL 27 HA VAL 27 -2.038 1.757 1.461 231 HB VAL 27 HB VAL 27 -2.506 4.114 -0.433 232 HG11 VAL 27 1HG1 VAL 27 -0.045 4.287 -0.521 233 HG12 VAL 27 2HG1 VAL 27 0.096 2.997 0.676 234 HG13 VAL 27 3HG1 VAL 27 -0.657 4.532 1.116 235 HG21 VAL 27 3HG2 VAL 27 -1.202 1.432 -1.037 236 HG22 VAL 27 1HG2 VAL 27 -1.300 2.811 -2.139 237 HG23 VAL 27 2HG2 VAL 27 -2.773 1.985 -1.625 238 H VAL 28 H VAL 28 -1.955 2.429 3.524 239 HA VAL 28 HA VAL 28 -3.418 4.843 4.373 240 HB VAL 28 HB VAL 28 -2.195 2.705 6.188 241 HG11 VAL 28 1HG1 VAL 28 -4.327 4.800 6.715 242 HG12 VAL 28 2HG1 VAL 28 -2.657 4.827 7.284 243 HG13 VAL 28 3HG1 VAL 28 -3.763 3.589 7.872 244 HG21 VAL 28 3HG2 VAL 28 -5.061 2.742 5.148 245 HG22 VAL 28 1HG2 VAL 28 -4.423 1.652 6.386 246 HG23 VAL 28 2HG2 VAL 28 -3.816 1.563 4.735 247 H ASP 29 H ASP 29 -2.024 6.481 3.957 248 HA ASP 29 HA ASP 29 0.757 6.506 4.176 249 HB2 ASP 29 2HB ASP 29 -0.654 8.254 3.023 250 HB3 ASP 29 3HB ASP 29 -1.131 8.871 4.598 251 HA PRO 30 HA PRO 30 0.885 5.994 8.651 252 HB2 PRO 30 2HB PRO 30 3.579 6.017 9.053 253 HB3 PRO 30 3HB PRO 30 2.773 4.686 8.206 254 HG2 PRO 30 2HG PRO 30 4.179 7.091 7.033 255 HG3 PRO 30 3HG PRO 30 4.383 5.372 6.620 256 HD2 PRO 30 2HD PRO 30 2.803 7.001 5.139 257 HD3 PRO 30 3HD PRO 30 2.386 5.294 5.399 258 H GLU 31 H GLU 31 1.954 8.872 7.077 259 HA GLU 31 HA GLU 31 2.717 10.254 9.555 260 HB2 GLU 31 2HB GLU 31 2.737 11.194 6.648 261 HB3 GLU 31 3HB GLU 31 3.426 12.073 8.015 262 HG2 GLU 31 2HG GLU 31 5.080 10.315 8.372 263 HG3 GLU 31 3HG GLU 31 4.336 9.317 7.125 264 H THR 32 H THR 32 0.434 10.712 6.850 265 HA THR 32 HA THR 32 -1.096 12.739 8.260 266 HB THR 32 HB THR 32 -2.422 12.899 6.151 267 HG1 THR 32 HG1 THR 32 -0.696 10.822 5.214 268 HG21 THR 32 3HG2 THR 32 -0.618 13.656 4.646 269 HG22 THR 32 1HG2 THR 32 0.578 12.833 5.648 270 HG23 THR 32 2HG2 THR 32 -0.327 14.206 6.297 271 H GLY 33 H GLY 33 -1.475 9.331 7.433 272 HA2 GLY 33 2HA GLY 33 -2.973 7.787 8.380 273 HA3 GLY 33 3HA GLY 33 -3.959 9.106 8.984 274 H LYS 34 H LYS 34 -3.237 9.751 5.792 275 HA LYS 34 HA LYS 34 -5.855 9.432 4.795 276 HB2 LYS 34 2HB LYS 34 -3.184 9.938 3.432 277 HB3 LYS 34 3HB LYS 34 -4.672 9.808 2.501 278 HG2 LYS 34 2HG LYS 34 -4.303 11.816 4.748 279 HG3 LYS 34 3HG LYS 34 -3.915 12.162 3.060 280 HD2 LYS 34 2HD LYS 34 -6.266 11.727 2.417 281 HD3 LYS 34 3HD LYS 34 -6.666 11.355 4.096 282 HE2 LYS 34 2HE LYS 34 -5.604 14.050 3.179 283 HE3 LYS 34 3HE LYS 34 -7.319 13.669 3.334 284 HZ1 LYS 34 3HZ LYS 34 -5.351 13.520 5.549 285 HZ2 LYS 34 1HZ LYS 34 -7.020 13.263 5.662 286 HZ3 LYS 34 2HZ LYS 34 -6.424 14.796 5.288 287 H VAL 35 H VAL 35 -6.803 7.463 4.617 288 HA VAL 35 HA VAL 35 -5.416 5.168 3.421 289 HB VAL 35 HB VAL 35 -8.351 5.351 4.285 290 HG11 VAL 35 1HG1 VAL 35 -6.601 2.933 3.701 291 HG12 VAL 35 2HG1 VAL 35 -7.932 3.536 2.712 292 HG13 VAL 35 3HG1 VAL 35 -8.258 2.876 4.312 293 HG21 VAL 35 3HG2 VAL 35 -6.911 5.783 6.230 294 HG22 VAL 35 1HG2 VAL 35 -6.003 4.302 5.915 295 HG23 VAL 35 2HG2 VAL 35 -7.704 4.217 6.378 296 H GLU 36 H GLU 36 -5.304 5.142 1.252 297 HA GLU 36 HA GLU 36 -7.509 6.229 -0.395 298 HB2 GLU 36 2HB GLU 36 -5.714 7.896 -0.325 299 HB3 GLU 36 3HB GLU 36 -4.512 6.677 -0.722 300 HG2 GLU 36 2HG GLU 36 -4.973 8.089 -2.647 301 HG3 GLU 36 3HG GLU 36 -5.459 6.428 -2.966 302 H ILE 37 H ILE 37 -8.161 4.905 -1.997 303 HA ILE 37 HA ILE 37 -6.979 2.291 -2.384 304 HB ILE 37 HB ILE 37 -9.243 3.609 -3.975 305 HG12 ILE 37 2HG1 ILE 37 -9.454 1.753 -1.541 306 HG13 ILE 37 3HG1 ILE 37 -9.812 3.476 -1.550 307 HG21 ILE 37 1HG2 ILE 37 -9.871 1.288 -4.624 308 HG22 ILE 37 2HG2 ILE 37 -8.466 0.663 -3.754 309 HG23 ILE 37 3HG2 ILE 37 -8.242 1.698 -5.164 310 HD11 ILE 37 3HD1 ILE 37 -11.831 2.154 -1.588 311 HD12 ILE 37 1HD1 ILE 37 -11.320 1.352 -3.071 312 HD13 ILE 37 2HD1 ILE 37 -11.681 3.081 -3.079 313 H ALA 38 H ALA 38 -5.316 1.968 -3.704 314 HA ALA 38 HA ALA 38 -4.738 3.814 -5.945 315 HB1 ALA 38 3HB ALA 38 -3.231 4.313 -4.058 316 HB2 ALA 38 1HB ALA 38 -2.337 3.633 -5.419 317 HB3 ALA 38 2HB ALA 38 -2.713 2.628 -4.014 318 H GLU 39 H GLU 39 -3.464 2.875 -7.629 319 HA GLU 39 HA GLU 39 -4.265 0.084 -8.159 320 HB2 GLU 39 2HB GLU 39 -3.285 2.262 -10.071 321 HB3 GLU 39 3HB GLU 39 -3.666 0.616 -10.556 322 HG2 GLU 39 2HG GLU 39 -5.499 2.009 -11.192 323 HG3 GLU 39 3HG GLU 39 -6.044 1.010 -9.850 324 H ILE 40 H ILE 40 -2.733 -1.481 -8.079 325 HA ILE 40 HA ILE 40 -0.016 -0.825 -7.368 326 HB ILE 40 HB ILE 40 -1.320 -3.538 -7.918 327 HG12 ILE 40 2HG1 ILE 40 -0.703 -2.108 -5.284 328 HG13 ILE 40 3HG1 ILE 40 -2.300 -2.414 -5.952 329 HG21 ILE 40 1HG2 ILE 40 1.414 -2.974 -6.681 330 HG22 ILE 40 2HG2 ILE 40 1.121 -3.676 -8.272 331 HG23 ILE 40 3HG2 ILE 40 0.654 -4.564 -6.825 332 HD11 ILE 40 3HD1 ILE 40 -1.820 -3.908 -4.123 333 HD12 ILE 40 1HD1 ILE 40 -0.371 -4.498 -4.933 334 HD13 ILE 40 2HD1 ILE 40 -1.964 -4.824 -5.619 335 H ARG 41 H ARG 41 1.285 -0.151 -8.879 336 HA ARG 41 HA ARG 41 0.998 -0.510 -11.694 337 HB2 ARG 41 2HB ARG 41 3.318 0.590 -10.049 338 HB3 ARG 41 3HB ARG 41 3.147 0.767 -11.795 339 HG2 ARG 41 2HG ARG 41 1.168 2.155 -11.512 340 HG3 ARG 41 3HG ARG 41 1.180 1.880 -9.767 341 HD2 ARG 41 2HD ARG 41 2.086 4.097 -10.357 342 HD3 ARG 41 3HD ARG 41 3.296 3.085 -9.563 343 HE ARG 41 HE ARG 41 3.276 3.145 -12.486 344 HH11 ARG 41 1HH1 ARG 41 4.818 4.217 -9.515 345 HH12 ARG 41 2HH1 ARG 41 6.247 4.770 -10.321 346 HH21 ARG 41 1HH2 ARG 41 5.161 3.855 -13.524 347 HH22 ARG 41 2HH2 ARG 41 6.447 4.558 -12.597 348 H ASN 42 H ASN 42 3.119 -1.793 -9.200 349 HA ASN 42 HA ASN 42 3.824 -4.148 -10.692 350 HB2 ASN 42 2HB ASN 42 5.399 -2.359 -11.636 351 HB3 ASN 42 3HB ASN 42 6.072 -2.176 -10.018 352 HD21 ASN 42 1HD2 ASN 42 8.128 -2.767 -10.779 353 HD22 ASN 42 2HD2 ASN 42 8.533 -4.402 -11.168 354 H VAL 43 H VAL 43 5.395 -5.461 -9.331 355 HA VAL 43 HA VAL 43 5.087 -5.001 -6.422 356 HB VAL 43 HB VAL 43 5.212 -7.610 -6.310 357 HG11 VAL 43 1HG1 VAL 43 2.777 -7.867 -6.657 358 HG12 VAL 43 2HG1 VAL 43 2.728 -6.338 -7.543 359 HG13 VAL 43 3HG1 VAL 43 3.149 -6.354 -5.832 360 HG21 VAL 43 3HG2 VAL 43 4.418 -7.341 -9.243 361 HG22 VAL 43 1HG2 VAL 43 4.408 -8.833 -8.295 362 HG23 VAL 43 2HG2 VAL 43 5.931 -8.019 -8.636 363 H VAL 44 H VAL 44 7.072 -4.025 -6.047 364 HA VAL 44 HA VAL 44 9.536 -5.430 -6.763 365 HB VAL 44 HB VAL 44 8.991 -4.131 -8.800 366 HG11 VAL 44 1HG1 VAL 44 9.002 -1.664 -8.837 367 HG12 VAL 44 2HG1 VAL 44 9.108 -1.637 -7.077 368 HG13 VAL 44 3HG1 VAL 44 7.675 -2.301 -7.862 369 HG21 VAL 44 3HG2 VAL 44 11.139 -2.956 -9.093 370 HG22 VAL 44 1HG2 VAL 44 11.350 -4.506 -8.276 371 HG23 VAL 44 2HG2 VAL 44 11.409 -3.006 -7.351 372 H GLU 45 H GLU 45 11.232 -4.934 -5.509 373 HA GLU 45 HA GLU 45 11.272 -2.687 -3.639 374 HB2 GLU 45 2HB GLU 45 12.198 -4.734 -1.969 375 HB3 GLU 45 3HB GLU 45 10.618 -3.994 -1.878 376 HG2 GLU 45 2HG GLU 45 10.395 -6.398 -1.745 377 HG3 GLU 45 3HG GLU 45 9.662 -5.822 -3.236 378 H ASN 46 H ASN 46 13.300 -5.597 -3.574 379 HA ASN 46 HA ASN 46 15.533 -4.181 -4.883 380 HB2 ASN 46 2HB ASN 46 15.849 -4.842 -2.458 381 HB3 ASN 46 3HB ASN 46 15.642 -6.527 -2.918 382 HD21 ASN 46 1HD2 ASN 46 17.722 -3.714 -3.215 383 HD22 ASN 46 2HD2 ASN 46 19.156 -4.577 -3.647 384 H THR 47 H THR 47 13.145 -5.905 -5.856 385 HA THR 47 HA THR 47 12.556 -7.450 -7.341 386 HB THR 47 HB THR 47 13.934 -7.779 -9.381 387 HG1 THR 47 HG1 THR 47 16.018 -7.499 -8.004 388 HG21 THR 47 3HG2 THR 47 14.041 -5.429 -10.122 389 HG22 THR 47 1HG2 THR 47 13.873 -4.890 -8.453 390 HG23 THR 47 2HG2 THR 47 12.549 -5.753 -9.240 391 H ALA 48 H ALA 48 12.459 -9.042 -5.702 392 HA ALA 48 HA ALA 48 14.598 -10.883 -5.175 393 HB1 ALA 48 3HB ALA 48 12.922 -12.163 -3.910 394 HB2 ALA 48 1HB ALA 48 11.627 -11.183 -4.605 395 HB3 ALA 48 2HB ALA 48 12.814 -10.444 -3.530 396 H ASN 49 H ASN 49 11.771 -10.932 -7.322 397 HA ASN 49 HA ASN 49 12.843 -13.329 -8.722 398 HB2 ASN 49 2HB ASN 49 9.962 -12.314 -8.725 399 HB3 ASN 49 3HB ASN 49 10.553 -13.748 -9.554 400 HD21 ASN 49 1HD2 ASN 49 11.113 -15.597 -8.286 401 HD22 ASN 49 2HD2 ASN 49 10.528 -15.784 -6.673 402 HA PRO 50 HA PRO 50 13.792 -9.705 -11.467 403 HB2 PRO 50 2HB PRO 50 15.589 -11.726 -12.765 404 HB3 PRO 50 3HB PRO 50 15.970 -10.104 -12.170 405 HG2 PRO 50 2HG PRO 50 16.783 -12.268 -10.825 406 HG3 PRO 50 3HG PRO 50 16.201 -10.832 -9.953 407 HD2 PRO 50 2HD PRO 50 14.735 -13.406 -10.556 408 HD3 PRO 50 3HD PRO 50 14.807 -12.485 -9.034 409 H HIS 51 H HIS 51 12.062 -9.398 -12.750 410 HA HIS 51 HA HIS 51 11.015 -9.157 -14.726 411 HB2 HIS 51 2HB HIS 51 13.191 -9.745 -15.819 412 HB3 HIS 51 3HB HIS 51 12.722 -11.437 -15.809 413 HD1 HIS 51 HD1 HIS 51 11.704 -8.132 -17.368 414 HD2 HIS 51 HD2 HIS 51 11.239 -12.206 -18.021 415 HE1 HIS 51 HE1 HIS 51 10.640 -8.340 -19.630 416 HE2 HIS 51 HE2 HIS 51 10.575 -10.809 -20.085 417 H PHE 52 H PHE 52 10.774 -11.848 -12.789 418 HA PHE 52 HA PHE 52 9.031 -13.529 -14.286 419 HB2 PHE 52 2HB PHE 52 9.587 -13.333 -11.301 420 HB3 PHE 52 3HB PHE 52 8.480 -14.521 -11.982 421 HD1 PHE 52 HD2 PHE 52 9.320 -16.343 -13.439 422 HD2 PHE 52 HD1 PHE 52 12.015 -13.609 -11.567 423 HE1 PHE 52 HE2 PHE 52 11.189 -17.875 -13.882 424 HE2 PHE 52 HE1 PHE 52 13.883 -15.145 -12.023 425 HZ PHE 52 HZ PHE 52 13.475 -17.281 -13.176 426 H VAL 53 H VAL 53 7.042 -13.060 -14.905 427 HA VAL 53 HA VAL 53 5.440 -10.929 -13.840 428 HB VAL 53 HB VAL 53 4.493 -13.174 -15.681 429 HG11 VAL 53 1HG1 VAL 53 2.671 -11.766 -14.805 430 HG12 VAL 53 2HG1 VAL 53 2.875 -11.519 -16.538 431 HG13 VAL 53 3HG1 VAL 53 3.483 -10.315 -15.398 432 HG21 VAL 53 3HG2 VAL 53 5.137 -11.739 -17.605 433 HG22 VAL 53 1HG2 VAL 53 6.535 -12.238 -16.651 434 HG23 VAL 53 2HG2 VAL 53 5.900 -10.599 -16.493 435 H ARG 54 H ARG 54 5.832 -14.291 -13.096 436 HA ARG 54 HA ARG 54 3.427 -14.711 -11.579 437 HB2 ARG 54 2HB ARG 54 6.076 -16.207 -11.671 438 HB3 ARG 54 3HB ARG 54 4.732 -16.706 -10.646 439 HG2 ARG 54 2HG ARG 54 3.308 -16.983 -12.649 440 HG3 ARG 54 3HG ARG 54 4.668 -16.515 -13.674 441 HD2 ARG 54 2HD ARG 54 4.366 -18.966 -13.600 442 HD3 ARG 54 3HD ARG 54 5.928 -18.478 -12.947 443 HE ARG 54 HE ARG 54 5.167 -18.974 -10.751 444 HH11 ARG 54 1HH1 ARG 54 2.778 -19.860 -13.168 445 HH12 ARG 54 2HH1 ARG 54 2.004 -21.027 -12.148 446 HH21 ARG 54 1HH2 ARG 54 4.128 -20.503 -9.429 447 HH22 ARG 54 2HH2 ARG 54 2.764 -21.387 -10.027 448 H ARG 55 H ARG 55 5.828 -12.567 -10.946 449 HA ARG 55 HA ARG 55 6.007 -12.789 -8.095 450 HB2 ARG 55 2HB ARG 55 7.340 -11.286 -10.019 451 HB3 ARG 55 3HB ARG 55 6.330 -10.058 -9.281 452 HG2 ARG 55 2HG ARG 55 8.305 -11.839 -7.817 453 HG3 ARG 55 3HG ARG 55 8.588 -10.163 -8.287 454 HD2 ARG 55 2HD ARG 55 6.866 -9.392 -6.756 455 HD3 ARG 55 3HD ARG 55 6.390 -11.053 -6.395 456 HE ARG 55 HE ARG 55 8.291 -11.337 -5.094 457 HH11 ARG 55 1HH1 ARG 55 8.314 -8.113 -6.481 458 HH12 ARG 55 2HH1 ARG 55 9.501 -7.525 -5.366 459 HH21 ARG 55 1HH2 ARG 55 9.793 -10.549 -3.628 460 HH22 ARG 55 2HH2 ARG 55 10.340 -8.911 -3.747 461 H ASN 56 H ASN 56 3.459 -11.935 -10.175 462 HA ASN 56 HA ASN 56 1.925 -10.088 -8.735 463 HB2 ASN 56 2HB ASN 56 -0.028 -10.972 -9.928 464 HB3 ASN 56 3HB ASN 56 1.342 -10.878 -11.026 465 HD21 ASN 56 1HD2 ASN 56 -1.058 -12.499 -11.258 466 HD22 ASN 56 2HD2 ASN 56 -0.532 -14.140 -11.358 467 H ILE 57 H ILE 57 2.604 -13.431 -8.033 468 HA ILE 57 HA ILE 57 0.817 -13.838 -5.857 469 HB ILE 57 HB ILE 57 3.650 -14.957 -6.161 470 HG12 ILE 57 2HG1 ILE 57 1.064 -16.247 -7.172 471 HG13 ILE 57 3HG1 ILE 57 2.195 -15.369 -8.199 472 HG21 ILE 57 1HG2 ILE 57 2.858 -16.842 -4.764 473 HG22 ILE 57 2HG2 ILE 57 1.286 -16.061 -4.591 474 HG23 ILE 57 3HG2 ILE 57 2.725 -15.305 -3.905 475 HD11 ILE 57 3HD1 ILE 57 2.490 -17.767 -8.393 476 HD12 ILE 57 1HD1 ILE 57 2.814 -17.892 -6.663 477 HD13 ILE 57 2HD1 ILE 57 3.931 -17.013 -7.712 478 H ILE 58 H ILE 58 0.723 -11.946 -4.662 479 HA ILE 58 HA ILE 58 3.068 -10.647 -3.528 480 HB ILE 58 HB ILE 58 0.097 -10.129 -3.018 481 HG12 ILE 58 2HG1 ILE 58 1.962 -8.710 -4.988 482 HG13 ILE 58 3HG1 ILE 58 0.671 -9.818 -5.425 483 HG21 ILE 58 1HG2 ILE 58 0.792 -7.910 -2.192 484 HG22 ILE 58 2HG2 ILE 58 2.487 -8.341 -2.425 485 HG23 ILE 58 3HG2 ILE 58 1.510 -9.204 -1.235 486 HD11 ILE 58 3HD1 ILE 58 0.026 -7.516 -5.795 487 HD12 ILE 58 1HD1 ILE 58 0.313 -7.130 -4.097 488 HD13 ILE 58 2HD1 ILE 58 -0.984 -8.243 -4.547 489 H THR 59 H THR 59 3.534 -10.541 -1.274 490 HA THR 59 HA THR 59 2.112 -12.390 0.563 491 HB THR 59 HB THR 59 4.305 -12.824 1.699 492 HG1 THR 59 HG1 THR 59 5.834 -11.438 1.217 493 HG21 THR 59 3HG2 THR 59 5.309 -14.332 0.027 494 HG22 THR 59 1HG2 THR 59 4.376 -13.553 -1.256 495 HG23 THR 59 2HG2 THR 59 3.550 -14.462 0.013 496 H ARG 60 H ARG 60 2.548 -11.765 2.887 497 HA ARG 60 HA ARG 60 2.209 -8.963 3.402 498 HB2 ARG 60 2HB ARG 60 1.283 -10.835 4.849 499 HB3 ARG 60 3HB ARG 60 2.924 -11.174 5.390 500 HG2 ARG 60 2HG ARG 60 3.015 -8.776 6.248 501 HG3 ARG 60 3HG ARG 60 1.286 -8.667 5.894 502 HD2 ARG 60 2HD ARG 60 2.661 -10.515 7.864 503 HD3 ARG 60 3HD ARG 60 1.541 -9.199 8.231 504 HE ARG 60 HE ARG 60 0.780 -11.699 6.826 505 HH11 ARG 60 1HH1 ARG 60 -0.020 -9.141 9.089 506 HH12 ARG 60 2HH1 ARG 60 -1.580 -9.799 9.448 507 HH21 ARG 60 1HH2 ARG 60 -1.246 -12.536 7.294 508 HH22 ARG 60 2HH2 ARG 60 -2.278 -11.724 8.427 509 H GLY 61 H GLY 61 3.737 -7.484 4.104 510 HA2 GLY 61 2HA GLY 61 5.768 -6.582 4.735 511 HA3 GLY 61 3HA GLY 61 6.491 -8.182 4.712 512 H ALA 62 H ALA 62 5.129 -8.315 1.857 513 HA ALA 62 HA ALA 62 7.448 -7.607 0.337 514 HB1 ALA 62 3HB ALA 62 6.106 -8.299 -1.625 515 HB2 ALA 62 1HB ALA 62 4.661 -8.375 -0.611 516 HB3 ALA 62 2HB ALA 62 5.998 -9.490 -0.326 517 H VAL 63 H VAL 63 7.751 -5.862 -1.023 518 HA VAL 63 HA VAL 63 6.104 -3.500 -0.503 519 HB VAL 63 HB VAL 63 8.764 -3.749 -1.973 520 HG11 VAL 63 1HG1 VAL 63 7.534 -1.799 -2.755 521 HG12 VAL 63 2HG1 VAL 63 8.908 -1.294 -1.773 522 HG13 VAL 63 3HG1 VAL 63 7.277 -1.252 -1.093 523 HG21 VAL 63 3HG2 VAL 63 9.015 -4.321 0.388 524 HG22 VAL 63 1HG2 VAL 63 8.206 -2.827 0.871 525 HG23 VAL 63 2HG2 VAL 63 9.773 -2.765 0.057 526 H VAL 64 H VAL 64 4.493 -3.070 -1.836 527 HA VAL 64 HA VAL 64 4.647 -3.815 -4.690 528 HB VAL 64 HB VAL 64 2.203 -3.416 -4.785 529 HG11 VAL 64 1HG1 VAL 64 2.987 -5.346 -2.565 530 HG12 VAL 64 2HG1 VAL 64 3.015 -5.687 -4.295 531 HG13 VAL 64 3HG1 VAL 64 1.477 -5.390 -3.486 532 HG21 VAL 64 3HG2 VAL 64 2.341 -2.912 -1.780 533 HG22 VAL 64 1HG2 VAL 64 0.858 -3.072 -2.728 534 HG23 VAL 64 2HG2 VAL 64 1.947 -1.716 -3.016 535 H GLU 65 H GLU 65 4.694 -2.291 -6.215 536 HA GLU 65 HA GLU 65 5.028 0.533 -5.524 537 HB2 GLU 65 2HB GLU 65 6.600 -0.513 -7.155 538 HB3 GLU 65 3HB GLU 65 5.253 -0.951 -8.196 539 HG2 GLU 65 2HG GLU 65 6.411 0.979 -9.093 540 HG3 GLU 65 3HG GLU 65 4.781 1.433 -8.606 541 H THR 66 H THR 66 3.358 1.980 -5.774 542 HA THR 66 HA THR 66 0.944 1.202 -7.311 543 HB THR 66 HB THR 66 -0.549 2.092 -5.609 544 HG1 THR 66 HG1 THR 66 1.528 2.504 -3.745 545 HG21 THR 66 3HG2 THR 66 0.075 -0.264 -5.262 546 HG22 THR 66 1HG2 THR 66 -0.210 0.542 -3.717 547 HG23 THR 66 2HG2 THR 66 1.440 0.230 -4.256 548 H ASN 67 H ASN 67 -0.491 3.282 -7.542 549 HA ASN 67 HA ASN 67 1.013 5.238 -8.941 550 HB2 ASN 67 2HB ASN 67 -1.879 5.247 -8.025 551 HB3 ASN 67 3HB ASN 67 -1.189 6.503 -9.051 552 HD21 ASN 67 1HD2 ASN 67 -3.354 4.747 -9.670 553 HD22 ASN 67 2HD2 ASN 67 -2.895 3.843 -11.063 554 H LEU 68 H LEU 68 0.479 4.954 -5.572 555 HA LEU 68 HA LEU 68 0.864 7.823 -5.037 556 HB2 LEU 68 2HB LEU 68 0.419 5.503 -3.116 557 HB3 LEU 68 3HB LEU 68 0.506 7.201 -2.671 558 HG LEU 68 HG LEU 68 -1.683 5.881 -4.321 559 HD11 LEU 68 1HD1 LEU 68 -1.806 5.354 -1.931 560 HD12 LEU 68 2HD1 LEU 68 -3.138 6.390 -2.421 561 HD13 LEU 68 3HD1 LEU 68 -1.776 7.074 -1.534 562 HD21 LEU 68 3HD2 LEU 68 -1.442 8.808 -3.521 563 HD22 LEU 68 1HD2 LEU 68 -2.845 8.060 -4.291 564 HD23 LEU 68 2HD2 LEU 68 -1.316 8.164 -5.160 565 H GLY 69 H GLY 69 2.269 4.636 -4.344 566 HA2 GLY 69 2HA GLY 69 4.912 5.162 -4.910 567 HA3 GLY 69 3HA GLY 69 4.709 5.616 -3.218 568 H ASN 70 H ASN 70 6.286 3.881 -2.892 569 HA ASN 70 HA ASN 70 5.515 1.123 -3.207 570 HB2 ASN 70 2HB ASN 70 7.728 2.471 -1.600 571 HB3 ASN 70 3HB ASN 70 7.544 0.727 -1.745 572 HD21 ASN 70 1HD2 ASN 70 6.794 0.626 -4.517 573 HD22 ASN 70 2HD2 ASN 70 8.166 1.110 -5.448 574 H VAL 71 H VAL 71 4.717 -0.290 -1.603 575 HA VAL 71 HA VAL 71 3.767 0.905 0.943 576 HB VAL 71 HB VAL 71 2.029 -0.858 -0.865 577 HG11 VAL 71 1HG1 VAL 71 1.271 0.753 1.597 578 HG12 VAL 71 2HG1 VAL 71 1.431 -1.002 1.503 579 HG13 VAL 71 3HG1 VAL 71 0.162 -0.186 0.590 580 HG21 VAL 71 3HG2 VAL 71 2.366 1.278 -2.015 581 HG22 VAL 71 1HG2 VAL 71 1.857 2.167 -0.576 582 HG23 VAL 71 2HG2 VAL 71 0.704 1.146 -1.442 583 H ARG 72 H ARG 72 3.590 -0.580 2.674 584 HA ARG 72 HA ARG 72 4.801 -3.264 2.351 585 HB2 ARG 72 2HB ARG 72 4.048 -1.673 4.852 586 HB3 ARG 72 3HB ARG 72 4.517 -3.369 4.917 587 HG2 ARG 72 2HG ARG 72 6.243 -1.112 3.916 588 HG3 ARG 72 3HG ARG 72 6.355 -1.843 5.515 589 HD2 ARG 72 2HD ARG 72 7.025 -3.978 4.519 590 HD3 ARG 72 3HD ARG 72 6.810 -3.315 2.891 591 HE ARG 72 HE ARG 72 8.585 -1.635 4.205 592 HH11 ARG 72 1HH1 ARG 72 8.623 -5.012 3.214 593 HH12 ARG 72 2HH1 ARG 72 10.332 -5.027 2.941 594 HH21 ARG 72 1HH2 ARG 72 10.808 -1.671 3.806 595 HH22 ARG 72 2HH2 ARG 72 11.571 -3.135 3.272 596 H VAL 73 H VAL 73 3.412 -4.899 1.983 597 HA VAL 73 HA VAL 73 0.552 -4.594 2.281 598 HB VAL 73 HB VAL 73 2.180 -7.112 1.659 599 HG11 VAL 73 1HG1 VAL 73 0.064 -8.041 0.747 600 HG12 VAL 73 2HG1 VAL 73 -0.807 -6.603 1.290 601 HG13 VAL 73 3HG1 VAL 73 -0.073 -7.689 2.471 602 HG21 VAL 73 3HG2 VAL 73 1.606 -6.654 -0.705 603 HG22 VAL 73 1HG2 VAL 73 2.553 -5.343 -0.009 604 HG23 VAL 73 2HG2 VAL 73 0.812 -5.152 -0.237 605 H THR 74 H THR 74 -0.596 -5.048 4.102 606 HA THR 74 HA THR 74 0.828 -6.164 6.451 607 HB THR 74 HB THR 74 -0.776 -4.781 7.805 608 HG1 THR 74 HG1 THR 74 -1.715 -2.991 6.271 609 HG21 THR 74 3HG2 THR 74 0.836 -3.159 5.791 610 HG22 THR 74 1HG2 THR 74 1.461 -3.856 7.292 611 HG23 THR 74 2HG2 THR 74 0.247 -2.578 7.350 612 H SER 75 H SER 75 -2.108 -6.207 4.534 613 HA SER 75 HA SER 75 -3.340 -8.332 6.168 614 HB2 SER 75 2HB SER 75 -4.675 -6.305 5.449 615 HB3 SER 75 3HB SER 75 -4.491 -6.822 3.775 616 HG SER 75 HG SER 75 -6.145 -7.771 5.765 617 H ARG 76 H ARG 76 -4.612 -9.962 4.572 618 HA ARG 76 HA ARG 76 -2.650 -11.352 2.959 619 HB2 ARG 76 2HB ARG 76 -5.545 -11.952 3.667 620 HB3 ARG 76 3HB ARG 76 -4.663 -12.924 2.500 621 HG2 ARG 76 2HG ARG 76 -4.582 -14.082 4.580 622 HG3 ARG 76 3HG ARG 76 -2.971 -13.437 4.279 623 HD2 ARG 76 2HD ARG 76 -3.529 -13.153 6.618 624 HD3 ARG 76 3HD ARG 76 -3.463 -11.566 5.850 625 HE ARG 76 HE ARG 76 -5.948 -11.664 5.749 626 HH11 ARG 76 1HH1 ARG 76 -4.315 -13.660 8.147 627 HH12 ARG 76 2HH1 ARG 76 -5.670 -13.670 9.224 628 HH21 ARG 76 1HH2 ARG 76 -7.698 -11.695 7.197 629 HH22 ARG 76 2HH2 ARG 76 -7.573 -12.562 8.691 630 HA PRO 77 HA PRO 77 -3.614 -8.972 -0.680 631 HB2 PRO 77 2HB PRO 77 -2.346 -10.456 -2.599 632 HB3 PRO 77 3HB PRO 77 -1.480 -9.496 -1.392 633 HG2 PRO 77 2HG PRO 77 -2.088 -12.454 -1.371 634 HG3 PRO 77 3HG PRO 77 -0.553 -11.624 -1.020 635 HD2 PRO 77 2HD PRO 77 -2.202 -12.482 0.957 636 HD3 PRO 77 3HD PRO 77 -1.238 -10.995 1.123 637 H GLY 78 H GLY 78 -5.805 -9.050 -0.955 638 HA2 GLY 78 2HA GLY 78 -7.604 -9.201 -2.356 639 HA3 GLY 78 3HA GLY 78 -6.695 -10.306 -3.375 640 H GLN 79 H GLN 79 -6.683 -11.562 -0.273 641 HA GLN 79 HA GLN 79 -8.176 -13.834 -1.108 642 HB2 GLN 79 2HB GLN 79 -7.091 -13.109 1.645 643 HB3 GLN 79 3HB GLN 79 -7.717 -14.694 1.204 644 HG2 GLN 79 2HG GLN 79 -5.289 -13.356 -0.031 645 HG3 GLN 79 3HG GLN 79 -5.251 -14.630 1.188 646 HE21 GLN 79 1HE2 GLN 79 -5.833 -13.901 -2.173 647 HE22 GLN 79 2HE2 GLN 79 -5.882 -15.537 -2.725 648 H ASP 80 H ASP 80 -8.839 -11.274 1.256 649 HA ASP 80 HA ASP 80 -11.594 -12.165 1.702 650 HB2 ASP 80 2HB ASP 80 -10.183 -11.359 3.579 651 HB3 ASP 80 3HB ASP 80 -10.004 -9.800 2.794 652 H GLY 81 H GLY 81 -10.242 -10.728 -0.828 653 HA2 GLY 81 2HA GLY 81 -11.037 -9.432 -2.572 654 HA3 GLY 81 3HA GLY 81 -12.501 -9.104 -1.645 655 H VAL 82 H VAL 82 -9.162 -8.665 -0.734 656 HA VAL 82 HA VAL 82 -9.128 -5.811 -0.883 657 HB VAL 82 HB VAL 82 -10.637 -6.095 1.105 658 HG11 VAL 82 1HG1 VAL 82 -8.248 -7.341 2.505 659 HG12 VAL 82 2HG1 VAL 82 -9.731 -8.173 2.044 660 HG13 VAL 82 3HG1 VAL 82 -9.784 -6.899 3.261 661 HG21 VAL 82 3HG2 VAL 82 -7.964 -4.811 1.758 662 HG22 VAL 82 1HG2 VAL 82 -9.489 -4.491 2.587 663 HG23 VAL 82 2HG2 VAL 82 -9.300 -4.056 0.888 664 H ILE 83 H ILE 83 -7.060 -5.071 -0.821 665 HA ILE 83 HA ILE 83 -4.959 -6.669 0.526 666 HB ILE 83 HB ILE 83 -4.423 -4.743 -1.814 667 HG12 ILE 83 2HG1 ILE 83 -4.593 -7.794 -1.988 668 HG13 ILE 83 3HG1 ILE 83 -5.736 -6.666 -2.699 669 HG21 ILE 83 1HG2 ILE 83 -2.633 -6.846 -0.510 670 HG22 ILE 83 2HG2 ILE 83 -2.536 -5.101 -0.260 671 HG23 ILE 83 3HG2 ILE 83 -2.178 -5.780 -1.846 672 HD11 ILE 83 3HD1 ILE 83 -4.259 -7.545 -4.384 673 HD12 ILE 83 1HD1 ILE 83 -2.845 -6.998 -3.487 674 HD13 ILE 83 2HD1 ILE 83 -3.963 -5.818 -4.181 675 H ASN 84 H ASN 84 -4.091 -5.479 2.202 676 HA ASN 84 HA ASN 84 -4.581 -2.542 2.286 677 HB2 ASN 84 2HB ASN 84 -4.626 -4.529 4.606 678 HB3 ASN 84 3HB ASN 84 -4.610 -2.781 4.816 679 HD21 ASN 84 1HD2 ASN 84 -6.629 -4.889 5.492 680 HD22 ASN 84 2HD2 ASN 84 -8.098 -4.303 4.809 681 H GLY 85 H GLY 85 -2.965 -1.275 3.210 682 HA2 GLY 85 2HA GLY 85 -0.602 -2.354 4.390 683 HA3 GLY 85 3HA GLY 85 -0.318 -1.888 2.715 684 H VAL 86 H VAL 86 1.240 -0.622 4.250 685 HA VAL 86 HA VAL 86 0.102 2.085 4.713 686 HB VAL 86 HB VAL 86 1.795 2.412 6.548 687 HG11 VAL 86 1HG1 VAL 86 0.557 1.145 8.275 688 HG12 VAL 86 2HG1 VAL 86 -0.178 0.140 7.022 689 HG13 VAL 86 3HG1 VAL 86 -0.536 1.868 7.095 690 HG21 VAL 86 3HG2 VAL 86 2.898 0.451 7.584 691 HG22 VAL 86 1HG2 VAL 86 3.431 0.661 5.915 692 HG23 VAL 86 2HG2 VAL 86 2.261 -0.599 6.315 693 H LEU 87 H LEU 87 1.223 3.788 3.859 694 HA LEU 87 HA LEU 87 2.879 3.236 1.628 695 HB2 LEU 87 2HB LEU 87 1.277 5.191 1.859 696 HB3 LEU 87 3HB LEU 87 2.429 5.943 2.945 697 HG LEU 87 HG LEU 87 4.106 6.048 1.095 698 HD11 LEU 87 1HD1 LEU 87 3.446 5.591 -1.226 699 HD12 LEU 87 2HD1 LEU 87 1.881 4.986 -0.677 700 HD13 LEU 87 3HD1 LEU 87 3.361 4.131 -0.245 701 HD21 LEU 87 3HD2 LEU 87 1.439 7.343 0.419 702 HD22 LEU 87 1HD2 LEU 87 3.013 7.832 -0.220 703 HD23 LEU 87 2HD2 LEU 87 2.674 7.993 1.501 704 H ILE 88 H ILE 88 5.016 3.324 1.349 705 HA ILE 88 HA ILE 88 6.869 4.253 3.444 706 HB ILE 88 HB ILE 88 8.324 2.264 3.086 707 HG12 ILE 88 2HG1 ILE 88 6.020 1.196 1.385 708 HG13 ILE 88 3HG1 ILE 88 7.578 1.721 0.769 709 HG21 ILE 88 1HG2 ILE 88 6.742 2.220 4.981 710 HG22 ILE 88 2HG2 ILE 88 7.008 0.599 4.343 711 HG23 ILE 88 3HG2 ILE 88 5.516 1.461 3.959 712 HD11 ILE 88 3HD1 ILE 88 7.531 -0.632 0.773 713 HD12 ILE 88 1HD1 ILE 88 6.990 -0.688 2.443 714 HD13 ILE 88 2HD1 ILE 88 8.618 -0.133 2.068 715 H ARG 89 H ARG 89 9.209 4.103 2.443 716 HA ARG 89 HA ARG 89 9.195 5.137 -0.335 717 HB2 ARG 89 2HB ARG 89 10.727 6.349 2.019 718 HB3 ARG 89 3HB ARG 89 10.692 6.965 0.370 719 HG2 ARG 89 2HG ARG 89 8.372 7.631 0.595 720 HG3 ARG 89 3HG ARG 89 8.234 6.804 2.148 721 HD2 ARG 89 2HD ARG 89 9.877 8.402 3.116 722 HD3 ARG 89 3HD ARG 89 9.931 9.254 1.567 723 HE ARG 89 HE ARG 89 7.435 8.962 3.134 724 HH11 ARG 89 1HH1 ARG 89 9.688 11.033 1.413 725 HH12 ARG 89 2HH1 ARG 89 8.700 12.448 1.585 726 HH21 ARG 89 1HH2 ARG 89 6.182 10.835 3.398 727 HH22 ARG 89 2HH2 ARG 89 6.722 12.334 2.709 728 H GLU 90 H GLU 90 9.984 2.998 -0.927 729 HA GLU 90 HA GLU 90 12.700 2.258 -0.029 730 HB2 GLU 90 2HB GLU 90 10.854 0.730 -1.927 731 HB3 GLU 90 3HB GLU 90 12.340 0.134 -1.198 732 HG2 GLU 90 2HG GLU 90 9.732 0.738 0.204 733 HG3 GLU 90 3HG GLU 90 10.445 -0.846 -0.079 734 H LEU 91 H LEU 91 11.233 1.899 -3.231 735 HA LEU 91 HA LEU 91 13.407 3.252 -4.601 736 HB2 LEU 91 2HB LEU 91 10.780 2.085 -5.639 737 HB3 LEU 91 3HB LEU 91 12.102 2.658 -6.648 738 HG LEU 91 HG LEU 91 12.297 0.289 -4.745 739 HD11 LEU 91 1HD1 LEU 91 10.741 -0.210 -6.570 740 HD12 LEU 91 2HD1 LEU 91 12.225 -1.145 -6.726 741 HD13 LEU 91 3HD1 LEU 91 11.961 0.265 -7.757 742 HD21 LEU 91 3HD2 LEU 91 14.244 1.273 -6.862 743 HD22 LEU 91 1HD2 LEU 91 14.419 -0.205 -5.911 744 HD23 LEU 91 2HD2 LEU 91 14.471 1.365 -5.114 745 H GLU 92 H GLU 92 13.276 5.401 -3.975 746 HA GLU 92 HA GLU 92 10.944 6.886 -3.495 747 HB2 GLU 92 2HB GLU 92 12.445 8.900 -3.648 748 HB3 GLU 92 3HB GLU 92 13.054 7.633 -2.587 749 HG2 GLU 92 2HG GLU 92 14.768 7.014 -4.078 750 HG3 GLU 92 3HG GLU 92 13.996 7.793 -5.454 751 H HIS 93 H HIS 93 9.461 7.757 -4.869 752 HA HIS 93 HA HIS 93 9.908 8.033 -7.714 753 HB2 HIS 93 2HB HIS 93 7.646 7.566 -6.635 754 HB3 HIS 93 3HB HIS 93 7.632 9.228 -6.061 755 HD1 HIS 93 HD1 HIS 93 7.372 7.191 -9.216 756 HD2 HIS 93 HD2 HIS 93 6.951 11.140 -8.009 757 HE1 HIS 93 HE1 HIS 93 6.326 8.377 -11.162 758 HE2 HIS 93 HE2 HIS 93 6.275 10.795 -10.473 759 H HIS 94 H HIS 94 10.055 10.042 -4.860 760 HA HIS 94 HA HIS 94 12.040 11.740 -5.961 761 HB2 HIS 94 2HB HIS 94 10.926 13.927 -5.764 762 HB3 HIS 94 3HB HIS 94 10.029 12.927 -6.902 763 HD1 HIS 94 HD1 HIS 94 9.519 15.100 -4.102 764 HD2 HIS 94 HD2 HIS 94 7.659 11.651 -5.492 765 HE1 HIS 94 HE1 HIS 94 7.282 15.041 -2.983 766 HE2 HIS 94 HE2 HIS 94 6.253 12.867 -3.701 767 H HIS 95 H HIS 95 13.330 12.389 -4.281 768 HA HIS 95 HA HIS 95 12.481 12.936 -1.626 769 HB2 HIS 95 2HB HIS 95 12.189 10.432 -1.589 770 HB3 HIS 95 3HB HIS 95 13.895 10.247 -1.972 771 HD1 HIS 95 HD1 HIS 95 15.501 10.321 -0.038 772 HD2 HIS 95 HD2 HIS 95 11.671 11.488 1.054 773 HE1 HIS 95 HE1 HIS 95 15.542 10.504 2.461 774 HE2 HIS 95 HE2 HIS 95 13.248 11.301 3.096 775 H HIS 96 H HIS 96 15.037 11.965 -3.826 776 HA HIS 96 HA HIS 96 17.248 13.086 -2.424 777 HB2 HIS 96 2HB HIS 96 17.408 11.301 -4.215 778 HB3 HIS 96 3HB HIS 96 16.997 12.517 -5.416 779 HD1 HIS 96 HD1 HIS 96 19.835 11.032 -3.680 780 HD2 HIS 96 HD2 HIS 96 19.083 14.624 -5.621 781 HE1 HIS 96 HE1 HIS 96 22.079 12.021 -4.169 782 HE2 HIS 96 HE2 HIS 96 21.584 14.290 -5.113 783 H HIS 97 H HIS 97 16.591 15.156 -1.815 784 HA HIS 97 HA HIS 97 15.671 17.157 -3.668 785 HB2 HIS 97 2HB HIS 97 15.846 18.734 -1.776 786 HB3 HIS 97 3HB HIS 97 15.011 17.264 -1.298 787 HD1 HIS 97 HD1 HIS 97 18.016 19.318 -0.568 788 HD2 HIS 97 HD2 HIS 97 16.444 15.640 0.572 789 HE1 HIS 97 HE1 HIS 97 19.342 18.610 1.439 790 HE2 HIS 97 HE2 HIS 97 18.465 16.328 2.024 791 H HIS 98 H HIS 98 18.774 16.278 -2.258 792 HA HIS 98 HA HIS 98 20.289 17.327 -4.403 793 HB2 HIS 98 2HB HIS 98 19.883 19.501 -3.223 794 HB3 HIS 98 3HB HIS 98 20.612 18.849 -1.762 795 HD1 HIS 98 HD1 HIS 98 21.439 20.219 -5.123 796 HD2 HIS 98 HD2 HIS 98 23.471 18.626 -1.864 797 HE1 HIS 98 HE1 HIS 98 23.860 20.733 -5.520 798 HE2 HIS 98 HE2 HIS 98 25.079 19.607 -3.628 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -25.681 4.895 39.606 2 H2 GLY 1 2H GLY 1 -25.964 4.228 38.080 3 H3 GLY 1 3H GLY 1 -27.143 5.198 38.811 4 HA2 GLY 1 2HA GLY 1 -25.655 7.109 38.704 5 HA3 GLY 1 3HA GLY 1 -24.468 6.085 37.897 6 H ASP 2 H ASP 2 -24.512 7.550 36.134 7 HA ASP 2 HA ASP 2 -26.902 8.110 34.639 8 HB2 ASP 2 2HB ASP 2 -24.903 9.671 34.779 9 HB3 ASP 2 3HB ASP 2 -23.979 8.522 33.811 10 H ARG 3 H ARG 3 -27.858 6.351 33.732 11 HA ARG 3 HA ARG 3 -26.433 4.242 32.353 12 HB2 ARG 3 2HB ARG 3 -29.393 4.871 32.591 13 HB3 ARG 3 3HB ARG 3 -28.764 3.468 31.732 14 HG2 ARG 3 2HG ARG 3 -27.803 2.593 33.819 15 HG3 ARG 3 3HG ARG 3 -28.350 4.029 34.690 16 HD2 ARG 3 2HD ARG 3 -30.158 2.014 33.317 17 HD3 ARG 3 3HD ARG 3 -29.844 2.100 35.053 18 HE ARG 3 HE ARG 3 -30.756 4.473 34.841 19 HH11 ARG 3 1HH1 ARG 3 -31.991 1.805 32.870 20 HH12 ARG 3 2HH1 ARG 3 -33.550 2.534 32.674 21 HH21 ARG 3 1HH2 ARG 3 -32.819 5.367 34.569 22 HH22 ARG 3 2HH2 ARG 3 -34.012 4.529 33.633 23 H ARG 4 H ARG 4 -25.305 5.880 30.961 24 HA ARG 4 HA ARG 4 -26.754 6.981 28.707 25 HB2 ARG 4 2HB ARG 4 -24.697 8.056 29.619 26 HB3 ARG 4 3HB ARG 4 -23.758 6.638 29.166 27 HG2 ARG 4 2HG ARG 4 -24.276 7.071 26.783 28 HG3 ARG 4 3HG ARG 4 -25.193 8.506 27.248 29 HD2 ARG 4 2HD ARG 4 -23.168 9.558 28.133 30 HD3 ARG 4 3HD ARG 4 -22.231 8.095 27.801 31 HE ARG 4 HE ARG 4 -23.165 8.659 25.367 32 HH11 ARG 4 1HH1 ARG 4 -21.662 10.826 27.709 33 HH12 ARG 4 2HH1 ARG 4 -20.913 11.809 26.491 34 HH21 ARG 4 1HH2 ARG 4 -22.161 9.975 23.792 35 HH22 ARG 4 2HH2 ARG 4 -21.194 11.324 24.286 36 H VAL 5 H VAL 5 -27.814 5.122 27.952 37 HA VAL 5 HA VAL 5 -26.285 2.799 27.045 38 HB VAL 5 HB VAL 5 -29.292 3.325 26.877 39 HG11 VAL 5 1HG1 VAL 5 -27.748 0.731 26.481 40 HG12 VAL 5 2HG1 VAL 5 -28.585 1.649 25.231 41 HG13 VAL 5 3HG1 VAL 5 -29.507 0.879 26.520 42 HG21 VAL 5 3HG2 VAL 5 -28.541 3.270 29.221 43 HG22 VAL 5 1HG2 VAL 5 -27.735 1.723 28.953 44 HG23 VAL 5 2HG2 VAL 5 -29.495 1.835 28.847 45 H ARG 6 H ARG 6 -25.084 3.526 25.355 46 HA ARG 6 HA ARG 6 -26.080 5.113 23.176 47 HB2 ARG 6 2HB ARG 6 -23.670 5.056 24.026 48 HB3 ARG 6 3HB ARG 6 -23.498 3.470 23.298 49 HG2 ARG 6 2HG ARG 6 -24.258 5.889 21.630 50 HG3 ARG 6 3HG ARG 6 -22.577 5.550 22.026 51 HD2 ARG 6 2HD ARG 6 -22.742 3.364 20.906 52 HD3 ARG 6 3HD ARG 6 -24.443 3.676 20.534 53 HE ARG 6 HE ARG 6 -23.310 5.787 19.391 54 HH11 ARG 6 1HH1 ARG 6 -22.371 2.400 19.166 55 HH12 ARG 6 2HH1 ARG 6 -21.662 2.579 17.594 56 HH21 ARG 6 1HH2 ARG 6 -22.396 6.001 17.333 57 HH22 ARG 6 2HH2 ARG 6 -21.656 4.634 16.561 58 H LEU 7 H LEU 7 -27.835 4.056 22.322 59 HA LEU 7 HA LEU 7 -27.844 1.299 21.523 60 HB2 LEU 7 2HB LEU 7 -29.778 3.585 20.995 61 HB3 LEU 7 3HB LEU 7 -30.061 1.941 20.441 62 HG LEU 7 HG LEU 7 -29.795 2.781 23.359 63 HD11 LEU 7 1HD1 LEU 7 -31.890 3.611 22.387 64 HD12 LEU 7 2HD1 LEU 7 -32.195 2.327 23.553 65 HD13 LEU 7 3HD1 LEU 7 -32.290 1.985 21.824 66 HD21 LEU 7 3HD2 LEU 7 -30.497 0.067 22.178 67 HD22 LEU 7 1HD2 LEU 7 -30.522 0.490 23.891 68 HD23 LEU 7 2HD2 LEU 7 -28.998 0.485 23.015 69 H ILE 8 H ILE 8 -26.494 0.721 19.986 70 HA ILE 8 HA ILE 8 -25.658 2.367 17.789 71 HB ILE 8 HB ILE 8 -24.097 0.776 18.770 72 HG12 ILE 8 2HG1 ILE 8 -24.781 -0.097 15.918 73 HG13 ILE 8 3HG1 ILE 8 -23.794 1.297 16.349 74 HG21 ILE 8 1HG2 ILE 8 -24.349 -1.668 18.621 75 HG22 ILE 8 2HG2 ILE 8 -25.930 -1.473 17.864 76 HG23 ILE 8 3HG2 ILE 8 -25.680 -0.949 19.529 77 HD11 ILE 8 3HD1 ILE 8 -22.400 -0.536 15.648 78 HD12 ILE 8 1HD1 ILE 8 -23.120 -1.601 16.854 79 HD13 ILE 8 2HD1 ILE 8 -22.139 -0.224 17.362 80 H ARG 9 H ARG 9 -26.522 2.522 15.809 81 HA ARG 9 HA ARG 9 -28.098 0.346 14.630 82 HB2 ARG 9 2HB ARG 9 -29.662 2.057 15.719 83 HB3 ARG 9 3HB ARG 9 -29.070 3.235 14.553 84 HG2 ARG 9 2HG ARG 9 -29.941 1.861 12.706 85 HG3 ARG 9 3HG ARG 9 -30.484 0.637 13.855 86 HD2 ARG 9 2HD ARG 9 -32.401 1.924 13.242 87 HD3 ARG 9 3HD ARG 9 -31.975 2.398 14.889 88 HE ARG 9 HE ARG 9 -30.900 4.064 12.756 89 HH11 ARG 9 1HH1 ARG 9 -33.423 3.692 15.184 90 HH12 ARG 9 2HH1 ARG 9 -34.000 5.315 14.994 91 HH21 ARG 9 1HH2 ARG 9 -31.686 6.180 12.521 92 HH22 ARG 9 2HH2 ARG 9 -33.019 6.721 13.485 93 H THR 10 H THR 10 -28.304 0.592 12.274 94 HA THR 10 HA THR 10 -27.376 0.615 10.250 95 HB THR 10 HB THR 10 -26.102 3.262 11.082 96 HG1 THR 10 HG1 THR 10 -28.425 3.183 11.032 97 HG21 THR 10 3HG2 THR 10 -26.424 2.085 8.281 98 HG22 THR 10 1HG2 THR 10 -24.892 2.295 9.133 99 HG23 THR 10 2HG2 THR 10 -25.833 3.706 8.650 100 H ARG 11 H ARG 11 -26.138 -1.138 10.255 101 HA ARG 11 HA ARG 11 -23.504 -1.317 11.439 102 HB2 ARG 11 2HB ARG 11 -24.787 -3.175 9.375 103 HB3 ARG 11 3HB ARG 11 -23.439 -3.559 10.440 104 HG2 ARG 11 2HG ARG 11 -26.312 -3.074 11.277 105 HG3 ARG 11 3HG ARG 11 -25.474 -4.627 11.249 106 HD2 ARG 11 2HD ARG 11 -23.931 -3.815 12.991 107 HD3 ARG 11 3HD ARG 11 -24.774 -2.262 13.022 108 HE ARG 11 HE ARG 11 -26.675 -4.257 13.458 109 HH11 ARG 11 1HH1 ARG 11 -23.839 -3.047 15.132 110 HH12 ARG 11 2HH1 ARG 11 -24.492 -3.356 16.708 111 HH21 ARG 11 1HH2 ARG 11 -27.529 -4.655 15.525 112 HH22 ARG 11 2HH2 ARG 11 -26.581 -4.278 16.931 113 H GLY 12 H GLY 12 -24.896 -0.714 8.288 114 HA2 GLY 12 2HA GLY 12 -23.854 0.551 6.554 115 HA3 GLY 12 3HA GLY 12 -22.273 0.025 7.126 116 H GLY 13 H GLY 13 -23.080 -0.174 4.451 117 HA2 GLY 13 2HA GLY 13 -22.408 -2.774 3.725 118 HA3 GLY 13 3HA GLY 13 -24.167 -2.702 3.732 119 H ASN 14 H ASN 14 -21.411 -2.155 1.895 120 HA ASN 14 HA ASN 14 -22.947 -0.828 -0.234 121 HB2 ASN 14 2HB ASN 14 -21.655 0.923 1.167 122 HB3 ASN 14 3HB ASN 14 -20.173 0.198 0.561 123 HD21 ASN 14 1HD2 ASN 14 -21.146 2.910 0.208 124 HD22 ASN 14 2HD2 ASN 14 -21.270 3.178 -1.496 125 H THR 15 H THR 15 -22.923 -2.734 -1.365 126 HA THR 15 HA THR 15 -20.375 -3.999 -2.140 127 HB THR 15 HB THR 15 -21.859 -5.791 -3.110 128 HG1 THR 15 HG1 THR 15 -23.746 -3.925 -2.843 129 HG21 THR 15 3HG2 THR 15 -22.475 -5.145 -0.199 130 HG22 THR 15 1HG2 THR 15 -21.079 -6.052 -0.785 131 HG23 THR 15 2HG2 THR 15 -22.702 -6.715 -0.973 132 H LYS 16 H LYS 16 -19.433 -3.129 -3.927 133 HA LYS 16 HA LYS 16 -21.125 -2.188 -6.186 134 HB2 LYS 16 2HB LYS 16 -18.540 -0.991 -5.109 135 HB3 LYS 16 3HB LYS 16 -19.205 -0.561 -6.683 136 HG2 LYS 16 2HG LYS 16 -20.668 -0.204 -4.046 137 HG3 LYS 16 3HG LYS 16 -19.761 1.069 -4.869 138 HD2 LYS 16 2HD LYS 16 -21.287 1.030 -6.758 139 HD3 LYS 16 3HD LYS 16 -22.111 -0.403 -6.137 140 HE2 LYS 16 2HE LYS 16 -23.387 1.718 -5.772 141 HE3 LYS 16 3HE LYS 16 -23.024 0.858 -4.277 142 HZ1 LYS 16 3HZ LYS 16 -21.209 2.385 -3.873 143 HZ2 LYS 16 1HZ LYS 16 -22.661 3.230 -4.072 144 HZ3 LYS 16 2HZ LYS 16 -21.528 3.192 -5.325 145 H VAL 17 H VAL 17 -17.609 -2.703 -5.890 146 HA VAL 17 HA VAL 17 -17.615 -4.944 -7.727 147 HB VAL 17 HB VAL 17 -17.799 -2.975 -9.272 148 HG11 VAL 17 1HG1 VAL 17 -15.138 -2.077 -8.112 149 HG12 VAL 17 2HG1 VAL 17 -16.691 -1.262 -7.922 150 HG13 VAL 17 3HG1 VAL 17 -15.942 -1.363 -9.516 151 HG21 VAL 17 3HG2 VAL 17 -15.933 -3.553 -10.781 152 HG22 VAL 17 1HG2 VAL 17 -16.658 -4.998 -10.071 153 HG23 VAL 17 2HG2 VAL 17 -15.114 -4.393 -9.462 154 H ARG 18 H ARG 18 -15.662 -6.061 -7.681 155 HA ARG 18 HA ARG 18 -13.882 -5.568 -5.431 156 HB2 ARG 18 2HB ARG 18 -13.893 -7.791 -7.530 157 HB3 ARG 18 3HB ARG 18 -12.895 -7.772 -6.085 158 HG2 ARG 18 2HG ARG 18 -15.903 -8.081 -6.249 159 HG3 ARG 18 3HG ARG 18 -14.722 -9.266 -5.688 160 HD2 ARG 18 2HD ARG 18 -15.573 -6.703 -4.312 161 HD3 ARG 18 3HD ARG 18 -15.840 -8.361 -3.765 162 HE ARG 18 HE ARG 18 -13.057 -7.794 -4.048 163 HH11 ARG 18 1HH1 ARG 18 -15.760 -7.409 -1.824 164 HH12 ARG 18 2HH1 ARG 18 -14.729 -7.100 -0.460 165 HH21 ARG 18 1HH2 ARG 18 -11.744 -7.363 -2.259 166 HH22 ARG 18 2HH2 ARG 18 -12.467 -7.071 -0.710 167 H LEU 19 H LEU 19 -11.453 -6.624 -6.593 168 HA LEU 19 HA LEU 19 -10.447 -4.403 -8.154 169 HB2 LEU 19 2HB LEU 19 -8.295 -5.318 -7.845 170 HB3 LEU 19 3HB LEU 19 -9.147 -5.599 -6.347 171 HG LEU 19 HG LEU 19 -8.427 -7.691 -8.441 172 HD11 LEU 19 1HD1 LEU 19 -6.511 -6.903 -7.122 173 HD12 LEU 19 2HD1 LEU 19 -6.897 -8.580 -6.753 174 HD13 LEU 19 3HD1 LEU 19 -7.358 -7.303 -5.624 175 HD21 LEU 19 3HD2 LEU 19 -9.869 -8.144 -5.808 176 HD22 LEU 19 1HD2 LEU 19 -9.256 -9.403 -6.885 177 HD23 LEU 19 2HD2 LEU 19 -10.552 -8.338 -7.422 178 H ALA 20 H ALA 20 -12.497 -5.469 -9.549 179 HA ALA 20 HA ALA 20 -11.674 -7.469 -11.505 180 HB1 ALA 20 3HB ALA 20 -14.058 -7.369 -12.171 181 HB2 ALA 20 1HB ALA 20 -14.319 -6.032 -11.050 182 HB3 ALA 20 2HB ALA 20 -13.892 -7.631 -10.435 183 H SER 21 H SER 21 -10.101 -5.334 -11.780 184 HA SER 21 HA SER 21 -10.694 -4.250 -14.406 185 HB2 SER 21 2HB SER 21 -10.073 -2.418 -12.020 186 HB3 SER 21 3HB SER 21 -10.203 -1.898 -13.700 187 HG SER 21 HG SER 21 -12.443 -3.053 -13.333 188 H ASP 22 H ASP 22 -8.557 -3.867 -11.609 189 HA ASP 22 HA ASP 22 -6.335 -5.289 -12.747 190 HB2 ASP 22 2HB ASP 22 -6.107 -3.009 -13.827 191 HB3 ASP 22 3HB ASP 22 -6.049 -2.276 -12.234 192 H THR 23 H THR 23 -4.404 -5.031 -11.006 193 HA THR 23 HA THR 23 -5.402 -6.023 -8.572 194 HB THR 23 HB THR 23 -2.589 -4.993 -9.137 195 HG1 THR 23 HG1 THR 23 -3.196 -7.710 -9.298 196 HG21 THR 23 3HG2 THR 23 -1.898 -6.621 -7.420 197 HG22 THR 23 1HG2 THR 23 -3.591 -7.049 -7.124 198 HG23 THR 23 2HG2 THR 23 -3.000 -5.431 -6.737 199 H ARG 24 H ARG 24 -6.238 -4.918 -6.917 200 HA ARG 24 HA ARG 24 -5.802 -1.996 -6.707 201 HB2 ARG 24 2HB ARG 24 -8.117 -2.993 -7.322 202 HB3 ARG 24 3HB ARG 24 -8.203 -3.563 -5.665 203 HG2 ARG 24 2HG ARG 24 -9.450 -1.511 -5.863 204 HG3 ARG 24 3HG ARG 24 -8.014 -1.203 -4.875 205 HD2 ARG 24 2HD ARG 24 -8.483 0.604 -6.515 206 HD3 ARG 24 3HD ARG 24 -6.903 -0.136 -6.750 207 HE ARG 24 HE ARG 24 -7.618 -1.052 -8.767 208 HH11 ARG 24 1HH1 ARG 24 -10.370 0.485 -7.202 209 HH12 ARG 24 2HH1 ARG 24 -11.282 0.609 -8.670 210 HH21 ARG 24 1HH2 ARG 24 -8.826 -0.872 -10.672 211 HH22 ARG 24 2HH2 ARG 24 -10.409 -0.162 -10.638 212 H ILE 25 H ILE 25 -5.299 -1.103 -4.752 213 HA ILE 25 HA ILE 25 -5.217 -2.736 -2.305 214 HB ILE 25 HB ILE 25 -2.933 -2.844 -3.284 215 HG12 ILE 25 2HG1 ILE 25 -2.992 -1.048 -0.803 216 HG13 ILE 25 3HG1 ILE 25 -3.195 -2.794 -0.788 217 HG21 ILE 25 1HG2 ILE 25 -1.532 -0.829 -3.546 218 HG22 ILE 25 2HG2 ILE 25 -2.900 0.195 -3.110 219 HG23 ILE 25 3HG2 ILE 25 -2.952 -0.759 -4.593 220 HD11 ILE 25 3HD1 ILE 25 -0.972 -2.196 -0.110 221 HD12 ILE 25 1HD1 ILE 25 -0.708 -1.303 -1.607 222 HD13 ILE 25 2HD1 ILE 25 -0.911 -3.058 -1.646 223 H ASN 26 H ASN 26 -5.578 -1.520 -0.428 224 HA ASN 26 HA ASN 26 -6.251 1.332 -0.714 225 HB2 ASN 26 2HB ASN 26 -6.705 -0.561 1.645 226 HB3 ASN 26 3HB ASN 26 -7.265 1.106 1.540 227 HD21 ASN 26 1HD2 ASN 26 -8.849 -1.286 1.937 228 HD22 ASN 26 2HD2 ASN 26 -9.968 -1.366 0.625 229 H VAL 27 H VAL 27 -4.433 2.470 -0.635 230 HA VAL 27 HA VAL 27 -2.095 1.725 0.909 231 HB VAL 27 HB VAL 27 -2.650 4.162 -0.855 232 HG11 VAL 27 1HG1 VAL 27 -0.859 4.653 0.740 233 HG12 VAL 27 2HG1 VAL 27 -0.199 4.501 -0.887 234 HG13 VAL 27 3HG1 VAL 27 0.000 3.185 0.275 235 HG21 VAL 27 3HG2 VAL 27 -1.161 1.590 -1.518 236 HG22 VAL 27 1HG2 VAL 27 -1.303 3.000 -2.575 237 HG23 VAL 27 2HG2 VAL 27 -2.740 2.075 -2.141 238 H VAL 28 H VAL 28 -2.210 2.148 3.067 239 HA VAL 28 HA VAL 28 -3.605 4.545 4.066 240 HB VAL 28 HB VAL 28 -2.484 2.193 5.675 241 HG11 VAL 28 1HG1 VAL 28 -4.435 4.383 6.495 242 HG12 VAL 28 2HG1 VAL 28 -2.758 4.220 7.020 243 HG13 VAL 28 3HG1 VAL 28 -3.948 3.010 7.495 244 HG21 VAL 28 3HG2 VAL 28 -5.348 2.585 4.719 245 HG22 VAL 28 1HG2 VAL 28 -4.793 1.324 5.824 246 HG23 VAL 28 2HG2 VAL 28 -4.217 1.350 4.157 247 H ASP 29 H ASP 29 -2.161 6.185 3.828 248 HA ASP 29 HA ASP 29 0.590 6.206 4.229 249 HB2 ASP 29 2HB ASP 29 -0.843 8.085 3.284 250 HB3 ASP 29 3HB ASP 29 -1.327 8.474 4.928 251 HA PRO 30 HA PRO 30 0.342 5.090 8.619 252 HB2 PRO 30 2HB PRO 30 3.003 4.829 9.176 253 HB3 PRO 30 3HB PRO 30 2.136 3.673 8.159 254 HG2 PRO 30 2HG PRO 30 3.890 5.978 7.329 255 HG3 PRO 30 3HG PRO 30 3.863 4.311 6.711 256 HD2 PRO 30 2HD PRO 30 2.612 6.389 5.430 257 HD3 PRO 30 3HD PRO 30 2.027 4.710 5.342 258 H GLU 31 H GLU 31 1.860 7.983 7.455 259 HA GLU 31 HA GLU 31 2.655 9.032 10.042 260 HB2 GLU 31 2HB GLU 31 2.537 10.452 7.347 261 HB3 GLU 31 3HB GLU 31 3.432 10.977 8.767 262 HG2 GLU 31 2HG GLU 31 4.006 8.480 7.142 263 HG3 GLU 31 3HG GLU 31 4.899 9.997 7.044 264 H THR 32 H THR 32 0.280 9.864 7.528 265 HA THR 32 HA THR 32 -1.110 11.782 9.255 266 HB THR 32 HB THR 32 -2.443 12.268 7.171 267 HG1 THR 32 HG1 THR 32 -0.640 10.805 5.611 268 HG21 THR 32 3HG2 THR 32 -0.627 13.335 5.899 269 HG22 THR 32 1HG2 THR 32 0.568 12.366 6.761 270 HG23 THR 32 2HG2 THR 32 -0.388 13.569 7.630 271 H GLY 33 H GLY 33 -1.479 8.553 8.035 272 HA2 GLY 33 2HA GLY 33 -2.908 6.888 8.827 273 HA3 GLY 33 3HA GLY 33 -3.937 8.103 9.568 274 H LYS 34 H LYS 34 -3.202 8.945 6.364 275 HA LYS 34 HA LYS 34 -5.963 8.796 5.628 276 HB2 LYS 34 2HB LYS 34 -3.534 9.580 3.971 277 HB3 LYS 34 3HB LYS 34 -5.210 9.786 3.454 278 HG2 LYS 34 2HG LYS 34 -5.607 11.327 5.337 279 HG3 LYS 34 3HG LYS 34 -3.936 11.105 5.868 280 HD2 LYS 34 2HD LYS 34 -3.143 12.067 3.709 281 HD3 LYS 34 3HD LYS 34 -4.822 12.323 3.220 282 HE2 LYS 34 2HE LYS 34 -3.426 13.627 5.584 283 HE3 LYS 34 3HE LYS 34 -3.832 14.402 4.053 284 HZ1 LYS 34 3HZ LYS 34 -6.173 14.041 4.530 285 HZ2 LYS 34 1HZ LYS 34 -5.440 14.942 5.759 286 HZ3 LYS 34 2HZ LYS 34 -5.787 13.307 6.004 287 H VAL 35 H VAL 35 -6.890 6.935 5.068 288 HA VAL 35 HA VAL 35 -5.579 4.867 3.496 289 HB VAL 35 HB VAL 35 -8.553 5.136 4.182 290 HG11 VAL 35 1HG1 VAL 35 -6.943 2.679 3.369 291 HG12 VAL 35 2HG1 VAL 35 -8.127 3.531 2.375 292 HG13 VAL 35 3HG1 VAL 35 -8.650 2.689 3.830 293 HG21 VAL 35 3HG2 VAL 35 -8.127 3.645 6.115 294 HG22 VAL 35 1HG2 VAL 35 -7.265 5.179 6.262 295 HG23 VAL 35 2HG2 VAL 35 -6.394 3.719 5.791 296 H GLU 36 H GLU 36 -5.326 5.194 1.357 297 HA GLU 36 HA GLU 36 -7.426 6.523 -0.246 298 HB2 GLU 36 2HB GLU 36 -5.556 8.116 0.058 299 HB3 GLU 36 3HB GLU 36 -4.407 6.902 -0.493 300 HG2 GLU 36 2HG GLU 36 -4.804 8.505 -2.267 301 HG3 GLU 36 3HG GLU 36 -5.441 6.932 -2.743 302 H ILE 37 H ILE 37 -8.008 5.373 -2.001 303 HA ILE 37 HA ILE 37 -6.928 2.709 -2.356 304 HB ILE 37 HB ILE 37 -9.163 4.150 -3.868 305 HG12 ILE 37 2HG1 ILE 37 -9.309 2.166 -1.533 306 HG13 ILE 37 3HG1 ILE 37 -9.665 3.885 -1.449 307 HG21 ILE 37 1HG2 ILE 37 -8.450 1.189 -3.843 308 HG22 ILE 37 2HG2 ILE 37 -8.246 2.302 -5.196 309 HG23 ILE 37 3HG2 ILE 37 -9.862 1.901 -4.627 310 HD11 ILE 37 3HD1 ILE 37 -11.224 1.832 -3.001 311 HD12 ILE 37 1HD1 ILE 37 -11.579 3.562 -2.940 312 HD13 ILE 37 2HD1 ILE 37 -11.689 2.583 -1.478 313 H ALA 38 H ALA 38 -5.438 2.149 -3.792 314 HA ALA 38 HA ALA 38 -4.869 3.743 -6.206 315 HB1 ALA 38 3HB ALA 38 -2.450 3.513 -5.814 316 HB2 ALA 38 1HB ALA 38 -2.760 2.680 -4.284 317 HB3 ALA 38 2HB ALA 38 -3.215 4.373 -4.478 318 H GLU 39 H GLU 39 -3.336 2.433 -7.659 319 HA GLU 39 HA GLU 39 -4.102 -0.441 -7.641 320 HB2 GLU 39 2HB GLU 39 -3.644 1.290 -10.113 321 HB3 GLU 39 3HB GLU 39 -4.118 -0.409 -10.095 322 HG2 GLU 39 2HG GLU 39 -6.201 0.372 -8.786 323 HG3 GLU 39 3HG GLU 39 -5.749 2.003 -9.272 324 H ILE 40 H ILE 40 -2.517 -1.898 -7.943 325 HA ILE 40 HA ILE 40 0.189 -1.048 -7.432 326 HB ILE 40 HB ILE 40 -0.987 -3.843 -7.800 327 HG12 ILE 40 2HG1 ILE 40 -0.346 -2.280 -5.246 328 HG13 ILE 40 3HG1 ILE 40 -1.951 -2.646 -5.860 329 HG21 ILE 40 1HG2 ILE 40 1.430 -3.867 -8.242 330 HG22 ILE 40 2HG2 ILE 40 1.078 -4.681 -6.721 331 HG23 ILE 40 3HG2 ILE 40 1.742 -3.047 -6.712 332 HD11 ILE 40 3HD1 ILE 40 -1.583 -5.018 -5.452 333 HD12 ILE 40 1HD1 ILE 40 -1.357 -4.065 -3.988 334 HD13 ILE 40 2HD1 ILE 40 0.046 -4.680 -4.862 335 H ARG 41 H ARG 41 1.403 -0.379 -9.067 336 HA ARG 41 HA ARG 41 1.203 -0.983 -11.822 337 HB2 ARG 41 2HB ARG 41 3.599 0.055 -10.232 338 HB3 ARG 41 3HB ARG 41 3.432 0.136 -11.985 339 HG2 ARG 41 2HG ARG 41 1.680 1.758 -11.846 340 HG3 ARG 41 3HG ARG 41 1.465 1.492 -10.113 341 HD2 ARG 41 2HD ARG 41 2.625 3.609 -10.512 342 HD3 ARG 41 3HD ARG 41 3.692 2.472 -9.682 343 HE ARG 41 HE ARG 41 3.964 2.538 -12.570 344 HH11 ARG 41 1HH1 ARG 41 5.201 3.803 -9.524 345 HH12 ARG 41 2HH1 ARG 41 6.640 4.442 -10.248 346 HH21 ARG 41 1HH2 ARG 41 5.869 3.419 -13.489 347 HH22 ARG 41 2HH2 ARG 41 7.015 4.237 -12.475 348 H ASN 42 H ASN 42 3.504 -2.087 -9.322 349 HA ASN 42 HA ASN 42 4.017 -4.600 -10.759 350 HB2 ASN 42 2HB ASN 42 5.747 -2.982 -11.581 351 HB3 ASN 42 3HB ASN 42 6.263 -2.697 -9.921 352 HD21 ASN 42 1HD2 ASN 42 8.341 -3.475 -10.165 353 HD22 ASN 42 2HD2 ASN 42 8.719 -5.128 -10.491 354 H VAL 43 H VAL 43 5.090 -6.219 -9.347 355 HA VAL 43 HA VAL 43 4.797 -5.637 -6.441 356 HB VAL 43 HB VAL 43 4.190 -8.314 -7.804 357 HG11 VAL 43 1HG1 VAL 43 3.827 -7.503 -4.890 358 HG12 VAL 43 2HG1 VAL 43 5.046 -8.614 -5.512 359 HG13 VAL 43 3HG1 VAL 43 3.339 -9.046 -5.602 360 HG21 VAL 43 3HG2 VAL 43 2.247 -6.299 -6.607 361 HG22 VAL 43 1HG2 VAL 43 1.823 -7.883 -7.267 362 HG23 VAL 43 2HG2 VAL 43 2.468 -6.629 -8.327 363 H VAL 44 H VAL 44 6.565 -7.465 -8.951 364 HA VAL 44 HA VAL 44 8.425 -8.726 -7.231 365 HB VAL 44 HB VAL 44 8.043 -9.550 -9.516 366 HG11 VAL 44 1HG1 VAL 44 7.760 -7.462 -10.734 367 HG12 VAL 44 2HG1 VAL 44 8.998 -8.451 -11.505 368 HG13 VAL 44 3HG1 VAL 44 9.464 -7.065 -10.517 369 HG21 VAL 44 3HG2 VAL 44 10.365 -10.060 -10.151 370 HG22 VAL 44 1HG2 VAL 44 10.147 -10.167 -8.403 371 HG23 VAL 44 2HG2 VAL 44 10.952 -8.761 -9.106 372 H GLU 45 H GLU 45 10.177 -7.958 -6.205 373 HA GLU 45 HA GLU 45 10.549 -5.063 -6.153 374 HB2 GLU 45 2HB GLU 45 11.523 -7.313 -4.351 375 HB3 GLU 45 3HB GLU 45 11.833 -5.608 -4.043 376 HG2 GLU 45 2HG GLU 45 9.407 -5.194 -3.860 377 HG3 GLU 45 3HG GLU 45 9.094 -6.898 -4.187 378 H ASN 46 H ASN 46 11.890 -7.043 -8.211 379 HA ASN 46 HA ASN 46 14.705 -6.946 -7.724 380 HB2 ASN 46 2HB ASN 46 13.123 -7.549 -10.267 381 HB3 ASN 46 3HB ASN 46 14.874 -7.703 -10.143 382 HD21 ASN 46 1HD2 ASN 46 14.765 -9.913 -10.598 383 HD22 ASN 46 2HD2 ASN 46 14.176 -11.075 -9.464 384 H THR 47 H THR 47 12.459 -4.751 -9.223 385 HA THR 47 HA THR 47 12.528 -2.915 -10.522 386 HB THR 47 HB THR 47 14.054 -1.104 -9.895 387 HG1 THR 47 HG1 THR 47 15.822 -2.997 -9.469 388 HG21 THR 47 3HG2 THR 47 13.692 -0.989 -7.453 389 HG22 THR 47 1HG2 THR 47 13.314 -2.713 -7.425 390 HG23 THR 47 2HG2 THR 47 12.249 -1.591 -8.273 391 H ALA 48 H ALA 48 13.636 -5.252 -11.706 392 HA ALA 48 HA ALA 48 15.890 -4.293 -13.389 393 HB1 ALA 48 3HB ALA 48 16.630 -6.646 -13.476 394 HB2 ALA 48 1HB ALA 48 15.272 -7.122 -12.453 395 HB3 ALA 48 2HB ALA 48 16.535 -6.073 -11.811 396 H ASN 49 H ASN 49 13.144 -3.815 -13.966 397 HA ASN 49 HA ASN 49 11.690 -3.763 -15.685 398 HB2 ASN 49 2HB ASN 49 13.585 -3.550 -17.211 399 HB3 ASN 49 3HB ASN 49 13.857 -5.288 -17.195 400 HD21 ASN 49 1HD2 ASN 49 13.614 -5.548 -19.404 401 HD22 ASN 49 2HD2 ASN 49 12.122 -5.315 -20.242 402 HA PRO 50 HA PRO 50 9.807 -7.886 -14.677 403 HB2 PRO 50 2HB PRO 50 7.269 -6.950 -14.291 404 HB3 PRO 50 3HB PRO 50 8.515 -6.836 -13.042 405 HG2 PRO 50 2HG PRO 50 7.604 -4.727 -15.000 406 HG3 PRO 50 3HG PRO 50 7.871 -4.582 -13.249 407 HD2 PRO 50 2HD PRO 50 9.730 -3.770 -15.052 408 HD3 PRO 50 3HD PRO 50 10.190 -4.456 -13.479 409 H HIS 51 H HIS 51 10.424 -8.216 -16.996 410 HA HIS 51 HA HIS 51 8.758 -7.481 -19.176 411 HB2 HIS 51 2HB HIS 51 11.096 -8.187 -19.506 412 HB3 HIS 51 3HB HIS 51 10.715 -9.805 -18.927 413 HD1 HIS 51 HD1 HIS 51 10.534 -11.395 -20.807 414 HD2 HIS 51 HD2 HIS 51 9.216 -7.616 -21.899 415 HE1 HIS 51 HE1 HIS 51 9.880 -11.581 -23.215 416 HE2 HIS 51 HE2 HIS 51 9.249 -9.246 -23.894 417 H PHE 52 H PHE 52 6.713 -8.035 -19.288 418 HA PHE 52 HA PHE 52 4.715 -8.954 -18.987 419 HB2 PHE 52 2HB PHE 52 6.237 -11.564 -19.367 420 HB3 PHE 52 3HB PHE 52 4.481 -11.478 -19.250 421 HD1 PHE 52 HD1 PHE 52 3.383 -9.641 -20.900 422 HD2 PHE 52 HD2 PHE 52 7.130 -11.601 -21.551 423 HE1 PHE 52 HE1 PHE 52 3.198 -9.198 -23.315 424 HE2 PHE 52 HE2 PHE 52 6.942 -11.150 -23.953 425 HZ PHE 52 HZ PHE 52 4.982 -9.950 -24.845 426 H VAL 53 H VAL 53 4.882 -7.966 -16.919 427 HA VAL 53 HA VAL 53 5.719 -9.173 -14.562 428 HB VAL 53 HB VAL 53 5.365 -6.784 -14.633 429 HG11 VAL 53 1HG1 VAL 53 3.174 -5.710 -14.756 430 HG12 VAL 53 2HG1 VAL 53 2.391 -7.279 -14.953 431 HG13 VAL 53 3HG1 VAL 53 3.482 -6.676 -16.203 432 HG21 VAL 53 3HG2 VAL 53 3.423 -8.011 -12.631 433 HG22 VAL 53 1HG2 VAL 53 4.134 -6.397 -12.526 434 HG23 VAL 53 2HG2 VAL 53 5.162 -7.822 -12.406 435 H ARG 54 H ARG 54 5.066 -11.073 -13.871 436 HA ARG 54 HA ARG 54 2.228 -11.760 -13.572 437 HB2 ARG 54 2HB ARG 54 2.446 -13.872 -14.772 438 HB3 ARG 54 3HB ARG 54 2.946 -12.577 -15.852 439 HG2 ARG 54 2HG ARG 54 5.314 -13.119 -15.427 440 HG3 ARG 54 3HG ARG 54 4.827 -14.395 -14.312 441 HD2 ARG 54 2HD ARG 54 3.649 -15.531 -16.210 442 HD3 ARG 54 3HD ARG 54 4.303 -14.298 -17.297 443 HE ARG 54 HE ARG 54 6.282 -15.700 -15.714 444 HH11 ARG 54 1HH1 ARG 54 4.544 -15.642 -18.759 445 HH12 ARG 54 2HH1 ARG 54 5.671 -16.686 -19.560 446 HH21 ARG 54 1HH2 ARG 54 7.743 -17.096 -16.782 447 HH22 ARG 54 2HH2 ARG 54 7.475 -17.509 -18.446 448 H ARG 55 H ARG 55 2.164 -14.085 -12.512 449 HA ARG 55 HA ARG 55 2.505 -15.362 -10.669 450 HB2 ARG 55 2HB ARG 55 5.447 -14.758 -11.226 451 HB3 ARG 55 3HB ARG 55 4.882 -16.013 -10.134 452 HG2 ARG 55 2HG ARG 55 4.305 -15.936 -13.112 453 HG3 ARG 55 3HG ARG 55 5.597 -16.878 -12.363 454 HD2 ARG 55 2HD ARG 55 3.975 -18.240 -11.151 455 HD3 ARG 55 3HD ARG 55 2.643 -17.226 -11.721 456 HE ARG 55 HE ARG 55 3.273 -17.979 -14.018 457 HH11 ARG 55 1HH1 ARG 55 4.030 -20.062 -11.291 458 HH12 ARG 55 2HH1 ARG 55 3.973 -21.510 -12.236 459 HH21 ARG 55 1HH2 ARG 55 3.210 -19.896 -15.225 460 HH22 ARG 55 2HH2 ARG 55 3.509 -21.417 -14.451 461 H ASN 56 H ASN 56 1.969 -12.581 -10.313 462 HA ASN 56 HA ASN 56 3.651 -11.340 -8.365 463 HB2 ASN 56 2HB ASN 56 0.816 -10.662 -9.273 464 HB3 ASN 56 3HB ASN 56 1.772 -9.652 -8.200 465 HD21 ASN 56 1HD2 ASN 56 1.416 -10.797 -11.481 466 HD22 ASN 56 2HD2 ASN 56 2.448 -9.613 -12.199 467 H ILE 57 H ILE 57 3.768 -13.088 -6.808 468 HA ILE 57 HA ILE 57 1.444 -13.810 -5.238 469 HB ILE 57 HB ILE 57 4.395 -14.396 -4.671 470 HG12 ILE 57 2HG1 ILE 57 3.675 -15.381 -6.846 471 HG13 ILE 57 3HG1 ILE 57 4.010 -16.631 -5.659 472 HG21 ILE 57 1HG2 ILE 57 3.544 -16.196 -3.185 473 HG22 ILE 57 2HG2 ILE 57 1.889 -15.667 -3.495 474 HG23 ILE 57 3HG2 ILE 57 3.011 -14.600 -2.653 475 HD11 ILE 57 3HD1 ILE 57 2.055 -17.157 -6.997 476 HD12 ILE 57 1HD1 ILE 57 1.267 -15.671 -6.476 477 HD13 ILE 57 2HD1 ILE 57 1.608 -16.947 -5.305 478 H ILE 58 H ILE 58 0.775 -11.744 -4.622 479 HA ILE 58 HA ILE 58 2.362 -9.936 -3.056 480 HB ILE 58 HB ILE 58 -0.676 -10.066 -3.382 481 HG12 ILE 58 2HG1 ILE 58 1.395 -8.453 -4.957 482 HG13 ILE 58 3HG1 ILE 58 0.525 -9.856 -5.562 483 HG21 ILE 58 1HG2 ILE 58 1.075 -7.754 -2.446 484 HG22 ILE 58 2HG2 ILE 58 -0.007 -8.707 -1.432 485 HG23 ILE 58 3HG2 ILE 58 -0.672 -7.684 -2.704 486 HD11 ILE 58 3HD1 ILE 58 -0.384 -7.806 -6.430 487 HD12 ILE 58 1HD1 ILE 58 -0.694 -7.218 -4.797 488 HD13 ILE 58 2HD1 ILE 58 -1.566 -8.626 -5.412 489 H THR 59 H THR 59 2.875 -10.218 -1.040 490 HA THR 59 HA THR 59 1.282 -11.862 0.833 491 HB THR 59 HB THR 59 3.636 -12.630 1.714 492 HG1 THR 59 HG1 THR 59 4.395 -12.040 -0.971 493 HG21 THR 59 3HG2 THR 59 3.794 -14.518 0.126 494 HG22 THR 59 1HG2 THR 59 2.695 -13.689 -0.981 495 HG23 THR 59 2HG2 THR 59 2.121 -14.228 0.599 496 H ARG 60 H ARG 60 2.111 -11.457 3.136 497 HA ARG 60 HA ARG 60 2.113 -8.659 3.682 498 HB2 ARG 60 2HB ARG 60 1.067 -10.249 5.249 499 HB3 ARG 60 3HB ARG 60 2.626 -11.010 5.558 500 HG2 ARG 60 2HG ARG 60 3.462 -8.947 6.583 501 HG3 ARG 60 3HG ARG 60 1.947 -8.120 6.214 502 HD2 ARG 60 2HD ARG 60 0.738 -9.612 7.728 503 HD3 ARG 60 3HD ARG 60 2.220 -10.520 8.053 504 HE ARG 60 HE ARG 60 3.119 -8.340 8.956 505 HH11 ARG 60 1HH1 ARG 60 -0.345 -8.957 9.025 506 HH12 ARG 60 2HH1 ARG 60 -0.594 -8.027 10.460 507 HH21 ARG 60 1HH2 ARG 60 2.757 -7.101 10.817 508 HH22 ARG 60 2HH2 ARG 60 1.157 -6.981 11.482 509 H GLY 61 H GLY 61 3.774 -7.293 4.057 510 HA2 GLY 61 2HA GLY 61 5.929 -6.584 4.612 511 HA3 GLY 61 3HA GLY 61 6.526 -8.228 4.451 512 H ALA 62 H ALA 62 4.873 -8.118 1.756 513 HA ALA 62 HA ALA 62 7.123 -7.651 0.059 514 HB1 ALA 62 3HB ALA 62 5.579 -8.105 -1.808 515 HB2 ALA 62 1HB ALA 62 4.200 -7.988 -0.707 516 HB3 ALA 62 2HB ALA 62 5.369 -9.295 -0.520 517 H VAL 63 H VAL 63 7.723 -5.859 -1.066 518 HA VAL 63 HA VAL 63 6.277 -3.357 -0.657 519 HB VAL 63 HB VAL 63 8.945 -3.863 -2.070 520 HG11 VAL 63 1HG1 VAL 63 9.308 -1.432 -1.919 521 HG12 VAL 63 2HG1 VAL 63 7.693 -1.218 -1.239 522 HG13 VAL 63 3HG1 VAL 63 7.886 -1.810 -2.890 523 HG21 VAL 63 3HG2 VAL 63 8.437 -2.821 0.737 524 HG22 VAL 63 1HG2 VAL 63 10.011 -2.964 -0.048 525 HG23 VAL 63 2HG2 VAL 63 9.074 -4.412 0.316 526 H VAL 64 H VAL 64 4.716 -2.946 -2.015 527 HA VAL 64 HA VAL 64 4.835 -3.879 -4.811 528 HB VAL 64 HB VAL 64 2.380 -3.416 -4.884 529 HG11 VAL 64 1HG1 VAL 64 3.206 -5.337 -2.664 530 HG12 VAL 64 2HG1 VAL 64 3.175 -5.694 -4.393 531 HG13 VAL 64 3HG1 VAL 64 1.667 -5.371 -3.536 532 HG21 VAL 64 3HG2 VAL 64 1.107 -3.029 -2.796 533 HG22 VAL 64 1HG2 VAL 64 2.205 -1.692 -3.133 534 HG23 VAL 64 2HG2 VAL 64 2.617 -2.877 -1.894 535 H GLU 65 H GLU 65 4.753 -2.452 -6.414 536 HA GLU 65 HA GLU 65 5.308 0.379 -5.911 537 HB2 GLU 65 2HB GLU 65 6.793 -0.836 -7.480 538 HB3 GLU 65 3HB GLU 65 5.412 -1.346 -8.443 539 HG2 GLU 65 2HG GLU 65 6.631 0.459 -9.543 540 HG3 GLU 65 3HG GLU 65 4.996 0.965 -9.125 541 H THR 66 H THR 66 3.718 1.883 -6.218 542 HA THR 66 HA THR 66 1.196 1.196 -7.603 543 HB THR 66 HB THR 66 -0.186 2.173 -5.810 544 HG1 THR 66 HG1 THR 66 2.213 2.408 -4.270 545 HG21 THR 66 3HG2 THR 66 0.088 0.504 -4.012 546 HG22 THR 66 1HG2 THR 66 1.681 0.080 -4.637 547 HG23 THR 66 2HG2 THR 66 0.238 -0.250 -5.599 548 H ASN 67 H ASN 67 -0.187 3.341 -7.724 549 HA ASN 67 HA ASN 67 1.432 5.231 -9.169 550 HB2 ASN 67 2HB ASN 67 -0.714 6.398 -9.620 551 HB3 ASN 67 3HB ASN 67 -0.812 4.675 -9.954 552 HD21 ASN 67 1HD2 ASN 67 -1.842 7.230 -7.798 553 HD22 ASN 67 2HD2 ASN 67 -3.114 6.341 -7.046 554 H LEU 68 H LEU 68 0.637 5.002 -5.851 555 HA LEU 68 HA LEU 68 0.884 7.898 -5.331 556 HB2 LEU 68 2HB LEU 68 0.254 5.586 -3.460 557 HB3 LEU 68 3HB LEU 68 0.307 7.276 -2.983 558 HG LEU 68 HG LEU 68 -1.706 6.006 -4.882 559 HD11 LEU 68 1HD1 LEU 68 -3.351 6.491 -3.139 560 HD12 LEU 68 2HD1 LEU 68 -2.083 7.125 -2.090 561 HD13 LEU 68 3HD1 LEU 68 -2.086 5.419 -2.540 562 HD21 LEU 68 3HD2 LEU 68 -1.539 8.910 -3.991 563 HD22 LEU 68 1HD2 LEU 68 -2.847 8.185 -4.931 564 HD23 LEU 68 2HD2 LEU 68 -1.231 8.300 -5.618 565 H GLY 69 H GLY 69 2.813 5.097 -5.461 566 HA2 GLY 69 2HA GLY 69 5.286 5.744 -5.021 567 HA3 GLY 69 3HA GLY 69 4.710 5.962 -3.366 568 H ASN 70 H ASN 70 5.941 4.252 -2.510 569 HA ASN 70 HA ASN 70 5.242 1.507 -3.436 570 HB2 ASN 70 2HB ASN 70 7.682 2.428 -1.848 571 HB3 ASN 70 3HB ASN 70 7.345 0.771 -2.365 572 HD21 ASN 70 1HD2 ASN 70 7.378 0.294 -4.637 573 HD22 ASN 70 2HD2 ASN 70 8.251 1.297 -5.742 574 H VAL 71 H VAL 71 4.513 0.024 -1.945 575 HA VAL 71 HA VAL 71 3.747 1.060 0.730 576 HB VAL 71 HB VAL 71 2.020 -0.714 -1.076 577 HG11 VAL 71 1HG1 VAL 71 1.266 0.801 1.447 578 HG12 VAL 71 2HG1 VAL 71 1.504 -0.941 1.312 579 HG13 VAL 71 3HG1 VAL 71 0.176 -0.169 0.450 580 HG21 VAL 71 3HG2 VAL 71 1.757 2.294 -0.701 581 HG22 VAL 71 1HG2 VAL 71 0.610 1.254 -1.550 582 HG23 VAL 71 2HG2 VAL 71 2.241 1.459 -2.177 583 H ARG 72 H ARG 72 3.840 -0.432 2.395 584 HA ARG 72 HA ARG 72 4.880 -3.163 1.894 585 HB2 ARG 72 2HB ARG 72 4.523 -1.522 4.451 586 HB3 ARG 72 3HB ARG 72 4.887 -3.246 4.492 587 HG2 ARG 72 2HG ARG 72 6.626 -1.128 3.231 588 HG3 ARG 72 3HG ARG 72 6.874 -1.817 4.831 589 HD2 ARG 72 2HD ARG 72 7.152 -4.057 3.794 590 HD3 ARG 72 3HD ARG 72 6.977 -3.308 2.201 591 HE ARG 72 HE ARG 72 9.015 -1.995 2.737 592 HH11 ARG 72 1HH1 ARG 72 8.488 -5.012 4.437 593 HH12 ARG 72 2HH1 ARG 72 10.170 -5.264 4.767 594 HH21 ARG 72 1HH2 ARG 72 11.221 -2.351 3.114 595 HH22 ARG 72 2HH2 ARG 72 11.726 -3.748 4.009 596 H VAL 73 H VAL 73 3.391 -4.789 1.809 597 HA VAL 73 HA VAL 73 0.592 -4.229 2.368 598 HB VAL 73 HB VAL 73 1.931 -6.891 1.633 599 HG11 VAL 73 1HG1 VAL 73 -0.322 -7.615 0.910 600 HG12 VAL 73 2HG1 VAL 73 -1.003 -6.091 1.493 601 HG13 VAL 73 3HG1 VAL 73 -0.281 -7.228 2.630 602 HG21 VAL 73 3HG2 VAL 73 0.601 -4.853 -0.209 603 HG22 VAL 73 1HG2 VAL 73 1.238 -6.430 -0.694 604 HG23 VAL 73 2HG2 VAL 73 2.333 -5.180 -0.105 605 H THR 74 H THR 74 0.455 -3.803 4.578 606 HA THR 74 HA THR 74 1.612 -5.550 6.580 607 HB THR 74 HB THR 74 0.425 -3.946 8.191 608 HG1 THR 74 HG1 THR 74 -1.190 -3.004 7.084 609 HG21 THR 74 3HG2 THR 74 2.279 -2.677 6.134 610 HG22 THR 74 1HG2 THR 74 2.792 -3.604 7.547 611 HG23 THR 74 2HG2 THR 74 1.958 -2.067 7.758 612 H SER 75 H SER 75 -1.637 -4.773 5.378 613 HA SER 75 HA SER 75 -2.975 -6.698 7.072 614 HB2 SER 75 2HB SER 75 -3.978 -5.296 4.549 615 HB3 SER 75 3HB SER 75 -4.971 -6.136 5.741 616 HG SER 75 HG SER 75 -3.971 -4.539 7.268 617 H ARG 76 H ARG 76 -4.178 -8.534 6.140 618 HA ARG 76 HA ARG 76 -2.673 -10.207 4.430 619 HB2 ARG 76 2HB ARG 76 -5.564 -10.370 5.368 620 HB3 ARG 76 3HB ARG 76 -4.793 -11.629 4.410 621 HG2 ARG 76 2HG ARG 76 -3.899 -10.718 7.165 622 HG3 ARG 76 3HG ARG 76 -4.819 -12.185 6.816 623 HD2 ARG 76 2HD ARG 76 -2.900 -12.952 5.372 624 HD3 ARG 76 3HD ARG 76 -1.986 -11.546 5.924 625 HE ARG 76 HE ARG 76 -2.602 -12.653 8.254 626 HH11 ARG 76 1HH1 ARG 76 -1.353 -14.213 5.332 627 HH12 ARG 76 2HH1 ARG 76 -0.530 -15.455 6.219 628 HH21 ARG 76 1HH2 ARG 76 -1.476 -14.273 9.373 629 HH22 ARG 76 2HH2 ARG 76 -0.585 -15.477 8.495 630 HA PRO 77 HA PRO 77 -4.177 -8.477 0.459 631 HB2 PRO 77 2HB PRO 77 -2.797 -10.109 -1.203 632 HB3 PRO 77 3HB PRO 77 -1.964 -8.896 -0.225 633 HG2 PRO 77 2HG PRO 77 -2.323 -11.841 0.343 634 HG3 PRO 77 3HG PRO 77 -0.835 -10.871 0.394 635 HD2 PRO 77 2HD PRO 77 -2.266 -11.452 2.632 636 HD3 PRO 77 3HD PRO 77 -1.370 -9.923 2.447 637 H GLY 78 H GLY 78 -6.003 -10.061 1.824 638 HA2 GLY 78 2HA GLY 78 -7.585 -11.436 -0.075 639 HA3 GLY 78 3HA GLY 78 -6.724 -12.579 0.964 640 H GLN 79 H GLN 79 -8.312 -13.300 2.319 641 HA GLN 79 HA GLN 79 -9.828 -13.411 3.963 642 HB2 GLN 79 2HB GLN 79 -8.307 -12.020 5.287 643 HB3 GLN 79 3HB GLN 79 -8.945 -10.550 4.574 644 HG2 GLN 79 2HG GLN 79 -10.785 -12.341 6.155 645 HG3 GLN 79 3HG GLN 79 -9.644 -11.310 7.012 646 HE21 GLN 79 1HE2 GLN 79 -12.598 -11.240 6.961 647 HE22 GLN 79 2HE2 GLN 79 -13.022 -9.645 6.450 648 H ASP 80 H ASP 80 -10.364 -10.008 3.038 649 HA ASP 80 HA ASP 80 -13.117 -10.553 2.170 650 HB2 ASP 80 2HB ASP 80 -12.690 -8.563 3.556 651 HB3 ASP 80 3HB ASP 80 -11.502 -7.973 2.398 652 H GLY 81 H GLY 81 -10.043 -10.572 0.810 653 HA2 GLY 81 2HA GLY 81 -9.431 -10.982 -1.410 654 HA3 GLY 81 3HA GLY 81 -10.983 -10.364 -1.956 655 H VAL 82 H VAL 82 -10.025 -8.128 0.195 656 HA VAL 82 HA VAL 82 -8.897 -6.367 -1.871 657 HB VAL 82 HB VAL 82 -10.866 -5.565 -0.550 658 HG11 VAL 82 1HG1 VAL 82 -10.405 -6.590 1.628 659 HG12 VAL 82 2HG1 VAL 82 -10.639 -4.851 1.793 660 HG13 VAL 82 3HG1 VAL 82 -9.011 -5.531 1.859 661 HG21 VAL 82 3HG2 VAL 82 -9.998 -3.291 -0.073 662 HG22 VAL 82 1HG2 VAL 82 -9.379 -3.925 -1.598 663 HG23 VAL 82 2HG2 VAL 82 -8.345 -3.900 -0.170 664 H ILE 83 H ILE 83 -6.877 -5.490 -1.712 665 HA ILE 83 HA ILE 83 -5.014 -6.514 0.333 666 HB ILE 83 HB ILE 83 -4.368 -4.869 -2.177 667 HG12 ILE 83 2HG1 ILE 83 -4.324 -7.918 -1.891 668 HG13 ILE 83 3HG1 ILE 83 -5.539 -7.007 -2.776 669 HG21 ILE 83 1HG2 ILE 83 -2.076 -5.771 -1.915 670 HG22 ILE 83 2HG2 ILE 83 -2.566 -6.634 -0.456 671 HG23 ILE 83 3HG2 ILE 83 -2.568 -4.869 -0.481 672 HD11 ILE 83 3HD1 ILE 83 -3.820 -6.241 -4.336 673 HD12 ILE 83 1HD1 ILE 83 -3.951 -7.998 -4.271 674 HD13 ILE 83 2HD1 ILE 83 -2.613 -7.188 -3.457 675 H ASN 84 H ASN 84 -3.817 -5.054 1.640 676 HA ASN 84 HA ASN 84 -4.274 -2.176 1.519 677 HB2 ASN 84 2HB ASN 84 -6.236 -3.001 2.834 678 HB3 ASN 84 3HB ASN 84 -5.160 -3.810 3.954 679 HD21 ASN 84 1HD2 ASN 84 -3.856 -2.485 5.371 680 HD22 ASN 84 2HD2 ASN 84 -4.340 -0.867 5.743 681 H GLY 85 H GLY 85 -2.742 -1.009 2.854 682 HA2 GLY 85 2HA GLY 85 -0.751 -2.349 4.429 683 HA3 GLY 85 3HA GLY 85 -0.149 -1.983 2.813 684 H VAL 86 H VAL 86 1.416 -0.701 4.160 685 HA VAL 86 HA VAL 86 0.374 1.990 4.810 686 HB VAL 86 HB VAL 86 2.229 2.296 6.421 687 HG11 VAL 86 1HG1 VAL 86 1.376 0.841 8.217 688 HG12 VAL 86 2HG1 VAL 86 0.542 -0.160 7.027 689 HG13 VAL 86 3HG1 VAL 86 0.061 1.522 7.256 690 HG21 VAL 86 3HG2 VAL 86 3.910 0.779 5.468 691 HG22 VAL 86 1HG2 VAL 86 2.925 -0.622 5.892 692 HG23 VAL 86 2HG2 VAL 86 3.624 0.385 7.160 693 H LEU 87 H LEU 87 1.257 3.729 3.809 694 HA LEU 87 HA LEU 87 2.801 3.331 1.436 695 HB2 LEU 87 2HB LEU 87 1.006 5.024 1.646 696 HB3 LEU 87 3HB LEU 87 1.951 5.894 2.841 697 HG LEU 87 HG LEU 87 3.630 6.491 1.135 698 HD11 LEU 87 1HD1 LEU 87 3.519 4.508 -0.306 699 HD12 LEU 87 2HD1 LEU 87 3.319 5.979 -1.249 700 HD13 LEU 87 3HD1 LEU 87 1.914 4.983 -0.869 701 HD21 LEU 87 3HD2 LEU 87 1.692 7.983 1.460 702 HD22 LEU 87 1HD2 LEU 87 0.801 7.118 0.202 703 HD23 LEU 87 2HD2 LEU 87 2.259 8.029 -0.209 704 H ILE 88 H ILE 88 4.898 2.799 1.656 705 HA ILE 88 HA ILE 88 6.692 4.289 3.462 706 HB ILE 88 HB ILE 88 8.397 2.593 2.945 707 HG12 ILE 88 2HG1 ILE 88 6.304 1.255 1.149 708 HG13 ILE 88 3HG1 ILE 88 7.707 2.138 0.562 709 HG21 ILE 88 1HG2 ILE 88 7.338 0.650 4.029 710 HG22 ILE 88 2HG2 ILE 88 5.738 1.312 3.692 711 HG23 ILE 88 3HG2 ILE 88 6.829 2.153 4.797 712 HD11 ILE 88 3HD1 ILE 88 9.179 0.472 1.555 713 HD12 ILE 88 1HD1 ILE 88 8.031 -0.255 0.433 714 HD13 ILE 88 2HD1 ILE 88 7.783 -0.408 2.166 715 H ARG 89 H ARG 89 8.964 4.651 2.395 716 HA ARG 89 HA ARG 89 8.530 6.243 -0.076 717 HB2 ARG 89 2HB ARG 89 10.594 6.874 2.075 718 HB3 ARG 89 3HB ARG 89 9.934 7.954 0.854 719 HG2 ARG 89 2HG ARG 89 8.482 6.901 3.300 720 HG3 ARG 89 3HG ARG 89 9.115 8.532 3.083 721 HD2 ARG 89 2HD ARG 89 7.461 9.074 1.460 722 HD3 ARG 89 3HD ARG 89 7.012 7.375 1.228 723 HE ARG 89 HE ARG 89 6.566 8.025 3.903 724 HH11 ARG 89 1HH1 ARG 89 5.255 9.010 0.793 725 HH12 ARG 89 2HH1 ARG 89 3.665 9.270 1.427 726 HH21 ARG 89 1HH2 ARG 89 4.496 8.353 4.699 727 HH22 ARG 89 2HH2 ARG 89 3.234 8.894 3.644 728 H GLU 90 H GLU 90 9.478 3.415 0.190 729 HA GLU 90 HA GLU 90 12.282 3.284 0.448 730 HB2 GLU 90 2HB GLU 90 10.684 1.448 0.997 731 HB3 GLU 90 3HB GLU 90 10.438 1.180 -0.722 732 HG2 GLU 90 2HG GLU 90 12.837 0.621 -0.966 733 HG3 GLU 90 3HG GLU 90 13.059 0.853 0.767 734 H LEU 91 H LEU 91 10.499 2.206 -2.506 735 HA LEU 91 HA LEU 91 12.943 2.451 -4.070 736 HB2 LEU 91 2HB LEU 91 10.173 1.588 -4.978 737 HB3 LEU 91 3HB LEU 91 11.661 1.392 -5.879 738 HG LEU 91 HG LEU 91 11.033 -0.025 -3.260 739 HD11 LEU 91 1HD1 LEU 91 10.737 -2.058 -4.621 740 HD12 LEU 91 2HD1 LEU 91 10.925 -1.104 -6.094 741 HD13 LEU 91 3HD1 LEU 91 9.550 -0.818 -5.027 742 HD21 LEU 91 3HD2 LEU 91 13.349 -0.410 -5.185 743 HD22 LEU 91 1HD2 LEU 91 13.014 -1.393 -3.758 744 HD23 LEU 91 2HD2 LEU 91 13.439 0.306 -3.573 745 H GLU 92 H GLU 92 12.826 4.838 -3.556 746 HA GLU 92 HA GLU 92 11.214 6.521 -5.236 747 HB2 GLU 92 2HB GLU 92 12.075 7.358 -3.082 748 HB3 GLU 92 3HB GLU 92 13.730 7.068 -3.599 749 HG2 GLU 92 2HG GLU 92 13.407 8.768 -5.421 750 HG3 GLU 92 3HG GLU 92 11.814 9.127 -4.751 751 H HIS 93 H HIS 93 11.608 6.849 -7.381 752 HA HIS 93 HA HIS 93 13.616 5.395 -8.738 753 HB2 HIS 93 2HB HIS 93 11.441 6.020 -9.781 754 HB3 HIS 93 3HB HIS 93 11.957 7.704 -9.831 755 HD1 HIS 93 HD1 HIS 93 13.192 8.402 -11.911 756 HD2 HIS 93 HD2 HIS 93 13.152 4.278 -11.428 757 HE1 HIS 93 HE1 HIS 93 14.324 7.473 -13.945 758 HE2 HIS 93 HE2 HIS 93 14.206 4.972 -13.672 759 H HIS 94 H HIS 94 13.555 8.689 -7.521 760 HA HIS 94 HA HIS 94 15.892 9.623 -8.918 761 HB2 HIS 94 2HB HIS 94 14.132 11.164 -7.980 762 HB3 HIS 94 3HB HIS 94 14.666 10.753 -6.352 763 HD1 HIS 94 HD1 HIS 94 15.560 12.790 -9.322 764 HD2 HIS 94 HD2 HIS 94 17.227 11.854 -5.642 765 HE1 HIS 94 HE1 HIS 94 17.469 14.381 -9.024 766 HE2 HIS 94 HE2 HIS 94 18.344 13.907 -6.718 767 H HIS 95 H HIS 95 15.276 8.063 -5.807 768 HA HIS 95 HA HIS 95 17.732 8.465 -4.514 769 HB2 HIS 95 2HB HIS 95 15.630 7.569 -3.448 770 HB3 HIS 95 3HB HIS 95 15.918 6.029 -4.238 771 HD1 HIS 95 HD1 HIS 95 16.633 7.876 -1.202 772 HD2 HIS 95 HD2 HIS 95 18.414 4.729 -3.250 773 HE1 HIS 95 HE1 HIS 95 18.130 6.753 0.457 774 HE2 HIS 95 HE2 HIS 95 19.040 4.740 -0.747 775 H HIS 96 H HIS 96 19.690 7.592 -4.759 776 HA HIS 96 HA HIS 96 20.425 6.312 -7.130 777 HB2 HIS 96 2HB HIS 96 21.925 7.787 -5.836 778 HB3 HIS 96 3HB HIS 96 22.010 6.597 -4.542 779 HD1 HIS 96 HD1 HIS 96 23.160 7.203 -8.083 780 HD2 HIS 96 HD2 HIS 96 23.851 4.515 -4.985 781 HE1 HIS 96 HE1 HIS 96 25.165 5.864 -8.782 782 HE2 HIS 96 HE2 HIS 96 25.413 4.119 -6.997 783 H HIS 97 H HIS 97 19.867 4.310 -7.644 784 HA HIS 97 HA HIS 97 19.474 2.091 -5.946 785 HB2 HIS 97 2HB HIS 97 18.525 2.138 -8.193 786 HB3 HIS 97 3HB HIS 97 20.115 2.273 -8.926 787 HD1 HIS 97 HD1 HIS 97 17.852 -0.233 -7.246 788 HD2 HIS 97 HD2 HIS 97 21.439 -0.157 -9.334 789 HE1 HIS 97 HE1 HIS 97 18.385 -2.623 -7.764 790 HE2 HIS 97 HE2 HIS 97 20.650 -2.553 -8.857 791 H HIS 98 H HIS 98 20.885 0.535 -5.230 792 HA HIS 98 HA HIS 98 23.643 0.356 -6.115 793 HB2 HIS 98 2HB HIS 98 24.582 0.708 -3.811 794 HB3 HIS 98 3HB HIS 98 23.866 2.163 -4.483 795 HD1 HIS 98 HD1 HIS 98 21.731 3.084 -3.320 796 HD2 HIS 98 HD2 HIS 98 23.300 -0.293 -1.485 797 HE1 HIS 98 HE1 HIS 98 20.602 2.945 -1.086 798 HE2 HIS 98 HE2 HIS 98 21.640 0.955 0.043 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -16.496 37.737 -39.845 2 H2 GLY 1 2H GLY 1 -18.110 38.211 -39.993 3 H3 GLY 1 3H GLY 1 -17.732 36.592 -39.701 4 HA2 GLY 1 2HA GLY 1 -17.254 38.844 -37.842 5 HA3 GLY 1 3HA GLY 1 -18.540 37.655 -37.701 6 H ASP 2 H ASP 2 -17.474 37.470 -35.530 7 HA ASP 2 HA ASP 2 -14.926 36.066 -35.383 8 HB2 ASP 2 2HB ASP 2 -15.583 37.794 -33.696 9 HB3 ASP 2 3HB ASP 2 -16.918 36.772 -33.176 10 H ARG 3 H ARG 3 -14.821 33.922 -35.656 11 HA ARG 3 HA ARG 3 -17.170 32.214 -35.049 12 HB2 ARG 3 2HB ARG 3 -14.876 31.555 -36.941 13 HB3 ARG 3 3HB ARG 3 -16.342 30.616 -36.697 14 HG2 ARG 3 2HG ARG 3 -16.057 33.286 -38.088 15 HG3 ARG 3 3HG ARG 3 -16.608 31.760 -38.774 16 HD2 ARG 3 2HD ARG 3 -18.076 33.532 -36.806 17 HD3 ARG 3 3HD ARG 3 -18.510 33.211 -38.483 18 HE ARG 3 HE ARG 3 -18.653 30.757 -37.506 19 HH11 ARG 3 1HH1 ARG 3 -19.860 33.730 -36.043 20 HH12 ARG 3 2HH1 ARG 3 -21.205 32.941 -35.276 21 HH21 ARG 3 1HH2 ARG 3 -20.412 29.758 -36.490 22 HH22 ARG 3 2HH2 ARG 3 -21.510 30.692 -35.527 23 H ARG 4 H ARG 4 -17.000 30.838 -33.427 24 HA ARG 4 HA ARG 4 -14.446 29.790 -32.486 25 HB2 ARG 4 2HB ARG 4 -15.039 30.487 -30.091 26 HB3 ARG 4 3HB ARG 4 -14.517 31.784 -31.154 27 HG2 ARG 4 2HG ARG 4 -16.818 32.527 -31.471 28 HG3 ARG 4 3HG ARG 4 -17.420 31.171 -30.518 29 HD2 ARG 4 2HD ARG 4 -16.257 32.082 -28.523 30 HD3 ARG 4 3HD ARG 4 -15.704 33.456 -29.494 31 HE ARG 4 HE ARG 4 -18.220 33.794 -29.909 32 HH11 ARG 4 1HH1 ARG 4 -16.918 32.665 -26.846 33 HH12 ARG 4 2HH1 ARG 4 -18.236 33.306 -25.920 34 HH21 ARG 4 1HH2 ARG 4 -19.939 34.600 -28.682 35 HH22 ARG 4 2HH2 ARG 4 -19.950 34.395 -26.962 36 H VAL 5 H VAL 5 -15.034 27.718 -32.939 37 HA VAL 5 HA VAL 5 -17.621 26.632 -32.067 38 HB VAL 5 HB VAL 5 -15.388 25.210 -33.605 39 HG11 VAL 5 1HG1 VAL 5 -16.958 23.664 -32.506 40 HG12 VAL 5 2HG1 VAL 5 -17.151 23.603 -34.257 41 HG13 VAL 5 3HG1 VAL 5 -18.326 24.477 -33.270 42 HG21 VAL 5 3HG2 VAL 5 -16.695 25.647 -35.669 43 HG22 VAL 5 1HG2 VAL 5 -16.149 27.147 -34.909 44 HG23 VAL 5 2HG2 VAL 5 -17.828 26.633 -34.738 45 H ARG 6 H ARG 6 -17.595 26.227 -29.919 46 HA ARG 6 HA ARG 6 -15.350 24.706 -28.701 47 HB2 ARG 6 2HB ARG 6 -15.782 26.889 -27.633 48 HB3 ARG 6 3HB ARG 6 -17.469 26.470 -27.391 49 HG2 ARG 6 2HG ARG 6 -16.772 24.635 -25.859 50 HG3 ARG 6 3HG ARG 6 -15.089 25.122 -26.072 51 HD2 ARG 6 2HD ARG 6 -15.543 27.281 -25.044 52 HD3 ARG 6 3HD ARG 6 -17.273 26.914 -24.942 53 HE ARG 6 HE ARG 6 -15.423 25.105 -23.577 54 HH11 ARG 6 1HH1 ARG 6 -17.697 27.773 -23.217 55 HH12 ARG 6 2HH1 ARG 6 -17.914 27.498 -21.520 56 HH21 ARG 6 1HH2 ARG 6 -15.732 24.792 -21.343 57 HH22 ARG 6 2HH2 ARG 6 -16.812 25.826 -20.469 58 H LEU 7 H LEU 7 -15.764 22.745 -27.783 59 HA LEU 7 HA LEU 7 -18.427 21.868 -27.068 60 HB2 LEU 7 2HB LEU 7 -18.188 21.463 -29.599 61 HB3 LEU 7 3HB LEU 7 -16.945 20.294 -29.221 62 HG LEU 7 HG LEU 7 -19.285 19.365 -29.744 63 HD11 LEU 7 1HD1 LEU 7 -18.089 18.516 -27.091 64 HD12 LEU 7 2HD1 LEU 7 -17.614 17.927 -28.686 65 HD13 LEU 7 3HD1 LEU 7 -19.227 17.579 -28.065 66 HD21 LEU 7 3HD2 LEU 7 -20.988 19.401 -27.983 67 HD22 LEU 7 1HD2 LEU 7 -20.582 21.044 -28.476 68 HD23 LEU 7 2HD2 LEU 7 -19.948 20.396 -26.962 69 H ILE 8 H ILE 8 -17.787 21.404 -25.030 70 HA ILE 8 HA ILE 8 -15.506 19.567 -24.568 71 HB ILE 8 HB ILE 8 -14.994 21.683 -23.525 72 HG12 ILE 8 2HG1 ILE 8 -16.007 19.784 -21.352 73 HG13 ILE 8 3HG1 ILE 8 -14.446 19.678 -22.152 74 HG21 ILE 8 1HG2 ILE 8 -16.466 22.854 -21.911 75 HG22 ILE 8 2HG2 ILE 8 -17.723 21.644 -22.175 76 HG23 ILE 8 3HG2 ILE 8 -17.235 22.710 -23.494 77 HD11 ILE 8 3HD1 ILE 8 -14.264 20.606 -19.927 78 HD12 ILE 8 1HD1 ILE 8 -15.362 21.919 -20.353 79 HD13 ILE 8 2HD1 ILE 8 -13.783 21.795 -21.136 80 H ARG 9 H ARG 9 -15.909 17.701 -23.484 81 HA ARG 9 HA ARG 9 -18.626 17.188 -22.409 82 HB2 ARG 9 2HB ARG 9 -16.896 15.268 -24.035 83 HB3 ARG 9 3HB ARG 9 -18.442 14.858 -23.292 84 HG2 ARG 9 2HG ARG 9 -19.613 16.399 -24.776 85 HG3 ARG 9 3HG ARG 9 -18.083 16.974 -25.440 86 HD2 ARG 9 2HD ARG 9 -19.219 14.173 -25.726 87 HD3 ARG 9 3HD ARG 9 -19.163 15.418 -26.979 88 HE ARG 9 HE ARG 9 -16.573 14.799 -25.908 89 HH11 ARG 9 1HH1 ARG 9 -18.919 13.820 -28.352 90 HH12 ARG 9 2HH1 ARG 9 -17.747 12.934 -29.276 91 HH21 ARG 9 1HH2 ARG 9 -15.069 13.632 -27.128 92 HH22 ARG 9 2HH2 ARG 9 -15.564 12.838 -28.585 93 H THR 10 H THR 10 -18.507 16.761 -20.305 94 HA THR 10 HA THR 10 -16.044 16.308 -18.912 95 HB THR 10 HB THR 10 -17.564 16.121 -16.867 96 HG1 THR 10 HG1 THR 10 -19.628 16.812 -18.723 97 HG21 THR 10 3HG2 THR 10 -16.627 18.310 -17.534 98 HG22 THR 10 1HG2 THR 10 -18.256 18.498 -16.881 99 HG23 THR 10 2HG2 THR 10 -17.989 18.579 -18.623 100 H ARG 11 H ARG 11 -15.227 14.387 -19.691 101 HA ARG 11 HA ARG 11 -16.672 11.871 -19.146 102 HB2 ARG 11 2HB ARG 11 -14.364 12.533 -21.023 103 HB3 ARG 11 3HB ARG 11 -14.853 10.880 -20.675 104 HG2 ARG 11 2HG ARG 11 -16.648 12.994 -21.921 105 HG3 ARG 11 3HG ARG 11 -15.807 11.718 -22.804 106 HD2 ARG 11 2HD ARG 11 -17.081 10.003 -21.596 107 HD3 ARG 11 3HD ARG 11 -17.878 11.252 -20.635 108 HE ARG 11 HE ARG 11 -18.541 11.993 -23.109 109 HH11 ARG 11 1HH1 ARG 11 -18.724 8.812 -21.597 110 HH12 ARG 11 2HH1 ARG 11 -20.110 8.335 -22.525 111 HH21 ARG 11 1HH2 ARG 11 -20.348 11.336 -24.294 112 HH22 ARG 11 2HH2 ARG 11 -21.025 9.757 -24.042 113 H GLY 12 H GLY 12 -16.180 10.911 -17.328 114 HA2 GLY 12 2HA GLY 12 -13.634 10.055 -16.535 115 HA3 GLY 12 3HA GLY 12 -14.017 11.511 -15.604 116 H GLY 13 H GLY 13 -15.909 8.704 -16.772 117 HA2 GLY 13 2HA GLY 13 -17.670 8.630 -14.529 118 HA3 GLY 13 3HA GLY 13 -17.528 7.417 -15.789 119 H ASN 14 H ASN 14 -17.054 8.016 -12.542 120 HA ASN 14 HA ASN 14 -14.770 6.322 -12.025 121 HB2 ASN 14 2HB ASN 14 -16.866 7.396 -10.075 122 HB3 ASN 14 3HB ASN 14 -15.355 6.616 -9.622 123 HD21 ASN 14 1HD2 ASN 14 -16.815 9.526 -10.823 124 HD22 ASN 14 2HD2 ASN 14 -15.412 10.526 -10.674 125 H THR 15 H THR 15 -14.990 4.199 -12.517 126 HA THR 15 HA THR 15 -17.387 2.657 -12.173 127 HB THR 15 HB THR 15 -15.755 0.659 -12.529 128 HG1 THR 15 HG1 THR 15 -13.963 2.587 -12.140 129 HG21 THR 15 3HG2 THR 15 -15.876 2.807 -14.689 130 HG22 THR 15 1HG2 THR 15 -17.124 1.590 -14.369 131 HG23 THR 15 2HG2 THR 15 -15.536 1.095 -14.949 132 H LYS 16 H LYS 16 -18.090 2.777 -10.084 133 HA LYS 16 HA LYS 16 -16.480 2.069 -7.790 134 HB2 LYS 16 2HB LYS 16 -18.726 2.095 -6.591 135 HB3 LYS 16 3HB LYS 16 -18.286 3.598 -7.382 136 HG2 LYS 16 2HG LYS 16 -19.805 2.975 -9.298 137 HG3 LYS 16 3HG LYS 16 -20.324 1.569 -8.365 138 HD2 LYS 16 2HD LYS 16 -20.658 4.484 -7.543 139 HD3 LYS 16 3HD LYS 16 -21.928 3.456 -8.207 140 HE2 LYS 16 2HE LYS 16 -20.488 2.984 -5.572 141 HE3 LYS 16 3HE LYS 16 -22.097 3.681 -5.743 142 HZ1 LYS 16 3HZ LYS 16 -21.321 0.953 -6.607 143 HZ2 LYS 16 1HZ LYS 16 -22.866 1.626 -6.696 144 HZ3 LYS 16 2HZ LYS 16 -22.159 1.328 -5.189 145 H VAL 17 H VAL 17 -15.690 0.059 -7.778 146 HA VAL 17 HA VAL 17 -17.280 -2.332 -7.890 147 HB VAL 17 HB VAL 17 -17.181 -1.696 -10.331 148 HG11 VAL 17 1HG1 VAL 17 -15.009 -0.555 -10.356 149 HG12 VAL 17 2HG1 VAL 17 -15.087 -1.803 -11.599 150 HG13 VAL 17 3HG1 VAL 17 -14.177 -2.096 -10.115 151 HG21 VAL 17 3HG2 VAL 17 -16.500 -3.876 -11.238 152 HG22 VAL 17 1HG2 VAL 17 -17.420 -4.074 -9.746 153 HG23 VAL 17 2HG2 VAL 17 -15.666 -4.267 -9.731 154 H ARG 18 H ARG 18 -15.885 -4.294 -7.648 155 HA ARG 18 HA ARG 18 -13.655 -3.888 -5.876 156 HB2 ARG 18 2HB ARG 18 -14.843 -6.446 -7.060 157 HB3 ARG 18 3HB ARG 18 -13.517 -6.441 -5.914 158 HG2 ARG 18 2HG ARG 18 -15.460 -6.956 -4.663 159 HG3 ARG 18 3HG ARG 18 -15.051 -5.288 -4.260 160 HD2 ARG 18 2HD ARG 18 -16.818 -4.483 -5.786 161 HD3 ARG 18 3HD ARG 18 -17.214 -6.151 -6.215 162 HE ARG 18 HE ARG 18 -17.347 -5.797 -3.415 163 HH11 ARG 18 1HH1 ARG 18 -19.193 -5.024 -6.310 164 HH12 ARG 18 2HH1 ARG 18 -20.701 -4.984 -5.462 165 HH21 ARG 18 1HH2 ARG 18 -19.357 -5.733 -2.344 166 HH22 ARG 18 2HH2 ARG 18 -20.800 -5.377 -3.238 167 H LEU 19 H LEU 19 -11.592 -5.313 -6.270 168 HA LEU 19 HA LEU 19 -10.204 -4.202 -8.457 169 HB2 LEU 19 2HB LEU 19 -8.335 -5.844 -7.766 170 HB3 LEU 19 3HB LEU 19 -8.850 -4.624 -6.631 171 HG LEU 19 HG LEU 19 -10.277 -6.473 -5.514 172 HD11 LEU 19 1HD1 LEU 19 -9.501 -8.785 -5.770 173 HD12 LEU 19 2HD1 LEU 19 -8.452 -8.292 -7.104 174 HD13 LEU 19 3HD1 LEU 19 -10.205 -8.163 -7.264 175 HD21 LEU 19 3HD2 LEU 19 -7.254 -6.664 -5.379 176 HD22 LEU 19 1HD2 LEU 19 -8.390 -7.249 -4.156 177 HD23 LEU 19 2HD2 LEU 19 -8.268 -5.524 -4.492 178 H ALA 20 H ALA 20 -9.398 -5.004 -10.340 179 HA ALA 20 HA ALA 20 -9.895 -7.697 -11.288 180 HB1 ALA 20 3HB ALA 20 -12.126 -6.724 -11.669 181 HB2 ALA 20 1HB ALA 20 -11.322 -6.997 -13.216 182 HB3 ALA 20 2HB ALA 20 -11.417 -5.366 -12.544 183 H SER 21 H SER 21 -8.042 -8.143 -12.336 184 HA SER 21 HA SER 21 -6.135 -8.047 -13.514 185 HB2 SER 21 2HB SER 21 -7.252 -5.521 -14.801 186 HB3 SER 21 3HB SER 21 -5.847 -6.422 -15.372 187 HG SER 21 HG SER 21 -7.246 -7.485 -16.488 188 H ASP 22 H ASP 22 -6.740 -4.602 -12.991 189 HA ASP 22 HA ASP 22 -4.088 -4.084 -11.882 190 HB2 ASP 22 2HB ASP 22 -6.538 -2.257 -12.046 191 HB3 ASP 22 3HB ASP 22 -4.924 -1.749 -11.561 192 H THR 23 H THR 23 -3.685 -4.816 -9.871 193 HA THR 23 HA THR 23 -5.643 -5.581 -7.998 194 HB THR 23 HB THR 23 -2.684 -5.048 -7.464 195 HG1 THR 23 HG1 THR 23 -4.014 -7.426 -8.361 196 HG21 THR 23 3HG2 THR 23 -4.025 -5.358 -5.406 197 HG22 THR 23 1HG2 THR 23 -2.945 -6.729 -5.670 198 HG23 THR 23 2HG2 THR 23 -4.663 -6.872 -6.046 199 H ARG 24 H ARG 24 -6.529 -4.529 -6.299 200 HA ARG 24 HA ARG 24 -5.991 -1.646 -5.975 201 HB2 ARG 24 2HB ARG 24 -8.473 -3.301 -5.348 202 HB3 ARG 24 3HB ARG 24 -8.277 -1.620 -4.878 203 HG2 ARG 24 2HG ARG 24 -8.285 -2.628 -7.739 204 HG3 ARG 24 3HG ARG 24 -9.656 -1.893 -6.912 205 HD2 ARG 24 2HD ARG 24 -8.208 0.171 -6.589 206 HD3 ARG 24 3HD ARG 24 -7.035 -0.565 -7.682 207 HE ARG 24 HE ARG 24 -9.524 0.690 -8.368 208 HH11 ARG 24 1HH1 ARG 24 -7.304 -1.789 -9.494 209 HH12 ARG 24 2HH1 ARG 24 -7.746 -1.586 -11.156 210 HH21 ARG 24 1HH2 ARG 24 -10.067 0.932 -10.574 211 HH22 ARG 24 2HH2 ARG 24 -9.301 -0.070 -11.761 212 H ILE 25 H ILE 25 -5.363 -0.891 -4.046 213 HA ILE 25 HA ILE 25 -5.214 -2.648 -1.697 214 HB ILE 25 HB ILE 25 -3.076 -2.971 -2.833 215 HG12 ILE 25 2HG1 ILE 25 -2.627 -1.088 -0.464 216 HG13 ILE 25 3HG1 ILE 25 -3.033 -2.792 -0.319 217 HG21 ILE 25 1HG2 ILE 25 -3.063 -0.951 -4.239 218 HG22 ILE 25 2HG2 ILE 25 -1.536 -1.133 -3.379 219 HG23 ILE 25 3HG2 ILE 25 -2.719 0.048 -2.821 220 HD11 ILE 25 3HD1 ILE 25 -0.671 -2.433 0.044 221 HD12 ILE 25 1HD1 ILE 25 -0.509 -1.673 -1.541 222 HD13 ILE 25 2HD1 ILE 25 -0.921 -3.387 -1.420 223 H ASN 26 H ASN 26 -5.507 -1.561 0.206 224 HA ASN 26 HA ASN 26 -6.218 1.278 0.102 225 HB2 ASN 26 2HB ASN 26 -6.359 -0.785 2.351 226 HB3 ASN 26 3HB ASN 26 -6.873 0.892 2.513 227 HD21 ASN 26 1HD2 ASN 26 -7.544 -2.167 0.916 228 HD22 ASN 26 2HD2 ASN 26 -9.188 -1.813 0.517 229 H VAL 27 H VAL 27 -4.431 2.488 0.029 230 HA VAL 27 HA VAL 27 -1.981 1.775 1.424 231 HB VAL 27 HB VAL 27 -2.623 4.117 -0.448 232 HG11 VAL 27 1HG1 VAL 27 0.077 3.159 0.584 233 HG12 VAL 27 2HG1 VAL 27 -0.742 4.660 1.027 234 HG13 VAL 27 3HG1 VAL 27 -0.171 4.425 -0.625 235 HG21 VAL 27 3HG2 VAL 27 -1.398 2.851 -2.187 236 HG22 VAL 27 1HG2 VAL 27 -2.806 1.951 -1.614 237 HG23 VAL 27 2HG2 VAL 27 -1.187 1.501 -1.068 238 H VAL 28 H VAL 28 -1.979 2.303 3.509 239 HA VAL 28 HA VAL 28 -3.366 4.674 4.549 240 HB VAL 28 HB VAL 28 -1.949 2.441 6.105 241 HG11 VAL 28 1HG1 VAL 28 -2.207 4.494 7.417 242 HG12 VAL 28 2HG1 VAL 28 -3.280 3.236 8.036 243 HG13 VAL 28 3HG1 VAL 28 -3.932 4.543 7.043 244 HG21 VAL 28 3HG2 VAL 28 -4.910 2.663 5.448 245 HG22 VAL 28 1HG2 VAL 28 -4.175 1.459 6.509 246 HG23 VAL 28 2HG2 VAL 28 -3.789 1.468 4.787 247 H ASP 29 H ASP 29 -2.054 6.384 4.104 248 HA ASP 29 HA ASP 29 0.760 6.483 4.253 249 HB2 ASP 29 2HB ASP 29 -0.752 8.178 3.090 250 HB3 ASP 29 3HB ASP 29 -1.160 8.821 4.677 251 HA PRO 30 HA PRO 30 0.775 5.977 8.766 252 HB2 PRO 30 2HB PRO 30 3.463 5.925 9.204 253 HB3 PRO 30 3HB PRO 30 2.630 4.616 8.353 254 HG2 PRO 30 2HG PRO 30 4.130 6.960 7.173 255 HG3 PRO 30 3HG PRO 30 4.287 5.233 6.777 256 HD2 PRO 30 2HD PRO 30 2.769 6.890 5.258 257 HD3 PRO 30 3HD PRO 30 2.301 5.198 5.531 258 H GLU 31 H GLU 31 2.027 8.754 7.143 259 HA GLU 31 HA GLU 31 2.898 10.151 9.577 260 HB2 GLU 31 2HB GLU 31 3.047 10.927 6.634 261 HB3 GLU 31 3HB GLU 31 3.814 11.800 7.962 262 HG2 GLU 31 2HG GLU 31 5.336 9.997 8.392 263 HG3 GLU 31 3HG GLU 31 4.439 8.902 7.342 264 H THR 32 H THR 32 0.742 10.742 6.790 265 HA THR 32 HA THR 32 -0.572 12.982 8.135 266 HB THR 32 HB THR 32 -1.719 13.343 5.961 267 HG1 THR 32 HG1 THR 32 -0.190 11.333 4.733 268 HG21 THR 32 3HG2 THR 32 0.516 14.354 6.246 269 HG22 THR 32 1HG2 THR 32 0.258 13.866 4.570 270 HG23 THR 32 2HG2 THR 32 1.272 12.881 5.626 271 H GLY 33 H GLY 33 -1.205 9.631 7.313 272 HA2 GLY 33 2HA GLY 33 -2.796 8.234 8.322 273 HA3 GLY 33 3HA GLY 33 -3.689 9.642 8.872 274 H LYS 34 H LYS 34 -2.913 10.018 5.628 275 HA LYS 34 HA LYS 34 -5.630 9.773 4.781 276 HB2 LYS 34 2HB LYS 34 -3.044 10.549 3.425 277 HB3 LYS 34 3HB LYS 34 -4.436 10.173 2.417 278 HG2 LYS 34 2HG LYS 34 -4.150 12.605 2.859 279 HG3 LYS 34 3HG LYS 34 -5.717 11.978 3.368 280 HD2 LYS 34 2HD LYS 34 -4.984 11.965 5.709 281 HD3 LYS 34 3HD LYS 34 -3.365 12.476 5.238 282 HE2 LYS 34 2HE LYS 34 -5.886 14.121 4.832 283 HE3 LYS 34 3HE LYS 34 -4.756 14.321 6.170 284 HZ1 LYS 34 3HZ LYS 34 -4.095 14.654 3.302 285 HZ2 LYS 34 1HZ LYS 34 -3.031 14.877 4.598 286 HZ3 LYS 34 2HZ LYS 34 -4.357 15.905 4.406 287 H VAL 35 H VAL 35 -6.636 7.939 4.226 288 HA VAL 35 HA VAL 35 -5.113 5.642 3.127 289 HB VAL 35 HB VAL 35 -7.925 5.582 4.342 290 HG11 VAL 35 1HG1 VAL 35 -7.576 3.129 4.476 291 HG12 VAL 35 2HG1 VAL 35 -6.003 3.310 3.692 292 HG13 VAL 35 3HG1 VAL 35 -7.480 3.709 2.810 293 HG21 VAL 35 3HG2 VAL 35 -6.908 4.629 6.389 294 HG22 VAL 35 1HG2 VAL 35 -6.323 6.266 6.080 295 HG23 VAL 35 2HG2 VAL 35 -5.297 4.878 5.712 296 H GLU 36 H GLU 36 -5.593 4.929 1.085 297 HA GLU 36 HA GLU 36 -8.077 5.669 -0.263 298 HB2 GLU 36 2HB GLU 36 -6.552 7.612 -0.677 299 HB3 GLU 36 3HB GLU 36 -5.373 6.522 -1.395 300 HG2 GLU 36 2HG GLU 36 -7.051 5.929 -3.151 301 HG3 GLU 36 3HG GLU 36 -8.154 7.115 -2.451 302 H ILE 37 H ILE 37 -8.503 4.369 -2.102 303 HA ILE 37 HA ILE 37 -7.066 1.812 -2.179 304 HB ILE 37 HB ILE 37 -9.630 2.642 -3.632 305 HG12 ILE 37 2HG1 ILE 37 -9.275 0.997 -1.078 306 HG13 ILE 37 3HG1 ILE 37 -9.980 2.606 -1.186 307 HG21 ILE 37 1HG2 ILE 37 -8.428 0.834 -4.805 308 HG22 ILE 37 2HG2 ILE 37 -9.928 0.234 -4.104 309 HG23 ILE 37 3HG2 ILE 37 -8.387 -0.119 -3.318 310 HD11 ILE 37 3HD1 ILE 37 -11.692 0.939 -0.912 311 HD12 ILE 37 1HD1 ILE 37 -11.129 0.073 -2.342 312 HD13 ILE 37 2HD1 ILE 37 -11.834 1.683 -2.504 313 H ALA 38 H ALA 38 -5.206 2.158 -3.282 314 HA ALA 38 HA ALA 38 -5.138 3.558 -5.864 315 HB1 ALA 38 3HB ALA 38 -2.862 2.514 -4.132 316 HB2 ALA 38 1HB ALA 38 -3.446 4.178 -4.175 317 HB3 ALA 38 2HB ALA 38 -2.680 3.476 -5.601 318 H GLU 39 H GLU 39 -3.531 2.492 -7.463 319 HA GLU 39 HA GLU 39 -4.209 -0.381 -7.818 320 HB2 GLU 39 2HB GLU 39 -3.429 1.659 -9.945 321 HB3 GLU 39 3HB GLU 39 -3.796 -0.040 -10.237 322 HG2 GLU 39 2HG GLU 39 -6.119 0.318 -9.587 323 HG3 GLU 39 3HG GLU 39 -5.771 1.995 -9.171 324 H ILE 40 H ILE 40 -2.508 -1.767 -7.844 325 HA ILE 40 HA ILE 40 0.161 -0.831 -7.288 326 HB ILE 40 HB ILE 40 -0.859 -3.660 -7.832 327 HG12 ILE 40 2HG1 ILE 40 -0.287 -2.200 -5.203 328 HG13 ILE 40 3HG1 ILE 40 -1.869 -2.667 -5.807 329 HG21 ILE 40 1HG2 ILE 40 1.280 -4.446 -6.819 330 HG22 ILE 40 2HG2 ILE 40 1.844 -2.774 -6.735 331 HG23 ILE 40 3HG2 ILE 40 1.554 -3.529 -8.304 332 HD11 ILE 40 3HD1 ILE 40 -1.164 -4.131 -4.030 333 HD12 ILE 40 1HD1 ILE 40 0.310 -4.543 -4.907 334 HD13 ILE 40 2HD1 ILE 40 -1.261 -5.031 -5.545 335 H ARG 41 H ARG 41 1.404 -0.019 -8.876 336 HA ARG 41 HA ARG 41 0.998 -0.477 -11.683 337 HB2 ARG 41 2HB ARG 41 3.481 0.733 -10.375 338 HB3 ARG 41 3HB ARG 41 2.928 0.959 -12.029 339 HG2 ARG 41 2HG ARG 41 0.967 2.249 -11.136 340 HG3 ARG 41 3HG ARG 41 1.662 2.087 -9.517 341 HD2 ARG 41 2HD ARG 41 3.789 3.154 -10.490 342 HD3 ARG 41 3HD ARG 41 2.823 3.569 -11.906 343 HE ARG 41 HE ARG 41 2.408 4.576 -9.156 344 HH11 ARG 41 1HH1 ARG 41 1.790 4.939 -12.586 345 HH12 ARG 41 2HH1 ARG 41 1.337 6.607 -12.441 346 HH21 ARG 41 1HH2 ARG 41 1.849 6.782 -9.004 347 HH22 ARG 41 2HH2 ARG 41 1.361 7.644 -10.430 348 H ASN 42 H ASN 42 3.443 -1.313 -9.309 349 HA ASN 42 HA ASN 42 4.707 -3.299 -11.090 350 HB2 ASN 42 2HB ASN 42 6.069 -1.260 -11.089 351 HB3 ASN 42 3HB ASN 42 6.004 -1.162 -9.337 352 HD21 ASN 42 1HD2 ASN 42 8.219 -1.157 -9.116 353 HD22 ASN 42 2HD2 ASN 42 9.194 -2.552 -9.413 354 H VAL 43 H VAL 43 4.405 -5.216 -10.157 355 HA VAL 43 HA VAL 43 3.846 -5.528 -7.315 356 HB VAL 43 HB VAL 43 3.515 -7.952 -7.821 357 HG11 VAL 43 1HG1 VAL 43 1.961 -6.078 -9.640 358 HG12 VAL 43 2HG1 VAL 43 1.610 -6.422 -7.942 359 HG13 VAL 43 3HG1 VAL 43 1.455 -7.699 -9.148 360 HG21 VAL 43 3HG2 VAL 43 3.522 -8.752 -10.171 361 HG22 VAL 43 1HG2 VAL 43 5.124 -8.206 -9.669 362 HG23 VAL 43 2HG2 VAL 43 4.130 -7.180 -10.704 363 H VAL 44 H VAL 44 6.632 -5.659 -9.329 364 HA VAL 44 HA VAL 44 8.187 -7.363 -7.579 365 HB VAL 44 HB VAL 44 9.889 -7.314 -9.120 366 HG11 VAL 44 1HG1 VAL 44 7.770 -6.113 -10.918 367 HG12 VAL 44 2HG1 VAL 44 7.945 -7.824 -10.524 368 HG13 VAL 44 3HG1 VAL 44 9.200 -7.001 -11.458 369 HG21 VAL 44 3HG2 VAL 44 10.737 -5.360 -10.385 370 HG22 VAL 44 1HG2 VAL 44 10.666 -5.028 -8.652 371 HG23 VAL 44 2HG2 VAL 44 9.436 -4.368 -9.732 372 H GLU 45 H GLU 45 9.650 -6.629 -6.024 373 HA GLU 45 HA GLU 45 9.197 -3.993 -4.914 374 HB2 GLU 45 2HB GLU 45 10.686 -4.645 -3.086 375 HB3 GLU 45 3HB GLU 45 9.471 -5.871 -3.378 376 HG2 GLU 45 2HG GLU 45 12.367 -6.070 -4.258 377 HG3 GLU 45 3HG GLU 45 11.711 -6.796 -2.801 378 H ASN 46 H ASN 46 12.038 -5.724 -6.158 379 HA ASN 46 HA ASN 46 13.202 -3.889 -7.798 380 HB2 ASN 46 2HB ASN 46 15.038 -2.868 -6.479 381 HB3 ASN 46 3HB ASN 46 13.476 -2.326 -5.885 382 HD21 ASN 46 1HD2 ASN 46 12.734 -3.153 -3.860 383 HD22 ASN 46 2HD2 ASN 46 13.837 -3.774 -2.686 384 H THR 47 H THR 47 14.526 -5.204 -8.947 385 HA THR 47 HA THR 47 16.275 -7.154 -7.626 386 HB THR 47 HB THR 47 15.612 -8.890 -9.433 387 HG1 THR 47 HG1 THR 47 13.421 -8.614 -10.213 388 HG21 THR 47 3HG2 THR 47 14.912 -9.215 -7.085 389 HG22 THR 47 1HG2 THR 47 13.677 -9.781 -8.212 390 HG23 THR 47 2HG2 THR 47 13.470 -8.240 -7.377 391 H ALA 48 H ALA 48 15.242 -6.539 -10.980 392 HA ALA 48 HA ALA 48 17.439 -5.031 -11.891 393 HB1 ALA 48 3HB ALA 48 17.595 -8.013 -12.526 394 HB2 ALA 48 1HB ALA 48 18.752 -7.104 -11.549 395 HB3 ALA 48 2HB ALA 48 18.592 -6.761 -13.274 396 H ASN 49 H ASN 49 16.403 -3.941 -13.469 397 HA ASN 49 HA ASN 49 14.907 -3.286 -15.020 398 HB2 ASN 49 2HB ASN 49 14.858 -6.217 -15.878 399 HB3 ASN 49 3HB ASN 49 14.235 -4.868 -16.823 400 HD21 ASN 49 1HD2 ASN 49 16.338 -6.835 -17.478 401 HD22 ASN 49 2HD2 ASN 49 17.748 -5.905 -17.849 402 HA PRO 50 HA PRO 50 11.437 -4.516 -12.215 403 HB2 PRO 50 2HB PRO 50 10.400 -2.067 -11.738 404 HB3 PRO 50 3HB PRO 50 11.937 -2.569 -11.019 405 HG2 PRO 50 2HG PRO 50 11.485 -0.903 -13.501 406 HG3 PRO 50 3HG PRO 50 12.559 -0.567 -12.125 407 HD2 PRO 50 2HD PRO 50 13.478 -1.692 -14.432 408 HD3 PRO 50 3HD PRO 50 14.177 -2.083 -12.844 409 H HIS 51 H HIS 51 11.373 -4.115 -15.384 410 HA HIS 51 HA HIS 51 8.597 -3.393 -15.860 411 HB2 HIS 51 2HB HIS 51 10.635 -2.925 -17.406 412 HB3 HIS 51 3HB HIS 51 10.539 -4.620 -17.867 413 HD1 HIS 51 HD1 HIS 51 8.828 -1.323 -18.295 414 HD2 HIS 51 HD2 HIS 51 8.324 -5.257 -19.568 415 HE1 HIS 51 HE1 HIS 51 7.082 -1.239 -20.095 416 HE2 HIS 51 HE2 HIS 51 6.719 -3.627 -20.777 417 H PHE 52 H PHE 52 8.180 -5.192 -14.168 418 HA PHE 52 HA PHE 52 7.333 -7.152 -13.526 419 HB2 PHE 52 2HB PHE 52 5.597 -6.322 -15.144 420 HB3 PHE 52 3HB PHE 52 6.316 -7.341 -16.383 421 HD1 PHE 52 HD1 PHE 52 4.659 -7.459 -13.024 422 HD2 PHE 52 HD2 PHE 52 5.630 -9.641 -16.585 423 HE1 PHE 52 HE1 PHE 52 3.232 -9.323 -12.286 424 HE2 PHE 52 HE2 PHE 52 4.197 -11.494 -15.828 425 HZ PHE 52 HZ PHE 52 2.998 -11.334 -13.690 426 H VAL 53 H VAL 53 9.735 -7.748 -13.474 427 HA VAL 53 HA VAL 53 10.325 -10.160 -15.057 428 HB VAL 53 HB VAL 53 12.508 -10.198 -13.746 429 HG11 VAL 53 1HG1 VAL 53 12.426 -9.260 -16.000 430 HG12 VAL 53 2HG1 VAL 53 13.544 -8.340 -14.991 431 HG13 VAL 53 3HG1 VAL 53 11.943 -7.688 -15.355 432 HG21 VAL 53 3HG2 VAL 53 11.575 -7.476 -12.749 433 HG22 VAL 53 1HG2 VAL 53 13.179 -8.175 -12.503 434 HG23 VAL 53 2HG2 VAL 53 11.765 -8.927 -11.761 435 H ARG 54 H ARG 54 9.054 -9.232 -12.015 436 HA ARG 54 HA ARG 54 9.112 -11.998 -10.966 437 HB2 ARG 54 2HB ARG 54 8.447 -9.446 -9.426 438 HB3 ARG 54 3HB ARG 54 8.738 -11.047 -8.749 439 HG2 ARG 54 2HG ARG 54 10.822 -9.369 -10.184 440 HG3 ARG 54 3HG ARG 54 10.635 -9.448 -8.434 441 HD2 ARG 54 2HD ARG 54 11.158 -11.919 -10.103 442 HD3 ARG 54 3HD ARG 54 12.460 -10.899 -9.487 443 HE ARG 54 HE ARG 54 10.493 -11.969 -7.584 444 HH11 ARG 54 1HH1 ARG 54 13.785 -12.075 -8.838 445 HH12 ARG 54 2HH1 ARG 54 14.409 -12.903 -7.449 446 HH21 ARG 54 1HH2 ARG 54 11.344 -13.000 -5.756 447 HH22 ARG 54 2HH2 ARG 54 13.021 -13.441 -5.708 448 H ARG 55 H ARG 55 7.102 -12.697 -9.900 449 HA ARG 55 HA ARG 55 4.832 -12.216 -11.660 450 HB2 ARG 55 2HB ARG 55 5.229 -14.165 -9.345 451 HB3 ARG 55 3HB ARG 55 3.812 -14.138 -10.391 452 HG2 ARG 55 2HG ARG 55 6.658 -14.736 -11.261 453 HG3 ARG 55 3HG ARG 55 5.368 -15.918 -11.039 454 HD2 ARG 55 2HD ARG 55 5.411 -13.684 -13.099 455 HD3 ARG 55 3HD ARG 55 5.665 -15.405 -13.414 456 HE ARG 55 HE ARG 55 3.211 -15.305 -12.206 457 HH11 ARG 55 1HH1 ARG 55 4.549 -13.734 -15.068 458 HH12 ARG 55 2HH1 ARG 55 3.018 -13.654 -15.877 459 HH21 ARG 55 1HH2 ARG 55 1.226 -15.186 -13.286 460 HH22 ARG 55 2HH2 ARG 55 1.140 -14.498 -14.875 461 H ASN 56 H ASN 56 2.613 -12.187 -10.640 462 HA ASN 56 HA ASN 56 2.323 -9.940 -8.844 463 HB2 ASN 56 2HB ASN 56 0.187 -11.770 -10.026 464 HB3 ASN 56 3HB ASN 56 -0.115 -10.242 -9.213 465 HD21 ASN 56 1HD2 ASN 56 0.256 -8.321 -10.338 466 HD22 ASN 56 2HD2 ASN 56 0.574 -8.278 -12.030 467 H ILE 57 H ILE 57 3.429 -12.670 -7.856 468 HA ILE 57 HA ILE 57 1.614 -13.530 -5.820 469 HB ILE 57 HB ILE 57 4.632 -13.983 -6.016 470 HG12 ILE 57 2HG1 ILE 57 2.300 -15.751 -6.897 471 HG13 ILE 57 3HG1 ILE 57 3.445 -14.939 -7.956 472 HG21 ILE 57 1HG2 ILE 57 3.829 -14.290 -3.705 473 HG22 ILE 57 2HG2 ILE 57 4.283 -15.842 -4.402 474 HG23 ILE 57 3HG2 ILE 57 2.579 -15.405 -4.264 475 HD11 ILE 57 3HD1 ILE 57 3.929 -17.289 -7.809 476 HD12 ILE 57 1HD1 ILE 57 4.059 -17.190 -6.053 477 HD13 ILE 57 2HD1 ILE 57 5.240 -16.364 -7.073 478 H ILE 58 H ILE 58 0.981 -11.791 -4.686 479 HA ILE 58 HA ILE 58 2.873 -9.959 -3.393 480 HB ILE 58 HB ILE 58 -0.192 -9.995 -3.522 481 HG12 ILE 58 2HG1 ILE 58 1.771 -8.167 -5.008 482 HG13 ILE 58 3HG1 ILE 58 0.998 -9.573 -5.725 483 HG21 ILE 58 1HG2 ILE 58 1.642 -7.815 -2.444 484 HG22 ILE 58 2HG2 ILE 58 0.573 -8.841 -1.483 485 HG23 ILE 58 3HG2 ILE 58 -0.108 -7.688 -2.629 486 HD11 ILE 58 3HD1 ILE 58 -1.182 -8.527 -5.434 487 HD12 ILE 58 1HD1 ILE 58 -0.092 -7.534 -6.402 488 HD13 ILE 58 2HD1 ILE 58 -0.407 -7.112 -4.717 489 H THR 59 H THR 59 3.399 -10.207 -1.243 490 HA THR 59 HA THR 59 1.849 -12.085 0.472 491 HB THR 59 HB THR 59 4.085 -12.732 1.508 492 HG1 THR 59 HG1 THR 59 5.167 -11.476 -0.822 493 HG21 THR 59 3HG2 THR 59 4.799 -14.271 -0.299 494 HG22 THR 59 1HG2 THR 59 3.814 -13.384 -1.462 495 HG23 THR 59 2HG2 THR 59 3.042 -14.263 -0.134 496 H ARG 60 H ARG 60 2.227 -11.670 2.843 497 HA ARG 60 HA ARG 60 2.069 -8.854 3.460 498 HB2 ARG 60 2HB ARG 60 0.812 -10.648 4.747 499 HB3 ARG 60 3HB ARG 60 2.342 -11.167 5.448 500 HG2 ARG 60 2HG ARG 60 2.584 -8.783 6.350 501 HG3 ARG 60 3HG ARG 60 0.916 -8.511 5.844 502 HD2 ARG 60 2HD ARG 60 0.884 -9.059 8.185 503 HD3 ARG 60 3HD ARG 60 0.255 -10.462 7.308 504 HE ARG 60 HE ARG 60 2.997 -10.853 7.617 505 HH11 ARG 60 1HH1 ARG 60 0.180 -10.644 9.730 506 HH12 ARG 60 2HH1 ARG 60 0.919 -11.578 10.989 507 HH21 ARG 60 1HH2 ARG 60 3.944 -12.044 9.323 508 HH22 ARG 60 2HH2 ARG 60 3.032 -12.355 10.768 509 H GLY 61 H GLY 61 3.599 -7.572 4.518 510 HA2 GLY 61 2HA GLY 61 5.654 -6.866 5.307 511 HA3 GLY 61 3HA GLY 61 6.213 -8.528 5.315 512 H ALA 62 H ALA 62 4.904 -7.923 2.318 513 HA ALA 62 HA ALA 62 7.508 -7.634 1.033 514 HB1 ALA 62 3HB ALA 62 4.738 -8.034 -0.156 515 HB2 ALA 62 1HB ALA 62 5.908 -9.312 0.199 516 HB3 ALA 62 2HB ALA 62 6.263 -8.112 -1.040 517 H VAL 63 H VAL 63 7.805 -6.062 -0.750 518 HA VAL 63 HA VAL 63 6.278 -3.548 -0.366 519 HB VAL 63 HB VAL 63 9.011 -3.815 -1.704 520 HG11 VAL 63 1HG1 VAL 63 9.046 -1.333 -1.466 521 HG12 VAL 63 2HG1 VAL 63 7.396 -1.382 -0.845 522 HG13 VAL 63 3HG1 VAL 63 7.733 -1.897 -2.500 523 HG21 VAL 63 3HG2 VAL 63 8.419 -2.849 1.120 524 HG22 VAL 63 1HG2 VAL 63 9.994 -2.812 0.319 525 HG23 VAL 63 2HG2 VAL 63 9.229 -4.358 0.695 526 H VAL 64 H VAL 64 4.905 -3.085 -1.899 527 HA VAL 64 HA VAL 64 5.394 -3.860 -4.722 528 HB VAL 64 HB VAL 64 2.945 -3.452 -5.104 529 HG11 VAL 64 1HG1 VAL 64 2.108 -5.534 -4.088 530 HG12 VAL 64 2HG1 VAL 64 3.498 -5.576 -3.001 531 HG13 VAL 64 3HG1 VAL 64 3.737 -5.750 -4.740 532 HG21 VAL 64 3HG2 VAL 64 2.503 -1.908 -3.220 533 HG22 VAL 64 1HG2 VAL 64 2.745 -3.221 -2.067 534 HG23 VAL 64 2HG2 VAL 64 1.384 -3.271 -3.193 535 H GLU 65 H GLU 65 4.645 -2.091 -6.274 536 HA GLU 65 HA GLU 65 4.834 0.636 -5.128 537 HB2 GLU 65 2HB GLU 65 6.674 0.054 -6.752 538 HB3 GLU 65 3HB GLU 65 5.453 -0.213 -7.992 539 HG2 GLU 65 2HG GLU 65 4.709 2.204 -7.616 540 HG3 GLU 65 3HG GLU 65 6.157 2.405 -6.629 541 H THR 66 H THR 66 3.172 2.023 -5.578 542 HA THR 66 HA THR 66 0.808 0.969 -7.029 543 HB THR 66 HB THR 66 -0.660 1.869 -5.287 544 HG1 THR 66 HG1 THR 66 1.472 2.477 -3.552 545 HG21 THR 66 3HG2 THR 66 1.543 0.211 -3.987 546 HG22 THR 66 1HG2 THR 66 0.165 -0.430 -4.890 547 HG23 THR 66 2HG2 THR 66 -0.096 0.419 -3.367 548 H ASN 67 H ASN 67 -0.848 2.972 -7.143 549 HA ASN 67 HA ASN 67 0.199 4.958 -8.810 550 HB2 ASN 67 2HB ASN 67 -2.380 4.946 -7.192 551 HB3 ASN 67 3HB ASN 67 -1.988 6.205 -8.362 552 HD21 ASN 67 1HD2 ASN 67 -4.256 4.509 -8.465 553 HD22 ASN 67 2HD2 ASN 67 -4.145 3.592 -9.927 554 H LEU 68 H LEU 68 -0.007 4.831 -5.338 555 HA LEU 68 HA LEU 68 0.607 7.667 -4.989 556 HB2 LEU 68 2HB LEU 68 0.185 5.472 -2.927 557 HB3 LEU 68 3HB LEU 68 0.318 7.193 -2.584 558 HG LEU 68 HG LEU 68 -1.926 5.860 -4.165 559 HD11 LEU 68 1HD1 LEU 68 -2.031 7.167 -1.439 560 HD12 LEU 68 2HD1 LEU 68 -2.124 5.436 -1.774 561 HD13 LEU 68 3HD1 LEU 68 -3.403 6.509 -2.338 562 HD21 LEU 68 3HD2 LEU 68 -3.022 8.063 -4.241 563 HD22 LEU 68 1HD2 LEU 68 -1.478 8.084 -5.094 564 HD23 LEU 68 2HD2 LEU 68 -1.608 8.804 -3.486 565 H GLY 69 H GLY 69 2.157 4.493 -4.336 566 HA2 GLY 69 2HA GLY 69 4.752 5.121 -5.012 567 HA3 GLY 69 3HA GLY 69 4.623 5.629 -3.327 568 H ASN 70 H ASN 70 6.377 3.914 -3.085 569 HA ASN 70 HA ASN 70 5.574 1.149 -3.292 570 HB2 ASN 70 2HB ASN 70 7.986 2.453 -1.976 571 HB3 ASN 70 3HB ASN 70 7.684 0.723 -1.874 572 HD21 ASN 70 1HD2 ASN 70 7.557 -0.469 -3.932 573 HD22 ASN 70 2HD2 ASN 70 8.523 0.072 -5.260 574 H VAL 71 H VAL 71 4.681 -0.136 -1.778 575 HA VAL 71 HA VAL 71 3.957 0.987 0.874 576 HB VAL 71 HB VAL 71 2.179 -0.623 -1.056 577 HG11 VAL 71 1HG1 VAL 71 1.414 0.607 1.616 578 HG12 VAL 71 2HG1 VAL 71 1.632 -1.114 1.296 579 HG13 VAL 71 3HG1 VAL 71 0.329 -0.232 0.504 580 HG21 VAL 71 3HG2 VAL 71 0.821 1.435 -1.288 581 HG22 VAL 71 1HG2 VAL 71 2.472 1.663 -1.873 582 HG23 VAL 71 2HG2 VAL 71 1.994 2.319 -0.305 583 H ARG 72 H ARG 72 3.967 -0.484 2.570 584 HA ARG 72 HA ARG 72 4.973 -3.213 2.199 585 HB2 ARG 72 2HB ARG 72 4.297 -1.561 4.662 586 HB3 ARG 72 3HB ARG 72 4.539 -3.296 4.789 587 HG2 ARG 72 2HG ARG 72 6.616 -1.366 3.724 588 HG3 ARG 72 3HG ARG 72 6.527 -1.923 5.396 589 HD2 ARG 72 2HD ARG 72 6.851 -4.260 4.612 590 HD3 ARG 72 3HD ARG 72 6.993 -3.670 2.952 591 HE ARG 72 HE ARG 72 8.792 -2.317 4.674 592 HH11 ARG 72 1HH1 ARG 72 8.494 -5.396 2.988 593 HH12 ARG 72 2HH1 ARG 72 10.210 -5.618 2.883 594 HH21 ARG 72 1HH2 ARG 72 11.005 -2.648 4.542 595 HH22 ARG 72 2HH2 ARG 72 11.625 -4.071 3.768 596 H VAL 73 H VAL 73 3.579 -4.842 1.836 597 HA VAL 73 HA VAL 73 0.727 -4.492 1.869 598 HB VAL 73 HB VAL 73 2.402 -7.018 1.469 599 HG11 VAL 73 1HG1 VAL 73 0.396 -7.962 0.362 600 HG12 VAL 73 2HG1 VAL 73 -0.519 -6.512 0.779 601 HG13 VAL 73 3HG1 VAL 73 0.080 -7.574 2.054 602 HG21 VAL 73 3HG2 VAL 73 2.100 -6.626 -0.957 603 HG22 VAL 73 1HG2 VAL 73 2.971 -5.295 -0.192 604 HG23 VAL 73 2HG2 VAL 73 1.267 -5.109 -0.614 605 H THR 74 H THR 74 -0.569 -4.851 3.604 606 HA THR 74 HA THR 74 0.551 -6.162 6.018 607 HB THR 74 HB THR 74 -1.112 -4.814 7.310 608 HG1 THR 74 HG1 THR 74 -2.739 -4.248 6.022 609 HG21 THR 74 3HG2 THR 74 1.170 -3.881 6.999 610 HG22 THR 74 1HG2 THR 74 -0.038 -2.592 7.008 611 HG23 THR 74 2HG2 THR 74 0.659 -3.136 5.481 612 H SER 75 H SER 75 -2.064 -6.237 3.682 613 HA SER 75 HA SER 75 -3.571 -8.253 5.179 614 HB2 SER 75 2HB SER 75 -4.116 -7.039 2.438 615 HB3 SER 75 3HB SER 75 -5.209 -8.105 3.327 616 HG SER 75 HG SER 75 -5.547 -6.543 4.807 617 H ARG 76 H ARG 76 -4.422 -10.108 3.783 618 HA ARG 76 HA ARG 76 -2.287 -11.379 2.184 619 HB2 ARG 76 2HB ARG 76 -4.725 -12.573 3.581 620 HB3 ARG 76 3HB ARG 76 -3.568 -13.491 2.618 621 HG2 ARG 76 2HG ARG 76 -2.920 -11.992 5.177 622 HG3 ARG 76 3HG ARG 76 -3.169 -13.734 5.038 623 HD2 ARG 76 2HD ARG 76 -1.206 -13.899 3.553 624 HD3 ARG 76 3HD ARG 76 -0.967 -12.154 3.660 625 HE ARG 76 HE ARG 76 -0.912 -12.943 6.245 626 HH11 ARG 76 1HH1 ARG 76 0.887 -13.985 3.394 627 HH12 ARG 76 2HH1 ARG 76 2.316 -14.362 4.301 628 HH21 ARG 76 1HH2 ARG 76 0.985 -13.449 7.395 629 HH22 ARG 76 2HH2 ARG 76 2.368 -14.072 6.554 630 HA PRO 77 HA PRO 77 -4.725 -10.170 -1.401 631 HB2 PRO 77 2HB PRO 77 -3.643 -11.930 -3.259 632 HB3 PRO 77 3HB PRO 77 -2.835 -10.449 -2.728 633 HG2 PRO 77 2HG PRO 77 -2.459 -13.274 -1.715 634 HG3 PRO 77 3HG PRO 77 -1.224 -12.076 -2.174 635 HD2 PRO 77 2HD PRO 77 -1.821 -12.445 0.410 636 HD3 PRO 77 3HD PRO 77 -1.558 -10.797 -0.206 637 H GLY 78 H GLY 78 -6.807 -10.686 -1.542 638 HA2 GLY 78 2HA GLY 78 -8.596 -11.870 -2.464 639 HA3 GLY 78 3HA GLY 78 -7.664 -13.360 -2.409 640 H GLN 79 H GLN 79 -6.888 -13.006 0.404 641 HA GLN 79 HA GLN 79 -8.955 -14.558 1.544 642 HB2 GLN 79 2HB GLN 79 -6.596 -13.188 2.904 643 HB3 GLN 79 3HB GLN 79 -7.593 -14.441 3.633 644 HG2 GLN 79 2HG GLN 79 -5.808 -14.785 1.201 645 HG3 GLN 79 3HG GLN 79 -5.474 -15.364 2.836 646 HE21 GLN 79 1HE2 GLN 79 -6.658 -17.148 3.636 647 HE22 GLN 79 2HE2 GLN 79 -7.522 -18.217 2.591 648 H ASP 80 H ASP 80 -8.189 -11.149 1.731 649 HA ASP 80 HA ASP 80 -10.435 -10.626 3.596 650 HB2 ASP 80 2HB ASP 80 -8.084 -8.865 2.753 651 HB3 ASP 80 3HB ASP 80 -9.367 -8.361 3.851 652 H GLY 81 H GLY 81 -10.164 -10.959 0.417 653 HA2 GLY 81 2HA GLY 81 -11.567 -10.295 -1.304 654 HA3 GLY 81 3HA GLY 81 -12.208 -9.008 -0.292 655 H VAL 82 H VAL 82 -10.363 -7.364 0.287 656 HA VAL 82 HA VAL 82 -8.871 -6.582 -2.157 657 HB VAL 82 HB VAL 82 -10.765 -5.025 -1.391 658 HG11 VAL 82 1HG1 VAL 82 -8.909 -4.408 0.937 659 HG12 VAL 82 2HG1 VAL 82 -10.478 -5.207 1.038 660 HG13 VAL 82 3HG1 VAL 82 -10.384 -3.524 0.522 661 HG21 VAL 82 3HG2 VAL 82 -9.480 -2.936 -1.748 662 HG22 VAL 82 1HG2 VAL 82 -9.008 -4.203 -2.884 663 HG23 VAL 82 2HG2 VAL 82 -7.970 -3.822 -1.505 664 H ILE 83 H ILE 83 -6.769 -5.513 -1.733 665 HA ILE 83 HA ILE 83 -5.368 -6.604 0.620 666 HB ILE 83 HB ILE 83 -4.235 -5.167 -1.837 667 HG12 ILE 83 2HG1 ILE 83 -4.360 -8.139 -1.170 668 HG13 ILE 83 3HG1 ILE 83 -5.192 -7.330 -2.490 669 HG21 ILE 83 1HG2 ILE 83 -2.020 -5.969 -1.079 670 HG22 ILE 83 2HG2 ILE 83 -2.760 -6.662 0.366 671 HG23 ILE 83 3HG2 ILE 83 -2.764 -4.914 0.124 672 HD11 ILE 83 3HD1 ILE 83 -3.322 -8.565 -3.329 673 HD12 ILE 83 1HD1 ILE 83 -2.223 -7.758 -2.214 674 HD13 ILE 83 2HD1 ILE 83 -2.989 -6.844 -3.515 675 H ASN 84 H ASN 84 -4.381 -5.240 2.123 676 HA ASN 84 HA ASN 84 -4.676 -2.298 1.867 677 HB2 ASN 84 2HB ASN 84 -4.887 -3.969 4.426 678 HB3 ASN 84 3HB ASN 84 -4.791 -2.212 4.383 679 HD21 ASN 84 1HD2 ASN 84 -6.762 -2.148 5.519 680 HD22 ASN 84 2HD2 ASN 84 -8.275 -2.418 4.732 681 H GLY 85 H GLY 85 -2.966 -1.147 3.058 682 HA2 GLY 85 2HA GLY 85 -0.623 -2.485 4.015 683 HA3 GLY 85 3HA GLY 85 -0.398 -1.797 2.409 684 H VAL 86 H VAL 86 1.279 -0.800 4.112 685 HA VAL 86 HA VAL 86 0.231 1.894 4.798 686 HB VAL 86 HB VAL 86 2.042 2.066 6.544 687 HG11 VAL 86 1HG1 VAL 86 -0.263 1.573 7.221 688 HG12 VAL 86 2HG1 VAL 86 0.881 0.742 8.277 689 HG13 VAL 86 3HG1 VAL 86 0.027 -0.158 7.020 690 HG21 VAL 86 3HG2 VAL 86 3.146 0.030 7.402 691 HG22 VAL 86 1HG2 VAL 86 3.564 0.297 5.708 692 HG23 VAL 86 2HG2 VAL 86 2.378 -0.938 6.140 693 H LEU 87 H LEU 87 1.238 3.582 3.851 694 HA LEU 87 HA LEU 87 2.969 3.137 1.639 695 HB2 LEU 87 2HB LEU 87 1.245 4.961 1.849 696 HB3 LEU 87 3HB LEU 87 2.285 5.770 3.004 697 HG LEU 87 HG LEU 87 3.975 6.187 1.263 698 HD11 LEU 87 1HD1 LEU 87 2.152 4.690 -0.652 699 HD12 LEU 87 2HD1 LEU 87 3.738 4.166 -0.088 700 HD13 LEU 87 3HD1 LEU 87 3.601 5.595 -1.109 701 HD21 LEU 87 3HD2 LEU 87 1.195 6.973 0.307 702 HD22 LEU 87 1HD2 LEU 87 2.713 7.733 -0.183 703 HD23 LEU 87 2HD2 LEU 87 2.175 7.842 1.490 704 H ILE 88 H ILE 88 5.187 3.264 1.501 705 HA ILE 88 HA ILE 88 6.712 4.065 3.913 706 HB ILE 88 HB ILE 88 8.365 2.288 3.475 707 HG12 ILE 88 2HG1 ILE 88 6.471 1.331 1.272 708 HG13 ILE 88 3HG1 ILE 88 8.055 2.050 1.017 709 HG21 ILE 88 1HG2 ILE 88 7.050 0.361 4.234 710 HG22 ILE 88 2HG2 ILE 88 5.555 1.151 3.728 711 HG23 ILE 88 3HG2 ILE 88 6.514 1.834 5.043 712 HD11 ILE 88 3HD1 ILE 88 7.460 -0.606 2.300 713 HD12 ILE 88 1HD1 ILE 88 9.069 0.112 2.169 714 HD13 ILE 88 2HD1 ILE 88 8.169 -0.316 0.713 715 H ARG 89 H ARG 89 8.920 4.586 3.539 716 HA ARG 89 HA ARG 89 9.416 5.999 0.972 717 HB2 ARG 89 2HB ARG 89 10.582 6.791 3.678 718 HB3 ARG 89 3HB ARG 89 10.517 7.747 2.204 719 HG2 ARG 89 2HG ARG 89 8.155 7.023 3.968 720 HG3 ARG 89 3HG ARG 89 8.939 8.597 3.879 721 HD2 ARG 89 2HD ARG 89 8.169 8.911 1.590 722 HD3 ARG 89 3HD ARG 89 7.524 7.263 1.543 723 HE ARG 89 HE ARG 89 6.404 8.744 3.686 724 HH11 ARG 89 1HH1 ARG 89 6.115 8.420 0.193 725 HH12 ARG 89 2HH1 ARG 89 4.470 8.959 0.169 726 HH21 ARG 89 1HH2 ARG 89 4.268 9.431 3.636 727 HH22 ARG 89 2HH2 ARG 89 3.411 9.504 2.127 728 H GLU 90 H GLU 90 10.154 3.237 2.328 729 HA GLU 90 HA GLU 90 12.874 3.173 2.967 730 HB2 GLU 90 2HB GLU 90 11.023 0.936 2.054 731 HB3 GLU 90 3HB GLU 90 12.664 0.668 2.658 732 HG2 GLU 90 2HG GLU 90 12.038 1.713 4.807 733 HG3 GLU 90 3HG GLU 90 10.392 1.944 4.210 734 H LEU 91 H LEU 91 11.363 1.874 -0.030 735 HA LEU 91 HA LEU 91 13.852 1.449 -1.342 736 HB2 LEU 91 2HB LEU 91 11.052 1.662 -2.516 737 HB3 LEU 91 3HB LEU 91 12.473 1.143 -3.410 738 HG LEU 91 HG LEU 91 11.015 -0.326 -1.197 739 HD11 LEU 91 1HD1 LEU 91 10.894 -2.137 -2.842 740 HD12 LEU 91 2HD1 LEU 91 11.775 -1.155 -4.016 741 HD13 LEU 91 3HD1 LEU 91 10.172 -0.656 -3.468 742 HD21 LEU 91 3HD2 LEU 91 13.782 -1.014 -2.253 743 HD22 LEU 91 1HD2 LEU 91 12.793 -2.052 -1.222 744 HD23 LEU 91 2HD2 LEU 91 13.385 -0.510 -0.608 745 H GLU 92 H GLU 92 14.674 2.508 -3.201 746 HA GLU 92 HA GLU 92 15.080 5.258 -2.878 747 HB2 GLU 92 2HB GLU 92 16.637 3.596 -3.979 748 HB3 GLU 92 3HB GLU 92 15.595 3.602 -5.397 749 HG2 GLU 92 2HG GLU 92 17.535 5.016 -5.762 750 HG3 GLU 92 3HG GLU 92 16.077 6.003 -5.722 751 H HIS 93 H HIS 93 13.122 3.452 -5.232 752 HA HIS 93 HA HIS 93 11.290 3.905 -6.450 753 HB2 HIS 93 2HB HIS 93 10.409 4.398 -4.129 754 HB3 HIS 93 3HB HIS 93 10.766 6.099 -4.397 755 HD1 HIS 93 HD1 HIS 93 8.497 7.152 -4.568 756 HD2 HIS 93 HD2 HIS 93 8.750 3.672 -6.822 757 HE1 HIS 93 HE1 HIS 93 6.324 6.986 -5.809 758 HE2 HIS 93 HE2 HIS 93 6.539 4.922 -7.219 759 H HIS 94 H HIS 94 13.776 5.226 -7.225 760 HA HIS 94 HA HIS 94 13.000 7.763 -8.421 761 HB2 HIS 94 2HB HIS 94 15.533 6.103 -8.514 762 HB3 HIS 94 3HB HIS 94 15.301 7.431 -9.647 763 HD1 HIS 94 HD1 HIS 94 17.325 8.644 -8.533 764 HD2 HIS 94 HD2 HIS 94 14.082 8.075 -6.007 765 HE1 HIS 94 HE1 HIS 94 17.707 10.175 -6.590 766 HE2 HIS 94 HE2 HIS 94 15.861 9.629 -4.978 767 H HIS 95 H HIS 95 11.102 6.754 -9.299 768 HA HIS 95 HA HIS 95 11.470 5.616 -12.007 769 HB2 HIS 95 2HB HIS 95 10.420 4.056 -10.276 770 HB3 HIS 95 3HB HIS 95 9.102 5.204 -10.112 771 HD1 HIS 95 HD1 HIS 95 7.364 3.491 -10.887 772 HD2 HIS 95 HD2 HIS 95 10.334 4.189 -13.703 773 HE1 HIS 95 HE1 HIS 95 6.557 2.411 -12.996 774 HE2 HIS 95 HE2 HIS 95 8.286 3.010 -14.724 775 H HIS 96 H HIS 96 11.103 8.360 -10.555 776 HA HIS 96 HA HIS 96 9.460 9.711 -12.521 777 HB2 HIS 96 2HB HIS 96 7.697 9.361 -10.941 778 HB3 HIS 96 3HB HIS 96 8.764 9.540 -9.561 779 HD1 HIS 96 HD1 HIS 96 6.935 11.607 -12.129 780 HD2 HIS 96 HD2 HIS 96 8.986 12.112 -8.553 781 HE1 HIS 96 HE1 HIS 96 6.478 13.967 -11.413 782 HE2 HIS 96 HE2 HIS 96 7.566 14.176 -9.160 783 H HIS 97 H HIS 97 10.106 11.913 -12.710 784 HA HIS 97 HA HIS 97 12.832 12.453 -12.040 785 HB2 HIS 97 2HB HIS 97 10.691 14.202 -13.316 786 HB3 HIS 97 3HB HIS 97 12.378 14.682 -13.155 787 HD1 HIS 97 HD1 HIS 97 13.861 14.079 -15.066 788 HD2 HIS 97 HD2 HIS 97 10.423 11.741 -15.050 789 HE1 HIS 97 HE1 HIS 97 13.919 12.759 -17.194 790 HE2 HIS 97 HE2 HIS 97 11.903 11.281 -17.108 791 H HIS 98 H HIS 98 13.579 13.258 -10.187 792 HA HIS 98 HA HIS 98 11.947 14.277 -8.081 793 HB2 HIS 98 2HB HIS 98 14.108 12.998 -7.764 794 HB3 HIS 98 3HB HIS 98 14.989 14.403 -8.347 795 HD1 HIS 98 HD1 HIS 98 14.492 12.832 -5.339 796 HD2 HIS 98 HD2 HIS 98 13.911 16.781 -6.463 797 HE1 HIS 98 HE1 HIS 98 14.596 14.165 -3.218 798 HE2 HIS 98 HE2 HIS 98 14.125 16.520 -3.914 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -40.718 23.097 -7.502 2 H2 GLY 1 2H GLY 1 -41.766 21.978 -8.201 3 H3 GLY 1 3H GLY 1 -41.477 23.455 -8.966 4 HA2 GLY 1 2HA GLY 1 -40.274 21.691 -10.068 5 HA3 GLY 1 3HA GLY 1 -39.190 22.871 -9.350 6 H ASP 2 H ASP 2 -37.679 22.155 -7.953 7 HA ASP 2 HA ASP 2 -37.879 19.851 -6.277 8 HB2 ASP 2 2HB ASP 2 -37.574 18.779 -8.573 9 HB3 ASP 2 3HB ASP 2 -36.014 19.572 -8.690 10 H ARG 3 H ARG 3 -35.555 19.401 -5.308 11 HA ARG 3 HA ARG 3 -34.452 21.857 -4.385 12 HB2 ARG 3 2HB ARG 3 -33.336 19.028 -4.113 13 HB3 ARG 3 3HB ARG 3 -32.761 20.436 -3.226 14 HG2 ARG 3 2HG ARG 3 -35.500 19.161 -2.999 15 HG3 ARG 3 3HG ARG 3 -34.207 19.092 -1.803 16 HD2 ARG 3 2HD ARG 3 -34.394 21.539 -1.472 17 HD3 ARG 3 3HD ARG 3 -35.690 21.602 -2.676 18 HE ARG 3 HE ARG 3 -36.396 19.726 -0.722 19 HH11 ARG 3 1HH1 ARG 3 -36.051 23.218 -0.982 20 HH12 ARG 3 2HH1 ARG 3 -37.125 23.535 0.341 21 HH21 ARG 3 1HH2 ARG 3 -37.835 20.181 0.977 22 HH22 ARG 3 2HH2 ARG 3 -38.130 21.823 1.449 23 H ARG 4 H ARG 4 -32.529 22.851 -4.822 24 HA ARG 4 HA ARG 4 -31.259 22.450 -7.403 25 HB2 ARG 4 2HB ARG 4 -30.436 24.359 -5.172 26 HB3 ARG 4 3HB ARG 4 -29.942 24.433 -6.856 27 HG2 ARG 4 2HG ARG 4 -32.716 24.964 -5.770 28 HG3 ARG 4 3HG ARG 4 -31.577 26.172 -6.354 29 HD2 ARG 4 2HD ARG 4 -33.091 25.913 -8.133 30 HD3 ARG 4 3HD ARG 4 -31.716 24.924 -8.619 31 HE ARG 4 HE ARG 4 -33.920 23.580 -7.236 32 HH11 ARG 4 1HH1 ARG 4 -32.346 24.221 -10.321 33 HH12 ARG 4 2HH1 ARG 4 -33.174 22.934 -11.137 34 HH21 ARG 4 1HH2 ARG 4 -34.999 21.926 -8.345 35 HH22 ARG 4 2HH2 ARG 4 -34.676 21.637 -10.020 36 H VAL 5 H VAL 5 -28.722 22.465 -7.428 37 HA VAL 5 HA VAL 5 -27.719 20.086 -6.260 38 HB VAL 5 HB VAL 5 -26.094 22.423 -7.405 39 HG11 VAL 5 1HG1 VAL 5 -24.315 20.740 -7.819 40 HG12 VAL 5 2HG1 VAL 5 -25.293 19.514 -7.008 41 HG13 VAL 5 3HG1 VAL 5 -24.681 20.895 -6.095 42 HG21 VAL 5 3HG2 VAL 5 -27.730 21.615 -9.050 43 HG22 VAL 5 1HG2 VAL 5 -27.172 19.952 -8.829 44 HG23 VAL 5 2HG2 VAL 5 -26.098 21.160 -9.544 45 H ARG 6 H ARG 6 -27.854 20.033 -4.042 46 HA ARG 6 HA ARG 6 -27.278 22.345 -2.410 47 HB2 ARG 6 2HB ARG 6 -28.096 21.008 -0.534 48 HB3 ARG 6 3HB ARG 6 -29.205 20.915 -1.892 49 HG2 ARG 6 2HG ARG 6 -28.312 18.654 -2.445 50 HG3 ARG 6 3HG ARG 6 -27.249 18.746 -1.036 51 HD2 ARG 6 2HD ARG 6 -29.337 19.062 0.383 52 HD3 ARG 6 3HD ARG 6 -30.285 18.683 -1.062 53 HE ARG 6 HE ARG 6 -28.668 16.552 -0.933 54 HH11 ARG 6 1HH1 ARG 6 -30.604 18.055 1.604 55 HH12 ARG 6 2HH1 ARG 6 -30.783 16.579 2.494 56 HH21 ARG 6 1HH2 ARG 6 -28.934 14.621 0.310 57 HH22 ARG 6 2HH2 ARG 6 -29.851 14.666 1.781 58 H LEU 7 H LEU 7 -25.821 22.392 -0.662 59 HA LEU 7 HA LEU 7 -23.244 21.192 -1.219 60 HB2 LEU 7 2HB LEU 7 -24.170 23.210 0.859 61 HB3 LEU 7 3HB LEU 7 -22.536 22.583 0.822 62 HG LEU 7 HG LEU 7 -22.498 24.752 -0.246 63 HD11 LEU 7 1HD1 LEU 7 -21.033 23.080 -1.272 64 HD12 LEU 7 2HD1 LEU 7 -21.602 24.243 -2.469 65 HD13 LEU 7 3HD1 LEU 7 -22.311 22.629 -2.405 66 HD21 LEU 7 3HD2 LEU 7 -23.844 25.353 -2.217 67 HD22 LEU 7 1HD2 LEU 7 -24.879 24.984 -0.836 68 HD23 LEU 7 2HD2 LEU 7 -24.689 23.804 -2.135 69 H ILE 8 H ILE 8 -25.949 20.253 0.606 70 HA ILE 8 HA ILE 8 -24.633 18.675 2.593 71 HB ILE 8 HB ILE 8 -27.380 18.205 1.347 72 HG12 ILE 8 2HG1 ILE 8 -26.677 19.740 3.898 73 HG13 ILE 8 3HG1 ILE 8 -27.151 20.485 2.377 74 HG21 ILE 8 1HG2 ILE 8 -26.530 16.209 2.526 75 HG22 ILE 8 2HG2 ILE 8 -27.873 16.920 3.418 76 HG23 ILE 8 3HG2 ILE 8 -26.216 17.172 3.971 77 HD11 ILE 8 3HD1 ILE 8 -28.980 20.458 3.947 78 HD12 ILE 8 1HD1 ILE 8 -28.870 18.704 4.093 79 HD13 ILE 8 2HD1 ILE 8 -29.351 19.437 2.560 80 H ARG 9 H ARG 9 -23.034 17.477 1.774 81 HA ARG 9 HA ARG 9 -23.491 15.675 -0.527 82 HB2 ARG 9 2HB ARG 9 -20.913 15.636 -0.595 83 HB3 ARG 9 3HB ARG 9 -21.698 17.139 -1.050 84 HG2 ARG 9 2HG ARG 9 -19.833 17.772 0.264 85 HG3 ARG 9 3HG ARG 9 -21.235 17.974 1.311 86 HD2 ARG 9 2HD ARG 9 -20.673 15.671 2.277 87 HD3 ARG 9 3HD ARG 9 -19.151 15.770 1.388 88 HE ARG 9 HE ARG 9 -19.096 18.070 2.752 89 HH11 ARG 9 1HH1 ARG 9 -19.766 14.803 3.861 90 HH12 ARG 9 2HH1 ARG 9 -19.207 15.104 5.475 91 HH21 ARG 9 1HH2 ARG 9 -18.364 18.445 4.906 92 HH22 ARG 9 2HH2 ARG 9 -18.439 17.156 6.065 93 H THR 10 H THR 10 -23.487 15.605 2.795 94 HA THR 10 HA THR 10 -21.808 13.423 3.441 95 HB THR 10 HB THR 10 -24.192 14.488 5.016 96 HG1 THR 10 HG1 THR 10 -22.306 15.635 6.095 97 HG21 THR 10 3HG2 THR 10 -22.950 13.670 6.994 98 HG22 THR 10 1HG2 THR 10 -21.710 12.993 5.940 99 HG23 THR 10 2HG2 THR 10 -23.353 12.343 5.899 100 H ARG 11 H ARG 11 -22.253 11.760 2.043 101 HA ARG 11 HA ARG 11 -24.122 9.776 2.825 102 HB2 ARG 11 2HB ARG 11 -25.769 11.067 1.528 103 HB3 ARG 11 3HB ARG 11 -24.676 11.182 0.161 104 HG2 ARG 11 2HG ARG 11 -26.475 9.545 -0.243 105 HG3 ARG 11 3HG ARG 11 -24.884 8.787 -0.276 106 HD2 ARG 11 2HD ARG 11 -25.253 7.980 2.054 107 HD3 ARG 11 3HD ARG 11 -26.875 8.683 2.019 108 HE ARG 11 HE ARG 11 -27.063 7.130 -0.082 109 HH11 ARG 11 1HH1 ARG 11 -25.551 6.284 2.992 110 HH12 ARG 11 2HH1 ARG 11 -25.887 4.592 2.811 111 HH21 ARG 11 1HH2 ARG 11 -27.509 4.904 -0.278 112 HH22 ARG 11 2HH2 ARG 11 -27.001 3.804 0.970 113 H GLY 12 H GLY 12 -22.596 8.230 2.801 114 HA2 GLY 12 2HA GLY 12 -21.481 6.612 1.228 115 HA3 GLY 12 3HA GLY 12 -20.681 8.019 0.529 116 H GLY 13 H GLY 13 -18.923 6.328 1.254 117 HA2 GLY 13 2HA GLY 13 -17.174 7.412 3.036 118 HA3 GLY 13 3HA GLY 13 -18.164 6.359 4.046 119 H ASN 14 H ASN 14 -16.895 4.657 4.488 120 HA ASN 14 HA ASN 14 -15.195 3.420 2.458 121 HB2 ASN 14 2HB ASN 14 -14.414 3.590 4.827 122 HB3 ASN 14 3HB ASN 14 -15.735 2.545 5.336 123 HD21 ASN 14 1HD2 ASN 14 -14.354 0.964 6.149 124 HD22 ASN 14 2HD2 ASN 14 -13.359 -0.039 5.155 125 H THR 15 H THR 15 -17.101 3.095 1.092 126 HA THR 15 HA THR 15 -18.205 0.380 1.489 127 HB THR 15 HB THR 15 -19.805 2.785 0.477 128 HG1 THR 15 HG1 THR 15 -19.446 1.835 2.961 129 HG21 THR 15 3HG2 THR 15 -20.456 0.727 -0.741 130 HG22 THR 15 1HG2 THR 15 -21.740 1.240 0.356 131 HG23 THR 15 2HG2 THR 15 -20.696 -0.112 0.792 132 H LYS 16 H LYS 16 -17.229 -0.748 -0.072 133 HA LYS 16 HA LYS 16 -17.666 -0.176 -2.835 134 HB2 LYS 16 2HB LYS 16 -15.364 0.007 -3.624 135 HB3 LYS 16 3HB LYS 16 -15.673 1.307 -2.487 136 HG2 LYS 16 2HG LYS 16 -14.224 -1.247 -1.723 137 HG3 LYS 16 3HG LYS 16 -13.391 0.172 -2.339 138 HD2 LYS 16 2HD LYS 16 -15.160 0.328 0.122 139 HD3 LYS 16 3HD LYS 16 -13.482 -0.196 0.232 140 HE2 LYS 16 2HE LYS 16 -13.803 2.216 0.769 141 HE3 LYS 16 3HE LYS 16 -12.702 1.953 -0.582 142 HZ1 LYS 16 3HZ LYS 16 -14.318 3.782 -0.900 143 HZ2 LYS 16 1HZ LYS 16 -15.570 2.648 -0.899 144 HZ3 LYS 16 2HZ LYS 16 -14.392 2.602 -2.105 145 H VAL 17 H VAL 17 -17.099 -1.957 -4.172 146 HA VAL 17 HA VAL 17 -16.722 -4.538 -2.986 147 HB VAL 17 HB VAL 17 -17.869 -4.263 -5.177 148 HG11 VAL 17 1HG1 VAL 17 -16.568 -2.395 -6.105 149 HG12 VAL 17 2HG1 VAL 17 -16.650 -3.734 -7.249 150 HG13 VAL 17 3HG1 VAL 17 -15.172 -3.455 -6.326 151 HG21 VAL 17 3HG2 VAL 17 -16.884 -6.464 -4.694 152 HG22 VAL 17 1HG2 VAL 17 -15.348 -5.961 -5.408 153 HG23 VAL 17 2HG2 VAL 17 -16.786 -6.122 -6.422 154 H ARG 18 H ARG 18 -14.775 -5.736 -2.834 155 HA ARG 18 HA ARG 18 -12.287 -4.352 -2.664 156 HB2 ARG 18 2HB ARG 18 -11.291 -6.432 -2.043 157 HB3 ARG 18 3HB ARG 18 -12.912 -6.462 -1.372 158 HG2 ARG 18 2HG ARG 18 -12.004 -7.918 -3.875 159 HG3 ARG 18 3HG ARG 18 -12.218 -8.648 -2.286 160 HD2 ARG 18 2HD ARG 18 -14.392 -7.465 -4.045 161 HD3 ARG 18 3HD ARG 18 -14.115 -9.178 -3.722 162 HE ARG 18 HE ARG 18 -14.547 -7.726 -1.305 163 HH11 ARG 18 1HH1 ARG 18 -16.310 -9.139 -4.020 164 HH12 ARG 18 2HH1 ARG 18 -17.791 -9.281 -3.130 165 HH21 ARG 18 1HH2 ARG 18 -16.498 -7.945 -0.167 166 HH22 ARG 18 2HH2 ARG 18 -17.894 -8.616 -0.950 167 H LEU 19 H LEU 19 -10.287 -5.317 -3.863 168 HA LEU 19 HA LEU 19 -10.298 -4.738 -6.557 169 HB2 LEU 19 2HB LEU 19 -8.100 -5.712 -6.715 170 HB3 LEU 19 3HB LEU 19 -8.244 -4.853 -5.198 171 HG LEU 19 HG LEU 19 -8.337 -7.892 -5.482 172 HD11 LEU 19 1HD1 LEU 19 -6.122 -7.030 -6.041 173 HD12 LEU 19 2HD1 LEU 19 -6.097 -7.926 -4.526 174 HD13 LEU 19 3HD1 LEU 19 -6.056 -6.161 -4.506 175 HD21 LEU 19 3HD2 LEU 19 -8.182 -6.202 -2.968 176 HD22 LEU 19 1HD2 LEU 19 -8.118 -7.967 -3.046 177 HD23 LEU 19 2HD2 LEU 19 -9.585 -7.118 -3.524 178 H ALA 20 H ALA 20 -11.642 -5.630 -7.970 179 HA ALA 20 HA ALA 20 -11.789 -8.564 -8.329 180 HB1 ALA 20 3HB ALA 20 -13.752 -7.861 -7.003 181 HB2 ALA 20 1HB ALA 20 -14.233 -8.414 -8.606 182 HB3 ALA 20 2HB ALA 20 -14.185 -6.685 -8.244 183 H SER 21 H SER 21 -12.901 -5.461 -9.631 184 HA SER 21 HA SER 21 -12.894 -6.128 -12.362 185 HB2 SER 21 2HB SER 21 -12.859 -3.608 -12.670 186 HB3 SER 21 3HB SER 21 -14.108 -4.180 -11.568 187 HG SER 21 HG SER 21 -11.955 -2.570 -11.096 188 H ASP 22 H ASP 22 -10.407 -4.726 -10.250 189 HA ASP 22 HA ASP 22 -8.235 -5.690 -11.887 190 HB2 ASP 22 2HB ASP 22 -7.164 -3.503 -12.241 191 HB3 ASP 22 3HB ASP 22 -8.756 -3.516 -12.994 192 H THR 23 H THR 23 -6.200 -5.559 -10.751 193 HA THR 23 HA THR 23 -6.508 -5.995 -7.928 194 HB THR 23 HB THR 23 -4.011 -6.042 -9.674 195 HG1 THR 23 HG1 THR 23 -6.055 -7.643 -9.695 196 HG21 THR 23 3HG2 THR 23 -2.980 -7.409 -7.892 197 HG22 THR 23 1HG2 THR 23 -4.414 -7.199 -6.883 198 HG23 THR 23 2HG2 THR 23 -3.399 -5.810 -7.276 199 H ARG 24 H ARG 24 -6.706 -4.325 -6.660 200 HA ARG 24 HA ARG 24 -4.731 -2.117 -6.642 201 HB2 ARG 24 2HB ARG 24 -7.746 -2.077 -6.290 202 HB3 ARG 24 3HB ARG 24 -6.766 -0.847 -5.493 203 HG2 ARG 24 2HG ARG 24 -5.939 -0.021 -7.598 204 HG3 ARG 24 3HG ARG 24 -6.646 -1.374 -8.478 205 HD2 ARG 24 2HD ARG 24 -8.321 0.636 -6.943 206 HD3 ARG 24 3HD ARG 24 -7.888 0.844 -8.642 207 HE ARG 24 HE ARG 24 -8.984 -1.356 -9.030 208 HH11 ARG 24 1HH1 ARG 24 -10.038 0.585 -6.303 209 HH12 ARG 24 2HH1 ARG 24 -11.637 -0.076 -6.318 210 HH21 ARG 24 1HH2 ARG 24 -11.063 -2.183 -9.055 211 HH22 ARG 24 2HH2 ARG 24 -12.226 -1.654 -7.872 212 H ILE 25 H ILE 25 -4.723 -1.019 -4.490 213 HA ILE 25 HA ILE 25 -4.943 -2.837 -2.189 214 HB ILE 25 HB ILE 25 -2.623 -3.055 -2.890 215 HG12 ILE 25 2HG1 ILE 25 -2.680 -1.151 -0.500 216 HG13 ILE 25 3HG1 ILE 25 -3.049 -2.867 -0.413 217 HG21 ILE 25 1HG2 ILE 25 -1.060 -1.142 -3.112 218 HG22 ILE 25 2HG2 ILE 25 -2.398 -0.022 -2.862 219 HG23 ILE 25 3HG2 ILE 25 -2.373 -1.060 -4.289 220 HD11 ILE 25 3HD1 ILE 25 -0.809 -2.405 0.372 221 HD12 ILE 25 1HD1 ILE 25 -0.382 -1.682 -1.178 222 HD13 ILE 25 2HD1 ILE 25 -0.764 -3.404 -1.079 223 H ASN 26 H ASN 26 -5.622 -1.798 -0.356 224 HA ASN 26 HA ASN 26 -6.336 1.048 -0.544 225 HB2 ASN 26 2HB ASN 26 -7.007 -1.000 1.616 226 HB3 ASN 26 3HB ASN 26 -7.663 0.631 1.500 227 HD21 ASN 26 1HD2 ASN 26 -9.046 -1.955 1.519 228 HD22 ASN 26 2HD2 ASN 26 -9.973 -2.009 0.066 229 H VAL 27 H VAL 27 -4.653 2.337 -0.061 230 HA VAL 27 HA VAL 27 -2.517 1.437 1.755 231 HB VAL 27 HB VAL 27 -2.523 3.685 -0.316 232 HG11 VAL 27 1HG1 VAL 27 -0.893 4.125 1.465 233 HG12 VAL 27 2HG1 VAL 27 -0.058 3.705 -0.031 234 HG13 VAL 27 3HG1 VAL 27 -0.202 2.514 1.267 235 HG21 VAL 27 3HG2 VAL 27 -2.738 1.487 -1.385 236 HG22 VAL 27 1HG2 VAL 27 -1.328 0.897 -0.498 237 HG23 VAL 27 2HG2 VAL 27 -1.143 2.174 -1.706 238 H VAL 28 H VAL 28 -1.978 2.565 3.553 239 HA VAL 28 HA VAL 28 -3.504 5.008 4.273 240 HB VAL 28 HB VAL 28 -2.550 2.843 6.224 241 HG11 VAL 28 1HG1 VAL 28 -4.016 3.968 7.861 242 HG12 VAL 28 2HG1 VAL 28 -4.440 5.190 6.660 243 HG13 VAL 28 3HG1 VAL 28 -2.778 5.067 7.245 244 HG21 VAL 28 3HG2 VAL 28 -4.890 2.090 6.428 245 HG22 VAL 28 1HG2 VAL 28 -4.277 1.853 4.790 246 HG23 VAL 28 2HG2 VAL 28 -5.369 3.197 5.138 247 H ASP 29 H ASP 29 -2.089 6.709 4.444 248 HA ASP 29 HA ASP 29 0.725 6.498 4.749 249 HB2 ASP 29 2HB ASP 29 -1.108 8.839 5.487 250 HB3 ASP 29 3HB ASP 29 0.651 8.922 5.455 251 HA PRO 30 HA PRO 30 0.608 5.386 9.168 252 HB2 PRO 30 2HB PRO 30 3.315 5.415 9.672 253 HB3 PRO 30 3HB PRO 30 2.501 4.084 8.839 254 HG2 PRO 30 2HG PRO 30 4.030 6.401 7.661 255 HG3 PRO 30 3HG PRO 30 4.098 4.682 7.216 256 HD2 PRO 30 2HD PRO 30 2.662 6.489 5.772 257 HD3 PRO 30 3HD PRO 30 2.133 4.802 5.953 258 H GLU 31 H GLU 31 1.928 8.270 7.819 259 HA GLU 31 HA GLU 31 2.484 9.614 10.348 260 HB2 GLU 31 2HB GLU 31 3.230 11.495 8.823 261 HB3 GLU 31 3HB GLU 31 4.081 9.972 8.594 262 HG2 GLU 31 2HG GLU 31 2.666 9.487 6.611 263 HG3 GLU 31 3HG GLU 31 1.856 11.038 6.822 264 H THR 32 H THR 32 0.271 10.121 7.566 265 HA THR 32 HA THR 32 -1.157 12.238 9.032 266 HB THR 32 HB THR 32 -2.214 12.746 6.823 267 HG1 THR 32 HG1 THR 32 -0.952 11.562 5.020 268 HG21 THR 32 3HG2 THR 32 -0.121 13.904 7.410 269 HG22 THR 32 1HG2 THR 32 -0.201 13.601 5.675 270 HG23 THR 32 2HG2 THR 32 0.824 12.594 6.700 271 H GLY 33 H GLY 33 -1.555 8.946 8.039 272 HA2 GLY 33 2HA GLY 33 -3.157 7.413 8.704 273 HA3 GLY 33 3HA GLY 33 -4.116 8.714 9.390 274 H LYS 34 H LYS 34 -3.229 9.423 6.194 275 HA LYS 34 HA LYS 34 -5.972 9.369 5.347 276 HB2 LYS 34 2HB LYS 34 -3.449 10.014 3.762 277 HB3 LYS 34 3HB LYS 34 -5.094 10.318 3.213 278 HG2 LYS 34 2HG LYS 34 -3.707 11.625 5.563 279 HG3 LYS 34 3HG LYS 34 -4.066 12.372 4.003 280 HD2 LYS 34 2HD LYS 34 -6.517 12.089 4.476 281 HD3 LYS 34 3HD LYS 34 -6.106 11.423 6.061 282 HE2 LYS 34 2HE LYS 34 -4.994 13.565 6.647 283 HE3 LYS 34 3HE LYS 34 -5.477 14.227 5.083 284 HZ1 LYS 34 3HZ LYS 34 -7.013 14.920 6.774 285 HZ2 LYS 34 1HZ LYS 34 -7.290 13.319 7.248 286 HZ3 LYS 34 2HZ LYS 34 -7.801 13.851 5.731 287 H VAL 35 H VAL 35 -7.010 7.745 4.401 288 HA VAL 35 HA VAL 35 -5.582 5.476 3.196 289 HB VAL 35 HB VAL 35 -8.591 5.753 3.695 290 HG11 VAL 35 1HG1 VAL 35 -8.610 3.278 3.519 291 HG12 VAL 35 2HG1 VAL 35 -6.881 3.289 3.158 292 HG13 VAL 35 3HG1 VAL 35 -8.022 4.031 2.032 293 HG21 VAL 35 3HG2 VAL 35 -8.268 4.404 5.748 294 HG22 VAL 35 1HG2 VAL 35 -7.417 5.950 5.847 295 HG23 VAL 35 2HG2 VAL 35 -6.519 4.468 5.516 296 H GLU 36 H GLU 36 -5.429 5.283 1.047 297 HA GLU 36 HA GLU 36 -7.437 6.397 -0.777 298 HB2 GLU 36 2HB GLU 36 -5.583 8.043 -0.684 299 HB3 GLU 36 3HB GLU 36 -4.424 6.770 -1.035 300 HG2 GLU 36 2HG GLU 36 -4.865 8.152 -3.013 301 HG3 GLU 36 3HG GLU 36 -5.359 6.478 -3.274 302 H ILE 37 H ILE 37 -7.919 4.981 -2.392 303 HA ILE 37 HA ILE 37 -6.791 2.301 -2.296 304 HB ILE 37 HB ILE 37 -8.875 3.398 -4.248 305 HG12 ILE 37 2HG1 ILE 37 -9.402 1.946 -1.604 306 HG13 ILE 37 3HG1 ILE 37 -9.623 3.673 -1.852 307 HG21 ILE 37 1HG2 ILE 37 -8.225 0.525 -3.450 308 HG22 ILE 37 2HG2 ILE 37 -7.824 1.289 -4.990 309 HG23 ILE 37 3HG2 ILE 37 -9.512 1.014 -4.560 310 HD11 ILE 37 3HD1 ILE 37 -11.733 2.536 -1.949 311 HD12 ILE 37 1HD1 ILE 37 -11.147 1.473 -3.229 312 HD13 ILE 37 2HD1 ILE 37 -11.339 3.200 -3.532 313 H ALA 38 H ALA 38 -4.748 2.333 -3.085 314 HA ALA 38 HA ALA 38 -3.991 3.749 -5.520 315 HB1 ALA 38 3HB ALA 38 -2.471 3.681 -3.575 316 HB2 ALA 38 1HB ALA 38 -1.731 2.979 -5.012 317 HB3 ALA 38 2HB ALA 38 -2.347 1.931 -3.729 318 H GLU 39 H GLU 39 -2.901 2.628 -7.266 319 HA GLU 39 HA GLU 39 -4.142 0.020 -7.916 320 HB2 GLU 39 2HB GLU 39 -2.789 2.033 -9.764 321 HB3 GLU 39 3HB GLU 39 -3.702 0.608 -10.253 322 HG2 GLU 39 2HG GLU 39 -5.765 1.604 -9.325 323 HG3 GLU 39 3HG GLU 39 -4.856 3.030 -8.826 324 H ILE 40 H ILE 40 -2.844 -1.787 -7.950 325 HA ILE 40 HA ILE 40 -0.020 -1.519 -7.344 326 HB ILE 40 HB ILE 40 -1.643 -4.046 -7.936 327 HG12 ILE 40 2HG1 ILE 40 -0.817 -2.791 -5.272 328 HG13 ILE 40 3HG1 ILE 40 -2.449 -2.821 -5.927 329 HG21 ILE 40 1HG2 ILE 40 0.257 -5.276 -6.885 330 HG22 ILE 40 2HG2 ILE 40 1.158 -3.764 -6.757 331 HG23 ILE 40 3HG2 ILE 40 0.765 -4.424 -8.345 332 HD11 ILE 40 3HD1 ILE 40 -0.844 -5.206 -5.034 333 HD12 ILE 40 1HD1 ILE 40 -2.473 -5.257 -5.714 334 HD13 ILE 40 2HD1 ILE 40 -2.184 -4.444 -4.177 335 H ARG 41 H ARG 41 1.252 -0.908 -8.926 336 HA ARG 41 HA ARG 41 0.810 -1.438 -11.739 337 HB2 ARG 41 2HB ARG 41 3.029 0.018 -10.240 338 HB3 ARG 41 3HB ARG 41 2.913 -0.064 -11.998 339 HG2 ARG 41 2HG ARG 41 0.758 1.133 -11.917 340 HG3 ARG 41 3HG ARG 41 0.865 1.210 -10.153 341 HD2 ARG 41 2HD ARG 41 2.765 2.671 -10.253 342 HD3 ARG 41 3HD ARG 41 2.969 2.409 -11.987 343 HE ARG 41 HE ARG 41 0.630 3.793 -10.816 344 HH11 ARG 41 1HH1 ARG 41 3.137 3.630 -13.265 345 HH12 ARG 41 2HH1 ARG 41 2.498 4.950 -14.187 346 HH21 ARG 41 1HH2 ARG 41 -0.213 5.517 -12.052 347 HH22 ARG 41 2HH2 ARG 41 0.595 6.007 -13.506 348 H ASN 42 H ASN 42 3.368 -2.179 -9.360 349 HA ASN 42 HA ASN 42 4.060 -4.648 -10.773 350 HB2 ASN 42 2HB ASN 42 5.479 -2.804 -11.789 351 HB3 ASN 42 3HB ASN 42 6.183 -2.531 -10.200 352 HD21 ASN 42 1HD2 ASN 42 8.213 -2.979 -11.214 353 HD22 ASN 42 2HD2 ASN 42 8.720 -4.602 -11.513 354 H VAL 43 H VAL 43 5.532 -6.005 -9.455 355 HA VAL 43 HA VAL 43 5.058 -5.600 -6.552 356 HB VAL 43 HB VAL 43 4.913 -8.108 -6.436 357 HG11 VAL 43 1HG1 VAL 43 2.937 -6.836 -8.373 358 HG12 VAL 43 2HG1 VAL 43 2.843 -6.782 -6.611 359 HG13 VAL 43 3HG1 VAL 43 2.669 -8.323 -7.453 360 HG21 VAL 43 3HG2 VAL 43 5.042 -7.972 -9.480 361 HG22 VAL 43 1HG2 VAL 43 4.682 -9.418 -8.529 362 HG23 VAL 43 2HG2 VAL 43 6.273 -8.665 -8.419 363 H VAL 44 H VAL 44 7.501 -4.828 -8.140 364 HA VAL 44 HA VAL 44 9.634 -6.534 -7.315 365 HB VAL 44 HB VAL 44 11.107 -4.424 -7.669 366 HG11 VAL 44 1HG1 VAL 44 10.936 -6.201 -9.344 367 HG12 VAL 44 2HG1 VAL 44 11.004 -4.625 -10.132 368 HG13 VAL 44 3HG1 VAL 44 9.465 -5.483 -10.004 369 HG21 VAL 44 3HG2 VAL 44 10.113 -2.581 -8.997 370 HG22 VAL 44 1HG2 VAL 44 9.369 -2.685 -7.400 371 HG23 VAL 44 2HG2 VAL 44 8.510 -3.303 -8.814 372 H GLU 45 H GLU 45 9.356 -7.064 -5.227 373 HA GLU 45 HA GLU 45 9.004 -5.319 -3.020 374 HB2 GLU 45 2HB GLU 45 10.134 -8.141 -3.153 375 HB3 GLU 45 3HB GLU 45 9.598 -7.339 -1.677 376 HG2 GLU 45 2HG GLU 45 7.297 -7.298 -2.472 377 HG3 GLU 45 3HG GLU 45 7.785 -7.927 -4.044 378 H ASN 46 H ASN 46 11.781 -6.662 -4.652 379 HA ASN 46 HA ASN 46 13.623 -4.897 -3.175 380 HB2 ASN 46 2HB ASN 46 13.858 -7.204 -2.263 381 HB3 ASN 46 3HB ASN 46 14.102 -7.828 -3.890 382 HD21 ASN 46 1HD2 ASN 46 16.117 -8.659 -3.500 383 HD22 ASN 46 2HD2 ASN 46 17.509 -7.686 -3.168 384 H THR 47 H THR 47 14.474 -3.544 -4.687 385 HA THR 47 HA THR 47 14.464 -4.220 -7.516 386 HB THR 47 HB THR 47 15.445 -1.920 -7.820 387 HG1 THR 47 HG1 THR 47 16.104 -0.805 -6.137 388 HG21 THR 47 3HG2 THR 47 12.950 -2.027 -6.076 389 HG22 THR 47 1HG2 THR 47 12.990 -2.216 -7.832 390 HG23 THR 47 2HG2 THR 47 13.437 -0.676 -7.099 391 H ALA 48 H ALA 48 16.686 -4.540 -4.915 392 HA ALA 48 HA ALA 48 19.163 -4.499 -6.322 393 HB1 ALA 48 3HB ALA 48 19.032 -4.285 -3.869 394 HB2 ALA 48 1HB ALA 48 20.078 -5.631 -4.324 395 HB3 ALA 48 2HB ALA 48 18.437 -5.941 -3.747 396 H ASN 49 H ASN 49 16.887 -7.089 -5.442 397 HA ASN 49 HA ASN 49 17.426 -8.579 -7.798 398 HB2 ASN 49 2HB ASN 49 18.144 -10.734 -6.660 399 HB3 ASN 49 3HB ASN 49 19.368 -9.472 -6.664 400 HD21 ASN 49 1HD2 ASN 49 19.816 -8.372 -4.673 401 HD22 ASN 49 2HD2 ASN 49 19.451 -9.110 -3.153 402 HA PRO 50 HA PRO 50 13.134 -9.240 -6.252 403 HB2 PRO 50 2HB PRO 50 11.913 -9.025 -8.690 404 HB3 PRO 50 3HB PRO 50 12.313 -7.618 -7.696 405 HG2 PRO 50 2HG PRO 50 13.766 -8.731 -10.081 406 HG3 PRO 50 3HG PRO 50 13.465 -7.036 -9.643 407 HD2 PRO 50 2HD PRO 50 15.869 -8.328 -9.193 408 HD3 PRO 50 3HD PRO 50 15.298 -6.952 -8.227 409 H HIS 51 H HIS 51 12.850 -11.336 -5.798 410 HA HIS 51 HA HIS 51 13.828 -13.495 -7.442 411 HB2 HIS 51 2HB HIS 51 12.072 -13.532 -4.944 412 HB3 HIS 51 3HB HIS 51 12.770 -14.963 -5.702 413 HD1 HIS 51 HD1 HIS 51 13.447 -12.578 -3.102 414 HD2 HIS 51 HD2 HIS 51 15.773 -14.755 -5.773 415 HE1 HIS 51 HE1 HIS 51 15.771 -12.563 -2.156 416 HE2 HIS 51 HE2 HIS 51 17.174 -13.833 -3.805 417 H PHE 52 H PHE 52 12.834 -13.457 -9.396 418 HA PHE 52 HA PHE 52 9.973 -13.142 -9.691 419 HB2 PHE 52 2HB PHE 52 11.593 -12.126 -11.298 420 HB3 PHE 52 3HB PHE 52 12.094 -13.739 -11.793 421 HD1 PHE 52 HD1 PHE 52 8.839 -11.890 -11.361 422 HD2 PHE 52 HD2 PHE 52 11.220 -14.392 -13.886 423 HE1 PHE 52 HE1 PHE 52 7.064 -11.873 -13.062 424 HE2 PHE 52 HE2 PHE 52 9.440 -14.367 -15.580 425 HZ PHE 52 HZ PHE 52 7.359 -13.111 -15.168 426 H VAL 53 H VAL 53 9.633 -15.033 -8.275 427 HA VAL 53 HA VAL 53 9.309 -17.532 -9.843 428 HB VAL 53 HB VAL 53 8.919 -17.226 -6.818 429 HG11 VAL 53 1HG1 VAL 53 9.267 -19.675 -6.759 430 HG12 VAL 53 2HG1 VAL 53 9.450 -19.694 -8.517 431 HG13 VAL 53 3HG1 VAL 53 7.906 -19.236 -7.794 432 HG21 VAL 53 3HG2 VAL 53 11.512 -18.055 -8.184 433 HG22 VAL 53 1HG2 VAL 53 11.193 -18.108 -6.446 434 HG23 VAL 53 2HG2 VAL 53 11.239 -16.558 -7.290 435 H ARG 54 H ARG 54 7.838 -14.715 -8.894 436 HA ARG 54 HA ARG 54 5.117 -15.565 -9.359 437 HB2 ARG 54 2HB ARG 54 4.482 -14.264 -7.115 438 HB3 ARG 54 3HB ARG 54 4.925 -15.964 -7.064 439 HG2 ARG 54 2HG ARG 54 6.000 -14.882 -5.217 440 HG3 ARG 54 3HG ARG 54 7.256 -15.284 -6.387 441 HD2 ARG 54 2HD ARG 54 7.682 -13.076 -5.475 442 HD3 ARG 54 3HD ARG 54 7.217 -12.909 -7.172 443 HE ARG 54 HE ARG 54 4.951 -12.683 -5.482 444 HH11 ARG 54 1HH1 ARG 54 7.739 -10.808 -6.558 445 HH12 ARG 54 2HH1 ARG 54 6.995 -9.288 -6.198 446 HH21 ARG 54 1HH2 ARG 54 4.008 -10.699 -5.017 447 HH22 ARG 54 2HH2 ARG 54 4.870 -9.229 -5.327 448 H ARG 55 H ARG 55 3.651 -13.626 -9.454 449 HA ARG 55 HA ARG 55 4.885 -11.014 -9.830 450 HB2 ARG 55 2HB ARG 55 3.890 -10.775 -12.170 451 HB3 ARG 55 3HB ARG 55 5.305 -11.813 -12.046 452 HG2 ARG 55 2HG ARG 55 3.945 -13.809 -12.215 453 HG3 ARG 55 3HG ARG 55 2.462 -12.864 -12.095 454 HD2 ARG 55 2HD ARG 55 4.451 -12.632 -14.376 455 HD3 ARG 55 3HD ARG 55 2.995 -13.635 -14.418 456 HE ARG 55 HE ARG 55 2.214 -11.042 -13.716 457 HH11 ARG 55 1HH1 ARG 55 3.626 -12.635 -16.523 458 HH12 ARG 55 2HH1 ARG 55 2.850 -11.586 -17.663 459 HH21 ARG 55 1HH2 ARG 55 1.222 -9.654 -15.230 460 HH22 ARG 55 2HH2 ARG 55 1.498 -9.901 -16.926 461 H ASN 56 H ASN 56 1.883 -12.914 -10.330 462 HA ASN 56 HA ASN 56 0.260 -10.628 -9.416 463 HB2 ASN 56 2HB ASN 56 -0.527 -13.303 -10.654 464 HB3 ASN 56 3HB ASN 56 -1.683 -12.091 -10.114 465 HD21 ASN 56 1HD2 ASN 56 -2.553 -11.806 -12.180 466 HD22 ASN 56 2HD2 ASN 56 -1.702 -11.013 -13.460 467 H ILE 57 H ILE 57 1.803 -13.314 -8.121 468 HA ILE 57 HA ILE 57 -0.056 -13.719 -5.897 469 HB ILE 57 HB ILE 57 2.655 -14.986 -6.501 470 HG12 ILE 57 2HG1 ILE 57 -0.163 -16.148 -6.577 471 HG13 ILE 57 3HG1 ILE 57 0.811 -15.734 -7.978 472 HG21 ILE 57 1HG2 ILE 57 2.250 -16.512 -4.589 473 HG22 ILE 57 2HG2 ILE 57 0.795 -15.608 -4.170 474 HG23 ILE 57 3HG2 ILE 57 2.378 -14.835 -4.054 475 HD11 ILE 57 3HD1 ILE 57 0.786 -18.107 -7.618 476 HD12 ILE 57 1HD1 ILE 57 1.400 -17.907 -5.978 477 HD13 ILE 57 2HD1 ILE 57 2.412 -17.482 -7.361 478 H ILE 58 H ILE 58 -0.043 -12.204 -4.391 479 HA ILE 58 HA ILE 58 2.468 -10.863 -3.541 480 HB ILE 58 HB ILE 58 -0.413 -9.815 -3.436 481 HG12 ILE 58 2HG1 ILE 58 1.936 -8.883 -5.163 482 HG13 ILE 58 3HG1 ILE 58 0.566 -9.816 -5.738 483 HG21 ILE 58 1HG2 ILE 58 0.885 -8.986 -1.512 484 HG22 ILE 58 2HG2 ILE 58 0.568 -7.672 -2.645 485 HG23 ILE 58 3HG2 ILE 58 2.163 -8.422 -2.595 486 HD11 ILE 58 3HD1 ILE 58 -0.918 -7.945 -5.219 487 HD12 ILE 58 1HD1 ILE 58 0.354 -7.508 -6.359 488 HD13 ILE 58 2HD1 ILE 58 0.476 -7.006 -4.674 489 H THR 59 H THR 59 2.905 -10.880 -1.360 490 HA THR 59 HA THR 59 1.039 -12.202 0.522 491 HB THR 59 HB THR 59 3.119 -13.137 1.672 492 HG1 THR 59 HG1 THR 59 4.343 -12.240 -0.757 493 HG21 THR 59 3HG2 THR 59 1.728 -14.603 0.239 494 HG22 THR 59 1HG2 THR 59 3.435 -15.037 0.122 495 HG23 THR 59 2HG2 THR 59 2.666 -14.124 -1.176 496 H ARG 60 H ARG 60 1.873 -11.706 2.871 497 HA ARG 60 HA ARG 60 1.803 -8.868 3.212 498 HB2 ARG 60 2HB ARG 60 0.744 -10.544 4.786 499 HB3 ARG 60 3HB ARG 60 2.360 -10.981 5.341 500 HG2 ARG 60 2HG ARG 60 2.707 -8.625 6.080 501 HG3 ARG 60 3HG ARG 60 1.055 -8.247 5.587 502 HD2 ARG 60 2HD ARG 60 1.071 -8.588 7.958 503 HD3 ARG 60 3HD ARG 60 0.254 -9.975 7.227 504 HE ARG 60 HE ARG 60 2.961 -10.626 7.493 505 HH11 ARG 60 1HH1 ARG 60 0.234 -9.971 9.604 506 HH12 ARG 60 2HH1 ARG 60 0.862 -10.915 10.914 507 HH21 ARG 60 1HH2 ARG 60 3.774 -11.876 9.243 508 HH22 ARG 60 2HH2 ARG 60 2.840 -11.999 10.702 509 H GLY 61 H GLY 61 3.404 -7.493 3.852 510 HA2 GLY 61 2HA GLY 61 5.519 -6.772 4.544 511 HA3 GLY 61 3HA GLY 61 6.161 -8.383 4.253 512 H ALA 62 H ALA 62 4.398 -7.899 1.585 513 HA ALA 62 HA ALA 62 6.628 -7.569 -0.124 514 HB1 ALA 62 3HB ALA 62 3.663 -7.396 -0.778 515 HB2 ALA 62 1HB ALA 62 4.631 -8.871 -0.737 516 HB3 ALA 62 2HB ALA 62 4.970 -7.630 -1.943 517 H VAL 63 H VAL 63 7.521 -5.748 -1.052 518 HA VAL 63 HA VAL 63 6.210 -3.156 -0.742 519 HB VAL 63 HB VAL 63 8.880 -3.761 -2.081 520 HG11 VAL 63 1HG1 VAL 63 7.902 -1.627 -2.802 521 HG12 VAL 63 2HG1 VAL 63 9.332 -1.347 -1.807 522 HG13 VAL 63 3HG1 VAL 63 7.722 -1.122 -1.118 523 HG21 VAL 63 3HG2 VAL 63 8.988 -4.429 0.284 524 HG22 VAL 63 1HG2 VAL 63 8.408 -2.833 0.777 525 HG23 VAL 63 2HG2 VAL 63 9.980 -3.000 -0.011 526 H VAL 64 H VAL 64 4.715 -2.711 -2.211 527 HA VAL 64 HA VAL 64 4.995 -3.649 -4.995 528 HB VAL 64 HB VAL 64 2.548 -3.216 -5.244 529 HG11 VAL 64 1HG1 VAL 64 3.297 -5.497 -4.708 530 HG12 VAL 64 2HG1 VAL 64 1.737 -5.170 -3.959 531 HG13 VAL 64 3HG1 VAL 64 3.206 -5.147 -2.978 532 HG21 VAL 64 3HG2 VAL 64 1.113 -2.836 -3.253 533 HG22 VAL 64 1HG2 VAL 64 2.227 -1.492 -3.511 534 HG23 VAL 64 2HG2 VAL 64 2.553 -2.675 -2.241 535 H GLU 65 H GLU 65 4.716 -2.176 -6.657 536 HA GLU 65 HA GLU 65 5.321 0.637 -6.095 537 HB2 GLU 65 2HB GLU 65 6.736 -0.458 -7.800 538 HB3 GLU 65 3HB GLU 65 5.306 -0.970 -8.696 539 HG2 GLU 65 2HG GLU 65 4.740 1.418 -9.121 540 HG3 GLU 65 3HG GLU 65 6.205 1.906 -8.273 541 H THR 66 H THR 66 3.687 2.078 -6.205 542 HA THR 66 HA THR 66 1.206 1.437 -7.695 543 HB THR 66 HB THR 66 -0.155 2.453 -5.887 544 HG1 THR 66 HG1 THR 66 2.081 2.398 -4.155 545 HG21 THR 66 3HG2 THR 66 0.009 0.685 -4.179 546 HG22 THR 66 1HG2 THR 66 1.589 0.208 -4.800 547 HG23 THR 66 2HG2 THR 66 0.146 -0.002 -5.797 548 H ASN 67 H ASN 67 -0.180 3.571 -7.676 549 HA ASN 67 HA ASN 67 1.324 5.627 -8.987 550 HB2 ASN 67 2HB ASN 67 -0.886 6.791 -9.172 551 HB3 ASN 67 3HB ASN 67 -0.904 5.147 -9.790 552 HD21 ASN 67 1HD2 ASN 67 -3.186 6.674 -9.025 553 HD22 ASN 67 2HD2 ASN 67 -3.957 5.862 -7.710 554 H LEU 68 H LEU 68 0.553 5.003 -5.706 555 HA LEU 68 HA LEU 68 0.893 7.776 -4.824 556 HB2 LEU 68 2HB LEU 68 0.518 5.221 -3.218 557 HB3 LEU 68 3HB LEU 68 0.532 6.848 -2.552 558 HG LEU 68 HG LEU 68 -1.579 5.653 -4.394 559 HD11 LEU 68 1HD1 LEU 68 -1.787 6.575 -1.512 560 HD12 LEU 68 2HD1 LEU 68 -1.756 4.899 -2.066 561 HD13 LEU 68 3HD1 LEU 68 -3.104 5.943 -2.502 562 HD21 LEU 68 3HD2 LEU 68 -1.435 8.496 -3.327 563 HD22 LEU 68 1HD2 LEU 68 -2.818 7.785 -4.165 564 HD23 LEU 68 2HD2 LEU 68 -1.290 7.997 -5.013 565 H GLY 69 H GLY 69 2.578 4.628 -4.637 566 HA2 GLY 69 2HA GLY 69 5.117 5.350 -5.159 567 HA3 GLY 69 3HA GLY 69 4.974 5.772 -3.454 568 H ASN 70 H ASN 70 6.521 4.210 -2.876 569 HA ASN 70 HA ASN 70 6.070 1.379 -3.309 570 HB2 ASN 70 2HB ASN 70 7.950 2.838 -1.397 571 HB3 ASN 70 3HB ASN 70 7.981 1.107 -1.713 572 HD21 ASN 70 1HD2 ASN 70 7.659 1.082 -4.498 573 HD22 ASN 70 2HD2 ASN 70 9.048 1.814 -5.212 574 H VAL 71 H VAL 71 4.735 0.102 -2.042 575 HA VAL 71 HA VAL 71 3.860 1.124 0.605 576 HB VAL 71 HB VAL 71 2.196 -0.458 -1.419 577 HG11 VAL 71 1HG1 VAL 71 1.330 0.841 1.193 578 HG12 VAL 71 2HG1 VAL 71 1.513 -0.890 0.907 579 HG13 VAL 71 3HG1 VAL 71 0.271 0.015 0.044 580 HG21 VAL 71 3HG2 VAL 71 0.884 1.623 -1.774 581 HG22 VAL 71 1HG2 VAL 71 2.567 1.801 -2.286 582 HG23 VAL 71 2HG2 VAL 71 2.029 2.509 -0.760 583 H ARG 72 H ARG 72 3.871 -0.356 2.280 584 HA ARG 72 HA ARG 72 4.789 -3.124 1.825 585 HB2 ARG 72 2HB ARG 72 4.213 -1.552 4.375 586 HB3 ARG 72 3HB ARG 72 4.543 -3.280 4.395 587 HG2 ARG 72 2HG ARG 72 6.433 -1.166 3.389 588 HG3 ARG 72 3HG ARG 72 6.497 -1.893 4.989 589 HD2 ARG 72 2HD ARG 72 6.873 -4.119 3.907 590 HD3 ARG 72 3HD ARG 72 6.922 -3.312 2.333 591 HE ARG 72 HE ARG 72 8.779 -1.964 3.778 592 HH11 ARG 72 1HH1 ARG 72 8.414 -5.401 3.088 593 HH12 ARG 72 2HH1 ARG 72 10.109 -5.724 3.228 594 HH21 ARG 72 1HH2 ARG 72 10.989 -2.424 3.960 595 HH22 ARG 72 2HH2 ARG 72 11.565 -4.039 3.696 596 H VAL 73 H VAL 73 3.337 -4.783 1.719 597 HA VAL 73 HA VAL 73 0.501 -4.341 2.110 598 HB VAL 73 HB VAL 73 2.040 -6.942 1.624 599 HG11 VAL 73 1HG1 VAL 73 -0.154 -7.902 0.950 600 HG12 VAL 73 2HG1 VAL 73 -0.961 -6.405 1.427 601 HG13 VAL 73 3HG1 VAL 73 -0.160 -7.405 2.644 602 HG21 VAL 73 3HG2 VAL 73 0.564 -5.151 -0.350 603 HG22 VAL 73 1HG2 VAL 73 1.303 -6.710 -0.731 604 HG23 VAL 73 2HG2 VAL 73 2.314 -5.355 -0.233 605 H THR 74 H THR 74 -0.242 -4.153 4.160 606 HA THR 74 HA THR 74 1.285 -5.315 6.402 607 HB THR 74 HB THR 74 -0.064 -3.687 7.799 608 HG1 THR 74 HG1 THR 74 -1.684 -2.725 6.858 609 HG21 THR 74 3HG2 THR 74 1.170 -1.675 7.076 610 HG22 THR 74 1HG2 THR 74 1.548 -2.446 5.531 611 HG23 THR 74 2HG2 THR 74 2.214 -3.098 7.032 612 H SER 75 H SER 75 -1.688 -5.586 4.683 613 HA SER 75 HA SER 75 -3.057 -7.160 6.731 614 HB2 SER 75 2HB SER 75 -4.341 -5.615 5.251 615 HB3 SER 75 3HB SER 75 -3.851 -6.558 3.845 616 HG SER 75 HG SER 75 -5.896 -7.201 4.498 617 H ARG 76 H ARG 76 -3.989 -9.284 5.995 618 HA ARG 76 HA ARG 76 -1.979 -10.999 4.698 619 HB2 ARG 76 2HB ARG 76 -3.465 -12.871 5.594 620 HB3 ARG 76 3HB ARG 76 -2.688 -11.866 6.810 621 HG2 ARG 76 2HG ARG 76 -4.936 -10.545 6.841 622 HG3 ARG 76 3HG ARG 76 -5.603 -11.953 6.021 623 HD2 ARG 76 2HD ARG 76 -4.231 -11.960 8.727 624 HD3 ARG 76 3HD ARG 76 -5.973 -12.010 8.460 625 HE ARG 76 HE ARG 76 -4.192 -14.148 7.459 626 HH11 ARG 76 1HH1 ARG 76 -7.056 -13.214 9.278 627 HH12 ARG 76 2HH1 ARG 76 -7.498 -14.849 9.637 628 HH21 ARG 76 1HH2 ARG 76 -4.790 -16.281 7.952 629 HH22 ARG 76 2HH2 ARG 76 -6.220 -16.587 8.879 630 HA PRO 77 HA PRO 77 -4.529 -9.594 1.217 631 HB2 PRO 77 2HB PRO 77 -2.957 -10.508 -0.855 632 HB3 PRO 77 3HB PRO 77 -2.595 -9.062 0.094 633 HG2 PRO 77 2HG PRO 77 -1.493 -11.851 0.416 634 HG3 PRO 77 3HG PRO 77 -0.623 -10.298 0.428 635 HD2 PRO 77 2HD PRO 77 -1.253 -11.563 2.726 636 HD3 PRO 77 3HD PRO 77 -1.296 -9.790 2.615 637 H GLY 78 H GLY 78 -3.281 -12.950 1.035 638 HA2 GLY 78 2HA GLY 78 -5.386 -13.823 -0.758 639 HA3 GLY 78 3HA GLY 78 -4.110 -14.809 -0.062 640 H GLN 79 H GLN 79 -5.137 -13.521 2.648 641 HA GLN 79 HA GLN 79 -6.926 -15.761 3.253 642 HB2 GLN 79 2HB GLN 79 -5.497 -13.754 5.025 643 HB3 GLN 79 3HB GLN 79 -6.587 -14.982 5.653 644 HG2 GLN 79 2HG GLN 79 -4.082 -15.623 4.060 645 HG3 GLN 79 3HG GLN 79 -4.145 -15.539 5.819 646 HE21 GLN 79 1HE2 GLN 79 -3.533 -17.710 6.005 647 HE22 GLN 79 2HE2 GLN 79 -4.615 -19.010 5.657 648 H ASP 80 H ASP 80 -6.921 -12.198 3.667 649 HA ASP 80 HA ASP 80 -9.776 -12.109 4.210 650 HB2 ASP 80 2HB ASP 80 -7.650 -9.971 3.874 651 HB3 ASP 80 3HB ASP 80 -9.356 -9.534 3.920 652 H GLY 81 H GLY 81 -7.915 -12.384 1.397 653 HA2 GLY 81 2HA GLY 81 -8.386 -12.228 -0.841 654 HA3 GLY 81 3HA GLY 81 -10.082 -12.055 -0.407 655 H VAL 82 H VAL 82 -7.882 -9.734 0.972 656 HA VAL 82 HA VAL 82 -8.220 -7.803 -1.165 657 HB VAL 82 HB VAL 82 -10.198 -7.425 0.308 658 HG11 VAL 82 1HG1 VAL 82 -8.196 -6.875 2.521 659 HG12 VAL 82 2HG1 VAL 82 -9.325 -8.229 2.446 660 HG13 VAL 82 3HG1 VAL 82 -9.934 -6.581 2.618 661 HG21 VAL 82 3HG2 VAL 82 -8.156 -5.169 0.496 662 HG22 VAL 82 1HG2 VAL 82 -9.909 -4.992 0.662 663 HG23 VAL 82 2HG2 VAL 82 -9.213 -5.493 -0.879 664 H ILE 83 H ILE 83 -6.590 -6.179 -1.110 665 HA ILE 83 HA ILE 83 -4.254 -6.892 0.551 666 HB ILE 83 HB ILE 83 -4.268 -5.467 -2.161 667 HG12 ILE 83 2HG1 ILE 83 -3.690 -8.400 -1.540 668 HG13 ILE 83 3HG1 ILE 83 -5.036 -7.787 -2.480 669 HG21 ILE 83 1HG2 ILE 83 -2.304 -4.931 -0.751 670 HG22 ILE 83 2HG2 ILE 83 -1.833 -5.875 -2.163 671 HG23 ILE 83 3HG2 ILE 83 -1.951 -6.653 -0.584 672 HD11 ILE 83 3HD1 ILE 83 -2.127 -7.710 -3.269 673 HD12 ILE 83 1HD1 ILE 83 -3.458 -7.022 -4.201 674 HD13 ILE 83 2HD1 ILE 83 -3.385 -8.761 -3.920 675 H ASN 84 H ASN 84 -3.919 -5.451 2.121 676 HA ASN 84 HA ASN 84 -4.523 -2.577 1.717 677 HB2 ASN 84 2HB ASN 84 -4.714 -4.048 4.385 678 HB3 ASN 84 3HB ASN 84 -5.169 -2.381 4.061 679 HD21 ASN 84 1HD2 ASN 84 -7.148 -1.962 3.095 680 HD22 ASN 84 2HD2 ASN 84 -8.375 -3.163 2.910 681 H GLY 85 H GLY 85 -3.023 -1.129 2.827 682 HA2 GLY 85 2HA GLY 85 -0.578 -2.236 3.937 683 HA3 GLY 85 3HA GLY 85 -0.407 -1.632 2.295 684 H VAL 86 H VAL 86 1.247 -0.482 3.843 685 HA VAL 86 HA VAL 86 0.111 2.182 4.463 686 HB VAL 86 HB VAL 86 1.944 2.568 6.100 687 HG11 VAL 86 1HG1 VAL 86 0.228 0.155 6.773 688 HG12 VAL 86 2HG1 VAL 86 -0.243 1.849 6.928 689 HG13 VAL 86 3HG1 VAL 86 1.047 1.199 7.941 690 HG21 VAL 86 3HG2 VAL 86 3.632 0.994 5.260 691 HG22 VAL 86 1HG2 VAL 86 2.617 -0.378 5.706 692 HG23 VAL 86 2HG2 VAL 86 3.300 0.661 6.961 693 H LEU 87 H LEU 87 1.125 3.945 3.601 694 HA LEU 87 HA LEU 87 2.831 3.515 1.340 695 HB2 LEU 87 2HB LEU 87 1.082 5.310 1.467 696 HB3 LEU 87 3HB LEU 87 2.061 6.138 2.669 697 HG LEU 87 HG LEU 87 3.883 6.417 0.973 698 HD11 LEU 87 1HD1 LEU 87 1.927 5.177 -0.984 699 HD12 LEU 87 2HD1 LEU 87 3.453 4.478 -0.440 700 HD13 LEU 87 3HD1 LEU 87 3.460 5.950 -1.410 701 HD21 LEU 87 3HD2 LEU 87 2.805 8.152 -0.365 702 HD22 LEU 87 1HD2 LEU 87 2.237 8.206 1.305 703 HD23 LEU 87 2HD2 LEU 87 1.215 7.506 0.049 704 H ILE 88 H ILE 88 4.952 3.328 1.393 705 HA ILE 88 HA ILE 88 6.613 4.742 3.404 706 HB ILE 88 HB ILE 88 8.265 2.879 3.261 707 HG12 ILE 88 2HG1 ILE 88 6.147 1.335 1.681 708 HG13 ILE 88 3HG1 ILE 88 7.562 2.088 0.953 709 HG21 ILE 88 1HG2 ILE 88 7.046 1.208 4.621 710 HG22 ILE 88 2HG2 ILE 88 5.506 1.908 4.113 711 HG23 ILE 88 3HG2 ILE 88 6.621 2.854 5.104 712 HD11 ILE 88 3HD1 ILE 88 7.778 -0.333 1.308 713 HD12 ILE 88 1HD1 ILE 88 7.692 -0.059 3.046 714 HD13 ILE 88 2HD1 ILE 88 9.023 0.617 2.119 715 H ARG 89 H ARG 89 9.058 4.466 2.359 716 HA ARG 89 HA ARG 89 9.043 5.385 -0.429 717 HB2 ARG 89 2HB ARG 89 10.365 7.035 1.781 718 HB3 ARG 89 3HB ARG 89 10.380 7.397 0.065 719 HG2 ARG 89 2HG ARG 89 7.965 7.521 1.907 720 HG3 ARG 89 3HG ARG 89 8.867 8.896 1.271 721 HD2 ARG 89 2HD ARG 89 7.183 6.939 -0.329 722 HD3 ARG 89 3HD ARG 89 6.794 8.624 0.018 723 HE ARG 89 HE ARG 89 9.230 8.663 -1.304 724 HH11 ARG 89 1HH1 ARG 89 5.930 7.681 -2.074 725 HH12 ARG 89 2HH1 ARG 89 6.128 7.938 -3.777 726 HH21 ARG 89 1HH2 ARG 89 9.457 8.987 -3.533 727 HH22 ARG 89 2HH2 ARG 89 8.126 8.667 -4.597 728 H GLU 90 H GLU 90 10.161 3.441 -0.916 729 HA GLU 90 HA GLU 90 12.704 2.848 0.431 730 HB2 GLU 90 2HB GLU 90 11.316 1.408 -1.876 731 HB3 GLU 90 3HB GLU 90 12.738 0.823 -1.016 732 HG2 GLU 90 2HG GLU 90 9.955 1.186 0.120 733 HG3 GLU 90 3HG GLU 90 10.740 -0.342 -0.259 734 H LEU 91 H LEU 91 11.519 3.535 -2.815 735 HA LEU 91 HA LEU 91 14.163 4.320 -3.794 736 HB2 LEU 91 2HB LEU 91 11.509 4.102 -5.277 737 HB3 LEU 91 3HB LEU 91 13.094 4.322 -6.008 738 HG LEU 91 HG LEU 91 12.154 1.833 -4.524 739 HD11 LEU 91 1HD1 LEU 91 11.058 2.066 -6.694 740 HD12 LEU 91 2HD1 LEU 91 12.203 0.726 -6.715 741 HD13 LEU 91 3HD1 LEU 91 12.626 2.257 -7.483 742 HD21 LEU 91 3HD2 LEU 91 14.570 2.140 -4.207 743 HD22 LEU 91 1HD2 LEU 91 14.797 2.319 -5.950 744 HD23 LEU 91 2HD2 LEU 91 14.258 0.776 -5.278 745 H GLU 92 H GLU 92 13.892 6.278 -5.425 746 HA GLU 92 HA GLU 92 13.576 8.460 -5.851 747 HB2 GLU 92 2HB GLU 92 10.988 8.095 -4.290 748 HB3 GLU 92 3HB GLU 92 11.382 9.529 -5.234 749 HG2 GLU 92 2HG GLU 92 11.006 6.716 -6.298 750 HG3 GLU 92 3HG GLU 92 9.877 8.059 -6.483 751 H HIS 93 H HIS 93 15.482 8.610 -4.484 752 HA HIS 93 HA HIS 93 15.249 10.702 -2.514 753 HB2 HIS 93 2HB HIS 93 16.303 9.490 -0.633 754 HB3 HIS 93 3HB HIS 93 14.779 8.726 -1.069 755 HD1 HIS 93 HD1 HIS 93 18.239 7.944 -0.387 756 HD2 HIS 93 HD2 HIS 93 15.242 6.294 -2.749 757 HE1 HIS 93 HE1 HIS 93 18.965 5.588 -0.863 758 HE2 HIS 93 HE2 HIS 93 17.126 4.598 -2.255 759 H HIS 94 H HIS 94 17.395 11.503 -1.833 760 HA HIS 94 HA HIS 94 19.367 11.413 -3.926 761 HB2 HIS 94 2HB HIS 94 19.458 12.645 -1.136 762 HB3 HIS 94 3HB HIS 94 20.762 12.802 -2.311 763 HD1 HIS 94 HD1 HIS 94 20.498 14.573 -4.129 764 HD2 HIS 94 HD2 HIS 94 17.023 14.038 -1.913 765 HE1 HIS 94 HE1 HIS 94 18.955 16.436 -4.816 766 HE2 HIS 94 HE2 HIS 94 16.789 15.923 -3.651 767 H HIS 95 H HIS 95 20.399 9.546 -4.250 768 HA HIS 95 HA HIS 95 20.873 7.611 -2.199 769 HB2 HIS 95 2HB HIS 95 22.095 6.356 -4.093 770 HB3 HIS 95 3HB HIS 95 20.379 6.658 -4.286 771 HD1 HIS 95 HD1 HIS 95 19.982 6.969 -6.704 772 HD2 HIS 95 HD2 HIS 95 23.453 8.917 -5.519 773 HE1 HIS 95 HE1 HIS 95 20.866 8.093 -8.768 774 HE2 HIS 95 HE2 HIS 95 22.848 9.410 -7.973 775 H HIS 96 H HIS 96 22.203 8.412 -0.633 776 HA HIS 96 HA HIS 96 24.770 9.616 -1.166 777 HB2 HIS 96 2HB HIS 96 23.285 10.074 0.881 778 HB3 HIS 96 3HB HIS 96 23.810 8.520 1.515 779 HD1 HIS 96 HD1 HIS 96 26.372 8.341 2.206 780 HD2 HIS 96 HD2 HIS 96 25.104 12.150 1.127 781 HE1 HIS 96 HE1 HIS 96 28.196 9.901 2.935 782 HE2 HIS 96 HE2 HIS 96 27.309 12.200 2.464 783 H HIS 97 H HIS 97 23.583 6.401 -0.433 784 HA HIS 97 HA HIS 97 26.324 5.285 -0.447 785 HB2 HIS 97 2HB HIS 97 24.926 4.611 1.479 786 HB3 HIS 97 3HB HIS 97 23.680 4.009 0.397 787 HD1 HIS 97 HD1 HIS 97 27.201 3.220 1.542 788 HD2 HIS 97 HD2 HIS 97 24.061 1.389 -0.483 789 HE1 HIS 97 HE1 HIS 97 27.856 0.811 1.294 790 HE2 HIS 97 HE2 HIS 97 25.843 -0.309 0.290 791 H HIS 98 H HIS 98 26.914 3.764 -1.991 792 HA HIS 98 HA HIS 98 25.007 3.149 -4.175 793 HB2 HIS 98 2HB HIS 98 26.808 4.792 -4.865 794 HB3 HIS 98 3HB HIS 98 28.022 3.573 -4.489 795 HD1 HIS 98 HD1 HIS 98 25.333 4.404 -6.966 796 HD2 HIS 98 HD2 HIS 98 28.270 1.521 -6.419 797 HE1 HIS 98 HE1 HIS 98 25.448 3.139 -9.123 798 HE2 HIS 98 HE2 HIS 98 27.118 1.313 -8.715 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -15.516 27.084 -39.277 2 H2 GLY 1 2H GLY 1 -13.957 26.441 -39.270 3 H3 GLY 1 3H GLY 1 -14.453 27.454 -38.018 4 HA2 GLY 1 2HA GLY 1 -15.560 24.772 -38.612 5 HA3 GLY 1 3HA GLY 1 -14.446 25.147 -37.302 6 H ASP 2 H ASP 2 -17.053 23.965 -37.006 7 HA ASP 2 HA ASP 2 -18.933 25.857 -35.975 8 HB2 ASP 2 2HB ASP 2 -19.568 23.555 -36.732 9 HB3 ASP 2 3HB ASP 2 -18.660 22.865 -35.389 10 H ARG 3 H ARG 3 -18.128 27.203 -34.423 11 HA ARG 3 HA ARG 3 -16.362 26.220 -32.311 12 HB2 ARG 3 2HB ARG 3 -17.347 29.046 -32.915 13 HB3 ARG 3 3HB ARG 3 -16.186 28.628 -31.659 14 HG2 ARG 3 2HG ARG 3 -15.798 28.396 -34.657 15 HG3 ARG 3 3HG ARG 3 -14.998 29.517 -33.552 16 HD2 ARG 3 2HD ARG 3 -14.647 26.510 -33.692 17 HD3 ARG 3 3HD ARG 3 -13.453 27.748 -34.087 18 HE ARG 3 HE ARG 3 -14.302 28.010 -31.381 19 HH11 ARG 3 1HH1 ARG 3 -12.190 26.058 -33.419 20 HH12 ARG 3 2HH1 ARG 3 -11.209 25.545 -32.087 21 HH21 ARG 3 1HH2 ARG 3 -13.026 27.269 -29.662 22 HH22 ARG 3 2HH2 ARG 3 -11.697 26.200 -29.973 23 H ARG 4 H ARG 4 -17.164 25.472 -30.452 24 HA ARG 4 HA ARG 4 -19.075 27.012 -28.933 25 HB2 ARG 4 2HB ARG 4 -20.675 25.187 -28.509 26 HB3 ARG 4 3HB ARG 4 -20.618 25.561 -30.229 27 HG2 ARG 4 2HG ARG 4 -19.275 23.578 -30.669 28 HG3 ARG 4 3HG ARG 4 -19.164 23.225 -28.943 29 HD2 ARG 4 2HD ARG 4 -21.658 22.977 -28.892 30 HD3 ARG 4 3HD ARG 4 -21.666 23.178 -30.648 31 HE ARG 4 HE ARG 4 -20.001 21.151 -30.468 32 HH11 ARG 4 1HH1 ARG 4 -22.968 21.595 -28.622 33 HH12 ARG 4 2HH1 ARG 4 -23.292 19.896 -28.508 34 HH21 ARG 4 1HH2 ARG 4 -20.450 18.924 -30.311 35 HH22 ARG 4 2HH2 ARG 4 -21.869 18.377 -29.468 36 H VAL 5 H VAL 5 -18.742 26.751 -26.757 37 HA VAL 5 HA VAL 5 -16.567 24.940 -25.888 38 HB VAL 5 HB VAL 5 -17.841 27.274 -24.358 39 HG11 VAL 5 1HG1 VAL 5 -15.897 27.093 -22.848 40 HG12 VAL 5 2HG1 VAL 5 -15.307 25.696 -23.756 41 HG13 VAL 5 3HG1 VAL 5 -16.831 25.597 -22.870 42 HG21 VAL 5 3HG2 VAL 5 -16.678 28.108 -26.356 43 HG22 VAL 5 1HG2 VAL 5 -15.213 27.230 -25.896 44 HG23 VAL 5 2HG2 VAL 5 -15.800 28.562 -24.894 45 H ARG 6 H ARG 6 -17.032 23.182 -24.721 46 HA ARG 6 HA ARG 6 -19.354 23.021 -22.981 47 HB2 ARG 6 2HB ARG 6 -20.285 22.338 -25.177 48 HB3 ARG 6 3HB ARG 6 -19.048 21.091 -25.325 49 HG2 ARG 6 2HG ARG 6 -19.997 19.812 -23.519 50 HG3 ARG 6 3HG ARG 6 -21.063 21.141 -23.048 51 HD2 ARG 6 2HD ARG 6 -21.229 19.611 -25.675 52 HD3 ARG 6 3HD ARG 6 -22.258 19.332 -24.264 53 HE ARG 6 HE ARG 6 -22.224 22.035 -25.401 54 HH11 ARG 6 1HH1 ARG 6 -23.973 18.983 -25.171 55 HH12 ARG 6 2HH1 ARG 6 -25.498 19.705 -25.584 56 HH21 ARG 6 1HH2 ARG 6 -24.217 22.941 -25.951 57 HH22 ARG 6 2HH2 ARG 6 -25.625 21.935 -26.052 58 H LEU 7 H LEU 7 -17.864 22.844 -21.358 59 HA LEU 7 HA LEU 7 -15.799 20.809 -21.310 60 HB2 LEU 7 2HB LEU 7 -16.768 22.698 -19.117 61 HB3 LEU 7 3HB LEU 7 -15.302 21.725 -19.060 62 HG LEU 7 HG LEU 7 -15.818 24.011 -21.017 63 HD11 LEU 7 1HD1 LEU 7 -15.499 24.849 -18.729 64 HD12 LEU 7 2HD1 LEU 7 -14.127 25.266 -19.754 65 HD13 LEU 7 3HD1 LEU 7 -13.989 23.941 -18.594 66 HD21 LEU 7 3HD2 LEU 7 -13.450 23.766 -21.653 67 HD22 LEU 7 1HD2 LEU 7 -14.361 22.293 -22.005 68 HD23 LEU 7 2HD2 LEU 7 -13.303 22.361 -20.594 69 H ILE 8 H ILE 8 -16.890 18.853 -21.445 70 HA ILE 8 HA ILE 8 -19.126 18.107 -19.855 71 HB ILE 8 HB ILE 8 -18.696 17.021 -22.027 72 HG12 ILE 8 2HG1 ILE 8 -18.978 14.600 -21.368 73 HG13 ILE 8 3HG1 ILE 8 -18.577 15.026 -19.708 74 HG21 ILE 8 1HG2 ILE 8 -16.885 15.393 -22.363 75 HG22 ILE 8 2HG2 ILE 8 -16.234 15.774 -20.769 76 HG23 ILE 8 3HG2 ILE 8 -16.248 17.009 -22.033 77 HD11 ILE 8 3HD1 ILE 8 -20.959 16.012 -21.276 78 HD12 ILE 8 1HD1 ILE 8 -20.572 16.444 -19.607 79 HD13 ILE 8 2HD1 ILE 8 -20.969 14.776 -20.018 80 H ARG 9 H ARG 9 -19.230 17.096 -17.906 81 HA ARG 9 HA ARG 9 -16.889 16.084 -16.499 82 HB2 ARG 9 2HB ARG 9 -16.889 18.537 -16.016 83 HB3 ARG 9 3HB ARG 9 -18.542 18.428 -15.427 84 HG2 ARG 9 2HG ARG 9 -17.009 18.557 -13.544 85 HG3 ARG 9 3HG ARG 9 -17.767 16.962 -13.567 86 HD2 ARG 9 2HD ARG 9 -15.751 15.959 -14.488 87 HD3 ARG 9 3HD ARG 9 -14.996 17.549 -14.675 88 HE ARG 9 HE ARG 9 -15.561 17.442 -12.026 89 HH11 ARG 9 1HH1 ARG 9 -13.869 15.144 -14.096 90 HH12 ARG 9 2HH1 ARG 9 -12.762 14.660 -12.851 91 HH21 ARG 9 1HH2 ARG 9 -14.114 16.765 -10.388 92 HH22 ARG 9 2HH2 ARG 9 -12.928 15.550 -10.752 93 H THR 10 H THR 10 -17.993 14.131 -16.714 94 HA THR 10 HA THR 10 -20.623 13.794 -15.445 95 HB THR 10 HB THR 10 -18.955 11.767 -17.012 96 HG1 THR 10 HG1 THR 10 -20.875 13.686 -17.852 97 HG21 THR 10 3HG2 THR 10 -20.752 10.752 -15.618 98 HG22 THR 10 1HG2 THR 10 -21.088 10.586 -17.343 99 HG23 THR 10 2HG2 THR 10 -21.941 11.804 -16.393 100 H ARG 11 H ARG 11 -20.008 13.994 -13.266 101 HA ARG 11 HA ARG 11 -17.989 12.385 -12.023 102 HB2 ARG 11 2HB ARG 11 -20.240 14.099 -10.924 103 HB3 ARG 11 3HB ARG 11 -19.195 13.167 -9.865 104 HG2 ARG 11 2HG ARG 11 -18.173 15.279 -11.790 105 HG3 ARG 11 3HG ARG 11 -18.582 15.598 -10.106 106 HD2 ARG 11 2HD ARG 11 -16.230 15.300 -10.136 107 HD3 ARG 11 3HD ARG 11 -16.872 13.789 -9.485 108 HE ARG 11 HE ARG 11 -16.268 13.941 -12.357 109 HH11 ARG 11 1HH1 ARG 11 -15.349 12.648 -9.213 110 HH12 ARG 11 2HH1 ARG 11 -14.213 11.524 -9.882 111 HH21 ARG 11 1HH2 ARG 11 -14.730 12.500 -13.199 112 HH22 ARG 11 2HH2 ARG 11 -13.856 11.449 -12.136 113 H GLY 12 H GLY 12 -18.145 10.447 -11.106 114 HA2 GLY 12 2HA GLY 12 -20.421 9.043 -10.254 115 HA3 GLY 12 3HA GLY 12 -20.116 8.615 -11.936 116 H GLY 13 H GLY 13 -18.248 9.120 -8.939 117 HA2 GLY 13 2HA GLY 13 -16.266 7.114 -9.484 118 HA3 GLY 13 3HA GLY 13 -16.569 7.913 -7.944 119 H ASN 14 H ASN 14 -17.722 5.339 -10.072 120 HA ASN 14 HA ASN 14 -19.812 4.411 -8.362 121 HB2 ASN 14 2HB ASN 14 -19.770 4.225 -10.874 122 HB3 ASN 14 3HB ASN 14 -18.514 3.005 -10.742 123 HD21 ASN 14 1HD2 ASN 14 -21.902 3.686 -10.247 124 HD22 ASN 14 2HD2 ASN 14 -22.392 2.045 -10.029 125 H THR 15 H THR 15 -19.806 2.801 -6.873 126 HA THR 15 HA THR 15 -17.399 1.739 -5.781 127 HB THR 15 HB THR 15 -18.998 0.362 -4.358 128 HG1 THR 15 HG1 THR 15 -20.676 0.148 -5.935 129 HG21 THR 15 3HG2 THR 15 -20.051 2.275 -3.191 130 HG22 THR 15 1HG2 THR 15 -19.713 3.319 -4.576 131 HG23 THR 15 2HG2 THR 15 -18.384 2.645 -3.629 132 H LYS 16 H LYS 16 -16.221 0.183 -6.795 133 HA LYS 16 HA LYS 16 -17.550 -1.793 -8.568 134 HB2 LYS 16 2HB LYS 16 -15.496 -1.914 -9.877 135 HB3 LYS 16 3HB LYS 16 -16.031 -0.250 -9.779 136 HG2 LYS 16 2HG LYS 16 -13.902 -1.273 -7.897 137 HG3 LYS 16 3HG LYS 16 -13.482 -0.807 -9.542 138 HD2 LYS 16 2HD LYS 16 -14.856 1.028 -7.538 139 HD3 LYS 16 3HD LYS 16 -13.117 1.002 -7.834 140 HE2 LYS 16 2HE LYS 16 -13.457 1.709 -10.149 141 HE3 LYS 16 3HE LYS 16 -15.210 1.617 -9.954 142 HZ1 LYS 16 3HZ LYS 16 -15.091 3.376 -8.314 143 HZ2 LYS 16 1HZ LYS 16 -14.409 3.893 -9.774 144 HZ3 LYS 16 2HZ LYS 16 -13.413 3.465 -8.478 145 H VAL 17 H VAL 17 -15.931 -3.724 -8.937 146 HA VAL 17 HA VAL 17 -15.611 -5.191 -6.502 147 HB VAL 17 HB VAL 17 -16.228 -6.184 -8.738 148 HG11 VAL 17 1HG1 VAL 17 -14.698 -4.955 -10.189 149 HG12 VAL 17 2HG1 VAL 17 -14.506 -6.693 -10.403 150 HG13 VAL 17 3HG1 VAL 17 -13.311 -5.786 -9.473 151 HG21 VAL 17 3HG2 VAL 17 -13.804 -7.442 -7.415 152 HG22 VAL 17 1HG2 VAL 17 -14.931 -8.270 -8.495 153 HG23 VAL 17 2HG2 VAL 17 -15.490 -7.657 -6.938 154 H ARG 18 H ARG 18 -13.527 -6.053 -5.678 155 HA ARG 18 HA ARG 18 -11.805 -3.891 -5.130 156 HB2 ARG 18 2HB ARG 18 -11.540 -6.844 -4.482 157 HB3 ARG 18 3HB ARG 18 -10.451 -5.612 -3.848 158 HG2 ARG 18 2HG ARG 18 -13.435 -5.797 -3.326 159 HG3 ARG 18 3HG ARG 18 -12.143 -6.216 -2.199 160 HD2 ARG 18 2HD ARG 18 -11.375 -3.791 -2.362 161 HD3 ARG 18 3HD ARG 18 -12.867 -3.466 -3.251 162 HE ARG 18 HE ARG 18 -13.249 -4.763 -0.701 163 HH11 ARG 18 1HH1 ARG 18 -13.121 -1.680 -2.381 164 HH12 ARG 18 2HH1 ARG 18 -13.808 -0.798 -1.057 165 HH21 ARG 18 1HH2 ARG 18 -14.195 -3.586 1.000 166 HH22 ARG 18 2HH2 ARG 18 -14.397 -1.869 0.856 167 H LEU 19 H LEU 19 -10.790 -7.013 -6.599 168 HA LEU 19 HA LEU 19 -8.747 -5.603 -8.178 169 HB2 LEU 19 2HB LEU 19 -6.889 -6.890 -7.368 170 HB3 LEU 19 3HB LEU 19 -7.672 -6.125 -6.003 171 HG LEU 19 HG LEU 19 -8.064 -9.067 -6.710 172 HD11 LEU 19 1HD1 LEU 19 -5.697 -8.679 -6.195 173 HD12 LEU 19 2HD1 LEU 19 -6.477 -9.610 -4.920 174 HD13 LEU 19 3HD1 LEU 19 -6.142 -7.892 -4.677 175 HD21 LEU 19 3HD2 LEU 19 -8.889 -9.300 -4.406 176 HD22 LEU 19 1HD2 LEU 19 -9.865 -8.150 -5.321 177 HD23 LEU 19 2HD2 LEU 19 -8.690 -7.563 -4.142 178 H ALA 20 H ALA 20 -11.196 -7.169 -8.800 179 HA ALA 20 HA ALA 20 -10.365 -9.604 -10.094 180 HB1 ALA 20 3HB ALA 20 -12.667 -9.289 -9.276 181 HB2 ALA 20 1HB ALA 20 -12.634 -9.692 -10.992 182 HB3 ALA 20 2HB ALA 20 -12.930 -8.028 -10.478 183 H SER 21 H SER 21 -10.377 -6.275 -11.035 184 HA SER 21 HA SER 21 -9.370 -7.000 -13.726 185 HB2 SER 21 2HB SER 21 -11.303 -4.725 -13.085 186 HB3 SER 21 3HB SER 21 -10.518 -4.978 -14.650 187 HG SER 21 HG SER 21 -12.435 -5.952 -14.853 188 H ASP 22 H ASP 22 -9.858 -4.021 -11.793 189 HA ASP 22 HA ASP 22 -7.136 -3.103 -12.217 190 HB2 ASP 22 2HB ASP 22 -9.378 -1.938 -10.480 191 HB3 ASP 22 3HB ASP 22 -7.866 -1.129 -10.870 192 H THR 23 H THR 23 -5.552 -4.149 -10.966 193 HA THR 23 HA THR 23 -5.993 -5.292 -8.432 194 HB THR 23 HB THR 23 -3.362 -4.307 -9.629 195 HG1 THR 23 HG1 THR 23 -4.604 -6.879 -9.726 196 HG21 THR 23 3HG2 THR 23 -3.876 -6.357 -7.431 197 HG22 THR 23 1HG2 THR 23 -3.146 -4.770 -7.212 198 HG23 THR 23 2HG2 THR 23 -2.306 -6.002 -8.156 199 H ARG 24 H ARG 24 -6.563 -4.190 -6.660 200 HA ARG 24 HA ARG 24 -5.609 -1.418 -6.273 201 HB2 ARG 24 2HB ARG 24 -8.285 -2.628 -5.491 202 HB3 ARG 24 3HB ARG 24 -7.747 -1.020 -5.028 203 HG2 ARG 24 2HG ARG 24 -8.240 -1.965 -7.867 204 HG3 ARG 24 3HG ARG 24 -9.305 -0.939 -6.908 205 HD2 ARG 24 2HD ARG 24 -7.359 0.718 -6.782 206 HD3 ARG 24 3HD ARG 24 -6.575 -0.255 -8.030 207 HE ARG 24 HE ARG 24 -8.749 0.155 -9.327 208 HH11 ARG 24 1HH1 ARG 24 -7.361 2.519 -7.126 209 HH12 ARG 24 2HH1 ARG 24 -7.987 3.878 -7.993 210 HH21 ARG 24 1HH2 ARG 24 -9.580 1.955 -10.445 211 HH22 ARG 24 2HH2 ARG 24 -9.250 3.558 -9.873 212 H ILE 25 H ILE 25 -5.232 -0.691 -4.233 213 HA ILE 25 HA ILE 25 -5.167 -2.551 -1.969 214 HB ILE 25 HB ILE 25 -2.911 -2.681 -2.925 215 HG12 ILE 25 2HG1 ILE 25 -2.771 -0.923 -0.430 216 HG13 ILE 25 3HG1 ILE 25 -3.134 -2.644 -0.405 217 HG21 ILE 25 1HG2 ILE 25 -2.779 0.344 -2.714 218 HG22 ILE 25 2HG2 ILE 25 -2.860 -0.595 -4.204 219 HG23 ILE 25 3HG2 ILE 25 -1.436 -0.706 -3.169 220 HD11 ILE 25 3HD1 ILE 25 -0.828 -2.225 0.192 221 HD12 ILE 25 1HD1 ILE 25 -0.553 -1.397 -1.341 222 HD13 ILE 25 2HD1 ILE 25 -0.920 -3.124 -1.322 223 H ASN 26 H ASN 26 -5.571 -1.512 -0.010 224 HA ASN 26 HA ASN 26 -6.278 1.338 -0.107 225 HB2 ASN 26 2HB ASN 26 -6.648 -0.775 2.065 226 HB3 ASN 26 3HB ASN 26 -7.182 0.904 2.195 227 HD21 ASN 26 1HD2 ASN 26 -8.715 -1.657 2.181 228 HD22 ASN 26 2HD2 ASN 26 -9.896 -1.475 0.936 229 H VAL 27 H VAL 27 -4.489 2.507 -0.020 230 HA VAL 27 HA VAL 27 -2.105 1.734 1.435 231 HB VAL 27 HB VAL 27 -2.697 4.171 -0.326 232 HG11 VAL 27 1HG1 VAL 27 -0.019 3.190 0.743 233 HG12 VAL 27 2HG1 VAL 27 -0.866 4.658 1.237 234 HG13 VAL 27 3HG1 VAL 27 -0.248 4.512 -0.408 235 HG21 VAL 27 3HG2 VAL 27 -1.410 3.019 -2.073 236 HG22 VAL 27 1HG2 VAL 27 -2.810 2.059 -1.590 237 HG23 VAL 27 2HG2 VAL 27 -1.196 1.621 -1.020 238 H VAL 28 H VAL 28 -2.053 2.230 3.549 239 HA VAL 28 HA VAL 28 -3.420 4.605 4.608 240 HB VAL 28 HB VAL 28 -1.937 2.413 6.141 241 HG11 VAL 28 1HG1 VAL 28 -3.887 4.535 7.116 242 HG12 VAL 28 2HG1 VAL 28 -2.149 4.484 7.426 243 HG13 VAL 28 3HG1 VAL 28 -3.198 3.242 8.105 244 HG21 VAL 28 3HG2 VAL 28 -4.927 2.599 5.596 245 HG22 VAL 28 1HG2 VAL 28 -4.150 1.433 6.677 246 HG23 VAL 28 2HG2 VAL 28 -3.822 1.388 4.944 247 H ASP 29 H ASP 29 -2.122 6.294 4.001 248 HA ASP 29 HA ASP 29 0.688 6.456 4.244 249 HB2 ASP 29 2HB ASP 29 -0.713 8.059 2.929 250 HB3 ASP 29 3HB ASP 29 -1.367 8.714 4.431 251 HA PRO 30 HA PRO 30 0.387 6.241 8.775 252 HB2 PRO 30 2HB PRO 30 2.983 5.798 9.386 253 HB3 PRO 30 3HB PRO 30 2.011 4.580 8.547 254 HG2 PRO 30 2HG PRO 30 4.000 6.535 7.389 255 HG3 PRO 30 3HG PRO 30 3.788 4.807 7.027 256 HD2 PRO 30 2HD PRO 30 2.751 6.840 5.464 257 HD3 PRO 30 3HD PRO 30 2.064 5.203 5.541 258 H GLU 31 H GLU 31 1.602 8.845 7.059 259 HA GLU 31 HA GLU 31 2.753 10.316 9.325 260 HB2 GLU 31 2HB GLU 31 2.320 11.376 6.504 261 HB3 GLU 31 3HB GLU 31 3.503 11.909 7.695 262 HG2 GLU 31 2HG GLU 31 3.557 9.217 6.287 263 HG3 GLU 31 3HG GLU 31 4.461 10.634 5.757 264 H THR 32 H THR 32 0.227 10.730 6.880 265 HA THR 32 HA THR 32 -1.193 12.790 8.385 266 HB THR 32 HB THR 32 -2.622 12.909 6.308 267 HG1 THR 32 HG1 THR 32 -0.844 11.267 4.915 268 HG21 THR 32 3HG2 THR 32 -0.597 14.327 6.446 269 HG22 THR 32 1HG2 THR 32 -0.910 13.807 4.787 270 HG23 THR 32 2HG2 THR 32 0.358 13.025 5.733 271 H GLY 33 H GLY 33 -1.550 9.425 7.495 272 HA2 GLY 33 2HA GLY 33 -2.987 7.835 8.468 273 HA3 GLY 33 3HA GLY 33 -4.007 9.122 9.094 274 H LYS 34 H LYS 34 -3.229 9.677 5.827 275 HA LYS 34 HA LYS 34 -5.940 9.372 4.979 276 HB2 LYS 34 2HB LYS 34 -3.425 9.891 3.339 277 HB3 LYS 34 3HB LYS 34 -5.062 9.987 2.700 278 HG2 LYS 34 2HG LYS 34 -3.924 11.745 4.895 279 HG3 LYS 34 3HG LYS 34 -4.098 12.207 3.202 280 HD2 LYS 34 2HD LYS 34 -6.577 11.948 3.409 281 HD3 LYS 34 3HD LYS 34 -6.374 11.537 5.117 282 HE2 LYS 34 2HE LYS 34 -5.419 13.764 5.547 283 HE3 LYS 34 3HE LYS 34 -5.561 14.177 3.838 284 HZ1 LYS 34 3HZ LYS 34 -7.836 13.557 5.643 285 HZ2 LYS 34 1HZ LYS 34 -7.950 14.011 4.019 286 HZ3 LYS 34 2HZ LYS 34 -7.360 15.104 5.164 287 H VAL 35 H VAL 35 -6.773 7.356 4.816 288 HA VAL 35 HA VAL 35 -5.340 5.174 3.469 289 HB VAL 35 HB VAL 35 -8.214 5.164 4.526 290 HG11 VAL 35 1HG1 VAL 35 -7.954 2.715 4.559 291 HG12 VAL 35 2HG1 VAL 35 -6.318 2.867 3.913 292 HG13 VAL 35 3HG1 VAL 35 -7.702 3.358 2.934 293 HG21 VAL 35 3HG2 VAL 35 -5.712 4.293 6.027 294 HG22 VAL 35 1HG2 VAL 35 -7.378 4.097 6.582 295 HG23 VAL 35 2HG2 VAL 35 -6.696 5.714 6.393 296 H GLU 36 H GLU 36 -5.543 4.920 1.282 297 HA GLU 36 HA GLU 36 -7.896 5.927 -0.153 298 HB2 GLU 36 2HB GLU 36 -6.273 7.813 -0.098 299 HB3 GLU 36 3HB GLU 36 -5.051 6.784 -0.837 300 HG2 GLU 36 2HG GLU 36 -6.499 6.569 -2.860 301 HG3 GLU 36 3HG GLU 36 -7.665 7.666 -2.125 302 H ILE 37 H ILE 37 -8.288 4.875 -2.069 303 HA ILE 37 HA ILE 37 -7.093 2.277 -2.448 304 HB ILE 37 HB ILE 37 -9.259 3.713 -4.062 305 HG12 ILE 37 2HG1 ILE 37 -9.531 1.616 -1.843 306 HG13 ILE 37 3HG1 ILE 37 -9.935 3.322 -1.693 307 HG21 ILE 37 1HG2 ILE 37 -8.437 0.780 -4.108 308 HG22 ILE 37 2HG2 ILE 37 -8.172 1.952 -5.398 309 HG23 ILE 37 3HG2 ILE 37 -9.814 1.472 -4.975 310 HD11 ILE 37 3HD1 ILE 37 -11.928 1.999 -1.952 311 HD12 ILE 37 1HD1 ILE 37 -11.315 1.313 -3.460 312 HD13 ILE 37 2HD1 ILE 37 -11.704 3.031 -3.365 313 H ALA 38 H ALA 38 -5.451 1.839 -3.822 314 HA ALA 38 HA ALA 38 -4.641 3.792 -5.898 315 HB1 ALA 38 3HB ALA 38 -2.798 2.293 -3.997 316 HB2 ALA 38 1HB ALA 38 -3.171 4.016 -3.930 317 HB3 ALA 38 2HB ALA 38 -2.289 3.361 -5.308 318 H GLU 39 H GLU 39 -3.342 2.846 -7.596 319 HA GLU 39 HA GLU 39 -4.195 0.099 -8.285 320 HB2 GLU 39 2HB GLU 39 -2.956 2.202 -10.128 321 HB3 GLU 39 3HB GLU 39 -3.640 0.657 -10.612 322 HG2 GLU 39 2HG GLU 39 -5.384 2.048 -11.177 323 HG3 GLU 39 3HG GLU 39 -5.859 1.647 -9.530 324 H ILE 40 H ILE 40 -2.705 -1.494 -8.053 325 HA ILE 40 HA ILE 40 0.059 -0.899 -7.446 326 HB ILE 40 HB ILE 40 -1.325 -3.598 -7.793 327 HG12 ILE 40 2HG1 ILE 40 -0.653 -1.982 -5.288 328 HG13 ILE 40 3HG1 ILE 40 -2.264 -2.287 -5.923 329 HG21 ILE 40 1HG2 ILE 40 0.637 -4.581 -6.639 330 HG22 ILE 40 2HG2 ILE 40 1.424 -3.000 -6.619 331 HG23 ILE 40 3HG2 ILE 40 1.108 -3.807 -8.156 332 HD11 ILE 40 3HD1 ILE 40 -1.986 -4.672 -5.419 333 HD12 ILE 40 1HD1 ILE 40 -1.821 -3.648 -3.994 334 HD13 ILE 40 2HD1 ILE 40 -0.386 -4.328 -4.755 335 H ARG 41 H ARG 41 1.421 -0.441 -8.975 336 HA ARG 41 HA ARG 41 1.057 -1.071 -11.769 337 HB2 ARG 41 2HB ARG 41 3.338 0.377 -10.344 338 HB3 ARG 41 3HB ARG 41 3.061 0.357 -12.086 339 HG2 ARG 41 2HG ARG 41 0.838 1.498 -11.662 340 HG3 ARG 41 3HG ARG 41 1.306 1.637 -9.967 341 HD2 ARG 41 2HD ARG 41 2.799 2.851 -12.317 342 HD3 ARG 41 3HD ARG 41 1.728 3.722 -11.217 343 HE ARG 41 HE ARG 41 3.531 2.645 -9.522 344 HH11 ARG 41 1HH1 ARG 41 3.919 4.580 -12.424 345 HH12 ARG 41 2HH1 ARG 41 5.402 5.315 -11.904 346 HH21 ARG 41 1HH2 ARG 41 5.460 3.650 -8.822 347 HH22 ARG 41 2HH2 ARG 41 6.283 4.770 -9.857 348 H ASN 42 H ASN 42 3.234 -2.077 -9.147 349 HA ASN 42 HA ASN 42 4.154 -4.371 -10.753 350 HB2 ASN 42 2HB ASN 42 5.855 -2.452 -10.896 351 HB3 ASN 42 3HB ASN 42 6.112 -2.630 -9.167 352 HD21 ASN 42 1HD2 ASN 42 8.044 -2.929 -11.291 353 HD22 ASN 42 2HD2 ASN 42 8.650 -4.545 -11.199 354 H VAL 43 H VAL 43 4.448 -6.214 -9.517 355 HA VAL 43 HA VAL 43 3.403 -6.108 -6.770 356 HB VAL 43 HB VAL 43 3.038 -8.531 -6.992 357 HG11 VAL 43 1HG1 VAL 43 1.318 -8.476 -8.762 358 HG12 VAL 43 2HG1 VAL 43 2.020 -6.993 -9.411 359 HG13 VAL 43 3HG1 VAL 43 1.288 -6.992 -7.805 360 HG21 VAL 43 3HG2 VAL 43 4.969 -9.146 -8.397 361 HG22 VAL 43 1HG2 VAL 43 4.274 -8.277 -9.764 362 HG23 VAL 43 2HG2 VAL 43 3.465 -9.716 -9.128 363 H VAL 44 H VAL 44 6.392 -6.827 -8.464 364 HA VAL 44 HA VAL 44 7.635 -7.987 -6.071 365 HB VAL 44 HB VAL 44 9.583 -8.505 -7.454 366 HG11 VAL 44 1HG1 VAL 44 7.001 -9.365 -8.818 367 HG12 VAL 44 2HG1 VAL 44 7.762 -10.138 -7.426 368 HG13 VAL 44 3HG1 VAL 44 8.572 -10.156 -8.992 369 HG21 VAL 44 3HG2 VAL 44 9.641 -8.082 -9.897 370 HG22 VAL 44 1HG2 VAL 44 9.605 -6.574 -8.980 371 HG23 VAL 44 2HG2 VAL 44 8.143 -7.157 -9.777 372 H GLU 45 H GLU 45 9.551 -7.128 -5.166 373 HA GLU 45 HA GLU 45 9.424 -4.195 -5.017 374 HB2 GLU 45 2HB GLU 45 10.674 -4.555 -2.836 375 HB3 GLU 45 3HB GLU 45 9.047 -5.213 -2.921 376 HG2 GLU 45 2HG GLU 45 10.050 -7.482 -3.376 377 HG3 GLU 45 3HG GLU 45 11.642 -6.777 -3.097 378 H ASN 46 H ASN 46 10.673 -3.591 -6.772 379 HA ASN 46 HA ASN 46 12.499 -2.592 -7.662 380 HB2 ASN 46 2HB ASN 46 13.229 -2.161 -5.306 381 HB3 ASN 46 3HB ASN 46 14.090 -3.694 -5.305 382 HD21 ASN 46 1HD2 ASN 46 16.123 -2.862 -5.018 383 HD22 ASN 46 2HD2 ASN 46 16.927 -1.833 -6.147 384 H THR 47 H THR 47 12.410 -5.961 -7.155 385 HA THR 47 HA THR 47 14.972 -6.773 -8.019 386 HB THR 47 HB THR 47 13.852 -9.062 -8.127 387 HG1 THR 47 HG1 THR 47 11.737 -8.390 -8.637 388 HG21 THR 47 3HG2 THR 47 13.452 -9.244 -5.706 389 HG22 THR 47 1HG2 THR 47 13.352 -7.486 -5.568 390 HG23 THR 47 2HG2 THR 47 14.878 -8.253 -6.015 391 H ALA 48 H ALA 48 15.565 -6.094 -10.015 392 HA ALA 48 HA ALA 48 13.793 -5.951 -12.279 393 HB1 ALA 48 3HB ALA 48 15.758 -5.117 -13.491 394 HB2 ALA 48 1HB ALA 48 16.801 -5.559 -12.135 395 HB3 ALA 48 2HB ALA 48 15.585 -4.294 -11.939 396 H ASN 49 H ASN 49 16.319 -8.163 -11.155 397 HA ASN 49 HA ASN 49 15.827 -9.920 -13.487 398 HB2 ASN 49 2HB ASN 49 18.081 -10.896 -13.092 399 HB3 ASN 49 3HB ASN 49 18.148 -9.178 -13.454 400 HD21 ASN 49 1HD2 ASN 49 18.729 -7.722 -11.752 401 HD22 ASN 49 2HD2 ASN 49 19.533 -8.277 -10.325 402 HA PRO 50 HA PRO 50 13.917 -12.551 -10.285 403 HB2 PRO 50 2HB PRO 50 13.301 -14.431 -12.505 404 HB3 PRO 50 3HB PRO 50 12.191 -13.534 -11.460 405 HG2 PRO 50 2HG PRO 50 12.516 -12.906 -14.083 406 HG3 PRO 50 3HG PRO 50 12.167 -11.667 -12.858 407 HD2 PRO 50 2HD PRO 50 14.833 -12.412 -14.096 408 HD3 PRO 50 3HD PRO 50 14.139 -10.797 -13.801 409 H HIS 51 H HIS 51 14.993 -13.940 -9.023 410 HA HIS 51 HA HIS 51 16.186 -16.351 -9.995 411 HB2 HIS 51 2HB HIS 51 18.498 -15.991 -9.159 412 HB3 HIS 51 3HB HIS 51 18.099 -14.862 -10.443 413 HD1 HIS 51 HD1 HIS 51 17.636 -12.333 -9.650 414 HD2 HIS 51 HD2 HIS 51 19.347 -14.838 -6.816 415 HE1 HIS 51 HE1 HIS 51 18.571 -10.821 -7.885 416 HE2 HIS 51 HE2 HIS 51 19.759 -12.351 -6.291 417 H PHE 52 H PHE 52 15.931 -14.119 -7.196 418 HA PHE 52 HA PHE 52 15.393 -16.381 -5.382 419 HB2 PHE 52 2HB PHE 52 15.518 -13.389 -4.846 420 HB3 PHE 52 3HB PHE 52 15.139 -14.588 -3.616 421 HD1 PHE 52 HD2 PHE 52 17.200 -16.704 -4.417 422 HD2 PHE 52 HD1 PHE 52 17.541 -12.456 -3.937 423 HE1 PHE 52 HE2 PHE 52 19.586 -16.949 -3.896 424 HE2 PHE 52 HE1 PHE 52 19.929 -12.722 -3.412 425 HZ PHE 52 HZ PHE 52 20.955 -14.967 -3.386 426 H VAL 53 H VAL 53 13.810 -13.399 -6.534 427 HA VAL 53 HA VAL 53 11.145 -14.575 -6.102 428 HB VAL 53 HB VAL 53 10.202 -12.431 -6.734 429 HG11 VAL 53 1HG1 VAL 53 11.139 -10.922 -5.027 430 HG12 VAL 53 2HG1 VAL 53 12.574 -11.944 -4.893 431 HG13 VAL 53 3HG1 VAL 53 10.992 -12.570 -4.419 432 HG21 VAL 53 3HG2 VAL 53 11.673 -11.841 -8.610 433 HG22 VAL 53 1HG2 VAL 53 12.995 -11.506 -7.487 434 HG23 VAL 53 2HG2 VAL 53 11.545 -10.501 -7.470 435 H ARG 54 H ARG 54 9.602 -14.440 -7.989 436 HA ARG 54 HA ARG 54 10.499 -14.431 -10.687 437 HB2 ARG 54 2HB ARG 54 11.459 -16.669 -9.576 438 HB3 ARG 54 3HB ARG 54 9.824 -17.264 -9.781 439 HG2 ARG 54 2HG ARG 54 11.554 -16.229 -12.050 440 HG3 ARG 54 3HG ARG 54 11.465 -17.919 -11.577 441 HD2 ARG 54 2HD ARG 54 9.203 -16.225 -12.658 442 HD3 ARG 54 3HD ARG 54 10.051 -17.523 -13.505 443 HE ARG 54 HE ARG 54 9.087 -18.776 -11.307 444 HH11 ARG 54 1HH1 ARG 54 7.535 -16.803 -13.767 445 HH12 ARG 54 2HH1 ARG 54 6.002 -17.592 -13.609 446 HH21 ARG 54 1HH2 ARG 54 7.074 -19.801 -11.108 447 HH22 ARG 54 2HH2 ARG 54 5.744 -19.300 -12.095 448 H ARG 55 H ARG 55 8.232 -15.393 -8.233 449 HA ARG 55 HA ARG 55 5.940 -15.971 -9.792 450 HB2 ARG 55 2HB ARG 55 6.003 -14.944 -6.917 451 HB3 ARG 55 3HB ARG 55 4.699 -15.849 -7.681 452 HG2 ARG 55 2HG ARG 55 6.051 -17.853 -7.768 453 HG3 ARG 55 3HG ARG 55 7.477 -16.973 -7.215 454 HD2 ARG 55 2HD ARG 55 4.950 -17.482 -5.598 455 HD3 ARG 55 3HD ARG 55 6.504 -18.293 -5.389 456 HE ARG 55 HE ARG 55 6.421 -15.372 -5.090 457 HH11 ARG 55 1HH1 ARG 55 6.670 -18.496 -3.479 458 HH12 ARG 55 2HH1 ARG 55 7.238 -17.810 -1.991 459 HH21 ARG 55 1HH2 ARG 55 7.153 -14.509 -3.144 460 HH22 ARG 55 2HH2 ARG 55 7.524 -15.545 -1.804 461 H ASN 56 H ASN 56 3.962 -14.719 -9.962 462 HA ASN 56 HA ASN 56 4.374 -11.789 -10.143 463 HB2 ASN 56 2HB ASN 56 2.660 -11.741 -11.857 464 HB3 ASN 56 3HB ASN 56 3.782 -13.026 -12.283 465 HD21 ASN 56 1HD2 ASN 56 0.532 -12.254 -11.379 466 HD22 ASN 56 2HD2 ASN 56 -0.128 -13.841 -11.567 467 H ILE 57 H ILE 57 3.815 -13.073 -7.628 468 HA ILE 57 HA ILE 57 1.004 -12.310 -7.067 469 HB ILE 57 HB ILE 57 1.258 -14.798 -6.963 470 HG12 ILE 57 2HG1 ILE 57 0.762 -13.531 -4.224 471 HG13 ILE 57 3HG1 ILE 57 -0.423 -13.644 -5.516 472 HG21 ILE 57 1HG2 ILE 57 3.223 -14.321 -4.686 473 HG22 ILE 57 2HG2 ILE 57 3.626 -14.953 -6.282 474 HG23 ILE 57 3HG2 ILE 57 2.597 -15.890 -5.201 475 HD11 ILE 57 3HD1 ILE 57 -0.392 -16.082 -5.324 476 HD12 ILE 57 1HD1 ILE 57 -0.828 -15.291 -3.811 477 HD13 ILE 57 2HD1 ILE 57 0.791 -15.958 -4.016 478 H ILE 58 H ILE 58 0.627 -11.267 -5.148 479 HA ILE 58 HA ILE 58 2.866 -9.942 -3.826 480 HB ILE 58 HB ILE 58 -0.158 -9.532 -3.600 481 HG12 ILE 58 2HG1 ILE 58 1.943 -7.864 -5.062 482 HG13 ILE 58 3HG1 ILE 58 0.833 -8.978 -5.845 483 HG21 ILE 58 1HG2 ILE 58 0.980 -8.806 -1.532 484 HG22 ILE 58 2HG2 ILE 58 0.363 -7.415 -2.426 485 HG23 ILE 58 3HG2 ILE 58 2.083 -7.809 -2.485 486 HD11 ILE 58 3HD1 ILE 58 0.082 -6.469 -4.368 487 HD12 ILE 58 1HD1 ILE 58 -1.040 -7.592 -5.141 488 HD13 ILE 58 2HD1 ILE 58 0.124 -6.698 -6.116 489 H THR 59 H THR 59 3.299 -10.169 -1.655 490 HA THR 59 HA THR 59 1.750 -12.072 -0.014 491 HB THR 59 HB THR 59 3.625 -13.389 -0.739 492 HG1 THR 59 HG1 THR 59 3.355 -13.767 1.384 493 HG21 THR 59 3HG2 THR 59 5.489 -11.145 0.103 494 HG22 THR 59 1HG2 THR 59 5.127 -11.611 -1.564 495 HG23 THR 59 2HG2 THR 59 5.980 -12.728 -0.500 496 H ARG 60 H ARG 60 2.534 -11.831 2.375 497 HA ARG 60 HA ARG 60 2.042 -9.098 3.123 498 HB2 ARG 60 2HB ARG 60 1.209 -11.179 4.356 499 HB3 ARG 60 3HB ARG 60 2.839 -11.376 4.981 500 HG2 ARG 60 2HG ARG 60 2.625 -9.068 6.017 501 HG3 ARG 60 3HG ARG 60 0.931 -9.068 5.506 502 HD2 ARG 60 2HD ARG 60 2.279 -10.919 7.486 503 HD3 ARG 60 3HD ARG 60 0.980 -9.766 7.798 504 HE ARG 60 HE ARG 60 0.033 -11.591 5.909 505 HH11 ARG 60 1HH1 ARG 60 0.868 -11.554 9.319 506 HH12 ARG 60 2HH1 ARG 60 0.056 -13.050 9.647 507 HH21 ARG 60 1HH2 ARG 60 -1.022 -13.552 6.368 508 HH22 ARG 60 2HH2 ARG 60 -1.027 -14.165 7.992 509 H GLY 61 H GLY 61 3.505 -7.566 3.853 510 HA2 GLY 61 2HA GLY 61 5.530 -6.623 4.515 511 HA3 GLY 61 3HA GLY 61 6.244 -8.226 4.566 512 H ALA 62 H ALA 62 4.795 -8.108 1.629 513 HA ALA 62 HA ALA 62 7.260 -7.613 0.191 514 HB1 ALA 62 3HB ALA 62 4.475 -8.202 -0.872 515 HB2 ALA 62 1HB ALA 62 5.750 -9.386 -0.584 516 HB3 ALA 62 2HB ALA 62 5.955 -8.160 -1.833 517 H VAL 63 H VAL 63 7.832 -5.754 -0.789 518 HA VAL 63 HA VAL 63 6.171 -3.397 -0.476 519 HB VAL 63 HB VAL 63 8.871 -3.591 -1.884 520 HG11 VAL 63 1HG1 VAL 63 9.065 -1.193 -1.374 521 HG12 VAL 63 2HG1 VAL 63 7.461 -1.208 -0.637 522 HG13 VAL 63 3HG1 VAL 63 7.644 -1.529 -2.365 523 HG21 VAL 63 3HG2 VAL 63 9.953 -2.947 0.220 524 HG22 VAL 63 1HG2 VAL 63 9.115 -4.489 0.404 525 HG23 VAL 63 2HG2 VAL 63 8.404 -3.009 1.059 526 H VAL 64 H VAL 64 4.660 -3.020 -1.916 527 HA VAL 64 HA VAL 64 4.918 -3.865 -4.724 528 HB VAL 64 HB VAL 64 2.491 -3.538 -4.921 529 HG11 VAL 64 1HG1 VAL 64 1.698 -5.368 -3.473 530 HG12 VAL 64 2HG1 VAL 64 3.167 -5.244 -2.496 531 HG13 VAL 64 3HG1 VAL 64 3.267 -5.739 -4.189 532 HG21 VAL 64 3HG2 VAL 64 2.138 -1.664 -3.366 533 HG22 VAL 64 1HG2 VAL 64 2.484 -2.712 -1.985 534 HG23 VAL 64 2HG2 VAL 64 1.049 -2.995 -2.977 535 H GLU 65 H GLU 65 4.626 -2.364 -6.351 536 HA GLU 65 HA GLU 65 5.131 0.447 -5.667 537 HB2 GLU 65 2HB GLU 65 6.695 -0.657 -7.270 538 HB3 GLU 65 3HB GLU 65 5.341 -1.002 -8.341 539 HG2 GLU 65 2HG GLU 65 6.616 0.941 -9.121 540 HG3 GLU 65 3HG GLU 65 4.968 1.398 -8.684 541 H THR 66 H THR 66 3.523 1.903 -5.929 542 HA THR 66 HA THR 66 1.090 1.134 -7.449 543 HB THR 66 HB THR 66 -0.318 2.295 -5.770 544 HG1 THR 66 HG1 THR 66 1.881 2.451 -3.997 545 HG21 THR 66 3HG2 THR 66 0.030 -0.118 -5.395 546 HG22 THR 66 1HG2 THR 66 -0.102 0.737 -3.859 547 HG23 THR 66 2HG2 THR 66 1.482 0.223 -4.447 548 H ASN 67 H ASN 67 -0.277 3.275 -7.729 549 HA ASN 67 HA ASN 67 1.344 5.173 -9.170 550 HB2 ASN 67 2HB ASN 67 -0.787 6.355 -9.630 551 HB3 ASN 67 3HB ASN 67 -0.921 4.632 -9.961 552 HD21 ASN 67 1HD2 ASN 67 -2.977 6.670 -9.301 553 HD22 ASN 67 2HD2 ASN 67 -3.858 6.009 -7.969 554 H LEU 68 H LEU 68 0.508 4.854 -5.867 555 HA LEU 68 HA LEU 68 0.866 7.705 -5.253 556 HB2 LEU 68 2HB LEU 68 0.332 5.336 -3.426 557 HB3 LEU 68 3HB LEU 68 0.421 7.014 -2.909 558 HG LEU 68 HG LEU 68 -1.710 5.785 -4.710 559 HD11 LEU 68 1HD1 LEU 68 -2.028 5.237 -2.344 560 HD12 LEU 68 2HD1 LEU 68 -3.270 6.354 -2.898 561 HD13 LEU 68 3HD1 LEU 68 -1.935 6.951 -1.912 562 HD21 LEU 68 3HD2 LEU 68 -2.803 7.993 -4.713 563 HD22 LEU 68 1HD2 LEU 68 -1.224 8.062 -5.496 564 HD23 LEU 68 2HD2 LEU 68 -1.426 8.688 -3.858 565 H GLY 69 H GLY 69 2.387 4.545 -4.440 566 HA2 GLY 69 2HA GLY 69 5.026 5.247 -4.868 567 HA3 GLY 69 3HA GLY 69 4.691 5.688 -3.196 568 H ASN 70 H ASN 70 6.123 4.196 -2.381 569 HA ASN 70 HA ASN 70 5.880 1.334 -2.985 570 HB2 ASN 70 2HB ASN 70 7.748 2.804 -1.058 571 HB3 ASN 70 3HB ASN 70 7.868 1.103 -1.522 572 HD21 ASN 70 1HD2 ASN 70 7.516 1.168 -4.239 573 HD22 ASN 70 2HD2 ASN 70 8.770 2.096 -4.975 574 H VAL 71 H VAL 71 4.443 0.114 -1.839 575 HA VAL 71 HA VAL 71 3.689 0.925 0.922 576 HB VAL 71 HB VAL 71 1.898 -0.572 -1.061 577 HG11 VAL 71 1HG1 VAL 71 1.276 -0.831 1.307 578 HG12 VAL 71 2HG1 VAL 71 0.057 0.103 0.436 579 HG13 VAL 71 3HG1 VAL 71 1.206 0.923 1.497 580 HG21 VAL 71 3HG2 VAL 71 1.897 2.427 -0.555 581 HG22 VAL 71 1HG2 VAL 71 0.705 1.544 -1.516 582 HG23 VAL 71 2HG2 VAL 71 2.385 1.621 -2.048 583 H ARG 72 H ARG 72 3.574 -0.782 2.464 584 HA ARG 72 HA ARG 72 4.335 -3.498 1.534 585 HB2 ARG 72 2HB ARG 72 5.093 -2.003 4.027 586 HB3 ARG 72 3HB ARG 72 4.734 -3.717 4.233 587 HG2 ARG 72 2HG ARG 72 6.391 -4.172 2.346 588 HG3 ARG 72 3HG ARG 72 6.857 -2.476 2.481 589 HD2 ARG 72 2HD ARG 72 7.566 -2.827 4.799 590 HD3 ARG 72 3HD ARG 72 6.980 -4.489 4.748 591 HE ARG 72 HE ARG 72 8.694 -4.889 2.986 592 HH11 ARG 72 1HH1 ARG 72 9.195 -2.270 5.265 593 HH12 ARG 72 2HH1 ARG 72 10.920 -2.328 5.127 594 HH21 ARG 72 1HH2 ARG 72 10.952 -4.916 2.791 595 HH22 ARG 72 2HH2 ARG 72 11.910 -3.804 3.701 596 H VAL 73 H VAL 73 3.002 -5.122 1.915 597 HA VAL 73 HA VAL 73 0.266 -4.459 2.628 598 HB VAL 73 HB VAL 73 1.454 -7.126 1.748 599 HG11 VAL 73 1HG1 VAL 73 -1.439 -6.181 1.740 600 HG12 VAL 73 2HG1 VAL 73 -0.750 -7.388 2.827 601 HG13 VAL 73 3HG1 VAL 73 -0.853 -7.721 1.099 602 HG21 VAL 73 3HG2 VAL 73 1.892 -5.423 0.043 603 HG22 VAL 73 1HG2 VAL 73 0.198 -4.920 0.064 604 HG23 VAL 73 2HG2 VAL 73 0.636 -6.524 -0.521 605 H THR 74 H THR 74 0.173 -4.148 4.826 606 HA THR 74 HA THR 74 1.317 -5.864 6.794 607 HB THR 74 HB THR 74 -0.177 -4.536 8.374 608 HG1 THR 74 HG1 THR 74 -1.346 -2.821 7.474 609 HG21 THR 74 3HG2 THR 74 2.126 -3.776 7.870 610 HG22 THR 74 1HG2 THR 74 1.030 -2.405 8.083 611 HG23 THR 74 2HG2 THR 74 1.530 -2.892 6.464 612 H SER 75 H SER 75 -1.720 -5.785 5.111 613 HA SER 75 HA SER 75 -2.983 -7.819 6.803 614 HB2 SER 75 2HB SER 75 -3.991 -6.341 4.340 615 HB3 SER 75 3HB SER 75 -4.950 -7.459 5.320 616 HG SER 75 HG SER 75 -4.828 -6.077 7.028 617 H ARG 76 H ARG 76 -4.385 -9.351 5.087 618 HA ARG 76 HA ARG 76 -2.360 -10.966 3.699 619 HB2 ARG 76 2HB ARG 76 -5.236 -11.592 4.517 620 HB3 ARG 76 3HB ARG 76 -4.192 -12.701 3.635 621 HG2 ARG 76 2HG ARG 76 -4.199 -13.399 5.915 622 HG3 ARG 76 3HG ARG 76 -2.619 -12.680 5.609 623 HD2 ARG 76 2HD ARG 76 -3.406 -10.584 6.705 624 HD3 ARG 76 3HD ARG 76 -4.947 -11.371 7.063 625 HE ARG 76 HE ARG 76 -3.081 -13.053 8.101 626 HH11 ARG 76 1HH1 ARG 76 -3.792 -9.646 8.617 627 HH12 ARG 76 2HH1 ARG 76 -3.233 -9.659 10.255 628 HH21 ARG 76 1HH2 ARG 76 -2.354 -13.049 10.264 629 HH22 ARG 76 2HH2 ARG 76 -2.427 -11.581 11.182 630 HA PRO 77 HA PRO 77 -3.811 -8.647 0.094 631 HB2 PRO 77 2HB PRO 77 -2.310 -9.949 -1.840 632 HB3 PRO 77 3HB PRO 77 -1.659 -8.719 -0.748 633 HG2 PRO 77 2HG PRO 77 -1.524 -11.727 -0.498 634 HG3 PRO 77 3HG PRO 77 -0.235 -10.528 -0.250 635 HD2 PRO 77 2HD PRO 77 -1.552 -11.609 1.842 636 HD3 PRO 77 3HD PRO 77 -1.044 -9.904 1.860 637 H GLY 78 H GLY 78 -5.971 -9.269 0.046 638 HA2 GLY 78 2HA GLY 78 -7.616 -9.897 -1.561 639 HA3 GLY 78 3HA GLY 78 -6.674 -11.316 -1.981 640 H GLN 79 H GLN 79 -6.291 -11.853 1.051 641 HA GLN 79 HA GLN 79 -8.644 -13.479 1.422 642 HB2 GLN 79 2HB GLN 79 -6.403 -12.871 3.384 643 HB3 GLN 79 3HB GLN 79 -7.685 -14.037 3.667 644 HG2 GLN 79 2HG GLN 79 -6.888 -15.282 1.612 645 HG3 GLN 79 3HG GLN 79 -5.506 -14.192 1.563 646 HE21 GLN 79 1HE2 GLN 79 -5.524 -17.093 1.901 647 HE22 GLN 79 2HE2 GLN 79 -4.747 -17.417 3.410 648 H ASP 80 H ASP 80 -7.536 -10.358 2.611 649 HA ASP 80 HA ASP 80 -9.800 -9.855 4.336 650 HB2 ASP 80 2HB ASP 80 -7.700 -8.017 3.091 651 HB3 ASP 80 3HB ASP 80 -8.961 -7.438 4.175 652 H GLY 81 H GLY 81 -9.884 -10.408 1.117 653 HA2 GLY 81 2HA GLY 81 -11.564 -9.952 -0.422 654 HA3 GLY 81 3HA GLY 81 -12.083 -8.569 0.532 655 H VAL 82 H VAL 82 -9.404 -7.527 0.791 656 HA VAL 82 HA VAL 82 -8.629 -6.706 -1.902 657 HB VAL 82 HB VAL 82 -10.319 -5.042 -1.076 658 HG11 VAL 82 1HG1 VAL 82 -9.988 -5.220 1.322 659 HG12 VAL 82 2HG1 VAL 82 -9.820 -3.543 0.805 660 HG13 VAL 82 3HG1 VAL 82 -8.382 -4.496 1.181 661 HG21 VAL 82 3HG2 VAL 82 -9.034 -2.975 -1.489 662 HG22 VAL 82 1HG2 VAL 82 -8.582 -4.249 -2.617 663 HG23 VAL 82 2HG2 VAL 82 -7.521 -3.860 -1.261 664 H ILE 83 H ILE 83 -6.511 -5.546 -1.807 665 HA ILE 83 HA ILE 83 -4.678 -6.686 0.151 666 HB ILE 83 HB ILE 83 -4.146 -4.795 -2.199 667 HG12 ILE 83 2HG1 ILE 83 -4.019 -7.853 -2.172 668 HG13 ILE 83 3HG1 ILE 83 -5.270 -6.902 -2.955 669 HG21 ILE 83 1HG2 ILE 83 -2.245 -6.633 -0.690 670 HG22 ILE 83 2HG2 ILE 83 -2.290 -4.871 -0.578 671 HG23 ILE 83 3HG2 ILE 83 -1.833 -5.645 -2.093 672 HD11 ILE 83 3HD1 ILE 83 -3.616 -5.991 -4.490 673 HD12 ILE 83 1HD1 ILE 83 -3.691 -7.750 -4.550 674 HD13 ILE 83 2HD1 ILE 83 -2.359 -6.956 -3.708 675 H ASN 84 H ASN 84 -3.846 -5.455 1.875 676 HA ASN 84 HA ASN 84 -4.445 -2.551 2.008 677 HB2 ASN 84 2HB ASN 84 -4.914 -4.560 4.263 678 HB3 ASN 84 3HB ASN 84 -5.041 -2.817 4.427 679 HD21 ASN 84 1HD2 ASN 84 -6.996 -5.040 4.807 680 HD22 ASN 84 2HD2 ASN 84 -8.361 -4.599 3.843 681 H GLY 85 H GLY 85 -2.912 -1.333 3.153 682 HA2 GLY 85 2HA GLY 85 -0.746 -2.498 4.605 683 HA3 GLY 85 3HA GLY 85 -0.258 -2.172 2.946 684 H VAL 86 H VAL 86 1.323 -0.874 4.265 685 HA VAL 86 HA VAL 86 0.301 1.838 4.912 686 HB VAL 86 HB VAL 86 2.245 2.040 6.526 687 HG11 VAL 86 1HG1 VAL 86 0.240 -0.151 7.178 688 HG12 VAL 86 2HG1 VAL 86 -0.022 1.588 7.364 689 HG13 VAL 86 3HG1 VAL 86 1.185 0.764 8.356 690 HG21 VAL 86 3HG2 VAL 86 3.689 0.246 5.615 691 HG22 VAL 86 1HG2 VAL 86 2.513 -0.970 6.118 692 HG23 VAL 86 2HG2 VAL 86 3.370 -0.016 7.332 693 H LEU 87 H LEU 87 1.346 3.551 3.987 694 HA LEU 87 HA LEU 87 3.038 3.072 1.735 695 HB2 LEU 87 2HB LEU 87 1.334 4.888 1.828 696 HB3 LEU 87 3HB LEU 87 2.295 5.710 3.045 697 HG LEU 87 HG LEU 87 4.157 5.936 1.341 698 HD11 LEU 87 1HD1 LEU 87 2.112 4.859 -0.627 699 HD12 LEU 87 2HD1 LEU 87 3.614 4.070 -0.142 700 HD13 LEU 87 3HD1 LEU 87 3.669 5.579 -1.049 701 HD21 LEU 87 3HD2 LEU 87 2.614 7.793 1.754 702 HD22 LEU 87 1HD2 LEU 87 1.513 7.167 0.527 703 HD23 LEU 87 2HD2 LEU 87 3.115 7.749 0.063 704 H ILE 88 H ILE 88 5.108 2.502 2.063 705 HA ILE 88 HA ILE 88 6.795 3.900 4.057 706 HB ILE 88 HB ILE 88 8.408 2.076 3.776 707 HG12 ILE 88 2HG1 ILE 88 6.498 0.892 1.698 708 HG13 ILE 88 3HG1 ILE 88 8.052 1.637 1.337 709 HG21 ILE 88 1HG2 ILE 88 7.087 0.172 4.667 710 HG22 ILE 88 2HG2 ILE 88 5.597 0.960 4.147 711 HG23 ILE 88 3HG2 ILE 88 6.592 1.699 5.402 712 HD11 ILE 88 3HD1 ILE 88 9.191 -0.123 2.564 713 HD12 ILE 88 1HD1 ILE 88 8.178 -0.773 1.279 714 HD13 ILE 88 2HD1 ILE 88 7.636 -0.866 2.954 715 H ARG 89 H ARG 89 9.193 3.991 3.129 716 HA ARG 89 HA ARG 89 9.226 5.052 0.361 717 HB2 ARG 89 2HB ARG 89 10.655 6.255 2.784 718 HB3 ARG 89 3HB ARG 89 11.013 6.700 1.126 719 HG2 ARG 89 2HG ARG 89 9.675 8.451 1.918 720 HG3 ARG 89 3HG ARG 89 8.553 7.471 0.975 721 HD2 ARG 89 2HD ARG 89 7.558 6.553 2.970 722 HD3 ARG 89 3HD ARG 89 8.845 7.221 3.986 723 HE ARG 89 HE ARG 89 7.068 9.025 2.471 724 HH11 ARG 89 1HH1 ARG 89 8.139 7.829 5.603 725 HH12 ARG 89 2HH1 ARG 89 7.475 9.173 6.479 726 HH21 ARG 89 1HH2 ARG 89 6.233 10.796 3.637 727 HH22 ARG 89 2HH2 ARG 89 6.418 10.870 5.363 728 H GLU 90 H GLU 90 9.728 2.492 0.537 729 HA GLU 90 HA GLU 90 12.290 1.587 1.333 730 HB2 GLU 90 2HB GLU 90 10.162 0.231 0.655 731 HB3 GLU 90 3HB GLU 90 10.727 0.391 -0.991 732 HG2 GLU 90 2HG GLU 90 12.369 -0.890 1.215 733 HG3 GLU 90 3HG GLU 90 11.269 -1.785 0.183 734 H LEU 91 H LEU 91 11.081 2.247 -1.937 735 HA LEU 91 HA LEU 91 13.737 3.127 -2.873 736 HB2 LEU 91 2HB LEU 91 11.119 2.693 -4.401 737 HB3 LEU 91 3HB LEU 91 12.693 3.006 -5.112 738 HG LEU 91 HG LEU 91 11.890 0.472 -3.624 739 HD11 LEU 91 1HD1 LEU 91 12.414 0.913 -6.580 740 HD12 LEU 91 2HD1 LEU 91 10.832 0.660 -5.845 741 HD13 LEU 91 3HD1 LEU 91 12.031 -0.631 -5.814 742 HD21 LEU 91 3HD2 LEU 91 14.517 1.158 -4.990 743 HD22 LEU 91 1HD2 LEU 91 14.079 -0.428 -4.352 744 HD23 LEU 91 2HD2 LEU 91 14.263 0.939 -3.255 745 H GLU 92 H GLU 92 12.630 4.941 -4.864 746 HA GLU 92 HA GLU 92 11.024 6.897 -3.304 747 HB2 GLU 92 2HB GLU 92 13.126 7.429 -5.465 748 HB3 GLU 92 3HB GLU 92 11.994 8.652 -4.887 749 HG2 GLU 92 2HG GLU 92 12.939 8.421 -2.604 750 HG3 GLU 92 3HG GLU 92 14.092 7.237 -3.213 751 H HIS 93 H HIS 93 9.265 7.795 -4.324 752 HA HIS 93 HA HIS 93 8.340 6.617 -6.860 753 HB2 HIS 93 2HB HIS 93 6.831 6.857 -4.793 754 HB3 HIS 93 3HB HIS 93 6.853 8.593 -5.077 755 HD1 HIS 93 HD1 HIS 93 5.791 5.375 -6.815 756 HD2 HIS 93 HD2 HIS 93 4.933 9.447 -6.895 757 HE1 HIS 93 HE1 HIS 93 3.830 5.630 -8.353 758 HE2 HIS 93 HE2 HIS 93 3.297 8.082 -8.355 759 H HIS 94 H HIS 94 10.627 8.309 -6.806 760 HA HIS 94 HA HIS 94 9.869 10.611 -8.472 761 HB2 HIS 94 2HB HIS 94 10.372 11.401 -6.169 762 HB3 HIS 94 3HB HIS 94 11.903 10.533 -6.193 763 HD1 HIS 94 HD1 HIS 94 13.787 11.530 -7.803 764 HD2 HIS 94 HD2 HIS 94 10.434 13.932 -7.318 765 HE1 HIS 94 HE1 HIS 94 14.458 13.800 -8.598 766 HE2 HIS 94 HE2 HIS 94 12.474 15.262 -8.137 767 H HIS 95 H HIS 95 11.268 10.889 -10.176 768 HA HIS 95 HA HIS 95 12.660 8.676 -11.192 769 HB2 HIS 95 2HB HIS 95 12.656 11.606 -12.034 770 HB3 HIS 95 3HB HIS 95 13.550 10.375 -12.921 771 HD1 HIS 95 HD1 HIS 95 12.277 9.813 -14.973 772 HD2 HIS 95 HD2 HIS 95 9.746 10.375 -11.729 773 HE1 HIS 95 HE1 HIS 95 9.960 9.377 -15.838 774 HE2 HIS 95 HE2 HIS 95 8.483 9.552 -13.821 775 H HIS 96 H HIS 96 14.703 7.976 -10.955 776 HA HIS 96 HA HIS 96 16.777 9.610 -9.644 777 HB2 HIS 96 2HB HIS 96 16.595 6.668 -10.406 778 HB3 HIS 96 3HB HIS 96 18.113 7.395 -9.889 779 HD1 HIS 96 HD1 HIS 96 18.509 6.507 -7.615 780 HD2 HIS 96 HD2 HIS 96 14.551 7.684 -8.087 781 HE1 HIS 96 HE1 HIS 96 17.446 6.200 -5.372 782 HE2 HIS 96 HE2 HIS 96 15.116 7.101 -5.635 783 H HIS 97 H HIS 97 18.800 10.022 -10.665 784 HA HIS 97 HA HIS 97 18.730 10.327 -13.533 785 HB2 HIS 97 2HB HIS 97 21.021 10.726 -11.567 786 HB3 HIS 97 3HB HIS 97 21.081 11.141 -13.278 787 HD1 HIS 97 HD1 HIS 97 20.677 12.780 -10.205 788 HD2 HIS 97 HD2 HIS 97 18.650 13.017 -13.825 789 HE1 HIS 97 HE1 HIS 97 19.509 14.999 -10.190 790 HE2 HIS 97 HE2 HIS 97 18.281 15.112 -12.373 791 H HIS 98 H HIS 98 18.536 8.329 -14.456 792 HA HIS 98 HA HIS 98 20.324 6.127 -13.876 793 HB2 HIS 98 2HB HIS 98 18.064 6.544 -15.859 794 HB3 HIS 98 3HB HIS 98 19.121 5.146 -15.992 795 HD1 HIS 98 HD1 HIS 98 17.535 3.315 -15.322 796 HD2 HIS 98 HD2 HIS 98 17.550 6.454 -12.595 797 HE1 HIS 98 HE1 HIS 98 16.177 2.519 -13.357 798 HE2 HIS 98 HE2 HIS 98 16.123 4.468 -11.770 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -19.974 -22.836 -24.303 2 H2 GLY 1 2H GLY 1 -18.490 -22.029 -24.404 3 H3 GLY 1 3H GLY 1 -18.909 -23.177 -25.568 4 HA2 GLY 1 2HA GLY 1 -20.730 -21.789 -26.331 5 HA3 GLY 1 3HA GLY 1 -20.302 -20.603 -25.108 6 H ASP 2 H ASP 2 -19.252 -18.903 -25.971 7 HA ASP 2 HA ASP 2 -16.997 -19.179 -27.773 8 HB2 ASP 2 2HB ASP 2 -18.875 -19.408 -29.366 9 HB3 ASP 2 3HB ASP 2 -19.606 -17.928 -28.758 10 H ARG 3 H ARG 3 -16.074 -16.985 -28.320 11 HA ARG 3 HA ARG 3 -15.847 -15.407 -25.949 12 HB2 ARG 3 2HB ARG 3 -14.740 -14.857 -28.732 13 HB3 ARG 3 3HB ARG 3 -14.210 -14.069 -27.247 14 HG2 ARG 3 2HG ARG 3 -13.932 -17.025 -27.862 15 HG3 ARG 3 3HG ARG 3 -12.646 -15.830 -28.018 16 HD2 ARG 3 2HD ARG 3 -12.742 -15.405 -25.589 17 HD3 ARG 3 3HD ARG 3 -14.053 -16.582 -25.439 18 HE ARG 3 HE ARG 3 -12.276 -18.156 -26.497 19 HH11 ARG 3 1HH1 ARG 3 -11.600 -15.703 -24.064 20 HH12 ARG 3 2HH1 ARG 3 -10.304 -16.605 -23.350 21 HH21 ARG 3 1HH2 ARG 3 -10.582 -19.323 -25.537 22 HH22 ARG 3 2HH2 ARG 3 -9.726 -18.649 -24.184 23 H ARG 4 H ARG 4 -18.205 -15.289 -28.321 24 HA ARG 4 HA ARG 4 -18.688 -12.578 -28.764 25 HB2 ARG 4 2HB ARG 4 -20.928 -13.254 -29.423 26 HB3 ARG 4 3HB ARG 4 -19.777 -14.457 -29.985 27 HG2 ARG 4 2HG ARG 4 -20.434 -15.728 -27.768 28 HG3 ARG 4 3HG ARG 4 -21.857 -14.691 -27.811 29 HD2 ARG 4 2HD ARG 4 -20.982 -16.725 -29.881 30 HD3 ARG 4 3HD ARG 4 -22.414 -16.788 -28.855 31 HE ARG 4 HE ARG 4 -23.386 -15.013 -30.172 32 HH11 ARG 4 1HH1 ARG 4 -20.435 -16.335 -31.568 33 HH12 ARG 4 2HH1 ARG 4 -20.864 -15.901 -33.195 34 HH21 ARG 4 1HH2 ARG 4 -23.933 -14.457 -32.307 35 HH22 ARG 4 2HH2 ARG 4 -22.837 -14.804 -33.608 36 H VAL 5 H VAL 5 -19.467 -10.972 -27.517 37 HA VAL 5 HA VAL 5 -20.694 -11.568 -24.879 38 HB VAL 5 HB VAL 5 -19.258 -9.010 -25.766 39 HG11 VAL 5 1HG1 VAL 5 -20.500 -9.691 -23.060 40 HG12 VAL 5 2HG1 VAL 5 -21.073 -8.474 -24.197 41 HG13 VAL 5 3HG1 VAL 5 -19.518 -8.263 -23.404 42 HG21 VAL 5 3HG2 VAL 5 -17.541 -9.610 -24.109 43 HG22 VAL 5 1HG2 VAL 5 -17.693 -10.871 -25.333 44 HG23 VAL 5 2HG2 VAL 5 -18.396 -11.107 -23.730 45 H ARG 6 H ARG 6 -22.795 -11.734 -25.437 46 HA ARG 6 HA ARG 6 -24.103 -9.716 -27.077 47 HB2 ARG 6 2HB ARG 6 -26.176 -11.062 -26.643 48 HB3 ARG 6 3HB ARG 6 -24.880 -11.941 -27.433 49 HG2 ARG 6 2HG ARG 6 -24.323 -12.946 -25.151 50 HG3 ARG 6 3HG ARG 6 -25.824 -12.222 -24.569 51 HD2 ARG 6 2HD ARG 6 -25.496 -14.355 -26.701 52 HD3 ARG 6 3HD ARG 6 -26.302 -14.503 -25.136 53 HE ARG 6 HE ARG 6 -27.799 -12.615 -26.248 54 HH11 ARG 6 1HH1 ARG 6 -26.750 -15.705 -27.602 55 HH12 ARG 6 2HH1 ARG 6 -28.054 -15.770 -28.748 56 HH21 ARG 6 1HH2 ARG 6 -29.474 -12.729 -27.768 57 HH22 ARG 6 2HH2 ARG 6 -29.576 -14.081 -28.859 58 H LEU 7 H LEU 7 -23.749 -7.879 -25.965 59 HA LEU 7 HA LEU 7 -24.136 -7.468 -23.197 60 HB2 LEU 7 2HB LEU 7 -22.701 -6.119 -24.837 61 HB3 LEU 7 3HB LEU 7 -24.170 -5.314 -25.358 62 HG LEU 7 HG LEU 7 -23.211 -5.241 -22.462 63 HD11 LEU 7 1HD1 LEU 7 -21.409 -4.321 -23.835 64 HD12 LEU 7 2HD1 LEU 7 -22.201 -3.042 -22.920 65 HD13 LEU 7 3HD1 LEU 7 -22.544 -3.233 -24.643 66 HD21 LEU 7 3HD2 LEU 7 -25.092 -3.403 -23.982 67 HD22 LEU 7 1HD2 LEU 7 -24.564 -3.184 -22.310 68 HD23 LEU 7 2HD2 LEU 7 -25.545 -4.579 -22.744 69 H ILE 8 H ILE 8 -25.920 -7.085 -22.076 70 HA ILE 8 HA ILE 8 -28.391 -6.053 -23.300 71 HB ILE 8 HB ILE 8 -28.383 -8.609 -23.275 72 HG12 ILE 8 2HG1 ILE 8 -30.537 -7.138 -23.192 73 HG13 ILE 8 3HG1 ILE 8 -30.680 -8.852 -22.841 74 HG21 ILE 8 1HG2 ILE 8 -28.503 -8.310 -20.263 75 HG22 ILE 8 2HG2 ILE 8 -27.185 -9.004 -21.205 76 HG23 ILE 8 3HG2 ILE 8 -28.753 -9.811 -21.159 77 HD11 ILE 8 3HD1 ILE 8 -32.068 -7.508 -21.364 78 HD12 ILE 8 1HD1 ILE 8 -30.646 -6.632 -20.795 79 HD13 ILE 8 2HD1 ILE 8 -30.819 -8.352 -20.451 80 H ARG 9 H ARG 9 -29.651 -4.844 -21.791 81 HA ARG 9 HA ARG 9 -28.289 -3.890 -19.439 82 HB2 ARG 9 2HB ARG 9 -30.676 -2.688 -19.099 83 HB3 ARG 9 3HB ARG 9 -29.485 -2.102 -20.240 84 HG2 ARG 9 2HG ARG 9 -31.646 -2.019 -21.296 85 HG3 ARG 9 3HG ARG 9 -30.695 -3.277 -22.078 86 HD2 ARG 9 2HD ARG 9 -31.901 -4.983 -20.712 87 HD3 ARG 9 3HD ARG 9 -32.913 -3.695 -20.049 88 HE ARG 9 HE ARG 9 -32.896 -3.768 -22.926 89 HH11 ARG 9 1HH1 ARG 9 -34.455 -5.133 -20.098 90 HH12 ARG 9 2HH1 ARG 9 -35.886 -5.600 -20.961 91 HH21 ARG 9 1HH2 ARG 9 -34.784 -4.384 -24.052 92 HH22 ARG 9 2HH2 ARG 9 -36.070 -5.178 -23.197 93 H THR 10 H THR 10 -28.022 -5.988 -18.491 94 HA THR 10 HA THR 10 -30.254 -7.516 -17.500 95 HB THR 10 HB THR 10 -28.255 -8.688 -18.237 96 HG1 THR 10 HG1 THR 10 -28.174 -9.116 -15.455 97 HG21 THR 10 3HG2 THR 10 -26.497 -7.044 -17.705 98 HG22 THR 10 1HG2 THR 10 -26.119 -8.617 -17.014 99 HG23 THR 10 2HG2 THR 10 -26.737 -7.331 -15.977 100 H ARG 11 H ARG 11 -30.975 -7.650 -15.413 101 HA ARG 11 HA ARG 11 -30.370 -5.344 -13.699 102 HB2 ARG 11 2HB ARG 11 -32.762 -7.245 -13.700 103 HB3 ARG 11 3HB ARG 11 -32.575 -5.853 -12.631 104 HG2 ARG 11 2HG ARG 11 -32.755 -5.760 -15.661 105 HG3 ARG 11 3HG ARG 11 -34.042 -5.322 -14.536 106 HD2 ARG 11 2HD ARG 11 -32.857 -3.397 -13.777 107 HD3 ARG 11 3HD ARG 11 -31.344 -3.929 -14.515 108 HE ARG 11 HE ARG 11 -33.674 -3.230 -16.191 109 HH11 ARG 11 1HH1 ARG 11 -30.338 -2.637 -15.264 110 HH12 ARG 11 2HH1 ARG 11 -30.045 -1.535 -16.566 111 HH21 ARG 11 1HH2 ARG 11 -33.257 -1.789 -17.918 112 HH22 ARG 11 2HH2 ARG 11 -31.704 -1.024 -18.039 113 H GLY 12 H GLY 12 -28.473 -6.088 -12.853 114 HA2 GLY 12 2HA GLY 12 -28.757 -7.752 -10.464 115 HA3 GLY 12 3HA GLY 12 -27.589 -8.294 -11.669 116 H GLY 13 H GLY 13 -26.525 -7.808 -9.315 117 HA2 GLY 13 2HA GLY 13 -25.798 -5.075 -8.782 118 HA3 GLY 13 3HA GLY 13 -25.156 -6.509 -8.003 119 H ASN 14 H ASN 14 -24.927 -4.549 -10.952 120 HA ASN 14 HA ASN 14 -22.247 -5.508 -11.602 121 HB2 ASN 14 2HB ASN 14 -23.979 -4.820 -13.353 122 HB3 ASN 14 3HB ASN 14 -23.748 -3.153 -12.837 123 HD21 ASN 14 1HD2 ASN 14 -22.935 -2.472 -14.823 124 HD22 ASN 14 2HD2 ASN 14 -21.397 -2.968 -15.437 125 H THR 15 H THR 15 -23.668 -3.179 -9.579 126 HA THR 15 HA THR 15 -21.555 -1.235 -9.484 127 HB THR 15 HB THR 15 -23.719 -1.694 -7.379 128 HG1 THR 15 HG1 THR 15 -23.982 -0.972 -10.021 129 HG21 THR 15 3HG2 THR 15 -22.372 0.857 -8.346 130 HG22 THR 15 1HG2 THR 15 -22.071 0.055 -6.814 131 HG23 THR 15 2HG2 THR 15 -23.655 0.769 -7.131 132 H LYS 16 H LYS 16 -20.417 -0.795 -7.275 133 HA LYS 16 HA LYS 16 -18.750 -1.373 -5.886 134 HB2 LYS 16 2HB LYS 16 -20.629 -3.688 -5.261 135 HB3 LYS 16 3HB LYS 16 -19.065 -3.553 -4.472 136 HG2 LYS 16 2HG LYS 16 -20.650 -2.646 -2.957 137 HG3 LYS 16 3HG LYS 16 -19.782 -1.273 -3.643 138 HD2 LYS 16 2HD LYS 16 -21.687 -0.880 -5.202 139 HD3 LYS 16 3HD LYS 16 -22.550 -2.230 -4.462 140 HE2 LYS 16 2HE LYS 16 -22.514 -1.013 -2.281 141 HE3 LYS 16 3HE LYS 16 -21.722 0.348 -3.081 142 HZ1 LYS 16 3HZ LYS 16 -24.141 0.622 -2.835 143 HZ2 LYS 16 1HZ LYS 16 -24.391 -0.716 -3.843 144 HZ3 LYS 16 2HZ LYS 16 -23.639 0.674 -4.449 145 H VAL 17 H VAL 17 -17.945 -1.621 -8.228 146 HA VAL 17 HA VAL 17 -17.229 -4.184 -9.219 147 HB VAL 17 HB VAL 17 -15.919 -1.509 -9.927 148 HG11 VAL 17 1HG1 VAL 17 -16.133 -4.085 -11.534 149 HG12 VAL 17 2HG1 VAL 17 -14.678 -3.469 -10.751 150 HG13 VAL 17 3HG1 VAL 17 -15.401 -2.574 -12.085 151 HG21 VAL 17 3HG2 VAL 17 -18.356 -1.309 -10.197 152 HG22 VAL 17 1HG2 VAL 17 -18.385 -2.763 -11.200 153 HG23 VAL 17 2HG2 VAL 17 -17.548 -1.313 -11.764 154 H ARG 18 H ARG 18 -15.866 -5.466 -8.131 155 HA ARG 18 HA ARG 18 -13.701 -4.723 -6.472 156 HB2 ARG 18 2HB ARG 18 -13.072 -7.039 -6.437 157 HB3 ARG 18 3HB ARG 18 -14.823 -7.003 -6.512 158 HG2 ARG 18 2HG ARG 18 -12.960 -7.624 -8.833 159 HG3 ARG 18 3HG ARG 18 -13.891 -8.802 -7.910 160 HD2 ARG 18 2HD ARG 18 -14.987 -6.635 -9.733 161 HD3 ARG 18 3HD ARG 18 -14.982 -8.372 -10.045 162 HE ARG 18 HE ARG 18 -16.387 -8.243 -7.763 163 HH11 ARG 18 1HH1 ARG 18 -16.733 -6.386 -10.743 164 HH12 ARG 18 2HH1 ARG 18 -18.450 -6.218 -10.574 165 HH21 ARG 18 1HH2 ARG 18 -18.650 -8.003 -7.567 166 HH22 ARG 18 2HH2 ARG 18 -19.528 -7.120 -8.783 167 H LEU 19 H LEU 19 -11.339 -5.788 -7.176 168 HA LEU 19 HA LEU 19 -10.229 -3.968 -8.959 169 HB2 LEU 19 2HB LEU 19 -8.197 -5.622 -8.970 170 HB3 LEU 19 3HB LEU 19 -8.640 -4.760 -7.517 171 HG LEU 19 HG LEU 19 -9.760 -6.851 -6.650 172 HD11 LEU 19 1HD1 LEU 19 -10.269 -8.019 -8.709 173 HD12 LEU 19 2HD1 LEU 19 -9.235 -9.021 -7.697 174 HD13 LEU 19 3HD1 LEU 19 -8.553 -8.179 -9.093 175 HD21 LEU 19 3HD2 LEU 19 -7.465 -6.264 -5.982 176 HD22 LEU 19 1HD2 LEU 19 -6.818 -7.176 -7.348 177 HD23 LEU 19 2HD2 LEU 19 -7.687 -8.008 -6.054 178 H ALA 20 H ALA 20 -11.449 -7.180 -9.663 179 HA ALA 20 HA ALA 20 -12.038 -8.267 -11.539 180 HB1 ALA 20 3HB ALA 20 -13.579 -6.363 -11.631 181 HB2 ALA 20 1HB ALA 20 -13.158 -6.918 -13.252 182 HB3 ALA 20 2HB ALA 20 -12.422 -5.451 -12.601 183 H SER 21 H SER 21 -9.855 -9.069 -11.721 184 HA SER 21 HA SER 21 -8.121 -9.843 -12.931 185 HB2 SER 21 2HB SER 21 -9.622 -9.649 -14.931 186 HB3 SER 21 3HB SER 21 -8.979 -8.030 -15.223 187 HG SER 21 HG SER 21 -6.886 -9.070 -15.431 188 H ASP 22 H ASP 22 -8.438 -6.494 -12.324 189 HA ASP 22 HA ASP 22 -5.612 -5.849 -12.693 190 HB2 ASP 22 2HB ASP 22 -7.565 -4.245 -13.190 191 HB3 ASP 22 3HB ASP 22 -7.853 -4.174 -11.458 192 H THR 23 H THR 23 -4.920 -4.452 -10.458 193 HA THR 23 HA THR 23 -5.489 -6.081 -8.096 194 HB THR 23 HB THR 23 -2.650 -5.604 -9.123 195 HG1 THR 23 HG1 THR 23 -4.464 -7.733 -9.343 196 HG21 THR 23 3HG2 THR 23 -1.921 -7.071 -7.283 197 HG22 THR 23 1HG2 THR 23 -3.589 -7.235 -6.726 198 HG23 THR 23 2HG2 THR 23 -2.777 -5.673 -6.631 199 H ARG 24 H ARG 24 -6.057 -4.691 -6.560 200 HA ARG 24 HA ARG 24 -4.791 -2.011 -6.403 201 HB2 ARG 24 2HB ARG 24 -7.755 -2.670 -6.131 202 HB3 ARG 24 3HB ARG 24 -7.046 -1.106 -5.730 203 HG2 ARG 24 2HG ARG 24 -6.303 -0.835 -8.067 204 HG3 ARG 24 3HG ARG 24 -7.020 -2.393 -8.481 205 HD2 ARG 24 2HD ARG 24 -9.254 -1.540 -7.988 206 HD3 ARG 24 3HD ARG 24 -8.577 -0.006 -7.417 207 HE ARG 24 HE ARG 24 -7.780 -0.604 -10.110 208 HH11 ARG 24 1HH1 ARG 24 -10.492 0.685 -8.271 209 HH12 ARG 24 2HH1 ARG 24 -11.055 1.678 -9.575 210 HH21 ARG 24 1HH2 ARG 24 -8.520 0.729 -11.794 211 HH22 ARG 24 2HH2 ARG 24 -9.942 1.704 -11.569 212 H ILE 25 H ILE 25 -5.025 -0.945 -4.284 213 HA ILE 25 HA ILE 25 -5.123 -2.740 -1.961 214 HB ILE 25 HB ILE 25 -2.814 -2.960 -2.819 215 HG12 ILE 25 2HG1 ILE 25 -2.795 -1.226 -0.299 216 HG13 ILE 25 3HG1 ILE 25 -3.152 -2.945 -0.319 217 HG21 ILE 25 1HG2 ILE 25 -1.278 -1.026 -2.963 218 HG22 ILE 25 2HG2 ILE 25 -2.600 0.062 -2.542 219 HG23 ILE 25 3HG2 ILE 25 -2.651 -0.843 -4.055 220 HD11 ILE 25 3HD1 ILE 25 -0.892 -2.533 0.424 221 HD12 ILE 25 1HD1 ILE 25 -0.518 -1.670 -1.066 222 HD13 ILE 25 2HD1 ILE 25 -0.870 -3.401 -1.111 223 H ASN 26 H ASN 26 -5.430 -1.635 -0.004 224 HA ASN 26 HA ASN 26 -6.157 1.198 -0.124 225 HB2 ASN 26 2HB ASN 26 -6.347 -0.842 2.146 226 HB3 ASN 26 3HB ASN 26 -6.872 0.838 2.269 227 HD21 ASN 26 1HD2 ASN 26 -7.509 -2.262 0.798 228 HD22 ASN 26 2HD2 ASN 26 -9.119 -1.897 0.279 229 H VAL 27 H VAL 27 -4.421 2.487 -0.088 230 HA VAL 27 HA VAL 27 -1.968 1.796 1.333 231 HB VAL 27 HB VAL 27 -2.645 4.145 -0.513 232 HG11 VAL 27 1HG1 VAL 27 -0.798 4.727 0.985 233 HG12 VAL 27 2HG1 VAL 27 -0.196 4.502 -0.657 234 HG13 VAL 27 3HG1 VAL 27 0.055 3.244 0.555 235 HG21 VAL 27 3HG2 VAL 27 -2.743 1.979 -1.693 236 HG22 VAL 27 1HG2 VAL 27 -1.119 1.585 -1.131 237 HG23 VAL 27 2HG2 VAL 27 -1.365 2.933 -2.244 238 H VAL 28 H VAL 28 -2.013 2.320 3.455 239 HA VAL 28 HA VAL 28 -3.418 4.735 4.410 240 HB VAL 28 HB VAL 28 -2.117 2.516 6.063 241 HG11 VAL 28 1HG1 VAL 28 -3.546 3.349 7.911 242 HG12 VAL 28 2HG1 VAL 28 -4.136 4.647 6.872 243 HG13 VAL 28 3HG1 VAL 28 -2.433 4.593 7.336 244 HG21 VAL 28 3HG2 VAL 28 -5.026 2.748 5.231 245 HG22 VAL 28 1HG2 VAL 28 -4.379 1.578 6.379 246 HG23 VAL 28 2HG2 VAL 28 -3.870 1.527 4.691 247 H ASP 29 H ASP 29 -2.091 6.478 4.242 248 HA ASP 29 HA ASP 29 0.674 6.633 4.625 249 HB2 ASP 29 2HB ASP 29 -1.407 8.749 5.349 250 HB3 ASP 29 3HB ASP 29 0.316 9.029 5.094 251 HA PRO 30 HA PRO 30 0.482 5.712 9.107 252 HB2 PRO 30 2HB PRO 30 3.134 5.207 9.520 253 HB3 PRO 30 3HB PRO 30 2.068 4.041 8.722 254 HG2 PRO 30 2HG PRO 30 4.020 5.973 7.501 255 HG3 PRO 30 3HG PRO 30 3.704 4.280 7.073 256 HD2 PRO 30 2HD PRO 30 2.660 6.431 5.690 257 HD3 PRO 30 3HD PRO 30 1.889 4.828 5.745 258 H GLU 31 H GLU 31 2.199 8.189 7.457 259 HA GLU 31 HA GLU 31 2.842 9.724 9.864 260 HB2 GLU 31 2HB GLU 31 3.919 11.313 8.205 261 HB3 GLU 31 3HB GLU 31 4.607 9.695 8.245 262 HG2 GLU 31 2HG GLU 31 3.343 9.109 6.189 263 HG3 GLU 31 3HG GLU 31 2.683 10.745 6.148 264 H THR 32 H THR 32 0.816 9.992 6.926 265 HA THR 32 HA THR 32 -0.335 12.542 7.781 266 HB THR 32 HB THR 32 -1.196 11.030 5.284 267 HG1 THR 32 HG1 THR 32 0.601 11.663 4.224 268 HG21 THR 32 3HG2 THR 32 -1.422 13.303 4.340 269 HG22 THR 32 1HG2 THR 32 -0.838 14.003 5.851 270 HG23 THR 32 2HG2 THR 32 -2.380 13.143 5.812 271 H GLY 33 H GLY 33 -1.187 9.185 7.909 272 HA2 GLY 33 2HA GLY 33 -2.863 8.177 9.138 273 HA3 GLY 33 3HA GLY 33 -3.640 9.733 9.361 274 H LYS 34 H LYS 34 -3.224 9.717 6.188 275 HA LYS 34 HA LYS 34 -5.993 9.242 5.664 276 HB2 LYS 34 2HB LYS 34 -3.754 9.886 3.711 277 HB3 LYS 34 3HB LYS 34 -5.479 10.026 3.390 278 HG2 LYS 34 2HG LYS 34 -3.940 11.662 5.431 279 HG3 LYS 34 3HG LYS 34 -4.432 12.212 3.830 280 HD2 LYS 34 2HD LYS 34 -6.796 12.028 4.433 281 HD3 LYS 34 3HD LYS 34 -6.373 11.344 6.007 282 HE2 LYS 34 2HE LYS 34 -5.656 14.137 5.055 283 HE3 LYS 34 3HE LYS 34 -6.972 13.741 6.156 284 HZ1 LYS 34 3HZ LYS 34 -5.046 14.490 7.362 285 HZ2 LYS 34 1HZ LYS 34 -4.086 13.280 6.677 286 HZ3 LYS 34 2HZ LYS 34 -5.349 12.867 7.720 287 H VAL 35 H VAL 35 -6.939 7.753 4.225 288 HA VAL 35 HA VAL 35 -5.276 5.476 3.264 289 HB VAL 35 HB VAL 35 -8.204 5.205 4.116 290 HG11 VAL 35 1HG1 VAL 35 -6.113 3.074 3.534 291 HG12 VAL 35 2HG1 VAL 35 -7.461 3.530 2.489 292 HG13 VAL 35 3HG1 VAL 35 -7.776 2.778 4.051 293 HG21 VAL 35 3HG2 VAL 35 -6.939 5.749 6.127 294 HG22 VAL 35 1HG2 VAL 35 -5.771 4.468 5.786 295 HG23 VAL 35 2HG2 VAL 35 -7.449 4.064 6.170 296 H GLU 36 H GLU 36 -5.547 5.015 1.108 297 HA GLU 36 HA GLU 36 -7.888 5.942 -0.392 298 HB2 GLU 36 2HB GLU 36 -6.317 7.846 -0.498 299 HB3 GLU 36 3HB GLU 36 -5.033 6.782 -1.048 300 HG2 GLU 36 2HG GLU 36 -5.911 8.107 -2.892 301 HG3 GLU 36 3HG GLU 36 -6.209 6.393 -3.152 302 H ILE 37 H ILE 37 -8.309 4.679 -2.171 303 HA ILE 37 HA ILE 37 -6.898 2.134 -2.350 304 HB ILE 37 HB ILE 37 -9.370 3.115 -3.877 305 HG12 ILE 37 2HG1 ILE 37 -9.091 1.281 -1.426 306 HG13 ILE 37 3HG1 ILE 37 -9.825 2.877 -1.458 307 HG21 ILE 37 1HG2 ILE 37 -9.678 0.736 -4.543 308 HG22 ILE 37 2HG2 ILE 37 -8.155 0.313 -3.758 309 HG23 ILE 37 3HG2 ILE 37 -8.156 1.383 -5.158 310 HD11 ILE 37 3HD1 ILE 37 -11.502 1.173 -1.319 311 HD12 ILE 37 1HD1 ILE 37 -10.892 0.391 -2.775 312 HD13 ILE 37 2HD1 ILE 37 -11.625 1.994 -2.875 313 H ALA 38 H ALA 38 -5.399 1.723 -3.822 314 HA ALA 38 HA ALA 38 -4.835 3.570 -6.054 315 HB1 ALA 38 3HB ALA 38 -3.314 4.125 -4.181 316 HB2 ALA 38 1HB ALA 38 -2.436 3.422 -5.542 317 HB3 ALA 38 2HB ALA 38 -2.781 2.442 -4.114 318 H GLU 39 H GLU 39 -3.321 2.561 -7.646 319 HA GLU 39 HA GLU 39 -4.145 -0.275 -8.038 320 HB2 GLU 39 2HB GLU 39 -3.437 1.817 -10.137 321 HB3 GLU 39 3HB GLU 39 -3.931 0.158 -10.466 322 HG2 GLU 39 2HG GLU 39 -6.131 0.630 -9.369 323 HG3 GLU 39 3HG GLU 39 -5.638 2.306 -9.167 324 H ILE 40 H ILE 40 -2.590 -1.741 -8.027 325 HA ILE 40 HA ILE 40 0.146 -0.999 -7.510 326 HB ILE 40 HB ILE 40 -1.160 -3.746 -7.797 327 HG12 ILE 40 2HG1 ILE 40 -0.481 -2.084 -5.314 328 HG13 ILE 40 3HG1 ILE 40 -2.095 -2.416 -5.922 329 HG21 ILE 40 1HG2 ILE 40 1.593 -3.050 -6.678 330 HG22 ILE 40 2HG2 ILE 40 1.278 -3.905 -8.192 331 HG23 ILE 40 3HG2 ILE 40 0.847 -4.652 -6.653 332 HD11 ILE 40 3HD1 ILE 40 -1.825 -4.764 -5.382 333 HD12 ILE 40 1HD1 ILE 40 -1.580 -3.734 -3.975 334 HD13 ILE 40 2HD1 ILE 40 -0.192 -4.452 -4.789 335 H ARG 41 H ARG 41 1.482 -0.498 -9.091 336 HA ARG 41 HA ARG 41 1.098 -1.120 -11.870 337 HB2 ARG 41 2HB ARG 41 3.409 0.245 -10.418 338 HB3 ARG 41 3HB ARG 41 3.153 0.250 -12.158 339 HG2 ARG 41 2HG ARG 41 1.081 1.527 -11.887 340 HG3 ARG 41 3HG ARG 41 1.261 1.479 -10.133 341 HD2 ARG 41 2HD ARG 41 3.303 2.812 -10.264 342 HD3 ARG 41 3HD ARG 41 3.246 2.768 -12.031 343 HE ARG 41 HE ARG 41 0.846 3.859 -11.263 344 HH11 ARG 41 1HH1 ARG 41 4.202 4.736 -10.706 345 HH12 ARG 41 2HH1 ARG 41 3.883 6.438 -10.750 346 HH21 ARG 41 1HH2 ARG 41 0.437 6.078 -11.291 347 HH22 ARG 41 2HH2 ARG 41 1.739 7.201 -11.059 348 H ASN 42 H ASN 42 3.621 -1.806 -9.478 349 HA ASN 42 HA ASN 42 4.249 -4.402 -10.729 350 HB2 ASN 42 2HB ASN 42 6.308 -2.227 -10.088 351 HB3 ASN 42 3HB ASN 42 6.734 -3.907 -10.384 352 HD21 ASN 42 1HD2 ASN 42 5.531 -0.965 -11.859 353 HD22 ASN 42 2HD2 ASN 42 5.829 -1.444 -13.492 354 H VAL 43 H VAL 43 5.477 -5.797 -9.193 355 HA VAL 43 HA VAL 43 5.299 -4.943 -6.350 356 HB VAL 43 HB VAL 43 5.513 -7.816 -7.407 357 HG11 VAL 43 1HG1 VAL 43 4.953 -8.497 -5.091 358 HG12 VAL 43 2HG1 VAL 43 4.965 -6.804 -4.588 359 HG13 VAL 43 3HG1 VAL 43 6.455 -7.569 -5.146 360 HG21 VAL 43 3HG2 VAL 43 3.134 -8.070 -6.788 361 HG22 VAL 43 1HG2 VAL 43 3.350 -6.833 -8.030 362 HG23 VAL 43 2HG2 VAL 43 3.057 -6.359 -6.354 363 H VAL 44 H VAL 44 7.180 -3.775 -6.419 364 HA VAL 44 HA VAL 44 9.707 -5.279 -6.612 365 HB VAL 44 HB VAL 44 9.564 -4.058 -8.715 366 HG11 VAL 44 1HG1 VAL 44 9.326 -1.604 -8.883 367 HG12 VAL 44 2HG1 VAL 44 9.074 -1.504 -7.139 368 HG13 VAL 44 3HG1 VAL 44 7.899 -2.344 -8.152 369 HG21 VAL 44 3HG2 VAL 44 11.491 -2.607 -6.858 370 HG22 VAL 44 1HG2 VAL 44 11.594 -2.668 -8.619 371 HG23 VAL 44 2HG2 VAL 44 11.796 -4.141 -7.674 372 H GLU 45 H GLU 45 10.949 -4.984 -4.880 373 HA GLU 45 HA GLU 45 9.996 -3.261 -2.729 374 HB2 GLU 45 2HB GLU 45 11.613 -4.594 -1.323 375 HB3 GLU 45 3HB GLU 45 10.366 -5.546 -2.114 376 HG2 GLU 45 2HG GLU 45 11.996 -6.238 -3.844 377 HG3 GLU 45 3HG GLU 45 13.250 -5.314 -3.022 378 H ASN 46 H ASN 46 13.118 -3.904 -4.327 379 HA ASN 46 HA ASN 46 14.000 -1.141 -3.988 380 HB2 ASN 46 2HB ASN 46 15.395 -3.541 -2.699 381 HB3 ASN 46 3HB ASN 46 16.259 -2.057 -3.071 382 HD21 ASN 46 1HD2 ASN 46 14.115 -0.255 -2.337 383 HD22 ASN 46 2HD2 ASN 46 13.988 -0.300 -0.621 384 H THR 47 H THR 47 15.926 -0.712 -5.296 385 HA THR 47 HA THR 47 15.990 -2.219 -7.773 386 HB THR 47 HB THR 47 17.723 -0.520 -8.456 387 HG1 THR 47 HG1 THR 47 18.609 -0.139 -6.365 388 HG21 THR 47 3HG2 THR 47 15.240 0.701 -7.198 389 HG22 THR 47 1HG2 THR 47 15.311 -0.032 -8.800 390 HG23 THR 47 2HG2 THR 47 16.231 1.434 -8.458 391 H ALA 48 H ALA 48 17.977 -1.900 -4.886 392 HA ALA 48 HA ALA 48 20.302 -3.249 -5.882 393 HB1 ALA 48 3HB ALA 48 19.417 -2.755 -3.017 394 HB2 ALA 48 1HB ALA 48 20.432 -1.683 -3.989 395 HB3 ALA 48 2HB ALA 48 21.023 -3.278 -3.522 396 H ASN 49 H ASN 49 19.459 -5.064 -6.877 397 HA ASN 49 HA ASN 49 18.780 -7.164 -7.228 398 HB2 ASN 49 2HB ASN 49 19.682 -7.579 -4.350 399 HB3 ASN 49 3HB ASN 49 19.279 -8.889 -5.453 400 HD21 ASN 49 1HD2 ASN 49 21.572 -6.331 -4.766 401 HD22 ASN 49 2HD2 ASN 49 22.829 -6.927 -5.795 402 HA PRO 50 HA PRO 50 14.530 -6.587 -5.467 403 HB2 PRO 50 2HB PRO 50 13.560 -7.101 -8.202 404 HB3 PRO 50 3HB PRO 50 13.345 -5.657 -7.211 405 HG2 PRO 50 2HG PRO 50 14.937 -5.716 -9.460 406 HG3 PRO 50 3HG PRO 50 15.201 -4.602 -8.100 407 HD2 PRO 50 2HD PRO 50 16.627 -7.179 -8.759 408 HD3 PRO 50 3HD PRO 50 17.286 -5.649 -8.131 409 H HIS 51 H HIS 51 14.432 -8.535 -4.332 410 HA HIS 51 HA HIS 51 14.978 -11.096 -5.398 411 HB2 HIS 51 2HB HIS 51 15.080 -10.577 -2.979 412 HB3 HIS 51 3HB HIS 51 13.332 -10.390 -2.936 413 HD1 HIS 51 HD1 HIS 51 15.938 -13.065 -3.592 414 HD2 HIS 51 HD2 HIS 51 11.981 -12.731 -2.384 415 HE1 HIS 51 HE1 HIS 51 15.224 -15.388 -3.008 416 HE2 HIS 51 HE2 HIS 51 12.897 -15.127 -2.081 417 H PHE 52 H PHE 52 11.965 -9.243 -5.222 418 HA PHE 52 HA PHE 52 10.317 -11.224 -6.503 419 HB2 PHE 52 2HB PHE 52 10.032 -8.178 -6.455 420 HB3 PHE 52 3HB PHE 52 8.795 -9.307 -7.003 421 HD1 PHE 52 HD2 PHE 52 7.832 -10.967 -5.306 422 HD2 PHE 52 HD1 PHE 52 10.184 -7.589 -4.142 423 HE1 PHE 52 HE2 PHE 52 6.942 -11.125 -3.024 424 HE2 PHE 52 HE1 PHE 52 9.286 -7.760 -1.860 425 HZ PHE 52 HZ PHE 52 7.666 -9.527 -1.303 426 H VAL 53 H VAL 53 11.701 -12.013 -8.159 427 HA VAL 53 HA VAL 53 12.831 -10.481 -10.270 428 HB VAL 53 HB VAL 53 11.912 -13.401 -10.383 429 HG11 VAL 53 1HG1 VAL 53 12.370 -12.487 -12.618 430 HG12 VAL 53 2HG1 VAL 53 13.603 -13.668 -12.179 431 HG13 VAL 53 3HG1 VAL 53 13.962 -11.943 -12.093 432 HG21 VAL 53 3HG2 VAL 53 14.619 -12.298 -9.554 433 HG22 VAL 53 1HG2 VAL 53 14.232 -14.011 -9.768 434 HG23 VAL 53 2HG2 VAL 53 13.441 -13.077 -8.496 435 H ARG 54 H ARG 54 9.885 -12.416 -10.040 436 HA ARG 54 HA ARG 54 8.570 -11.059 -12.238 437 HB2 ARG 54 2HB ARG 54 6.492 -12.353 -11.239 438 HB3 ARG 54 3HB ARG 54 7.741 -13.228 -12.099 439 HG2 ARG 54 2HG ARG 54 7.116 -14.541 -10.212 440 HG3 ARG 54 3HG ARG 54 8.725 -13.902 -9.885 441 HD2 ARG 54 2HD ARG 54 7.757 -12.199 -8.409 442 HD3 ARG 54 3HD ARG 54 6.131 -12.789 -8.765 443 HE ARG 54 HE ARG 54 7.679 -14.926 -7.783 444 HH11 ARG 54 1HH1 ARG 54 6.293 -11.941 -6.579 445 HH12 ARG 54 2HH1 ARG 54 6.065 -12.546 -4.972 446 HH21 ARG 54 1HH2 ARG 54 7.370 -15.713 -5.653 447 HH22 ARG 54 2HH2 ARG 54 6.686 -14.671 -4.446 448 H ARG 55 H ARG 55 7.038 -9.463 -12.088 449 HA ARG 55 HA ARG 55 6.963 -7.939 -9.556 450 HB2 ARG 55 2HB ARG 55 6.084 -6.075 -10.995 451 HB3 ARG 55 3HB ARG 55 7.696 -6.623 -11.412 452 HG2 ARG 55 2HG ARG 55 6.726 -6.303 -13.508 453 HG3 ARG 55 3HG ARG 55 6.509 -8.033 -13.263 454 HD2 ARG 55 2HD ARG 55 4.169 -7.650 -12.600 455 HD3 ARG 55 3HD ARG 55 4.393 -5.904 -12.789 456 HE ARG 55 HE ARG 55 5.087 -6.789 -15.219 457 HH11 ARG 55 1HH1 ARG 55 2.267 -7.559 -13.282 458 HH12 ARG 55 2HH1 ARG 55 1.243 -7.833 -14.654 459 HH21 ARG 55 1HH2 ARG 55 3.731 -7.155 -17.027 460 HH22 ARG 55 2HH2 ARG 55 2.073 -7.609 -16.775 461 H ASN 56 H ASN 56 5.477 -10.389 -9.899 462 HA ASN 56 HA ASN 56 2.743 -9.480 -9.268 463 HB2 ASN 56 2HB ASN 56 3.460 -11.973 -10.887 464 HB3 ASN 56 3HB ASN 56 1.840 -11.560 -10.338 465 HD21 ASN 56 1HD2 ASN 56 2.623 -12.036 -13.024 466 HD22 ASN 56 2HD2 ASN 56 2.350 -10.579 -13.912 467 H ILE 57 H ILE 57 1.581 -11.527 -8.240 468 HA ILE 57 HA ILE 57 1.270 -12.912 -6.509 469 HB ILE 57 HB ILE 57 4.109 -13.852 -7.098 470 HG12 ILE 57 2HG1 ILE 57 2.575 -14.188 -9.000 471 HG13 ILE 57 3HG1 ILE 57 2.963 -15.743 -8.283 472 HG21 ILE 57 1HG2 ILE 57 1.998 -15.201 -5.356 473 HG22 ILE 57 2HG2 ILE 57 3.521 -14.510 -4.800 474 HG23 ILE 57 3HG2 ILE 57 3.530 -15.931 -5.842 475 HD11 ILE 57 3HD1 ILE 57 0.624 -15.665 -8.882 476 HD12 ILE 57 1HD1 ILE 57 0.387 -14.201 -7.928 477 HD13 ILE 57 2HD1 ILE 57 0.770 -15.725 -7.126 478 H ILE 58 H ILE 58 0.985 -11.228 -5.166 479 HA ILE 58 HA ILE 58 3.112 -10.024 -3.601 480 HB ILE 58 HB ILE 58 0.085 -9.663 -3.339 481 HG12 ILE 58 2HG1 ILE 58 2.037 -8.050 -5.053 482 HG13 ILE 58 3HG1 ILE 58 0.868 -9.208 -5.674 483 HG21 ILE 58 1HG2 ILE 58 1.357 -8.795 -1.408 484 HG22 ILE 58 2HG2 ILE 58 0.649 -7.469 -2.328 485 HG23 ILE 58 3HG2 ILE 58 2.368 -7.834 -2.488 486 HD11 ILE 58 3HD1 ILE 58 0.145 -6.920 -5.973 487 HD12 ILE 58 1HD1 ILE 58 0.210 -6.650 -4.237 488 HD13 ILE 58 2HD1 ILE 58 -0.952 -7.795 -4.908 489 H THR 59 H THR 59 3.469 -10.372 -1.424 490 HA THR 59 HA THR 59 1.808 -12.328 0.061 491 HB THR 59 HB THR 59 3.992 -12.793 1.376 492 HG1 THR 59 HG1 THR 59 5.361 -11.916 -0.938 493 HG21 THR 59 3HG2 THR 59 3.101 -14.451 -0.234 494 HG22 THR 59 1HG2 THR 59 4.865 -14.416 -0.257 495 HG23 THR 59 2HG2 THR 59 3.952 -13.635 -1.550 496 H ARG 60 H ARG 60 1.965 -11.936 2.498 497 HA ARG 60 HA ARG 60 1.536 -9.153 3.099 498 HB2 ARG 60 2HB ARG 60 0.262 -10.914 4.291 499 HB3 ARG 60 3HB ARG 60 1.749 -11.535 5.001 500 HG2 ARG 60 2HG ARG 60 2.052 -9.354 6.185 501 HG3 ARG 60 3HG ARG 60 0.510 -8.811 5.517 502 HD2 ARG 60 2HD ARG 60 -0.684 -10.543 6.721 503 HD3 ARG 60 3HD ARG 60 0.830 -11.261 7.284 504 HE ARG 60 HE ARG 60 -0.107 -8.561 8.073 505 HH11 ARG 60 1HH1 ARG 60 1.445 -11.593 8.918 506 HH12 ARG 60 2HH1 ARG 60 1.696 -11.146 10.574 507 HH21 ARG 60 1HH2 ARG 60 0.256 -7.963 10.235 508 HH22 ARG 60 2HH2 ARG 60 1.005 -9.086 11.328 509 H GLY 61 H GLY 61 2.921 -7.743 3.959 510 HA2 GLY 61 2HA GLY 61 4.842 -6.818 4.897 511 HA3 GLY 61 3HA GLY 61 5.524 -8.430 5.065 512 H ALA 62 H ALA 62 4.309 -7.910 1.952 513 HA ALA 62 HA ALA 62 6.977 -7.696 0.780 514 HB1 ALA 62 3HB ALA 62 5.337 -9.249 -0.220 515 HB2 ALA 62 1HB ALA 62 5.801 -7.995 -1.375 516 HB3 ALA 62 2HB ALA 62 4.246 -7.900 -0.541 517 H VAL 63 H VAL 63 7.456 -5.984 -0.862 518 HA VAL 63 HA VAL 63 5.978 -3.466 -0.354 519 HB VAL 63 HB VAL 63 8.745 -3.754 -1.612 520 HG11 VAL 63 1HG1 VAL 63 8.896 -1.302 -1.341 521 HG12 VAL 63 2HG1 VAL 63 7.247 -1.260 -0.713 522 HG13 VAL 63 3HG1 VAL 63 7.545 -1.746 -2.383 523 HG21 VAL 63 3HG2 VAL 63 8.871 -4.376 0.753 524 HG22 VAL 63 1HG2 VAL 63 8.031 -2.896 1.220 525 HG23 VAL 63 2HG2 VAL 63 9.643 -2.811 0.498 526 H VAL 64 H VAL 64 4.628 -2.907 -1.841 527 HA VAL 64 HA VAL 64 4.923 -3.819 -4.643 528 HB VAL 64 HB VAL 64 2.510 -3.301 -4.915 529 HG11 VAL 64 1HG1 VAL 64 1.590 -5.189 -3.637 530 HG12 VAL 64 2HG1 VAL 64 3.029 -5.215 -2.616 531 HG13 VAL 64 3HG1 VAL 64 3.161 -5.592 -4.334 532 HG21 VAL 64 3HG2 VAL 64 2.247 -1.541 -3.199 533 HG22 VAL 64 1HG2 VAL 64 2.476 -2.739 -1.916 534 HG23 VAL 64 2HG2 VAL 64 1.060 -2.823 -2.968 535 H GLU 65 H GLU 65 4.419 -2.264 -6.256 536 HA GLU 65 HA GLU 65 4.944 0.562 -5.570 537 HB2 GLU 65 2HB GLU 65 6.555 -0.458 -7.144 538 HB3 GLU 65 3HB GLU 65 5.235 -0.971 -8.195 539 HG2 GLU 65 2HG GLU 65 4.664 1.401 -8.622 540 HG3 GLU 65 3HG GLU 65 6.006 1.905 -7.592 541 H THR 66 H THR 66 3.313 2.015 -5.939 542 HA THR 66 HA THR 66 0.872 1.149 -7.372 543 HB THR 66 HB THR 66 -0.570 2.093 -5.647 544 HG1 THR 66 HG1 THR 66 1.613 2.608 -3.928 545 HG21 THR 66 3HG2 THR 66 -0.128 0.637 -3.707 546 HG22 THR 66 1HG2 THR 66 1.511 0.331 -4.289 547 HG23 THR 66 2HG2 THR 66 0.123 -0.243 -5.216 548 H ASN 67 H ASN 67 -0.644 3.284 -7.360 549 HA ASN 67 HA ASN 67 0.672 5.268 -8.945 550 HB2 ASN 67 2HB ASN 67 -2.104 5.323 -7.673 551 HB3 ASN 67 3HB ASN 67 -1.528 6.435 -8.914 552 HD21 ASN 67 1HD2 ASN 67 -3.816 4.726 -9.073 553 HD22 ASN 67 2HD2 ASN 67 -3.569 3.647 -10.397 554 H LEU 68 H LEU 68 0.263 4.854 -5.557 555 HA LEU 68 HA LEU 68 0.683 7.697 -4.909 556 HB2 LEU 68 2HB LEU 68 -0.037 5.323 -3.152 557 HB3 LEU 68 3HB LEU 68 0.133 6.976 -2.580 558 HG LEU 68 HG LEU 68 -1.964 6.019 -4.579 559 HD11 LEU 68 1HD1 LEU 68 -2.437 5.179 -2.329 560 HD12 LEU 68 2HD1 LEU 68 -3.608 6.407 -2.797 561 HD13 LEU 68 3HD1 LEU 68 -2.310 6.811 -1.672 562 HD21 LEU 68 3HD2 LEU 68 -1.350 8.354 -5.028 563 HD22 LEU 68 1HD2 LEU 68 -1.615 8.772 -3.330 564 HD23 LEU 68 2HD2 LEU 68 -2.968 8.262 -4.340 565 H GLY 69 H GLY 69 2.459 4.805 -5.258 566 HA2 GLY 69 2HA GLY 69 4.940 5.246 -5.194 567 HA3 GLY 69 3HA GLY 69 4.684 5.764 -3.531 568 H ASN 70 H ASN 70 6.339 4.072 -3.121 569 HA ASN 70 HA ASN 70 5.583 1.289 -3.351 570 HB2 ASN 70 2HB ASN 70 7.923 2.607 -1.917 571 HB3 ASN 70 3HB ASN 70 7.704 0.865 -2.071 572 HD21 ASN 70 1HD2 ASN 70 8.019 -0.113 -4.120 573 HD22 ASN 70 2HD2 ASN 70 8.799 0.718 -5.420 574 H VAL 71 H VAL 71 4.579 0.051 -1.866 575 HA VAL 71 HA VAL 71 3.836 1.205 0.759 576 HB VAL 71 HB VAL 71 2.138 -0.496 -1.147 577 HG11 VAL 71 1HG1 VAL 71 1.526 -0.865 1.209 578 HG12 VAL 71 2HG1 VAL 71 0.240 -0.056 0.319 579 HG13 VAL 71 3HG1 VAL 71 1.266 0.869 1.418 580 HG21 VAL 71 3HG2 VAL 71 0.786 1.531 -1.533 581 HG22 VAL 71 1HG2 VAL 71 2.454 1.735 -2.068 582 HG23 VAL 71 2HG2 VAL 71 1.920 2.472 -0.557 583 H ARG 72 H ARG 72 4.015 -0.182 2.518 584 HA ARG 72 HA ARG 72 4.922 -2.952 2.172 585 HB2 ARG 72 2HB ARG 72 4.715 -1.087 4.538 586 HB3 ARG 72 3HB ARG 72 4.586 -2.807 4.876 587 HG2 ARG 72 2HG ARG 72 6.914 -1.505 3.461 588 HG3 ARG 72 3HG ARG 72 6.881 -1.891 5.174 589 HD2 ARG 72 2HD ARG 72 6.705 -4.275 4.661 590 HD3 ARG 72 3HD ARG 72 6.623 -3.928 2.926 591 HE ARG 72 HE ARG 72 8.935 -2.816 3.402 592 HH11 ARG 72 1HH1 ARG 72 7.847 -5.829 4.860 593 HH12 ARG 72 2HH1 ARG 72 9.458 -6.451 5.014 594 HH21 ARG 72 1HH2 ARG 72 10.999 -3.663 3.615 595 HH22 ARG 72 2HH2 ARG 72 11.237 -5.246 4.284 596 H VAL 73 H VAL 73 3.485 -4.558 2.014 597 HA VAL 73 HA VAL 73 0.662 -4.140 2.300 598 HB VAL 73 HB VAL 73 2.221 -6.736 1.845 599 HG11 VAL 73 1HG1 VAL 73 -0.710 -6.109 1.320 600 HG12 VAL 73 2HG1 VAL 73 -0.076 -7.176 2.571 601 HG13 VAL 73 3HG1 VAL 73 0.123 -7.608 0.876 602 HG21 VAL 73 3HG2 VAL 73 2.725 -5.056 0.110 603 HG22 VAL 73 1HG2 VAL 73 1.004 -4.848 -0.213 604 HG23 VAL 73 2HG2 VAL 73 1.790 -6.391 -0.554 605 H THR 74 H THR 74 -0.406 -4.268 4.205 606 HA THR 74 HA THR 74 0.985 -5.284 6.602 607 HB THR 74 HB THR 74 -0.763 -3.942 7.838 608 HG1 THR 74 HG1 THR 74 -2.318 -2.944 6.764 609 HG21 THR 74 3HG2 THR 74 0.157 -1.727 7.302 610 HG22 THR 74 1HG2 THR 74 0.824 -2.349 5.792 611 HG23 THR 74 2HG2 THR 74 1.444 -2.936 7.339 612 H SER 75 H SER 75 -1.761 -5.856 4.574 613 HA SER 75 HA SER 75 -2.863 -7.900 6.422 614 HB2 SER 75 2HB SER 75 -4.388 -6.037 5.684 615 HB3 SER 75 3HB SER 75 -4.186 -6.569 4.015 616 HG SER 75 HG SER 75 -5.683 -7.976 4.380 617 H ARG 76 H ARG 76 -4.048 -9.686 4.940 618 HA ARG 76 HA ARG 76 -1.881 -10.978 3.446 619 HB2 ARG 76 2HB ARG 76 -4.551 -12.036 4.458 620 HB3 ARG 76 3HB ARG 76 -3.335 -13.009 3.632 621 HG2 ARG 76 2HG ARG 76 -1.745 -12.657 5.453 622 HG3 ARG 76 3HG ARG 76 -2.867 -11.554 6.257 623 HD2 ARG 76 2HD ARG 76 -3.336 -14.514 5.770 624 HD3 ARG 76 3HD ARG 76 -2.868 -13.779 7.305 625 HE ARG 76 HE ARG 76 -5.156 -12.461 6.664 626 HH11 ARG 76 1HH1 ARG 76 -4.381 -15.886 6.976 627 HH12 ARG 76 2HH1 ARG 76 -5.987 -16.325 7.458 628 HH21 ARG 76 1HH2 ARG 76 -7.262 -13.064 7.283 629 HH22 ARG 76 2HH2 ARG 76 -7.626 -14.726 7.617 630 HA PRO 77 HA PRO 77 -4.012 -9.319 -0.247 631 HB2 PRO 77 2HB PRO 77 -2.136 -10.101 -2.105 632 HB3 PRO 77 3HB PRO 77 -1.933 -8.696 -1.047 633 HG2 PRO 77 2HG PRO 77 -0.853 -11.492 -0.687 634 HG3 PRO 77 3HG PRO 77 -0.009 -9.932 -0.520 635 HD2 PRO 77 2HD PRO 77 -0.915 -11.278 1.634 636 HD3 PRO 77 3HD PRO 77 -0.962 -9.501 1.573 637 H GLY 78 H GLY 78 -5.785 -10.397 -0.854 638 HA2 GLY 78 2HA GLY 78 -6.299 -12.108 -2.745 639 HA3 GLY 78 3HA GLY 78 -5.695 -13.270 -1.573 640 H GLN 79 H GLN 79 -6.825 -11.758 0.712 641 HA GLN 79 HA GLN 79 -9.323 -13.022 0.960 642 HB2 GLN 79 2HB GLN 79 -9.588 -11.664 3.038 643 HB3 GLN 79 3HB GLN 79 -8.032 -12.465 2.926 644 HG2 GLN 79 2HG GLN 79 -7.016 -10.299 2.169 645 HG3 GLN 79 3HG GLN 79 -8.567 -9.520 2.456 646 HE21 GLN 79 1HE2 GLN 79 -9.278 -9.249 4.629 647 HE22 GLN 79 2HE2 GLN 79 -8.192 -9.378 5.967 648 H ASP 80 H ASP 80 -11.050 -12.600 -0.221 649 HA ASP 80 HA ASP 80 -12.871 -11.659 -1.137 650 HB2 ASP 80 2HB ASP 80 -12.045 -9.185 0.420 651 HB3 ASP 80 3HB ASP 80 -13.534 -9.273 -0.512 652 H GLY 81 H GLY 81 -9.778 -10.463 -1.919 653 HA2 GLY 81 2HA GLY 81 -9.101 -9.698 -4.046 654 HA3 GLY 81 3HA GLY 81 -10.739 -9.143 -4.366 655 H VAL 82 H VAL 82 -9.709 -8.388 -1.227 656 HA VAL 82 HA VAL 82 -8.887 -5.650 -1.996 657 HB VAL 82 HB VAL 82 -10.943 -5.543 -0.715 658 HG11 VAL 82 1HG1 VAL 82 -9.607 -7.178 1.480 659 HG12 VAL 82 2HG1 VAL 82 -10.908 -7.729 0.423 660 HG13 VAL 82 3HG1 VAL 82 -11.203 -6.428 1.575 661 HG21 VAL 82 3HG2 VAL 82 -10.256 -4.154 1.202 662 HG22 VAL 82 1HG2 VAL 82 -9.266 -3.808 -0.217 663 HG23 VAL 82 2HG2 VAL 82 -8.615 -4.796 1.092 664 H ILE 83 H ILE 83 -6.764 -5.388 -1.872 665 HA ILE 83 HA ILE 83 -5.137 -6.701 0.209 666 HB ILE 83 HB ILE 83 -4.178 -4.888 -2.064 667 HG12 ILE 83 2HG1 ILE 83 -4.344 -7.943 -2.007 668 HG13 ILE 83 3HG1 ILE 83 -5.345 -6.889 -2.994 669 HG21 ILE 83 1HG2 ILE 83 -2.566 -5.122 -0.200 670 HG22 ILE 83 2HG2 ILE 83 -1.964 -5.926 -1.647 671 HG23 ILE 83 3HG2 ILE 83 -2.648 -6.881 -0.330 672 HD11 ILE 83 3HD1 ILE 83 -3.619 -7.912 -4.308 673 HD12 ILE 83 1HD1 ILE 83 -2.371 -7.279 -3.243 674 HD13 ILE 83 2HD1 ILE 83 -3.341 -6.177 -4.224 675 H ASN 84 H ASN 84 -3.948 -5.440 1.743 676 HA ASN 84 HA ASN 84 -4.593 -2.546 1.929 677 HB2 ASN 84 2HB ASN 84 -4.760 -4.548 4.228 678 HB3 ASN 84 3HB ASN 84 -4.963 -2.810 4.374 679 HD21 ASN 84 1HD2 ASN 84 -6.885 -1.870 3.670 680 HD22 ASN 84 2HD2 ASN 84 -8.299 -2.795 3.294 681 H GLY 85 H GLY 85 -3.021 -1.303 3.048 682 HA2 GLY 85 2HA GLY 85 -0.589 -2.407 4.084 683 HA3 GLY 85 3HA GLY 85 -0.391 -1.832 2.431 684 H VAL 86 H VAL 86 1.237 -0.521 3.868 685 HA VAL 86 HA VAL 86 0.019 2.097 4.498 686 HB VAL 86 HB VAL 86 1.775 2.466 6.272 687 HG11 VAL 86 1HG1 VAL 86 0.681 1.165 8.047 688 HG12 VAL 86 2HG1 VAL 86 -0.095 0.139 6.836 689 HG13 VAL 86 3HG1 VAL 86 -0.503 1.854 6.934 690 HG21 VAL 86 3HG2 VAL 86 2.321 -0.518 5.967 691 HG22 VAL 86 1HG2 VAL 86 2.977 0.532 7.227 692 HG23 VAL 86 2HG2 VAL 86 3.427 0.790 5.545 693 H LEU 87 H LEU 87 1.141 3.906 3.742 694 HA LEU 87 HA LEU 87 2.857 3.409 1.494 695 HB2 LEU 87 2HB LEU 87 1.147 5.232 1.560 696 HB3 LEU 87 3HB LEU 87 2.118 6.075 2.754 697 HG LEU 87 HG LEU 87 3.967 6.297 1.079 698 HD11 LEU 87 1HD1 LEU 87 3.551 5.782 -1.304 699 HD12 LEU 87 2HD1 LEU 87 2.019 5.022 -0.870 700 HD13 LEU 87 3HD1 LEU 87 3.540 4.332 -0.303 701 HD21 LEU 87 3HD2 LEU 87 1.306 7.370 0.088 702 HD22 LEU 87 1HD2 LEU 87 2.904 7.989 -0.349 703 HD23 LEU 87 2HD2 LEU 87 2.331 8.118 1.315 704 H ILE 88 H ILE 88 4.983 3.234 1.527 705 HA ILE 88 HA ILE 88 6.623 4.625 3.578 706 HB ILE 88 HB ILE 88 8.316 2.809 3.312 707 HG12 ILE 88 2HG1 ILE 88 6.187 1.370 1.656 708 HG13 ILE 88 3HG1 ILE 88 7.651 2.086 0.995 709 HG21 ILE 88 1HG2 ILE 88 5.577 1.762 4.155 710 HG22 ILE 88 2HG2 ILE 88 6.696 2.670 5.173 711 HG23 ILE 88 3HG2 ILE 88 7.136 1.060 4.606 712 HD11 ILE 88 3HD1 ILE 88 9.015 0.480 2.071 713 HD12 ILE 88 1HD1 ILE 88 7.692 -0.383 1.295 714 HD13 ILE 88 2HD1 ILE 88 7.670 -0.110 3.035 715 H ARG 89 H ARG 89 9.055 4.570 2.585 716 HA ARG 89 HA ARG 89 8.906 5.846 -0.096 717 HB2 ARG 89 2HB ARG 89 10.645 6.762 2.250 718 HB3 ARG 89 3HB ARG 89 10.546 7.522 0.665 719 HG2 ARG 89 2HG ARG 89 8.224 8.200 1.109 720 HG3 ARG 89 3HG ARG 89 8.265 7.383 2.670 721 HD2 ARG 89 2HD ARG 89 10.095 8.916 3.389 722 HD3 ARG 89 3HD ARG 89 9.953 9.776 1.853 723 HE ARG 89 HE ARG 89 7.613 9.563 3.643 724 HH11 ARG 89 1HH1 ARG 89 9.986 11.612 2.048 725 HH12 ARG 89 2HH1 ARG 89 9.217 13.088 2.533 726 HH21 ARG 89 1HH2 ARG 89 6.619 11.515 4.295 727 HH22 ARG 89 2HH2 ARG 89 7.305 13.035 3.800 728 H GLU 90 H GLU 90 9.575 3.704 -0.926 729 HA GLU 90 HA GLU 90 12.350 2.910 -0.306 730 HB2 GLU 90 2HB GLU 90 10.330 1.591 -2.168 731 HB3 GLU 90 3HB GLU 90 11.944 0.975 -1.833 732 HG2 GLU 90 2HG GLU 90 9.617 1.197 0.080 733 HG3 GLU 90 3HG GLU 90 10.366 -0.277 -0.534 734 H LEU 91 H LEU 91 10.680 3.005 -3.456 735 HA LEU 91 HA LEU 91 13.154 3.847 -4.728 736 HB2 LEU 91 2HB LEU 91 10.449 3.262 -6.001 737 HB3 LEU 91 3HB LEU 91 11.991 3.411 -6.831 738 HG LEU 91 HG LEU 91 11.147 1.175 -4.950 739 HD11 LEU 91 1HD1 LEU 91 10.181 1.001 -7.194 740 HD12 LEU 91 2HD1 LEU 91 11.365 -0.271 -6.913 741 HD13 LEU 91 3HD1 LEU 91 11.794 1.119 -7.911 742 HD21 LEU 91 3HD2 LEU 91 13.331 0.111 -5.438 743 HD22 LEU 91 1HD2 LEU 91 13.513 1.624 -4.544 744 HD23 LEU 91 2HD2 LEU 91 13.849 1.574 -6.275 745 H GLU 92 H GLU 92 13.477 5.973 -4.146 746 HA GLU 92 HA GLU 92 11.508 8.055 -4.388 747 HB2 GLU 92 2HB GLU 92 13.394 9.601 -3.986 748 HB3 GLU 92 3HB GLU 92 13.424 8.262 -2.848 749 HG2 GLU 92 2HG GLU 92 15.199 7.161 -4.204 750 HG3 GLU 92 3HG GLU 92 15.205 8.543 -5.295 751 H HIS 93 H HIS 93 13.270 6.316 -6.633 752 HA HIS 93 HA HIS 93 12.481 8.076 -8.861 753 HB2 HIS 93 2HB HIS 93 14.559 7.440 -10.070 754 HB3 HIS 93 3HB HIS 93 14.938 8.288 -8.581 755 HD1 HIS 93 HD1 HIS 93 16.237 5.653 -10.451 756 HD2 HIS 93 HD2 HIS 93 15.341 6.044 -6.421 757 HE1 HIS 93 HE1 HIS 93 17.566 3.881 -9.290 758 HE2 HIS 93 HE2 HIS 93 17.175 4.286 -6.850 759 H HIS 94 H HIS 94 11.590 6.894 -10.627 760 HA HIS 94 HA HIS 94 10.690 4.200 -9.957 761 HB2 HIS 94 2HB HIS 94 9.182 6.022 -10.960 762 HB3 HIS 94 3HB HIS 94 10.022 5.779 -12.482 763 HD1 HIS 94 HD1 HIS 94 7.005 5.344 -12.288 764 HD2 HIS 94 HD2 HIS 94 9.777 2.299 -11.796 765 HE1 HIS 94 HE1 HIS 94 5.764 3.217 -12.756 766 HE2 HIS 94 HE2 HIS 94 7.397 1.402 -12.163 767 H HIS 95 H HIS 95 12.551 5.787 -12.577 768 HA HIS 95 HA HIS 95 13.428 3.207 -13.668 769 HB2 HIS 95 2HB HIS 95 14.001 6.072 -14.531 770 HB3 HIS 95 3HB HIS 95 14.681 4.660 -15.337 771 HD1 HIS 95 HD1 HIS 95 12.172 6.987 -15.885 772 HD2 HIS 95 HD2 HIS 95 12.230 2.842 -16.044 773 HE1 HIS 95 HE1 HIS 95 10.332 6.349 -17.444 774 HE2 HIS 95 HE2 HIS 95 10.552 3.859 -17.714 775 H HIS 96 H HIS 96 15.222 2.237 -12.942 776 HA HIS 96 HA HIS 96 17.200 3.682 -11.345 777 HB2 HIS 96 2HB HIS 96 18.218 1.491 -10.912 778 HB3 HIS 96 3HB HIS 96 16.496 1.447 -10.565 779 HD1 HIS 96 HD1 HIS 96 19.059 -0.464 -12.124 780 HD2 HIS 96 HD2 HIS 96 15.037 0.159 -12.910 781 HE1 HIS 96 HE1 HIS 96 18.348 -2.386 -13.554 782 HE2 HIS 96 HE2 HIS 96 15.890 -2.041 -13.944 783 H HIS 97 H HIS 97 18.645 4.864 -12.466 784 HA HIS 97 HA HIS 97 20.163 3.857 -14.703 785 HB2 HIS 97 2HB HIS 97 17.873 4.439 -15.696 786 HB3 HIS 97 3HB HIS 97 18.190 6.114 -15.285 787 HD1 HIS 97 HD1 HIS 97 18.808 3.574 -17.851 788 HD2 HIS 97 HD2 HIS 97 20.383 7.279 -16.839 789 HE1 HIS 97 HE1 HIS 97 20.042 4.357 -19.885 790 HE2 HIS 97 HE2 HIS 97 21.116 6.526 -19.194 791 H HIS 98 H HIS 98 22.113 4.893 -14.720 792 HA HIS 98 HA HIS 98 22.497 7.393 -13.220 793 HB2 HIS 98 2HB HIS 98 24.127 5.597 -12.844 794 HB3 HIS 98 3HB HIS 98 24.482 5.498 -14.562 795 HD1 HIS 98 HD1 HIS 98 26.846 6.256 -14.748 796 HD2 HIS 98 HD2 HIS 98 24.647 8.740 -12.242 797 HE1 HIS 98 HE1 HIS 98 28.393 8.115 -14.114 798 HE2 HIS 98 HE2 HIS 98 27.115 9.481 -12.432 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -38.595 -4.941 17.436 2 H2 GLY 1 2H GLY 1 -37.407 -6.043 17.912 3 H3 GLY 1 3H GLY 1 -38.681 -6.547 16.919 4 HA2 GLY 1 2HA GLY 1 -36.604 -4.582 16.172 5 HA3 GLY 1 3HA GLY 1 -36.607 -6.267 15.679 6 H ASP 2 H ASP 2 -37.790 -3.102 15.012 7 HA ASP 2 HA ASP 2 -39.964 -3.809 13.281 8 HB2 ASP 2 2HB ASP 2 -38.367 -1.228 13.555 9 HB3 ASP 2 3HB ASP 2 -39.748 -1.396 12.477 10 H ARG 3 H ARG 3 -39.330 -5.260 11.716 11 HA ARG 3 HA ARG 3 -36.927 -4.866 10.123 12 HB2 ARG 3 2HB ARG 3 -39.097 -7.008 9.934 13 HB3 ARG 3 3HB ARG 3 -37.577 -7.025 9.044 14 HG2 ARG 3 2HG ARG 3 -37.879 -7.213 12.065 15 HG3 ARG 3 3HG ARG 3 -37.501 -8.547 10.975 16 HD2 ARG 3 2HD ARG 3 -35.752 -6.122 11.521 17 HD3 ARG 3 3HD ARG 3 -35.479 -7.767 12.100 18 HE ARG 3 HE ARG 3 -35.498 -8.243 9.516 19 HH11 ARG 3 1HH1 ARG 3 -33.881 -5.611 11.200 20 HH12 ARG 3 2HH1 ARG 3 -32.650 -5.441 9.995 21 HH21 ARG 3 1HH2 ARG 3 -33.877 -8.001 7.952 22 HH22 ARG 3 2HH2 ARG 3 -32.624 -6.825 8.176 23 H ARG 4 H ARG 4 -37.732 -2.752 9.432 24 HA ARG 4 HA ARG 4 -39.865 -2.682 7.389 25 HB2 ARG 4 2HB ARG 4 -38.344 -0.456 8.827 26 HB3 ARG 4 3HB ARG 4 -39.661 -0.202 7.686 27 HG2 ARG 4 2HG ARG 4 -41.257 -1.237 9.194 28 HG3 ARG 4 3HG ARG 4 -39.973 -1.701 10.317 29 HD2 ARG 4 2HD ARG 4 -41.253 0.313 11.068 30 HD3 ARG 4 3HD ARG 4 -39.530 0.639 10.848 31 HE ARG 4 HE ARG 4 -41.005 1.269 8.485 32 HH11 ARG 4 1HH1 ARG 4 -40.301 2.581 11.703 33 HH12 ARG 4 2HH1 ARG 4 -40.553 4.220 11.193 34 HH21 ARG 4 1HH2 ARG 4 -41.309 3.401 7.868 35 HH22 ARG 4 2HH2 ARG 4 -41.122 4.680 9.027 36 H VAL 5 H VAL 5 -37.079 -3.785 6.983 37 HA VAL 5 HA VAL 5 -35.110 -2.239 6.034 38 HB VAL 5 HB VAL 5 -34.670 -4.541 6.316 39 HG11 VAL 5 1HG1 VAL 5 -36.666 -5.199 4.126 40 HG12 VAL 5 2HG1 VAL 5 -36.888 -5.474 5.855 41 HG13 VAL 5 3HG1 VAL 5 -35.645 -6.366 4.974 42 HG21 VAL 5 3HG2 VAL 5 -33.532 -5.247 4.240 43 HG22 VAL 5 1HG2 VAL 5 -33.256 -3.538 4.574 44 HG23 VAL 5 2HG2 VAL 5 -34.405 -4.016 3.322 45 H ARG 6 H ARG 6 -35.519 -0.491 4.905 46 HA ARG 6 HA ARG 6 -35.952 0.989 3.299 47 HB2 ARG 6 2HB ARG 6 -33.825 -0.274 2.599 48 HB3 ARG 6 3HB ARG 6 -34.815 -1.109 1.407 49 HG2 ARG 6 2HG ARG 6 -33.589 0.764 0.402 50 HG3 ARG 6 3HG ARG 6 -35.332 1.035 0.314 51 HD2 ARG 6 2HD ARG 6 -34.047 3.076 0.949 52 HD3 ARG 6 3HD ARG 6 -35.238 2.611 2.164 53 HE ARG 6 HE ARG 6 -32.360 1.979 2.394 54 HH11 ARG 6 1HH1 ARG 6 -35.293 3.226 3.868 55 HH12 ARG 6 2HH1 ARG 6 -34.573 3.392 5.438 56 HH21 ARG 6 1HH2 ARG 6 -31.422 2.244 4.444 57 HH22 ARG 6 2HH2 ARG 6 -32.368 2.875 5.757 58 H LEU 7 H LEU 7 -38.297 0.556 3.735 59 HA LEU 7 HA LEU 7 -39.895 -1.092 2.101 60 HB2 LEU 7 2HB LEU 7 -40.615 -0.186 4.287 61 HB3 LEU 7 3HB LEU 7 -40.674 1.431 3.600 62 HG LEU 7 HG LEU 7 -42.499 0.628 2.036 63 HD11 LEU 7 1HD1 LEU 7 -43.684 -1.464 2.520 64 HD12 LEU 7 2HD1 LEU 7 -42.468 -1.880 3.731 65 HD13 LEU 7 3HD1 LEU 7 -42.015 -1.759 2.030 66 HD21 LEU 7 3HD2 LEU 7 -43.155 0.356 4.984 67 HD22 LEU 7 1HD2 LEU 7 -44.304 0.679 3.685 68 HD23 LEU 7 2HD2 LEU 7 -43.070 1.872 4.084 69 H ILE 8 H ILE 8 -38.925 2.284 1.773 70 HA ILE 8 HA ILE 8 -40.557 3.038 -0.399 71 HB ILE 8 HB ILE 8 -39.360 4.671 1.016 72 HG12 ILE 8 2HG1 ILE 8 -38.519 4.933 -1.915 73 HG13 ILE 8 3HG1 ILE 8 -40.080 5.408 -1.260 74 HG21 ILE 8 1HG2 ILE 8 -36.942 5.092 0.796 75 HG22 ILE 8 2HG2 ILE 8 -36.797 3.733 -0.318 76 HG23 ILE 8 3HG2 ILE 8 -37.253 3.449 1.361 77 HD11 ILE 8 3HD1 ILE 8 -38.680 7.341 -1.603 78 HD12 ILE 8 1HD1 ILE 8 -37.415 6.652 -0.587 79 HD13 ILE 8 2HD1 ILE 8 -38.963 7.116 0.123 80 H ARG 9 H ARG 9 -40.084 3.229 -2.647 81 HA ARG 9 HA ARG 9 -39.201 0.941 -3.944 82 HB2 ARG 9 2HB ARG 9 -40.824 2.617 -4.848 83 HB3 ARG 9 3HB ARG 9 -39.500 3.746 -5.097 84 HG2 ARG 9 2HG ARG 9 -40.084 2.754 -7.223 85 HG3 ARG 9 3HG ARG 9 -38.497 2.145 -6.748 86 HD2 ARG 9 2HD ARG 9 -39.526 0.031 -5.994 87 HD3 ARG 9 3HD ARG 9 -41.129 0.649 -6.421 88 HE ARG 9 HE ARG 9 -39.322 0.706 -8.637 89 HH11 ARG 9 1HH1 ARG 9 -41.432 -1.472 -6.836 90 HH12 ARG 9 2HH1 ARG 9 -41.608 -2.581 -8.156 91 HH21 ARG 9 1HH2 ARG 9 -39.567 -0.748 -10.338 92 HH22 ARG 9 2HH2 ARG 9 -40.522 -2.184 -10.136 93 H THR 10 H THR 10 -37.383 3.817 -3.100 94 HA THR 10 HA THR 10 -35.231 3.564 -4.910 95 HB THR 10 HB THR 10 -34.021 5.115 -3.316 96 HG1 THR 10 HG1 THR 10 -35.354 4.179 -1.451 97 HG21 THR 10 3HG2 THR 10 -35.484 6.033 -5.077 98 HG22 THR 10 1HG2 THR 10 -35.549 7.021 -3.617 99 HG23 THR 10 2HG2 THR 10 -36.876 5.918 -3.994 100 H ARG 11 H ARG 11 -34.480 1.473 -4.956 101 HA ARG 11 HA ARG 11 -33.096 0.375 -2.580 102 HB2 ARG 11 2HB ARG 11 -34.234 -0.952 -5.082 103 HB3 ARG 11 3HB ARG 11 -33.096 -1.789 -4.033 104 HG2 ARG 11 2HG ARG 11 -35.771 -0.688 -3.113 105 HG3 ARG 11 3HG ARG 11 -35.492 -2.366 -3.588 106 HD2 ARG 11 2HD ARG 11 -33.879 -2.646 -1.763 107 HD3 ARG 11 3HD ARG 11 -34.064 -0.946 -1.314 108 HE ARG 11 HE ARG 11 -36.286 -1.399 -0.587 109 HH11 ARG 11 1HH1 ARG 11 -34.549 -4.336 -1.394 110 HH12 ARG 11 2HH1 ARG 11 -35.564 -5.335 -0.402 111 HH21 ARG 11 1HH2 ARG 11 -37.555 -2.709 0.735 112 HH22 ARG 11 2HH2 ARG 11 -37.259 -4.414 0.814 113 H GLY 12 H GLY 12 -30.965 -0.193 -2.715 114 HA2 GLY 12 2HA GLY 12 -29.392 -0.163 -5.087 115 HA3 GLY 12 3HA GLY 12 -29.216 1.350 -4.205 116 H GLY 13 H GLY 13 -28.752 -2.115 -4.055 117 HA2 GLY 13 2HA GLY 13 -26.584 -1.705 -2.049 118 HA3 GLY 13 3HA GLY 13 -27.556 -3.171 -2.163 119 H ASN 14 H ASN 14 -26.740 -1.623 -5.123 120 HA ASN 14 HA ASN 14 -24.424 -3.393 -5.626 121 HB2 ASN 14 2HB ASN 14 -26.850 -3.063 -7.459 122 HB3 ASN 14 3HB ASN 14 -25.329 -3.788 -7.972 123 HD21 ASN 14 1HD2 ASN 14 -24.784 -5.852 -7.174 124 HD22 ASN 14 2HD2 ASN 14 -25.944 -6.881 -6.417 125 H THR 15 H THR 15 -23.116 -1.591 -5.339 126 HA THR 15 HA THR 15 -22.844 0.161 -7.669 127 HB THR 15 HB THR 15 -24.232 1.491 -6.093 128 HG1 THR 15 HG1 THR 15 -22.136 3.061 -5.730 129 HG21 THR 15 3HG2 THR 15 -23.315 2.266 -3.931 130 HG22 THR 15 1HG2 THR 15 -21.912 1.212 -4.140 131 HG23 THR 15 2HG2 THR 15 -23.522 0.514 -3.941 132 H LYS 16 H LYS 16 -20.738 1.426 -7.452 133 HA LYS 16 HA LYS 16 -18.504 1.592 -7.247 134 HB2 LYS 16 2HB LYS 16 -18.784 -0.114 -4.735 135 HB3 LYS 16 3HB LYS 16 -17.360 0.814 -5.168 136 HG2 LYS 16 2HG LYS 16 -20.078 2.015 -4.565 137 HG3 LYS 16 3HG LYS 16 -18.756 1.904 -3.407 138 HD2 LYS 16 2HD LYS 16 -18.681 3.464 -6.020 139 HD3 LYS 16 3HD LYS 16 -18.937 4.161 -4.420 140 HE2 LYS 16 2HE LYS 16 -16.699 3.396 -3.729 141 HE3 LYS 16 3HE LYS 16 -16.430 2.701 -5.328 142 HZ1 LYS 16 3HZ LYS 16 -16.837 5.578 -4.703 143 HZ2 LYS 16 1HZ LYS 16 -16.681 4.942 -6.263 144 HZ3 LYS 16 2HZ LYS 16 -15.392 4.840 -5.180 145 H VAL 17 H VAL 17 -17.005 0.589 -8.510 146 HA VAL 17 HA VAL 17 -17.060 -2.360 -8.714 147 HB VAL 17 HB VAL 17 -17.203 -1.054 -10.864 148 HG11 VAL 17 1HG1 VAL 17 -15.229 0.022 -11.821 149 HG12 VAL 17 2HG1 VAL 17 -14.318 -0.270 -10.337 150 HG13 VAL 17 3HG1 VAL 17 -15.704 0.826 -10.322 151 HG21 VAL 17 3HG2 VAL 17 -15.577 -2.433 -12.126 152 HG22 VAL 17 1HG2 VAL 17 -16.405 -3.377 -10.885 153 HG23 VAL 17 2HG2 VAL 17 -14.748 -2.835 -10.618 154 H ARG 18 H ARG 18 -15.451 -3.550 -7.904 155 HA ARG 18 HA ARG 18 -13.091 -2.239 -6.685 156 HB2 ARG 18 2HB ARG 18 -12.903 -4.509 -5.444 157 HB3 ARG 18 3HB ARG 18 -14.202 -3.423 -4.980 158 HG2 ARG 18 2HG ARG 18 -15.172 -5.578 -4.990 159 HG3 ARG 18 3HG ARG 18 -15.741 -4.814 -6.470 160 HD2 ARG 18 2HD ARG 18 -13.989 -6.062 -7.733 161 HD3 ARG 18 3HD ARG 18 -13.532 -6.882 -6.234 162 HE ARG 18 HE ARG 18 -16.083 -7.157 -7.694 163 HH11 ARG 18 1HH1 ARG 18 -13.888 -8.416 -5.255 164 HH12 ARG 18 2HH1 ARG 18 -14.827 -9.849 -4.968 165 HH21 ARG 18 1HH2 ARG 18 -17.291 -9.050 -7.343 166 HH22 ARG 18 2HH2 ARG 18 -16.771 -10.211 -6.163 167 H LEU 19 H LEU 19 -11.151 -3.936 -6.617 168 HA LEU 19 HA LEU 19 -10.064 -4.092 -9.178 169 HB2 LEU 19 2HB LEU 19 -8.210 -5.240 -8.263 170 HB3 LEU 19 3HB LEU 19 -8.752 -4.112 -7.041 171 HG LEU 19 HG LEU 19 -9.160 -7.136 -7.004 172 HD11 LEU 19 1HD1 LEU 19 -6.846 -6.478 -6.520 173 HD12 LEU 19 2HD1 LEU 19 -7.635 -7.154 -5.094 174 HD13 LEU 19 3HD1 LEU 19 -7.416 -5.405 -5.238 175 HD21 LEU 19 3HD2 LEU 19 -10.007 -5.094 -4.943 176 HD22 LEU 19 1HD2 LEU 19 -10.086 -6.849 -4.745 177 HD23 LEU 19 2HD2 LEU 19 -11.068 -6.055 -5.977 178 H ALA 20 H ALA 20 -10.362 -5.435 -10.819 179 HA ALA 20 HA ALA 20 -11.757 -8.030 -10.393 180 HB1 ALA 20 3HB ALA 20 -12.182 -6.056 -12.676 181 HB2 ALA 20 1HB ALA 20 -13.292 -6.309 -11.324 182 HB3 ALA 20 2HB ALA 20 -12.992 -7.613 -12.480 183 H SER 21 H SER 21 -10.584 -6.684 -13.435 184 HA SER 21 HA SER 21 -8.653 -8.864 -13.758 185 HB2 SER 21 2HB SER 21 -9.366 -6.616 -15.702 186 HB3 SER 21 3HB SER 21 -8.436 -8.074 -16.067 187 HG SER 21 HG SER 21 -10.501 -9.148 -15.219 188 H ASP 22 H ASP 22 -8.869 -5.482 -13.149 189 HA ASP 22 HA ASP 22 -6.032 -4.935 -12.971 190 HB2 ASP 22 2HB ASP 22 -6.758 -2.769 -12.066 191 HB3 ASP 22 3HB ASP 22 -7.654 -3.163 -13.528 192 H THR 23 H THR 23 -5.054 -4.242 -10.889 193 HA THR 23 HA THR 23 -6.115 -5.670 -8.514 194 HB THR 23 HB THR 23 -3.177 -5.594 -9.345 195 HG1 THR 23 HG1 THR 23 -5.112 -7.705 -9.306 196 HG21 THR 23 3HG2 THR 23 -2.823 -7.148 -7.436 197 HG22 THR 23 1HG2 THR 23 -4.532 -6.984 -6.986 198 HG23 THR 23 2HG2 THR 23 -3.449 -5.599 -6.878 199 H ARG 24 H ARG 24 -6.533 -4.276 -6.982 200 HA ARG 24 HA ARG 24 -4.994 -1.755 -6.718 201 HB2 ARG 24 2HB ARG 24 -7.857 -2.305 -5.803 202 HB3 ARG 24 3HB ARG 24 -7.006 -0.760 -5.750 203 HG2 ARG 24 2HG ARG 24 -6.943 -0.729 -8.237 204 HG3 ARG 24 3HG ARG 24 -7.832 -2.256 -8.258 205 HD2 ARG 24 2HD ARG 24 -9.668 -1.098 -6.983 206 HD3 ARG 24 3HD ARG 24 -8.814 0.422 -7.224 207 HE ARG 24 HE ARG 24 -9.843 -1.271 -9.428 208 HH11 ARG 24 1HH1 ARG 24 -9.116 1.927 -8.195 209 HH12 ARG 24 2HH1 ARG 24 -10.031 2.743 -9.419 210 HH21 ARG 24 1HH2 ARG 24 -11.017 -0.178 -11.064 211 HH22 ARG 24 2HH2 ARG 24 -11.092 1.553 -11.055 212 H ILE 25 H ILE 25 -4.813 -0.920 -4.518 213 HA ILE 25 HA ILE 25 -5.139 -2.811 -2.291 214 HB ILE 25 HB ILE 25 -2.800 -3.107 -3.008 215 HG12 ILE 25 2HG1 ILE 25 -2.788 -1.414 -0.467 216 HG13 ILE 25 3HG1 ILE 25 -3.318 -3.087 -0.527 217 HG21 ILE 25 1HG2 ILE 25 -2.433 -1.002 -4.197 218 HG22 ILE 25 2HG2 ILE 25 -1.155 -1.259 -3.008 219 HG23 ILE 25 3HG2 ILE 25 -2.452 -0.111 -2.672 220 HD11 ILE 25 3HD1 ILE 25 -1.071 -2.905 0.337 221 HD12 ILE 25 1HD1 ILE 25 -0.538 -2.098 -1.140 222 HD13 ILE 25 2HD1 ILE 25 -1.074 -3.780 -1.194 223 H ASN 26 H ASN 26 -5.837 -1.769 -0.432 224 HA ASN 26 HA ASN 26 -6.411 1.103 -0.595 225 HB2 ASN 26 2HB ASN 26 -7.076 -0.839 1.658 226 HB3 ASN 26 3HB ASN 26 -7.725 0.778 1.442 227 HD21 ASN 26 1HD2 ASN 26 -7.819 -2.509 0.311 228 HD22 ASN 26 2HD2 ASN 26 -9.287 -2.361 -0.587 229 H VAL 27 H VAL 27 -4.689 2.340 -0.125 230 HA VAL 27 HA VAL 27 -2.502 1.342 1.541 231 HB VAL 27 HB VAL 27 -2.646 3.834 -0.231 232 HG11 VAL 27 1HG1 VAL 27 -0.924 4.029 1.511 233 HG12 VAL 27 2HG1 VAL 27 -0.175 3.841 -0.074 234 HG13 VAL 27 3HG1 VAL 27 -0.238 2.473 1.042 235 HG21 VAL 27 3HG2 VAL 27 -1.345 2.551 -1.890 236 HG22 VAL 27 1HG2 VAL 27 -2.913 1.799 -1.585 237 HG23 VAL 27 2HG2 VAL 27 -1.450 1.109 -0.878 238 H VAL 28 H VAL 28 -2.035 2.213 3.475 239 HA VAL 28 HA VAL 28 -3.605 4.508 4.514 240 HB VAL 28 HB VAL 28 -2.163 2.305 6.094 241 HG11 VAL 28 1HG1 VAL 28 -3.412 3.147 8.047 242 HG12 VAL 28 2HG1 VAL 28 -4.134 4.418 7.060 243 HG13 VAL 28 3HG1 VAL 28 -2.393 4.409 7.353 244 HG21 VAL 28 3HG2 VAL 28 -4.378 1.328 6.572 245 HG22 VAL 28 1HG2 VAL 28 -4.038 1.320 4.839 246 HG23 VAL 28 2HG2 VAL 28 -5.143 2.520 5.517 247 H ASP 29 H ASP 29 -2.340 6.294 4.289 248 HA ASP 29 HA ASP 29 0.501 6.297 4.286 249 HB2 ASP 29 2HB ASP 29 -1.008 8.125 3.285 250 HB3 ASP 29 3HB ASP 29 -1.240 8.723 4.931 251 HA PRO 30 HA PRO 30 0.748 5.266 8.570 252 HB2 PRO 30 2HB PRO 30 3.442 5.557 9.017 253 HB3 PRO 30 3HB PRO 30 2.760 4.248 8.043 254 HG2 PRO 30 2HG PRO 30 3.950 6.866 7.114 255 HG3 PRO 30 3HG PRO 30 4.254 5.225 6.502 256 HD2 PRO 30 2HD PRO 30 2.546 6.905 5.244 257 HD3 PRO 30 3HD PRO 30 2.238 5.153 5.315 258 H GLU 31 H GLU 31 2.067 8.394 7.598 259 HA GLU 31 HA GLU 31 2.272 9.298 10.392 260 HB2 GLU 31 2HB GLU 31 3.493 11.259 9.371 261 HB3 GLU 31 3HB GLU 31 4.263 9.692 9.176 262 HG2 GLU 31 2HG GLU 31 3.226 9.623 6.840 263 HG3 GLU 31 3HG GLU 31 2.806 11.321 7.080 264 H THR 32 H THR 32 0.606 10.231 7.369 265 HA THR 32 HA THR 32 -0.806 12.402 8.740 266 HB THR 32 HB THR 32 -1.812 12.906 6.547 267 HG1 THR 32 HG1 THR 32 -0.338 11.136 5.077 268 HG21 THR 32 3HG2 THR 32 0.440 13.835 7.011 269 HG22 THR 32 1HG2 THR 32 0.228 13.482 5.290 270 HG23 THR 32 2HG2 THR 32 1.176 12.394 6.301 271 H GLY 33 H GLY 33 -1.341 9.077 7.935 272 HA2 GLY 33 2HA GLY 33 -3.018 7.656 8.682 273 HA3 GLY 33 3HA GLY 33 -3.906 9.034 9.307 274 H LYS 34 H LYS 34 -3.069 9.685 6.135 275 HA LYS 34 HA LYS 34 -5.753 9.597 5.196 276 HB2 LYS 34 2HB LYS 34 -3.114 10.087 3.772 277 HB3 LYS 34 3HB LYS 34 -4.667 10.204 2.951 278 HG2 LYS 34 2HG LYS 34 -3.849 11.873 5.351 279 HG3 LYS 34 3HG LYS 34 -3.737 12.403 3.669 280 HD2 LYS 34 2HD LYS 34 -6.210 12.124 3.439 281 HD3 LYS 34 3HD LYS 34 -6.304 11.661 5.142 282 HE2 LYS 34 2HE LYS 34 -6.925 14.024 4.815 283 HE3 LYS 34 3HE LYS 34 -5.473 13.885 5.806 284 HZ1 LYS 34 3HZ LYS 34 -4.136 14.517 3.955 285 HZ2 LYS 34 1HZ LYS 34 -5.386 15.643 4.101 286 HZ3 LYS 34 2HZ LYS 34 -5.453 14.461 2.892 287 H VAL 35 H VAL 35 -6.740 7.674 4.899 288 HA VAL 35 HA VAL 35 -5.410 5.441 3.522 289 HB VAL 35 HB VAL 35 -8.277 5.570 4.624 290 HG11 VAL 35 1HG1 VAL 35 -7.976 3.815 2.929 291 HG12 VAL 35 2HG1 VAL 35 -8.193 3.099 4.525 292 HG13 VAL 35 3HG1 VAL 35 -6.583 3.176 3.802 293 HG21 VAL 35 3HG2 VAL 35 -7.458 4.322 6.585 294 HG22 VAL 35 1HG2 VAL 35 -6.656 5.891 6.456 295 HG23 VAL 35 2HG2 VAL 35 -5.805 4.422 5.976 296 H GLU 36 H GLU 36 -5.687 5.096 1.396 297 HA GLU 36 HA GLU 36 -7.965 6.042 -0.123 298 HB2 GLU 36 2HB GLU 36 -6.461 8.054 0.005 299 HB3 GLU 36 3HB GLU 36 -5.154 7.108 -0.693 300 HG2 GLU 36 2HG GLU 36 -6.422 6.859 -2.789 301 HG3 GLU 36 3HG GLU 36 -7.775 7.753 -2.095 302 H ILE 37 H ILE 37 -8.074 5.026 -2.151 303 HA ILE 37 HA ILE 37 -6.755 2.431 -2.237 304 HB ILE 37 HB ILE 37 -8.832 3.553 -4.185 305 HG12 ILE 37 2HG1 ILE 37 -9.275 1.814 -1.705 306 HG13 ILE 37 3HG1 ILE 37 -9.724 3.507 -1.855 307 HG21 ILE 37 1HG2 ILE 37 -9.228 1.174 -4.795 308 HG22 ILE 37 2HG2 ILE 37 -7.958 0.669 -3.679 309 HG23 ILE 37 3HG2 ILE 37 -7.550 1.635 -5.099 310 HD11 ILE 37 3HD1 ILE 37 -11.646 2.064 -2.078 311 HD12 ILE 37 1HD1 ILE 37 -10.890 1.218 -3.428 312 HD13 ILE 37 2HD1 ILE 37 -11.340 2.916 -3.591 313 H ALA 38 H ALA 38 -5.271 1.807 -3.748 314 HA ALA 38 HA ALA 38 -4.306 3.763 -5.750 315 HB1 ALA 38 3HB ALA 38 -2.557 1.983 -4.004 316 HB2 ALA 38 1HB ALA 38 -2.756 3.728 -3.824 317 HB3 ALA 38 2HB ALA 38 -1.996 3.076 -5.274 318 H GLU 39 H GLU 39 -3.105 2.742 -7.492 319 HA GLU 39 HA GLU 39 -4.276 0.122 -8.259 320 HB2 GLU 39 2HB GLU 39 -2.955 2.170 -10.105 321 HB3 GLU 39 3HB GLU 39 -3.963 0.804 -10.560 322 HG2 GLU 39 2HG GLU 39 -4.874 3.345 -9.183 323 HG3 GLU 39 3HG GLU 39 -5.183 2.882 -10.854 324 H ILE 40 H ILE 40 -2.813 -1.576 -8.288 325 HA ILE 40 HA ILE 40 -0.055 -1.066 -7.557 326 HB ILE 40 HB ILE 40 -1.466 -3.718 -8.124 327 HG12 ILE 40 2HG1 ILE 40 -0.829 -2.281 -5.502 328 HG13 ILE 40 3HG1 ILE 40 -2.426 -2.592 -6.161 329 HG21 ILE 40 1HG2 ILE 40 0.478 -4.787 -7.001 330 HG22 ILE 40 2HG2 ILE 40 1.281 -3.218 -6.902 331 HG23 ILE 40 3HG2 ILE 40 0.957 -3.948 -8.476 332 HD11 ILE 40 3HD1 ILE 40 -1.944 -4.064 -4.316 333 HD12 ILE 40 1HD1 ILE 40 -0.497 -4.663 -5.126 334 HD13 ILE 40 2HD1 ILE 40 -2.092 -4.994 -5.805 335 H ARG 41 H ARG 41 1.259 -0.399 -9.072 336 HA ARG 41 HA ARG 41 1.048 -0.901 -11.875 337 HB2 ARG 41 2HB ARG 41 3.234 0.350 -10.168 338 HB3 ARG 41 3HB ARG 41 3.313 0.263 -11.926 339 HG2 ARG 41 2HG ARG 41 1.211 1.615 -12.043 340 HG3 ARG 41 3HG ARG 41 1.256 1.776 -10.287 341 HD2 ARG 41 2HD ARG 41 3.263 3.071 -10.352 342 HD3 ARG 41 3HD ARG 41 3.575 2.637 -12.038 343 HE ARG 41 HE ARG 41 1.140 4.149 -11.470 344 HH11 ARG 41 1HH1 ARG 41 4.454 4.277 -12.663 345 HH12 ARG 41 2HH1 ARG 41 4.198 5.766 -13.514 346 HH21 ARG 41 1HH2 ARG 41 0.836 6.080 -12.609 347 HH22 ARG 41 2HH2 ARG 41 2.156 6.777 -13.494 348 H ASN 42 H ASN 42 3.354 -1.949 -9.359 349 HA ASN 42 HA ASN 42 4.050 -4.363 -10.904 350 HB2 ASN 42 2HB ASN 42 6.091 -2.358 -9.851 351 HB3 ASN 42 3HB ASN 42 6.500 -3.964 -10.438 352 HD21 ASN 42 1HD2 ASN 42 6.324 -4.387 -12.661 353 HD22 ASN 42 2HD2 ASN 42 6.277 -3.125 -13.839 354 H VAL 43 H VAL 43 5.231 -5.957 -9.566 355 HA VAL 43 HA VAL 43 4.934 -5.616 -6.627 356 HB VAL 43 HB VAL 43 4.272 -8.145 -8.222 357 HG11 VAL 43 1HG1 VAL 43 3.492 -9.115 -6.082 358 HG12 VAL 43 2HG1 VAL 43 4.049 -7.674 -5.226 359 HG13 VAL 43 3HG1 VAL 43 5.214 -8.728 -6.030 360 HG21 VAL 43 3HG2 VAL 43 2.390 -6.282 -6.729 361 HG22 VAL 43 1HG2 VAL 43 1.931 -7.798 -7.510 362 HG23 VAL 43 2HG2 VAL 43 2.512 -6.445 -8.484 363 H VAL 44 H VAL 44 7.027 -5.443 -6.009 364 HA VAL 44 HA VAL 44 8.885 -7.585 -6.370 365 HB VAL 44 HB VAL 44 9.143 -6.559 -8.592 366 HG11 VAL 44 1HG1 VAL 44 9.939 -3.959 -7.245 367 HG12 VAL 44 2HG1 VAL 44 8.430 -4.253 -8.112 368 HG13 VAL 44 3HG1 VAL 44 9.966 -4.291 -8.980 369 HG21 VAL 44 3HG2 VAL 44 11.576 -6.056 -6.852 370 HG22 VAL 44 1HG2 VAL 44 11.593 -6.155 -8.613 371 HG23 VAL 44 2HG2 VAL 44 11.148 -7.565 -7.655 372 H GLU 45 H GLU 45 9.244 -7.659 -4.210 373 HA GLU 45 HA GLU 45 9.231 -5.347 -2.519 374 HB2 GLU 45 2HB GLU 45 9.609 -6.883 -0.621 375 HB3 GLU 45 3HB GLU 45 8.279 -7.393 -1.635 376 HG2 GLU 45 2HG GLU 45 11.035 -8.628 -1.846 377 HG3 GLU 45 3HG GLU 45 9.817 -9.213 -0.715 378 H ASN 46 H ASN 46 11.799 -7.503 -3.658 379 HA ASN 46 HA ASN 46 13.874 -6.261 -2.070 380 HB2 ASN 46 2HB ASN 46 13.953 -8.665 -2.773 381 HB3 ASN 46 3HB ASN 46 14.124 -8.154 -4.448 382 HD21 ASN 46 1HD2 ASN 46 16.139 -9.124 -4.711 383 HD22 ASN 46 2HD2 ASN 46 17.571 -8.559 -3.932 384 H THR 47 H THR 47 12.326 -5.570 -5.032 385 HA THR 47 HA THR 47 12.542 -4.286 -6.800 386 HB THR 47 HB THR 47 13.794 -2.173 -6.799 387 HG1 THR 47 HG1 THR 47 14.756 -2.551 -4.200 388 HG21 THR 47 3HG2 THR 47 12.402 -2.692 -4.148 389 HG22 THR 47 1HG2 THR 47 11.622 -2.218 -5.658 390 HG23 THR 47 2HG2 THR 47 12.721 -1.103 -4.846 391 H ALA 48 H ALA 48 15.942 -4.697 -5.667 392 HA ALA 48 HA ALA 48 16.969 -5.200 -8.287 393 HB1 ALA 48 3HB ALA 48 19.050 -5.830 -7.133 394 HB2 ALA 48 1HB ALA 48 18.207 -5.834 -5.582 395 HB3 ALA 48 2HB ALA 48 18.402 -4.325 -6.481 396 H ASN 49 H ASN 49 15.322 -6.739 -8.910 397 HA ASN 49 HA ASN 49 16.159 -9.424 -9.011 398 HB2 ASN 49 2HB ASN 49 15.180 -9.394 -6.648 399 HB3 ASN 49 3HB ASN 49 13.621 -9.000 -7.355 400 HD21 ASN 49 1HD2 ASN 49 14.365 -11.289 -5.732 401 HD22 ASN 49 2HD2 ASN 49 14.004 -12.695 -6.661 402 HA PRO 50 HA PRO 50 13.199 -7.842 -12.269 403 HB2 PRO 50 2HB PRO 50 14.872 -7.514 -14.324 404 HB3 PRO 50 3HB PRO 50 14.936 -6.387 -12.958 405 HG2 PRO 50 2HG PRO 50 16.755 -8.712 -13.586 406 HG3 PRO 50 3HG PRO 50 17.178 -7.091 -12.994 407 HD2 PRO 50 2HD PRO 50 16.867 -9.383 -11.384 408 HD3 PRO 50 3HD PRO 50 16.860 -7.707 -10.799 409 H HIS 51 H HIS 51 12.829 -10.314 -11.550 410 HA HIS 51 HA HIS 51 13.837 -12.425 -13.160 411 HB2 HIS 51 2HB HIS 51 12.795 -12.532 -10.790 412 HB3 HIS 51 3HB HIS 51 11.225 -12.484 -11.580 413 HD1 HIS 51 HD1 HIS 51 11.676 -14.856 -9.913 414 HD2 HIS 51 HD2 HIS 51 12.986 -14.778 -13.851 415 HE1 HIS 51 HE1 HIS 51 11.980 -17.250 -10.571 416 HE2 HIS 51 HE2 HIS 51 12.981 -17.159 -12.877 417 H PHE 52 H PHE 52 13.291 -12.971 -15.207 418 HA PHE 52 HA PHE 52 11.793 -11.342 -16.851 419 HB2 PHE 52 2HB PHE 52 12.030 -13.088 -18.609 420 HB3 PHE 52 3HB PHE 52 13.527 -12.769 -17.749 421 HD1 PHE 52 HD2 PHE 52 14.467 -14.475 -16.161 422 HD2 PHE 52 HD1 PHE 52 10.970 -15.304 -18.497 423 HE1 PHE 52 HE2 PHE 52 14.722 -16.874 -15.710 424 HE2 PHE 52 HE1 PHE 52 11.240 -17.700 -18.039 425 HZ PHE 52 HZ PHE 52 13.114 -18.491 -16.646 426 H VAL 53 H VAL 53 10.715 -14.330 -15.276 427 HA VAL 53 HA VAL 53 8.204 -14.434 -16.654 428 HB VAL 53 HB VAL 53 9.245 -16.504 -15.816 429 HG11 VAL 53 1HG1 VAL 53 10.281 -15.716 -13.755 430 HG12 VAL 53 2HG1 VAL 53 9.257 -17.113 -13.435 431 HG13 VAL 53 3HG1 VAL 53 8.698 -15.493 -13.006 432 HG21 VAL 53 3HG2 VAL 53 7.237 -17.552 -14.849 433 HG22 VAL 53 1HG2 VAL 53 6.823 -16.479 -16.188 434 HG23 VAL 53 2HG2 VAL 53 6.555 -15.957 -14.522 435 H ARG 54 H ARG 54 6.692 -12.965 -16.332 436 HA ARG 54 HA ARG 54 6.565 -11.178 -14.094 437 HB2 ARG 54 2HB ARG 54 4.613 -11.586 -16.406 438 HB3 ARG 54 3HB ARG 54 4.520 -10.267 -15.243 439 HG2 ARG 54 2HG ARG 54 6.696 -9.401 -16.031 440 HG3 ARG 54 3HG ARG 54 6.822 -10.736 -17.179 441 HD2 ARG 54 2HD ARG 54 6.059 -8.680 -18.303 442 HD3 ARG 54 3HD ARG 54 4.799 -9.918 -18.348 443 HE ARG 54 HE ARG 54 4.356 -8.339 -16.083 444 HH11 ARG 54 1HH1 ARG 54 4.272 -7.871 -19.582 445 HH12 ARG 54 2HH1 ARG 54 3.073 -6.623 -19.503 446 HH21 ARG 54 1HH2 ARG 54 2.779 -6.707 -16.021 447 HH22 ARG 54 2HH2 ARG 54 2.210 -5.984 -17.495 448 H ARG 55 H ARG 55 6.198 -12.389 -12.254 449 HA ARG 55 HA ARG 55 3.475 -13.535 -11.930 450 HB2 ARG 55 2HB ARG 55 5.992 -14.369 -10.406 451 HB3 ARG 55 3HB ARG 55 4.382 -15.059 -10.219 452 HG2 ARG 55 2HG ARG 55 6.140 -15.262 -12.685 453 HG3 ARG 55 3HG ARG 55 5.847 -16.543 -11.514 454 HD2 ARG 55 2HD ARG 55 3.702 -15.275 -13.252 455 HD3 ARG 55 3HD ARG 55 4.522 -16.793 -13.611 456 HE ARG 55 HE ARG 55 3.575 -17.408 -11.250 457 HH11 ARG 55 1HH1 ARG 55 1.858 -15.616 -13.749 458 HH12 ARG 55 2HH1 ARG 55 0.307 -16.258 -13.312 459 HH21 ARG 55 1HH2 ARG 55 1.555 -18.263 -10.729 460 HH22 ARG 55 2HH2 ARG 55 0.136 -17.764 -11.597 461 H ASN 56 H ASN 56 2.400 -11.865 -11.034 462 HA ASN 56 HA ASN 56 3.594 -10.138 -9.015 463 HB2 ASN 56 2HB ASN 56 1.492 -8.850 -9.162 464 HB3 ASN 56 3HB ASN 56 2.194 -9.105 -10.751 465 HD21 ASN 56 1HD2 ASN 56 -0.576 -8.482 -9.914 466 HD22 ASN 56 2HD2 ASN 56 -1.558 -9.708 -10.630 467 H ILE 57 H ILE 57 3.773 -12.447 -7.905 468 HA ILE 57 HA ILE 57 1.489 -13.286 -6.359 469 HB ILE 57 HB ILE 57 4.417 -14.042 -5.929 470 HG12 ILE 57 2HG1 ILE 57 3.818 -14.594 -8.246 471 HG13 ILE 57 3HG1 ILE 57 3.967 -16.073 -7.311 472 HG21 ILE 57 1HG2 ILE 57 2.990 -14.613 -4.014 473 HG22 ILE 57 2HG2 ILE 57 3.486 -16.085 -4.852 474 HG23 ILE 57 3HG2 ILE 57 1.856 -15.450 -5.079 475 HD11 ILE 57 3HD1 ILE 57 2.091 -16.198 -8.844 476 HD12 ILE 57 1HD1 ILE 57 1.385 -14.744 -8.138 477 HD13 ILE 57 2HD1 ILE 57 1.512 -16.218 -7.177 478 H ILE 58 H ILE 58 0.832 -11.561 -5.120 479 HA ILE 58 HA ILE 58 2.666 -9.879 -3.636 480 HB ILE 58 HB ILE 58 -0.393 -9.942 -3.673 481 HG12 ILE 58 2HG1 ILE 58 1.551 -8.107 -5.157 482 HG13 ILE 58 3HG1 ILE 58 0.700 -9.458 -5.889 483 HG21 ILE 58 1HG2 ILE 58 1.461 -7.775 -2.593 484 HG22 ILE 58 2HG2 ILE 58 0.458 -8.846 -1.614 485 HG23 ILE 58 3HG2 ILE 58 -0.298 -7.671 -2.691 486 HD11 ILE 58 3HD1 ILE 58 -0.549 -6.962 -4.774 487 HD12 ILE 58 1HD1 ILE 58 -1.421 -8.320 -5.490 488 HD13 ILE 58 2HD1 ILE 58 -0.315 -7.364 -6.475 489 H THR 59 H THR 59 3.287 -10.187 -1.571 490 HA THR 59 HA THR 59 1.829 -12.092 0.178 491 HB THR 59 HB THR 59 4.041 -12.755 1.147 492 HG1 THR 59 HG1 THR 59 5.034 -11.039 -0.904 493 HG21 THR 59 3HG2 THR 59 3.914 -13.188 -1.870 494 HG22 THR 59 1HG2 THR 59 3.096 -14.169 -0.651 495 HG23 THR 59 2HG2 THR 59 4.858 -14.146 -0.724 496 H ARG 60 H ARG 60 2.183 -11.675 2.497 497 HA ARG 60 HA ARG 60 1.915 -8.880 3.116 498 HB2 ARG 60 2HB ARG 60 0.523 -10.535 4.261 499 HB3 ARG 60 3HB ARG 60 1.946 -11.335 4.925 500 HG2 ARG 60 2HG ARG 60 2.446 -9.433 6.336 501 HG3 ARG 60 3HG ARG 60 1.202 -8.457 5.550 502 HD2 ARG 60 2HD ARG 60 0.471 -9.263 7.756 503 HD3 ARG 60 3HD ARG 60 -0.542 -9.904 6.459 504 HE ARG 60 HE ARG 60 0.840 -11.998 6.668 505 HH11 ARG 60 1HH1 ARG 60 0.568 -9.864 9.443 506 HH12 ARG 60 2HH1 ARG 60 0.658 -11.156 10.593 507 HH21 ARG 60 1HH2 ARG 60 0.953 -13.680 8.200 508 HH22 ARG 60 2HH2 ARG 60 0.872 -13.310 9.891 509 H GLY 61 H GLY 61 3.406 -7.549 3.847 510 HA2 GLY 61 2HA GLY 61 5.338 -6.805 4.978 511 HA3 GLY 61 3HA GLY 61 6.010 -8.424 4.898 512 H ALA 62 H ALA 62 4.717 -7.767 1.930 513 HA ALA 62 HA ALA 62 7.368 -7.241 0.762 514 HB1 ALA 62 3HB ALA 62 6.083 -9.184 -0.030 515 HB2 ALA 62 1HB ALA 62 6.355 -8.019 -1.335 516 HB3 ALA 62 2HB ALA 62 4.776 -8.123 -0.548 517 H VAL 63 H VAL 63 7.776 -5.558 -0.634 518 HA VAL 63 HA VAL 63 6.039 -3.226 -0.652 519 HB VAL 63 HB VAL 63 8.725 -3.692 -2.042 520 HG11 VAL 63 1HG1 VAL 63 8.778 -1.248 -2.441 521 HG12 VAL 63 2HG1 VAL 63 7.146 -1.100 -1.783 522 HG13 VAL 63 3HG1 VAL 63 7.419 -2.009 -3.272 523 HG21 VAL 63 3HG2 VAL 63 8.087 -2.076 0.450 524 HG22 VAL 63 1HG2 VAL 63 9.677 -2.234 -0.304 525 HG23 VAL 63 2HG2 VAL 63 8.897 -3.640 0.421 526 H VAL 64 H VAL 64 4.398 -3.158 -2.019 527 HA VAL 64 HA VAL 64 4.723 -4.054 -4.814 528 HB VAL 64 HB VAL 64 2.280 -3.661 -5.076 529 HG11 VAL 64 1HG1 VAL 64 1.477 -5.604 -3.803 530 HG12 VAL 64 2HG1 VAL 64 2.913 -5.547 -2.775 531 HG13 VAL 64 3HG1 VAL 64 3.068 -5.911 -4.498 532 HG21 VAL 64 3HG2 VAL 64 0.816 -3.268 -3.111 533 HG22 VAL 64 1HG2 VAL 64 1.921 -1.913 -3.373 534 HG23 VAL 64 2HG2 VAL 64 2.240 -3.076 -2.086 535 H GLU 65 H GLU 65 4.490 -2.550 -6.461 536 HA GLU 65 HA GLU 65 5.135 0.233 -5.766 537 HB2 GLU 65 2HB GLU 65 6.651 -1.093 -7.333 538 HB3 GLU 65 3HB GLU 65 5.307 -1.189 -8.470 539 HG2 GLU 65 2HG GLU 65 6.817 0.576 -9.155 540 HG3 GLU 65 3HG GLU 65 5.296 1.297 -8.627 541 H THR 66 H THR 66 3.533 1.716 -6.014 542 HA THR 66 HA THR 66 1.076 0.997 -7.541 543 HB THR 66 HB THR 66 -0.280 2.157 -5.817 544 HG1 THR 66 HG1 THR 66 2.023 2.287 -4.154 545 HG21 THR 66 3HG2 THR 66 1.508 0.028 -4.586 546 HG22 THR 66 1HG2 THR 66 0.030 -0.262 -5.514 547 HG23 THR 66 2HG2 THR 66 -0.053 0.553 -3.953 548 H ASN 67 H ASN 67 -0.328 3.228 -7.665 549 HA ASN 67 HA ASN 67 1.242 5.219 -8.991 550 HB2 ASN 67 2HB ASN 67 -1.612 5.462 -7.944 551 HB3 ASN 67 3HB ASN 67 -0.840 6.563 -9.079 552 HD21 ASN 67 1HD2 ASN 67 -3.224 5.361 -9.687 553 HD22 ASN 67 2HD2 ASN 67 -2.988 4.219 -10.961 554 H LEU 68 H LEU 68 0.336 4.742 -5.635 555 HA LEU 68 HA LEU 68 0.766 7.518 -4.860 556 HB2 LEU 68 2HB LEU 68 0.075 5.024 -3.272 557 HB3 LEU 68 3HB LEU 68 0.349 6.586 -2.517 558 HG LEU 68 HG LEU 68 -1.876 5.938 -4.499 559 HD11 LEU 68 1HD1 LEU 68 -2.041 6.570 -1.534 560 HD12 LEU 68 2HD1 LEU 68 -2.302 4.985 -2.269 561 HD13 LEU 68 3HD1 LEU 68 -3.412 6.310 -2.614 562 HD21 LEU 68 3HD2 LEU 68 -2.716 8.224 -4.073 563 HD22 LEU 68 1HD2 LEU 68 -1.121 8.255 -4.829 564 HD23 LEU 68 2HD2 LEU 68 -1.287 8.577 -3.102 565 H GLY 69 H GLY 69 2.570 4.493 -4.841 566 HA2 GLY 69 2HA GLY 69 5.085 5.288 -4.936 567 HA3 GLY 69 3HA GLY 69 4.749 5.639 -3.239 568 H ASN 70 H ASN 70 6.233 4.077 -2.524 569 HA ASN 70 HA ASN 70 5.832 1.246 -3.148 570 HB2 ASN 70 2HB ASN 70 7.649 2.554 -1.066 571 HB3 ASN 70 3HB ASN 70 7.700 0.868 -1.576 572 HD21 ASN 70 1HD2 ASN 70 7.344 1.507 -4.458 573 HD22 ASN 70 2HD2 ASN 70 8.864 2.174 -4.931 574 H VAL 71 H VAL 71 4.487 -0.045 -2.000 575 HA VAL 71 HA VAL 71 3.524 0.875 0.655 576 HB VAL 71 HB VAL 71 1.991 -0.787 -1.408 577 HG11 VAL 71 1HG1 VAL 71 0.028 -0.368 0.025 578 HG12 VAL 71 2HG1 VAL 71 1.046 0.489 1.185 579 HG13 VAL 71 3HG1 VAL 71 1.285 -1.238 0.906 580 HG21 VAL 71 3HG2 VAL 71 2.313 1.503 -2.242 581 HG22 VAL 71 1HG2 VAL 71 1.653 2.169 -0.742 582 HG23 VAL 71 2HG2 VAL 71 0.626 1.221 -1.822 583 H ARG 72 H ARG 72 3.891 -0.466 2.301 584 HA ARG 72 HA ARG 72 4.865 -3.219 1.923 585 HB2 ARG 72 2HB ARG 72 4.478 -1.473 4.403 586 HB3 ARG 72 3HB ARG 72 4.890 -3.177 4.518 587 HG2 ARG 72 2HG ARG 72 6.589 -1.144 3.067 588 HG3 ARG 72 3HG ARG 72 6.820 -1.588 4.756 589 HD2 ARG 72 2HD ARG 72 7.249 -3.921 4.088 590 HD3 ARG 72 3HD ARG 72 6.989 -3.492 2.396 591 HE ARG 72 HE ARG 72 9.133 -2.744 2.309 592 HH11 ARG 72 1HH1 ARG 72 8.271 -2.748 5.723 593 HH12 ARG 72 2HH1 ARG 72 9.839 -2.214 6.232 594 HH21 ARG 72 1HH2 ARG 72 11.189 -2.080 3.005 595 HH22 ARG 72 2HH2 ARG 72 11.495 -1.843 4.695 596 H VAL 73 H VAL 73 3.411 -4.870 1.880 597 HA VAL 73 HA VAL 73 0.598 -4.440 2.295 598 HB VAL 73 HB VAL 73 2.144 -7.042 1.863 599 HG11 VAL 73 1HG1 VAL 73 -0.021 -7.998 1.108 600 HG12 VAL 73 2HG1 VAL 73 -0.837 -6.504 1.586 601 HG13 VAL 73 3HG1 VAL 73 -0.061 -7.515 2.806 602 HG21 VAL 73 3HG2 VAL 73 1.480 -6.836 -0.514 603 HG22 VAL 73 1HG2 VAL 73 2.481 -5.474 -0.004 604 HG23 VAL 73 2HG2 VAL 73 0.735 -5.274 -0.170 605 H THR 74 H THR 74 -0.054 -4.111 4.386 606 HA THR 74 HA THR 74 1.471 -5.301 6.612 607 HB THR 74 HB THR 74 0.331 -3.556 8.025 608 HG1 THR 74 HG1 THR 74 -0.990 -2.091 7.103 609 HG21 THR 74 3HG2 THR 74 1.642 -1.652 7.183 610 HG22 THR 74 1HG2 THR 74 1.844 -2.458 5.625 611 HG23 THR 74 2HG2 THR 74 2.576 -3.143 7.077 612 H SER 75 H SER 75 -1.624 -5.295 5.085 613 HA SER 75 HA SER 75 -2.753 -7.149 7.092 614 HB2 SER 75 2HB SER 75 -4.179 -5.254 6.196 615 HB3 SER 75 3HB SER 75 -4.072 -5.985 4.592 616 HG SER 75 HG SER 75 -5.924 -6.500 6.138 617 H ARG 76 H ARG 76 -4.066 -8.983 5.740 618 HA ARG 76 HA ARG 76 -2.117 -10.519 4.275 619 HB2 ARG 76 2HB ARG 76 -3.918 -12.204 4.081 620 HB3 ARG 76 3HB ARG 76 -3.727 -11.647 5.739 621 HG2 ARG 76 2HG ARG 76 -5.712 -10.179 5.466 622 HG3 ARG 76 3HG ARG 76 -5.922 -10.782 3.819 623 HD2 ARG 76 2HD ARG 76 -6.261 -13.066 4.715 624 HD3 ARG 76 3HD ARG 76 -6.068 -12.441 6.359 625 HE ARG 76 HE ARG 76 -8.050 -10.938 5.141 626 HH11 ARG 76 1HH1 ARG 76 -7.639 -14.240 6.232 627 HH12 ARG 76 2HH1 ARG 76 -9.340 -14.516 6.413 628 HH21 ARG 76 1HH2 ARG 76 -10.276 -11.303 5.408 629 HH22 ARG 76 2HH2 ARG 76 -10.833 -12.846 5.965 630 HA PRO 77 HA PRO 77 -3.370 -9.015 0.158 631 HB2 PRO 77 2HB PRO 77 -2.133 -10.848 -1.408 632 HB3 PRO 77 3HB PRO 77 -1.213 -9.666 -0.468 633 HG2 PRO 77 2HG PRO 77 -1.818 -12.545 0.206 634 HG3 PRO 77 3HG PRO 77 -0.266 -11.685 0.299 635 HD2 PRO 77 2HD PRO 77 -1.868 -12.077 2.479 636 HD3 PRO 77 3HD PRO 77 -0.808 -10.658 2.316 637 H GLY 78 H GLY 78 -5.497 -10.220 1.430 638 HA2 GLY 78 2HA GLY 78 -7.201 -11.039 -0.584 639 HA3 GLY 78 3HA GLY 78 -6.580 -12.514 0.152 640 H GLN 79 H GLN 79 -7.884 -9.353 1.150 641 HA GLN 79 HA GLN 79 -9.792 -10.720 2.976 642 HB2 GLN 79 2HB GLN 79 -9.758 -8.529 4.314 643 HB3 GLN 79 3HB GLN 79 -8.355 -9.575 4.468 644 HG2 GLN 79 2HG GLN 79 -6.974 -8.130 3.245 645 HG3 GLN 79 3HG GLN 79 -8.329 -7.296 2.495 646 HE21 GLN 79 1HE2 GLN 79 -8.220 -7.925 5.985 647 HE22 GLN 79 2HE2 GLN 79 -8.003 -6.274 6.425 648 H ASP 80 H ASP 80 -11.786 -10.558 2.171 649 HA ASP 80 HA ASP 80 -13.625 -9.950 1.012 650 HB2 ASP 80 2HB ASP 80 -12.595 -7.101 1.386 651 HB3 ASP 80 3HB ASP 80 -14.226 -7.526 0.884 652 H GLY 81 H GLY 81 -10.915 -10.311 -0.336 653 HA2 GLY 81 2HA GLY 81 -10.574 -10.845 -2.589 654 HA3 GLY 81 3HA GLY 81 -11.825 -9.701 -3.061 655 H VAL 82 H VAL 82 -10.055 -8.054 -0.843 656 HA VAL 82 HA VAL 82 -8.272 -6.881 -2.906 657 HB VAL 82 HB VAL 82 -10.346 -5.514 -2.350 658 HG11 VAL 82 1HG1 VAL 82 -10.513 -5.898 0.045 659 HG12 VAL 82 2HG1 VAL 82 -10.386 -4.172 -0.292 660 HG13 VAL 82 3HG1 VAL 82 -8.984 -5.055 0.318 661 HG21 VAL 82 3HG2 VAL 82 -9.180 -3.339 -2.313 662 HG22 VAL 82 1HG2 VAL 82 -8.404 -4.471 -3.425 663 HG23 VAL 82 2HG2 VAL 82 -7.680 -4.145 -1.848 664 H ILE 83 H ILE 83 -6.479 -5.608 -1.996 665 HA ILE 83 HA ILE 83 -5.213 -6.918 0.337 666 HB ILE 83 HB ILE 83 -3.941 -5.454 -2.035 667 HG12 ILE 83 2HG1 ILE 83 -4.289 -8.463 -1.634 668 HG13 ILE 83 3HG1 ILE 83 -5.202 -7.485 -2.769 669 HG21 ILE 83 1HG2 ILE 83 -2.483 -5.518 -0.060 670 HG22 ILE 83 2HG2 ILE 83 -1.841 -6.548 -1.339 671 HG23 ILE 83 3HG2 ILE 83 -2.668 -7.271 0.043 672 HD11 ILE 83 3HD1 ILE 83 -3.519 -8.734 -3.901 673 HD12 ILE 83 1HD1 ILE 83 -2.259 -8.064 -2.867 674 HD13 ILE 83 2HD1 ILE 83 -3.129 -7.016 -3.990 675 H ASN 84 H ASN 84 -4.235 -5.541 1.949 676 HA ASN 84 HA ASN 84 -4.428 -2.607 1.546 677 HB2 ASN 84 2HB ASN 84 -5.240 -4.141 4.044 678 HB3 ASN 84 3HB ASN 84 -4.831 -2.430 4.095 679 HD21 ASN 84 1HD2 ASN 84 -6.823 -1.679 4.660 680 HD22 ASN 84 2HD2 ASN 84 -8.232 -1.795 3.670 681 H GLY 85 H GLY 85 -2.940 -1.331 2.786 682 HA2 GLY 85 2HA GLY 85 -0.685 -2.508 4.121 683 HA3 GLY 85 3HA GLY 85 -0.295 -2.057 2.465 684 H VAL 86 H VAL 86 1.315 -0.659 3.789 685 HA VAL 86 HA VAL 86 0.095 1.984 4.342 686 HB VAL 86 HB VAL 86 1.794 2.494 6.038 687 HG11 VAL 86 1HG1 VAL 86 1.009 1.047 7.864 688 HG12 VAL 86 2HG1 VAL 86 0.336 -0.086 6.688 689 HG13 VAL 86 3HG1 VAL 86 -0.322 1.548 6.819 690 HG21 VAL 86 3HG2 VAL 86 3.316 0.742 6.942 691 HG22 VAL 86 1HG2 VAL 86 3.666 1.113 5.251 692 HG23 VAL 86 2HG2 VAL 86 2.788 -0.358 5.669 693 H LEU 87 H LEU 87 1.264 3.825 3.686 694 HA LEU 87 HA LEU 87 2.907 3.349 1.336 695 HB2 LEU 87 2HB LEU 87 1.002 5.025 1.501 696 HB3 LEU 87 3HB LEU 87 2.024 6.006 2.537 697 HG LEU 87 HG LEU 87 3.617 6.353 0.686 698 HD11 LEU 87 1HD1 LEU 87 3.450 4.222 -0.478 699 HD12 LEU 87 2HD1 LEU 87 3.135 5.538 -1.605 700 HD13 LEU 87 3HD1 LEU 87 1.794 4.581 -0.969 701 HD21 LEU 87 3HD2 LEU 87 2.198 7.707 -0.810 702 HD22 LEU 87 1HD2 LEU 87 1.741 7.924 0.880 703 HD23 LEU 87 2HD2 LEU 87 0.755 6.910 -0.175 704 H ILE 88 H ILE 88 5.026 2.891 1.770 705 HA ILE 88 HA ILE 88 6.531 4.404 3.804 706 HB ILE 88 HB ILE 88 8.367 2.784 3.439 707 HG12 ILE 88 2HG1 ILE 88 6.510 1.357 1.473 708 HG13 ILE 88 3HG1 ILE 88 7.879 2.351 0.986 709 HG21 ILE 88 1HG2 ILE 88 7.236 0.778 4.374 710 HG22 ILE 88 2HG2 ILE 88 5.672 1.450 3.916 711 HG23 ILE 88 3HG2 ILE 88 6.656 2.266 5.133 712 HD11 ILE 88 3HD1 ILE 88 8.378 -0.019 0.893 713 HD12 ILE 88 1HD1 ILE 88 8.040 -0.177 2.616 714 HD13 ILE 88 2HD1 ILE 88 9.399 0.805 2.068 715 H ARG 89 H ARG 89 8.970 4.692 2.998 716 HA ARG 89 HA ARG 89 8.810 6.550 0.666 717 HB2 ARG 89 2HB ARG 89 10.499 7.057 3.154 718 HB3 ARG 89 3HB ARG 89 10.046 8.201 1.903 719 HG2 ARG 89 2HG ARG 89 8.224 7.036 4.024 720 HG3 ARG 89 3HG ARG 89 8.881 8.670 3.988 721 HD2 ARG 89 2HD ARG 89 7.566 9.144 1.952 722 HD3 ARG 89 3HD ARG 89 6.908 7.502 1.991 723 HE ARG 89 HE ARG 89 6.531 9.183 4.363 724 HH11 ARG 89 1HH1 ARG 89 5.049 7.820 1.481 725 HH12 ARG 89 2HH1 ARG 89 3.431 8.073 2.060 726 HH21 ARG 89 1HH2 ARG 89 4.419 9.505 5.071 727 HH22 ARG 89 2HH2 ARG 89 3.077 9.036 4.079 728 H GLU 90 H GLU 90 9.796 3.772 0.728 729 HA GLU 90 HA GLU 90 12.514 3.445 1.282 730 HB2 GLU 90 2HB GLU 90 10.485 1.752 0.610 731 HB3 GLU 90 3HB GLU 90 11.306 1.792 -0.936 732 HG2 GLU 90 2HG GLU 90 12.514 0.922 1.708 733 HG3 GLU 90 3HG GLU 90 11.976 -0.139 0.414 734 H LEU 91 H LEU 91 11.143 3.544 -2.000 735 HA LEU 91 HA LEU 91 13.162 5.511 -2.843 736 HB2 LEU 91 2HB LEU 91 12.916 4.593 -5.196 737 HB3 LEU 91 3HB LEU 91 13.825 3.600 -4.082 738 HG LEU 91 HG LEU 91 10.900 2.954 -4.615 739 HD11 LEU 91 1HD1 LEU 91 11.945 3.104 -6.841 740 HD12 LEU 91 2HD1 LEU 91 11.509 1.447 -6.433 741 HD13 LEU 91 3HD1 LEU 91 13.197 1.965 -6.335 742 HD21 LEU 91 3HD2 LEU 91 13.267 1.188 -3.874 743 HD22 LEU 91 1HD2 LEU 91 11.589 0.657 -4.070 744 HD23 LEU 91 2HD2 LEU 91 12.018 1.765 -2.769 745 H GLU 92 H GLU 92 12.080 7.373 -2.923 746 HA GLU 92 HA GLU 92 9.285 7.661 -3.080 747 HB2 GLU 92 2HB GLU 92 10.710 9.357 -2.036 748 HB3 GLU 92 3HB GLU 92 11.507 9.696 -3.567 749 HG2 GLU 92 2HG GLU 92 9.872 11.445 -2.931 750 HG3 GLU 92 3HG GLU 92 9.471 10.679 -4.469 751 H HIS 93 H HIS 93 7.879 7.918 -4.776 752 HA HIS 93 HA HIS 93 8.663 7.065 -7.365 753 HB2 HIS 93 2HB HIS 93 6.362 7.377 -8.059 754 HB3 HIS 93 3HB HIS 93 6.395 6.668 -6.453 755 HD1 HIS 93 HD1 HIS 93 5.215 7.954 -4.589 756 HD2 HIS 93 HD2 HIS 93 5.380 10.089 -8.145 757 HE1 HIS 93 HE1 HIS 93 3.684 9.909 -4.280 758 HE2 HIS 93 HE2 HIS 93 3.963 11.280 -6.358 759 H HIS 94 H HIS 94 8.133 10.230 -5.966 760 HA HIS 94 HA HIS 94 8.718 11.681 -8.412 761 HB2 HIS 94 2HB HIS 94 7.282 12.589 -6.518 762 HB3 HIS 94 3HB HIS 94 8.729 12.676 -5.520 763 HD1 HIS 94 HD1 HIS 94 6.962 14.396 -8.304 764 HD2 HIS 94 HD2 HIS 94 10.542 14.782 -6.241 765 HE1 HIS 94 HE1 HIS 94 7.843 16.651 -8.923 766 HE2 HIS 94 HE2 HIS 94 10.113 16.754 -7.848 767 H HIS 95 H HIS 95 10.651 10.543 -8.970 768 HA HIS 95 HA HIS 95 13.011 10.801 -7.191 769 HB2 HIS 95 2HB HIS 95 12.226 8.462 -7.755 770 HB3 HIS 95 3HB HIS 95 12.521 8.807 -9.458 771 HD1 HIS 95 HD1 HIS 95 14.907 8.493 -10.283 772 HD2 HIS 95 HD2 HIS 95 14.630 8.383 -6.147 773 HE1 HIS 95 HE1 HIS 95 17.159 7.740 -9.479 774 HE2 HIS 95 HE2 HIS 95 17.016 7.891 -6.974 775 H HIS 96 H HIS 96 13.015 13.048 -8.083 776 HA HIS 96 HA HIS 96 15.194 13.342 -9.861 777 HB2 HIS 96 2HB HIS 96 13.280 12.984 -11.541 778 HB3 HIS 96 3HB HIS 96 12.580 14.491 -10.967 779 HD1 HIS 96 HD1 HIS 96 14.954 13.136 -13.381 780 HD2 HIS 96 HD2 HIS 96 14.336 16.817 -11.540 781 HE1 HIS 96 HE1 HIS 96 16.186 14.812 -14.783 782 HE2 HIS 96 HE2 HIS 96 15.791 17.031 -13.655 783 H HIS 97 H HIS 97 15.932 14.426 -8.004 784 HA HIS 97 HA HIS 97 14.612 16.759 -6.924 785 HB2 HIS 97 2HB HIS 97 16.142 15.278 -5.570 786 HB3 HIS 97 3HB HIS 97 17.501 15.821 -6.539 787 HD1 HIS 97 HD1 HIS 97 15.767 16.559 -3.455 788 HD2 HIS 97 HD2 HIS 97 17.909 18.793 -6.224 789 HE1 HIS 97 HE1 HIS 97 16.408 18.672 -2.274 790 HE2 HIS 97 HE2 HIS 97 17.531 20.074 -4.027 791 H HIS 98 H HIS 98 14.317 18.220 -8.601 792 HA HIS 98 HA HIS 98 16.420 18.943 -10.438 793 HB2 HIS 98 2HB HIS 98 14.733 20.695 -11.241 794 HB3 HIS 98 3HB HIS 98 14.265 19.011 -11.405 795 HD1 HIS 98 HD1 HIS 98 12.202 18.226 -10.125 796 HD2 HIS 98 HD2 HIS 98 13.158 22.188 -9.343 797 HE1 HIS 98 HE1 HIS 98 10.210 19.177 -8.933 798 HE2 HIS 98 HE2 HIS 98 10.740 21.620 -8.656 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -3.888 -27.318 -21.298 2 H2 GLY 1 2H GLY 1 -2.256 -27.296 -21.728 3 H3 GLY 1 3H GLY 1 -3.326 -26.184 -22.411 4 HA2 GLY 1 2HA GLY 1 -2.533 -26.336 -19.567 5 HA3 GLY 1 3HA GLY 1 -1.977 -25.134 -20.723 6 H ASP 2 H ASP 2 -4.975 -26.491 -19.331 7 HA ASP 2 HA ASP 2 -6.690 -24.325 -19.917 8 HB2 ASP 2 2HB ASP 2 -7.572 -26.560 -19.343 9 HB3 ASP 2 3HB ASP 2 -6.894 -26.449 -17.724 10 H ARG 3 H ARG 3 -6.969 -22.428 -18.938 11 HA ARG 3 HA ARG 3 -6.025 -21.962 -16.174 12 HB2 ARG 3 2HB ARG 3 -5.695 -20.055 -18.540 13 HB3 ARG 3 3HB ARG 3 -5.363 -19.634 -16.861 14 HG2 ARG 3 2HG ARG 3 -3.622 -21.414 -16.793 15 HG3 ARG 3 3HG ARG 3 -3.917 -21.739 -18.496 16 HD2 ARG 3 2HD ARG 3 -3.121 -19.521 -19.101 17 HD3 ARG 3 3HD ARG 3 -2.950 -19.084 -17.393 18 HE ARG 3 HE ARG 3 -1.480 -21.425 -17.880 19 HH11 ARG 3 1HH1 ARG 3 -1.279 -18.018 -18.745 20 HH12 ARG 3 2HH1 ARG 3 0.452 -18.035 -18.788 21 HH21 ARG 3 1HH2 ARG 3 0.763 -21.395 -17.950 22 HH22 ARG 3 2HH2 ARG 3 1.599 -19.937 -18.365 23 H ARG 4 H ARG 4 -7.367 -20.602 -14.956 24 HA ARG 4 HA ARG 4 -10.127 -20.480 -15.732 25 HB2 ARG 4 2HB ARG 4 -8.691 -19.288 -13.330 26 HB3 ARG 4 3HB ARG 4 -10.435 -19.278 -13.541 27 HG2 ARG 4 2HG ARG 4 -8.749 -21.779 -13.325 28 HG3 ARG 4 3HG ARG 4 -9.594 -21.030 -11.979 29 HD2 ARG 4 2HD ARG 4 -11.143 -22.633 -12.538 30 HD3 ARG 4 3HD ARG 4 -11.706 -21.328 -13.577 31 HE ARG 4 HE ARG 4 -10.005 -22.705 -15.192 32 HH11 ARG 4 1HH1 ARG 4 -12.743 -23.724 -13.208 33 HH12 ARG 4 2HH1 ARG 4 -13.153 -25.058 -14.237 34 HH21 ARG 4 1HH2 ARG 4 -10.579 -24.498 -16.523 35 HH22 ARG 4 2HH2 ARG 4 -11.924 -25.503 -16.084 36 H VAL 5 H VAL 5 -9.855 -19.254 -17.709 37 HA VAL 5 HA VAL 5 -9.174 -16.468 -17.710 38 HB VAL 5 HB VAL 5 -10.852 -18.041 -19.730 39 HG11 VAL 5 1HG1 VAL 5 -11.147 -15.613 -19.981 40 HG12 VAL 5 2HG1 VAL 5 -10.242 -16.266 -21.344 41 HG13 VAL 5 3HG1 VAL 5 -9.397 -15.384 -20.071 42 HG21 VAL 5 3HG2 VAL 5 -8.769 -18.299 -21.051 43 HG22 VAL 5 1HG2 VAL 5 -8.643 -19.078 -19.472 44 HG23 VAL 5 2HG2 VAL 5 -7.848 -17.529 -19.755 45 H ARG 6 H ARG 6 -10.449 -14.865 -16.963 46 HA ARG 6 HA ARG 6 -12.662 -15.407 -15.355 47 HB2 ARG 6 2HB ARG 6 -11.007 -13.433 -15.207 48 HB3 ARG 6 3HB ARG 6 -11.960 -12.659 -16.465 49 HG2 ARG 6 2HG ARG 6 -12.637 -11.774 -14.330 50 HG3 ARG 6 3HG ARG 6 -13.965 -12.761 -14.958 51 HD2 ARG 6 2HD ARG 6 -13.546 -13.104 -12.520 52 HD3 ARG 6 3HD ARG 6 -13.366 -14.590 -13.458 53 HE ARG 6 HE ARG 6 -10.926 -13.075 -12.961 54 HH11 ARG 6 1HH1 ARG 6 -12.939 -15.767 -11.859 55 HH12 ARG 6 2HH1 ARG 6 -11.621 -16.543 -11.036 56 HH21 ARG 6 1HH2 ARG 6 -9.248 -14.132 -11.887 57 HH22 ARG 6 2HH2 ARG 6 -9.540 -15.623 -11.055 58 H LEU 7 H LEU 7 -14.665 -15.932 -16.000 59 HA LEU 7 HA LEU 7 -15.797 -15.186 -18.537 60 HB2 LEU 7 2HB LEU 7 -17.060 -16.492 -16.091 61 HB3 LEU 7 3HB LEU 7 -17.955 -16.143 -17.554 62 HG LEU 7 HG LEU 7 -17.417 -18.482 -17.574 63 HD11 LEU 7 1HD1 LEU 7 -15.568 -17.090 -19.528 64 HD12 LEU 7 2HD1 LEU 7 -17.293 -17.380 -19.754 65 HD13 LEU 7 3HD1 LEU 7 -16.181 -18.743 -19.662 66 HD21 LEU 7 3HD2 LEU 7 -14.499 -17.750 -17.163 67 HD22 LEU 7 1HD2 LEU 7 -15.124 -19.376 -17.460 68 HD23 LEU 7 2HD2 LEU 7 -15.562 -18.521 -15.986 69 H ILE 8 H ILE 8 -15.484 -12.879 -18.382 70 HA ILE 8 HA ILE 8 -17.027 -11.331 -16.470 71 HB ILE 8 HB ILE 8 -15.626 -10.355 -19.009 72 HG12 ILE 8 2HG1 ILE 8 -14.532 -10.426 -16.149 73 HG13 ILE 8 3HG1 ILE 8 -14.017 -11.482 -17.460 74 HG21 ILE 8 1HG2 ILE 8 -15.678 -8.122 -17.927 75 HG22 ILE 8 2HG2 ILE 8 -16.548 -8.798 -16.550 76 HG23 ILE 8 3HG2 ILE 8 -17.308 -8.761 -18.141 77 HD11 ILE 8 3HD1 ILE 8 -13.159 -9.528 -18.675 78 HD12 ILE 8 1HD1 ILE 8 -12.406 -9.721 -17.090 79 HD13 ILE 8 2HD1 ILE 8 -13.650 -8.494 -17.331 80 H ARG 9 H ARG 9 -19.029 -12.385 -16.892 81 HA ARG 9 HA ARG 9 -20.325 -12.299 -19.445 82 HB2 ARG 9 2HB ARG 9 -20.817 -14.045 -17.750 83 HB3 ARG 9 3HB ARG 9 -21.495 -12.825 -16.675 84 HG2 ARG 9 2HG ARG 9 -23.305 -12.378 -18.265 85 HG3 ARG 9 3HG ARG 9 -22.594 -13.497 -19.433 86 HD2 ARG 9 2HD ARG 9 -23.674 -14.253 -16.693 87 HD3 ARG 9 3HD ARG 9 -24.495 -14.509 -18.236 88 HE ARG 9 HE ARG 9 -21.906 -15.709 -18.247 89 HH11 ARG 9 1HH1 ARG 9 -25.182 -16.250 -17.103 90 HH12 ARG 9 2HH1 ARG 9 -24.984 -17.972 -17.030 91 HH21 ARG 9 1HH2 ARG 9 -21.674 -17.963 -18.158 92 HH22 ARG 9 2HH2 ARG 9 -23.003 -18.939 -17.615 93 H THR 10 H THR 10 -21.157 -10.523 -20.310 94 HA THR 10 HA THR 10 -21.361 -8.058 -18.783 95 HB THR 10 HB THR 10 -21.766 -7.069 -21.110 96 HG1 THR 10 HG1 THR 10 -20.805 -9.139 -22.533 97 HG21 THR 10 3HG2 THR 10 -19.497 -7.120 -20.116 98 HG22 THR 10 1HG2 THR 10 -19.425 -7.372 -21.863 99 HG23 THR 10 2HG2 THR 10 -19.239 -8.742 -20.763 100 H ARG 11 H ARG 11 -23.188 -9.328 -17.630 101 HA ARG 11 HA ARG 11 -25.806 -8.456 -18.694 102 HB2 ARG 11 2HB ARG 11 -25.159 -10.815 -16.868 103 HB3 ARG 11 3HB ARG 11 -26.788 -10.223 -17.138 104 HG2 ARG 11 2HG ARG 11 -24.978 -11.366 -19.289 105 HG3 ARG 11 3HG ARG 11 -26.253 -12.250 -18.453 106 HD2 ARG 11 2HD ARG 11 -27.218 -11.607 -20.503 107 HD3 ARG 11 3HD ARG 11 -27.861 -10.458 -19.348 108 HE ARG 11 HE ARG 11 -25.524 -9.735 -20.983 109 HH11 ARG 11 1HH1 ARG 11 -28.877 -9.106 -20.121 110 HH12 ARG 11 2HH1 ARG 11 -28.976 -7.676 -21.100 111 HH21 ARG 11 1HH2 ARG 11 -25.670 -7.866 -22.230 112 HH22 ARG 11 2HH2 ARG 11 -27.142 -6.942 -22.266 113 H GLY 12 H GLY 12 -26.377 -6.662 -17.669 114 HA2 GLY 12 2HA GLY 12 -25.093 -5.762 -15.227 115 HA3 GLY 12 3HA GLY 12 -26.269 -4.887 -16.188 116 H GLY 13 H GLY 13 -25.968 -7.549 -13.858 117 HA2 GLY 13 2HA GLY 13 -28.649 -6.872 -12.741 118 HA3 GLY 13 3HA GLY 13 -28.170 -8.535 -13.052 119 H ASN 14 H ASN 14 -25.692 -6.424 -11.961 120 HA ASN 14 HA ASN 14 -26.051 -6.701 -9.142 121 HB2 ASN 14 2HB ASN 14 -25.353 -9.042 -9.650 122 HB3 ASN 14 3HB ASN 14 -23.890 -8.443 -10.419 123 HD21 ASN 14 1HD2 ASN 14 -22.192 -7.739 -9.127 124 HD22 ASN 14 2HD2 ASN 14 -22.140 -7.997 -7.419 125 H THR 15 H THR 15 -25.622 -4.539 -9.008 126 HA THR 15 HA THR 15 -23.422 -3.223 -10.321 127 HB THR 15 HB THR 15 -25.248 -2.235 -8.091 128 HG1 THR 15 HG1 THR 15 -26.223 -1.132 -10.017 129 HG21 THR 15 3HG2 THR 15 -24.635 0.052 -8.852 130 HG22 THR 15 1HG2 THR 15 -23.490 -0.647 -10.006 131 HG23 THR 15 2HG2 THR 15 -23.218 -0.825 -8.273 132 H LYS 16 H LYS 16 -24.075 -4.475 -7.105 133 HA LYS 16 HA LYS 16 -21.741 -3.390 -5.826 134 HB2 LYS 16 2HB LYS 16 -23.863 -3.846 -4.616 135 HB3 LYS 16 3HB LYS 16 -23.653 -5.569 -4.893 136 HG2 LYS 16 2HG LYS 16 -21.596 -5.540 -3.508 137 HG3 LYS 16 3HG LYS 16 -21.814 -3.806 -3.238 138 HD2 LYS 16 2HD LYS 16 -24.017 -4.295 -2.145 139 HD3 LYS 16 3HD LYS 16 -23.709 -6.022 -2.349 140 HE2 LYS 16 2HE LYS 16 -21.714 -5.831 -0.909 141 HE3 LYS 16 3HE LYS 16 -22.008 -4.103 -0.726 142 HZ1 LYS 16 3HZ LYS 16 -22.810 -5.346 1.171 143 HZ2 LYS 16 1HZ LYS 16 -23.830 -6.262 0.186 144 HZ3 LYS 16 2HZ LYS 16 -24.101 -4.607 0.371 145 H VAL 17 H VAL 17 -20.050 -4.098 -7.171 146 HA VAL 17 HA VAL 17 -19.312 -6.975 -7.000 147 HB VAL 17 HB VAL 17 -18.405 -5.018 -9.177 148 HG11 VAL 17 1HG1 VAL 17 -16.869 -6.900 -8.817 149 HG12 VAL 17 2HG1 VAL 17 -17.657 -7.030 -10.390 150 HG13 VAL 17 3HG1 VAL 17 -18.190 -8.047 -9.051 151 HG21 VAL 17 3HG2 VAL 17 -19.968 -6.132 -10.738 152 HG22 VAL 17 1HG2 VAL 17 -20.817 -5.309 -9.428 153 HG23 VAL 17 2HG2 VAL 17 -20.644 -7.064 -9.398 154 H ARG 18 H ARG 18 -17.284 -7.404 -6.118 155 HA ARG 18 HA ARG 18 -15.695 -5.391 -4.903 156 HB2 ARG 18 2HB ARG 18 -14.123 -7.078 -4.317 157 HB3 ARG 18 3HB ARG 18 -15.694 -7.847 -4.227 158 HG2 ARG 18 2HG ARG 18 -13.767 -8.175 -6.553 159 HG3 ARG 18 3HG ARG 18 -13.885 -9.288 -5.194 160 HD2 ARG 18 2HD ARG 18 -16.200 -9.826 -5.810 161 HD3 ARG 18 3HD ARG 18 -16.129 -8.678 -7.152 162 HE ARG 18 HE ARG 18 -14.574 -11.187 -6.935 163 HH11 ARG 18 1HH1 ARG 18 -15.942 -8.667 -8.948 164 HH12 ARG 18 2HH1 ARG 18 -15.535 -9.464 -10.432 165 HH21 ARG 18 1HH2 ARG 18 -14.032 -12.214 -8.897 166 HH22 ARG 18 2HH2 ARG 18 -14.462 -11.470 -10.405 167 H LEU 19 H LEU 19 -13.657 -4.595 -5.517 168 HA LEU 19 HA LEU 19 -13.479 -3.545 -8.057 169 HB2 LEU 19 2HB LEU 19 -11.001 -3.009 -7.308 170 HB3 LEU 19 3HB LEU 19 -12.368 -2.260 -6.519 171 HG LEU 19 HG LEU 19 -12.102 -4.230 -4.765 172 HD11 LEU 19 1HD1 LEU 19 -10.416 -5.540 -5.899 173 HD12 LEU 19 2HD1 LEU 19 -9.790 -4.954 -4.360 174 HD13 LEU 19 3HD1 LEU 19 -9.290 -4.183 -5.870 175 HD21 LEU 19 3HD2 LEU 19 -10.222 -1.856 -4.797 176 HD22 LEU 19 1HD2 LEU 19 -10.629 -2.826 -3.380 177 HD23 LEU 19 2HD2 LEU 19 -11.876 -1.882 -4.188 178 H ALA 20 H ALA 20 -13.608 -4.917 -9.691 179 HA ALA 20 HA ALA 20 -11.517 -6.960 -10.155 180 HB1 ALA 20 3HB ALA 20 -13.791 -7.852 -9.983 181 HB2 ALA 20 1HB ALA 20 -13.169 -8.058 -11.619 182 HB3 ALA 20 2HB ALA 20 -14.334 -6.774 -11.270 183 H SER 21 H SER 21 -12.751 -3.965 -11.260 184 HA SER 21 HA SER 21 -11.990 -3.883 -13.946 185 HB2 SER 21 2HB SER 21 -13.306 -2.095 -12.847 186 HB3 SER 21 3HB SER 21 -11.898 -1.637 -11.885 187 HG SER 21 HG SER 21 -12.330 -1.371 -14.671 188 H ASP 22 H ASP 22 -10.115 -3.020 -11.044 189 HA ASP 22 HA ASP 22 -7.754 -4.319 -12.164 190 HB2 ASP 22 2HB ASP 22 -7.461 -1.913 -12.791 191 HB3 ASP 22 3HB ASP 22 -7.708 -1.443 -11.110 192 H THR 23 H THR 23 -6.432 -5.214 -10.466 193 HA THR 23 HA THR 23 -7.616 -5.501 -7.888 194 HB THR 23 HB THR 23 -4.729 -6.110 -8.685 195 HG1 THR 23 HG1 THR 23 -7.040 -7.807 -8.560 196 HG21 THR 23 3HG2 THR 23 -5.020 -5.961 -6.221 197 HG22 THR 23 1HG2 THR 23 -4.740 -7.630 -6.720 198 HG23 THR 23 2HG2 THR 23 -6.370 -7.096 -6.300 199 H ARG 24 H ARG 24 -7.748 -3.908 -6.491 200 HA ARG 24 HA ARG 24 -5.779 -1.731 -6.445 201 HB2 ARG 24 2HB ARG 24 -8.508 -1.963 -5.111 202 HB3 ARG 24 3HB ARG 24 -7.479 -0.540 -5.097 203 HG2 ARG 24 2HG ARG 24 -8.782 -1.747 -7.566 204 HG3 ARG 24 3HG ARG 24 -9.336 -0.315 -6.692 205 HD2 ARG 24 2HD ARG 24 -6.983 0.658 -7.185 206 HD3 ARG 24 3HD ARG 24 -6.834 -0.653 -8.357 207 HE ARG 24 HE ARG 24 -8.686 0.263 -9.574 208 HH11 ARG 24 1HH1 ARG 24 -7.388 2.419 -7.112 209 HH12 ARG 24 2HH1 ARG 24 -8.053 3.847 -7.827 210 HH21 ARG 24 1HH2 ARG 24 -9.539 2.166 -10.519 211 HH22 ARG 24 2HH2 ARG 24 -9.280 3.705 -9.751 212 H ILE 25 H ILE 25 -5.204 -0.878 -4.376 213 HA ILE 25 HA ILE 25 -5.232 -2.705 -2.063 214 HB ILE 25 HB ILE 25 -3.029 -3.064 -3.060 215 HG12 ILE 25 2HG1 ILE 25 -2.719 -1.221 -0.637 216 HG13 ILE 25 3HG1 ILE 25 -3.158 -2.919 -0.550 217 HG21 ILE 25 1HG2 ILE 25 -1.383 -1.259 -3.444 218 HG22 ILE 25 2HG2 ILE 25 -2.587 -0.057 -2.979 219 HG23 ILE 25 3HG2 ILE 25 -2.830 -1.029 -4.430 220 HD11 ILE 25 3HD1 ILE 25 -0.840 -2.611 0.011 221 HD12 ILE 25 1HD1 ILE 25 -0.532 -1.807 -1.528 222 HD13 ILE 25 2HD1 ILE 25 -0.972 -3.517 -1.496 223 H ASN 26 H ASN 26 -5.630 -1.626 -0.177 224 HA ASN 26 HA ASN 26 -6.243 1.240 -0.359 225 HB2 ASN 26 2HB ASN 26 -6.818 -0.798 1.845 226 HB3 ASN 26 3HB ASN 26 -7.314 0.894 1.874 227 HD21 ASN 26 1HD2 ASN 26 -9.034 -1.434 2.006 228 HD22 ASN 26 2HD2 ASN 26 -10.087 -1.357 0.639 229 H VAL 27 H VAL 27 -4.445 2.361 -0.177 230 HA VAL 27 HA VAL 27 -2.148 1.488 1.381 231 HB VAL 27 HB VAL 27 -2.520 3.888 -0.491 232 HG11 VAL 27 1HG1 VAL 27 0.044 2.805 0.743 233 HG12 VAL 27 2HG1 VAL 27 -0.741 4.336 1.136 234 HG13 VAL 27 3HG1 VAL 27 -0.051 4.088 -0.465 235 HG21 VAL 27 3HG2 VAL 27 -2.702 1.744 -1.678 236 HG22 VAL 27 1HG2 VAL 27 -1.158 1.213 -1.000 237 HG23 VAL 27 2HG2 VAL 27 -1.210 2.571 -2.127 238 H VAL 28 H VAL 28 -1.971 2.090 3.420 239 HA VAL 28 HA VAL 28 -3.478 4.361 4.501 240 HB VAL 28 HB VAL 28 -1.943 2.155 5.967 241 HG11 VAL 28 1HG1 VAL 28 -3.860 4.247 7.062 242 HG12 VAL 28 2HG1 VAL 28 -2.120 4.168 7.335 243 HG13 VAL 28 3HG1 VAL 28 -3.169 2.910 7.989 244 HG21 VAL 28 3HG2 VAL 28 -4.939 2.389 5.466 245 HG22 VAL 28 1HG2 VAL 28 -4.157 1.167 6.476 246 HG23 VAL 28 2HG2 VAL 28 -3.847 1.205 4.741 247 H ASP 29 H ASP 29 -2.249 6.119 3.930 248 HA ASP 29 HA ASP 29 0.513 6.505 4.270 249 HB2 ASP 29 2HB ASP 29 -0.949 8.116 3.070 250 HB3 ASP 29 3HB ASP 29 -1.771 8.496 4.575 251 HA PRO 30 HA PRO 30 0.138 6.080 8.804 252 HB2 PRO 30 2HB PRO 30 2.695 5.481 9.392 253 HB3 PRO 30 3HB PRO 30 1.682 4.343 8.494 254 HG2 PRO 30 2HG PRO 30 3.751 6.255 7.452 255 HG3 PRO 30 3HG PRO 30 3.477 4.563 6.993 256 HD2 PRO 30 2HD PRO 30 2.537 6.762 5.563 257 HD3 PRO 30 3HD PRO 30 1.822 5.136 5.483 258 H GLU 31 H GLU 31 1.592 8.637 7.092 259 HA GLU 31 HA GLU 31 2.997 9.950 9.266 260 HB2 GLU 31 2HB GLU 31 2.017 11.366 6.748 261 HB3 GLU 31 3HB GLU 31 3.457 11.694 7.691 262 HG2 GLU 31 2HG GLU 31 3.037 9.332 5.847 263 HG3 GLU 31 3HG GLU 31 4.000 10.763 5.491 264 H THR 32 H THR 32 0.155 10.841 7.338 265 HA THR 32 HA THR 32 -1.032 12.412 9.475 266 HB THR 32 HB THR 32 -2.681 13.046 7.674 267 HG1 THR 32 HG1 THR 32 -1.004 11.625 5.886 268 HG21 THR 32 3HG2 THR 32 0.223 13.382 6.862 269 HG22 THR 32 1HG2 THR 32 -0.635 14.408 8.016 270 HG23 THR 32 2HG2 THR 32 -1.129 14.380 6.323 271 H GLY 33 H GLY 33 -1.639 9.365 7.775 272 HA2 GLY 33 2HA GLY 33 -2.864 7.586 8.877 273 HA3 GLY 33 3HA GLY 33 -3.886 8.796 9.637 274 H LYS 34 H LYS 34 -3.264 9.473 6.353 275 HA LYS 34 HA LYS 34 -5.911 9.108 5.439 276 HB2 LYS 34 2HB LYS 34 -3.365 9.246 3.769 277 HB3 LYS 34 3HB LYS 34 -5.000 9.377 3.122 278 HG2 LYS 34 2HG LYS 34 -5.339 11.446 4.445 279 HG3 LYS 34 3HG LYS 34 -3.682 11.319 5.046 280 HD2 LYS 34 2HD LYS 34 -2.841 11.486 2.691 281 HD3 LYS 34 3HD LYS 34 -4.508 11.667 2.133 282 HE2 LYS 34 2HE LYS 34 -3.440 13.848 2.247 283 HE3 LYS 34 3HE LYS 34 -4.705 13.756 3.477 284 HZ1 LYS 34 3HZ LYS 34 -1.786 13.457 3.900 285 HZ2 LYS 34 1HZ LYS 34 -2.953 13.215 5.097 286 HZ3 LYS 34 2HZ LYS 34 -2.758 14.741 4.401 287 H VAL 35 H VAL 35 -6.932 7.502 4.227 288 HA VAL 35 HA VAL 35 -5.363 5.136 3.361 289 HB VAL 35 HB VAL 35 -8.315 5.064 4.196 290 HG11 VAL 35 1HG1 VAL 35 -8.080 2.604 3.998 291 HG12 VAL 35 2HG1 VAL 35 -6.410 2.797 3.457 292 HG13 VAL 35 3HG1 VAL 35 -7.735 3.408 2.466 293 HG21 VAL 35 3HG2 VAL 35 -7.603 3.750 6.178 294 HG22 VAL 35 1HG2 VAL 35 -6.931 5.380 6.203 295 HG23 VAL 35 2HG2 VAL 35 -5.908 4.016 5.753 296 H GLU 36 H GLU 36 -5.344 5.019 1.198 297 HA GLU 36 HA GLU 36 -7.533 6.189 -0.404 298 HB2 GLU 36 2HB GLU 36 -4.608 6.867 -0.465 299 HB3 GLU 36 3HB GLU 36 -5.394 6.733 -2.028 300 HG2 GLU 36 2HG GLU 36 -6.299 8.571 0.208 301 HG3 GLU 36 3HG GLU 36 -5.322 9.045 -1.182 302 H ILE 37 H ILE 37 -8.082 5.086 -2.184 303 HA ILE 37 HA ILE 37 -7.145 2.353 -2.501 304 HB ILE 37 HB ILE 37 -9.233 3.960 -4.066 305 HG12 ILE 37 2HG1 ILE 37 -9.537 1.822 -1.897 306 HG13 ILE 37 3HG1 ILE 37 -9.922 3.532 -1.742 307 HG21 ILE 37 1HG2 ILE 37 -8.620 0.978 -4.269 308 HG22 ILE 37 2HG2 ILE 37 -8.282 2.192 -5.505 309 HG23 ILE 37 3HG2 ILE 37 -9.949 1.816 -5.077 310 HD11 ILE 37 3HD1 ILE 37 -11.338 1.519 -3.475 311 HD12 ILE 37 1HD1 ILE 37 -11.718 3.242 -3.406 312 HD13 ILE 37 2HD1 ILE 37 -11.928 2.231 -1.976 313 H ALA 38 H ALA 38 -5.518 1.773 -3.809 314 HA ALA 38 HA ALA 38 -4.479 3.658 -5.855 315 HB1 ALA 38 3HB ALA 38 -3.056 3.554 -3.832 316 HB2 ALA 38 1HB ALA 38 -2.221 2.909 -5.247 317 HB3 ALA 38 2HB ALA 38 -2.889 1.811 -4.036 318 H GLU 39 H GLU 39 -3.409 2.739 -7.624 319 HA GLU 39 HA GLU 39 -4.235 0.000 -8.381 320 HB2 GLU 39 2HB GLU 39 -3.134 2.249 -10.142 321 HB3 GLU 39 3HB GLU 39 -3.708 0.682 -10.705 322 HG2 GLU 39 2HG GLU 39 -5.971 1.239 -9.800 323 HG3 GLU 39 3HG GLU 39 -5.376 2.848 -9.408 324 H ILE 40 H ILE 40 -2.725 -1.569 -8.446 325 HA ILE 40 HA ILE 40 -0.076 -1.056 -7.423 326 HB ILE 40 HB ILE 40 -1.325 -3.655 -8.427 327 HG12 ILE 40 2HG1 ILE 40 -1.144 -2.667 -5.540 328 HG13 ILE 40 3HG1 ILE 40 -2.586 -2.510 -6.534 329 HG21 ILE 40 1HG2 ILE 40 1.131 -3.819 -8.299 330 HG22 ILE 40 2HG2 ILE 40 0.366 -4.822 -7.068 331 HG23 ILE 40 3HG2 ILE 40 1.093 -3.274 -6.620 332 HD11 ILE 40 3HD1 ILE 40 -1.292 -5.087 -5.676 333 HD12 ILE 40 1HD1 ILE 40 -2.728 -4.952 -6.696 334 HD13 ILE 40 2HD1 ILE 40 -2.769 -4.377 -5.028 335 H ARG 41 H ARG 41 1.466 -0.235 -8.784 336 HA ARG 41 HA ARG 41 1.655 -0.610 -11.596 337 HB2 ARG 41 2HB ARG 41 3.640 0.357 -9.498 338 HB3 ARG 41 3HB ARG 41 4.113 0.211 -11.185 339 HG2 ARG 41 2HG ARG 41 1.918 2.014 -10.114 340 HG3 ARG 41 3HG ARG 41 3.539 2.518 -10.601 341 HD2 ARG 41 2HD ARG 41 1.347 1.401 -12.374 342 HD3 ARG 41 3HD ARG 41 2.045 3.023 -12.412 343 HE ARG 41 HE ARG 41 4.194 1.827 -13.046 344 HH11 ARG 41 1HH1 ARG 41 1.031 0.654 -14.029 345 HH12 ARG 41 2HH1 ARG 41 1.650 -0.245 -15.376 346 HH21 ARG 41 1HH2 ARG 41 4.989 0.646 -14.802 347 HH22 ARG 41 2HH2 ARG 41 3.903 -0.248 -15.814 348 H ASN 42 H ASN 42 3.128 -2.190 -8.824 349 HA ASN 42 HA ASN 42 4.343 -4.284 -10.491 350 HB2 ASN 42 2HB ASN 42 6.092 -2.561 -10.204 351 HB3 ASN 42 3HB ASN 42 5.827 -2.552 -8.464 352 HD21 ASN 42 1HD2 ASN 42 7.827 -3.201 -7.835 353 HD22 ASN 42 2HD2 ASN 42 8.499 -4.747 -8.203 354 H VAL 43 H VAL 43 3.965 -6.203 -9.601 355 HA VAL 43 HA VAL 43 2.733 -6.431 -6.949 356 HB VAL 43 HB VAL 43 2.307 -8.830 -7.621 357 HG11 VAL 43 1HG1 VAL 43 1.289 -6.737 -9.581 358 HG12 VAL 43 2HG1 VAL 43 0.596 -7.122 -8.003 359 HG13 VAL 43 3HG1 VAL 43 0.558 -8.322 -9.296 360 HG21 VAL 43 3HG2 VAL 43 2.669 -9.520 -9.978 361 HG22 VAL 43 1HG2 VAL 43 4.198 -9.166 -9.170 362 HG23 VAL 43 2HG2 VAL 43 3.508 -8.000 -10.300 363 H VAL 44 H VAL 44 5.742 -7.374 -8.577 364 HA VAL 44 HA VAL 44 6.576 -9.175 -6.475 365 HB VAL 44 HB VAL 44 7.265 -9.651 -8.795 366 HG11 VAL 44 1HG1 VAL 44 8.980 -7.144 -8.673 367 HG12 VAL 44 2HG1 VAL 44 7.550 -7.381 -9.677 368 HG13 VAL 44 3HG1 VAL 44 8.995 -8.348 -9.968 369 HG21 VAL 44 3HG2 VAL 44 8.642 -10.528 -6.959 370 HG22 VAL 44 1HG2 VAL 44 9.649 -9.078 -6.997 371 HG23 VAL 44 2HG2 VAL 44 9.634 -10.183 -8.375 372 H GLU 45 H GLU 45 8.001 -8.781 -4.812 373 HA GLU 45 HA GLU 45 7.935 -6.220 -3.691 374 HB2 GLU 45 2HB GLU 45 9.349 -7.129 -1.876 375 HB3 GLU 45 3HB GLU 45 8.033 -8.217 -2.294 376 HG2 GLU 45 2HG GLU 45 9.602 -9.637 -3.573 377 HG3 GLU 45 3HG GLU 45 10.923 -8.549 -3.155 378 H ASN 46 H ASN 46 8.969 -4.501 -4.446 379 HA ASN 46 HA ASN 46 10.597 -2.974 -4.847 380 HB2 ASN 46 2HB ASN 46 12.508 -5.126 -3.840 381 HB3 ASN 46 3HB ASN 46 12.932 -3.434 -4.077 382 HD21 ASN 46 1HD2 ASN 46 12.210 -1.912 -2.551 383 HD22 ASN 46 2HD2 ASN 46 11.530 -2.371 -1.033 384 H THR 47 H THR 47 10.038 -5.352 -6.902 385 HA THR 47 HA THR 47 10.910 -6.567 -8.592 386 HB THR 47 HB THR 47 12.317 -5.350 -10.338 387 HG1 THR 47 HG1 THR 47 13.201 -3.844 -8.700 388 HG21 THR 47 3HG2 THR 47 10.553 -3.808 -11.077 389 HG22 THR 47 1HG2 THR 47 9.781 -3.915 -9.493 390 HG23 THR 47 2HG2 THR 47 9.871 -5.340 -10.535 391 H ALA 48 H ALA 48 12.332 -6.689 -6.080 392 HA ALA 48 HA ALA 48 15.134 -7.043 -6.500 393 HB1 ALA 48 3HB ALA 48 14.194 -6.540 -4.277 394 HB2 ALA 48 1HB ALA 48 15.107 -8.048 -4.244 395 HB3 ALA 48 2HB ALA 48 13.339 -8.083 -4.270 396 H ASN 49 H ASN 49 12.344 -9.264 -6.232 397 HA ASN 49 HA ASN 49 13.888 -11.639 -6.772 398 HB2 ASN 49 2HB ASN 49 10.860 -11.290 -6.844 399 HB3 ASN 49 3HB ASN 49 11.724 -12.817 -6.789 400 HD21 ASN 49 1HD2 ASN 49 9.709 -11.832 -4.969 401 HD22 ASN 49 2HD2 ASN 49 10.438 -11.761 -3.403 402 HA PRO 50 HA PRO 50 13.583 -10.765 -11.243 403 HB2 PRO 50 2HB PRO 50 15.758 -12.103 -12.039 404 HB3 PRO 50 3HB PRO 50 15.925 -10.706 -10.972 405 HG2 PRO 50 2HG PRO 50 16.070 -13.630 -10.287 406 HG3 PRO 50 3HG PRO 50 17.058 -12.288 -9.677 407 HD2 PRO 50 2HD PRO 50 14.800 -13.391 -8.381 408 HD3 PRO 50 3HD PRO 50 15.568 -11.838 -7.986 409 H HIS 51 H HIS 51 12.023 -13.041 -9.938 410 HA HIS 51 HA HIS 51 12.174 -15.226 -11.876 411 HB2 HIS 51 2HB HIS 51 10.464 -14.798 -9.396 412 HB3 HIS 51 3HB HIS 51 10.283 -16.188 -10.464 413 HD1 HIS 51 HD1 HIS 51 11.764 -18.143 -9.998 414 HD2 HIS 51 HD2 HIS 51 13.137 -14.677 -8.159 415 HE1 HIS 51 HE1 HIS 51 13.669 -18.862 -8.537 416 HE2 HIS 51 HE2 HIS 51 14.541 -16.742 -7.508 417 H PHE 52 H PHE 52 10.478 -15.801 -13.291 418 HA PHE 52 HA PHE 52 9.059 -13.525 -14.396 419 HB2 PHE 52 2HB PHE 52 8.446 -15.096 -16.260 420 HB3 PHE 52 3HB PHE 52 10.173 -14.955 -15.979 421 HD1 PHE 52 HD2 PHE 52 7.230 -17.204 -15.340 422 HD2 PHE 52 HD1 PHE 52 11.499 -16.910 -15.592 423 HE1 PHE 52 HE2 PHE 52 7.417 -19.651 -15.195 424 HE2 PHE 52 HE1 PHE 52 11.668 -19.358 -15.450 425 HZ PHE 52 HZ PHE 52 9.628 -20.729 -15.249 426 H VAL 53 H VAL 53 8.223 -15.630 -11.976 427 HA VAL 53 HA VAL 53 5.424 -16.094 -12.607 428 HB VAL 53 HB VAL 53 5.293 -16.971 -10.233 429 HG11 VAL 53 1HG1 VAL 53 6.701 -18.975 -10.637 430 HG12 VAL 53 2HG1 VAL 53 7.506 -18.130 -11.961 431 HG13 VAL 53 3HG1 VAL 53 5.784 -18.500 -12.069 432 HG21 VAL 53 3HG2 VAL 53 8.275 -16.332 -10.135 433 HG22 VAL 53 1HG2 VAL 53 7.388 -17.273 -8.930 434 HG23 VAL 53 2HG2 VAL 53 7.014 -15.568 -9.168 435 H ARG 54 H ARG 54 5.657 -13.475 -12.963 436 HA ARG 54 HA ARG 54 5.083 -11.952 -10.533 437 HB2 ARG 54 2HB ARG 54 5.484 -10.956 -13.391 438 HB3 ARG 54 3HB ARG 54 5.435 -9.966 -11.933 439 HG2 ARG 54 2HG ARG 54 7.482 -11.094 -11.117 440 HG3 ARG 54 3HG ARG 54 7.537 -12.044 -12.601 441 HD2 ARG 54 2HD ARG 54 7.698 -9.859 -13.871 442 HD3 ARG 54 3HD ARG 54 7.898 -9.042 -12.317 443 HE ARG 54 HE ARG 54 9.718 -11.219 -13.131 444 HH11 ARG 54 1HH1 ARG 54 9.297 -7.840 -12.216 445 HH12 ARG 54 2HH1 ARG 54 11.003 -7.546 -12.103 446 HH21 ARG 54 1HH2 ARG 54 11.930 -10.801 -13.000 447 HH22 ARG 54 2HH2 ARG 54 12.497 -9.228 -12.536 448 H ARG 55 H ARG 55 3.060 -13.678 -11.015 449 HA ARG 55 HA ARG 55 0.786 -12.307 -12.210 450 HB2 ARG 55 2HB ARG 55 0.942 -14.716 -10.325 451 HB3 ARG 55 3HB ARG 55 -0.566 -14.077 -10.969 452 HG2 ARG 55 2HG ARG 55 -0.059 -15.969 -12.303 453 HG3 ARG 55 3HG ARG 55 0.361 -14.582 -13.300 454 HD2 ARG 55 2HD ARG 55 2.735 -14.898 -12.773 455 HD3 ARG 55 3HD ARG 55 2.336 -16.243 -11.698 456 HE ARG 55 HE ARG 55 1.368 -17.286 -13.853 457 HH11 ARG 55 1HH1 ARG 55 4.159 -15.167 -13.865 458 HH12 ARG 55 2HH1 ARG 55 4.919 -15.958 -15.202 459 HH21 ARG 55 1HH2 ARG 55 2.399 -18.339 -15.622 460 HH22 ARG 55 2HH2 ARG 55 3.929 -17.751 -16.185 461 H ASN 56 H ASN 56 -1.183 -12.020 -10.483 462 HA ASN 56 HA ASN 56 -0.256 -10.160 -8.446 463 HB2 ASN 56 2HB ASN 56 -2.292 -9.688 -9.894 464 HB3 ASN 56 3HB ASN 56 -3.138 -10.987 -9.056 465 HD21 ASN 56 1HD2 ASN 56 -1.746 -7.785 -8.706 466 HD22 ASN 56 2HD2 ASN 56 -2.584 -7.362 -7.259 467 H ILE 57 H ILE 57 0.865 -12.335 -7.720 468 HA ILE 57 HA ILE 57 -0.634 -13.592 -5.520 469 HB ILE 57 HB ILE 57 2.016 -14.415 -6.832 470 HG12 ILE 57 2HG1 ILE 57 0.083 -14.847 -8.324 471 HG13 ILE 57 3HG1 ILE 57 0.764 -16.362 -7.744 472 HG21 ILE 57 1HG2 ILE 57 1.872 -16.486 -5.475 473 HG22 ILE 57 2HG2 ILE 57 0.449 -15.842 -4.653 474 HG23 ILE 57 3HG2 ILE 57 2.011 -15.043 -4.465 475 HD11 ILE 57 3HD1 ILE 57 -1.666 -16.446 -7.783 476 HD12 ILE 57 1HD1 ILE 57 -1.764 -15.042 -6.721 477 HD13 ILE 57 2HD1 ILE 57 -1.086 -16.559 -6.125 478 H ILE 58 H ILE 58 -0.507 -11.692 -4.308 479 HA ILE 58 HA ILE 58 2.132 -10.665 -3.476 480 HB ILE 58 HB ILE 58 -0.666 -9.455 -3.215 481 HG12 ILE 58 2HG1 ILE 58 1.672 -8.675 -5.041 482 HG13 ILE 58 3HG1 ILE 58 0.191 -9.476 -5.555 483 HG21 ILE 58 1HG2 ILE 58 0.460 -7.384 -2.441 484 HG22 ILE 58 2HG2 ILE 58 2.010 -8.227 -2.443 485 HG23 ILE 58 3HG2 ILE 58 0.735 -8.727 -1.331 486 HD11 ILE 58 3HD1 ILE 58 0.202 -7.123 -6.122 487 HD12 ILE 58 1HD1 ILE 58 0.389 -6.691 -4.424 488 HD13 ILE 58 2HD1 ILE 58 -1.090 -7.484 -4.978 489 H THR 59 H THR 59 2.669 -10.576 -1.306 490 HA THR 59 HA THR 59 0.929 -11.864 0.691 491 HB THR 59 HB THR 59 3.093 -13.049 1.562 492 HG1 THR 59 HG1 THR 59 4.810 -12.614 0.403 493 HG21 THR 59 3HG2 THR 59 1.243 -14.337 0.545 494 HG22 THR 59 1HG2 THR 59 2.807 -15.005 0.075 495 HG23 THR 59 2HG2 THR 59 1.892 -14.016 -1.066 496 H ARG 60 H ARG 60 1.787 -11.517 2.907 497 HA ARG 60 HA ARG 60 2.185 -8.783 3.466 498 HB2 ARG 60 2HB ARG 60 2.478 -11.219 5.269 499 HB3 ARG 60 3HB ARG 60 2.530 -9.556 5.845 500 HG2 ARG 60 2HG ARG 60 0.206 -9.225 5.015 501 HG3 ARG 60 3HG ARG 60 0.151 -10.929 4.545 502 HD2 ARG 60 2HD ARG 60 -0.914 -10.497 6.763 503 HD3 ARG 60 3HD ARG 60 0.454 -11.618 6.875 504 HE ARG 60 HE ARG 60 1.099 -8.812 7.317 505 HH11 ARG 60 1HH1 ARG 60 0.187 -11.820 8.923 506 HH12 ARG 60 2HH1 ARG 60 0.850 -11.326 10.444 507 HH21 ARG 60 1HH2 ARG 60 1.966 -8.224 9.304 508 HH22 ARG 60 2HH2 ARG 60 1.869 -9.305 10.656 509 H GLY 61 H GLY 61 3.962 -7.629 4.085 510 HA2 GLY 61 2HA GLY 61 6.172 -7.252 4.796 511 HA3 GLY 61 3HA GLY 61 6.610 -8.891 4.340 512 H ALA 62 H ALA 62 5.164 -8.438 1.687 513 HA ALA 62 HA ALA 62 7.444 -7.720 0.144 514 HB1 ALA 62 3HB ALA 62 5.776 -9.344 -0.647 515 HB2 ALA 62 1HB ALA 62 5.951 -8.018 -1.800 516 HB3 ALA 62 2HB ALA 62 4.552 -8.077 -0.721 517 H VAL 63 H VAL 63 7.984 -5.786 -0.860 518 HA VAL 63 HA VAL 63 6.282 -3.442 -0.386 519 HB VAL 63 HB VAL 63 9.070 -3.618 -1.631 520 HG11 VAL 63 1HG1 VAL 63 7.867 -1.657 -2.485 521 HG12 VAL 63 2HG1 VAL 63 9.152 -1.147 -1.387 522 HG13 VAL 63 3HG1 VAL 63 7.471 -1.149 -0.841 523 HG21 VAL 63 3HG2 VAL 63 9.898 -2.655 0.485 524 HG22 VAL 63 1HG2 VAL 63 9.099 -4.206 0.760 525 HG23 VAL 63 2HG2 VAL 63 8.267 -2.701 1.161 526 H VAL 64 H VAL 64 4.716 -3.196 -1.847 527 HA VAL 64 HA VAL 64 5.172 -3.913 -4.678 528 HB VAL 64 HB VAL 64 2.716 -3.696 -4.990 529 HG11 VAL 64 1HG1 VAL 64 3.463 -5.622 -2.763 530 HG12 VAL 64 2HG1 VAL 64 3.650 -5.905 -4.494 531 HG13 VAL 64 3HG1 VAL 64 2.035 -5.747 -3.799 532 HG21 VAL 64 3HG2 VAL 64 2.169 -2.055 -3.226 533 HG22 VAL 64 1HG2 VAL 64 2.549 -3.240 -1.973 534 HG23 VAL 64 2HG2 VAL 64 1.173 -3.500 -3.050 535 H GLU 65 H GLU 65 4.922 -2.356 -6.267 536 HA GLU 65 HA GLU 65 5.166 0.446 -5.353 537 HB2 GLU 65 2HB GLU 65 6.954 -0.395 -6.862 538 HB3 GLU 65 3HB GLU 65 5.746 -0.814 -8.073 539 HG2 GLU 65 2HG GLU 65 5.127 1.609 -8.229 540 HG3 GLU 65 3HG GLU 65 6.443 1.986 -7.114 541 H THR 66 H THR 66 3.616 1.894 -5.922 542 HA THR 66 HA THR 66 1.305 1.040 -7.557 543 HB THR 66 HB THR 66 -0.233 2.185 -5.960 544 HG1 THR 66 HG1 THR 66 1.894 2.328 -4.079 545 HG21 THR 66 3HG2 THR 66 0.091 -0.248 -5.629 546 HG22 THR 66 1HG2 THR 66 -0.172 0.569 -4.086 547 HG23 THR 66 2HG2 THR 66 1.455 0.067 -4.551 548 H ASN 67 H ASN 67 -0.086 3.047 -7.941 549 HA ASN 67 HA ASN 67 1.326 5.059 -9.338 550 HB2 ASN 67 2HB ASN 67 -0.912 6.176 -9.520 551 HB3 ASN 67 3HB ASN 67 -0.957 4.478 -9.979 552 HD21 ASN 67 1HD2 ASN 67 -3.136 6.194 -9.090 553 HD22 ASN 67 2HD2 ASN 67 -3.810 5.427 -7.700 554 H LEU 68 H LEU 68 0.400 4.750 -5.978 555 HA LEU 68 HA LEU 68 0.700 7.599 -5.386 556 HB2 LEU 68 2HB LEU 68 0.104 5.220 -3.585 557 HB3 LEU 68 3HB LEU 68 0.129 6.900 -3.060 558 HG LEU 68 HG LEU 68 -1.848 5.663 -5.028 559 HD11 LEU 68 1HD1 LEU 68 -2.295 5.020 -2.699 560 HD12 LEU 68 2HD1 LEU 68 -3.549 6.098 -3.307 561 HD13 LEU 68 3HD1 LEU 68 -2.305 6.718 -2.222 562 HD21 LEU 68 3HD2 LEU 68 -1.728 8.546 -4.045 563 HD22 LEU 68 1HD2 LEU 68 -3.003 7.850 -5.050 564 HD23 LEU 68 2HD2 LEU 68 -1.368 8.000 -5.685 565 H GLY 69 H GLY 69 2.405 4.515 -4.876 566 HA2 GLY 69 2HA GLY 69 4.927 5.258 -5.283 567 HA3 GLY 69 3HA GLY 69 4.695 5.850 -3.639 568 H ASN 70 H ASN 70 6.200 4.449 -2.757 569 HA ASN 70 HA ASN 70 6.090 1.576 -3.131 570 HB2 ASN 70 2HB ASN 70 7.639 3.136 -1.008 571 HB3 ASN 70 3HB ASN 70 7.998 1.524 -1.631 572 HD21 ASN 70 1HD2 ASN 70 7.684 2.098 -4.425 573 HD22 ASN 70 2HD2 ASN 70 8.992 3.127 -4.875 574 H VAL 71 H VAL 71 4.867 0.179 -1.910 575 HA VAL 71 HA VAL 71 3.770 1.100 0.690 576 HB VAL 71 HB VAL 71 2.364 -0.709 -1.345 577 HG11 VAL 71 1HG1 VAL 71 0.348 -0.387 0.047 578 HG12 VAL 71 2HG1 VAL 71 1.279 0.582 1.191 579 HG13 VAL 71 3HG1 VAL 71 1.654 -1.127 0.972 580 HG21 VAL 71 3HG2 VAL 71 0.858 1.196 -1.838 581 HG22 VAL 71 1HG2 VAL 71 2.531 1.551 -2.275 582 HG23 VAL 71 2HG2 VAL 71 1.841 2.240 -0.806 583 H ARG 72 H ARG 72 3.958 -0.297 2.361 584 HA ARG 72 HA ARG 72 5.149 -2.972 2.017 585 HB2 ARG 72 2HB ARG 72 4.747 -1.104 4.353 586 HB3 ARG 72 3HB ARG 72 4.770 -2.824 4.706 587 HG2 ARG 72 2HG ARG 72 7.005 -1.371 3.278 588 HG3 ARG 72 3HG ARG 72 6.963 -1.651 5.013 589 HD2 ARG 72 2HD ARG 72 6.906 -4.106 4.585 590 HD3 ARG 72 3HD ARG 72 7.030 -3.786 2.851 591 HE ARG 72 HE ARG 72 9.171 -2.487 3.711 592 HH11 ARG 72 1HH1 ARG 72 8.130 -5.715 4.653 593 HH12 ARG 72 2HH1 ARG 72 9.745 -6.253 4.982 594 HH21 ARG 72 1HH2 ARG 72 11.253 -3.225 4.156 595 HH22 ARG 72 2HH2 ARG 72 11.500 -4.857 4.696 596 H VAL 73 H VAL 73 3.757 -4.640 1.742 597 HA VAL 73 HA VAL 73 0.910 -4.366 2.080 598 HB VAL 73 HB VAL 73 2.568 -6.873 1.492 599 HG11 VAL 73 1HG1 VAL 73 0.328 -7.447 2.335 600 HG12 VAL 73 2HG1 VAL 73 0.455 -7.840 0.617 601 HG13 VAL 73 3HG1 VAL 73 -0.417 -6.392 1.137 602 HG21 VAL 73 3HG2 VAL 73 2.905 -5.123 -0.208 603 HG22 VAL 73 1HG2 VAL 73 1.162 -4.968 -0.432 604 HG23 VAL 73 2HG2 VAL 73 1.984 -6.466 -0.877 605 H THR 74 H THR 74 -0.012 -4.450 4.048 606 HA THR 74 HA THR 74 1.462 -5.642 6.319 607 HB THR 74 HB THR 74 -0.125 -4.196 7.707 608 HG1 THR 74 HG1 THR 74 -1.317 -2.633 6.627 609 HG21 THR 74 3HG2 THR 74 1.657 -2.713 5.730 610 HG22 THR 74 1HG2 THR 74 2.176 -3.434 7.260 611 HG23 THR 74 2HG2 THR 74 1.057 -2.070 7.260 612 H SER 75 H SER 75 -1.803 -5.215 5.029 613 HA SER 75 HA SER 75 -2.908 -7.456 6.505 614 HB2 SER 75 2HB SER 75 -4.250 -5.417 6.022 615 HB3 SER 75 3HB SER 75 -4.146 -5.764 4.297 616 HG SER 75 HG SER 75 -5.401 -7.580 4.607 617 H ARG 76 H ARG 76 -3.709 -9.362 5.577 618 HA ARG 76 HA ARG 76 -2.248 -10.498 3.381 619 HB2 ARG 76 2HB ARG 76 -2.842 -11.954 5.209 620 HB3 ARG 76 3HB ARG 76 -4.533 -11.477 5.132 621 HG2 ARG 76 2HG ARG 76 -4.248 -13.742 4.266 622 HG3 ARG 76 3HG ARG 76 -4.802 -12.655 2.995 623 HD2 ARG 76 2HD ARG 76 -2.443 -12.486 2.176 624 HD3 ARG 76 3HD ARG 76 -1.975 -13.688 3.382 625 HE ARG 76 HE ARG 76 -3.851 -15.055 2.142 626 HH11 ARG 76 1HH1 ARG 76 -1.407 -13.003 0.637 627 HH12 ARG 76 2HH1 ARG 76 -1.345 -13.943 -0.818 628 HH21 ARG 76 1HH2 ARG 76 -3.752 -16.279 0.236 629 HH22 ARG 76 2HH2 ARG 76 -2.679 -15.802 -1.046 630 HA PRO 77 HA PRO 77 -5.167 -9.293 -0.034 631 HB2 PRO 77 2HB PRO 77 -3.541 -11.598 -1.152 632 HB3 PRO 77 3HB PRO 77 -4.032 -10.091 -1.945 633 HG2 PRO 77 2HG PRO 77 -1.542 -10.361 -1.068 634 HG3 PRO 77 3HG PRO 77 -2.396 -8.819 -0.821 635 HD2 PRO 77 2HD PRO 77 -1.831 -11.025 1.156 636 HD3 PRO 77 3HD PRO 77 -1.832 -9.264 1.407 637 H GLY 78 H GLY 78 -7.114 -10.041 0.729 638 HA2 GLY 78 2HA GLY 78 -8.627 -12.026 0.018 639 HA3 GLY 78 3HA GLY 78 -7.595 -12.939 1.120 640 H GLN 79 H GLN 79 -7.238 -10.783 3.028 641 HA GLN 79 HA GLN 79 -9.566 -10.922 4.649 642 HB2 GLN 79 2HB GLN 79 -7.142 -9.078 4.774 643 HB3 GLN 79 3HB GLN 79 -8.416 -9.083 5.992 644 HG2 GLN 79 2HG GLN 79 -7.923 -11.448 6.505 645 HG3 GLN 79 3HG GLN 79 -6.639 -11.442 5.296 646 HE21 GLN 79 1HE2 GLN 79 -6.578 -11.920 8.224 647 HE22 GLN 79 2HE2 GLN 79 -5.418 -10.801 8.852 648 H ASP 80 H ASP 80 -11.430 -9.937 4.298 649 HA ASP 80 HA ASP 80 -13.070 -8.560 3.618 650 HB2 ASP 80 2HB ASP 80 -11.840 -6.622 4.489 651 HB3 ASP 80 3HB ASP 80 -10.876 -6.527 3.017 652 H GLY 81 H GLY 81 -10.590 -9.631 1.580 653 HA2 GLY 81 2HA GLY 81 -10.994 -10.480 -0.626 654 HA3 GLY 81 3HA GLY 81 -12.127 -9.165 -0.898 655 H VAL 82 H VAL 82 -10.749 -6.984 -0.054 656 HA VAL 82 HA VAL 82 -8.896 -6.476 -2.178 657 HB VAL 82 HB VAL 82 -10.561 -4.805 -1.188 658 HG11 VAL 82 1HG1 VAL 82 -9.909 -3.497 0.798 659 HG12 VAL 82 2HG1 VAL 82 -8.522 -4.561 1.049 660 HG13 VAL 82 3HG1 VAL 82 -10.161 -5.201 1.191 661 HG21 VAL 82 3HG2 VAL 82 -9.117 -2.822 -1.487 662 HG22 VAL 82 1HG2 VAL 82 -8.824 -4.034 -2.735 663 HG23 VAL 82 2HG2 VAL 82 -7.678 -3.844 -1.405 664 H ILE 83 H ILE 83 -6.729 -5.524 -1.813 665 HA ILE 83 HA ILE 83 -5.149 -6.735 0.362 666 HB ILE 83 HB ILE 83 -4.178 -4.998 -1.979 667 HG12 ILE 83 2HG1 ILE 83 -4.361 -8.046 -1.881 668 HG13 ILE 83 3HG1 ILE 83 -5.389 -7.002 -2.850 669 HG21 ILE 83 1HG2 ILE 83 -2.661 -6.961 -0.208 670 HG22 ILE 83 2HG2 ILE 83 -2.561 -5.202 -0.128 671 HG23 ILE 83 3HG2 ILE 83 -1.973 -6.049 -1.556 672 HD11 ILE 83 3HD1 ILE 83 -3.695 -8.048 -4.201 673 HD12 ILE 83 1HD1 ILE 83 -2.419 -7.390 -3.177 674 HD13 ILE 83 2HD1 ILE 83 -3.426 -6.307 -4.143 675 H ASN 84 H ASN 84 -4.045 -5.385 1.882 676 HA ASN 84 HA ASN 84 -4.413 -2.456 1.714 677 HB2 ASN 84 2HB ASN 84 -6.149 -3.311 3.276 678 HB3 ASN 84 3HB ASN 84 -4.923 -4.117 4.221 679 HD21 ASN 84 1HD2 ASN 84 -6.480 -1.115 3.579 680 HD22 ASN 84 2HD2 ASN 84 -5.696 -0.194 4.809 681 H GLY 85 H GLY 85 -2.761 -1.270 2.672 682 HA2 GLY 85 2HA GLY 85 -0.448 -2.573 3.868 683 HA3 GLY 85 3HA GLY 85 -0.184 -1.901 2.257 684 H VAL 86 H VAL 86 1.406 -0.724 3.904 685 HA VAL 86 HA VAL 86 0.136 1.876 4.547 686 HB VAL 86 HB VAL 86 1.913 2.293 6.255 687 HG11 VAL 86 1HG1 VAL 86 -0.288 1.503 6.998 688 HG12 VAL 86 2HG1 VAL 86 0.984 0.863 8.042 689 HG13 VAL 86 3HG1 VAL 86 0.237 -0.174 6.825 690 HG21 VAL 86 3HG2 VAL 86 3.667 0.768 5.439 691 HG22 VAL 86 1HG2 VAL 86 2.673 -0.630 5.852 692 HG23 VAL 86 2HG2 VAL 86 3.291 0.423 7.128 693 H LEU 87 H LEU 87 1.054 3.677 3.708 694 HA LEU 87 HA LEU 87 2.809 3.508 1.483 695 HB2 LEU 87 2HB LEU 87 1.013 5.222 1.806 696 HB3 LEU 87 3HB LEU 87 1.943 5.927 3.118 697 HG LEU 87 HG LEU 87 3.735 6.551 1.494 698 HD11 LEU 87 1HD1 LEU 87 1.853 5.492 -0.646 699 HD12 LEU 87 2HD1 LEU 87 3.407 4.792 -0.196 700 HD13 LEU 87 3HD1 LEU 87 3.346 6.391 -0.935 701 HD21 LEU 87 3HD2 LEU 87 1.977 8.179 2.067 702 HD22 LEU 87 1HD2 LEU 87 0.976 7.581 0.740 703 HD23 LEU 87 2HD2 LEU 87 2.511 8.383 0.398 704 H ILE 88 H ILE 88 5.013 3.663 1.421 705 HA ILE 88 HA ILE 88 6.546 4.513 3.810 706 HB ILE 88 HB ILE 88 8.177 2.684 3.444 707 HG12 ILE 88 2HG1 ILE 88 6.266 1.500 1.367 708 HG13 ILE 88 3HG1 ILE 88 7.686 2.440 0.938 709 HG21 ILE 88 1HG2 ILE 88 5.352 1.594 3.763 710 HG22 ILE 88 2HG2 ILE 88 6.358 2.267 5.047 711 HG23 ILE 88 3HG2 ILE 88 6.837 0.769 4.249 712 HD11 ILE 88 3HD1 ILE 88 7.747 -0.135 2.477 713 HD12 ILE 88 1HD1 ILE 88 9.131 0.785 1.899 714 HD13 ILE 88 2HD1 ILE 88 8.026 0.035 0.750 715 H ARG 89 H ARG 89 8.942 4.578 3.160 716 HA ARG 89 HA ARG 89 9.425 5.698 0.453 717 HB2 ARG 89 2HB ARG 89 10.635 6.538 3.134 718 HB3 ARG 89 3HB ARG 89 11.251 7.072 1.574 719 HG2 ARG 89 2HG ARG 89 8.429 7.627 2.552 720 HG3 ARG 89 3HG ARG 89 9.779 8.742 2.766 721 HD2 ARG 89 2HD ARG 89 8.743 7.753 0.084 722 HD3 ARG 89 3HD ARG 89 8.362 9.320 0.799 723 HE ARG 89 HE ARG 89 11.172 8.594 0.280 724 HH11 ARG 89 1HH1 ARG 89 8.459 10.680 -0.542 725 HH12 ARG 89 2HH1 ARG 89 9.453 11.822 -1.382 726 HH21 ARG 89 1HH2 ARG 89 12.416 10.053 -0.867 727 HH22 ARG 89 2HH2 ARG 89 11.695 11.461 -1.571 728 H GLU 90 H GLU 90 10.775 4.361 -0.645 729 HA GLU 90 HA GLU 90 12.965 2.977 0.681 730 HB2 GLU 90 2HB GLU 90 10.669 1.560 0.665 731 HB3 GLU 90 3HB GLU 90 11.137 1.215 -0.988 732 HG2 GLU 90 2HG GLU 90 12.678 0.529 1.528 733 HG3 GLU 90 3HG GLU 90 11.834 -0.588 0.462 734 H LEU 91 H LEU 91 11.159 2.746 -2.413 735 HA LEU 91 HA LEU 91 13.605 3.509 -3.865 736 HB2 LEU 91 2HB LEU 91 13.208 1.851 -5.603 737 HB3 LEU 91 3HB LEU 91 13.465 1.094 -4.048 738 HG LEU 91 HG LEU 91 10.699 1.424 -5.292 739 HD11 LEU 91 1HD1 LEU 91 12.068 0.050 -6.785 740 HD12 LEU 91 2HD1 LEU 91 10.823 -0.915 -6.001 741 HD13 LEU 91 3HD1 LEU 91 12.498 -1.019 -5.446 742 HD21 LEU 91 3HD2 LEU 91 9.998 -0.324 -3.720 743 HD22 LEU 91 1HD2 LEU 91 10.665 1.069 -2.867 744 HD23 LEU 91 2HD2 LEU 91 11.631 -0.395 -3.050 745 H GLU 92 H GLU 92 12.597 5.591 -3.815 746 HA GLU 92 HA GLU 92 10.276 6.185 -5.410 747 HB2 GLU 92 2HB GLU 92 12.511 8.092 -4.586 748 HB3 GLU 92 3HB GLU 92 10.952 8.558 -5.260 749 HG2 GLU 92 2HG GLU 92 10.739 8.970 -2.963 750 HG3 GLU 92 3HG GLU 92 9.900 7.437 -3.195 751 H HIS 93 H HIS 93 13.466 5.359 -6.139 752 HA HIS 93 HA HIS 93 13.822 6.488 -8.692 753 HB2 HIS 93 2HB HIS 93 15.595 5.307 -7.366 754 HB3 HIS 93 3HB HIS 93 14.769 3.781 -7.648 755 HD1 HIS 93 HD1 HIS 93 15.093 2.678 -9.960 756 HD2 HIS 93 HD2 HIS 93 16.967 6.371 -9.614 757 HE1 HIS 93 HE1 HIS 93 16.614 2.860 -11.944 758 HE2 HIS 93 HE2 HIS 93 17.873 5.002 -11.595 759 H HIS 94 H HIS 94 11.999 6.433 -9.910 760 HA HIS 94 HA HIS 94 10.115 4.348 -10.144 761 HB2 HIS 94 2HB HIS 94 10.740 6.585 -12.131 762 HB3 HIS 94 3HB HIS 94 9.292 5.581 -12.144 763 HD1 HIS 94 HD1 HIS 94 7.447 6.138 -10.426 764 HD2 HIS 94 HD2 HIS 94 10.771 8.616 -10.142 765 HE1 HIS 94 HE1 HIS 94 6.758 8.019 -8.920 766 HE2 HIS 94 HE2 HIS 94 8.819 9.428 -8.654 767 H HIS 95 H HIS 95 9.912 2.665 -11.591 768 HA HIS 95 HA HIS 95 12.356 1.566 -12.600 769 HB2 HIS 95 2HB HIS 95 9.482 0.544 -12.761 770 HB3 HIS 95 3HB HIS 95 10.886 -0.371 -13.316 771 HD1 HIS 95 HD1 HIS 95 8.847 0.197 -10.384 772 HD2 HIS 95 HD2 HIS 95 12.787 -0.892 -11.101 773 HE1 HIS 95 HE1 HIS 95 9.667 -0.827 -8.256 774 HE2 HIS 95 HE2 HIS 95 11.983 -1.634 -8.765 775 H HIS 96 H HIS 96 12.998 3.064 -14.162 776 HA HIS 96 HA HIS 96 11.591 3.098 -16.741 777 HB2 HIS 96 2HB HIS 96 13.351 4.822 -17.379 778 HB3 HIS 96 3HB HIS 96 12.267 5.305 -16.084 779 HD1 HIS 96 HD1 HIS 96 13.312 5.673 -13.748 780 HD2 HIS 96 HD2 HIS 96 16.086 4.579 -16.632 781 HE1 HIS 96 HE1 HIS 96 15.553 6.166 -12.752 782 HE2 HIS 96 HE2 HIS 96 17.193 5.714 -14.600 783 H HIS 97 H HIS 97 11.943 1.032 -17.467 784 HA HIS 97 HA HIS 97 14.592 -0.209 -17.442 785 HB2 HIS 97 2HB HIS 97 12.681 -1.608 -16.838 786 HB3 HIS 97 3HB HIS 97 11.845 -1.194 -18.333 787 HD1 HIS 97 HD1 HIS 97 12.845 -2.283 -20.564 788 HD2 HIS 97 HD2 HIS 97 14.442 -3.735 -17.015 789 HE1 HIS 97 HE1 HIS 97 14.006 -4.418 -21.164 790 HE2 HIS 97 HE2 HIS 97 15.141 -5.146 -19.054 791 H HIS 98 H HIS 98 15.993 0.203 -19.100 792 HA HIS 98 HA HIS 98 15.125 1.153 -21.673 793 HB2 HIS 98 2HB HIS 98 17.585 0.911 -22.316 794 HB3 HIS 98 3HB HIS 98 17.222 2.002 -20.990 795 HD1 HIS 98 HD1 HIS 98 18.178 1.389 -18.659 796 HD2 HIS 98 HD2 HIS 98 19.159 -1.356 -21.615 797 HE1 HIS 98 HE1 HIS 98 20.037 0.006 -17.714 798 HE2 HIS 98 HE2 HIS 98 20.721 -1.526 -19.577 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -19.720 41.961 -11.555 2 H2 GLY 1 2H GLY 1 -19.432 42.143 -13.211 3 H3 GLY 1 3H GLY 1 -18.286 42.668 -12.090 4 HA2 GLY 1 2HA GLY 1 -17.573 40.609 -13.087 5 HA3 GLY 1 3HA GLY 1 -17.872 40.433 -11.362 6 H ASP 2 H ASP 2 -17.817 38.184 -12.809 7 HA ASP 2 HA ASP 2 -20.623 37.390 -13.321 8 HB2 ASP 2 2HB ASP 2 -17.996 36.031 -14.061 9 HB3 ASP 2 3HB ASP 2 -19.587 35.337 -14.362 10 H ARG 3 H ARG 3 -21.647 36.277 -11.782 11 HA ARG 3 HA ARG 3 -20.168 34.922 -9.622 12 HB2 ARG 3 2HB ARG 3 -23.164 35.436 -9.930 13 HB3 ARG 3 3HB ARG 3 -22.391 34.717 -8.524 14 HG2 ARG 3 2HG ARG 3 -22.068 37.562 -9.512 15 HG3 ARG 3 3HG ARG 3 -22.923 37.036 -8.064 16 HD2 ARG 3 2HD ARG 3 -19.931 36.829 -8.553 17 HD3 ARG 3 3HD ARG 3 -20.741 37.982 -7.488 18 HE ARG 3 HE ARG 3 -21.359 35.263 -6.811 19 HH11 ARG 3 1HH1 ARG 3 -18.906 37.758 -6.371 20 HH12 ARG 3 2HH1 ARG 3 -18.291 37.049 -4.913 21 HH21 ARG 3 1HH2 ARG 3 -20.530 34.356 -4.911 22 HH22 ARG 3 2HH2 ARG 3 -19.196 35.114 -4.090 23 H ARG 4 H ARG 4 -19.640 32.844 -9.998 24 HA ARG 4 HA ARG 4 -20.908 31.318 -12.100 25 HB2 ARG 4 2HB ARG 4 -18.446 31.213 -11.640 26 HB3 ARG 4 3HB ARG 4 -18.789 30.383 -10.120 27 HG2 ARG 4 2HG ARG 4 -19.881 28.542 -11.442 28 HG3 ARG 4 3HG ARG 4 -19.413 29.375 -12.925 29 HD2 ARG 4 2HD ARG 4 -17.017 29.167 -12.236 30 HD3 ARG 4 3HD ARG 4 -17.533 28.230 -10.829 31 HE ARG 4 HE ARG 4 -18.535 27.103 -13.247 32 HH11 ARG 4 1HH1 ARG 4 -15.590 27.293 -11.310 33 HH12 ARG 4 2HH1 ARG 4 -14.912 25.856 -11.994 34 HH21 ARG 4 1HH2 ARG 4 -17.625 25.243 -14.135 35 HH22 ARG 4 2HH2 ARG 4 -16.064 24.697 -13.622 36 H VAL 5 H VAL 5 -23.048 31.202 -11.314 37 HA VAL 5 HA VAL 5 -23.761 29.743 -8.929 38 HB VAL 5 HB VAL 5 -25.476 30.375 -11.390 39 HG11 VAL 5 1HG1 VAL 5 -27.422 30.147 -9.899 40 HG12 VAL 5 2HG1 VAL 5 -26.364 29.680 -8.565 41 HG13 VAL 5 3HG1 VAL 5 -26.503 28.643 -9.987 42 HG21 VAL 5 3HG2 VAL 5 -25.130 32.021 -8.846 43 HG22 VAL 5 1HG2 VAL 5 -26.272 32.366 -10.152 44 HG23 VAL 5 2HG2 VAL 5 -24.536 32.451 -10.454 45 H ARG 6 H ARG 6 -22.945 28.966 -12.192 46 HA ARG 6 HA ARG 6 -24.073 26.367 -12.411 47 HB2 ARG 6 2HB ARG 6 -23.396 27.932 -14.319 48 HB3 ARG 6 3HB ARG 6 -21.723 27.533 -13.963 49 HG2 ARG 6 2HG ARG 6 -22.516 26.245 -15.871 50 HG3 ARG 6 3HG ARG 6 -22.167 25.165 -14.521 51 HD2 ARG 6 2HD ARG 6 -24.279 24.615 -15.780 52 HD3 ARG 6 3HD ARG 6 -24.504 24.875 -14.051 53 HE ARG 6 HE ARG 6 -25.371 27.112 -14.589 54 HH11 ARG 6 1HH1 ARG 6 -25.315 24.829 -17.253 55 HH12 ARG 6 2HH1 ARG 6 -26.659 25.569 -18.064 56 HH21 ARG 6 1HH2 ARG 6 -27.092 28.075 -15.666 57 HH22 ARG 6 2HH2 ARG 6 -27.650 27.428 -17.178 58 H LEU 7 H LEU 7 -23.442 25.331 -10.448 59 HA LEU 7 HA LEU 7 -20.622 24.463 -10.285 60 HB2 LEU 7 2HB LEU 7 -21.683 25.889 -8.370 61 HB3 LEU 7 3HB LEU 7 -22.561 24.437 -7.950 62 HG LEU 7 HG LEU 7 -20.506 24.810 -6.545 63 HD11 LEU 7 1HD1 LEU 7 -20.336 22.239 -8.154 64 HD12 LEU 7 2HD1 LEU 7 -21.370 22.514 -6.753 65 HD13 LEU 7 3HD1 LEU 7 -19.619 22.538 -6.563 66 HD21 LEU 7 3HD2 LEU 7 -19.059 25.840 -8.226 67 HD22 LEU 7 1HD2 LEU 7 -18.953 24.316 -9.118 68 HD23 LEU 7 2HD2 LEU 7 -18.267 24.451 -7.495 69 H ILE 8 H ILE 8 -20.981 22.806 -11.737 70 HA ILE 8 HA ILE 8 -22.766 20.596 -11.044 71 HB ILE 8 HB ILE 8 -20.764 20.899 -13.338 72 HG12 ILE 8 2HG1 ILE 8 -23.817 21.188 -13.330 73 HG13 ILE 8 3HG1 ILE 8 -22.670 22.513 -13.447 74 HG21 ILE 8 1HG2 ILE 8 -21.163 18.507 -12.826 75 HG22 ILE 8 2HG2 ILE 8 -21.898 18.936 -14.370 76 HG23 ILE 8 3HG2 ILE 8 -22.907 18.767 -12.933 77 HD11 ILE 8 3HD1 ILE 8 -21.904 21.649 -15.606 78 HD12 ILE 8 1HD1 ILE 8 -23.626 22.029 -15.595 79 HD13 ILE 8 2HD1 ILE 8 -23.095 20.350 -15.494 80 H ARG 9 H ARG 9 -22.088 18.754 -10.080 81 HA ARG 9 HA ARG 9 -19.232 18.219 -9.634 82 HB2 ARG 9 2HB ARG 9 -19.629 17.685 -7.238 83 HB3 ARG 9 3HB ARG 9 -19.893 19.379 -7.596 84 HG2 ARG 9 2HG ARG 9 -22.201 17.421 -7.377 85 HG3 ARG 9 3HG ARG 9 -21.534 18.259 -5.974 86 HD2 ARG 9 2HD ARG 9 -22.081 20.427 -6.992 87 HD3 ARG 9 3HD ARG 9 -22.698 19.614 -8.434 88 HE ARG 9 HE ARG 9 -24.153 18.549 -6.367 89 HH11 ARG 9 1HH1 ARG 9 -23.626 21.820 -7.532 90 HH12 ARG 9 2HH1 ARG 9 -25.178 22.384 -7.006 91 HH21 ARG 9 1HH2 ARG 9 -26.207 19.306 -5.694 92 HH22 ARG 9 2HH2 ARG 9 -26.637 20.963 -5.970 93 H THR 10 H THR 10 -18.723 16.071 -9.614 94 HA THR 10 HA THR 10 -20.485 14.290 -10.948 95 HB THR 10 HB THR 10 -18.653 12.561 -10.479 96 HG1 THR 10 HG1 THR 10 -17.864 13.479 -8.529 97 HG21 THR 10 3HG2 THR 10 -17.726 15.197 -11.706 98 HG22 THR 10 1HG2 THR 10 -18.621 13.932 -12.548 99 HG23 THR 10 2HG2 THR 10 -16.985 13.618 -11.972 100 H ARG 11 H ARG 11 -22.209 13.333 -10.026 101 HA ARG 11 HA ARG 11 -22.502 12.875 -7.198 102 HB2 ARG 11 2HB ARG 11 -24.350 13.447 -8.916 103 HB3 ARG 11 3HB ARG 11 -24.272 11.785 -9.450 104 HG2 ARG 11 2HG ARG 11 -24.940 12.568 -6.602 105 HG3 ARG 11 3HG ARG 11 -26.158 12.376 -7.856 106 HD2 ARG 11 2HD ARG 11 -24.312 10.236 -6.767 107 HD3 ARG 11 3HD ARG 11 -26.055 10.368 -6.509 108 HE ARG 11 HE ARG 11 -25.926 10.202 -9.189 109 HH11 ARG 11 1HH1 ARG 11 -24.463 8.185 -6.695 110 HH12 ARG 11 2HH1 ARG 11 -24.386 6.785 -7.717 111 HH21 ARG 11 1HH2 ARG 11 -25.824 8.351 -10.494 112 HH22 ARG 11 2HH2 ARG 11 -25.175 6.871 -9.857 113 H GLY 12 H GLY 12 -20.984 11.416 -6.475 114 HA2 GLY 12 2HA GLY 12 -20.504 8.843 -7.762 115 HA3 GLY 12 3HA GLY 12 -19.766 9.450 -6.286 116 H GLY 13 H GLY 13 -20.245 7.050 -5.838 117 HA2 GLY 13 2HA GLY 13 -22.413 6.907 -3.958 118 HA3 GLY 13 3HA GLY 13 -22.746 5.974 -5.415 119 H ASN 14 H ASN 14 -22.797 4.104 -4.049 120 HA ASN 14 HA ASN 14 -20.285 3.165 -2.863 121 HB2 ASN 14 2HB ASN 14 -21.588 1.379 -1.884 122 HB3 ASN 14 3HB ASN 14 -22.492 2.877 -1.684 123 HD21 ASN 14 1HD2 ASN 14 -24.386 3.177 -3.007 124 HD22 ASN 14 2HD2 ASN 14 -25.206 1.821 -3.691 125 H THR 15 H THR 15 -21.238 3.316 -5.938 126 HA THR 15 HA THR 15 -20.590 0.724 -6.971 127 HB THR 15 HB THR 15 -20.231 2.110 -9.143 128 HG1 THR 15 HG1 THR 15 -19.834 4.112 -8.172 129 HG21 THR 15 3HG2 THR 15 -22.647 2.526 -9.471 130 HG22 THR 15 1HG2 THR 15 -22.928 2.284 -7.746 131 HG23 THR 15 2HG2 THR 15 -22.358 0.946 -8.744 132 H LYS 16 H LYS 16 -18.710 0.965 -8.866 133 HA LYS 16 HA LYS 16 -16.527 0.756 -9.336 134 HB2 LYS 16 2HB LYS 16 -16.411 3.231 -8.846 135 HB3 LYS 16 3HB LYS 16 -15.981 2.848 -7.185 136 HG2 LYS 16 2HG LYS 16 -13.938 1.657 -8.074 137 HG3 LYS 16 3HG LYS 16 -14.354 2.268 -9.680 138 HD2 LYS 16 2HD LYS 16 -13.688 3.948 -7.226 139 HD3 LYS 16 3HD LYS 16 -12.624 3.667 -8.599 140 HE2 LYS 16 2HE LYS 16 -13.510 5.858 -8.891 141 HE3 LYS 16 3HE LYS 16 -14.394 4.852 -10.034 142 HZ1 LYS 16 3HZ LYS 16 -15.438 5.584 -7.345 143 HZ2 LYS 16 1HZ LYS 16 -16.298 4.882 -8.622 144 HZ3 LYS 16 2HZ LYS 16 -15.759 6.478 -8.739 145 H VAL 17 H VAL 17 -16.354 -1.359 -8.674 146 HA VAL 17 HA VAL 17 -16.197 -2.236 -5.971 147 HB VAL 17 HB VAL 17 -16.930 -3.629 -7.960 148 HG11 VAL 17 1HG1 VAL 17 -13.957 -3.957 -8.483 149 HG12 VAL 17 2HG1 VAL 17 -15.104 -3.095 -9.514 150 HG13 VAL 17 3HG1 VAL 17 -15.263 -4.838 -9.286 151 HG21 VAL 17 3HG2 VAL 17 -16.074 -5.780 -7.093 152 HG22 VAL 17 1HG2 VAL 17 -16.556 -4.698 -5.784 153 HG23 VAL 17 2HG2 VAL 17 -14.845 -4.921 -6.159 154 H ARG 18 H ARG 18 -14.312 -3.421 -5.064 155 HA ARG 18 HA ARG 18 -12.190 -1.739 -4.515 156 HB2 ARG 18 2HB ARG 18 -12.094 -4.768 -4.137 157 HB3 ARG 18 3HB ARG 18 -11.198 -3.554 -3.232 158 HG2 ARG 18 2HG ARG 18 -12.841 -4.031 -1.693 159 HG3 ARG 18 3HG ARG 18 -13.657 -2.740 -2.563 160 HD2 ARG 18 2HD ARG 18 -14.700 -4.630 -4.013 161 HD3 ARG 18 3HD ARG 18 -14.121 -5.726 -2.767 162 HE ARG 18 HE ARG 18 -15.495 -3.830 -1.378 163 HH11 ARG 18 1HH1 ARG 18 -16.360 -6.045 -3.980 164 HH12 ARG 18 2HH1 ARG 18 -18.041 -6.069 -3.562 165 HH21 ARG 18 1HH2 ARG 18 -17.727 -3.900 -0.842 166 HH22 ARG 18 2HH2 ARG 18 -18.804 -4.865 -1.797 167 H LEU 19 H LEU 19 -12.231 -4.644 -6.544 168 HA LEU 19 HA LEU 19 -10.520 -3.482 -8.523 169 HB2 LEU 19 2HB LEU 19 -8.837 -5.442 -8.477 170 HB3 LEU 19 3HB LEU 19 -8.659 -4.181 -7.273 171 HG LEU 19 HG LEU 19 -9.834 -5.761 -5.614 172 HD11 LEU 19 1HD1 LEU 19 -9.270 -7.838 -7.741 173 HD12 LEU 19 2HD1 LEU 19 -10.852 -7.336 -7.154 174 HD13 LEU 19 3HD1 LEU 19 -9.745 -8.177 -6.073 175 HD21 LEU 19 3HD2 LEU 19 -7.151 -6.597 -6.743 176 HD22 LEU 19 1HD2 LEU 19 -7.773 -7.025 -5.144 177 HD23 LEU 19 2HD2 LEU 19 -7.432 -5.339 -5.534 178 H ALA 20 H ALA 20 -10.418 -4.860 -10.506 179 HA ALA 20 HA ALA 20 -12.434 -7.013 -10.612 180 HB1 ALA 20 3HB ALA 20 -12.592 -4.570 -12.413 181 HB2 ALA 20 1HB ALA 20 -13.686 -4.929 -11.079 182 HB3 ALA 20 2HB ALA 20 -13.643 -5.987 -12.492 183 H SER 21 H SER 21 -10.651 -5.062 -13.022 184 HA SER 21 HA SER 21 -9.451 -7.548 -14.166 185 HB2 SER 21 2HB SER 21 -9.989 -4.874 -15.568 186 HB3 SER 21 3HB SER 21 -9.365 -6.342 -16.322 187 HG SER 21 HG SER 21 -11.438 -6.542 -16.769 188 H ASP 22 H ASP 22 -8.447 -6.240 -11.907 189 HA ASP 22 HA ASP 22 -5.819 -5.276 -12.619 190 HB2 ASP 22 2HB ASP 22 -6.144 -3.003 -11.599 191 HB3 ASP 22 3HB ASP 22 -7.149 -3.238 -13.027 192 H THR 23 H THR 23 -4.816 -4.311 -10.491 193 HA THR 23 HA THR 23 -5.698 -5.817 -8.087 194 HB THR 23 HB THR 23 -2.755 -5.276 -8.718 195 HG1 THR 23 HG1 THR 23 -3.227 -6.653 -10.305 196 HG21 THR 23 3HG2 THR 23 -3.316 -5.803 -6.348 197 HG22 THR 23 1HG2 THR 23 -2.369 -7.097 -7.086 198 HG23 THR 23 2HG2 THR 23 -4.109 -7.292 -6.875 199 H ARG 24 H ARG 24 -6.359 -4.312 -6.671 200 HA ARG 24 HA ARG 24 -4.806 -1.821 -6.344 201 HB2 ARG 24 2HB ARG 24 -7.817 -2.205 -6.386 202 HB3 ARG 24 3HB ARG 24 -7.093 -0.836 -5.546 203 HG2 ARG 24 2HG ARG 24 -5.993 -0.135 -7.651 204 HG3 ARG 24 3HG ARG 24 -6.759 -1.475 -8.493 205 HD2 ARG 24 2HD ARG 24 -8.305 0.737 -7.106 206 HD3 ARG 24 3HD ARG 24 -7.894 0.735 -8.824 207 HE ARG 24 HE ARG 24 -9.256 -1.648 -7.954 208 HH11 ARG 24 1HH1 ARG 24 -9.766 1.606 -9.171 209 HH12 ARG 24 2HH1 ARG 24 -11.317 1.236 -9.841 210 HH21 ARG 24 1HH2 ARG 24 -11.324 -2.086 -8.770 211 HH22 ARG 24 2HH2 ARG 24 -12.230 -0.849 -9.563 212 H ILE 25 H ILE 25 -5.090 -0.819 -4.206 213 HA ILE 25 HA ILE 25 -5.279 -2.721 -1.984 214 HB ILE 25 HB ILE 25 -2.997 -3.065 -2.784 215 HG12 ILE 25 2HG1 ILE 25 -2.822 -1.241 -0.328 216 HG13 ILE 25 3HG1 ILE 25 -3.292 -2.937 -0.282 217 HG21 ILE 25 1HG2 ILE 25 -2.595 -0.052 -2.665 218 HG22 ILE 25 2HG2 ILE 25 -2.714 -1.031 -4.126 219 HG23 ILE 25 3HG2 ILE 25 -1.345 -1.238 -3.038 220 HD11 ILE 25 3HD1 ILE 25 -1.076 -3.573 -1.109 221 HD12 ILE 25 1HD1 ILE 25 -0.993 -2.653 0.394 222 HD13 ILE 25 2HD1 ILE 25 -0.604 -1.869 -1.139 223 H ASN 26 H ASN 26 -5.718 -1.711 -0.045 224 HA ASN 26 HA ASN 26 -6.404 1.128 -0.069 225 HB2 ASN 26 2HB ASN 26 -6.661 -0.980 2.138 226 HB3 ASN 26 3HB ASN 26 -7.257 0.673 2.246 227 HD21 ASN 26 1HD2 ASN 26 -7.755 -2.453 0.827 228 HD22 ASN 26 2HD2 ASN 26 -9.337 -2.137 0.210 229 H VAL 27 H VAL 27 -4.688 2.419 0.126 230 HA VAL 27 HA VAL 27 -2.252 1.553 1.496 231 HB VAL 27 HB VAL 27 -2.807 3.864 -0.427 232 HG11 VAL 27 1HG1 VAL 27 -0.966 4.462 1.065 233 HG12 VAL 27 2HG1 VAL 27 -0.348 4.137 -0.554 234 HG13 VAL 27 3HG1 VAL 27 -0.154 2.934 0.722 235 HG21 VAL 27 3HG2 VAL 27 -1.353 1.231 -0.903 236 HG22 VAL 27 1HG2 VAL 27 -1.533 2.546 -2.073 237 HG23 VAL 27 2HG2 VAL 27 -2.952 1.669 -1.508 238 H VAL 28 H VAL 28 -2.043 2.190 3.523 239 HA VAL 28 HA VAL 28 -3.428 4.578 4.583 240 HB VAL 28 HB VAL 28 -2.207 2.193 6.074 241 HG11 VAL 28 1HG1 VAL 28 -2.251 4.214 7.454 242 HG12 VAL 28 2HG1 VAL 28 -3.409 3.027 8.054 243 HG13 VAL 28 3HG1 VAL 28 -3.970 4.430 7.137 244 HG21 VAL 28 3HG2 VAL 28 -4.135 1.472 4.735 245 HG22 VAL 28 1HG2 VAL 28 -5.139 2.727 5.456 246 HG23 VAL 28 2HG2 VAL 28 -4.518 1.410 6.457 247 H ASP 29 H ASP 29 -2.043 6.277 4.394 248 HA ASP 29 HA ASP 29 0.793 6.137 4.621 249 HB2 ASP 29 2HB ASP 29 -0.463 7.977 3.415 250 HB3 ASP 29 3HB ASP 29 -0.961 8.619 4.981 251 HA PRO 30 HA PRO 30 0.345 5.514 9.073 252 HB2 PRO 30 2HB PRO 30 2.914 4.890 9.691 253 HB3 PRO 30 3HB PRO 30 1.900 3.809 8.726 254 HG2 PRO 30 2HG PRO 30 3.981 5.786 7.788 255 HG3 PRO 30 3HG PRO 30 3.749 4.095 7.287 256 HD2 PRO 30 2HD PRO 30 2.801 6.210 5.826 257 HD3 PRO 30 3HD PRO 30 1.998 4.625 5.852 258 H GLU 31 H GLU 31 1.927 8.181 7.663 259 HA GLU 31 HA GLU 31 2.824 9.340 10.217 260 HB2 GLU 31 2HB GLU 31 3.127 10.440 7.398 261 HB3 GLU 31 3HB GLU 31 3.946 11.021 8.853 262 HG2 GLU 31 2HG GLU 31 5.104 8.784 9.006 263 HG3 GLU 31 3HG GLU 31 4.347 8.340 7.472 264 H THR 32 H THR 32 0.791 10.267 7.423 265 HA THR 32 HA THR 32 -0.483 12.392 9.023 266 HB THR 32 HB THR 32 -1.309 13.281 6.827 267 HG1 THR 32 HG1 THR 32 0.367 11.303 5.615 268 HG21 THR 32 3HG2 THR 32 1.700 12.799 6.888 269 HG22 THR 32 1HG2 THR 32 0.847 14.099 7.726 270 HG23 THR 32 2HG2 THR 32 0.859 14.045 5.963 271 H GLY 33 H GLY 33 -1.278 9.404 7.340 272 HA2 GLY 33 2HA GLY 33 -3.082 8.022 8.044 273 HA3 GLY 33 3HA GLY 33 -3.963 9.450 8.565 274 H LYS 34 H LYS 34 -2.477 9.644 5.430 275 HA LYS 34 HA LYS 34 -4.927 9.852 4.006 276 HB2 LYS 34 2HB LYS 34 -2.151 9.254 2.893 277 HB3 LYS 34 3HB LYS 34 -3.533 9.785 1.946 278 HG2 LYS 34 2HG LYS 34 -3.544 11.929 3.182 279 HG3 LYS 34 3HG LYS 34 -2.135 11.392 4.096 280 HD2 LYS 34 2HD LYS 34 -0.799 11.280 2.022 281 HD3 LYS 34 3HD LYS 34 -2.213 11.733 1.067 282 HE2 LYS 34 2HE LYS 34 -0.718 13.655 1.398 283 HE3 LYS 34 3HE LYS 34 -2.277 13.930 2.183 284 HZ1 LYS 34 3HZ LYS 34 0.233 13.068 3.526 285 HZ2 LYS 34 1HZ LYS 34 -1.255 13.323 4.292 286 HZ3 LYS 34 2HZ LYS 34 -0.441 14.617 3.576 287 H VAL 35 H VAL 35 -6.293 8.132 3.956 288 HA VAL 35 HA VAL 35 -5.271 5.460 3.150 289 HB VAL 35 HB VAL 35 -7.963 6.087 4.474 290 HG11 VAL 35 1HG1 VAL 35 -6.598 3.421 3.927 291 HG12 VAL 35 2HG1 VAL 35 -8.020 4.053 3.097 292 HG13 VAL 35 3HG1 VAL 35 -8.116 3.635 4.806 293 HG21 VAL 35 3HG2 VAL 35 -5.449 4.920 5.750 294 HG22 VAL 35 1HG2 VAL 35 -7.020 5.100 6.537 295 HG23 VAL 35 2HG2 VAL 35 -6.112 6.529 6.047 296 H GLU 36 H GLU 36 -5.589 4.993 1.041 297 HA GLU 36 HA GLU 36 -7.994 5.756 -0.385 298 HB2 GLU 36 2HB GLU 36 -6.582 7.810 -0.555 299 HB3 GLU 36 3HB GLU 36 -5.270 6.851 -1.231 300 HG2 GLU 36 2HG GLU 36 -6.456 8.127 -2.966 301 HG3 GLU 36 3HG GLU 36 -6.599 6.392 -3.238 302 H ILE 37 H ILE 37 -8.241 4.600 -2.345 303 HA ILE 37 HA ILE 37 -6.840 2.041 -2.356 304 HB ILE 37 HB ILE 37 -9.199 2.957 -4.073 305 HG12 ILE 37 2HG1 ILE 37 -9.157 1.314 -1.494 306 HG13 ILE 37 3HG1 ILE 37 -9.813 2.931 -1.683 307 HG21 ILE 37 1HG2 ILE 37 -7.945 1.099 -5.120 308 HG22 ILE 37 2HG2 ILE 37 -9.525 0.547 -4.573 309 HG23 ILE 37 3HG2 ILE 37 -8.083 0.150 -3.636 310 HD11 ILE 37 3HD1 ILE 37 -11.531 2.052 -3.185 311 HD12 ILE 37 1HD1 ILE 37 -11.578 1.328 -1.580 312 HD13 ILE 37 2HD1 ILE 37 -10.897 0.422 -2.928 313 H ALA 38 H ALA 38 -4.877 2.264 -3.262 314 HA ALA 38 HA ALA 38 -4.442 3.800 -5.727 315 HB1 ALA 38 3HB ALA 38 -2.465 2.289 -4.004 316 HB2 ALA 38 1HB ALA 38 -2.843 4.005 -3.871 317 HB3 ALA 38 2HB ALA 38 -2.070 3.389 -5.331 318 H GLU 39 H GLU 39 -3.145 2.791 -7.456 319 HA GLU 39 HA GLU 39 -4.134 0.058 -8.070 320 HB2 GLU 39 2HB GLU 39 -3.333 2.252 -10.043 321 HB3 GLU 39 3HB GLU 39 -3.990 0.664 -10.454 322 HG2 GLU 39 2HG GLU 39 -6.115 1.244 -9.356 323 HG3 GLU 39 3HG GLU 39 -5.472 2.811 -8.892 324 H ILE 40 H ILE 40 -2.616 -1.496 -8.242 325 HA ILE 40 HA ILE 40 0.105 -0.817 -7.549 326 HB ILE 40 HB ILE 40 -1.154 -3.549 -8.090 327 HG12 ILE 40 2HG1 ILE 40 -0.605 -2.059 -5.475 328 HG13 ILE 40 3HG1 ILE 40 -2.184 -2.427 -6.143 329 HG21 ILE 40 1HG2 ILE 40 0.841 -4.502 -6.953 330 HG22 ILE 40 2HG2 ILE 40 1.538 -2.885 -6.821 331 HG23 ILE 40 3HG2 ILE 40 1.302 -3.615 -8.410 332 HD11 ILE 40 3HD1 ILE 40 -1.761 -4.815 -5.790 333 HD12 ILE 40 1HD1 ILE 40 -1.683 -3.876 -4.297 334 HD13 ILE 40 2HD1 ILE 40 -0.198 -4.413 -5.077 335 H ARG 41 H ARG 41 1.440 -0.139 -9.065 336 HA ARG 41 HA ARG 41 1.203 -0.630 -11.882 337 HB2 ARG 41 2HB ARG 41 3.487 0.566 -10.248 338 HB3 ARG 41 3HB ARG 41 3.363 0.621 -12.005 339 HG2 ARG 41 2HG ARG 41 1.326 2.003 -11.827 340 HG3 ARG 41 3HG ARG 41 1.438 1.949 -10.064 341 HD2 ARG 41 2HD ARG 41 3.606 3.113 -10.147 342 HD3 ARG 41 3HD ARG 41 3.542 3.120 -11.913 343 HE ARG 41 HE ARG 41 1.261 4.366 -11.255 344 HH11 ARG 41 1HH1 ARG 41 4.574 4.928 -10.239 345 HH12 ARG 41 2HH1 ARG 41 4.346 6.629 -10.014 346 HH21 ARG 41 1HH2 ARG 41 0.983 6.614 -10.959 347 HH22 ARG 41 2HH2 ARG 41 2.311 7.590 -10.424 348 H ASN 42 H ASN 42 3.178 -1.874 -9.251 349 HA ASN 42 HA ASN 42 4.258 -4.038 -10.910 350 HB2 ASN 42 2HB ASN 42 5.907 -2.175 -11.082 351 HB3 ASN 42 3HB ASN 42 5.977 -2.059 -9.329 352 HD21 ASN 42 1HD2 ASN 42 8.236 -2.390 -9.449 353 HD22 ASN 42 2HD2 ASN 42 8.915 -3.947 -9.740 354 H VAL 43 H VAL 43 4.385 -5.923 -9.736 355 HA VAL 43 HA VAL 43 3.236 -5.899 -7.041 356 HB VAL 43 HB VAL 43 3.104 -8.373 -7.258 357 HG11 VAL 43 1HG1 VAL 43 1.237 -7.013 -8.072 358 HG12 VAL 43 2HG1 VAL 43 1.424 -8.454 -9.070 359 HG13 VAL 43 3HG1 VAL 43 1.991 -6.891 -9.662 360 HG21 VAL 43 3HG2 VAL 43 4.374 -7.987 -10.005 361 HG22 VAL 43 1HG2 VAL 43 3.707 -9.498 -9.383 362 HG23 VAL 43 2HG2 VAL 43 5.123 -8.781 -8.618 363 H VAL 44 H VAL 44 6.359 -5.806 -8.304 364 HA VAL 44 HA VAL 44 7.526 -6.849 -5.772 365 HB VAL 44 HB VAL 44 9.615 -7.340 -7.005 366 HG11 VAL 44 1HG1 VAL 44 8.870 -9.308 -8.294 367 HG12 VAL 44 2HG1 VAL 44 7.211 -8.700 -8.273 368 HG13 VAL 44 3HG1 VAL 44 8.005 -9.159 -6.765 369 HG21 VAL 44 3HG2 VAL 44 9.742 -7.269 -9.458 370 HG22 VAL 44 1HG2 VAL 44 9.467 -5.652 -8.803 371 HG23 VAL 44 2HG2 VAL 44 8.135 -6.549 -9.539 372 H GLU 45 H GLU 45 9.591 -5.714 -5.162 373 HA GLU 45 HA GLU 45 9.503 -2.818 -5.688 374 HB2 GLU 45 2HB GLU 45 11.303 -2.697 -3.952 375 HB3 GLU 45 3HB GLU 45 9.839 -3.476 -3.368 376 HG2 GLU 45 2HG GLU 45 10.926 -5.703 -3.683 377 HG3 GLU 45 3HG GLU 45 12.396 -4.886 -4.198 378 H ASN 46 H ASN 46 11.536 -5.655 -6.259 379 HA ASN 46 HA ASN 46 12.866 -4.375 -8.512 380 HB2 ASN 46 2HB ASN 46 14.364 -3.800 -6.587 381 HB3 ASN 46 3HB ASN 46 14.477 -5.504 -6.163 382 HD21 ASN 46 1HD2 ASN 46 16.730 -5.545 -6.406 383 HD22 ASN 46 2HD2 ASN 46 17.503 -5.464 -7.950 384 H THR 47 H THR 47 13.624 -5.898 -9.997 385 HA THR 47 HA THR 47 13.257 -8.769 -9.401 386 HB THR 47 HB THR 47 11.227 -8.139 -10.566 387 HG1 THR 47 HG1 THR 47 12.279 -9.263 -12.780 388 HG21 THR 47 3HG2 THR 47 11.193 -7.132 -12.814 389 HG22 THR 47 1HG2 THR 47 12.955 -6.986 -12.785 390 HG23 THR 47 2HG2 THR 47 11.971 -6.050 -11.658 391 H ALA 48 H ALA 48 14.838 -10.064 -10.246 392 HA ALA 48 HA ALA 48 17.129 -8.724 -11.572 393 HB1 ALA 48 3HB ALA 48 18.536 -10.458 -10.527 394 HB2 ALA 48 1HB ALA 48 17.102 -11.214 -9.820 395 HB3 ALA 48 2HB ALA 48 17.590 -9.596 -9.313 396 H ASN 49 H ASN 49 15.303 -11.787 -11.503 397 HA ASN 49 HA ASN 49 15.687 -12.144 -14.387 398 HB2 ASN 49 2HB ASN 49 17.534 -13.447 -13.331 399 HB3 ASN 49 3HB ASN 49 16.365 -14.316 -12.347 400 HD21 ASN 49 1HD2 ASN 49 17.059 -16.304 -13.180 401 HD22 ASN 49 2HD2 ASN 49 16.679 -16.816 -14.788 402 HA PRO 50 HA PRO 50 11.339 -12.818 -13.314 403 HB2 PRO 50 2HB PRO 50 10.230 -12.587 -15.762 404 HB3 PRO 50 3HB PRO 50 11.020 -11.204 -14.992 405 HG2 PRO 50 2HG PRO 50 12.134 -13.081 -17.074 406 HG3 PRO 50 3HG PRO 50 12.187 -11.307 -17.029 407 HD2 PRO 50 2HD PRO 50 14.276 -12.894 -16.197 408 HD3 PRO 50 3HD PRO 50 13.971 -11.268 -15.550 409 H HIS 51 H HIS 51 13.153 -15.277 -13.913 410 HA HIS 51 HA HIS 51 11.457 -17.176 -15.221 411 HB2 HIS 51 2HB HIS 51 13.029 -18.878 -14.550 412 HB3 HIS 51 3HB HIS 51 13.960 -17.460 -15.011 413 HD1 HIS 51 HD1 HIS 51 14.304 -19.992 -12.756 414 HD2 HIS 51 HD2 HIS 51 14.232 -15.896 -12.218 415 HE1 HIS 51 HE1 HIS 51 15.516 -19.576 -10.613 416 HE2 HIS 51 HE2 HIS 51 15.281 -17.105 -10.232 417 H PHE 52 H PHE 52 11.790 -16.073 -11.889 418 HA PHE 52 HA PHE 52 9.462 -17.716 -11.072 419 HB2 PHE 52 2HB PHE 52 11.399 -16.052 -9.411 420 HB3 PHE 52 3HB PHE 52 9.945 -16.792 -8.756 421 HD1 PHE 52 HD2 PHE 52 10.077 -19.483 -10.148 422 HD2 PHE 52 HD1 PHE 52 13.110 -17.175 -8.192 423 HE1 PHE 52 HE2 PHE 52 11.314 -21.543 -9.616 424 HE2 PHE 52 HE1 PHE 52 14.332 -19.241 -7.665 425 HZ PHE 52 HZ PHE 52 13.438 -21.423 -8.376 426 H VAL 53 H VAL 53 8.074 -16.302 -9.418 427 HA VAL 53 HA VAL 53 6.318 -14.924 -9.278 428 HB VAL 53 HB VAL 53 8.101 -12.670 -10.350 429 HG11 VAL 53 1HG1 VAL 53 6.800 -11.214 -8.826 430 HG12 VAL 53 2HG1 VAL 53 5.855 -12.610 -8.299 431 HG13 VAL 53 3HG1 VAL 53 5.747 -12.059 -9.965 432 HG21 VAL 53 3HG2 VAL 53 8.919 -12.311 -8.033 433 HG22 VAL 53 1HG2 VAL 53 9.396 -13.900 -8.644 434 HG23 VAL 53 2HG2 VAL 53 8.056 -13.757 -7.508 435 H ARG 54 H ARG 54 6.323 -16.468 -11.534 436 HA ARG 54 HA ARG 54 5.560 -15.019 -13.889 437 HB2 ARG 54 2HB ARG 54 4.849 -17.889 -13.135 438 HB3 ARG 54 3HB ARG 54 4.756 -17.194 -14.747 439 HG2 ARG 54 2HG ARG 54 7.279 -17.735 -13.152 440 HG3 ARG 54 3HG ARG 54 6.725 -18.603 -14.583 441 HD2 ARG 54 2HD ARG 54 7.590 -15.694 -14.489 442 HD3 ARG 54 3HD ARG 54 8.544 -17.032 -15.119 443 HE ARG 54 HE ARG 54 6.225 -17.122 -16.570 444 HH11 ARG 54 1HH1 ARG 54 8.686 -14.661 -16.027 445 HH12 ARG 54 2HH1 ARG 54 8.504 -13.963 -17.606 446 HH21 ARG 54 1HH2 ARG 54 5.993 -16.168 -18.629 447 HH22 ARG 54 2HH2 ARG 54 6.973 -14.803 -19.061 448 H ARG 55 H ARG 55 3.760 -16.850 -11.428 449 HA ARG 55 HA ARG 55 1.235 -15.559 -11.817 450 HB2 ARG 55 2HB ARG 55 1.408 -17.736 -10.679 451 HB3 ARG 55 3HB ARG 55 2.421 -17.041 -9.425 452 HG2 ARG 55 2HG ARG 55 0.475 -15.615 -8.717 453 HG3 ARG 55 3HG ARG 55 -0.520 -16.451 -9.912 454 HD2 ARG 55 2HD ARG 55 0.890 -17.737 -7.552 455 HD3 ARG 55 3HD ARG 55 -0.830 -17.363 -7.640 456 HE ARG 55 HE ARG 55 -0.436 -18.963 -9.803 457 HH11 ARG 55 1HH1 ARG 55 0.341 -19.379 -6.393 458 HH12 ARG 55 2HH1 ARG 55 0.100 -21.093 -6.422 459 HH21 ARG 55 1HH2 ARG 55 -0.772 -21.226 -9.796 460 HH22 ARG 55 2HH2 ARG 55 -0.520 -22.131 -8.340 461 H ASN 56 H ASN 56 0.820 -13.460 -11.305 462 HA ASN 56 HA ASN 56 2.566 -11.820 -9.717 463 HB2 ASN 56 2HB ASN 56 -0.241 -11.250 -10.785 464 HB3 ASN 56 3HB ASN 56 0.802 -10.052 -10.028 465 HD21 ASN 56 1HD2 ASN 56 0.296 -12.033 -12.864 466 HD22 ASN 56 2HD2 ASN 56 1.408 -11.199 -13.894 467 H ILE 57 H ILE 57 2.607 -13.105 -7.800 468 HA ILE 57 HA ILE 57 0.223 -12.925 -6.059 469 HB ILE 57 HB ILE 57 0.886 -15.243 -6.395 470 HG12 ILE 57 2HG1 ILE 57 1.347 -15.939 -4.029 471 HG13 ILE 57 3HG1 ILE 57 1.706 -14.271 -3.614 472 HG21 ILE 57 1HG2 ILE 57 3.675 -14.483 -5.461 473 HG22 ILE 57 2HG2 ILE 57 3.206 -14.971 -7.093 474 HG23 ILE 57 3HG2 ILE 57 3.108 -16.127 -5.764 475 HD11 ILE 57 3HD1 ILE 57 -0.522 -14.890 -2.896 476 HD12 ILE 57 1HD1 ILE 57 -0.961 -15.344 -4.541 477 HD13 ILE 57 2HD1 ILE 57 -0.619 -13.654 -4.153 478 H ILE 58 H ILE 58 0.363 -11.740 -4.301 479 HA ILE 58 HA ILE 58 2.924 -10.447 -3.548 480 HB ILE 58 HB ILE 58 0.068 -9.372 -3.210 481 HG12 ILE 58 2HG1 ILE 58 2.233 -8.477 -5.191 482 HG13 ILE 58 3HG1 ILE 58 0.821 -9.436 -5.621 483 HG21 ILE 58 1HG2 ILE 58 1.178 -7.250 -2.552 484 HG22 ILE 58 2HG2 ILE 58 2.754 -8.025 -2.713 485 HG23 ILE 58 3HG2 ILE 58 1.634 -8.567 -1.464 486 HD11 ILE 58 3HD1 ILE 58 0.816 -6.600 -4.596 487 HD12 ILE 58 1HD1 ILE 58 -0.615 -7.553 -5.003 488 HD13 ILE 58 2HD1 ILE 58 0.546 -7.129 -6.256 489 H THR 59 H THR 59 3.417 -10.406 -1.329 490 HA THR 59 HA THR 59 1.665 -11.951 0.500 491 HB THR 59 HB THR 59 3.828 -12.659 1.662 492 HG1 THR 59 HG1 THR 59 4.943 -11.505 -0.688 493 HG21 THR 59 3HG2 THR 59 2.614 -14.247 0.220 494 HG22 THR 59 1HG2 THR 59 4.360 -14.478 0.084 495 HG23 THR 59 2HG2 THR 59 3.480 -13.635 -1.192 496 H ARG 60 H ARG 60 2.154 -11.490 2.822 497 HA ARG 60 HA ARG 60 1.937 -8.695 3.357 498 HB2 ARG 60 2HB ARG 60 0.721 -10.370 4.681 499 HB3 ARG 60 3HB ARG 60 2.234 -11.066 5.252 500 HG2 ARG 60 2HG ARG 60 2.739 -8.995 6.479 501 HG3 ARG 60 3HG ARG 60 1.268 -8.240 5.858 502 HD2 ARG 60 2HD ARG 60 0.957 -9.055 8.167 503 HD3 ARG 60 3HD ARG 60 -0.099 -9.919 7.037 504 HE ARG 60 HE ARG 60 2.093 -11.509 7.149 505 HH11 ARG 60 1HH1 ARG 60 0.124 -10.151 9.731 506 HH12 ARG 60 2HH1 ARG 60 0.392 -11.500 10.786 507 HH21 ARG 60 1HH2 ARG 60 2.355 -13.291 8.513 508 HH22 ARG 60 2HH2 ARG 60 1.618 -13.288 10.080 509 H GLY 61 H GLY 61 3.472 -7.285 3.991 510 HA2 GLY 61 2HA GLY 61 5.469 -6.431 4.823 511 HA3 GLY 61 3HA GLY 61 6.129 -8.055 4.942 512 H ALA 62 H ALA 62 4.827 -7.874 1.929 513 HA ALA 62 HA ALA 62 7.413 -7.500 0.638 514 HB1 ALA 62 3HB ALA 62 5.953 -9.381 -0.031 515 HB2 ALA 62 1HB ALA 62 6.264 -8.294 -1.388 516 HB3 ALA 62 2HB ALA 62 4.713 -8.233 -0.544 517 H VAL 63 H VAL 63 8.027 -5.704 -0.494 518 HA VAL 63 HA VAL 63 6.334 -3.352 -0.467 519 HB VAL 63 HB VAL 63 9.126 -3.623 -1.692 520 HG11 VAL 63 1HG1 VAL 63 9.215 -1.149 -1.477 521 HG12 VAL 63 2HG1 VAL 63 7.551 -1.145 -0.886 522 HG13 VAL 63 3HG1 VAL 63 7.901 -1.668 -2.534 523 HG21 VAL 63 3HG2 VAL 63 10.020 -2.649 0.376 524 HG22 VAL 63 1HG2 VAL 63 9.196 -4.171 0.711 525 HG23 VAL 63 2HG2 VAL 63 8.409 -2.639 1.094 526 H VAL 64 H VAL 64 4.838 -3.186 -1.982 527 HA VAL 64 HA VAL 64 5.398 -3.822 -4.817 528 HB VAL 64 HB VAL 64 2.986 -3.544 -5.205 529 HG11 VAL 64 1HG1 VAL 64 2.143 -5.504 -3.981 530 HG12 VAL 64 2HG1 VAL 64 3.510 -5.414 -2.868 531 HG13 VAL 64 3HG1 VAL 64 3.779 -5.778 -4.574 532 HG21 VAL 64 3HG2 VAL 64 1.375 -3.201 -3.343 533 HG22 VAL 64 1HG2 VAL 64 2.447 -1.810 -3.530 534 HG23 VAL 64 2HG2 VAL 64 2.715 -2.963 -2.219 535 H GLU 65 H GLU 65 4.643 -2.118 -6.367 536 HA GLU 65 HA GLU 65 4.867 0.639 -5.280 537 HB2 GLU 65 2HB GLU 65 6.825 -0.182 -6.654 538 HB3 GLU 65 3HB GLU 65 5.733 -0.327 -8.033 539 HG2 GLU 65 2HG GLU 65 5.394 2.031 -8.143 540 HG3 GLU 65 3HG GLU 65 6.101 2.291 -6.544 541 H THR 66 H THR 66 3.347 2.099 -5.913 542 HA THR 66 HA THR 66 1.051 1.193 -7.551 543 HB THR 66 HB THR 66 -0.532 2.026 -5.865 544 HG1 THR 66 HG1 THR 66 1.553 2.484 -4.001 545 HG21 THR 66 3HG2 THR 66 0.154 -0.326 -5.528 546 HG22 THR 66 1HG2 THR 66 -0.186 0.459 -3.986 547 HG23 THR 66 2HG2 THR 66 1.485 0.196 -4.493 548 H ASN 67 H ASN 67 -0.566 3.227 -7.581 549 HA ASN 67 HA ASN 67 0.751 5.335 -8.956 550 HB2 ASN 67 2HB ASN 67 -2.123 5.110 -7.990 551 HB3 ASN 67 3HB ASN 67 -1.522 6.480 -8.922 552 HD21 ASN 67 1HD2 ASN 67 -3.612 4.793 -9.745 553 HD22 ASN 67 2HD2 ASN 67 -3.112 3.969 -11.174 554 H LEU 68 H LEU 68 -0.065 4.906 -5.577 555 HA LEU 68 HA LEU 68 0.367 7.726 -4.932 556 HB2 LEU 68 2HB LEU 68 -0.062 5.311 -3.141 557 HB3 LEU 68 3HB LEU 68 0.098 6.960 -2.563 558 HG LEU 68 HG LEU 68 -2.180 5.851 -4.256 559 HD11 LEU 68 1HD1 LEU 68 -2.216 6.952 -1.429 560 HD12 LEU 68 2HD1 LEU 68 -2.334 5.248 -1.872 561 HD13 LEU 68 3HD1 LEU 68 -3.613 6.367 -2.337 562 HD21 LEU 68 3HD2 LEU 68 -1.717 8.133 -5.023 563 HD22 LEU 68 1HD2 LEU 68 -1.769 8.728 -3.359 564 HD23 LEU 68 2HD2 LEU 68 -3.227 8.089 -4.119 565 H GLY 69 H GLY 69 2.066 4.619 -4.575 566 HA2 GLY 69 2HA GLY 69 4.620 5.376 -5.063 567 HA3 GLY 69 3HA GLY 69 4.425 5.810 -3.367 568 H ASN 70 H ASN 70 6.156 4.248 -2.942 569 HA ASN 70 HA ASN 70 5.647 1.423 -3.387 570 HB2 ASN 70 2HB ASN 70 7.798 2.842 -1.737 571 HB3 ASN 70 3HB ASN 70 7.696 1.090 -1.940 572 HD21 ASN 70 1HD2 ASN 70 8.038 0.212 -4.058 573 HD22 ASN 70 2HD2 ASN 70 8.894 1.103 -5.269 574 H VAL 71 H VAL 71 4.487 0.149 -2.105 575 HA VAL 71 HA VAL 71 3.677 1.015 0.620 576 HB VAL 71 HB VAL 71 2.008 -0.517 -1.458 577 HG11 VAL 71 1HG1 VAL 71 1.355 -1.050 0.849 578 HG12 VAL 71 2HG1 VAL 71 0.091 -0.121 0.040 579 HG13 VAL 71 3HG1 VAL 71 1.159 0.665 1.205 580 HG21 VAL 71 3HG2 VAL 71 0.663 1.546 -1.730 581 HG22 VAL 71 1HG2 VAL 71 2.339 1.781 -2.227 582 HG23 VAL 71 2HG2 VAL 71 1.782 2.418 -0.679 583 H ARG 72 H ARG 72 3.668 -0.624 2.199 584 HA ARG 72 HA ARG 72 4.400 -3.386 1.362 585 HB2 ARG 72 2HB ARG 72 5.049 -1.838 3.846 586 HB3 ARG 72 3HB ARG 72 4.679 -3.550 4.068 587 HG2 ARG 72 2HG ARG 72 6.445 -4.047 2.303 588 HG3 ARG 72 3HG ARG 72 6.896 -2.350 2.402 589 HD2 ARG 72 2HD ARG 72 7.436 -2.618 4.796 590 HD3 ARG 72 3HD ARG 72 6.930 -4.301 4.711 591 HE ARG 72 HE ARG 72 8.795 -4.746 3.233 592 HH11 ARG 72 1HH1 ARG 72 8.965 -1.691 4.948 593 HH12 ARG 72 2HH1 ARG 72 10.694 -1.614 4.899 594 HH21 ARG 72 1HH2 ARG 72 11.044 -4.625 3.166 595 HH22 ARG 72 2HH2 ARG 72 11.886 -3.286 3.869 596 H VAL 73 H VAL 73 3.073 -5.008 1.814 597 HA VAL 73 HA VAL 73 0.313 -4.427 2.411 598 HB VAL 73 HB VAL 73 1.726 -7.109 1.978 599 HG11 VAL 73 1HG1 VAL 73 -1.244 -6.439 1.909 600 HG12 VAL 73 2HG1 VAL 73 -0.417 -7.402 3.133 601 HG13 VAL 73 3HG1 VAL 73 -0.532 -7.998 1.478 602 HG21 VAL 73 3HG2 VAL 73 0.851 -6.951 -0.344 603 HG22 VAL 73 1HG2 VAL 73 1.968 -5.637 0.029 604 HG23 VAL 73 2HG2 VAL 73 0.229 -5.335 -0.000 605 H THR 74 H THR 74 -0.518 -4.348 4.417 606 HA THR 74 HA THR 74 0.941 -5.481 6.721 607 HB THR 74 HB THR 74 -0.628 -4.029 8.082 608 HG1 THR 74 HG1 THR 74 -1.634 -2.305 6.673 609 HG21 THR 74 3HG2 THR 74 1.630 -3.229 7.504 610 HG22 THR 74 1HG2 THR 74 0.467 -1.895 7.524 611 HG23 THR 74 2HG2 THR 74 1.020 -2.563 5.988 612 H SER 75 H SER 75 -1.879 -5.863 4.792 613 HA SER 75 HA SER 75 -3.201 -7.714 6.648 614 HB2 SER 75 2HB SER 75 -4.986 -7.789 4.944 615 HB3 SER 75 3HB SER 75 -4.583 -6.110 5.306 616 HG SER 75 HG SER 75 -3.033 -6.495 3.400 617 H ARG 76 H ARG 76 -4.143 -9.693 5.186 618 HA ARG 76 HA ARG 76 -1.895 -10.931 3.695 619 HB2 ARG 76 2HB ARG 76 -4.142 -12.345 5.193 620 HB3 ARG 76 3HB ARG 76 -2.748 -13.106 4.433 621 HG2 ARG 76 2HG ARG 76 -1.253 -12.038 6.087 622 HG3 ARG 76 3HG ARG 76 -2.636 -11.226 6.819 623 HD2 ARG 76 2HD ARG 76 -3.604 -13.479 7.338 624 HD3 ARG 76 3HD ARG 76 -2.097 -14.206 6.771 625 HE ARG 76 HE ARG 76 -1.832 -12.176 8.834 626 HH11 ARG 76 1HH1 ARG 76 -1.982 -15.623 8.152 627 HH12 ARG 76 2HH1 ARG 76 -1.385 -16.076 9.712 628 HH21 ARG 76 1HH2 ARG 76 -1.075 -12.817 10.904 629 HH22 ARG 76 2HH2 ARG 76 -0.852 -14.498 11.262 630 HA PRO 77 HA PRO 77 -4.840 -9.550 0.537 631 HB2 PRO 77 2HB PRO 77 -3.484 -10.576 -1.685 632 HB3 PRO 77 3HB PRO 77 -3.107 -9.046 -0.887 633 HG2 PRO 77 2HG PRO 77 -1.807 -11.739 -0.503 634 HG3 PRO 77 3HG PRO 77 -1.049 -10.137 -0.665 635 HD2 PRO 77 2HD PRO 77 -1.324 -11.275 1.750 636 HD3 PRO 77 3HD PRO 77 -1.583 -9.528 1.545 637 H GLY 78 H GLY 78 -6.495 -10.382 -0.790 638 HA2 GLY 78 2HA GLY 78 -7.663 -11.973 -2.036 639 HA3 GLY 78 3HA GLY 78 -6.639 -13.243 -1.389 640 H GLN 79 H GLN 79 -7.009 -12.470 1.418 641 HA GLN 79 HA GLN 79 -9.252 -14.046 2.071 642 HB2 GLN 79 2HB GLN 79 -7.816 -12.030 3.849 643 HB3 GLN 79 3HB GLN 79 -8.878 -13.317 4.413 644 HG2 GLN 79 2HG GLN 79 -7.272 -15.006 3.552 645 HG3 GLN 79 3HG GLN 79 -6.210 -13.702 3.017 646 HE21 GLN 79 1HE2 GLN 79 -5.603 -15.822 4.900 647 HE22 GLN 79 2HE2 GLN 79 -5.186 -15.062 6.396 648 H ASP 80 H ASP 80 -8.758 -10.556 2.521 649 HA ASP 80 HA ASP 80 -11.649 -10.055 2.724 650 HB2 ASP 80 2HB ASP 80 -9.212 -8.245 3.089 651 HB3 ASP 80 3HB ASP 80 -10.882 -7.692 3.249 652 H GLY 81 H GLY 81 -10.636 -10.982 0.161 653 HA2 GLY 81 2HA GLY 81 -10.750 -10.585 -2.064 654 HA3 GLY 81 3HA GLY 81 -11.721 -9.165 -1.693 655 H VAL 82 H VAL 82 -10.541 -7.223 -1.072 656 HA VAL 82 HA VAL 82 -8.422 -6.557 -2.870 657 HB VAL 82 HB VAL 82 -10.344 -5.045 -2.178 658 HG11 VAL 82 1HG1 VAL 82 -8.826 -4.761 0.437 659 HG12 VAL 82 2HG1 VAL 82 -10.399 -5.535 0.216 660 HG13 VAL 82 3HG1 VAL 82 -10.225 -3.800 -0.057 661 HG21 VAL 82 3HG2 VAL 82 -7.582 -3.849 -1.739 662 HG22 VAL 82 1HG2 VAL 82 -9.051 -2.948 -2.114 663 HG23 VAL 82 2HG2 VAL 82 -8.381 -4.068 -3.298 664 H ILE 83 H ILE 83 -6.428 -5.462 -2.086 665 HA ILE 83 HA ILE 83 -5.163 -6.809 0.195 666 HB ILE 83 HB ILE 83 -3.860 -4.915 -1.838 667 HG12 ILE 83 2HG1 ILE 83 -4.158 -7.948 -2.027 668 HG13 ILE 83 3HG1 ILE 83 -4.903 -6.770 -3.095 669 HG21 ILE 83 1HG2 ILE 83 -1.771 -6.054 -1.181 670 HG22 ILE 83 2HG2 ILE 83 -2.666 -7.059 -0.039 671 HG23 ILE 83 3HG2 ILE 83 -2.563 -5.315 0.211 672 HD11 ILE 83 3HD1 ILE 83 -3.027 -7.837 -4.148 673 HD12 ILE 83 1HD1 ILE 83 -1.958 -7.326 -2.842 674 HD13 ILE 83 2HD1 ILE 83 -2.687 -6.124 -3.911 675 H ASN 84 H ASN 84 -4.350 -5.584 1.965 676 HA ASN 84 HA ASN 84 -4.771 -2.634 1.980 677 HB2 ASN 84 2HB ASN 84 -5.056 -4.540 4.358 678 HB3 ASN 84 3HB ASN 84 -4.983 -2.791 4.507 679 HD21 ASN 84 1HD2 ASN 84 -6.811 -4.942 2.283 680 HD22 ASN 84 2HD2 ASN 84 -8.354 -4.308 2.702 681 H GLY 85 H GLY 85 -3.131 -1.412 2.995 682 HA2 GLY 85 2HA GLY 85 -0.734 -2.602 4.054 683 HA3 GLY 85 3HA GLY 85 -0.534 -2.047 2.393 684 H VAL 86 H VAL 86 1.150 -0.814 3.831 685 HA VAL 86 HA VAL 86 0.026 1.828 4.539 686 HB VAL 86 HB VAL 86 1.986 2.133 6.119 687 HG11 VAL 86 1HG1 VAL 86 1.020 0.835 7.970 688 HG12 VAL 86 2HG1 VAL 86 0.099 -0.139 6.823 689 HG13 VAL 86 3HG1 VAL 86 -0.241 1.584 6.990 690 HG21 VAL 86 3HG2 VAL 86 3.213 0.130 6.924 691 HG22 VAL 86 1HG2 VAL 86 3.502 0.405 5.201 692 HG23 VAL 86 2HG2 VAL 86 2.391 -0.865 5.720 693 H LEU 87 H LEU 87 1.017 3.609 3.689 694 HA LEU 87 HA LEU 87 2.704 3.286 1.400 695 HB2 LEU 87 2HB LEU 87 0.890 5.015 1.639 696 HB3 LEU 87 3HB LEU 87 1.882 5.848 2.819 697 HG LEU 87 HG LEU 87 3.550 6.396 1.105 698 HD11 LEU 87 1HD1 LEU 87 1.866 4.788 -0.844 699 HD12 LEU 87 2HD1 LEU 87 3.482 4.372 -0.269 700 HD13 LEU 87 3HD1 LEU 87 3.247 5.797 -1.279 701 HD21 LEU 87 3HD2 LEU 87 1.625 7.922 1.303 702 HD22 LEU 87 1HD2 LEU 87 0.755 6.992 0.080 703 HD23 LEU 87 2HD2 LEU 87 2.226 7.866 -0.352 704 H ILE 88 H ILE 88 4.818 2.930 1.605 705 HA ILE 88 HA ILE 88 6.401 4.278 3.722 706 HB ILE 88 HB ILE 88 8.044 2.443 3.510 707 HG12 ILE 88 2HG1 ILE 88 6.096 1.193 1.506 708 HG13 ILE 88 3HG1 ILE 88 7.668 1.873 1.109 709 HG21 ILE 88 1HG2 ILE 88 5.224 1.382 3.977 710 HG22 ILE 88 2HG2 ILE 88 6.236 2.189 5.180 711 HG23 ILE 88 3HG2 ILE 88 6.720 0.620 4.536 712 HD11 ILE 88 3HD1 ILE 88 7.737 -0.529 1.162 713 HD12 ILE 88 1HD1 ILE 88 7.179 -0.536 2.836 714 HD13 ILE 88 2HD1 ILE 88 8.754 0.151 2.432 715 H ARG 89 H ARG 89 8.873 4.166 2.807 716 HA ARG 89 HA ARG 89 8.955 5.392 0.126 717 HB2 ARG 89 2HB ARG 89 10.233 6.564 2.641 718 HB3 ARG 89 3HB ARG 89 10.511 7.159 1.006 719 HG2 ARG 89 2HG ARG 89 8.197 7.884 0.818 720 HG3 ARG 89 3HG ARG 89 7.793 7.163 2.374 721 HD2 ARG 89 2HD ARG 89 9.378 8.757 3.467 722 HD3 ARG 89 3HD ARG 89 9.660 9.503 1.891 723 HE ARG 89 HE ARG 89 6.877 9.445 2.535 724 HH11 ARG 89 1HH1 ARG 89 9.821 11.252 3.171 725 HH12 ARG 89 2HH1 ARG 89 8.979 12.699 3.613 726 HH21 ARG 89 1HH2 ARG 89 5.795 11.377 3.139 727 HH22 ARG 89 2HH2 ARG 89 6.714 12.766 3.620 728 H GLU 90 H GLU 90 10.043 3.741 -0.854 729 HA GLU 90 HA GLU 90 12.692 2.955 0.245 730 HB2 GLU 90 2HB GLU 90 10.901 1.277 -1.583 731 HB3 GLU 90 3HB GLU 90 12.455 0.787 -0.929 732 HG2 GLU 90 2HG GLU 90 9.909 1.241 0.627 733 HG3 GLU 90 3HG GLU 90 10.636 -0.318 0.253 734 H LEU 91 H LEU 91 10.895 2.980 -2.822 735 HA LEU 91 HA LEU 91 13.296 3.927 -4.293 736 HB2 LEU 91 2HB LEU 91 11.178 1.971 -5.281 737 HB3 LEU 91 3HB LEU 91 12.612 2.483 -6.157 738 HG LEU 91 HG LEU 91 12.595 0.769 -3.637 739 HD11 LEU 91 1HD1 LEU 91 11.775 -0.464 -5.570 740 HD12 LEU 91 2HD1 LEU 91 13.369 -1.046 -5.091 741 HD13 LEU 91 3HD1 LEU 91 13.203 0.005 -6.498 742 HD21 LEU 91 3HD2 LEU 91 14.958 1.623 -5.352 743 HD22 LEU 91 1HD2 LEU 91 15.014 0.477 -4.010 744 HD23 LEU 91 2HD2 LEU 91 14.623 2.166 -3.706 745 H GLU 92 H GLU 92 11.054 5.401 -3.131 746 HA GLU 92 HA GLU 92 9.038 6.025 -5.059 747 HB2 GLU 92 2HB GLU 92 8.106 7.403 -3.352 748 HB3 GLU 92 3HB GLU 92 8.866 6.088 -2.485 749 HG2 GLU 92 2HG GLU 92 9.765 8.955 -2.706 750 HG3 GLU 92 3HG GLU 92 9.317 8.069 -1.252 751 H HIS 93 H HIS 93 8.585 8.608 -5.347 752 HA HIS 93 HA HIS 93 10.563 9.806 -6.926 753 HB2 HIS 93 2HB HIS 93 9.281 11.918 -6.691 754 HB3 HIS 93 3HB HIS 93 8.223 10.548 -7.014 755 HD1 HIS 93 HD1 HIS 93 6.964 9.577 -4.758 756 HD2 HIS 93 HD2 HIS 93 8.482 13.423 -4.526 757 HE1 HIS 93 HE1 HIS 93 5.888 10.606 -2.750 758 HE2 HIS 93 HE2 HIS 93 6.906 12.890 -2.574 759 H HIS 94 H HIS 94 12.561 10.438 -6.292 760 HA HIS 94 HA HIS 94 13.286 10.358 -3.510 761 HB2 HIS 94 2HB HIS 94 15.025 10.886 -5.942 762 HB3 HIS 94 3HB HIS 94 15.607 10.523 -4.321 763 HD1 HIS 94 HD1 HIS 94 15.291 8.058 -3.485 764 HD2 HIS 94 HD2 HIS 94 14.221 8.654 -7.445 765 HE1 HIS 94 HE1 HIS 94 15.050 5.771 -4.471 766 HE2 HIS 94 HE2 HIS 94 14.229 6.165 -6.804 767 H HIS 95 H HIS 95 13.769 11.979 -2.170 768 HA HIS 95 HA HIS 95 13.025 14.679 -2.940 769 HB2 HIS 95 2HB HIS 95 12.123 13.666 -0.877 770 HB3 HIS 95 3HB HIS 95 13.750 13.464 -0.244 771 HD1 HIS 95 HD1 HIS 95 14.580 15.322 1.229 772 HD2 HIS 95 HD2 HIS 95 11.391 16.531 -1.147 773 HE1 HIS 95 HE1 HIS 95 13.986 17.625 2.009 774 HE2 HIS 95 HE2 HIS 95 12.102 18.355 0.529 775 H HIS 96 H HIS 96 14.927 14.826 -4.372 776 HA HIS 96 HA HIS 96 16.791 16.684 -3.352 777 HB2 HIS 96 2HB HIS 96 18.928 15.524 -3.683 778 HB3 HIS 96 3HB HIS 96 17.975 14.676 -2.473 779 HD1 HIS 96 HD1 HIS 96 19.931 14.086 -5.420 780 HD2 HIS 96 HD2 HIS 96 16.648 12.261 -3.660 781 HE1 HIS 96 HE1 HIS 96 19.824 11.798 -6.414 782 HE2 HIS 96 HE2 HIS 96 17.979 10.650 -5.161 783 H HIS 97 H HIS 97 17.822 17.817 -4.994 784 HA HIS 97 HA HIS 97 16.714 17.745 -7.600 785 HB2 HIS 97 2HB HIS 97 17.588 19.813 -6.535 786 HB3 HIS 97 3HB HIS 97 19.228 19.181 -6.617 787 HD1 HIS 97 HD1 HIS 97 16.502 20.615 -8.772 788 HD2 HIS 97 HD2 HIS 97 20.466 19.422 -9.112 789 HE1 HIS 97 HE1 HIS 97 17.282 21.470 -10.990 790 HE2 HIS 97 HE2 HIS 97 19.715 20.835 -11.135 791 H HIS 98 H HIS 98 20.091 17.087 -6.547 792 HA HIS 98 HA HIS 98 20.338 14.818 -8.281 793 HB2 HIS 98 2HB HIS 98 20.632 16.698 -9.947 794 HB3 HIS 98 3HB HIS 98 21.991 17.294 -9.000 795 HD1 HIS 98 HD1 HIS 98 24.182 15.762 -8.988 796 HD2 HIS 98 HD2 HIS 98 21.240 14.577 -11.668 797 HE1 HIS 98 HE1 HIS 98 25.295 14.147 -10.546 798 HE2 HIS 98 HE2 HIS 98 23.536 13.569 -12.241 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -40.767 -30.901 -10.696 2 H2 GLY 1 2H GLY 1 -40.493 -31.685 -9.228 3 H3 GLY 1 3H GLY 1 -39.514 -32.033 -10.560 4 HA2 GLY 1 2HA GLY 1 -38.353 -30.623 -9.002 5 HA3 GLY 1 3HA GLY 1 -38.609 -29.824 -10.548 6 H ASP 2 H ASP 2 -38.158 -27.926 -9.141 7 HA ASP 2 HA ASP 2 -40.624 -26.859 -7.882 8 HB2 ASP 2 2HB ASP 2 -37.711 -26.445 -7.055 9 HB3 ASP 2 3HB ASP 2 -39.028 -25.438 -6.465 10 H ARG 3 H ARG 3 -41.403 -25.156 -8.987 11 HA ARG 3 HA ARG 3 -39.602 -23.393 -10.513 12 HB2 ARG 3 2HB ARG 3 -42.636 -23.374 -10.259 13 HB3 ARG 3 3HB ARG 3 -41.710 -22.264 -11.252 14 HG2 ARG 3 2HG ARG 3 -41.881 -25.266 -11.663 15 HG3 ARG 3 3HG ARG 3 -42.765 -24.049 -12.581 16 HD2 ARG 3 2HD ARG 3 -40.935 -24.683 -13.962 17 HD3 ARG 3 3HD ARG 3 -40.480 -23.118 -13.289 18 HE ARG 3 HE ARG 3 -39.522 -25.474 -11.868 19 HH11 ARG 3 1HH1 ARG 3 -38.689 -22.965 -14.192 20 HH12 ARG 3 2HH1 ARG 3 -36.982 -23.249 -14.066 21 HH21 ARG 3 1HH2 ARG 3 -37.294 -25.824 -11.716 22 HH22 ARG 3 2HH2 ARG 3 -36.192 -24.879 -12.669 23 H ARG 4 H ARG 4 -38.600 -23.067 -8.385 24 HA ARG 4 HA ARG 4 -39.915 -21.778 -6.205 25 HB2 ARG 4 2HB ARG 4 -37.969 -23.285 -5.957 26 HB3 ARG 4 3HB ARG 4 -36.949 -22.147 -6.823 27 HG2 ARG 4 2HG ARG 4 -37.230 -20.503 -4.994 28 HG3 ARG 4 3HG ARG 4 -38.269 -21.638 -4.133 29 HD2 ARG 4 2HD ARG 4 -35.313 -21.925 -4.737 30 HD3 ARG 4 3HD ARG 4 -36.076 -21.794 -3.149 31 HE ARG 4 HE ARG 4 -35.917 -24.152 -4.863 32 HH11 ARG 4 1HH1 ARG 4 -37.309 -22.788 -1.935 33 HH12 ARG 4 2HH1 ARG 4 -37.766 -24.328 -1.282 34 HH21 ARG 4 1HH2 ARG 4 -36.524 -26.156 -4.002 35 HH22 ARG 4 2HH2 ARG 4 -37.311 -26.243 -2.459 36 H VAL 5 H VAL 5 -40.587 -19.736 -6.307 37 HA VAL 5 HA VAL 5 -38.965 -17.637 -7.643 38 HB VAL 5 HB VAL 5 -41.920 -17.443 -6.881 39 HG11 VAL 5 1HG1 VAL 5 -40.229 -15.715 -8.731 40 HG12 VAL 5 2HG1 VAL 5 -40.814 -15.274 -7.126 41 HG13 VAL 5 3HG1 VAL 5 -41.961 -15.518 -8.444 42 HG21 VAL 5 3HG2 VAL 5 -42.496 -17.822 -9.252 43 HG22 VAL 5 1HG2 VAL 5 -41.699 -19.233 -8.553 44 HG23 VAL 5 2HG2 VAL 5 -40.801 -18.149 -9.617 45 H ARG 6 H ARG 6 -37.582 -17.277 -5.851 46 HA ARG 6 HA ARG 6 -38.653 -16.634 -3.237 47 HB2 ARG 6 2HB ARG 6 -35.818 -16.373 -4.326 48 HB3 ARG 6 3HB ARG 6 -36.285 -16.036 -2.661 49 HG2 ARG 6 2HG ARG 6 -37.073 -18.432 -2.478 50 HG3 ARG 6 3HG ARG 6 -36.367 -18.721 -4.072 51 HD2 ARG 6 2HD ARG 6 -34.815 -19.428 -2.321 52 HD3 ARG 6 3HD ARG 6 -34.146 -18.040 -3.187 53 HE ARG 6 HE ARG 6 -35.642 -17.404 -0.776 54 HH11 ARG 6 1HH1 ARG 6 -32.455 -17.974 -2.122 55 HH12 ARG 6 2HH1 ARG 6 -31.615 -17.303 -0.762 56 HH21 ARG 6 1HH2 ARG 6 -34.525 -16.474 0.987 57 HH22 ARG 6 2HH2 ARG 6 -32.789 -16.435 0.993 58 H LEU 7 H LEU 7 -39.724 -14.772 -2.998 59 HA LEU 7 HA LEU 7 -39.133 -12.365 -4.509 60 HB2 LEU 7 2HB LEU 7 -41.034 -12.789 -2.168 61 HB3 LEU 7 3HB LEU 7 -40.974 -11.361 -3.189 62 HG LEU 7 HG LEU 7 -41.788 -14.150 -4.112 63 HD11 LEU 7 1HD1 LEU 7 -44.058 -13.221 -4.365 64 HD12 LEU 7 2HD1 LEU 7 -43.510 -11.692 -3.675 65 HD13 LEU 7 3HD1 LEU 7 -43.512 -13.152 -2.686 66 HD21 LEU 7 3HD2 LEU 7 -41.765 -11.548 -5.672 67 HD22 LEU 7 1HD2 LEU 7 -42.419 -13.085 -6.238 68 HD23 LEU 7 2HD2 LEU 7 -40.693 -12.928 -5.929 69 H ILE 8 H ILE 8 -36.945 -12.009 -3.903 70 HA ILE 8 HA ILE 8 -36.312 -11.323 -1.110 71 HB ILE 8 HB ILE 8 -34.560 -11.321 -3.619 72 HG12 ILE 8 2HG1 ILE 8 -35.288 -13.611 -3.030 73 HG13 ILE 8 3HG1 ILE 8 -33.566 -13.423 -2.719 74 HG21 ILE 8 1HG2 ILE 8 -33.733 -10.966 -0.710 75 HG22 ILE 8 2HG2 ILE 8 -33.641 -9.753 -1.988 76 HG23 ILE 8 3HG2 ILE 8 -32.617 -11.184 -2.059 77 HD11 ILE 8 3HD1 ILE 8 -34.665 -14.714 -0.969 78 HD12 ILE 8 1HD1 ILE 8 -35.749 -13.367 -0.627 79 HD13 ILE 8 2HD1 ILE 8 -34.019 -13.207 -0.322 80 H ARG 9 H ARG 9 -36.855 -9.279 -0.468 81 HA ARG 9 HA ARG 9 -37.215 -7.148 -2.474 82 HB2 ARG 9 2HB ARG 9 -38.134 -7.339 0.418 83 HB3 ARG 9 3HB ARG 9 -38.345 -5.900 -0.571 84 HG2 ARG 9 2HG ARG 9 -40.434 -6.965 -0.652 85 HG3 ARG 9 3HG ARG 9 -39.681 -7.404 -2.183 86 HD2 ARG 9 2HD ARG 9 -40.806 -9.332 -1.201 87 HD3 ARG 9 3HD ARG 9 -39.060 -9.604 -1.242 88 HE ARG 9 HE ARG 9 -39.286 -8.704 1.222 89 HH11 ARG 9 1HH1 ARG 9 -41.452 -10.980 -0.368 90 HH12 ARG 9 2HH1 ARG 9 -41.887 -11.760 1.118 91 HH21 ARG 9 1HH2 ARG 9 -39.848 -9.766 3.124 92 HH22 ARG 9 2HH2 ARG 9 -40.998 -11.063 3.088 93 H THR 10 H THR 10 -36.719 -4.890 -1.673 94 HA THR 10 HA THR 10 -33.887 -4.739 -0.921 95 HB THR 10 HB THR 10 -35.771 -2.659 -2.143 96 HG1 THR 10 HG1 THR 10 -35.010 -4.675 -3.361 97 HG21 THR 10 3HG2 THR 10 -33.717 -1.406 -2.718 98 HG22 THR 10 1HG2 THR 10 -32.745 -2.585 -1.825 99 HG23 THR 10 2HG2 THR 10 -33.893 -1.555 -0.973 100 H ARG 11 H ARG 11 -33.424 -4.252 1.158 101 HA ARG 11 HA ARG 11 -35.142 -2.419 2.721 102 HB2 ARG 11 2HB ARG 11 -34.871 -3.787 4.739 103 HB3 ARG 11 3HB ARG 11 -35.650 -4.715 3.478 104 HG2 ARG 11 2HG ARG 11 -32.687 -4.981 4.092 105 HG3 ARG 11 3HG ARG 11 -33.918 -5.953 4.893 106 HD2 ARG 11 2HD ARG 11 -34.579 -6.950 2.752 107 HD3 ARG 11 3HD ARG 11 -33.460 -5.886 1.889 108 HE ARG 11 HE ARG 11 -31.869 -7.231 3.665 109 HH11 ARG 11 1HH1 ARG 11 -34.072 -8.287 1.131 110 HH12 ARG 11 2HH1 ARG 11 -33.179 -9.736 0.802 111 HH21 ARG 11 1HH2 ARG 11 -30.706 -9.118 3.193 112 HH22 ARG 11 2HH2 ARG 11 -31.263 -10.193 1.950 113 H GLY 12 H GLY 12 -31.983 -3.730 2.058 114 HA2 GLY 12 2HA GLY 12 -30.266 -1.754 2.429 115 HA3 GLY 12 3HA GLY 12 -30.598 -2.178 4.110 116 H GLY 13 H GLY 13 -28.818 -2.967 1.323 117 HA2 GLY 13 2HA GLY 13 -27.564 -5.294 2.567 118 HA3 GLY 13 3HA GLY 13 -28.467 -5.601 1.086 119 H ASN 14 H ASN 14 -25.834 -6.200 1.158 120 HA ASN 14 HA ASN 14 -24.572 -4.242 -0.634 121 HB2 ASN 14 2HB ASN 14 -23.847 -3.713 1.744 122 HB3 ASN 14 3HB ASN 14 -23.132 -5.315 1.844 123 HD21 ASN 14 1HD2 ASN 14 -21.286 -5.763 0.508 124 HD22 ASN 14 2HD2 ASN 14 -20.289 -4.476 -0.076 125 H THR 15 H THR 15 -24.849 -5.751 -2.278 126 HA THR 15 HA THR 15 -23.070 -8.131 -2.209 127 HB THR 15 HB THR 15 -24.531 -8.943 -4.181 128 HG1 THR 15 HG1 THR 15 -25.543 -6.769 -4.395 129 HG21 THR 15 3HG2 THR 15 -25.900 -8.702 -1.482 130 HG22 THR 15 1HG2 THR 15 -24.763 -9.959 -1.950 131 HG23 THR 15 2HG2 THR 15 -26.326 -9.841 -2.764 132 H LYS 16 H LYS 16 -21.259 -6.910 -2.799 133 HA LYS 16 HA LYS 16 -21.193 -5.910 -5.596 134 HB2 LYS 16 2HB LYS 16 -19.591 -4.937 -3.178 135 HB3 LYS 16 3HB LYS 16 -19.121 -4.573 -4.834 136 HG2 LYS 16 2HG LYS 16 -20.251 -2.653 -4.077 137 HG3 LYS 16 3HG LYS 16 -21.397 -3.481 -5.127 138 HD2 LYS 16 2HD LYS 16 -22.544 -4.408 -3.131 139 HD3 LYS 16 3HD LYS 16 -21.404 -3.556 -2.086 140 HE2 LYS 16 2HE LYS 16 -23.383 -2.282 -4.000 141 HE3 LYS 16 3HE LYS 16 -23.517 -2.329 -2.245 142 HZ1 LYS 16 3HZ LYS 16 -21.462 -1.014 -2.131 143 HZ2 LYS 16 1HZ LYS 16 -22.706 -0.211 -2.947 144 HZ3 LYS 16 2HZ LYS 16 -21.445 -0.916 -3.816 145 H VAL 17 H VAL 17 -19.401 -6.473 -6.847 146 HA VAL 17 HA VAL 17 -17.772 -8.732 -6.009 147 HB VAL 17 HB VAL 17 -18.590 -8.620 -8.359 148 HG11 VAL 17 1HG1 VAL 17 -17.652 -6.999 -9.975 149 HG12 VAL 17 2HG1 VAL 17 -16.814 -6.173 -8.659 150 HG13 VAL 17 3HG1 VAL 17 -18.579 -6.194 -8.704 151 HG21 VAL 17 3HG2 VAL 17 -16.452 -9.159 -9.510 152 HG22 VAL 17 1HG2 VAL 17 -16.556 -9.915 -7.920 153 HG23 VAL 17 2HG2 VAL 17 -15.553 -8.482 -8.151 154 H ARG 18 H ARG 18 -15.538 -8.621 -5.645 155 HA ARG 18 HA ARG 18 -14.456 -6.108 -4.687 156 HB2 ARG 18 2HB ARG 18 -13.264 -8.916 -4.791 157 HB3 ARG 18 3HB ARG 18 -12.520 -7.545 -3.978 158 HG2 ARG 18 2HG ARG 18 -15.188 -8.794 -3.245 159 HG3 ARG 18 3HG ARG 18 -13.665 -9.050 -2.393 160 HD2 ARG 18 2HD ARG 18 -13.594 -6.607 -1.856 161 HD3 ARG 18 3HD ARG 18 -15.172 -6.419 -2.631 162 HE ARG 18 HE ARG 18 -15.784 -8.280 -0.877 163 HH11 ARG 18 1HH1 ARG 18 -13.845 -5.405 -0.303 164 HH12 ARG 18 2HH1 ARG 18 -14.238 -5.340 1.384 165 HH21 ARG 18 1HH2 ARG 18 -16.294 -8.162 1.342 166 HH22 ARG 18 2HH2 ARG 18 -15.623 -6.886 2.307 167 H LEU 19 H LEU 19 -11.801 -6.262 -5.271 168 HA LEU 19 HA LEU 19 -11.636 -5.222 -7.930 169 HB2 LEU 19 2HB LEU 19 -9.116 -5.048 -7.283 170 HB3 LEU 19 3HB LEU 19 -10.293 -4.058 -6.460 171 HG LEU 19 HG LEU 19 -10.213 -6.065 -4.648 172 HD11 LEU 19 1HD1 LEU 19 -7.432 -6.210 -5.819 173 HD12 LEU 19 2HD1 LEU 19 -8.648 -7.487 -5.847 174 HD13 LEU 19 3HD1 LEU 19 -7.969 -6.958 -4.310 175 HD21 LEU 19 3HD2 LEU 19 -9.766 -3.703 -4.172 176 HD22 LEU 19 1HD2 LEU 19 -8.114 -3.897 -4.759 177 HD23 LEU 19 2HD2 LEU 19 -8.650 -4.766 -3.321 178 H ALA 20 H ALA 20 -12.394 -7.091 -9.074 179 HA ALA 20 HA ALA 20 -10.710 -9.471 -9.270 180 HB1 ALA 20 3HB ALA 20 -13.157 -9.701 -9.126 181 HB2 ALA 20 1HB ALA 20 -12.542 -10.366 -10.640 182 HB3 ALA 20 2HB ALA 20 -13.341 -8.790 -10.625 183 H SER 21 H SER 21 -11.457 -6.590 -11.092 184 HA SER 21 HA SER 21 -10.475 -7.507 -13.635 185 HB2 SER 21 2HB SER 21 -11.081 -4.676 -12.700 186 HB3 SER 21 3HB SER 21 -10.886 -5.205 -14.374 187 HG SER 21 HG SER 21 -13.001 -5.617 -12.593 188 H ASP 22 H ASP 22 -9.253 -5.385 -11.050 189 HA ASP 22 HA ASP 22 -6.481 -5.969 -11.772 190 HB2 ASP 22 2HB ASP 22 -7.617 -3.132 -11.725 191 HB3 ASP 22 3HB ASP 22 -5.904 -3.441 -11.469 192 H THR 23 H THR 23 -5.341 -6.297 -9.964 193 HA THR 23 HA THR 23 -6.522 -6.200 -7.392 194 HB THR 23 HB THR 23 -3.562 -6.546 -8.055 195 HG1 THR 23 HG1 THR 23 -5.775 -8.260 -8.192 196 HG21 THR 23 3HG2 THR 23 -3.474 -7.780 -5.905 197 HG22 THR 23 1HG2 THR 23 -5.174 -7.395 -5.613 198 HG23 THR 23 2HG2 THR 23 -3.971 -6.108 -5.649 199 H ARG 24 H ARG 24 -6.780 -4.492 -6.150 200 HA ARG 24 HA ARG 24 -4.920 -2.181 -6.282 201 HB2 ARG 24 2HB ARG 24 -7.834 -2.240 -5.373 202 HB3 ARG 24 3HB ARG 24 -6.803 -0.817 -5.428 203 HG2 ARG 24 2HG ARG 24 -6.646 -1.034 -7.891 204 HG3 ARG 24 3HG ARG 24 -7.714 -2.438 -7.817 205 HD2 ARG 24 2HD ARG 24 -8.452 0.364 -6.911 206 HD3 ARG 24 3HD ARG 24 -8.897 -0.348 -8.459 207 HE ARG 24 HE ARG 24 -9.771 -1.922 -6.215 208 HH11 ARG 24 1HH1 ARG 24 -10.616 0.800 -8.264 209 HH12 ARG 24 2HH1 ARG 24 -12.302 0.725 -7.881 210 HH21 ARG 24 1HH2 ARG 24 -12.014 -1.999 -5.735 211 HH22 ARG 24 2HH2 ARG 24 -13.085 -0.837 -6.448 212 H ILE 25 H ILE 25 -4.922 -0.950 -4.163 213 HA ILE 25 HA ILE 25 -5.054 -2.631 -1.761 214 HB ILE 25 HB ILE 25 -2.770 -2.987 -2.624 215 HG12 ILE 25 2HG1 ILE 25 -2.612 -1.165 -0.175 216 HG13 ILE 25 3HG1 ILE 25 -3.161 -2.835 -0.116 217 HG21 ILE 25 1HG2 ILE 25 -1.121 -1.155 -2.832 218 HG22 ILE 25 2HG2 ILE 25 -2.375 0.027 -2.460 219 HG23 ILE 25 3HG2 ILE 25 -2.478 -0.925 -3.942 220 HD11 ILE 25 3HD1 ILE 25 -0.411 -1.914 -0.949 221 HD12 ILE 25 1HD1 ILE 25 -0.961 -3.593 -0.864 222 HD13 ILE 25 2HD1 ILE 25 -0.858 -2.618 0.605 223 H ASN 26 H ASN 26 -5.489 -1.429 0.100 224 HA ASN 26 HA ASN 26 -6.181 1.397 -0.307 225 HB2 ASN 26 2HB ASN 26 -6.721 -0.535 1.998 226 HB3 ASN 26 3HB ASN 26 -7.140 1.173 2.051 227 HD21 ASN 26 1HD2 ASN 26 -7.777 -1.864 0.398 228 HD22 ASN 26 2HD2 ASN 26 -9.336 -1.416 -0.199 229 H VAL 27 H VAL 27 -4.385 2.581 -0.221 230 HA VAL 27 HA VAL 27 -2.093 1.913 1.426 231 HB VAL 27 HB VAL 27 -2.548 4.268 -0.474 232 HG11 VAL 27 1HG1 VAL 27 0.041 3.171 0.685 233 HG12 VAL 27 2HG1 VAL 27 -0.723 4.710 1.089 234 HG13 VAL 27 3HG1 VAL 27 -0.081 4.447 -0.531 235 HG21 VAL 27 3HG2 VAL 27 -2.777 2.138 -1.667 236 HG22 VAL 27 1HG2 VAL 27 -1.214 1.598 -1.049 237 HG23 VAL 27 2HG2 VAL 27 -1.301 2.971 -2.157 238 H VAL 28 H VAL 28 -2.192 2.514 3.497 239 HA VAL 28 HA VAL 28 -3.568 4.971 4.354 240 HB VAL 28 HB VAL 28 -2.530 2.631 6.042 241 HG11 VAL 28 1HG1 VAL 28 -3.922 3.573 7.852 242 HG12 VAL 28 2HG1 VAL 28 -4.356 4.938 6.821 243 HG13 VAL 28 3HG1 VAL 28 -2.681 4.708 7.325 244 HG21 VAL 28 3HG2 VAL 28 -4.343 1.858 4.560 245 HG22 VAL 28 1HG2 VAL 28 -5.393 3.156 5.135 246 HG23 VAL 28 2HG2 VAL 28 -4.875 1.879 6.240 247 H ASP 29 H ASP 29 -2.196 6.653 4.448 248 HA ASP 29 HA ASP 29 0.608 6.541 4.516 249 HB2 ASP 29 2HB ASP 29 -0.828 8.488 3.733 250 HB3 ASP 29 3HB ASP 29 -1.137 8.876 5.420 251 HA PRO 30 HA PRO 30 0.778 5.302 8.856 252 HB2 PRO 30 2HB PRO 30 3.478 5.184 9.210 253 HB3 PRO 30 3HB PRO 30 2.613 4.019 8.199 254 HG2 PRO 30 2HG PRO 30 4.133 6.492 7.358 255 HG3 PRO 30 3HG PRO 30 4.212 4.850 6.676 256 HD2 PRO 30 2HD PRO 30 2.716 6.826 5.540 257 HD3 PRO 30 3HD PRO 30 2.225 5.117 5.477 258 H GLU 31 H GLU 31 2.016 8.317 7.717 259 HA GLU 31 HA GLU 31 2.800 9.307 10.367 260 HB2 GLU 31 2HB GLU 31 2.933 10.676 7.646 261 HB3 GLU 31 3HB GLU 31 3.718 11.217 9.127 262 HG2 GLU 31 2HG GLU 31 5.227 9.321 9.116 263 HG3 GLU 31 3HG GLU 31 4.350 8.570 7.782 264 H THR 32 H THR 32 0.608 10.255 7.704 265 HA THR 32 HA THR 32 -0.796 12.177 9.428 266 HB THR 32 HB THR 32 -1.872 12.918 7.257 267 HG1 THR 32 HG1 THR 32 0.050 11.382 5.871 268 HG21 THR 32 3HG2 THR 32 0.140 13.971 6.296 269 HG22 THR 32 1HG2 THR 32 1.172 12.855 7.195 270 HG23 THR 32 2HG2 THR 32 0.192 14.041 8.058 271 H GLY 33 H GLY 33 -1.351 9.112 7.763 272 HA2 GLY 33 2HA GLY 33 -2.919 7.511 8.601 273 HA3 GLY 33 3HA GLY 33 -3.925 8.813 9.203 274 H LYS 34 H LYS 34 -2.906 9.514 6.057 275 HA LYS 34 HA LYS 34 -5.545 9.593 5.053 276 HB2 LYS 34 2HB LYS 34 -2.931 9.686 3.500 277 HB3 LYS 34 3HB LYS 34 -4.501 10.193 2.881 278 HG2 LYS 34 2HG LYS 34 -4.595 11.977 4.587 279 HG3 LYS 34 3HG LYS 34 -3.030 11.467 5.206 280 HD2 LYS 34 2HD LYS 34 -3.452 12.458 2.360 281 HD3 LYS 34 3HD LYS 34 -2.994 13.509 3.693 282 HE2 LYS 34 2HE LYS 34 -0.998 12.958 2.459 283 HE3 LYS 34 3HE LYS 34 -0.921 12.113 4.002 284 HZ1 LYS 34 3HZ LYS 34 -1.574 10.086 2.878 285 HZ2 LYS 34 1HZ LYS 34 -0.205 10.738 2.140 286 HZ3 LYS 34 2HZ LYS 34 -1.719 10.902 1.407 287 H VAL 35 H VAL 35 -6.735 7.783 4.708 288 HA VAL 35 HA VAL 35 -5.602 5.360 3.486 289 HB VAL 35 HB VAL 35 -8.508 5.854 4.332 290 HG11 VAL 35 1HG1 VAL 35 -8.678 3.388 4.412 291 HG12 VAL 35 2HG1 VAL 35 -7.017 3.252 3.838 292 HG13 VAL 35 3HG1 VAL 35 -8.251 3.963 2.799 293 HG21 VAL 35 3HG2 VAL 35 -6.302 4.605 6.021 294 HG22 VAL 35 1HG2 VAL 35 -8.009 4.712 6.462 295 HG23 VAL 35 2HG2 VAL 35 -7.048 6.180 6.290 296 H GLU 36 H GLU 36 -5.513 5.249 1.292 297 HA GLU 36 HA GLU 36 -7.782 6.140 -0.343 298 HB2 GLU 36 2HB GLU 36 -6.193 8.066 -0.321 299 HB3 GLU 36 3HB GLU 36 -4.901 7.009 -0.874 300 HG2 GLU 36 2HG GLU 36 -5.757 8.353 -2.731 301 HG3 GLU 36 3HG GLU 36 -6.079 6.645 -3.011 302 H ILE 37 H ILE 37 -8.096 4.892 -2.158 303 HA ILE 37 HA ILE 37 -6.738 2.318 -2.256 304 HB ILE 37 HB ILE 37 -8.934 3.367 -4.112 305 HG12 ILE 37 2HG1 ILE 37 -9.288 1.761 -1.524 306 HG13 ILE 37 3HG1 ILE 37 -9.660 3.468 -1.704 307 HG21 ILE 37 1HG2 ILE 37 -8.064 0.510 -3.468 308 HG22 ILE 37 2HG2 ILE 37 -7.749 1.378 -4.971 309 HG23 ILE 37 3HG2 ILE 37 -9.402 0.961 -4.528 310 HD11 ILE 37 3HD1 ILE 37 -11.026 1.204 -3.140 311 HD12 ILE 37 1HD1 ILE 37 -11.403 2.916 -3.329 312 HD13 ILE 37 2HD1 ILE 37 -11.660 2.120 -1.776 313 H ALA 38 H ALA 38 -5.244 1.718 -3.788 314 HA ALA 38 HA ALA 38 -4.516 3.594 -5.954 315 HB1 ALA 38 3HB ALA 38 -2.575 2.067 -4.189 316 HB2 ALA 38 1HB ALA 38 -2.923 3.791 -4.079 317 HB3 ALA 38 2HB ALA 38 -2.148 3.144 -5.526 318 H GLU 39 H GLU 39 -3.357 2.645 -7.710 319 HA GLU 39 HA GLU 39 -4.246 -0.077 -8.397 320 HB2 GLU 39 2HB GLU 39 -2.821 1.950 -10.190 321 HB3 GLU 39 3HB GLU 39 -3.650 0.485 -10.699 322 HG2 GLU 39 2HG GLU 39 -4.904 3.019 -9.615 323 HG3 GLU 39 3HG GLU 39 -5.007 2.400 -11.262 324 H ILE 40 H ILE 40 -2.810 -1.755 -8.132 325 HA ILE 40 HA ILE 40 -0.042 -1.234 -7.457 326 HB ILE 40 HB ILE 40 -1.473 -3.900 -7.882 327 HG12 ILE 40 2HG1 ILE 40 -0.831 -2.390 -5.298 328 HG13 ILE 40 3HG1 ILE 40 -2.431 -2.568 -6.003 329 HG21 ILE 40 1HG2 ILE 40 1.254 -3.336 -6.634 330 HG22 ILE 40 2HG2 ILE 40 0.963 -4.159 -8.168 331 HG23 ILE 40 3HG2 ILE 40 0.451 -4.911 -6.658 332 HD11 ILE 40 3HD1 ILE 40 -2.121 -4.043 -4.118 333 HD12 ILE 40 1HD1 ILE 40 -0.733 -4.795 -4.904 334 HD13 ILE 40 2HD1 ILE 40 -2.343 -4.969 -5.601 335 H ARG 41 H ARG 41 1.334 -0.755 -8.988 336 HA ARG 41 HA ARG 41 1.041 -1.355 -11.788 337 HB2 ARG 41 2HB ARG 41 3.350 -0.124 -10.232 338 HB3 ARG 41 3HB ARG 41 3.262 -0.206 -11.989 339 HG2 ARG 41 2HG ARG 41 1.284 1.269 -11.967 340 HG3 ARG 41 3HG ARG 41 1.348 1.335 -10.201 341 HD2 ARG 41 2HD ARG 41 3.549 2.406 -10.293 342 HD3 ARG 41 3HD ARG 41 3.565 2.274 -12.056 343 HE ARG 41 HE ARG 41 1.284 3.685 -11.455 344 HH11 ARG 41 1HH1 ARG 41 4.704 4.171 -10.788 345 HH12 ARG 41 2HH1 ARG 41 4.601 5.897 -10.885 346 HH21 ARG 41 1HH2 ARG 41 1.187 5.951 -11.617 347 HH22 ARG 41 2HH2 ARG 41 2.608 6.902 -11.343 348 H ASN 42 H ASN 42 3.368 -2.253 -9.267 349 HA ASN 42 HA ASN 42 3.802 -4.915 -10.373 350 HB2 ASN 42 2HB ASN 42 5.474 -3.420 -11.591 351 HB3 ASN 42 3HB ASN 42 6.167 -2.989 -10.036 352 HD21 ASN 42 1HD2 ASN 42 8.191 -3.806 -10.766 353 HD22 ASN 42 2HD2 ASN 42 8.515 -5.501 -10.831 354 H VAL 43 H VAL 43 5.431 -6.078 -8.761 355 HA VAL 43 HA VAL 43 4.887 -5.155 -5.997 356 HB VAL 43 HB VAL 43 4.996 -7.514 -5.305 357 HG11 VAL 43 1HG1 VAL 43 3.119 -7.160 -7.675 358 HG12 VAL 43 2HG1 VAL 43 2.811 -6.645 -6.016 359 HG13 VAL 43 3HG1 VAL 43 2.947 -8.363 -6.389 360 HG21 VAL 43 3HG2 VAL 43 5.168 -9.374 -6.928 361 HG22 VAL 43 1HG2 VAL 43 6.635 -8.395 -6.928 362 HG23 VAL 43 2HG2 VAL 43 5.459 -8.222 -8.231 363 H VAL 44 H VAL 44 7.098 -4.243 -7.669 364 HA VAL 44 HA VAL 44 9.492 -5.635 -7.136 365 HB VAL 44 HB VAL 44 9.363 -4.116 -9.035 366 HG11 VAL 44 1HG1 VAL 44 9.253 -1.796 -7.079 367 HG12 VAL 44 2HG1 VAL 44 7.929 -2.348 -8.110 368 HG13 VAL 44 3HG1 VAL 44 9.389 -1.674 -8.835 369 HG21 VAL 44 3HG2 VAL 44 11.549 -2.982 -8.822 370 HG22 VAL 44 1HG2 VAL 44 11.604 -4.604 -8.136 371 HG23 VAL 44 2HG2 VAL 44 11.510 -3.201 -7.072 372 H GLU 45 H GLU 45 10.506 -5.901 -5.293 373 HA GLU 45 HA GLU 45 10.045 -4.135 -2.991 374 HB2 GLU 45 2HB GLU 45 9.685 -6.666 -2.901 375 HB3 GLU 45 3HB GLU 45 11.425 -6.865 -3.083 376 HG2 GLU 45 2HG GLU 45 11.790 -5.665 -0.951 377 HG3 GLU 45 3HG GLU 45 10.057 -5.406 -0.792 378 H ASN 46 H ASN 46 11.562 -2.944 -4.902 379 HA ASN 46 HA ASN 46 13.491 -1.933 -5.480 380 HB2 ASN 46 2HB ASN 46 13.258 -0.916 -3.256 381 HB3 ASN 46 3HB ASN 46 14.077 -2.282 -2.512 382 HD21 ASN 46 1HD2 ASN 46 16.334 -2.399 -2.624 383 HD22 ASN 46 2HD2 ASN 46 17.314 -1.090 -3.180 384 H THR 47 H THR 47 14.195 -3.558 -6.882 385 HA THR 47 HA THR 47 16.512 -5.157 -5.998 386 HB THR 47 HB THR 47 14.186 -6.238 -7.660 387 HG1 THR 47 HG1 THR 47 14.644 -6.209 -4.983 388 HG21 THR 47 3HG2 THR 47 16.329 -7.192 -8.428 389 HG22 THR 47 1HG2 THR 47 15.368 -8.417 -7.594 390 HG23 THR 47 2HG2 THR 47 16.729 -7.654 -6.774 391 H ALA 48 H ALA 48 14.624 -4.772 -9.011 392 HA ALA 48 HA ALA 48 16.390 -3.128 -10.455 393 HB1 ALA 48 3HB ALA 48 17.951 -5.056 -10.363 394 HB2 ALA 48 1HB ALA 48 17.399 -4.790 -12.019 395 HB3 ALA 48 2HB ALA 48 16.716 -6.105 -11.057 396 H ASN 49 H ASN 49 15.886 -3.614 -12.977 397 HA ASN 49 HA ASN 49 13.509 -5.072 -13.604 398 HB2 ASN 49 2HB ASN 49 12.488 -2.934 -12.722 399 HB3 ASN 49 3HB ASN 49 13.341 -2.040 -13.977 400 HD21 ASN 49 1HD2 ASN 49 11.423 -1.291 -14.901 401 HD22 ASN 49 2HD2 ASN 49 10.344 -2.313 -15.778 402 HA PRO 50 HA PRO 50 16.576 -4.631 -17.093 403 HB2 PRO 50 2HB PRO 50 17.015 -7.305 -17.498 404 HB3 PRO 50 3HB PRO 50 17.886 -6.380 -16.271 405 HG2 PRO 50 2HG PRO 50 15.522 -8.210 -15.942 406 HG3 PRO 50 3HG PRO 50 16.972 -8.062 -14.926 407 HD2 PRO 50 2HD PRO 50 14.547 -6.898 -14.304 408 HD3 PRO 50 3HD PRO 50 16.111 -6.254 -13.753 409 H HIS 51 H HIS 51 13.952 -7.010 -16.743 410 HA HIS 51 HA HIS 51 12.504 -6.191 -19.055 411 HB2 HIS 51 2HB HIS 51 14.305 -7.513 -20.194 412 HB3 HIS 51 3HB HIS 51 13.949 -8.897 -19.170 413 HD1 HIS 51 HD1 HIS 51 13.540 -10.260 -21.380 414 HD2 HIS 51 HD2 HIS 51 10.849 -7.159 -20.765 415 HE1 HIS 51 HE1 HIS 51 11.687 -10.627 -23.028 416 HE2 HIS 51 HE2 HIS 51 10.109 -8.709 -22.688 417 H PHE 52 H PHE 52 13.164 -9.148 -17.189 418 HA PHE 52 HA PHE 52 10.533 -8.913 -15.845 419 HB2 PHE 52 2HB PHE 52 12.111 -11.438 -16.549 420 HB3 PHE 52 3HB PHE 52 10.743 -11.422 -15.443 421 HD1 PHE 52 HD2 PHE 52 8.445 -10.967 -16.289 422 HD2 PHE 52 HD1 PHE 52 11.761 -11.336 -18.963 423 HE1 PHE 52 HE2 PHE 52 6.897 -11.307 -18.167 424 HE2 PHE 52 HE1 PHE 52 10.210 -11.675 -20.832 425 HZ PHE 52 HZ PHE 52 7.778 -11.661 -20.443 426 H VAL 53 H VAL 53 10.578 -9.354 -13.587 427 HA VAL 53 HA VAL 53 13.064 -9.775 -12.173 428 HB VAL 53 HB VAL 53 13.330 -7.371 -12.625 429 HG11 VAL 53 1HG1 VAL 53 11.727 -5.653 -11.827 430 HG12 VAL 53 2HG1 VAL 53 10.614 -6.924 -11.316 431 HG13 VAL 53 3HG1 VAL 53 10.989 -6.717 -13.027 432 HG21 VAL 53 3HG2 VAL 53 12.539 -7.799 -9.714 433 HG22 VAL 53 1HG2 VAL 53 13.583 -6.512 -10.320 434 HG23 VAL 53 2HG2 VAL 53 14.105 -8.195 -10.420 435 H ARG 54 H ARG 54 9.629 -8.941 -12.086 436 HA ARG 54 HA ARG 54 9.280 -10.442 -9.569 437 HB2 ARG 54 2HB ARG 54 8.134 -7.679 -10.175 438 HB3 ARG 54 3HB ARG 54 7.664 -8.661 -8.797 439 HG2 ARG 54 2HG ARG 54 10.501 -7.700 -9.272 440 HG3 ARG 54 3HG ARG 54 9.327 -6.835 -8.293 441 HD2 ARG 54 2HD ARG 54 10.232 -9.679 -7.724 442 HD3 ARG 54 3HD ARG 54 10.926 -8.243 -6.965 443 HE ARG 54 HE ARG 54 8.119 -8.250 -6.630 444 HH11 ARG 54 1HH1 ARG 54 10.946 -9.894 -5.369 445 HH12 ARG 54 2HH1 ARG 54 10.218 -10.208 -3.829 446 HH21 ARG 54 1HH2 ARG 54 7.181 -8.666 -4.604 447 HH22 ARG 54 2HH2 ARG 54 8.086 -9.522 -3.398 448 H ARG 55 H ARG 55 7.212 -11.320 -9.262 449 HA ARG 55 HA ARG 55 5.666 -11.829 -11.724 450 HB2 ARG 55 2HB ARG 55 5.695 -13.178 -8.988 451 HB3 ARG 55 3HB ARG 55 4.643 -13.665 -10.308 452 HG2 ARG 55 2HG ARG 55 7.680 -13.772 -10.345 453 HG3 ARG 55 3HG ARG 55 6.606 -15.141 -10.070 454 HD2 ARG 55 2HD ARG 55 5.617 -14.730 -12.362 455 HD3 ARG 55 3HD ARG 55 6.875 -13.516 -12.618 456 HE ARG 55 HE ARG 55 8.296 -15.703 -11.920 457 HH11 ARG 55 1HH1 ARG 55 5.892 -15.173 -14.430 458 HH12 ARG 55 2HH1 ARG 55 6.491 -16.445 -15.441 459 HH21 ARG 55 1HH2 ARG 55 9.060 -17.358 -13.275 460 HH22 ARG 55 2HH2 ARG 55 8.267 -17.687 -14.781 461 H ASN 56 H ASN 56 3.198 -12.472 -10.574 462 HA ASN 56 HA ASN 56 2.066 -9.932 -9.659 463 HB2 ASN 56 2HB ASN 56 0.906 -11.254 -11.405 464 HB3 ASN 56 3HB ASN 56 0.785 -12.630 -10.325 465 HD21 ASN 56 1HD2 ASN 56 -0.409 -9.399 -10.992 466 HD22 ASN 56 2HD2 ASN 56 -1.851 -9.532 -10.051 467 H ILE 57 H ILE 57 3.670 -12.407 -8.156 468 HA ILE 57 HA ILE 57 2.002 -13.155 -6.004 469 HB ILE 57 HB ILE 57 4.068 -13.945 -4.828 470 HG12 ILE 57 2HG1 ILE 57 5.617 -13.034 -7.304 471 HG13 ILE 57 3HG1 ILE 57 5.656 -12.184 -5.767 472 HG21 ILE 57 1HG2 ILE 57 2.853 -15.416 -6.356 473 HG22 ILE 57 2HG2 ILE 57 4.580 -15.764 -6.405 474 HG23 ILE 57 3HG2 ILE 57 3.825 -14.853 -7.716 475 HD11 ILE 57 3HD1 ILE 57 6.644 -14.150 -4.699 476 HD12 ILE 57 1HD1 ILE 57 7.612 -13.576 -6.055 477 HD13 ILE 57 2HD1 ILE 57 6.599 -15.006 -6.244 478 H ILE 58 H ILE 58 1.162 -11.762 -4.671 479 HA ILE 58 HA ILE 58 2.767 -9.610 -3.437 480 HB ILE 58 HB ILE 58 -0.257 -10.101 -3.361 481 HG12 ILE 58 2HG1 ILE 58 1.378 -8.061 -4.944 482 HG13 ILE 58 3HG1 ILE 58 0.528 -9.440 -5.622 483 HG21 ILE 58 1HG2 ILE 58 1.344 -7.725 -2.316 484 HG22 ILE 58 2HG2 ILE 58 0.524 -8.935 -1.325 485 HG23 ILE 58 3HG2 ILE 58 -0.420 -7.844 -2.341 486 HD11 ILE 58 3HD1 ILE 58 -1.601 -8.424 -4.943 487 HD12 ILE 58 1HD1 ILE 58 -0.666 -7.411 -6.045 488 HD13 ILE 58 2HD1 ILE 58 -0.710 -7.028 -4.325 489 H THR 59 H THR 59 3.857 -10.436 -1.760 490 HA THR 59 HA THR 59 2.576 -12.323 0.116 491 HB THR 59 HB THR 59 4.956 -12.411 1.119 492 HG1 THR 59 HG1 THR 59 6.137 -10.788 0.341 493 HG21 THR 59 3HG2 THR 59 4.666 -13.300 -1.781 494 HG22 THR 59 1HG2 THR 59 4.113 -14.203 -0.367 495 HG23 THR 59 2HG2 THR 59 5.834 -13.921 -0.614 496 H ARG 60 H ARG 60 2.471 -11.813 2.360 497 HA ARG 60 HA ARG 60 1.944 -9.105 3.033 498 HB2 ARG 60 2HB ARG 60 0.827 -10.979 4.206 499 HB3 ARG 60 3HB ARG 60 2.368 -11.498 4.882 500 HG2 ARG 60 2HG ARG 60 2.540 -9.345 6.105 501 HG3 ARG 60 3HG ARG 60 0.969 -8.864 5.464 502 HD2 ARG 60 2HD ARG 60 -0.107 -10.723 6.648 503 HD3 ARG 60 3HD ARG 60 1.470 -11.283 7.222 504 HE ARG 60 HE ARG 60 1.330 -8.691 8.079 505 HH11 ARG 60 1HH1 ARG 60 -0.728 -11.508 8.570 506 HH12 ARG 60 2HH1 ARG 60 -1.237 -11.013 10.150 507 HH21 ARG 60 1HH2 ARG 60 0.642 -8.059 10.164 508 HH22 ARG 60 2HH2 ARG 60 -0.467 -9.059 11.050 509 H GLY 61 H GLY 61 3.278 -7.563 3.775 510 HA2 GLY 61 2HA GLY 61 5.127 -6.533 4.742 511 HA3 GLY 61 3HA GLY 61 5.889 -8.100 4.954 512 H ALA 62 H ALA 62 4.711 -7.692 1.776 513 HA ALA 62 HA ALA 62 7.410 -7.245 0.728 514 HB1 ALA 62 3HB ALA 62 6.041 -9.010 -0.300 515 HB2 ALA 62 1HB ALA 62 6.427 -7.754 -1.480 516 HB3 ALA 62 2HB ALA 62 4.820 -7.823 -0.750 517 H VAL 63 H VAL 63 8.013 -5.492 -0.550 518 HA VAL 63 HA VAL 63 6.431 -3.058 -0.421 519 HB VAL 63 HB VAL 63 9.079 -3.573 -1.855 520 HG11 VAL 63 1HG1 VAL 63 7.911 -1.616 -2.752 521 HG12 VAL 63 2HG1 VAL 63 9.341 -1.117 -1.850 522 HG13 VAL 63 3HG1 VAL 63 7.735 -0.948 -1.130 523 HG21 VAL 63 3HG2 VAL 63 10.158 -2.461 0.079 524 HG22 VAL 63 1HG2 VAL 63 9.355 -3.962 0.541 525 HG23 VAL 63 2HG2 VAL 63 8.603 -2.410 0.911 526 H VAL 64 H VAL 64 4.803 -2.835 -1.834 527 HA VAL 64 HA VAL 64 5.079 -3.834 -4.603 528 HB VAL 64 HB VAL 64 2.618 -3.514 -4.820 529 HG11 VAL 64 1HG1 VAL 64 3.420 -5.312 -2.493 530 HG12 VAL 64 2HG1 VAL 64 3.469 -5.737 -4.203 531 HG13 VAL 64 3HG1 VAL 64 1.919 -5.442 -3.417 532 HG21 VAL 64 3HG2 VAL 64 2.248 -1.736 -3.148 533 HG22 VAL 64 1HG2 VAL 64 2.650 -2.852 -1.840 534 HG23 VAL 64 2HG2 VAL 64 1.204 -3.118 -2.820 535 H GLU 65 H GLU 65 4.812 -2.443 -6.308 536 HA GLU 65 HA GLU 65 5.196 0.432 -5.839 537 HB2 GLU 65 2HB GLU 65 6.699 -0.774 -7.448 538 HB3 GLU 65 3HB GLU 65 5.298 -1.204 -8.423 539 HG2 GLU 65 2HG GLU 65 4.871 1.280 -8.719 540 HG3 GLU 65 3HG GLU 65 6.429 1.576 -7.949 541 H THR 66 H THR 66 3.482 1.816 -6.097 542 HA THR 66 HA THR 66 1.095 0.947 -7.620 543 HB THR 66 HB THR 66 -0.397 1.981 -5.967 544 HG1 THR 66 HG1 THR 66 1.654 2.339 -4.083 545 HG21 THR 66 3HG2 THR 66 0.145 -0.394 -5.554 546 HG22 THR 66 1HG2 THR 66 -0.113 0.467 -4.035 547 HG23 THR 66 2HG2 THR 66 1.526 0.081 -4.561 548 H ASN 67 H ASN 67 -0.381 3.049 -7.852 549 HA ASN 67 HA ASN 67 1.082 4.972 -9.358 550 HB2 ASN 67 2HB ASN 67 -1.806 4.957 -8.417 551 HB3 ASN 67 3HB ASN 67 -1.136 6.220 -9.445 552 HD21 ASN 67 1HD2 ASN 67 -2.637 5.697 -11.077 553 HD22 ASN 67 2HD2 ASN 67 -2.453 4.293 -12.068 554 H LEU 68 H LEU 68 0.406 4.749 -5.985 555 HA LEU 68 HA LEU 68 0.766 7.614 -5.464 556 HB2 LEU 68 2HB LEU 68 0.280 5.271 -3.580 557 HB3 LEU 68 3HB LEU 68 0.396 6.953 -3.081 558 HG LEU 68 HG LEU 68 -1.773 5.791 -4.880 559 HD11 LEU 68 1HD1 LEU 68 -2.055 5.071 -2.558 560 HD12 LEU 68 2HD1 LEU 68 -3.310 6.216 -3.018 561 HD13 LEU 68 3HD1 LEU 68 -1.965 6.749 -2.010 562 HD21 LEU 68 3HD2 LEU 68 -1.464 8.630 -3.840 563 HD22 LEU 68 1HD2 LEU 68 -2.872 7.998 -4.696 564 HD23 LEU 68 2HD2 LEU 68 -1.320 8.112 -5.519 565 H GLY 69 H GLY 69 2.300 4.491 -4.715 566 HA2 GLY 69 2HA GLY 69 4.903 5.059 -5.312 567 HA3 GLY 69 3HA GLY 69 4.719 5.628 -3.651 568 H ASN 70 H ASN 70 6.228 4.037 -2.991 569 HA ASN 70 HA ASN 70 5.661 1.215 -3.214 570 HB2 ASN 70 2HB ASN 70 7.642 2.791 -1.521 571 HB3 ASN 70 3HB ASN 70 7.531 1.033 -1.486 572 HD21 ASN 70 1HD2 ASN 70 7.078 0.552 -4.258 573 HD22 ASN 70 2HD2 ASN 70 8.526 0.978 -5.091 574 H VAL 71 H VAL 71 4.563 -0.084 -1.792 575 HA VAL 71 HA VAL 71 3.613 1.062 0.777 576 HB VAL 71 HB VAL 71 1.960 -0.765 -1.054 577 HG11 VAL 71 1HG1 VAL 71 1.103 0.906 1.334 578 HG12 VAL 71 2HG1 VAL 71 1.319 -0.845 1.317 579 HG13 VAL 71 3HG1 VAL 71 0.050 -0.106 0.341 580 HG21 VAL 71 3HG2 VAL 71 0.619 1.203 -1.713 581 HG22 VAL 71 1HG2 VAL 71 2.297 1.358 -2.238 582 HG23 VAL 71 2HG2 VAL 71 1.725 2.264 -0.834 583 H ARG 72 H ARG 72 3.612 -0.365 2.507 584 HA ARG 72 HA ARG 72 4.760 -3.056 2.181 585 HB2 ARG 72 2HB ARG 72 4.145 -1.341 4.625 586 HB3 ARG 72 3HB ARG 72 4.465 -3.062 4.791 587 HG2 ARG 72 2HG ARG 72 6.377 -1.044 3.606 588 HG3 ARG 72 3HG ARG 72 6.443 -1.655 5.257 589 HD2 ARG 72 2HD ARG 72 6.790 -3.959 4.353 590 HD3 ARG 72 3HD ARG 72 6.811 -3.289 2.719 591 HE ARG 72 HE ARG 72 8.715 -1.899 4.212 592 HH11 ARG 72 1HH1 ARG 72 8.294 -5.187 3.016 593 HH12 ARG 72 2HH1 ARG 72 9.998 -5.493 2.933 594 HH21 ARG 72 1HH2 ARG 72 10.935 -2.338 4.089 595 HH22 ARG 72 2HH2 ARG 72 11.479 -3.887 3.524 596 H VAL 73 H VAL 73 3.411 -4.762 1.986 597 HA VAL 73 HA VAL 73 0.539 -4.419 2.107 598 HB VAL 73 HB VAL 73 2.218 -6.946 1.674 599 HG11 VAL 73 1HG1 VAL 73 -0.069 -7.523 2.366 600 HG12 VAL 73 2HG1 VAL 73 0.184 -7.928 0.668 601 HG13 VAL 73 3HG1 VAL 73 -0.736 -6.487 1.105 602 HG21 VAL 73 3HG2 VAL 73 2.662 -5.225 -0.037 603 HG22 VAL 73 1HG2 VAL 73 0.938 -5.096 -0.376 604 HG23 VAL 73 2HG2 VAL 73 1.798 -6.597 -0.731 605 H THR 74 H THR 74 -0.006 -3.981 4.259 606 HA THR 74 HA THR 74 0.845 -5.609 6.471 607 HB THR 74 HB THR 74 -0.816 -4.230 7.775 608 HG1 THR 74 HG1 THR 74 -2.157 -2.884 6.763 609 HG21 THR 74 3HG2 THR 74 0.997 -2.603 5.946 610 HG22 THR 74 1HG2 THR 74 1.497 -3.399 7.442 611 HG23 THR 74 2HG2 THR 74 0.339 -2.070 7.494 612 H SER 75 H SER 75 -2.149 -5.319 4.577 613 HA SER 75 HA SER 75 -3.385 -7.602 5.931 614 HB2 SER 75 2HB SER 75 -4.432 -5.807 3.698 615 HB3 SER 75 3HB SER 75 -5.357 -7.058 4.535 616 HG SER 75 HG SER 75 -4.132 -4.839 5.811 617 H ARG 76 H ARG 76 -2.849 -9.538 5.294 618 HA ARG 76 HA ARG 76 -1.466 -10.356 3.038 619 HB2 ARG 76 2HB ARG 76 -1.662 -11.574 5.191 620 HB3 ARG 76 3HB ARG 76 -3.350 -11.908 4.876 621 HG2 ARG 76 2HG ARG 76 -1.241 -12.951 2.989 622 HG3 ARG 76 3HG ARG 76 -1.539 -13.773 4.518 623 HD2 ARG 76 2HD ARG 76 -3.567 -13.292 2.310 624 HD3 ARG 76 3HD ARG 76 -2.787 -14.827 2.705 625 HE ARG 76 HE ARG 76 -3.961 -14.112 5.045 626 HH11 ARG 76 1HH1 ARG 76 -5.246 -14.440 1.786 627 HH12 ARG 76 2HH1 ARG 76 -6.789 -15.002 2.339 628 HH21 ARG 76 1HH2 ARG 76 -6.000 -14.828 5.730 629 HH22 ARG 76 2HH2 ARG 76 -7.214 -15.229 4.556 630 HA PRO 77 HA PRO 77 -4.540 -9.995 -0.251 631 HB2 PRO 77 2HB PRO 77 -3.571 -11.889 -2.041 632 HB3 PRO 77 3HB PRO 77 -2.859 -10.286 -1.825 633 HG2 PRO 77 2HG PRO 77 -2.031 -12.896 -0.553 634 HG3 PRO 77 3HG PRO 77 -1.019 -11.674 -1.360 635 HD2 PRO 77 2HD PRO 77 -1.160 -11.741 1.307 636 HD3 PRO 77 3HD PRO 77 -1.172 -10.169 0.472 637 H GLY 78 H GLY 78 -6.557 -10.789 -0.377 638 HA2 GLY 78 2HA GLY 78 -8.043 -12.636 -0.953 639 HA3 GLY 78 3HA GLY 78 -7.108 -13.679 0.106 640 H GLN 79 H GLN 79 -7.002 -11.204 2.011 641 HA GLN 79 HA GLN 79 -9.187 -11.933 3.684 642 HB2 GLN 79 2HB GLN 79 -7.362 -9.497 3.830 643 HB3 GLN 79 3HB GLN 79 -8.459 -10.016 5.108 644 HG2 GLN 79 2HG GLN 79 -7.216 -12.120 5.366 645 HG3 GLN 79 3HG GLN 79 -6.140 -11.666 4.046 646 HE21 GLN 79 1HE2 GLN 79 -5.427 -12.320 6.767 647 HE22 GLN 79 2HE2 GLN 79 -4.612 -10.943 7.413 648 H ASP 80 H ASP 80 -11.163 -11.640 2.851 649 HA ASP 80 HA ASP 80 -13.106 -10.744 2.188 650 HB2 ASP 80 2HB ASP 80 -11.740 -8.077 2.673 651 HB3 ASP 80 3HB ASP 80 -13.393 -8.188 2.095 652 H GLY 81 H GLY 81 -10.345 -10.676 0.422 653 HA2 GLY 81 2HA GLY 81 -10.140 -10.959 -1.885 654 HA3 GLY 81 3HA GLY 81 -11.745 -10.277 -2.116 655 H VAL 82 H VAL 82 -10.279 -8.240 -0.039 656 HA VAL 82 HA VAL 82 -9.063 -6.507 -2.115 657 HB VAL 82 HB VAL 82 -11.115 -5.552 -1.155 658 HG11 VAL 82 1HG1 VAL 82 -11.210 -6.719 0.998 659 HG12 VAL 82 2HG1 VAL 82 -11.343 -4.979 1.238 660 HG13 VAL 82 3HG1 VAL 82 -9.821 -5.797 1.588 661 HG21 VAL 82 3HG2 VAL 82 -10.269 -3.376 -0.344 662 HG22 VAL 82 1HG2 VAL 82 -9.334 -3.953 -1.718 663 HG23 VAL 82 2HG2 VAL 82 -8.670 -4.084 -0.087 664 H ILE 83 H ILE 83 -7.039 -5.526 -1.626 665 HA ILE 83 HA ILE 83 -5.587 -6.528 0.758 666 HB ILE 83 HB ILE 83 -4.444 -5.172 -1.736 667 HG12 ILE 83 2HG1 ILE 83 -4.572 -8.137 -1.002 668 HG13 ILE 83 3HG1 ILE 83 -5.405 -7.357 -2.338 669 HG21 ILE 83 1HG2 ILE 83 -2.243 -5.968 -0.917 670 HG22 ILE 83 2HG2 ILE 83 -3.009 -6.643 0.520 671 HG23 ILE 83 3HG2 ILE 83 -3.002 -4.898 0.265 672 HD11 ILE 83 3HD1 ILE 83 -2.433 -7.732 -2.061 673 HD12 ILE 83 1HD1 ILE 83 -3.237 -6.882 -3.385 674 HD13 ILE 83 2HD1 ILE 83 -3.527 -8.602 -3.132 675 H ASN 84 H ASN 84 -4.652 -5.107 2.194 676 HA ASN 84 HA ASN 84 -4.941 -2.184 1.794 677 HB2 ASN 84 2HB ASN 84 -5.312 -3.589 4.483 678 HB3 ASN 84 3HB ASN 84 -5.503 -1.872 4.156 679 HD21 ASN 84 1HD2 ASN 84 -7.385 -3.799 5.325 680 HD22 ASN 84 2HD2 ASN 84 -8.808 -3.730 4.349 681 H GLY 85 H GLY 85 -3.262 -0.959 2.923 682 HA2 GLY 85 2HA GLY 85 -0.999 -2.296 4.129 683 HA3 GLY 85 3HA GLY 85 -0.691 -1.773 2.476 684 H VAL 86 H VAL 86 0.993 -0.632 4.045 685 HA VAL 86 HA VAL 86 -0.060 2.083 4.647 686 HB VAL 86 HB VAL 86 1.779 2.322 6.367 687 HG11 VAL 86 1HG1 VAL 86 0.647 1.062 8.145 688 HG12 VAL 86 2HG1 VAL 86 -0.209 0.096 6.941 689 HG13 VAL 86 3HG1 VAL 86 -0.524 1.829 7.077 690 HG21 VAL 86 3HG2 VAL 86 2.875 0.284 7.253 691 HG22 VAL 86 1HG2 VAL 86 3.302 0.558 5.562 692 HG23 VAL 86 2HG2 VAL 86 2.121 -0.681 5.984 693 H LEU 87 H LEU 87 1.028 3.817 3.802 694 HA LEU 87 HA LEU 87 2.647 3.415 1.526 695 HB2 LEU 87 2HB LEU 87 1.113 5.345 1.858 696 HB3 LEU 87 3HB LEU 87 2.174 5.971 3.106 697 HG LEU 87 HG LEU 87 3.987 6.279 1.398 698 HD11 LEU 87 1HD1 LEU 87 3.484 6.109 -1.007 699 HD12 LEU 87 2HD1 LEU 87 1.888 5.457 -0.641 700 HD13 LEU 87 3HD1 LEU 87 3.333 4.541 -0.217 701 HD21 LEU 87 3HD2 LEU 87 1.376 7.674 0.696 702 HD22 LEU 87 1HD2 LEU 87 2.993 8.222 0.246 703 HD23 LEU 87 2HD2 LEU 87 2.520 8.178 1.941 704 H ILE 88 H ILE 88 4.789 3.009 1.444 705 HA ILE 88 HA ILE 88 6.613 4.363 3.346 706 HB ILE 88 HB ILE 88 8.310 2.603 2.888 707 HG12 ILE 88 2HG1 ILE 88 6.063 1.033 1.541 708 HG13 ILE 88 3HG1 ILE 88 7.350 1.850 0.664 709 HG21 ILE 88 1HG2 ILE 88 6.953 2.454 4.929 710 HG22 ILE 88 2HG2 ILE 88 7.316 0.840 4.317 711 HG23 ILE 88 3HG2 ILE 88 5.714 1.534 4.064 712 HD11 ILE 88 3HD1 ILE 88 7.723 -0.403 2.624 713 HD12 ILE 88 1HD1 ILE 88 8.993 0.394 1.691 714 HD13 ILE 88 2HD1 ILE 88 7.742 -0.536 0.870 715 H ARG 89 H ARG 89 8.807 4.689 2.325 716 HA ARG 89 HA ARG 89 8.608 5.662 -0.447 717 HB2 ARG 89 2HB ARG 89 9.361 7.371 1.969 718 HB3 ARG 89 3HB ARG 89 9.901 7.785 0.352 719 HG2 ARG 89 2HG ARG 89 8.023 9.152 0.696 720 HG3 ARG 89 3HG ARG 89 7.408 7.836 -0.298 721 HD2 ARG 89 2HD ARG 89 5.775 8.292 1.392 722 HD3 ARG 89 3HD ARG 89 6.539 6.764 1.821 723 HE ARG 89 HE ARG 89 6.922 9.365 3.163 724 HH11 ARG 89 1HH1 ARG 89 7.510 5.915 3.221 725 HH12 ARG 89 2HH1 ARG 89 7.824 5.866 4.919 726 HH21 ARG 89 1HH2 ARG 89 7.310 9.271 5.417 727 HH22 ARG 89 2HH2 ARG 89 7.719 7.750 6.153 728 H GLU 90 H GLU 90 9.903 3.926 -1.020 729 HA GLU 90 HA GLU 90 12.644 3.770 0.085 730 HB2 GLU 90 2HB GLU 90 11.178 1.827 -1.763 731 HB3 GLU 90 3HB GLU 90 12.757 1.564 -1.030 732 HG2 GLU 90 2HG GLU 90 10.097 1.733 0.408 733 HG3 GLU 90 3HG GLU 90 11.061 0.284 0.147 734 H LEU 91 H LEU 91 11.115 3.334 -3.086 735 HA LEU 91 HA LEU 91 13.295 4.332 -4.627 736 HB2 LEU 91 2HB LEU 91 10.368 3.958 -5.398 737 HB3 LEU 91 3HB LEU 91 11.711 4.162 -6.519 738 HG LEU 91 HG LEU 91 11.408 1.788 -4.626 739 HD11 LEU 91 1HD1 LEU 91 10.779 0.465 -6.601 740 HD12 LEU 91 2HD1 LEU 91 10.794 1.926 -7.593 741 HD13 LEU 91 3HD1 LEU 91 9.614 1.754 -6.292 742 HD21 LEU 91 3HD2 LEU 91 13.340 2.211 -6.940 743 HD22 LEU 91 1HD2 LEU 91 13.196 0.747 -5.962 744 HD23 LEU 91 2HD2 LEU 91 13.757 2.244 -5.225 745 H GLU 92 H GLU 92 13.553 6.311 -5.576 746 HA GLU 92 HA GLU 92 13.580 8.465 -5.998 747 HB2 GLU 92 2HB GLU 92 11.699 9.791 -6.391 748 HB3 GLU 92 3HB GLU 92 11.149 8.161 -6.728 749 HG2 GLU 92 2HG GLU 92 9.861 8.097 -4.677 750 HG3 GLU 92 3HG GLU 92 10.589 9.598 -4.113 751 H HIS 93 H HIS 93 12.269 7.674 -2.786 752 HA HIS 93 HA HIS 93 13.136 10.096 -1.532 753 HB2 HIS 93 2HB HIS 93 11.462 8.553 -0.506 754 HB3 HIS 93 3HB HIS 93 12.708 7.337 -0.305 755 HD1 HIS 93 HD1 HIS 93 11.090 10.078 1.440 756 HD2 HIS 93 HD2 HIS 93 14.824 8.252 1.614 757 HE1 HIS 93 HE1 HIS 93 12.077 10.747 3.646 758 HE2 HIS 93 HE2 HIS 93 14.252 9.498 3.799 759 H HIS 94 H HIS 94 14.487 6.758 -1.442 760 HA HIS 94 HA HIS 94 17.223 7.722 -1.193 761 HB2 HIS 94 2HB HIS 94 16.628 5.586 -0.126 762 HB3 HIS 94 3HB HIS 94 16.089 4.921 -1.666 763 HD1 HIS 94 HD1 HIS 94 17.817 3.730 -3.040 764 HD2 HIS 94 HD2 HIS 94 19.532 6.013 -0.029 765 HE1 HIS 94 HE1 HIS 94 20.249 3.150 -3.055 766 HE2 HIS 94 HE2 HIS 94 21.279 4.599 -1.277 767 H HIS 95 H HIS 95 17.004 9.133 -3.006 768 HA HIS 95 HA HIS 95 16.653 8.098 -5.691 769 HB2 HIS 95 2HB HIS 95 16.878 10.448 -6.396 770 HB3 HIS 95 3HB HIS 95 15.703 10.283 -5.097 771 HD1 HIS 95 HD1 HIS 95 18.834 12.005 -6.005 772 HD2 HIS 95 HD2 HIS 95 16.607 11.329 -2.562 773 HE1 HIS 95 HE1 HIS 95 19.704 13.624 -4.299 774 HE2 HIS 95 HE2 HIS 95 18.309 13.232 -2.244 775 H HIS 96 H HIS 96 18.279 9.135 -7.369 776 HA HIS 96 HA HIS 96 20.686 7.661 -7.110 777 HB2 HIS 96 2HB HIS 96 20.003 9.834 -9.140 778 HB3 HIS 96 3HB HIS 96 21.295 8.643 -9.297 779 HD1 HIS 96 HD1 HIS 96 18.285 9.213 -10.826 780 HD2 HIS 96 HD2 HIS 96 19.752 5.877 -8.837 781 HE1 HIS 96 HE1 HIS 96 16.955 7.272 -11.683 782 HE2 HIS 96 HE2 HIS 96 17.745 5.301 -10.343 783 H HIS 97 H HIS 97 21.932 8.312 -5.400 784 HA HIS 97 HA HIS 97 23.453 10.800 -5.706 785 HB2 HIS 97 2HB HIS 97 21.596 11.355 -4.112 786 HB3 HIS 97 3HB HIS 97 22.106 10.027 -3.071 787 HD1 HIS 97 HD1 HIS 97 24.092 10.461 -1.504 788 HD2 HIS 97 HD2 HIS 97 23.389 13.597 -4.135 789 HE1 HIS 97 HE1 HIS 97 25.545 12.345 -0.713 790 HE2 HIS 97 HE2 HIS 97 25.249 14.149 -2.437 791 H HIS 98 H HIS 98 25.216 9.611 -6.286 792 HA HIS 98 HA HIS 98 26.484 7.890 -4.226 793 HB2 HIS 98 2HB HIS 98 26.434 7.387 -7.244 794 HB3 HIS 98 3HB HIS 98 27.441 6.498 -6.097 795 HD1 HIS 98 HD1 HIS 98 24.573 5.887 -7.939 796 HD2 HIS 98 HD2 HIS 98 25.410 5.498 -3.884 797 HE1 HIS 98 HE1 HIS 98 22.922 4.216 -7.059 798 HE2 HIS 98 HE2 HIS 98 23.416 4.030 -4.605 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -40.280 10.387 -40.828 2 H2 GLY 1 2H GLY 1 -39.087 9.363 -40.222 3 H3 GLY 1 3H GLY 1 -40.196 10.073 -39.170 4 HA2 GLY 1 2HA GLY 1 -41.994 8.841 -40.212 5 HA3 GLY 1 3HA GLY 1 -40.817 8.095 -41.285 6 H ASP 2 H ASP 2 -38.978 6.935 -40.156 7 HA ASP 2 HA ASP 2 -40.044 4.901 -38.466 8 HB2 ASP 2 2HB ASP 2 -37.171 5.472 -39.320 9 HB3 ASP 2 3HB ASP 2 -37.683 4.012 -38.476 10 H ARG 3 H ARG 3 -40.750 6.128 -36.645 11 HA ARG 3 HA ARG 3 -38.677 6.502 -34.568 12 HB2 ARG 3 2HB ARG 3 -41.089 8.322 -35.065 13 HB3 ARG 3 3HB ARG 3 -40.054 8.416 -33.645 14 HG2 ARG 3 2HG ARG 3 -39.190 8.944 -36.510 15 HG3 ARG 3 3HG ARG 3 -39.521 10.172 -35.287 16 HD2 ARG 3 2HD ARG 3 -37.640 9.423 -33.947 17 HD3 ARG 3 3HD ARG 3 -37.360 8.054 -35.028 18 HE ARG 3 HE ARG 3 -37.173 10.777 -36.120 19 HH11 ARG 3 1HH1 ARG 3 -35.466 7.855 -35.141 20 HH12 ARG 3 2HH1 ARG 3 -34.014 8.289 -35.985 21 HH21 ARG 3 1HH2 ARG 3 -35.259 11.310 -37.218 22 HH22 ARG 3 2HH2 ARG 3 -33.900 10.235 -37.156 23 H ARG 4 H ARG 4 -39.955 4.165 -35.084 24 HA ARG 4 HA ARG 4 -42.380 3.766 -33.625 25 HB2 ARG 4 2HB ARG 4 -41.953 1.332 -34.039 26 HB3 ARG 4 3HB ARG 4 -41.888 2.309 -35.498 27 HG2 ARG 4 2HG ARG 4 -39.354 2.275 -35.289 28 HG3 ARG 4 3HG ARG 4 -39.548 1.102 -33.989 29 HD2 ARG 4 2HD ARG 4 -40.450 0.741 -36.865 30 HD3 ARG 4 3HD ARG 4 -39.031 0.001 -36.122 31 HE ARG 4 HE ARG 4 -41.053 -0.854 -34.536 32 HH11 ARG 4 1HH1 ARG 4 -40.579 -0.961 -38.018 33 HH12 ARG 4 2HH1 ARG 4 -41.501 -2.413 -38.215 34 HH21 ARG 4 1HH2 ARG 4 -42.248 -2.771 -34.808 35 HH22 ARG 4 2HH2 ARG 4 -42.461 -3.441 -36.393 36 H VAL 5 H VAL 5 -42.087 4.545 -31.562 37 HA VAL 5 HA VAL 5 -39.962 3.836 -29.798 38 HB VAL 5 HB VAL 5 -42.743 4.846 -29.013 39 HG11 VAL 5 1HG1 VAL 5 -41.462 3.942 -27.111 40 HG12 VAL 5 2HG1 VAL 5 -41.645 5.691 -26.969 41 HG13 VAL 5 3HG1 VAL 5 -40.104 5.005 -27.497 42 HG21 VAL 5 3HG2 VAL 5 -41.739 6.377 -30.652 43 HG22 VAL 5 1HG2 VAL 5 -40.262 6.485 -29.690 44 HG23 VAL 5 2HG2 VAL 5 -41.782 7.125 -29.058 45 H ARG 6 H ARG 6 -39.659 1.944 -28.873 46 HA ARG 6 HA ARG 6 -41.444 -0.264 -29.111 47 HB2 ARG 6 2HB ARG 6 -39.012 -0.545 -29.182 48 HB3 ARG 6 3HB ARG 6 -38.849 0.087 -27.551 49 HG2 ARG 6 2HG ARG 6 -39.934 -1.889 -26.618 50 HG3 ARG 6 3HG ARG 6 -40.299 -2.497 -28.236 51 HD2 ARG 6 2HD ARG 6 -37.509 -2.103 -27.090 52 HD3 ARG 6 3HD ARG 6 -38.352 -3.652 -27.242 53 HE ARG 6 HE ARG 6 -38.391 -2.643 -29.772 54 HH11 ARG 6 1HH1 ARG 6 -35.777 -3.340 -27.506 55 HH12 ARG 6 2HH1 ARG 6 -34.637 -3.680 -28.766 56 HH21 ARG 6 1HH2 ARG 6 -36.896 -3.102 -31.381 57 HH22 ARG 6 2HH2 ARG 6 -35.271 -3.546 -30.964 58 H LEU 7 H LEU 7 -40.912 2.132 -26.657 59 HA LEU 7 HA LEU 7 -41.607 2.517 -24.554 60 HB2 LEU 7 2HB LEU 7 -43.886 1.856 -25.774 61 HB3 LEU 7 3HB LEU 7 -43.795 0.420 -24.779 62 HG LEU 7 HG LEU 7 -43.899 3.268 -23.695 63 HD11 LEU 7 1HD1 LEU 7 -45.989 2.725 -24.841 64 HD12 LEU 7 2HD1 LEU 7 -46.247 2.794 -23.102 65 HD13 LEU 7 3HD1 LEU 7 -46.141 1.228 -23.909 66 HD21 LEU 7 3HD2 LEU 7 -44.377 2.254 -21.516 67 HD22 LEU 7 1HD2 LEU 7 -42.816 1.712 -22.119 68 HD23 LEU 7 2HD2 LEU 7 -44.213 0.637 -22.209 69 H ILE 8 H ILE 8 -39.466 1.261 -24.589 70 HA ILE 8 HA ILE 8 -39.475 -1.336 -23.264 71 HB ILE 8 HB ILE 8 -37.780 -0.970 -24.989 72 HG12 ILE 8 2HG1 ILE 8 -36.504 -1.045 -22.205 73 HG13 ILE 8 3HG1 ILE 8 -37.118 -2.431 -23.098 74 HG21 ILE 8 1HG2 ILE 8 -35.998 0.729 -24.818 75 HG22 ILE 8 2HG2 ILE 8 -36.726 1.358 -23.338 76 HG23 ILE 8 3HG2 ILE 8 -37.593 1.486 -24.868 77 HD11 ILE 8 3HD1 ILE 8 -34.721 -2.373 -23.200 78 HD12 ILE 8 1HD1 ILE 8 -34.745 -0.727 -23.830 79 HD13 ILE 8 2HD1 ILE 8 -35.375 -2.055 -24.807 80 H ARG 9 H ARG 9 -39.322 -1.607 -21.091 81 HA ARG 9 HA ARG 9 -38.261 0.547 -19.364 82 HB2 ARG 9 2HB ARG 9 -40.815 -1.023 -18.754 83 HB3 ARG 9 3HB ARG 9 -40.027 0.116 -17.668 84 HG2 ARG 9 2HG ARG 9 -40.460 1.914 -19.403 85 HG3 ARG 9 3HG ARG 9 -41.436 0.730 -20.277 86 HD2 ARG 9 2HD ARG 9 -41.928 1.734 -17.458 87 HD3 ARG 9 3HD ARG 9 -42.858 2.162 -18.900 88 HE ARG 9 HE ARG 9 -43.090 -0.520 -18.864 89 HH11 ARG 9 1HH1 ARG 9 -43.704 1.870 -16.362 90 HH12 ARG 9 2HH1 ARG 9 -44.859 0.878 -15.536 91 HH21 ARG 9 1HH2 ARG 9 -44.601 -1.800 -17.771 92 HH22 ARG 9 2HH2 ARG 9 -45.376 -1.206 -16.337 93 H THR 10 H THR 10 -36.392 -0.521 -19.007 94 HA THR 10 HA THR 10 -36.394 -3.322 -18.078 95 HB THR 10 HB THR 10 -33.841 -3.033 -18.294 96 HG1 THR 10 HG1 THR 10 -34.317 -0.552 -18.441 97 HG21 THR 10 3HG2 THR 10 -33.827 -3.274 -20.745 98 HG22 THR 10 1HG2 THR 10 -35.482 -2.659 -20.826 99 HG23 THR 10 2HG2 THR 10 -35.150 -4.202 -20.036 100 H ARG 11 H ARG 11 -35.725 -3.895 -16.046 101 HA ARG 11 HA ARG 11 -34.792 -1.826 -14.152 102 HB2 ARG 11 2HB ARG 11 -37.352 -2.267 -13.996 103 HB3 ARG 11 3HB ARG 11 -36.938 -3.866 -13.405 104 HG2 ARG 11 2HG ARG 11 -37.313 -2.693 -11.432 105 HG3 ARG 11 3HG ARG 11 -35.561 -2.594 -11.586 106 HD2 ARG 11 2HD ARG 11 -37.545 -0.423 -12.355 107 HD3 ARG 11 3HD ARG 11 -36.555 -0.447 -10.897 108 HE ARG 11 HE ARG 11 -34.604 -0.461 -12.607 109 HH11 ARG 11 1HH1 ARG 11 -37.618 1.300 -13.065 110 HH12 ARG 11 2HH1 ARG 11 -36.871 2.561 -13.983 111 HH21 ARG 11 1HH2 ARG 11 -33.663 1.238 -13.822 112 HH22 ARG 11 2HH2 ARG 11 -34.656 2.537 -14.399 113 H GLY 12 H GLY 12 -32.837 -2.579 -13.588 114 HA2 GLY 12 2HA GLY 12 -32.424 -5.473 -13.054 115 HA3 GLY 12 3HA GLY 12 -31.228 -4.451 -13.841 116 H GLY 13 H GLY 13 -30.610 -5.897 -11.588 117 HA2 GLY 13 2HA GLY 13 -30.728 -4.124 -9.252 118 HA3 GLY 13 3HA GLY 13 -30.173 -5.790 -9.297 119 H ASN 14 H ASN 14 -28.351 -5.179 -8.085 120 HA ASN 14 HA ASN 14 -26.210 -3.796 -9.597 121 HB2 ASN 14 2HB ASN 14 -27.229 -2.324 -7.803 122 HB3 ASN 14 3HB ASN 14 -26.733 -3.504 -6.597 123 HD21 ASN 14 1HD2 ASN 14 -25.995 -0.707 -6.821 124 HD22 ASN 14 2HD2 ASN 14 -24.271 -0.654 -6.935 125 H THR 15 H THR 15 -25.034 -5.561 -10.160 126 HA THR 15 HA THR 15 -24.292 -7.606 -8.188 127 HB THR 15 HB THR 15 -23.656 -7.459 -11.176 128 HG1 THR 15 HG1 THR 15 -25.819 -8.538 -9.702 129 HG21 THR 15 3HG2 THR 15 -23.185 -9.887 -10.969 130 HG22 THR 15 1HG2 THR 15 -23.470 -9.800 -9.232 131 HG23 THR 15 2HG2 THR 15 -22.097 -8.948 -9.942 132 H LYS 16 H LYS 16 -22.567 -7.179 -6.967 133 HA LYS 16 HA LYS 16 -20.795 -5.000 -7.468 134 HB2 LYS 16 2HB LYS 16 -20.595 -7.155 -5.321 135 HB3 LYS 16 3HB LYS 16 -19.754 -5.607 -5.317 136 HG2 LYS 16 2HG LYS 16 -22.751 -6.040 -5.074 137 HG3 LYS 16 3HG LYS 16 -21.655 -5.529 -3.788 138 HD2 LYS 16 2HD LYS 16 -22.271 -3.941 -6.311 139 HD3 LYS 16 3HD LYS 16 -22.989 -3.649 -4.729 140 HE2 LYS 16 2HE LYS 16 -20.849 -2.995 -3.812 141 HE3 LYS 16 3HE LYS 16 -20.015 -3.474 -5.291 142 HZ1 LYS 16 3HZ LYS 16 -20.354 -1.071 -5.165 143 HZ2 LYS 16 1HZ LYS 16 -22.026 -1.303 -5.103 144 HZ3 LYS 16 2HZ LYS 16 -21.164 -1.739 -6.485 145 H VAL 17 H VAL 17 -18.527 -5.042 -7.712 146 HA VAL 17 HA VAL 17 -17.430 -7.470 -9.032 147 HB VAL 17 HB VAL 17 -17.961 -5.673 -10.664 148 HG11 VAL 17 1HG1 VAL 17 -15.956 -3.945 -9.165 149 HG12 VAL 17 2HG1 VAL 17 -17.700 -3.693 -9.231 150 HG13 VAL 17 3HG1 VAL 17 -16.732 -3.535 -10.697 151 HG21 VAL 17 3HG2 VAL 17 -16.099 -7.188 -11.179 152 HG22 VAL 17 1HG2 VAL 17 -14.966 -6.130 -10.330 153 HG23 VAL 17 2HG2 VAL 17 -15.755 -5.579 -11.813 154 H ARG 18 H ARG 18 -15.197 -7.906 -8.755 155 HA ARG 18 HA ARG 18 -13.875 -6.654 -6.430 156 HB2 ARG 18 2HB ARG 18 -13.334 -9.338 -7.774 157 HB3 ARG 18 3HB ARG 18 -12.526 -8.734 -6.332 158 HG2 ARG 18 2HG ARG 18 -15.517 -9.252 -6.464 159 HG3 ARG 18 3HG ARG 18 -14.351 -10.467 -5.945 160 HD2 ARG 18 2HD ARG 18 -15.339 -9.438 -3.991 161 HD3 ARG 18 3HD ARG 18 -13.651 -8.953 -4.099 162 HE ARG 18 HE ARG 18 -14.630 -6.814 -5.129 163 HH11 ARG 18 1HH1 ARG 18 -16.253 -8.631 -2.599 164 HH12 ARG 18 2HH1 ARG 18 -17.010 -7.218 -1.936 165 HH21 ARG 18 1HH2 ARG 18 -15.596 -4.991 -4.239 166 HH22 ARG 18 2HH2 ARG 18 -16.627 -5.161 -2.853 167 H LEU 19 H LEU 19 -12.145 -5.422 -6.759 168 HA LEU 19 HA LEU 19 -10.314 -4.431 -7.560 169 HB2 LEU 19 2HB LEU 19 -10.271 -6.538 -9.749 170 HB3 LEU 19 3HB LEU 19 -9.004 -5.354 -9.467 171 HG LEU 19 HG LEU 19 -9.817 -7.583 -7.559 172 HD11 LEU 19 1HD1 LEU 19 -8.580 -8.420 -9.491 173 HD12 LEU 19 2HD1 LEU 19 -7.617 -8.547 -8.026 174 HD13 LEU 19 3HD1 LEU 19 -7.281 -7.261 -9.188 175 HD21 LEU 19 3HD2 LEU 19 -7.621 -5.518 -7.218 176 HD22 LEU 19 1HD2 LEU 19 -7.917 -6.894 -6.157 177 HD23 LEU 19 2HD2 LEU 19 -9.111 -5.607 -6.280 178 H ALA 20 H ALA 20 -12.612 -5.267 -10.131 179 HA ALA 20 HA ALA 20 -13.966 -4.054 -11.415 180 HB1 ALA 20 3HB ALA 20 -12.834 -1.566 -10.091 181 HB2 ALA 20 1HB ALA 20 -14.241 -2.481 -9.537 182 HB3 ALA 20 2HB ALA 20 -14.286 -1.644 -11.089 183 H SER 21 H SER 21 -11.151 -1.824 -11.344 184 HA SER 21 HA SER 21 -10.990 -2.020 -14.298 185 HB2 SER 21 2HB SER 21 -9.803 0.092 -12.449 186 HB3 SER 21 3HB SER 21 -9.883 0.153 -14.210 187 HG SER 21 HG SER 21 -12.259 -0.022 -13.839 188 H ASP 22 H ASP 22 -9.014 -2.156 -11.325 189 HA ASP 22 HA ASP 22 -6.882 -3.645 -12.638 190 HB2 ASP 22 2HB ASP 22 -6.449 -1.177 -13.121 191 HB3 ASP 22 3HB ASP 22 -6.295 -0.918 -11.392 192 H THR 23 H THR 23 -4.991 -3.935 -10.881 193 HA THR 23 HA THR 23 -6.075 -5.191 -8.584 194 HB THR 23 HB THR 23 -3.167 -4.410 -9.121 195 HG1 THR 23 HG1 THR 23 -4.608 -5.896 -10.607 196 HG21 THR 23 3HG2 THR 23 -3.552 -5.141 -6.777 197 HG22 THR 23 1HG2 THR 23 -2.609 -6.333 -7.670 198 HG23 THR 23 2HG2 THR 23 -4.324 -6.618 -7.363 199 H ARG 24 H ARG 24 -6.599 -4.297 -6.676 200 HA ARG 24 HA ARG 24 -5.880 -1.488 -6.126 201 HB2 ARG 24 2HB ARG 24 -8.500 -2.954 -5.596 202 HB3 ARG 24 3HB ARG 24 -8.160 -1.304 -5.081 203 HG2 ARG 24 2HG ARG 24 -8.267 -2.266 -7.961 204 HG3 ARG 24 3HG ARG 24 -9.536 -1.367 -7.129 205 HD2 ARG 24 2HD ARG 24 -8.110 0.580 -6.926 206 HD3 ARG 24 3HD ARG 24 -6.718 -0.314 -7.524 207 HE ARG 24 HE ARG 24 -7.348 0.225 -9.617 208 HH11 ARG 24 1HH1 ARG 24 -10.356 0.162 -7.781 209 HH12 ARG 24 2HH1 ARG 24 -11.264 0.926 -9.045 210 HH21 ARG 24 1HH2 ARG 24 -8.542 1.269 -11.204 211 HH22 ARG 24 2HH2 ARG 24 -10.239 1.561 -10.972 212 H ILE 25 H ILE 25 -5.586 -0.839 -4.071 213 HA ILE 25 HA ILE 25 -5.521 -2.698 -1.815 214 HB ILE 25 HB ILE 25 -3.289 -3.000 -2.805 215 HG12 ILE 25 2HG1 ILE 25 -3.048 -1.188 -0.349 216 HG13 ILE 25 3HG1 ILE 25 -3.416 -2.907 -0.299 217 HG21 ILE 25 1HG2 ILE 25 -1.697 -1.129 -3.138 218 HG22 ILE 25 2HG2 ILE 25 -2.957 0.021 -2.691 219 HG23 ILE 25 3HG2 ILE 25 -3.135 -0.955 -4.149 220 HD11 ILE 25 3HD1 ILE 25 -1.200 -3.380 -1.283 221 HD12 ILE 25 1HD1 ILE 25 -1.109 -2.525 0.258 222 HD13 ILE 25 2HD1 ILE 25 -0.843 -1.651 -1.247 223 H ASN 26 H ASN 26 -5.787 -1.576 0.122 224 HA ASN 26 HA ASN 26 -6.348 1.304 -0.023 225 HB2 ASN 26 2HB ASN 26 -6.959 -0.761 2.150 226 HB3 ASN 26 3HB ASN 26 -7.335 0.959 2.274 227 HD21 ASN 26 1HD2 ASN 26 -8.037 -2.000 0.530 228 HD22 ASN 26 2HD2 ASN 26 -9.565 -1.493 -0.099 229 H VAL 27 H VAL 27 -4.510 2.315 0.085 230 HA VAL 27 HA VAL 27 -2.267 1.440 1.733 231 HB VAL 27 HB VAL 27 -2.523 3.646 -0.375 232 HG11 VAL 27 1HG1 VAL 27 -0.066 3.839 -0.268 233 HG12 VAL 27 2HG1 VAL 27 -0.025 2.699 1.084 234 HG13 VAL 27 3HG1 VAL 27 -0.818 4.267 1.265 235 HG21 VAL 27 3HG2 VAL 27 -1.148 0.930 -0.512 236 HG22 VAL 27 1HG2 VAL 27 -1.152 2.154 -1.784 237 HG23 VAL 27 2HG2 VAL 27 -2.661 1.378 -1.306 238 H VAL 28 H VAL 28 -2.184 2.190 3.725 239 HA VAL 28 HA VAL 28 -3.494 4.693 4.506 240 HB VAL 28 HB VAL 28 -2.268 2.550 6.319 241 HG11 VAL 28 1HG1 VAL 28 -4.197 4.810 6.958 242 HG12 VAL 28 2HG1 VAL 28 -2.486 4.746 7.381 243 HG13 VAL 28 3HG1 VAL 28 -3.609 3.596 8.102 244 HG21 VAL 28 3HG2 VAL 28 -5.193 2.804 5.495 245 HG22 VAL 28 1HG2 VAL 28 -4.560 1.692 6.720 246 HG23 VAL 28 2HG2 VAL 28 -4.088 1.512 5.032 247 H ASP 29 H ASP 29 -2.148 6.352 4.208 248 HA ASP 29 HA ASP 29 0.645 6.409 4.406 249 HB2 ASP 29 2HB ASP 29 -0.955 8.155 3.345 250 HB3 ASP 29 3HB ASP 29 -1.220 8.763 4.973 251 HA PRO 30 HA PRO 30 0.603 5.524 8.812 252 HB2 PRO 30 2HB PRO 30 3.293 5.753 9.357 253 HB3 PRO 30 3HB PRO 30 2.600 4.392 8.467 254 HG2 PRO 30 2HG PRO 30 3.927 6.877 7.386 255 HG3 PRO 30 3HG PRO 30 4.196 5.178 6.928 256 HD2 PRO 30 2HD PRO 30 2.625 6.801 5.451 257 HD3 PRO 30 3HD PRO 30 2.235 5.080 5.654 258 H GLU 31 H GLU 31 2.065 8.527 7.641 259 HA GLU 31 HA GLU 31 2.071 9.731 10.334 260 HB2 GLU 31 2HB GLU 31 3.300 11.629 9.167 261 HB3 GLU 31 3HB GLU 31 4.133 10.078 9.174 262 HG2 GLU 31 2HG GLU 31 3.440 9.676 6.852 263 HG3 GLU 31 3HG GLU 31 2.574 11.212 6.832 264 H THR 32 H THR 32 0.675 10.269 7.093 265 HA THR 32 HA THR 32 -0.754 12.661 7.941 266 HB THR 32 HB THR 32 -1.004 11.280 5.234 267 HG1 THR 32 HG1 THR 32 1.220 11.645 5.766 268 HG21 THR 32 3HG2 THR 32 -2.590 13.141 5.644 269 HG22 THR 32 1HG2 THR 32 -1.410 13.573 4.406 270 HG23 THR 32 2HG2 THR 32 -1.239 14.205 6.044 271 H GLY 33 H GLY 33 -1.448 9.271 7.366 272 HA2 GLY 33 2HA GLY 33 -3.199 8.033 8.260 273 HA3 GLY 33 3HA GLY 33 -4.076 9.511 8.615 274 H LYS 34 H LYS 34 -3.011 9.646 5.446 275 HA LYS 34 HA LYS 34 -5.524 9.474 4.218 276 HB2 LYS 34 2HB LYS 34 -2.796 9.012 2.927 277 HB3 LYS 34 3HB LYS 34 -4.291 9.302 2.045 278 HG2 LYS 34 2HG LYS 34 -4.416 11.571 3.039 279 HG3 LYS 34 3HG LYS 34 -2.881 11.273 3.867 280 HD2 LYS 34 2HD LYS 34 -1.718 11.036 1.735 281 HD3 LYS 34 3HD LYS 34 -3.238 11.127 0.847 282 HE2 LYS 34 2HE LYS 34 -3.522 13.465 1.618 283 HE3 LYS 34 3HE LYS 34 -1.965 13.368 2.445 284 HZ1 LYS 34 3HZ LYS 34 -0.880 13.011 0.335 285 HZ2 LYS 34 1HZ LYS 34 -1.810 14.424 0.260 286 HZ3 LYS 34 2HZ LYS 34 -2.363 13.008 -0.479 287 H VAL 35 H VAL 35 -6.725 7.598 4.459 288 HA VAL 35 HA VAL 35 -5.617 5.029 3.518 289 HB VAL 35 HB VAL 35 -8.444 5.630 4.562 290 HG11 VAL 35 1HG1 VAL 35 -8.676 3.169 4.738 291 HG12 VAL 35 2HG1 VAL 35 -7.068 2.962 4.038 292 HG13 VAL 35 3HG1 VAL 35 -8.362 3.671 3.072 293 HG21 VAL 35 3HG2 VAL 35 -6.763 5.972 6.341 294 HG22 VAL 35 1HG2 VAL 35 -6.095 4.366 6.046 295 HG23 VAL 35 2HG2 VAL 35 -7.739 4.540 6.671 296 H GLU 36 H GLU 36 -5.555 4.893 1.345 297 HA GLU 36 HA GLU 36 -7.752 5.999 -0.290 298 HB2 GLU 36 2HB GLU 36 -5.851 7.658 -0.090 299 HB3 GLU 36 3HB GLU 36 -4.787 6.475 -0.850 300 HG2 GLU 36 2HG GLU 36 -6.127 6.544 -2.894 301 HG3 GLU 36 3HG GLU 36 -7.268 7.660 -2.140 302 H ILE 37 H ILE 37 -8.268 4.764 -2.040 303 HA ILE 37 HA ILE 37 -7.119 2.131 -2.294 304 HB ILE 37 HB ILE 37 -9.113 3.459 -4.201 305 HG12 ILE 37 2HG1 ILE 37 -9.758 1.773 -1.723 306 HG13 ILE 37 3HG1 ILE 37 -10.001 3.511 -1.863 307 HG21 ILE 37 1HG2 ILE 37 -9.761 1.135 -4.778 308 HG22 ILE 37 2HG2 ILE 37 -8.534 0.509 -3.676 309 HG23 ILE 37 3HG2 ILE 37 -8.052 1.425 -5.103 310 HD11 ILE 37 3HD1 ILE 37 -12.086 2.334 -2.133 311 HD12 ILE 37 1HD1 ILE 37 -11.423 1.388 -3.465 312 HD13 ILE 37 2HD1 ILE 37 -11.649 3.130 -3.644 313 H ALA 38 H ALA 38 -5.026 2.312 -2.982 314 HA ALA 38 HA ALA 38 -4.278 3.792 -5.376 315 HB1 ALA 38 3HB ALA 38 -2.011 3.058 -4.820 316 HB2 ALA 38 1HB ALA 38 -2.642 1.983 -3.574 317 HB3 ALA 38 2HB ALA 38 -2.812 3.732 -3.398 318 H GLU 39 H GLU 39 -3.209 2.785 -7.174 319 HA GLU 39 HA GLU 39 -4.176 0.065 -7.828 320 HB2 GLU 39 2HB GLU 39 -3.258 2.248 -9.754 321 HB3 GLU 39 3HB GLU 39 -4.020 0.715 -10.178 322 HG2 GLU 39 2HG GLU 39 -6.051 1.517 -8.839 323 HG3 GLU 39 3HG GLU 39 -5.282 3.099 -8.806 324 H ILE 40 H ILE 40 -2.678 -1.524 -8.032 325 HA ILE 40 HA ILE 40 0.045 -0.919 -7.272 326 HB ILE 40 HB ILE 40 -1.350 -3.585 -7.784 327 HG12 ILE 40 2HG1 ILE 40 -0.579 -2.152 -5.194 328 HG13 ILE 40 3HG1 ILE 40 -2.210 -2.337 -5.825 329 HG21 ILE 40 1HG2 ILE 40 1.063 -3.869 -8.190 330 HG22 ILE 40 2HG2 ILE 40 0.601 -4.672 -6.693 331 HG23 ILE 40 3HG2 ILE 40 1.441 -3.119 -6.639 332 HD11 ILE 40 3HD1 ILE 40 -2.055 -4.753 -5.469 333 HD12 ILE 40 1HD1 ILE 40 -1.801 -3.835 -3.984 334 HD13 ILE 40 2HD1 ILE 40 -0.424 -4.546 -4.823 335 H ARG 41 H ARG 41 1.515 -0.413 -8.672 336 HA ARG 41 HA ARG 41 1.401 -0.915 -11.507 337 HB2 ARG 41 2HB ARG 41 3.687 0.263 -9.853 338 HB3 ARG 41 3HB ARG 41 3.507 0.363 -11.602 339 HG2 ARG 41 2HG ARG 41 1.766 1.703 -9.518 340 HG3 ARG 41 3HG ARG 41 2.913 2.483 -10.608 341 HD2 ARG 41 2HD ARG 41 1.511 1.696 -12.538 342 HD3 ARG 41 3HD ARG 41 0.328 1.095 -11.368 343 HE ARG 41 HE ARG 41 0.979 3.852 -10.955 344 HH11 ARG 41 1HH1 ARG 41 -1.096 1.692 -12.794 345 HH12 ARG 41 2HH1 ARG 41 -2.200 2.952 -13.243 346 HH21 ARG 41 1HH2 ARG 41 -0.479 5.477 -11.537 347 HH22 ARG 41 2HH2 ARG 41 -1.856 5.094 -12.519 348 H ASN 42 H ASN 42 3.587 -1.857 -8.852 349 HA ASN 42 HA ASN 42 4.488 -4.233 -10.372 350 HB2 ASN 42 2HB ASN 42 6.305 -2.272 -8.890 351 HB3 ASN 42 3HB ASN 42 6.822 -3.854 -9.464 352 HD21 ASN 42 1HD2 ASN 42 5.979 -0.619 -10.382 353 HD22 ASN 42 2HD2 ASN 42 6.504 -0.730 -12.023 354 H VAL 43 H VAL 43 5.185 -5.963 -9.092 355 HA VAL 43 HA VAL 43 4.411 -5.918 -6.227 356 HB VAL 43 HB VAL 43 3.829 -8.308 -6.483 357 HG11 VAL 43 1HG1 VAL 43 2.063 -6.622 -6.848 358 HG12 VAL 43 2HG1 VAL 43 1.796 -8.046 -7.849 359 HG13 VAL 43 3HG1 VAL 43 2.448 -6.576 -8.574 360 HG21 VAL 43 3HG2 VAL 43 5.407 -8.938 -8.277 361 HG22 VAL 43 1HG2 VAL 43 4.507 -7.957 -9.441 362 HG23 VAL 43 2HG2 VAL 43 3.766 -9.387 -8.723 363 H VAL 44 H VAL 44 7.048 -5.702 -8.013 364 HA VAL 44 HA VAL 44 8.696 -7.883 -7.228 365 HB VAL 44 HB VAL 44 9.199 -6.666 -9.273 366 HG11 VAL 44 1HG1 VAL 44 8.408 -4.427 -8.693 367 HG12 VAL 44 2HG1 VAL 44 10.047 -4.359 -9.339 368 HG13 VAL 44 3HG1 VAL 44 9.779 -4.198 -7.603 369 HG21 VAL 44 3HG2 VAL 44 11.448 -6.256 -7.254 370 HG22 VAL 44 1HG2 VAL 44 11.634 -6.315 -9.008 371 HG23 VAL 44 2HG2 VAL 44 11.103 -7.749 -8.128 372 H GLU 45 H GLU 45 9.033 -8.251 -5.145 373 HA GLU 45 HA GLU 45 9.293 -6.471 -2.995 374 HB2 GLU 45 2HB GLU 45 8.913 -8.835 -2.585 375 HB3 GLU 45 3HB GLU 45 10.380 -9.282 -3.440 376 HG2 GLU 45 2HG GLU 45 10.798 -9.589 -1.119 377 HG3 GLU 45 3HG GLU 45 11.717 -8.182 -1.631 378 H ASN 46 H ASN 46 11.046 -5.456 -2.046 379 HA ASN 46 HA ASN 46 13.377 -4.896 -3.650 380 HB2 ASN 46 2HB ASN 46 12.823 -4.075 -0.769 381 HB3 ASN 46 3HB ASN 46 14.042 -3.384 -1.835 382 HD21 ASN 46 1HD2 ASN 46 12.063 -1.892 -0.518 383 HD22 ASN 46 2HD2 ASN 46 11.032 -1.185 -1.710 384 H THR 47 H THR 47 14.207 -6.981 -3.876 385 HA THR 47 HA THR 47 15.611 -8.175 -1.555 386 HB THR 47 HB THR 47 14.553 -9.520 -4.098 387 HG1 THR 47 HG1 THR 47 13.341 -10.643 -2.215 388 HG21 THR 47 3HG2 THR 47 15.159 -11.669 -3.049 389 HG22 THR 47 1HG2 THR 47 15.881 -10.811 -1.680 390 HG23 THR 47 2HG2 THR 47 16.592 -10.669 -3.287 391 H ALA 48 H ALA 48 17.789 -8.751 -1.899 392 HA ALA 48 HA ALA 48 19.357 -7.470 -3.903 393 HB1 ALA 48 3HB ALA 48 20.091 -9.800 -2.079 394 HB2 ALA 48 1HB ALA 48 20.296 -8.088 -1.702 395 HB3 ALA 48 2HB ALA 48 21.234 -8.821 -3.004 396 H ASN 49 H ASN 49 18.560 -7.998 -5.914 397 HA ASN 49 HA ASN 49 18.047 -9.085 -7.807 398 HB2 ASN 49 2HB ASN 49 20.154 -11.013 -6.763 399 HB3 ASN 49 3HB ASN 49 19.342 -11.272 -8.303 400 HD21 ASN 49 1HD2 ASN 49 21.450 -11.151 -9.233 401 HD22 ASN 49 2HD2 ASN 49 22.178 -9.619 -9.560 402 HA PRO 50 HA PRO 50 14.774 -11.762 -5.928 403 HB2 PRO 50 2HB PRO 50 12.985 -10.459 -7.904 404 HB3 PRO 50 3HB PRO 50 12.853 -10.505 -6.144 405 HG2 PRO 50 2HG PRO 50 13.488 -8.228 -7.485 406 HG3 PRO 50 3HG PRO 50 14.123 -8.580 -5.860 407 HD2 PRO 50 2HD PRO 50 15.478 -8.922 -8.546 408 HD3 PRO 50 3HD PRO 50 16.131 -8.243 -7.033 409 H HIS 51 H HIS 51 16.036 -13.484 -6.953 410 HA HIS 51 HA HIS 51 15.361 -14.156 -9.753 411 HB2 HIS 51 2HB HIS 51 17.282 -15.757 -9.615 412 HB3 HIS 51 3HB HIS 51 17.746 -14.086 -9.356 413 HD1 HIS 51 HD1 HIS 51 17.366 -17.359 -7.496 414 HD2 HIS 51 HD2 HIS 51 18.951 -13.567 -6.887 415 HE1 HIS 51 HE1 HIS 51 18.677 -17.509 -5.364 416 HE2 HIS 51 HE2 HIS 51 19.759 -15.252 -5.119 417 H PHE 52 H PHE 52 13.250 -14.855 -9.329 418 HA PHE 52 HA PHE 52 11.559 -16.296 -8.921 419 HB2 PHE 52 2HB PHE 52 13.796 -18.350 -9.151 420 HB3 PHE 52 3HB PHE 52 12.084 -18.755 -9.163 421 HD1 PHE 52 HD1 PHE 52 10.637 -18.070 -11.077 422 HD2 PHE 52 HD2 PHE 52 14.861 -17.383 -11.132 423 HE1 PHE 52 HE1 PHE 52 10.552 -17.694 -13.508 424 HE2 PHE 52 HE2 PHE 52 14.759 -17.010 -13.561 425 HZ PHE 52 HZ PHE 52 12.610 -17.165 -14.754 426 H VAL 53 H VAL 53 13.105 -15.252 -6.564 427 HA VAL 53 HA VAL 53 12.865 -17.172 -4.445 428 HB VAL 53 HB VAL 53 13.293 -15.336 -2.898 429 HG11 VAL 53 1HG1 VAL 53 14.989 -14.985 -5.404 430 HG12 VAL 53 2HG1 VAL 53 15.231 -16.195 -4.143 431 HG13 VAL 53 3HG1 VAL 53 15.445 -14.486 -3.769 432 HG21 VAL 53 3HG2 VAL 53 11.817 -13.585 -3.813 433 HG22 VAL 53 1HG2 VAL 53 12.874 -13.393 -5.213 434 HG23 VAL 53 2HG2 VAL 53 13.452 -12.956 -3.603 435 H ARG 54 H ARG 54 10.849 -14.705 -5.865 436 HA ARG 54 HA ARG 54 8.440 -16.136 -5.002 437 HB2 ARG 54 2HB ARG 54 8.705 -13.085 -4.972 438 HB3 ARG 54 3HB ARG 54 7.219 -13.980 -4.665 439 HG2 ARG 54 2HG ARG 54 8.152 -14.895 -2.606 440 HG3 ARG 54 3HG ARG 54 9.711 -14.143 -2.943 441 HD2 ARG 54 2HD ARG 54 8.508 -11.897 -2.854 442 HD3 ARG 54 3HD ARG 54 7.110 -12.776 -2.210 443 HE ARG 54 HE ARG 54 9.244 -13.562 -0.658 444 HH11 ARG 54 1HH1 ARG 54 7.586 -10.536 -1.283 445 HH12 ARG 54 2HH1 ARG 54 8.159 -9.788 0.176 446 HH21 ARG 54 1HH2 ARG 54 9.953 -12.591 1.254 447 HH22 ARG 54 2HH2 ARG 54 9.474 -10.965 1.627 448 H ARG 55 H ARG 55 6.689 -15.819 -6.573 449 HA ARG 55 HA ARG 55 7.568 -15.256 -9.298 450 HB2 ARG 55 2HB ARG 55 4.945 -16.282 -8.118 451 HB3 ARG 55 3HB ARG 55 5.148 -15.951 -9.839 452 HG2 ARG 55 2HG ARG 55 6.955 -17.610 -9.974 453 HG3 ARG 55 3HG ARG 55 6.824 -17.917 -8.244 454 HD2 ARG 55 2HD ARG 55 4.561 -18.409 -10.201 455 HD3 ARG 55 3HD ARG 55 5.739 -19.641 -9.742 456 HE ARG 55 HE ARG 55 4.704 -18.666 -7.370 457 HH11 ARG 55 1HH1 ARG 55 3.367 -20.270 -10.205 458 HH12 ARG 55 2HH1 ARG 55 2.156 -21.112 -9.294 459 HH21 ARG 55 1HH2 ARG 55 3.132 -19.797 -6.212 460 HH22 ARG 55 2HH2 ARG 55 2.016 -20.832 -7.042 461 H ASN 56 H ASN 56 5.449 -14.023 -10.534 462 HA ASN 56 HA ASN 56 5.534 -11.306 -9.473 463 HB2 ASN 56 2HB ASN 56 4.218 -12.418 -11.988 464 HB3 ASN 56 3HB ASN 56 4.201 -10.719 -11.545 465 HD21 ASN 56 1HD2 ASN 56 6.047 -13.273 -12.930 466 HD22 ASN 56 2HD2 ASN 56 7.446 -12.341 -13.324 467 H ILE 57 H ILE 57 4.464 -12.338 -7.527 468 HA ILE 57 HA ILE 57 1.600 -11.679 -7.556 469 HB ILE 57 HB ILE 57 1.448 -13.501 -5.635 470 HG12 ILE 57 2HG1 ILE 57 2.902 -15.544 -6.136 471 HG13 ILE 57 3HG1 ILE 57 3.907 -14.526 -7.155 472 HG21 ILE 57 1HG2 ILE 57 0.768 -15.226 -7.264 473 HG22 ILE 57 2HG2 ILE 57 1.576 -14.330 -8.553 474 HG23 ILE 57 3HG2 ILE 57 0.189 -13.622 -7.722 475 HD11 ILE 57 3HD1 ILE 57 4.547 -13.217 -5.182 476 HD12 ILE 57 1HD1 ILE 57 4.915 -14.930 -4.986 477 HD13 ILE 57 2HD1 ILE 57 3.511 -14.233 -4.176 478 H ILE 58 H ILE 58 0.846 -11.349 -5.243 479 HA ILE 58 HA ILE 58 2.660 -9.474 -3.861 480 HB ILE 58 HB ILE 58 -0.381 -9.782 -3.668 481 HG12 ILE 58 2HG1 ILE 58 1.220 -7.703 -5.242 482 HG13 ILE 58 3HG1 ILE 58 0.415 -9.094 -5.958 483 HG21 ILE 58 1HG2 ILE 58 -0.348 -7.551 -2.583 484 HG22 ILE 58 2HG2 ILE 58 1.416 -7.531 -2.661 485 HG23 ILE 58 3HG2 ILE 58 0.589 -8.725 -1.659 486 HD11 ILE 58 3HD1 ILE 58 -0.927 -6.812 -4.535 487 HD12 ILE 58 1HD1 ILE 58 -1.742 -8.204 -5.252 488 HD13 ILE 58 2HD1 ILE 58 -0.853 -7.076 -6.276 489 H THR 59 H THR 59 3.376 -9.986 -1.863 490 HA THR 59 HA THR 59 2.048 -12.112 -0.288 491 HB THR 59 HB THR 59 4.358 -12.636 0.641 492 HG1 THR 59 HG1 THR 59 5.809 -11.185 0.112 493 HG21 THR 59 3HG2 THR 59 4.014 -13.082 -2.351 494 HG22 THR 59 1HG2 THR 59 3.355 -14.101 -1.067 495 HG23 THR 59 2HG2 THR 59 5.099 -13.986 -1.292 496 H ARG 60 H ARG 60 2.251 -11.873 2.038 497 HA ARG 60 HA ARG 60 1.834 -9.148 2.863 498 HB2 ARG 60 2HB ARG 60 0.525 -11.037 3.802 499 HB3 ARG 60 3HB ARG 60 1.984 -11.668 4.563 500 HG2 ARG 60 2HG ARG 60 2.137 -9.691 5.996 501 HG3 ARG 60 3HG ARG 60 0.757 -8.953 5.174 502 HD2 ARG 60 2HD ARG 60 -0.651 -10.879 5.940 503 HD3 ARG 60 3HD ARG 60 0.730 -11.467 6.879 504 HE ARG 60 HE ARG 60 0.473 -8.935 7.764 505 HH11 ARG 60 1HH1 ARG 60 -1.879 -11.521 7.448 506 HH12 ARG 60 2HH1 ARG 60 -2.876 -10.924 8.729 507 HH21 ARG 60 1HH2 ARG 60 -0.845 -8.175 9.445 508 HH22 ARG 60 2HH2 ARG 60 -2.276 -9.053 9.880 509 H GLY 61 H GLY 61 3.266 -7.793 3.700 510 HA2 GLY 61 2HA GLY 61 5.191 -6.971 4.734 511 HA3 GLY 61 3HA GLY 61 5.846 -8.599 4.818 512 H ALA 62 H ALA 62 4.726 -8.103 1.699 513 HA ALA 62 HA ALA 62 7.379 -7.639 0.626 514 HB1 ALA 62 3HB ALA 62 4.733 -7.998 -0.815 515 HB2 ALA 62 1HB ALA 62 5.911 -9.269 -0.476 516 HB3 ALA 62 2HB ALA 62 6.324 -7.958 -1.583 517 H VAL 63 H VAL 63 7.874 -5.956 -0.904 518 HA VAL 63 HA VAL 63 6.411 -3.436 -0.456 519 HB VAL 63 HB VAL 63 9.090 -3.907 -1.856 520 HG11 VAL 63 1HG1 VAL 63 7.723 -1.285 -1.095 521 HG12 VAL 63 2HG1 VAL 63 7.927 -1.914 -2.733 522 HG13 VAL 63 3HG1 VAL 63 9.340 -1.445 -1.790 523 HG21 VAL 63 3HG2 VAL 63 10.102 -2.861 0.160 524 HG22 VAL 63 1HG2 VAL 63 9.258 -4.361 0.555 525 HG23 VAL 63 2HG2 VAL 63 8.514 -2.805 0.931 526 H VAL 64 H VAL 64 4.758 -3.229 -1.819 527 HA VAL 64 HA VAL 64 5.066 -3.902 -4.691 528 HB VAL 64 HB VAL 64 2.583 -3.787 -4.853 529 HG11 VAL 64 1HG1 VAL 64 2.064 -5.913 -3.735 530 HG12 VAL 64 2HG1 VAL 64 3.522 -5.773 -2.749 531 HG13 VAL 64 3HG1 VAL 64 3.653 -5.968 -4.498 532 HG21 VAL 64 3HG2 VAL 64 1.150 -3.754 -2.827 533 HG22 VAL 64 1HG2 VAL 64 2.064 -2.254 -2.991 534 HG23 VAL 64 2HG2 VAL 64 2.569 -3.469 -1.815 535 H GLU 65 H GLU 65 4.790 -2.257 -6.192 536 HA GLU 65 HA GLU 65 4.885 0.495 -5.133 537 HB2 GLU 65 2HB GLU 65 6.657 -0.157 -6.780 538 HB3 GLU 65 3HB GLU 65 5.406 -0.480 -7.982 539 HG2 GLU 65 2HG GLU 65 4.684 1.919 -7.788 540 HG3 GLU 65 3HG GLU 65 6.048 2.203 -6.705 541 H THR 66 H THR 66 3.318 1.959 -5.710 542 HA THR 66 HA THR 66 0.968 1.057 -7.250 543 HB THR 66 HB THR 66 -0.516 2.247 -5.659 544 HG1 THR 66 HG1 THR 66 1.621 2.528 -3.832 545 HG21 THR 66 3HG2 THR 66 -0.127 -0.153 -5.204 546 HG22 THR 66 1HG2 THR 66 -0.357 0.742 -3.700 547 HG23 THR 66 2HG2 THR 66 1.264 0.254 -4.197 548 H ASN 67 H ASN 67 -0.443 3.116 -7.681 549 HA ASN 67 HA ASN 67 0.895 5.012 -9.225 550 HB2 ASN 67 2HB ASN 67 -1.228 6.268 -9.259 551 HB3 ASN 67 3HB ASN 67 -1.515 4.547 -9.471 552 HD21 ASN 67 1HD2 ASN 67 -3.307 6.680 -8.531 553 HD22 ASN 67 2HD2 ASN 67 -3.889 6.156 -6.993 554 H LEU 68 H LEU 68 0.377 4.921 -5.773 555 HA LEU 68 HA LEU 68 0.946 7.732 -5.301 556 HB2 LEU 68 2HB LEU 68 0.691 5.403 -3.348 557 HB3 LEU 68 3HB LEU 68 0.736 7.105 -2.914 558 HG LEU 68 HG LEU 68 -1.495 5.697 -4.437 559 HD11 LEU 68 1HD1 LEU 68 -1.507 5.157 -2.050 560 HD12 LEU 68 2HD1 LEU 68 -2.888 6.167 -2.468 561 HD13 LEU 68 3HD1 LEU 68 -1.498 6.873 -1.638 562 HD21 LEU 68 3HD2 LEU 68 -1.243 7.973 -5.299 563 HD22 LEU 68 1HD2 LEU 68 -1.300 8.629 -3.660 564 HD23 LEU 68 2HD2 LEU 68 -2.719 7.838 -4.349 565 H GLY 69 H GLY 69 2.456 4.564 -4.768 566 HA2 GLY 69 2HA GLY 69 5.063 5.001 -5.363 567 HA3 GLY 69 3HA GLY 69 4.939 5.634 -3.719 568 H ASN 70 H ASN 70 6.500 3.885 -3.208 569 HA ASN 70 HA ASN 70 5.650 1.137 -3.407 570 HB2 ASN 70 2HB ASN 70 8.026 2.481 -2.075 571 HB3 ASN 70 3HB ASN 70 7.733 0.749 -1.944 572 HD21 ASN 70 1HD2 ASN 70 8.653 3.342 -4.101 573 HD22 ASN 70 2HD2 ASN 70 9.205 2.333 -5.391 574 H VAL 71 H VAL 71 4.909 -0.146 -1.818 575 HA VAL 71 HA VAL 71 3.930 1.033 0.707 576 HB VAL 71 HB VAL 71 2.327 -0.619 -1.327 577 HG11 VAL 71 1HG1 VAL 71 1.384 0.515 1.334 578 HG12 VAL 71 2HG1 VAL 71 1.628 -1.190 0.949 579 HG13 VAL 71 3HG1 VAL 71 0.362 -0.276 0.132 580 HG21 VAL 71 3HG2 VAL 71 2.598 1.701 -2.086 581 HG22 VAL 71 1HG2 VAL 71 1.976 2.309 -0.547 582 HG23 VAL 71 2HG2 VAL 71 0.926 1.396 -1.632 583 H ARG 72 H ARG 72 3.833 -0.432 2.415 584 HA ARG 72 HA ARG 72 4.919 -3.155 2.020 585 HB2 ARG 72 2HB ARG 72 4.785 -1.294 4.387 586 HB3 ARG 72 3HB ARG 72 4.682 -3.016 4.731 587 HG2 ARG 72 2HG ARG 72 6.918 -1.820 3.089 588 HG3 ARG 72 3HG ARG 72 7.006 -1.974 4.835 589 HD2 ARG 72 2HD ARG 72 6.914 -4.357 4.711 590 HD3 ARG 72 3HD ARG 72 6.466 -4.329 3.012 591 HE ARG 72 HE ARG 72 8.662 -4.454 2.568 592 HH11 ARG 72 1HH1 ARG 72 8.515 -2.631 5.601 593 HH12 ARG 72 2HH1 ARG 72 10.237 -2.462 5.683 594 HH21 ARG 72 1HH2 ARG 72 10.877 -4.208 2.737 595 HH22 ARG 72 2HH2 ARG 72 11.561 -3.335 4.070 596 H VAL 73 H VAL 73 3.550 -4.795 1.909 597 HA VAL 73 HA VAL 73 0.711 -4.474 2.155 598 HB VAL 73 HB VAL 73 2.334 -7.057 1.867 599 HG11 VAL 73 1HG1 VAL 73 0.036 -7.511 2.555 600 HG12 VAL 73 2HG1 VAL 73 0.265 -8.011 0.877 601 HG13 VAL 73 3HG1 VAL 73 -0.592 -6.510 1.248 602 HG21 VAL 73 3HG2 VAL 73 1.973 -6.856 -0.566 603 HG22 VAL 73 1HG2 VAL 73 2.894 -5.484 0.062 604 HG23 VAL 73 2HG2 VAL 73 1.183 -5.294 -0.331 605 H THR 74 H THR 74 -0.289 -4.400 4.120 606 HA THR 74 HA THR 74 1.166 -5.272 6.525 607 HB THR 74 HB THR 74 -0.589 -3.922 7.745 608 HG1 THR 74 HG1 THR 74 -1.719 -2.420 6.145 609 HG21 THR 74 3HG2 THR 74 1.564 -2.877 7.151 610 HG22 THR 74 1HG2 THR 74 0.244 -1.711 7.057 611 HG23 THR 74 2HG2 THR 74 0.910 -2.406 5.581 612 H SER 75 H SER 75 -1.692 -5.944 4.662 613 HA SER 75 HA SER 75 -2.611 -8.000 6.601 614 HB2 SER 75 2HB SER 75 -4.202 -6.092 6.213 615 HB3 SER 75 3HB SER 75 -4.238 -6.499 4.500 616 HG SER 75 HG SER 75 -5.473 -7.713 6.649 617 H ARG 76 H ARG 76 -4.178 -9.522 5.038 618 HA ARG 76 HA ARG 76 -2.442 -11.031 3.361 619 HB2 ARG 76 2HB ARG 76 -5.476 -11.141 3.678 620 HB3 ARG 76 3HB ARG 76 -4.490 -12.374 2.893 621 HG2 ARG 76 2HG ARG 76 -3.312 -12.764 5.066 622 HG3 ARG 76 3HG ARG 76 -4.393 -11.599 5.827 623 HD2 ARG 76 2HD ARG 76 -5.143 -13.884 6.261 624 HD3 ARG 76 3HD ARG 76 -6.327 -13.028 5.268 625 HE ARG 76 HE ARG 76 -5.083 -14.213 3.331 626 HH11 ARG 76 1HH1 ARG 76 -5.651 -15.658 6.481 627 HH12 ARG 76 2HH1 ARG 76 -5.706 -17.273 5.859 628 HH21 ARG 76 1HH2 ARG 76 -5.197 -16.356 2.535 629 HH22 ARG 76 2HH2 ARG 76 -5.461 -17.662 3.649 630 HA PRO 77 HA PRO 77 -3.385 -8.901 -0.557 631 HB2 PRO 77 2HB PRO 77 -2.304 -10.636 -2.323 632 HB3 PRO 77 3HB PRO 77 -1.291 -9.698 -1.218 633 HG2 PRO 77 2HG PRO 77 -2.217 -12.558 -0.955 634 HG3 PRO 77 3HG PRO 77 -0.588 -11.891 -0.714 635 HD2 PRO 77 2HD PRO 77 -2.318 -12.398 1.359 636 HD3 PRO 77 3HD PRO 77 -1.082 -11.120 1.425 637 H GLY 78 H GLY 78 -4.623 -9.244 -2.542 638 HA2 GLY 78 2HA GLY 78 -6.601 -9.678 -3.578 639 HA3 GLY 78 3HA GLY 78 -6.296 -11.361 -3.171 640 H GLN 79 H GLN 79 -7.152 -12.222 -1.315 641 HA GLN 79 HA GLN 79 -8.802 -12.887 -0.028 642 HB2 GLN 79 2HB GLN 79 -9.310 -11.593 1.995 643 HB3 GLN 79 3HB GLN 79 -7.594 -11.628 1.637 644 HG2 GLN 79 2HG GLN 79 -7.710 -9.311 0.825 645 HG3 GLN 79 3HG GLN 79 -9.436 -9.264 1.160 646 HE21 GLN 79 1HE2 GLN 79 -6.256 -9.152 2.543 647 HE22 GLN 79 2HE2 GLN 79 -6.719 -8.722 4.151 648 H ASP 80 H ASP 80 -9.987 -9.531 -0.665 649 HA ASP 80 HA ASP 80 -12.371 -10.613 -1.968 650 HB2 ASP 80 2HB ASP 80 -12.938 -10.434 0.471 651 HB3 ASP 80 3HB ASP 80 -12.502 -8.733 0.438 652 H GLY 81 H GLY 81 -10.216 -9.464 -3.161 653 HA2 GLY 81 2HA GLY 81 -9.473 -7.800 -4.554 654 HA3 GLY 81 3HA GLY 81 -11.113 -7.167 -4.545 655 H VAL 82 H VAL 82 -9.536 -7.469 -1.509 656 HA VAL 82 HA VAL 82 -8.944 -4.589 -1.379 657 HB VAL 82 HB VAL 82 -11.202 -4.760 -0.514 658 HG11 VAL 82 1HG1 VAL 82 -10.264 -6.919 1.411 659 HG12 VAL 82 2HG1 VAL 82 -11.309 -7.154 0.011 660 HG13 VAL 82 3HG1 VAL 82 -11.872 -6.191 1.375 661 HG21 VAL 82 3HG2 VAL 82 -10.928 -3.874 1.783 662 HG22 VAL 82 1HG2 VAL 82 -9.718 -3.210 0.689 663 HG23 VAL 82 2HG2 VAL 82 -9.268 -4.480 1.828 664 H ILE 83 H ILE 83 -6.803 -5.103 -1.470 665 HA ILE 83 HA ILE 83 -5.458 -6.570 0.683 666 HB ILE 83 HB ILE 83 -4.219 -4.710 -1.415 667 HG12 ILE 83 2HG1 ILE 83 -4.541 -7.741 -1.676 668 HG13 ILE 83 3HG1 ILE 83 -5.586 -6.585 -2.474 669 HG21 ILE 83 1HG2 ILE 83 -2.723 -5.255 0.477 670 HG22 ILE 83 2HG2 ILE 83 -2.139 -5.992 -1.011 671 HG23 ILE 83 3HG2 ILE 83 -2.965 -6.983 0.191 672 HD11 ILE 83 3HD1 ILE 83 -3.939 -7.440 -3.997 673 HD12 ILE 83 1HD1 ILE 83 -2.636 -6.915 -2.933 674 HD13 ILE 83 2HD1 ILE 83 -3.665 -5.718 -3.725 675 H ASN 84 H ASN 84 -4.319 -5.456 2.397 676 HA ASN 84 HA ASN 84 -4.696 -2.504 2.520 677 HB2 ASN 84 2HB ASN 84 -4.432 -4.412 4.884 678 HB3 ASN 84 3HB ASN 84 -4.651 -2.669 4.976 679 HD21 ASN 84 1HD2 ASN 84 -6.710 -1.794 4.438 680 HD22 ASN 84 2HD2 ASN 84 -8.131 -2.778 4.425 681 H GLY 85 H GLY 85 -2.960 -1.277 3.028 682 HA2 GLY 85 2HA GLY 85 -0.388 -2.435 3.773 683 HA3 GLY 85 3HA GLY 85 -0.471 -1.707 2.168 684 H VAL 86 H VAL 86 1.321 -0.556 3.706 685 HA VAL 86 HA VAL 86 0.116 2.061 4.395 686 HB VAL 86 HB VAL 86 1.961 2.416 6.093 687 HG11 VAL 86 1HG1 VAL 86 -0.303 1.864 6.837 688 HG12 VAL 86 2HG1 VAL 86 0.890 1.126 7.905 689 HG13 VAL 86 3HG1 VAL 86 0.048 0.136 6.713 690 HG21 VAL 86 3HG2 VAL 86 3.156 0.448 7.026 691 HG22 VAL 86 1HG2 VAL 86 3.574 0.709 5.333 692 HG23 VAL 86 2HG2 VAL 86 2.453 -0.580 5.774 693 H LEU 87 H LEU 87 1.119 3.842 3.554 694 HA LEU 87 HA LEU 87 2.843 3.454 1.307 695 HB2 LEU 87 2HB LEU 87 1.082 5.236 1.477 696 HB3 LEU 87 3HB LEU 87 2.061 6.050 2.682 697 HG LEU 87 HG LEU 87 3.829 6.473 1.014 698 HD11 LEU 87 1HD1 LEU 87 3.504 5.961 -1.380 699 HD12 LEU 87 2HD1 LEU 87 2.021 5.083 -0.998 700 HD13 LEU 87 3HD1 LEU 87 3.578 4.491 -0.411 701 HD21 LEU 87 3HD2 LEU 87 2.623 8.102 -0.391 702 HD22 LEU 87 1HD2 LEU 87 2.043 8.144 1.274 703 HD23 LEU 87 2HD2 LEU 87 1.087 7.338 0.030 704 H ILE 88 H ILE 88 4.896 2.876 1.653 705 HA ILE 88 HA ILE 88 6.465 4.049 3.848 706 HB ILE 88 HB ILE 88 8.132 2.295 3.425 707 HG12 ILE 88 2HG1 ILE 88 6.279 1.298 1.197 708 HG13 ILE 88 3HG1 ILE 88 7.805 2.122 0.926 709 HG21 ILE 88 1HG2 ILE 88 6.797 0.333 4.118 710 HG22 ILE 88 2HG2 ILE 88 5.317 1.156 3.629 711 HG23 ILE 88 3HG2 ILE 88 6.280 1.792 4.965 712 HD11 ILE 88 3HD1 ILE 88 8.083 -0.208 0.568 713 HD12 ILE 88 1HD1 ILE 88 7.402 -0.585 2.140 714 HD13 ILE 88 2HD1 ILE 88 8.956 0.227 2.034 715 H ARG 89 H ARG 89 8.755 4.478 3.334 716 HA ARG 89 HA ARG 89 9.211 5.704 0.678 717 HB2 ARG 89 2HB ARG 89 10.089 6.927 3.338 718 HB3 ARG 89 3HB ARG 89 10.316 7.615 1.733 719 HG2 ARG 89 2HG ARG 89 7.803 7.783 1.537 720 HG3 ARG 89 3HG ARG 89 7.695 7.281 3.222 721 HD2 ARG 89 2HD ARG 89 9.062 9.282 3.856 722 HD3 ARG 89 3HD ARG 89 9.032 9.794 2.163 723 HE ARG 89 HE ARG 89 6.419 9.323 3.310 724 HH11 ARG 89 1HH1 ARG 89 8.879 11.767 2.717 725 HH12 ARG 89 2HH1 ARG 89 7.792 13.087 3.005 726 HH21 ARG 89 1HH2 ARG 89 5.028 11.068 3.703 727 HH22 ARG 89 2HH2 ARG 89 5.623 12.688 3.576 728 H GLU 90 H GLU 90 9.921 3.097 2.012 729 HA GLU 90 HA GLU 90 12.680 2.848 2.480 730 HB2 GLU 90 2HB GLU 90 10.713 1.069 2.633 731 HB3 GLU 90 3HB GLU 90 11.083 0.744 0.952 732 HG2 GLU 90 2HG GLU 90 12.978 0.400 3.295 733 HG3 GLU 90 3HG GLU 90 12.121 -0.892 2.467 734 H LEU 91 H LEU 91 11.045 1.931 -0.571 735 HA LEU 91 HA LEU 91 12.973 3.574 -2.096 736 HB2 LEU 91 2HB LEU 91 10.894 1.557 -3.048 737 HB3 LEU 91 3HB LEU 91 11.876 2.549 -4.113 738 HG LEU 91 HG LEU 91 12.818 0.294 -2.313 739 HD11 LEU 91 1HD1 LEU 91 11.793 -0.431 -4.408 740 HD12 LEU 91 2HD1 LEU 91 13.524 -0.754 -4.416 741 HD13 LEU 91 3HD1 LEU 91 12.883 0.613 -5.331 742 HD21 LEU 91 3HD2 LEU 91 14.503 2.064 -2.180 743 HD22 LEU 91 1HD2 LEU 91 14.550 2.190 -3.942 744 HD23 LEU 91 2HD2 LEU 91 15.105 0.719 -3.141 745 H GLU 92 H GLU 92 12.290 5.627 -2.216 746 HA GLU 92 HA GLU 92 9.534 6.459 -2.153 747 HB2 GLU 92 2HB GLU 92 12.014 7.998 -3.046 748 HB3 GLU 92 3HB GLU 92 10.458 8.700 -2.595 749 HG2 GLU 92 2HG GLU 92 10.747 7.912 -0.285 750 HG3 GLU 92 3HG GLU 92 12.261 7.124 -0.724 751 H HIS 93 H HIS 93 8.334 7.317 -3.997 752 HA HIS 93 HA HIS 93 8.550 5.736 -6.344 753 HB2 HIS 93 2HB HIS 93 6.430 6.851 -5.352 754 HB3 HIS 93 3HB HIS 93 6.947 8.323 -6.165 755 HD1 HIS 93 HD1 HIS 93 6.485 4.672 -7.245 756 HD2 HIS 93 HD2 HIS 93 5.647 8.521 -8.559 757 HE1 HIS 93 HE1 HIS 93 5.201 4.394 -9.379 758 HE2 HIS 93 HE2 HIS 93 4.780 6.728 -10.203 759 H HIS 94 H HIS 94 10.380 5.931 -7.494 760 HA HIS 94 HA HIS 94 12.119 8.138 -7.358 761 HB2 HIS 94 2HB HIS 94 12.188 5.701 -9.170 762 HB3 HIS 94 3HB HIS 94 13.518 6.842 -8.999 763 HD1 HIS 94 HD1 HIS 94 12.605 3.658 -7.830 764 HD2 HIS 94 HD2 HIS 94 14.168 7.031 -5.969 765 HE1 HIS 94 HE1 HIS 94 13.681 2.833 -5.720 766 HE2 HIS 94 HE2 HIS 94 14.780 4.855 -4.726 767 H HIS 95 H HIS 95 11.910 10.009 -8.347 768 HA HIS 95 HA HIS 95 10.445 10.379 -10.834 769 HB2 HIS 95 2HB HIS 95 11.988 12.440 -9.191 770 HB3 HIS 95 3HB HIS 95 10.790 12.775 -10.440 771 HD1 HIS 95 HD1 HIS 95 8.310 12.620 -9.758 772 HD2 HIS 95 HD2 HIS 95 10.937 11.648 -6.692 773 HE1 HIS 95 HE1 HIS 95 6.923 12.531 -7.677 774 HE2 HIS 95 HE2 HIS 95 8.494 11.733 -5.888 775 H HIS 96 H HIS 96 11.344 10.694 -12.811 776 HA HIS 96 HA HIS 96 12.826 10.766 -14.508 777 HB2 HIS 96 2HB HIS 96 14.298 12.506 -12.498 778 HB3 HIS 96 3HB HIS 96 14.912 12.249 -14.127 779 HD1 HIS 96 HD1 HIS 96 14.489 14.337 -15.350 780 HD2 HIS 96 HD2 HIS 96 11.225 13.266 -13.013 781 HE1 HIS 96 HE1 HIS 96 12.712 16.034 -15.851 782 HE2 HIS 96 HE2 HIS 96 10.692 15.252 -14.581 783 H HIS 97 H HIS 97 12.893 8.393 -13.602 784 HA HIS 97 HA HIS 97 15.599 7.426 -13.907 785 HB2 HIS 97 2HB HIS 97 15.637 7.711 -11.488 786 HB3 HIS 97 3HB HIS 97 14.060 6.946 -11.315 787 HD1 HIS 97 HD1 HIS 97 14.173 4.580 -10.607 788 HD2 HIS 97 HD2 HIS 97 17.618 5.700 -12.634 789 HE1 HIS 97 HE1 HIS 97 15.634 2.550 -10.623 790 HE2 HIS 97 HE2 HIS 97 17.768 3.294 -11.714 791 H HIS 98 H HIS 98 15.466 5.736 -15.232 792 HA HIS 98 HA HIS 98 14.738 4.071 -16.543 793 HB2 HIS 98 2HB HIS 98 14.549 2.753 -14.474 794 HB3 HIS 98 3HB HIS 98 12.935 3.389 -14.171 795 HD1 HIS 98 HD1 HIS 98 10.994 2.379 -15.526 796 HD2 HIS 98 HD2 HIS 98 14.688 0.721 -16.444 797 HE1 HIS 98 HE1 HIS 98 10.491 0.336 -16.891 798 HE2 HIS 98 HE2 HIS 98 12.722 -0.768 -17.220 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -35.094 -41.257 -7.891 2 H2 GLY 1 2H GLY 1 -36.060 -40.955 -9.246 3 H3 GLY 1 3H GLY 1 -36.330 -40.107 -7.804 4 HA2 GLY 1 2HA GLY 1 -34.160 -39.056 -7.996 5 HA3 GLY 1 3HA GLY 1 -33.905 -39.927 -9.503 6 H ASP 2 H ASP 2 -35.239 -37.155 -8.042 7 HA ASP 2 HA ASP 2 -36.331 -36.195 -10.611 8 HB2 ASP 2 2HB ASP 2 -38.272 -36.935 -9.297 9 HB3 ASP 2 3HB ASP 2 -37.721 -36.025 -7.897 10 H ARG 3 H ARG 3 -35.058 -34.537 -11.101 11 HA ARG 3 HA ARG 3 -34.374 -32.511 -9.047 12 HB2 ARG 3 2HB ARG 3 -32.859 -33.591 -11.391 13 HB3 ARG 3 3HB ARG 3 -32.817 -31.844 -11.247 14 HG2 ARG 3 2HG ARG 3 -30.876 -32.836 -10.169 15 HG3 ARG 3 3HG ARG 3 -31.894 -32.027 -8.983 16 HD2 ARG 3 2HD ARG 3 -32.827 -34.231 -8.303 17 HD3 ARG 3 3HD ARG 3 -31.754 -35.022 -9.473 18 HE ARG 3 HE ARG 3 -30.411 -33.296 -7.574 19 HH11 ARG 3 1HH1 ARG 3 -31.458 -36.611 -8.143 20 HH12 ARG 3 2HH1 ARG 3 -30.360 -37.269 -6.975 21 HH21 ARG 3 1HH2 ARG 3 -28.981 -34.183 -6.074 22 HH22 ARG 3 2HH2 ARG 3 -28.942 -35.900 -5.826 23 H ARG 4 H ARG 4 -36.232 -31.376 -9.065 24 HA ARG 4 HA ARG 4 -37.411 -30.448 -11.613 25 HB2 ARG 4 2HB ARG 4 -38.759 -31.768 -9.901 26 HB3 ARG 4 3HB ARG 4 -38.648 -30.375 -8.833 27 HG2 ARG 4 2HG ARG 4 -39.992 -29.033 -10.305 28 HG3 ARG 4 3HG ARG 4 -39.852 -30.214 -11.609 29 HD2 ARG 4 2HD ARG 4 -41.365 -30.577 -9.001 30 HD3 ARG 4 3HD ARG 4 -42.068 -30.384 -10.615 31 HE ARG 4 HE ARG 4 -40.263 -32.674 -10.169 32 HH11 ARG 4 1HH1 ARG 4 -43.618 -31.612 -10.529 33 HH12 ARG 4 2HH1 ARG 4 -44.199 -33.216 -10.839 34 HH21 ARG 4 1HH2 ARG 4 -41.043 -34.717 -10.575 35 HH22 ARG 4 2HH2 ARG 4 -42.734 -34.982 -10.863 36 H VAL 5 H VAL 5 -35.851 -28.817 -11.969 37 HA VAL 5 HA VAL 5 -36.036 -26.419 -10.227 38 HB VAL 5 HB VAL 5 -33.504 -27.470 -11.595 39 HG11 VAL 5 1HG1 VAL 5 -33.508 -25.020 -11.614 40 HG12 VAL 5 2HG1 VAL 5 -32.312 -25.602 -10.457 41 HG13 VAL 5 3HG1 VAL 5 -33.861 -24.972 -9.885 42 HG21 VAL 5 3HG2 VAL 5 -32.604 -27.786 -9.308 43 HG22 VAL 5 1HG2 VAL 5 -34.049 -28.769 -9.569 44 HG23 VAL 5 2HG2 VAL 5 -34.149 -27.287 -8.620 45 H ARG 6 H ARG 6 -36.379 -24.559 -11.272 46 HA ARG 6 HA ARG 6 -36.306 -24.446 -14.227 47 HB2 ARG 6 2HB ARG 6 -37.665 -22.312 -13.905 48 HB3 ARG 6 3HB ARG 6 -38.475 -23.802 -13.447 49 HG2 ARG 6 2HG ARG 6 -38.142 -23.363 -11.096 50 HG3 ARG 6 3HG ARG 6 -37.122 -21.966 -11.453 51 HD2 ARG 6 2HD ARG 6 -40.066 -22.187 -12.176 52 HD3 ARG 6 3HD ARG 6 -39.435 -21.348 -10.754 53 HE ARG 6 HE ARG 6 -38.073 -20.074 -12.613 54 HH11 ARG 6 1HH1 ARG 6 -41.468 -20.970 -12.740 55 HH12 ARG 6 2HH1 ARG 6 -41.913 -19.609 -13.716 56 HH21 ARG 6 1HH2 ARG 6 -38.685 -18.273 -13.864 57 HH22 ARG 6 2HH2 ARG 6 -40.341 -18.071 -14.329 58 H LEU 7 H LEU 7 -34.842 -23.179 -15.230 59 HA LEU 7 HA LEU 7 -32.636 -22.085 -13.737 60 HB2 LEU 7 2HB LEU 7 -32.554 -23.289 -16.007 61 HB3 LEU 7 3HB LEU 7 -33.164 -21.821 -16.735 62 HG LEU 7 HG LEU 7 -30.540 -21.870 -15.183 63 HD11 LEU 7 1HD1 LEU 7 -29.363 -22.129 -17.344 64 HD12 LEU 7 2HD1 LEU 7 -30.912 -22.348 -18.162 65 HD13 LEU 7 3HD1 LEU 7 -30.363 -23.532 -16.977 66 HD21 LEU 7 3HD2 LEU 7 -31.443 -19.619 -15.572 67 HD22 LEU 7 1HD2 LEU 7 -31.581 -19.951 -17.302 68 HD23 LEU 7 2HD2 LEU 7 -29.991 -19.869 -16.539 69 H ILE 8 H ILE 8 -32.944 -20.179 -12.676 70 HA ILE 8 HA ILE 8 -34.510 -18.028 -13.966 71 HB ILE 8 HB ILE 8 -35.379 -18.652 -11.772 72 HG12 ILE 8 2HG1 ILE 8 -34.028 -15.914 -11.608 73 HG13 ILE 8 3HG1 ILE 8 -35.498 -16.240 -12.514 74 HG21 ILE 8 1HG2 ILE 8 -32.669 -17.926 -10.588 75 HG22 ILE 8 2HG2 ILE 8 -33.352 -19.550 -10.695 76 HG23 ILE 8 3HG2 ILE 8 -34.117 -18.339 -9.669 77 HD11 ILE 8 3HD1 ILE 8 -35.970 -15.154 -10.404 78 HD12 ILE 8 1HD1 ILE 8 -35.174 -16.455 -9.525 79 HD13 ILE 8 2HD1 ILE 8 -36.660 -16.780 -10.424 80 H ARG 9 H ARG 9 -33.395 -16.509 -14.932 81 HA ARG 9 HA ARG 9 -30.570 -16.118 -14.662 82 HB2 ARG 9 2HB ARG 9 -31.751 -15.806 -16.812 83 HB3 ARG 9 3HB ARG 9 -32.701 -14.496 -16.138 84 HG2 ARG 9 2HG ARG 9 -29.710 -14.181 -16.125 85 HG3 ARG 9 3HG ARG 9 -30.530 -14.065 -17.678 86 HD2 ARG 9 2HD ARG 9 -31.851 -12.188 -16.927 87 HD3 ARG 9 3HD ARG 9 -31.299 -12.402 -15.262 88 HE ARG 9 HE ARG 9 -28.986 -11.984 -16.566 89 HH11 ARG 9 1HH1 ARG 9 -31.985 -10.151 -16.735 90 HH12 ARG 9 2HH1 ARG 9 -31.181 -8.623 -16.896 91 HH21 ARG 9 1HH2 ARG 9 -27.958 -9.957 -16.746 92 HH22 ARG 9 2HH2 ARG 9 -28.916 -8.519 -16.911 93 H THR 10 H THR 10 -29.480 -14.664 -13.411 94 HA THR 10 HA THR 10 -30.770 -13.342 -11.252 95 HB THR 10 HB THR 10 -28.477 -12.324 -10.815 96 HG1 THR 10 HG1 THR 10 -26.844 -12.682 -12.169 97 HG21 THR 10 3HG2 THR 10 -27.392 -14.455 -10.212 98 HG22 THR 10 1HG2 THR 10 -28.536 -15.336 -11.234 99 HG23 THR 10 2HG2 THR 10 -29.106 -14.479 -9.801 100 H ARG 11 H ARG 11 -32.187 -11.786 -11.782 101 HA ARG 11 HA ARG 11 -31.833 -9.783 -13.775 102 HB2 ARG 11 2HB ARG 11 -33.782 -10.036 -11.447 103 HB3 ARG 11 3HB ARG 11 -33.809 -8.668 -12.559 104 HG2 ARG 11 2HG ARG 11 -34.299 -11.582 -13.253 105 HG3 ARG 11 3HG ARG 11 -35.488 -10.277 -13.216 106 HD2 ARG 11 2HD ARG 11 -33.193 -10.627 -15.175 107 HD3 ARG 11 3HD ARG 11 -34.920 -10.674 -15.518 108 HE ARG 11 HE ARG 11 -34.160 -8.158 -14.401 109 HH11 ARG 11 1HH1 ARG 11 -34.235 -9.921 -17.453 110 HH12 ARG 11 2HH1 ARG 11 -34.050 -8.479 -18.400 111 HH21 ARG 11 1HH2 ARG 11 -33.920 -6.311 -15.663 112 HH22 ARG 11 2HH2 ARG 11 -33.888 -6.445 -17.394 113 H GLY 12 H GLY 12 -29.925 -8.765 -13.487 114 HA2 GLY 12 2HA GLY 12 -29.737 -6.768 -11.354 115 HA3 GLY 12 3HA GLY 12 -28.481 -8.005 -11.375 116 H GLY 13 H GLY 13 -28.376 -5.088 -11.823 117 HA2 GLY 13 2HA GLY 13 -26.810 -5.123 -14.342 118 HA3 GLY 13 3HA GLY 13 -27.931 -3.806 -13.998 119 H ASN 14 H ASN 14 -27.629 -2.888 -11.676 120 HA ASN 14 HA ASN 14 -24.881 -2.008 -11.366 121 HB2 ASN 14 2HB ASN 14 -26.835 -0.462 -11.065 122 HB3 ASN 14 3HB ASN 14 -27.346 -1.391 -9.663 123 HD21 ASN 14 1HD2 ASN 14 -26.668 1.428 -9.814 124 HD22 ASN 14 2HD2 ASN 14 -25.371 1.688 -8.705 125 H THR 15 H THR 15 -23.802 -3.940 -10.797 126 HA THR 15 HA THR 15 -24.351 -4.987 -8.073 127 HB THR 15 HB THR 15 -23.168 -7.069 -8.768 128 HG1 THR 15 HG1 THR 15 -21.850 -6.280 -10.437 129 HG21 THR 15 3HG2 THR 15 -24.901 -7.978 -10.281 130 HG22 THR 15 1HG2 THR 15 -25.459 -6.339 -10.643 131 HG23 THR 15 2HG2 THR 15 -25.630 -6.996 -9.013 132 H LYS 16 H LYS 16 -23.081 -3.766 -6.778 133 HA LYS 16 HA LYS 16 -20.566 -2.650 -7.592 134 HB2 LYS 16 2HB LYS 16 -22.002 -2.723 -4.921 135 HB3 LYS 16 3HB LYS 16 -20.406 -2.009 -5.098 136 HG2 LYS 16 2HG LYS 16 -21.285 -0.361 -6.693 137 HG3 LYS 16 3HG LYS 16 -22.884 -1.096 -6.593 138 HD2 LYS 16 2HD LYS 16 -22.698 0.963 -5.201 139 HD3 LYS 16 3HD LYS 16 -23.097 -0.469 -4.247 140 HE2 LYS 16 2HE LYS 16 -21.425 0.937 -3.103 141 HE3 LYS 16 3HE LYS 16 -20.751 -0.643 -3.504 142 HZ1 LYS 16 3HZ LYS 16 -19.722 0.411 -5.476 143 HZ2 LYS 16 1HZ LYS 16 -19.167 1.052 -4.016 144 HZ3 LYS 16 2HZ LYS 16 -20.283 1.911 -4.944 145 H VAL 17 H VAL 17 -19.473 -4.549 -8.238 146 HA VAL 17 HA VAL 17 -18.536 -6.487 -6.304 147 HB VAL 17 HB VAL 17 -17.672 -5.956 -9.202 148 HG11 VAL 17 1HG1 VAL 17 -16.631 -8.206 -9.155 149 HG12 VAL 17 2HG1 VAL 17 -17.009 -8.343 -7.435 150 HG13 VAL 17 3HG1 VAL 17 -15.878 -7.112 -7.993 151 HG21 VAL 17 3HG2 VAL 17 -19.562 -8.080 -8.091 152 HG22 VAL 17 1HG2 VAL 17 -19.062 -7.931 -9.780 153 HG23 VAL 17 2HG2 VAL 17 -20.032 -6.665 -9.033 154 H ARG 18 H ARG 18 -16.471 -6.560 -5.420 155 HA ARG 18 HA ARG 18 -15.102 -4.141 -4.861 156 HB2 ARG 18 2HB ARG 18 -13.473 -5.599 -3.697 157 HB3 ARG 18 3HB ARG 18 -15.137 -5.946 -3.265 158 HG2 ARG 18 2HG ARG 18 -14.573 -7.755 -5.376 159 HG3 ARG 18 3HG ARG 18 -13.107 -7.738 -4.402 160 HD2 ARG 18 2HD ARG 18 -15.915 -8.392 -3.451 161 HD3 ARG 18 3HD ARG 18 -14.555 -9.507 -3.608 162 HE ARG 18 HE ARG 18 -13.534 -7.788 -1.860 163 HH11 ARG 18 1HH1 ARG 18 -16.728 -9.266 -1.839 164 HH12 ARG 18 2HH1 ARG 18 -16.899 -9.133 -0.118 165 HH21 ARG 18 1HH2 ARG 18 -13.795 -7.626 0.364 166 HH22 ARG 18 2HH2 ARG 18 -15.242 -8.204 1.129 167 H LEU 19 H LEU 19 -12.386 -4.593 -5.041 168 HA LEU 19 HA LEU 19 -11.942 -3.809 -7.787 169 HB2 LEU 19 2HB LEU 19 -9.514 -3.463 -6.917 170 HB3 LEU 19 3HB LEU 19 -10.803 -2.445 -6.314 171 HG LEU 19 HG LEU 19 -10.867 -4.079 -4.260 172 HD11 LEU 19 1HD1 LEU 19 -8.095 -4.751 -5.275 173 HD12 LEU 19 2HD1 LEU 19 -9.462 -5.859 -5.126 174 HD13 LEU 19 3HD1 LEU 19 -8.746 -5.153 -3.680 175 HD21 LEU 19 3HD2 LEU 19 -10.137 -1.744 -4.154 176 HD22 LEU 19 1HD2 LEU 19 -8.502 -2.229 -4.602 177 HD23 LEU 19 2HD2 LEU 19 -9.201 -2.772 -3.075 178 H ALA 20 H ALA 20 -12.718 -6.166 -8.259 179 HA ALA 20 HA ALA 20 -10.490 -8.022 -8.714 180 HB1 ALA 20 3HB ALA 20 -13.477 -8.342 -9.194 181 HB2 ALA 20 1HB ALA 20 -12.583 -8.937 -7.791 182 HB3 ALA 20 2HB ALA 20 -12.253 -9.598 -9.392 183 H SER 21 H SER 21 -12.467 -5.652 -10.264 184 HA SER 21 HA SER 21 -12.074 -6.344 -12.999 185 HB2 SER 21 2HB SER 21 -12.709 -3.865 -13.324 186 HB3 SER 21 3HB SER 21 -13.875 -4.852 -12.440 187 HG SER 21 HG SER 21 -13.553 -2.950 -11.297 188 H ASP 22 H ASP 22 -10.288 -4.396 -10.663 189 HA ASP 22 HA ASP 22 -7.828 -4.721 -12.194 190 HB2 ASP 22 2HB ASP 22 -8.750 -2.491 -12.904 191 HB3 ASP 22 3HB ASP 22 -8.795 -1.984 -11.218 192 H THR 23 H THR 23 -6.254 -5.342 -10.784 193 HA THR 23 HA THR 23 -6.874 -5.740 -8.035 194 HB THR 23 HB THR 23 -4.182 -6.071 -9.435 195 HG1 THR 23 HG1 THR 23 -6.449 -7.761 -9.139 196 HG21 THR 23 3HG2 THR 23 -5.217 -7.310 -6.840 197 HG22 THR 23 1HG2 THR 23 -3.968 -6.071 -6.951 198 HG23 THR 23 2HG2 THR 23 -3.676 -7.680 -7.615 199 H ARG 24 H ARG 24 -6.859 -4.205 -6.590 200 HA ARG 24 HA ARG 24 -4.766 -2.095 -6.547 201 HB2 ARG 24 2HB ARG 24 -7.741 -1.734 -5.992 202 HB3 ARG 24 3HB ARG 24 -6.516 -0.480 -5.827 203 HG2 ARG 24 2HG ARG 24 -6.083 -0.539 -8.234 204 HG3 ARG 24 3HG ARG 24 -7.221 -1.868 -8.434 205 HD2 ARG 24 2HD ARG 24 -9.064 -0.379 -7.685 206 HD3 ARG 24 3HD ARG 24 -7.904 0.951 -7.542 207 HE ARG 24 HE ARG 24 -7.723 -0.123 -10.131 208 HH11 ARG 24 1HH1 ARG 24 -9.964 1.787 -8.213 209 HH12 ARG 24 2HH1 ARG 24 -10.674 2.546 -9.597 210 HH21 ARG 24 1HH2 ARG 24 -8.694 0.896 -11.936 211 HH22 ARG 24 2HH2 ARG 24 -9.960 2.055 -11.686 212 H ILE 25 H ILE 25 -5.058 -0.855 -4.329 213 HA ILE 25 HA ILE 25 -5.221 -2.702 -2.057 214 HB ILE 25 HB ILE 25 -2.918 -3.045 -2.896 215 HG12 ILE 25 2HG1 ILE 25 -2.834 -1.337 -0.358 216 HG13 ILE 25 3HG1 ILE 25 -3.255 -3.042 -0.403 217 HG21 ILE 25 1HG2 ILE 25 -1.259 -1.214 -3.022 218 HG22 ILE 25 2HG2 ILE 25 -2.507 -0.043 -2.595 219 HG23 ILE 25 3HG2 ILE 25 -2.612 -0.923 -4.120 220 HD11 ILE 25 3HD1 ILE 25 -0.980 -3.566 -1.187 221 HD12 ILE 25 1HD1 ILE 25 -0.994 -2.730 0.368 222 HD13 ILE 25 2HD1 ILE 25 -0.568 -1.851 -1.097 223 H ASN 26 H ASN 26 -5.437 -1.588 -0.055 224 HA ASN 26 HA ASN 26 -6.074 1.281 -0.240 225 HB2 ASN 26 2HB ASN 26 -6.449 -0.693 2.060 226 HB3 ASN 26 3HB ASN 26 -6.916 1.005 2.105 227 HD21 ASN 26 1HD2 ASN 26 -7.658 -2.122 0.809 228 HD22 ASN 26 2HD2 ASN 26 -9.219 -1.705 0.192 229 H VAL 27 H VAL 27 -4.272 2.464 -0.184 230 HA VAL 27 HA VAL 27 -1.938 1.755 1.395 231 HB VAL 27 HB VAL 27 -2.450 4.070 -0.538 232 HG11 VAL 27 1HG1 VAL 27 0.171 3.169 0.712 233 HG12 VAL 27 2HG1 VAL 27 -0.696 4.663 1.069 234 HG13 VAL 27 3HG1 VAL 27 -0.003 4.412 -0.533 235 HG21 VAL 27 3HG2 VAL 27 -1.061 2.783 -2.133 236 HG22 VAL 27 1HG2 VAL 27 -2.513 1.897 -1.668 237 HG23 VAL 27 2HG2 VAL 27 -0.952 1.457 -0.971 238 H VAL 28 H VAL 28 -1.990 2.352 3.474 239 HA VAL 28 HA VAL 28 -3.389 4.799 4.330 240 HB VAL 28 HB VAL 28 -2.100 2.660 6.103 241 HG11 VAL 28 1HG1 VAL 28 -4.139 4.813 6.764 242 HG12 VAL 28 2HG1 VAL 28 -2.439 4.796 7.238 243 HG13 VAL 28 3HG1 VAL 28 -3.543 3.582 7.883 244 HG21 VAL 28 3HG2 VAL 28 -4.353 1.707 6.448 245 HG22 VAL 28 1HG2 VAL 28 -3.835 1.578 4.764 246 HG23 VAL 28 2HG2 VAL 28 -5.007 2.809 5.234 247 H ASP 29 H ASP 29 -1.999 6.440 3.839 248 HA ASP 29 HA ASP 29 0.709 6.738 4.328 249 HB2 ASP 29 2HB ASP 29 -1.591 8.722 4.620 250 HB3 ASP 29 3HB ASP 29 0.092 9.193 4.813 251 HA PRO 30 HA PRO 30 0.314 5.791 8.784 252 HB2 PRO 30 2HB PRO 30 2.976 5.585 9.404 253 HB3 PRO 30 3HB PRO 30 2.102 4.321 8.527 254 HG2 PRO 30 2HG PRO 30 3.853 6.522 7.433 255 HG3 PRO 30 3HG PRO 30 3.854 4.789 7.032 256 HD2 PRO 30 2HD PRO 30 2.608 6.608 5.457 257 HD3 PRO 30 3HD PRO 30 1.954 4.968 5.672 258 H GLU 31 H GLU 31 2.061 8.492 7.434 259 HA GLU 31 HA GLU 31 2.618 9.822 9.943 260 HB2 GLU 31 2HB GLU 31 2.824 10.819 7.074 261 HB3 GLU 31 3HB GLU 31 3.495 11.626 8.486 262 HG2 GLU 31 2HG GLU 31 5.079 9.809 8.846 263 HG3 GLU 31 3HG GLU 31 4.323 8.855 7.572 264 H THR 32 H THR 32 0.465 10.474 7.160 265 HA THR 32 HA THR 32 -1.009 12.531 8.644 266 HB THR 32 HB THR 32 -2.184 12.882 6.417 267 HG1 THR 32 HG1 THR 32 -1.576 11.687 4.689 268 HG21 THR 32 3HG2 THR 32 -0.258 13.933 5.289 269 HG22 THR 32 1HG2 THR 32 0.858 13.033 6.323 270 HG23 THR 32 2HG2 THR 32 -0.207 14.253 7.024 271 H GLY 33 H GLY 33 -1.353 9.187 8.130 272 HA2 GLY 33 2HA GLY 33 -2.952 7.737 8.944 273 HA3 GLY 33 3HA GLY 33 -3.953 9.104 9.399 274 H LYS 34 H LYS 34 -3.167 9.549 6.211 275 HA LYS 34 HA LYS 34 -5.908 9.223 5.441 276 HB2 LYS 34 2HB LYS 34 -3.463 10.103 3.865 277 HB3 LYS 34 3HB LYS 34 -5.112 10.195 3.256 278 HG2 LYS 34 2HG LYS 34 -4.127 11.605 5.750 279 HG3 LYS 34 3HG LYS 34 -4.263 12.360 4.164 280 HD2 LYS 34 2HD LYS 34 -6.676 12.081 4.150 281 HD3 LYS 34 3HD LYS 34 -6.618 11.107 5.623 282 HE2 LYS 34 2HE LYS 34 -5.788 14.022 5.477 283 HE3 LYS 34 3HE LYS 34 -7.390 13.469 5.969 284 HZ1 LYS 34 3HZ LYS 34 -4.830 12.825 7.331 285 HZ2 LYS 34 1HZ LYS 34 -6.353 12.242 7.785 286 HZ3 LYS 34 2HZ LYS 34 -6.017 13.894 7.876 287 H VAL 35 H VAL 35 -6.873 7.551 4.496 288 HA VAL 35 HA VAL 35 -5.284 5.389 3.220 289 HB VAL 35 HB VAL 35 -8.244 5.257 4.014 290 HG11 VAL 35 1HG1 VAL 35 -7.906 2.809 3.944 291 HG12 VAL 35 2HG1 VAL 35 -6.227 3.047 3.456 292 HG13 VAL 35 3HG1 VAL 35 -7.536 3.562 2.391 293 HG21 VAL 35 3HG2 VAL 35 -5.875 4.406 5.729 294 HG22 VAL 35 1HG2 VAL 35 -7.572 4.076 6.087 295 HG23 VAL 35 2HG2 VAL 35 -6.982 5.737 6.063 296 H GLU 36 H GLU 36 -5.486 5.037 1.042 297 HA GLU 36 HA GLU 36 -7.899 5.858 -0.424 298 HB2 GLU 36 2HB GLU 36 -6.392 7.772 -0.741 299 HB3 GLU 36 3HB GLU 36 -5.070 6.707 -1.186 300 HG2 GLU 36 2HG GLU 36 -5.899 7.775 -3.176 301 HG3 GLU 36 3HG GLU 36 -6.318 6.065 -3.254 302 H ILE 37 H ILE 37 -8.319 4.576 -2.204 303 HA ILE 37 HA ILE 37 -6.985 2.013 -2.403 304 HB ILE 37 HB ILE 37 -9.157 3.171 -4.228 305 HG12 ILE 37 2HG1 ILE 37 -9.554 1.385 -1.773 306 HG13 ILE 37 3HG1 ILE 37 -9.874 3.113 -1.805 307 HG21 ILE 37 1HG2 ILE 37 -8.290 0.285 -3.752 308 HG22 ILE 37 2HG2 ILE 37 -7.973 1.237 -5.203 309 HG23 ILE 37 3HG2 ILE 37 -9.627 0.794 -4.787 310 HD11 ILE 37 3HD1 ILE 37 -11.301 1.009 -3.414 311 HD12 ILE 37 1HD1 ILE 37 -11.604 2.744 -3.503 312 HD13 ILE 37 2HD1 ILE 37 -11.917 1.869 -2.003 313 H ALA 38 H ALA 38 -4.921 2.313 -3.211 314 HA ALA 38 HA ALA 38 -4.433 3.831 -5.662 315 HB1 ALA 38 3HB ALA 38 -2.071 3.376 -5.245 316 HB2 ALA 38 1HB ALA 38 -2.495 2.287 -3.919 317 HB3 ALA 38 2HB ALA 38 -2.842 4.011 -3.790 318 H GLU 39 H GLU 39 -3.343 2.894 -7.453 319 HA GLU 39 HA GLU 39 -4.343 0.212 -8.155 320 HB2 GLU 39 2HB GLU 39 -3.085 2.325 -9.959 321 HB3 GLU 39 3HB GLU 39 -3.929 0.866 -10.471 322 HG2 GLU 39 2HG GLU 39 -6.052 1.756 -9.617 323 HG3 GLU 39 3HG GLU 39 -5.223 3.196 -9.021 324 H ILE 40 H ILE 40 -2.916 -1.481 -8.184 325 HA ILE 40 HA ILE 40 -0.181 -1.037 -7.390 326 HB ILE 40 HB ILE 40 -1.519 -3.663 -8.199 327 HG12 ILE 40 2HG1 ILE 40 -1.207 -2.428 -5.413 328 HG13 ILE 40 3HG1 ILE 40 -2.714 -2.524 -6.314 329 HG21 ILE 40 1HG2 ILE 40 0.297 -4.740 -6.879 330 HG22 ILE 40 2HG2 ILE 40 1.018 -3.159 -6.576 331 HG23 ILE 40 3HG2 ILE 40 0.956 -3.800 -8.219 332 HD11 ILE 40 3HD1 ILE 40 -2.617 -4.198 -4.592 333 HD12 ILE 40 1HD1 ILE 40 -1.128 -4.862 -5.269 334 HD13 ILE 40 2HD1 ILE 40 -2.636 -4.957 -6.182 335 H ARG 41 H ARG 41 1.280 -0.401 -8.822 336 HA ARG 41 HA ARG 41 1.157 -0.818 -11.657 337 HB2 ARG 41 2HB ARG 41 3.281 0.387 -9.846 338 HB3 ARG 41 3HB ARG 41 3.441 0.311 -11.597 339 HG2 ARG 41 2HG ARG 41 1.410 1.725 -11.826 340 HG3 ARG 41 3HG ARG 41 1.316 1.852 -10.069 341 HD2 ARG 41 2HD ARG 41 2.428 3.826 -11.199 342 HD3 ARG 41 3HD ARG 41 3.411 3.034 -9.957 343 HE ARG 41 HE ARG 41 4.569 1.853 -11.821 344 HH11 ARG 41 1HH1 ARG 41 3.091 4.984 -12.475 345 HH12 ARG 41 2HH1 ARG 41 4.050 5.252 -13.892 346 HH21 ARG 41 1HH2 ARG 41 5.805 2.227 -13.646 347 HH22 ARG 41 2HH2 ARG 41 5.576 3.681 -14.572 348 H ASN 42 H ASN 42 3.352 -1.888 -9.056 349 HA ASN 42 HA ASN 42 4.301 -4.140 -10.732 350 HB2 ASN 42 2HB ASN 42 5.941 -2.253 -10.925 351 HB3 ASN 42 3HB ASN 42 6.107 -2.233 -9.171 352 HD21 ASN 42 1HD2 ASN 42 8.299 -2.747 -9.136 353 HD22 ASN 42 2HD2 ASN 42 8.922 -4.273 -9.660 354 H VAL 43 H VAL 43 4.901 -5.989 -9.558 355 HA VAL 43 HA VAL 43 4.471 -5.965 -6.617 356 HB VAL 43 HB VAL 43 3.469 -8.170 -6.716 357 HG11 VAL 43 1HG1 VAL 43 2.168 -6.419 -8.830 358 HG12 VAL 43 2HG1 VAL 43 1.906 -6.318 -7.090 359 HG13 VAL 43 3HG1 VAL 43 1.388 -7.753 -7.975 360 HG21 VAL 43 3HG2 VAL 43 3.068 -9.402 -8.826 361 HG22 VAL 43 1HG2 VAL 43 4.791 -9.177 -8.533 362 HG23 VAL 43 2HG2 VAL 43 3.959 -8.174 -9.725 363 H VAL 44 H VAL 44 6.589 -6.826 -9.238 364 HA VAL 44 HA VAL 44 7.810 -9.079 -7.974 365 HB VAL 44 HB VAL 44 7.789 -8.944 -10.416 366 HG11 VAL 44 1HG1 VAL 44 9.771 -6.647 -10.217 367 HG12 VAL 44 2HG1 VAL 44 8.127 -6.572 -10.846 368 HG13 VAL 44 3HG1 VAL 44 9.349 -7.508 -11.696 369 HG21 VAL 44 3HG2 VAL 44 9.458 -10.380 -9.357 370 HG22 VAL 44 1HG2 VAL 44 10.614 -9.048 -9.299 371 HG23 VAL 44 2HG2 VAL 44 10.097 -9.706 -10.853 372 H GLU 45 H GLU 45 8.434 -8.503 -6.004 373 HA GLU 45 HA GLU 45 10.370 -6.397 -5.424 374 HB2 GLU 45 2HB GLU 45 8.214 -7.301 -4.049 375 HB3 GLU 45 3HB GLU 45 9.390 -8.413 -3.380 376 HG2 GLU 45 2HG GLU 45 9.677 -5.399 -3.299 377 HG3 GLU 45 3HG GLU 45 8.910 -6.337 -2.028 378 H ASN 46 H ASN 46 12.406 -7.063 -4.190 379 HA ASN 46 HA ASN 46 13.766 -9.251 -5.404 380 HB2 ASN 46 2HB ASN 46 14.928 -7.167 -4.575 381 HB3 ASN 46 3HB ASN 46 14.665 -7.709 -2.923 382 HD21 ASN 46 1HD2 ASN 46 17.160 -7.181 -4.314 383 HD22 ASN 46 2HD2 ASN 46 18.093 -8.634 -4.241 384 H THR 47 H THR 47 12.413 -10.996 -4.998 385 HA THR 47 HA THR 47 12.670 -12.223 -2.318 386 HB THR 47 HB THR 47 10.318 -11.765 -2.654 387 HG1 THR 47 HG1 THR 47 10.970 -13.875 -1.840 388 HG21 THR 47 3HG2 THR 47 10.228 -11.506 -5.100 389 HG22 THR 47 1HG2 THR 47 8.999 -12.639 -4.544 390 HG23 THR 47 2HG2 THR 47 10.474 -13.242 -5.307 391 H ALA 48 H ALA 48 14.089 -13.800 -2.359 392 HA ALA 48 HA ALA 48 15.575 -15.381 -2.980 393 HB1 ALA 48 3HB ALA 48 13.545 -16.725 -3.341 394 HB2 ALA 48 1HB ALA 48 14.798 -17.176 -4.498 395 HB3 ALA 48 2HB ALA 48 13.446 -16.157 -5.007 396 H ASN 49 H ASN 49 15.624 -12.717 -4.309 397 HA ASN 49 HA ASN 49 16.416 -11.491 -5.999 398 HB2 ASN 49 2HB ASN 49 18.244 -13.884 -6.397 399 HB3 ASN 49 3HB ASN 49 18.461 -12.337 -7.217 400 HD21 ASN 49 1HD2 ASN 49 19.038 -10.499 -5.947 401 HD22 ASN 49 2HD2 ASN 49 19.803 -10.684 -4.408 402 HA PRO 50 HA PRO 50 13.377 -13.245 -8.941 403 HB2 PRO 50 2HB PRO 50 12.825 -10.843 -10.238 404 HB3 PRO 50 3HB PRO 50 12.064 -11.369 -8.734 405 HG2 PRO 50 2HG PRO 50 14.399 -9.510 -9.118 406 HG3 PRO 50 3HG PRO 50 13.001 -9.345 -8.030 407 HD2 PRO 50 2HD PRO 50 15.383 -10.182 -7.110 408 HD3 PRO 50 3HD PRO 50 13.872 -10.879 -6.480 409 H HIS 51 H HIS 51 14.030 -14.405 -10.625 410 HA HIS 51 HA HIS 51 15.603 -13.217 -12.801 411 HB2 HIS 51 2HB HIS 51 17.194 -15.096 -12.859 412 HB3 HIS 51 3HB HIS 51 17.283 -14.278 -11.309 413 HD1 HIS 51 HD1 HIS 51 16.615 -17.564 -12.853 414 HD2 HIS 51 HD2 HIS 51 16.206 -15.842 -9.103 415 HE1 HIS 51 HE1 HIS 51 16.228 -19.465 -11.279 416 HE2 HIS 51 HE2 HIS 51 16.036 -18.410 -9.008 417 H PHE 52 H PHE 52 14.143 -13.364 -14.379 418 HA PHE 52 HA PHE 52 12.639 -14.110 -15.889 419 HB2 PHE 52 2HB PHE 52 14.626 -15.584 -16.437 420 HB3 PHE 52 3HB PHE 52 13.934 -16.829 -15.409 421 HD1 PHE 52 HD1 PHE 52 12.799 -14.649 -18.277 422 HD2 PHE 52 HD2 PHE 52 12.856 -18.580 -16.571 423 HE1 PHE 52 HE1 PHE 52 11.572 -15.523 -20.222 424 HE2 PHE 52 HE2 PHE 52 11.629 -19.437 -18.522 425 HZ PHE 52 HZ PHE 52 10.987 -17.913 -20.349 426 H VAL 53 H VAL 53 11.796 -13.985 -13.136 427 HA VAL 53 HA VAL 53 10.214 -16.332 -12.517 428 HB VAL 53 HB VAL 53 11.344 -15.190 -10.680 429 HG11 VAL 53 1HG1 VAL 53 10.695 -12.961 -9.863 430 HG12 VAL 53 2HG1 VAL 53 9.627 -12.748 -11.253 431 HG13 VAL 53 3HG1 VAL 53 11.371 -12.884 -11.489 432 HG21 VAL 53 3HG2 VAL 53 8.324 -14.907 -10.404 433 HG22 VAL 53 1HG2 VAL 53 9.482 -14.984 -9.069 434 HG23 VAL 53 2HG2 VAL 53 9.263 -16.374 -10.129 435 H ARG 54 H ARG 54 8.349 -16.664 -13.536 436 HA ARG 54 HA ARG 54 6.519 -14.424 -14.173 437 HB2 ARG 54 2HB ARG 54 7.119 -16.047 -16.028 438 HB3 ARG 54 3HB ARG 54 6.351 -17.329 -15.100 439 HG2 ARG 54 2HG ARG 54 4.744 -16.684 -16.721 440 HG3 ARG 54 3HG ARG 54 4.198 -15.941 -15.219 441 HD2 ARG 54 2HD ARG 54 5.719 -14.527 -17.444 442 HD3 ARG 54 3HD ARG 54 3.981 -14.426 -17.172 443 HE ARG 54 HE ARG 54 4.554 -13.386 -14.967 444 HH11 ARG 54 1HH1 ARG 54 6.833 -13.109 -17.632 445 HH12 ARG 54 2HH1 ARG 54 7.540 -11.651 -17.018 446 HH21 ARG 54 1HH2 ARG 54 5.495 -11.484 -14.194 447 HH22 ARG 54 2HH2 ARG 54 6.781 -10.728 -15.078 448 H ARG 55 H ARG 55 5.860 -14.078 -12.055 449 HA ARG 55 HA ARG 55 3.785 -15.766 -11.000 450 HB2 ARG 55 2HB ARG 55 5.846 -17.003 -10.261 451 HB3 ARG 55 3HB ARG 55 6.395 -15.564 -9.423 452 HG2 ARG 55 2HG ARG 55 5.459 -17.178 -7.860 453 HG3 ARG 55 3HG ARG 55 4.484 -15.709 -7.890 454 HD2 ARG 55 2HD ARG 55 2.772 -16.797 -9.216 455 HD3 ARG 55 3HD ARG 55 3.790 -18.228 -9.434 456 HE ARG 55 HE ARG 55 3.603 -18.109 -6.770 457 HH11 ARG 55 1HH1 ARG 55 1.005 -17.830 -9.136 458 HH12 ARG 55 2HH1 ARG 55 -0.127 -18.701 -8.151 459 HH21 ARG 55 1HH2 ARG 55 2.110 -19.242 -5.515 460 HH22 ARG 55 2HH2 ARG 55 0.500 -19.504 -6.105 461 H ASN 56 H ASN 56 2.475 -14.009 -10.894 462 HA ASN 56 HA ASN 56 3.330 -11.473 -9.705 463 HB2 ASN 56 2HB ASN 56 1.874 -11.651 -11.829 464 HB3 ASN 56 3HB ASN 56 0.572 -12.226 -10.807 465 HD21 ASN 56 1HD2 ASN 56 -0.407 -10.710 -9.340 466 HD22 ASN 56 2HD2 ASN 56 -0.222 -9.005 -9.557 467 H ILE 57 H ILE 57 3.633 -13.188 -7.740 468 HA ILE 57 HA ILE 57 1.145 -13.392 -6.185 469 HB ILE 57 HB ILE 57 2.557 -15.460 -6.380 470 HG12 ILE 57 2HG1 ILE 57 2.474 -16.074 -3.952 471 HG13 ILE 57 3HG1 ILE 57 2.228 -14.385 -3.533 472 HG21 ILE 57 1HG2 ILE 57 4.594 -13.981 -4.672 473 HG22 ILE 57 2HG2 ILE 57 4.809 -14.468 -6.355 474 HG23 ILE 57 3HG2 ILE 57 4.645 -15.694 -5.097 475 HD11 ILE 57 3HD1 ILE 57 0.089 -14.415 -4.744 476 HD12 ILE 57 1HD1 ILE 57 0.149 -15.630 -3.471 477 HD13 ILE 57 2HD1 ILE 57 0.358 -16.111 -5.152 478 H ILE 58 H ILE 58 0.715 -11.856 -4.830 479 HA ILE 58 HA ILE 58 2.767 -10.079 -3.715 480 HB ILE 58 HB ILE 58 -0.290 -9.971 -3.470 481 HG12 ILE 58 2HG1 ILE 58 1.578 -8.404 -5.321 482 HG13 ILE 58 3HG1 ILE 58 0.479 -9.676 -5.825 483 HG21 ILE 58 1HG2 ILE 58 0.040 -7.643 -2.681 484 HG22 ILE 58 2HG2 ILE 58 1.792 -7.858 -2.755 485 HG23 ILE 58 3HG2 ILE 58 0.834 -8.797 -1.607 486 HD11 ILE 58 3HD1 ILE 58 -0.374 -7.502 -6.400 487 HD12 ILE 58 1HD1 ILE 58 -0.300 -6.990 -4.715 488 HD13 ILE 58 2HD1 ILE 58 -1.420 -8.263 -5.204 489 H THR 59 H THR 59 3.446 -10.312 -1.629 490 HA THR 59 HA THR 59 2.173 -12.403 0.058 491 HB THR 59 HB THR 59 4.461 -12.837 0.991 492 HG1 THR 59 HG1 THR 59 5.616 -11.414 -1.150 493 HG21 THR 59 3HG2 THR 59 5.424 -14.005 -0.966 494 HG22 THR 59 1HG2 THR 59 4.333 -13.133 -2.039 495 HG23 THR 59 2HG2 THR 59 3.684 -14.281 -0.862 496 H ARG 60 H ARG 60 2.459 -12.092 2.391 497 HA ARG 60 HA ARG 60 1.723 -9.414 3.122 498 HB2 ARG 60 2HB ARG 60 0.700 -11.472 4.113 499 HB3 ARG 60 3HB ARG 60 2.221 -11.821 4.929 500 HG2 ARG 60 2HG ARG 60 2.011 -9.774 6.265 501 HG3 ARG 60 3HG ARG 60 0.546 -9.322 5.384 502 HD2 ARG 60 2HD ARG 60 -0.551 -11.402 6.207 503 HD3 ARG 60 3HD ARG 60 0.896 -11.762 7.152 504 HE ARG 60 HE ARG 60 -0.071 -9.174 7.783 505 HH11 ARG 60 1HH1 ARG 60 -0.811 -12.566 8.356 506 HH12 ARG 60 2HH1 ARG 60 -1.626 -12.264 9.857 507 HH21 ARG 60 1HH2 ARG 60 -1.158 -8.797 9.754 508 HH22 ARG 60 2HH2 ARG 60 -1.809 -10.131 10.655 509 H GLY 61 H GLY 61 3.103 -7.870 3.512 510 HA2 GLY 61 2HA GLY 61 4.843 -6.785 4.755 511 HA3 GLY 61 3HA GLY 61 5.698 -8.318 4.872 512 H ALA 62 H ALA 62 4.490 -7.897 1.762 513 HA ALA 62 HA ALA 62 7.143 -7.527 0.650 514 HB1 ALA 62 3HB ALA 62 4.466 -7.815 -0.765 515 HB2 ALA 62 1HB ALA 62 5.572 -9.132 -0.366 516 HB3 ALA 62 2HB ALA 62 6.057 -7.898 -1.528 517 H VAL 63 H VAL 63 7.585 -5.929 -1.067 518 HA VAL 63 HA VAL 63 6.285 -3.315 -0.559 519 HB VAL 63 HB VAL 63 8.959 -3.882 -1.939 520 HG11 VAL 63 1HG1 VAL 63 7.929 -1.818 -2.784 521 HG12 VAL 63 2HG1 VAL 63 9.339 -1.443 -1.796 522 HG13 VAL 63 3HG1 VAL 63 7.720 -1.221 -1.131 523 HG21 VAL 63 3HG2 VAL 63 10.015 -2.931 0.082 524 HG22 VAL 63 1HG2 VAL 63 9.096 -4.393 0.455 525 HG23 VAL 63 2HG2 VAL 63 8.433 -2.807 0.857 526 H VAL 64 H VAL 64 4.670 -3.012 -1.943 527 HA VAL 64 HA VAL 64 4.941 -3.830 -4.776 528 HB VAL 64 HB VAL 64 2.473 -3.547 -4.958 529 HG11 VAL 64 1HG1 VAL 64 1.811 -5.565 -3.714 530 HG12 VAL 64 2HG1 VAL 64 3.281 -5.467 -2.742 531 HG13 VAL 64 3HG1 VAL 64 3.387 -5.780 -4.477 532 HG21 VAL 64 3HG2 VAL 64 2.513 -3.055 -1.942 533 HG22 VAL 64 1HG2 VAL 64 1.061 -3.300 -2.920 534 HG23 VAL 64 2HG2 VAL 64 2.073 -1.883 -3.184 535 H GLU 65 H GLU 65 4.670 -2.288 -6.377 536 HA GLU 65 HA GLU 65 4.978 0.533 -5.566 537 HB2 GLU 65 2HB GLU 65 6.640 -0.252 -7.182 538 HB3 GLU 65 3HB GLU 65 5.383 -0.860 -8.251 539 HG2 GLU 65 2HG GLU 65 4.593 1.421 -8.682 540 HG3 GLU 65 3HG GLU 65 5.794 2.073 -7.564 541 H THR 66 H THR 66 3.369 1.964 -5.930 542 HA THR 66 HA THR 66 0.997 1.195 -7.526 543 HB THR 66 HB THR 66 -0.499 2.234 -5.874 544 HG1 THR 66 HG1 THR 66 1.639 2.523 -4.033 545 HG21 THR 66 3HG2 THR 66 -0.293 0.683 -3.966 546 HG22 THR 66 1HG2 THR 66 1.341 0.258 -4.471 547 HG23 THR 66 2HG2 THR 66 -0.038 -0.163 -5.492 548 H ASN 67 H ASN 67 -0.399 3.371 -7.746 549 HA ASN 67 HA ASN 67 1.298 5.349 -8.998 550 HB2 ASN 67 2HB ASN 67 -0.794 6.499 -9.597 551 HB3 ASN 67 3HB ASN 67 -0.869 4.788 -9.999 552 HD21 ASN 67 1HD2 ASN 67 -3.071 6.610 -9.648 553 HD22 ASN 67 2HD2 ASN 67 -4.035 5.987 -8.358 554 H LEU 68 H LEU 68 0.511 4.845 -5.788 555 HA LEU 68 HA LEU 68 0.943 7.678 -5.051 556 HB2 LEU 68 2HB LEU 68 0.030 5.323 -3.359 557 HB3 LEU 68 3HB LEU 68 0.292 6.949 -2.749 558 HG LEU 68 HG LEU 68 -1.862 6.092 -4.728 559 HD11 LEU 68 1HD1 LEU 68 -2.115 7.122 -1.880 560 HD12 LEU 68 2HD1 LEU 68 -2.367 5.456 -2.403 561 HD13 LEU 68 3HD1 LEU 68 -3.453 6.725 -2.964 562 HD21 LEU 68 3HD2 LEU 68 -2.687 8.421 -4.631 563 HD22 LEU 68 1HD2 LEU 68 -1.081 8.330 -5.351 564 HD23 LEU 68 2HD2 LEU 68 -1.273 8.888 -3.687 565 H GLY 69 H GLY 69 2.646 4.806 -5.517 566 HA2 GLY 69 2HA GLY 69 5.104 5.029 -5.333 567 HA3 GLY 69 3HA GLY 69 4.860 5.649 -3.706 568 H ASN 70 H ASN 70 6.430 3.899 -3.192 569 HA ASN 70 HA ASN 70 5.594 1.136 -3.393 570 HB2 ASN 70 2HB ASN 70 7.942 2.434 -1.943 571 HB3 ASN 70 3HB ASN 70 7.664 0.697 -2.011 572 HD21 ASN 70 1HD2 ASN 70 7.897 -0.384 -4.050 573 HD22 ASN 70 2HD2 ASN 70 8.782 0.341 -5.344 574 H VAL 71 H VAL 71 4.755 -0.166 -1.815 575 HA VAL 71 HA VAL 71 3.849 1.027 0.742 576 HB VAL 71 HB VAL 71 2.197 -0.632 -1.240 577 HG11 VAL 71 1HG1 VAL 71 1.267 0.713 1.317 578 HG12 VAL 71 2HG1 VAL 71 1.482 -1.022 1.078 579 HG13 VAL 71 3HG1 VAL 71 0.247 -0.152 0.166 580 HG21 VAL 71 3HG2 VAL 71 0.883 1.408 -1.673 581 HG22 VAL 71 1HG2 VAL 71 2.573 1.626 -2.128 582 HG23 VAL 71 2HG2 VAL 71 1.961 2.339 -0.636 583 H ARG 72 H ARG 72 3.790 -0.432 2.494 584 HA ARG 72 HA ARG 72 4.862 -3.155 2.157 585 HB2 ARG 72 2HB ARG 72 4.112 -1.548 4.638 586 HB3 ARG 72 3HB ARG 72 4.378 -3.284 4.739 587 HG2 ARG 72 2HG ARG 72 6.417 -1.219 3.887 588 HG3 ARG 72 3HG ARG 72 6.343 -2.017 5.454 589 HD2 ARG 72 2HD ARG 72 6.825 -4.175 4.411 590 HD3 ARG 72 3HD ARG 72 6.799 -3.436 2.806 591 HE ARG 72 HE ARG 72 8.682 -2.058 4.354 592 HH11 ARG 72 1HH1 ARG 72 8.314 -5.282 3.010 593 HH12 ARG 72 2HH1 ARG 72 10.014 -5.509 2.778 594 HH21 ARG 72 1HH2 ARG 72 10.932 -2.371 4.015 595 HH22 ARG 72 2HH2 ARG 72 11.490 -3.863 3.334 596 H VAL 73 H VAL 73 3.536 -4.899 2.030 597 HA VAL 73 HA VAL 73 0.661 -4.632 2.171 598 HB VAL 73 HB VAL 73 2.350 -7.181 1.963 599 HG11 VAL 73 1HG1 VAL 73 0.310 -8.199 0.984 600 HG12 VAL 73 2HG1 VAL 73 -0.583 -6.705 1.290 601 HG13 VAL 73 3HG1 VAL 73 0.043 -7.653 2.641 602 HG21 VAL 73 3HG2 VAL 73 1.994 -7.033 -0.482 603 HG22 VAL 73 1HG2 VAL 73 2.885 -5.634 0.119 604 HG23 VAL 73 2HG2 VAL 73 1.172 -5.484 -0.283 605 H THR 74 H THR 74 -0.314 -4.465 4.139 606 HA THR 74 HA THR 74 1.129 -5.393 6.557 607 HB THR 74 HB THR 74 -0.383 -3.840 7.799 608 HG1 THR 74 HG1 THR 74 -2.196 -3.567 6.668 609 HG21 THR 74 3HG2 THR 74 1.045 -2.528 5.452 610 HG22 THR 74 1HG2 THR 74 1.787 -2.981 6.989 611 HG23 THR 74 2HG2 THR 74 0.554 -1.722 6.941 612 H SER 75 H SER 75 -1.871 -5.647 4.806 613 HA SER 75 HA SER 75 -3.044 -7.570 6.701 614 HB2 SER 75 2HB SER 75 -4.461 -5.766 5.628 615 HB3 SER 75 3HB SER 75 -4.165 -6.524 4.063 616 HG SER 75 HG SER 75 -5.605 -7.506 6.282 617 H ARG 76 H ARG 76 -4.022 -9.567 5.570 618 HA ARG 76 HA ARG 76 -2.055 -10.989 4.021 619 HB2 ARG 76 2HB ARG 76 -4.893 -11.701 4.883 620 HB3 ARG 76 3HB ARG 76 -3.818 -12.807 4.027 621 HG2 ARG 76 2HG ARG 76 -2.226 -12.785 5.866 622 HG3 ARG 76 3HG ARG 76 -3.153 -11.541 6.703 623 HD2 ARG 76 2HD ARG 76 -3.561 -13.683 7.745 624 HD3 ARG 76 3HD ARG 76 -5.036 -13.138 6.940 625 HE ARG 76 HE ARG 76 -3.418 -14.875 5.308 626 HH11 ARG 76 1HH1 ARG 76 -5.950 -14.796 7.746 627 HH12 ARG 76 2HH1 ARG 76 -6.476 -16.415 7.424 628 HH21 ARG 76 1HH2 ARG 76 -4.133 -16.989 4.881 629 HH22 ARG 76 2HH2 ARG 76 -5.455 -17.651 5.788 630 HA PRO 77 HA PRO 77 -3.418 -8.889 0.285 631 HB2 PRO 77 2HB PRO 77 -1.888 -10.304 -1.532 632 HB3 PRO 77 3HB PRO 77 -1.253 -9.038 -0.478 633 HG2 PRO 77 2HG PRO 77 -1.181 -12.026 -0.079 634 HG3 PRO 77 3HG PRO 77 0.123 -10.835 0.130 635 HD2 PRO 77 2HD PRO 77 -1.243 -11.784 2.240 636 HD3 PRO 77 3HD PRO 77 -0.715 -10.089 2.181 637 H GLY 78 H GLY 78 -5.438 -9.216 -0.351 638 HA2 GLY 78 2HA GLY 78 -7.182 -10.050 -1.609 639 HA3 GLY 78 3HA GLY 78 -6.173 -11.408 -2.086 640 H GLN 79 H GLN 79 -6.905 -10.376 1.222 641 HA GLN 79 HA GLN 79 -7.715 -12.991 2.067 642 HB2 GLN 79 2HB GLN 79 -6.589 -11.339 3.561 643 HB3 GLN 79 3HB GLN 79 -8.007 -10.301 3.481 644 HG2 GLN 79 2HG GLN 79 -7.964 -11.523 5.591 645 HG3 GLN 79 3HG GLN 79 -9.346 -12.033 4.623 646 HE21 GLN 79 1HE2 GLN 79 -9.515 -14.013 5.721 647 HE22 GLN 79 2HE2 GLN 79 -8.371 -15.290 5.519 648 H ASP 80 H ASP 80 -9.476 -9.912 1.650 649 HA ASP 80 HA ASP 80 -12.011 -11.408 1.175 650 HB2 ASP 80 2HB ASP 80 -11.648 -8.640 2.430 651 HB3 ASP 80 3HB ASP 80 -13.207 -9.350 2.033 652 H GLY 81 H GLY 81 -10.663 -11.342 -0.990 653 HA2 GLY 81 2HA GLY 81 -10.397 -10.607 -3.133 654 HA3 GLY 81 3HA GLY 81 -11.757 -9.538 -2.846 655 H VAL 82 H VAL 82 -9.839 -8.375 -0.586 656 HA VAL 82 HA VAL 82 -8.558 -6.408 -2.355 657 HB VAL 82 HB VAL 82 -10.649 -5.575 -1.274 658 HG11 VAL 82 1HG1 VAL 82 -9.227 -5.998 1.383 659 HG12 VAL 82 2HG1 VAL 82 -10.626 -6.904 0.799 660 HG13 VAL 82 3HG1 VAL 82 -10.774 -5.182 1.150 661 HG21 VAL 82 3HG2 VAL 82 -8.893 -3.958 -1.811 662 HG22 VAL 82 1HG2 VAL 82 -8.138 -4.207 -0.237 663 HG23 VAL 82 2HG2 VAL 82 -9.742 -3.473 -0.347 664 H ILE 83 H ILE 83 -6.645 -5.484 -1.666 665 HA ILE 83 HA ILE 83 -5.158 -6.778 0.547 666 HB ILE 83 HB ILE 83 -4.049 -5.097 -1.763 667 HG12 ILE 83 2HG1 ILE 83 -4.219 -8.152 -1.614 668 HG13 ILE 83 3HG1 ILE 83 -5.231 -7.141 -2.634 669 HG21 ILE 83 1HG2 ILE 83 -2.653 -7.029 0.145 670 HG22 ILE 83 2HG2 ILE 83 -2.538 -5.270 0.181 671 HG23 ILE 83 3HG2 ILE 83 -1.880 -6.163 -1.186 672 HD11 ILE 83 3HD1 ILE 83 -2.256 -7.500 -2.858 673 HD12 ILE 83 1HD1 ILE 83 -3.231 -6.427 -3.866 674 HD13 ILE 83 2HD1 ILE 83 -3.494 -8.170 -3.918 675 H ASN 84 H ASN 84 -4.327 -5.446 2.195 676 HA ASN 84 HA ASN 84 -4.638 -2.506 1.926 677 HB2 ASN 84 2HB ASN 84 -5.161 -4.223 4.387 678 HB3 ASN 84 3HB ASN 84 -4.840 -2.497 4.504 679 HD21 ASN 84 1HD2 ASN 84 -6.834 -1.964 5.319 680 HD22 ASN 84 2HD2 ASN 84 -8.305 -2.073 4.419 681 H GLY 85 H GLY 85 -3.063 -1.241 3.022 682 HA2 GLY 85 2HA GLY 85 -0.622 -2.410 4.009 683 HA3 GLY 85 3HA GLY 85 -0.484 -1.813 2.357 684 H VAL 86 H VAL 86 1.219 -0.571 3.794 685 HA VAL 86 HA VAL 86 0.047 2.079 4.421 686 HB VAL 86 HB VAL 86 1.736 2.456 6.213 687 HG11 VAL 86 1HG1 VAL 86 0.711 1.062 7.973 688 HG12 VAL 86 2HG1 VAL 86 -0.019 0.036 6.737 689 HG13 VAL 86 3HG1 VAL 86 -0.501 1.729 6.877 690 HG21 VAL 86 3HG2 VAL 86 3.035 0.563 7.158 691 HG22 VAL 86 1HG2 VAL 86 3.496 0.891 5.484 692 HG23 VAL 86 2HG2 VAL 86 2.459 -0.485 5.864 693 H LEU 87 H LEU 87 1.257 3.866 3.788 694 HA LEU 87 HA LEU 87 2.966 3.468 1.530 695 HB2 LEU 87 2HB LEU 87 1.338 5.364 1.813 696 HB3 LEU 87 3HB LEU 87 2.387 6.038 3.050 697 HG LEU 87 HG LEU 87 4.196 6.321 1.333 698 HD11 LEU 87 1HD1 LEU 87 3.671 6.075 -1.067 699 HD12 LEU 87 2HD1 LEU 87 2.100 5.384 -0.659 700 HD13 LEU 87 3HD1 LEU 87 3.582 4.530 -0.226 701 HD21 LEU 87 3HD2 LEU 87 2.697 8.195 1.843 702 HD22 LEU 87 1HD2 LEU 87 1.554 7.642 0.617 703 HD23 LEU 87 2HD2 LEU 87 3.157 8.216 0.144 704 H ILE 88 H ILE 88 5.125 3.348 1.467 705 HA ILE 88 HA ILE 88 6.786 4.109 3.815 706 HB ILE 88 HB ILE 88 8.255 2.140 3.313 707 HG12 ILE 88 2HG1 ILE 88 6.073 1.480 1.281 708 HG13 ILE 88 3HG1 ILE 88 7.766 1.794 0.937 709 HG21 ILE 88 1HG2 ILE 88 6.533 1.965 5.076 710 HG22 ILE 88 2HG2 ILE 88 6.810 0.412 4.293 711 HG23 ILE 88 3HG2 ILE 88 5.373 1.354 3.894 712 HD11 ILE 88 3HD1 ILE 88 7.436 -0.507 0.688 713 HD12 ILE 88 1HD1 ILE 88 6.540 -0.629 2.196 714 HD13 ILE 88 2HD1 ILE 88 8.279 -0.323 2.230 715 H ARG 89 H ARG 89 9.187 4.194 3.128 716 HA ARG 89 HA ARG 89 9.460 5.525 0.484 717 HB2 ARG 89 2HB ARG 89 10.876 6.286 3.078 718 HB3 ARG 89 3HB ARG 89 11.080 7.079 1.519 719 HG2 ARG 89 2HG ARG 89 8.754 7.887 1.611 720 HG3 ARG 89 3HG ARG 89 8.509 7.051 3.146 721 HD2 ARG 89 2HD ARG 89 10.335 8.458 4.133 722 HD3 ARG 89 3HD ARG 89 10.410 9.356 2.615 723 HE ARG 89 HE ARG 89 7.772 9.280 3.752 724 HH11 ARG 89 1HH1 ARG 89 10.838 11.005 3.882 725 HH12 ARG 89 2HH1 ARG 89 10.146 12.452 4.533 726 HH21 ARG 89 1HH2 ARG 89 6.880 11.206 4.640 727 HH22 ARG 89 2HH2 ARG 89 7.906 12.571 4.952 728 H GLU 90 H GLU 90 9.969 3.220 -0.088 729 HA GLU 90 HA GLU 90 12.639 2.272 0.720 730 HB2 GLU 90 2HB GLU 90 10.539 0.943 -1.044 731 HB3 GLU 90 3HB GLU 90 12.081 0.216 -0.608 732 HG2 GLU 90 2HG GLU 90 9.851 0.942 1.301 733 HG3 GLU 90 3HG GLU 90 10.225 -0.675 0.716 734 H LEU 91 H LEU 91 10.995 2.261 -2.430 735 HA LEU 91 HA LEU 91 13.590 2.757 -3.753 736 HB2 LEU 91 2HB LEU 91 11.077 1.502 -4.934 737 HB3 LEU 91 3HB LEU 91 12.690 1.503 -5.632 738 HG LEU 91 HG LEU 91 11.905 0.008 -3.091 739 HD11 LEU 91 1HD1 LEU 91 10.816 -1.006 -5.026 740 HD12 LEU 91 2HD1 LEU 91 12.094 -2.051 -4.411 741 HD13 LEU 91 3HD1 LEU 91 12.364 -1.101 -5.870 742 HD21 LEU 91 3HD2 LEU 91 14.278 0.639 -3.058 743 HD22 LEU 91 1HD2 LEU 91 14.505 -0.076 -4.659 744 HD23 LEU 91 2HD2 LEU 91 14.104 -1.099 -3.282 745 H GLU 92 H GLU 92 13.763 4.472 -5.175 746 HA GLU 92 HA GLU 92 11.500 6.315 -5.471 747 HB2 GLU 92 2HB GLU 92 14.381 6.567 -6.457 748 HB3 GLU 92 3HB GLU 92 13.139 7.797 -6.664 749 HG2 GLU 92 2HG GLU 92 14.494 8.514 -4.858 750 HG3 GLU 92 3HG GLU 92 12.991 7.941 -4.146 751 H HIS 93 H HIS 93 10.110 5.975 -7.151 752 HA HIS 93 HA HIS 93 10.764 4.458 -9.491 753 HB2 HIS 93 2HB HIS 93 8.421 4.622 -8.704 754 HB3 HIS 93 3HB HIS 93 8.418 6.356 -9.016 755 HD1 HIS 93 HD1 HIS 93 8.023 7.110 -11.426 756 HD2 HIS 93 HD2 HIS 93 8.425 2.991 -11.074 757 HE1 HIS 93 HE1 HIS 93 7.429 6.175 -13.675 758 HE2 HIS 93 HE2 HIS 93 7.852 3.707 -13.486 759 H HIS 94 H HIS 94 12.629 5.357 -10.261 760 HA HIS 94 HA HIS 94 12.698 8.202 -11.074 761 HB2 HIS 94 2HB HIS 94 14.190 7.929 -9.235 762 HB3 HIS 94 3HB HIS 94 14.754 6.364 -9.789 763 HD1 HIS 94 HD1 HIS 94 15.132 10.054 -10.657 764 HD2 HIS 94 HD2 HIS 94 17.081 6.429 -11.252 765 HE1 HIS 94 HE1 HIS 94 17.341 10.626 -11.698 766 HE2 HIS 94 HE2 HIS 94 18.548 8.441 -11.900 767 H HIS 95 H HIS 95 13.191 8.631 -13.169 768 HA HIS 95 HA HIS 95 13.600 6.644 -15.138 769 HB2 HIS 95 2HB HIS 95 14.006 8.478 -16.701 770 HB3 HIS 95 3HB HIS 95 12.656 8.888 -15.658 771 HD1 HIS 95 HD1 HIS 95 15.129 10.616 -17.280 772 HD2 HIS 95 HD2 HIS 95 14.129 10.464 -13.253 773 HE1 HIS 95 HE1 HIS 95 15.994 12.738 -16.287 774 HE2 HIS 95 HE2 HIS 95 15.266 12.691 -13.881 775 H HIS 96 H HIS 96 15.330 5.343 -15.144 776 HA HIS 96 HA HIS 96 17.686 5.845 -13.641 777 HB2 HIS 96 2HB HIS 96 17.137 3.669 -15.706 778 HB3 HIS 96 3HB HIS 96 18.494 3.676 -14.581 779 HD1 HIS 96 HD1 HIS 96 18.035 2.890 -12.186 780 HD2 HIS 96 HD2 HIS 96 14.587 3.171 -14.482 781 HE1 HIS 96 HE1 HIS 96 16.224 1.788 -10.840 782 HE2 HIS 96 HE2 HIS 96 14.124 2.147 -12.171 783 H HIS 97 H HIS 97 16.844 6.485 -16.934 784 HA HIS 97 HA HIS 97 19.625 7.225 -17.642 785 HB2 HIS 97 2HB HIS 97 17.174 6.882 -19.424 786 HB3 HIS 97 3HB HIS 97 18.790 7.307 -19.984 787 HD1 HIS 97 HD1 HIS 97 20.192 5.375 -20.710 788 HD2 HIS 97 HD2 HIS 97 17.171 4.178 -18.118 789 HE1 HIS 97 HE1 HIS 97 20.328 2.872 -20.605 790 HE2 HIS 97 HE2 HIS 97 18.552 2.187 -18.983 791 H HIS 98 H HIS 98 19.739 9.287 -19.018 792 HA HIS 98 HA HIS 98 18.630 11.450 -17.437 793 HB2 HIS 98 2HB HIS 98 20.997 11.490 -18.149 794 HB3 HIS 98 3HB HIS 98 20.508 11.449 -19.842 795 HD1 HIS 98 HD1 HIS 98 20.222 13.674 -20.952 796 HD2 HIS 98 HD2 HIS 98 20.183 13.998 -16.820 797 HE1 HIS 98 HE1 HIS 98 20.189 16.123 -20.465 798 HE2 HIS 98 HE2 HIS 98 20.030 16.295 -17.965 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -12.819 -8.169 -36.434 2 H2 GLY 1 2H GLY 1 -14.029 -7.905 -37.583 3 H3 GLY 1 3H GLY 1 -14.281 -7.462 -35.971 4 HA2 GLY 1 2HA GLY 1 -12.302 -6.257 -37.816 5 HA3 GLY 1 3HA GLY 1 -13.825 -5.530 -37.323 6 H ASP 2 H ASP 2 -13.939 -4.454 -35.379 7 HA ASP 2 HA ASP 2 -11.814 -4.667 -33.389 8 HB2 ASP 2 2HB ASP 2 -10.913 -2.988 -34.987 9 HB3 ASP 2 3HB ASP 2 -12.386 -2.038 -34.841 10 H ARG 3 H ARG 3 -12.561 -4.288 -31.382 11 HA ARG 3 HA ARG 3 -15.386 -3.643 -31.035 12 HB2 ARG 3 2HB ARG 3 -13.353 -4.587 -28.960 13 HB3 ARG 3 3HB ARG 3 -15.077 -4.379 -28.692 14 HG2 ARG 3 2HG ARG 3 -14.845 -6.696 -28.947 15 HG3 ARG 3 3HG ARG 3 -15.399 -6.172 -30.537 16 HD2 ARG 3 2HD ARG 3 -13.076 -6.238 -31.375 17 HD3 ARG 3 3HD ARG 3 -12.512 -6.748 -29.780 18 HE ARG 3 HE ARG 3 -14.345 -8.357 -31.464 19 HH11 ARG 3 1HH1 ARG 3 -11.630 -8.222 -29.237 20 HH12 ARG 3 2HH1 ARG 3 -11.304 -9.922 -29.335 21 HH21 ARG 3 1HH2 ARG 3 -13.931 -10.591 -31.566 22 HH22 ARG 3 2HH2 ARG 3 -12.628 -11.278 -30.644 23 H ARG 4 H ARG 4 -15.277 -1.401 -31.501 24 HA ARG 4 HA ARG 4 -13.597 0.404 -29.976 25 HB2 ARG 4 2HB ARG 4 -14.953 2.210 -31.174 26 HB3 ARG 4 3HB ARG 4 -14.062 1.102 -32.208 27 HG2 ARG 4 2HG ARG 4 -16.140 -0.153 -32.676 28 HG3 ARG 4 3HG ARG 4 -17.044 0.963 -31.648 29 HD2 ARG 4 2HD ARG 4 -16.450 2.826 -33.183 30 HD3 ARG 4 3HD ARG 4 -15.572 1.682 -34.211 31 HE ARG 4 HE ARG 4 -17.985 0.553 -34.146 32 HH11 ARG 4 1HH1 ARG 4 -17.185 3.938 -34.684 33 HH12 ARG 4 2HH1 ARG 4 -18.538 4.208 -35.737 34 HH21 ARG 4 1HH2 ARG 4 -19.744 0.927 -35.517 35 HH22 ARG 4 2HH2 ARG 4 -19.983 2.498 -36.218 36 H VAL 5 H VAL 5 -14.172 -0.260 -27.866 37 HA VAL 5 HA VAL 5 -16.472 1.169 -26.747 38 HB VAL 5 HB VAL 5 -17.421 -1.032 -26.993 39 HG11 VAL 5 1HG1 VAL 5 -16.437 -3.107 -26.089 40 HG12 VAL 5 2HG1 VAL 5 -14.994 -2.219 -25.595 41 HG13 VAL 5 3HG1 VAL 5 -15.384 -2.376 -27.309 42 HG21 VAL 5 3HG2 VAL 5 -17.924 -1.670 -24.655 43 HG22 VAL 5 1HG2 VAL 5 -17.949 0.078 -24.864 44 HG23 VAL 5 2HG2 VAL 5 -16.572 -0.692 -24.080 45 H ARG 6 H ARG 6 -15.271 2.640 -25.721 46 HA ARG 6 HA ARG 6 -12.906 2.060 -24.159 47 HB2 ARG 6 2HB ARG 6 -13.273 4.203 -25.418 48 HB3 ARG 6 3HB ARG 6 -14.583 4.612 -24.320 49 HG2 ARG 6 2HG ARG 6 -12.952 4.672 -22.435 50 HG3 ARG 6 3HG ARG 6 -11.652 4.313 -23.574 51 HD2 ARG 6 2HD ARG 6 -13.447 6.763 -23.705 52 HD3 ARG 6 3HD ARG 6 -11.826 6.733 -23.018 53 HE ARG 6 HE ARG 6 -10.903 6.439 -25.180 54 HH11 ARG 6 1HH1 ARG 6 -14.403 6.825 -25.381 55 HH12 ARG 6 2HH1 ARG 6 -14.356 7.416 -27.010 56 HH21 ARG 6 1HH2 ARG 6 -10.880 7.205 -27.314 57 HH22 ARG 6 2HH2 ARG 6 -12.368 7.610 -28.114 58 H LEU 7 H LEU 7 -16.320 2.206 -23.595 59 HA LEU 7 HA LEU 7 -17.704 1.814 -21.882 60 HB2 LEU 7 2HB LEU 7 -16.091 -0.192 -21.701 61 HB3 LEU 7 3HB LEU 7 -15.341 0.641 -20.358 62 HG LEU 7 HG LEU 7 -17.001 -1.212 -19.758 63 HD11 LEU 7 1HD1 LEU 7 -17.638 1.505 -18.589 64 HD12 LEU 7 2HD1 LEU 7 -16.343 0.423 -18.069 65 HD13 LEU 7 3HD1 LEU 7 -18.025 -0.064 -17.873 66 HD21 LEU 7 3HD2 LEU 7 -18.701 -0.745 -21.471 67 HD22 LEU 7 1HD2 LEU 7 -19.097 0.784 -20.678 68 HD23 LEU 7 2HD2 LEU 7 -19.394 -0.745 -19.855 69 H ILE 8 H ILE 8 -17.957 4.055 -21.653 70 HA ILE 8 HA ILE 8 -16.350 5.452 -19.629 71 HB ILE 8 HB ILE 8 -16.345 6.508 -21.814 72 HG12 ILE 8 2HG1 ILE 8 -18.017 8.158 -19.855 73 HG13 ILE 8 3HG1 ILE 8 -16.268 7.995 -19.815 74 HG21 ILE 8 1HG2 ILE 8 -18.351 7.421 -22.915 75 HG22 ILE 8 2HG2 ILE 8 -19.374 6.751 -21.644 76 HG23 ILE 8 3HG2 ILE 8 -18.485 5.671 -22.723 77 HD11 ILE 8 3HD1 ILE 8 -16.891 10.122 -20.744 78 HD12 ILE 8 1HD1 ILE 8 -17.900 9.342 -21.962 79 HD13 ILE 8 2HD1 ILE 8 -16.146 9.138 -22.003 80 H ARG 9 H ARG 9 -17.171 5.184 -17.671 81 HA ARG 9 HA ARG 9 -20.067 5.568 -17.158 82 HB2 ARG 9 2HB ARG 9 -17.949 4.101 -15.525 83 HB3 ARG 9 3HB ARG 9 -19.594 4.392 -14.966 84 HG2 ARG 9 2HG ARG 9 -20.470 3.078 -16.872 85 HG3 ARG 9 3HG ARG 9 -18.823 2.756 -17.405 86 HD2 ARG 9 2HD ARG 9 -18.384 1.503 -15.322 87 HD3 ARG 9 3HD ARG 9 -20.021 1.868 -14.752 88 HE ARG 9 HE ARG 9 -20.230 0.648 -17.261 89 HH11 ARG 9 1HH1 ARG 9 -19.198 -0.309 -14.027 90 HH12 ARG 9 2HH1 ARG 9 -19.672 -1.961 -14.250 91 HH21 ARG 9 1HH2 ARG 9 -20.824 -1.511 -17.534 92 HH22 ARG 9 2HH2 ARG 9 -20.571 -2.649 -16.250 93 H THR 10 H THR 10 -20.364 6.415 -14.777 94 HA THR 10 HA THR 10 -19.890 9.125 -14.814 95 HB THR 10 HB THR 10 -20.606 9.088 -12.371 96 HG1 THR 10 HG1 THR 10 -19.701 7.107 -11.768 97 HG21 THR 10 3HG2 THR 10 -22.867 8.185 -12.766 98 HG22 THR 10 1HG2 THR 10 -22.305 7.378 -14.231 99 HG23 THR 10 2HG2 THR 10 -22.332 9.142 -14.149 100 H ARG 11 H ARG 11 -18.082 10.277 -14.564 101 HA ARG 11 HA ARG 11 -15.640 9.321 -13.448 102 HB2 ARG 11 2HB ARG 11 -15.618 10.970 -15.262 103 HB3 ARG 11 3HB ARG 11 -16.550 12.107 -14.300 104 HG2 ARG 11 2HG ARG 11 -14.236 12.824 -14.391 105 HG3 ARG 11 3HG ARG 11 -14.644 12.360 -12.739 106 HD2 ARG 11 2HD ARG 11 -12.444 11.529 -13.249 107 HD3 ARG 11 3HD ARG 11 -13.534 10.146 -13.156 108 HE ARG 11 HE ARG 11 -13.496 10.805 -15.819 109 HH11 ARG 11 1HH1 ARG 11 -10.990 9.931 -13.493 110 HH12 ARG 11 2HH1 ARG 11 -9.947 9.258 -14.707 111 HH21 ARG 11 1HH2 ARG 11 -12.111 9.924 -17.371 112 HH22 ARG 11 2HH2 ARG 11 -10.581 9.254 -16.901 113 H GLY 12 H GLY 12 -15.516 8.939 -11.284 114 HA2 GLY 12 2HA GLY 12 -15.279 10.890 -9.355 115 HA3 GLY 12 3HA GLY 12 -16.969 10.405 -9.279 116 H GLY 13 H GLY 13 -16.186 9.878 -7.039 117 HA2 GLY 13 2HA GLY 13 -14.580 7.465 -6.681 118 HA3 GLY 13 3HA GLY 13 -15.288 8.465 -5.422 119 H ASN 14 H ASN 14 -16.413 6.443 -8.129 120 HA ASN 14 HA ASN 14 -18.828 5.620 -6.706 121 HB2 ASN 14 2HB ASN 14 -17.805 4.829 -9.478 122 HB3 ASN 14 3HB ASN 14 -19.421 4.527 -8.843 123 HD21 ASN 14 1HD2 ASN 14 -17.242 6.920 -10.130 124 HD22 ASN 14 2HD2 ASN 14 -18.429 8.148 -10.389 125 H THR 15 H THR 15 -17.132 4.700 -5.091 126 HA THR 15 HA THR 15 -15.754 2.268 -5.823 127 HB THR 15 HB THR 15 -15.083 2.247 -3.378 128 HG1 THR 15 HG1 THR 15 -15.620 4.118 -2.155 129 HG21 THR 15 3HG2 THR 15 -13.659 3.381 -5.044 130 HG22 THR 15 1HG2 THR 15 -13.636 4.257 -3.511 131 HG23 THR 15 2HG2 THR 15 -14.600 4.863 -4.858 132 H LYS 16 H LYS 16 -17.606 1.135 -6.552 133 HA LYS 16 HA LYS 16 -19.241 -0.187 -4.459 134 HB2 LYS 16 2HB LYS 16 -19.856 0.052 -7.441 135 HB3 LYS 16 3HB LYS 16 -20.922 -0.613 -6.212 136 HG2 LYS 16 2HG LYS 16 -20.060 2.291 -6.411 137 HG3 LYS 16 3HG LYS 16 -21.611 1.648 -6.946 138 HD2 LYS 16 2HD LYS 16 -22.173 1.040 -4.619 139 HD3 LYS 16 3HD LYS 16 -20.607 1.640 -4.072 140 HE2 LYS 16 2HE LYS 16 -21.213 3.917 -4.794 141 HE3 LYS 16 3HE LYS 16 -22.766 3.325 -5.385 142 HZ1 LYS 16 3HZ LYS 16 -21.857 3.272 -2.556 143 HZ2 LYS 16 1HZ LYS 16 -23.340 2.693 -3.122 144 HZ3 LYS 16 2HZ LYS 16 -22.990 4.346 -3.214 145 H VAL 17 H VAL 17 -17.585 -0.640 -7.576 146 HA VAL 17 HA VAL 17 -17.028 -3.446 -7.059 147 HB VAL 17 HB VAL 17 -17.415 -2.629 -9.381 148 HG11 VAL 17 1HG1 VAL 17 -15.727 -1.316 -10.599 149 HG12 VAL 17 2HG1 VAL 17 -14.785 -1.128 -9.119 150 HG13 VAL 17 3HG1 VAL 17 -16.387 -0.401 -9.239 151 HG21 VAL 17 3HG2 VAL 17 -15.548 -3.819 -10.485 152 HG22 VAL 17 1HG2 VAL 17 -16.134 -4.695 -9.070 153 HG23 VAL 17 2HG2 VAL 17 -14.625 -3.783 -8.979 154 H ARG 18 H ARG 18 -15.093 -4.248 -6.259 155 HA ARG 18 HA ARG 18 -13.385 -2.404 -4.797 156 HB2 ARG 18 2HB ARG 18 -13.117 -5.436 -5.074 157 HB3 ARG 18 3HB ARG 18 -12.205 -4.425 -3.967 158 HG2 ARG 18 2HG ARG 18 -13.826 -5.445 -2.606 159 HG3 ARG 18 3HG ARG 18 -14.457 -3.824 -2.886 160 HD2 ARG 18 2HD ARG 18 -16.007 -4.693 -4.584 161 HD3 ARG 18 3HD ARG 18 -15.336 -6.317 -4.387 162 HE ARG 18 HE ARG 18 -16.149 -5.567 -1.869 163 HH11 ARG 18 1HH1 ARG 18 -17.823 -5.892 -4.952 164 HH12 ARG 18 2HH1 ARG 18 -19.311 -6.404 -4.219 165 HH21 ARG 18 1HH2 ARG 18 -18.115 -6.246 -0.937 166 HH22 ARG 18 2HH2 ARG 18 -19.475 -6.599 -1.955 167 H LEU 19 H LEU 19 -12.435 -5.144 -6.840 168 HA LEU 19 HA LEU 19 -10.322 -3.545 -8.133 169 HB2 LEU 19 2HB LEU 19 -10.711 -6.541 -7.772 170 HB3 LEU 19 3HB LEU 19 -9.553 -5.904 -8.922 171 HG LEU 19 HG LEU 19 -8.382 -4.738 -7.001 172 HD11 LEU 19 1HD1 LEU 19 -10.177 -4.661 -5.365 173 HD12 LEU 19 2HD1 LEU 19 -8.785 -5.507 -4.700 174 HD13 LEU 19 3HD1 LEU 19 -10.192 -6.423 -5.252 175 HD21 LEU 19 3HD2 LEU 19 -8.510 -7.762 -6.800 176 HD22 LEU 19 1HD2 LEU 19 -7.215 -6.730 -6.189 177 HD23 LEU 19 2HD2 LEU 19 -7.508 -6.836 -7.922 178 H ALA 20 H ALA 20 -10.661 -2.899 -10.218 179 HA ALA 20 HA ALA 20 -12.954 -4.018 -11.723 180 HB1 ALA 20 3HB ALA 20 -11.422 -1.433 -12.149 181 HB2 ALA 20 1HB ALA 20 -12.987 -1.585 -11.356 182 HB3 ALA 20 2HB ALA 20 -12.830 -1.952 -13.075 183 H SER 21 H SER 21 -11.448 -5.908 -11.890 184 HA SER 21 HA SER 21 -10.179 -7.358 -13.056 185 HB2 SER 21 2HB SER 21 -10.391 -5.347 -15.339 186 HB3 SER 21 3HB SER 21 -9.885 -7.031 -15.506 187 HG SER 21 HG SER 21 -12.409 -6.088 -14.616 188 H ASP 22 H ASP 22 -8.962 -4.913 -11.646 189 HA ASP 22 HA ASP 22 -6.184 -5.338 -12.475 190 HB2 ASP 22 2HB ASP 22 -5.648 -3.029 -12.711 191 HB3 ASP 22 3HB ASP 22 -7.108 -3.258 -13.658 192 H THR 23 H THR 23 -4.672 -4.812 -10.814 193 HA THR 23 HA THR 23 -5.626 -5.758 -8.296 194 HB THR 23 HB THR 23 -2.823 -4.775 -9.005 195 HG1 THR 23 HG1 THR 23 -4.252 -7.039 -9.776 196 HG21 THR 23 3HG2 THR 23 -3.731 -6.876 -6.996 197 HG22 THR 23 1HG2 THR 23 -3.127 -5.266 -6.593 198 HG23 THR 23 2HG2 THR 23 -2.059 -6.443 -7.357 199 H ARG 24 H ARG 24 -6.548 -4.463 -6.798 200 HA ARG 24 HA ARG 24 -5.736 -1.622 -6.512 201 HB2 ARG 24 2HB ARG 24 -8.416 -2.969 -5.962 202 HB3 ARG 24 3HB ARG 24 -8.058 -1.312 -5.507 203 HG2 ARG 24 2HG ARG 24 -7.946 -2.298 -8.375 204 HG3 ARG 24 3HG ARG 24 -9.384 -1.575 -7.644 205 HD2 ARG 24 2HD ARG 24 -8.196 0.517 -7.261 206 HD3 ARG 24 3HD ARG 24 -6.678 -0.196 -7.826 207 HE ARG 24 HE ARG 24 -7.870 -0.476 -10.019 208 HH11 ARG 24 1HH1 ARG 24 -8.899 2.094 -7.883 209 HH12 ARG 24 2HH1 ARG 24 -9.214 3.198 -9.179 210 HH21 ARG 24 1HH2 ARG 24 -8.259 0.961 -11.694 211 HH22 ARG 24 2HH2 ARG 24 -8.865 2.554 -11.353 212 H ILE 25 H ILE 25 -5.420 -0.768 -4.466 213 HA ILE 25 HA ILE 25 -5.455 -2.559 -2.125 214 HB ILE 25 HB ILE 25 -3.193 -2.730 -3.106 215 HG12 ILE 25 2HG1 ILE 25 -3.072 -1.049 -0.548 216 HG13 ILE 25 3HG1 ILE 25 -3.436 -2.769 -0.588 217 HG21 ILE 25 1HG2 ILE 25 -3.097 -0.589 -4.307 218 HG22 ILE 25 2HG2 ILE 25 -1.680 -0.787 -3.277 219 HG23 ILE 25 3HG2 ILE 25 -2.985 0.289 -2.777 220 HD11 ILE 25 3HD1 ILE 25 -0.835 -1.476 -1.403 221 HD12 ILE 25 1HD1 ILE 25 -1.193 -3.204 -1.508 222 HD13 ILE 25 2HD1 ILE 25 -1.150 -2.403 0.065 223 H ASN 26 H ASN 26 -5.801 -1.494 -0.170 224 HA ASN 26 HA ASN 26 -6.384 1.387 -0.217 225 HB2 ASN 26 2HB ASN 26 -6.832 -0.760 1.910 226 HB3 ASN 26 3HB ASN 26 -7.198 0.952 2.147 227 HD21 ASN 26 1HD2 ASN 26 -8.960 -1.444 2.090 228 HD22 ASN 26 2HD2 ASN 26 -10.167 -1.085 0.905 229 H VAL 27 H VAL 27 -4.584 2.516 -0.095 230 HA VAL 27 HA VAL 27 -2.235 1.632 1.386 231 HB VAL 27 HB VAL 27 -2.673 4.104 -0.361 232 HG11 VAL 27 1HG1 VAL 27 -0.821 4.412 1.202 233 HG12 VAL 27 2HG1 VAL 27 -0.219 4.254 -0.444 234 HG13 VAL 27 3HG1 VAL 27 -0.089 2.894 0.672 235 HG21 VAL 27 3HG2 VAL 27 -1.487 2.887 -2.136 236 HG22 VAL 27 1HG2 VAL 27 -2.956 2.037 -1.660 237 HG23 VAL 27 2HG2 VAL 27 -1.384 1.453 -1.111 238 H VAL 28 H VAL 28 -2.364 2.061 3.529 239 HA VAL 28 HA VAL 28 -3.629 4.514 4.550 240 HB VAL 28 HB VAL 28 -2.522 2.103 6.086 241 HG11 VAL 28 1HG1 VAL 28 -3.807 2.979 8.007 242 HG12 VAL 28 2HG1 VAL 28 -4.260 4.400 7.064 243 HG13 VAL 28 3HG1 VAL 28 -2.567 4.115 7.471 244 HG21 VAL 28 3HG2 VAL 28 -4.411 1.422 4.676 245 HG22 VAL 28 1HG2 VAL 28 -5.410 2.713 5.346 246 HG23 VAL 28 2HG2 VAL 28 -4.864 1.386 6.382 247 H ASP 29 H ASP 29 -2.103 6.102 4.167 248 HA ASP 29 HA ASP 29 0.658 5.941 4.692 249 HB2 ASP 29 2HB ASP 29 -0.602 7.816 3.453 250 HB3 ASP 29 3HB ASP 29 -1.017 8.468 5.039 251 HA PRO 30 HA PRO 30 -0.149 5.109 9.006 252 HB2 PRO 30 2HB PRO 30 2.375 4.625 9.910 253 HB3 PRO 30 3HB PRO 30 1.557 3.534 8.785 254 HG2 PRO 30 2HG PRO 30 3.566 5.702 8.177 255 HG3 PRO 30 3HG PRO 30 3.528 4.024 7.591 256 HD2 PRO 30 2HD PRO 30 2.601 6.105 6.094 257 HD3 PRO 30 3HD PRO 30 1.877 4.482 6.001 258 H GLU 31 H GLU 31 1.878 7.800 8.076 259 HA GLU 31 HA GLU 31 1.998 8.847 10.825 260 HB2 GLU 31 2HB GLU 31 3.593 10.530 9.857 261 HB3 GLU 31 3HB GLU 31 4.136 8.863 9.785 262 HG2 GLU 31 2HG GLU 31 3.326 8.859 7.354 263 HG3 GLU 31 3HG GLU 31 3.147 10.603 7.517 264 H THR 32 H THR 32 0.783 9.853 7.596 265 HA THR 32 HA THR 32 -0.380 12.308 8.699 266 HB THR 32 HB THR 32 -1.071 12.859 6.415 267 HG1 THR 32 HG1 THR 32 -0.254 10.205 5.833 268 HG21 THR 32 3HG2 THR 32 1.745 11.718 6.411 269 HG22 THR 32 1HG2 THR 32 1.283 13.336 6.954 270 HG23 THR 32 2HG2 THR 32 1.106 12.889 5.258 271 H GLY 33 H GLY 33 -1.393 9.078 7.874 272 HA2 GLY 33 2HA GLY 33 -3.301 7.976 8.609 273 HA3 GLY 33 3HA GLY 33 -4.038 9.521 9.012 274 H LYS 34 H LYS 34 -2.803 9.650 5.863 275 HA LYS 34 HA LYS 34 -5.391 9.752 4.666 276 HB2 LYS 34 2HB LYS 34 -2.609 9.720 3.429 277 HB3 LYS 34 3HB LYS 34 -4.084 9.995 2.509 278 HG2 LYS 34 2HG LYS 34 -3.108 11.756 4.777 279 HG3 LYS 34 3HG LYS 34 -2.849 12.080 3.061 280 HD2 LYS 34 2HD LYS 34 -5.325 12.171 2.731 281 HD3 LYS 34 3HD LYS 34 -5.550 11.932 4.468 282 HE2 LYS 34 2HE LYS 34 -4.340 14.045 4.908 283 HE3 LYS 34 3HE LYS 34 -4.115 14.276 3.172 284 HZ1 LYS 34 3HZ LYS 34 -6.552 14.334 2.953 285 HZ2 LYS 34 1HZ LYS 34 -5.957 15.578 3.929 286 HZ3 LYS 34 2HZ LYS 34 -6.700 14.237 4.632 287 H VAL 35 H VAL 35 -6.534 7.896 4.501 288 HA VAL 35 HA VAL 35 -5.320 5.426 3.438 289 HB VAL 35 HB VAL 35 -8.189 5.855 4.419 290 HG11 VAL 35 1HG1 VAL 35 -8.305 3.397 4.549 291 HG12 VAL 35 2HG1 VAL 35 -6.657 3.273 3.928 292 HG13 VAL 35 3HG1 VAL 35 -7.944 3.919 2.907 293 HG21 VAL 35 3HG2 VAL 35 -6.619 6.267 6.269 294 HG22 VAL 35 1HG2 VAL 35 -5.840 4.705 5.973 295 HG23 VAL 35 2HG2 VAL 35 -7.512 4.770 6.528 296 H GLU 36 H GLU 36 -5.293 5.298 1.253 297 HA GLU 36 HA GLU 36 -7.470 6.455 -0.365 298 HB2 GLU 36 2HB GLU 36 -5.724 8.197 -0.231 299 HB3 GLU 36 3HB GLU 36 -4.494 7.031 -0.705 300 HG2 GLU 36 2HG GLU 36 -5.076 8.540 -2.552 301 HG3 GLU 36 3HG GLU 36 -5.452 6.865 -2.941 302 H ILE 37 H ILE 37 -7.941 5.295 -2.167 303 HA ILE 37 HA ILE 37 -6.858 2.628 -2.437 304 HB ILE 37 HB ILE 37 -8.924 4.082 -4.161 305 HG12 ILE 37 2HG1 ILE 37 -9.356 2.134 -1.832 306 HG13 ILE 37 3HG1 ILE 37 -9.636 3.867 -1.768 307 HG21 ILE 37 1HG2 ILE 37 -8.276 1.101 -4.006 308 HG22 ILE 37 2HG2 ILE 37 -7.908 2.168 -5.361 309 HG23 ILE 37 3HG2 ILE 37 -9.585 1.816 -4.952 310 HD11 ILE 37 3HD1 ILE 37 -11.705 2.668 -1.980 311 HD12 ILE 37 1HD1 ILE 37 -11.147 1.890 -3.460 312 HD13 ILE 37 2HD1 ILE 37 -11.418 3.633 -3.427 313 H ALA 38 H ALA 38 -5.348 1.985 -3.893 314 HA ALA 38 HA ALA 38 -4.508 3.789 -6.075 315 HB1 ALA 38 3HB ALA 38 -2.657 2.262 -4.224 316 HB2 ALA 38 1HB ALA 38 -2.950 4.001 -4.189 317 HB3 ALA 38 2HB ALA 38 -2.170 3.272 -5.593 318 H GLU 39 H GLU 39 -3.192 2.688 -7.686 319 HA GLU 39 HA GLU 39 -4.230 -0.004 -8.343 320 HB2 GLU 39 2HB GLU 39 -2.948 2.133 -10.128 321 HB3 GLU 39 3HB GLU 39 -3.685 0.623 -10.676 322 HG2 GLU 39 2HG GLU 39 -5.879 1.364 -9.976 323 HG3 GLU 39 3HG GLU 39 -5.212 2.801 -9.210 324 H ILE 40 H ILE 40 -2.789 -1.645 -8.000 325 HA ILE 40 HA ILE 40 0.011 -1.138 -7.475 326 HB ILE 40 HB ILE 40 -1.562 -3.752 -7.601 327 HG12 ILE 40 2HG1 ILE 40 -0.512 -2.149 -5.216 328 HG13 ILE 40 3HG1 ILE 40 -2.198 -2.329 -5.689 329 HG21 ILE 40 1HG2 ILE 40 0.413 -4.858 -6.581 330 HG22 ILE 40 2HG2 ILE 40 1.331 -3.358 -6.728 331 HG23 ILE 40 3HG2 ILE 40 0.791 -4.208 -8.177 332 HD11 ILE 40 3HD1 ILE 40 -2.098 -4.709 -5.146 333 HD12 ILE 40 1HD1 ILE 40 -1.660 -3.699 -3.770 334 HD13 ILE 40 2HD1 ILE 40 -0.402 -4.537 -4.679 335 H ARG 41 H ARG 41 1.229 -0.712 -9.169 336 HA ARG 41 HA ARG 41 0.809 -1.764 -11.827 337 HB2 ARG 41 2HB ARG 41 3.119 -0.089 -10.770 338 HB3 ARG 41 3HB ARG 41 2.711 -0.361 -12.462 339 HG2 ARG 41 2HG ARG 41 0.488 0.795 -12.009 340 HG3 ARG 41 3HG ARG 41 1.129 1.221 -10.421 341 HD2 ARG 41 2HD ARG 41 2.252 2.054 -13.110 342 HD3 ARG 41 3HD ARG 41 1.432 3.090 -11.947 343 HE ARG 41 HE ARG 41 4.045 1.794 -11.396 344 HH11 ARG 41 1HH1 ARG 41 1.953 4.606 -11.163 345 HH12 ARG 41 2HH1 ARG 41 3.184 5.594 -10.444 346 HH21 ARG 41 1HH2 ARG 41 5.638 3.115 -10.490 347 HH22 ARG 41 2HH2 ARG 41 5.252 4.743 -10.029 348 H ASN 42 H ASN 42 3.085 -2.252 -9.184 349 HA ASN 42 HA ASN 42 4.187 -4.646 -10.548 350 HB2 ASN 42 2HB ASN 42 5.736 -2.535 -8.982 351 HB3 ASN 42 3HB ASN 42 6.404 -4.111 -9.388 352 HD21 ASN 42 1HD2 ASN 42 7.301 -1.458 -10.170 353 HD22 ASN 42 2HD2 ASN 42 7.321 -1.440 -11.897 354 H VAL 43 H VAL 43 4.047 -6.411 -9.391 355 HA VAL 43 HA VAL 43 3.404 -6.353 -6.499 356 HB VAL 43 HB VAL 43 2.848 -8.771 -6.779 357 HG11 VAL 43 1HG1 VAL 43 0.792 -8.471 -8.126 358 HG12 VAL 43 2HG1 VAL 43 1.423 -6.947 -8.754 359 HG13 VAL 43 3HG1 VAL 43 1.055 -7.111 -7.036 360 HG21 VAL 43 3HG2 VAL 43 3.415 -8.329 -9.743 361 HG22 VAL 43 1HG2 VAL 43 2.725 -9.785 -9.028 362 HG23 VAL 43 2HG2 VAL 43 4.384 -9.320 -8.649 363 H VAL 44 H VAL 44 5.974 -6.779 -8.665 364 HA VAL 44 HA VAL 44 7.652 -8.533 -7.208 365 HB VAL 44 HB VAL 44 8.060 -8.144 -9.576 366 HG11 VAL 44 1HG1 VAL 44 8.759 -5.256 -8.941 367 HG12 VAL 44 2HG1 VAL 44 7.323 -5.811 -9.803 368 HG13 VAL 44 3HG1 VAL 44 8.919 -6.046 -10.510 369 HG21 VAL 44 3HG2 VAL 44 10.498 -7.748 -9.580 370 HG22 VAL 44 1HG2 VAL 44 10.018 -8.776 -8.229 371 HG23 VAL 44 2HG2 VAL 44 10.402 -7.079 -7.950 372 H GLU 45 H GLU 45 8.152 -8.138 -5.211 373 HA GLU 45 HA GLU 45 8.303 -5.632 -3.883 374 HB2 GLU 45 2HB GLU 45 8.994 -6.880 -1.914 375 HB3 GLU 45 3HB GLU 45 7.685 -7.725 -2.712 376 HG2 GLU 45 2HG GLU 45 10.615 -8.507 -2.903 377 HG3 GLU 45 3HG GLU 45 9.448 -9.227 -1.803 378 H ASN 46 H ASN 46 10.709 -7.756 -5.219 379 HA ASN 46 HA ASN 46 12.692 -5.639 -5.343 380 HB2 ASN 46 2HB ASN 46 13.242 -6.613 -3.147 381 HB3 ASN 46 3HB ASN 46 13.191 -8.238 -3.809 382 HD21 ASN 46 1HD2 ASN 46 15.065 -5.294 -3.594 383 HD22 ASN 46 2HD2 ASN 46 16.535 -5.952 -4.219 384 H THR 47 H THR 47 13.731 -5.827 -7.274 385 HA THR 47 HA THR 47 12.912 -7.755 -9.183 386 HB THR 47 HB THR 47 14.684 -6.690 -10.648 387 HG1 THR 47 HG1 THR 47 16.215 -6.094 -9.109 388 HG21 THR 47 3HG2 THR 47 12.874 -4.739 -9.162 389 HG22 THR 47 1HG2 THR 47 12.401 -5.725 -10.545 390 HG23 THR 47 2HG2 THR 47 13.616 -4.462 -10.740 391 H ALA 48 H ALA 48 13.343 -9.792 -8.525 392 HA ALA 48 HA ALA 48 16.128 -10.753 -8.523 393 HB1 ALA 48 3HB ALA 48 15.490 -10.421 -6.151 394 HB2 ALA 48 1HB ALA 48 15.701 -12.135 -6.518 395 HB3 ALA 48 2HB ALA 48 14.078 -11.454 -6.380 396 H ASN 49 H ASN 49 15.690 -11.496 -10.593 397 HA ASN 49 HA ASN 49 15.092 -12.897 -12.254 398 HB2 ASN 49 2HB ASN 49 16.206 -14.456 -10.605 399 HB3 ASN 49 3HB ASN 49 14.618 -14.871 -9.976 400 HD21 ASN 49 1HD2 ASN 49 15.329 -14.449 -13.419 401 HD22 ASN 49 2HD2 ASN 49 15.127 -16.112 -13.835 402 HA PRO 50 HA PRO 50 10.590 -12.089 -10.858 403 HB2 PRO 50 2HB PRO 50 10.411 -9.843 -12.798 404 HB3 PRO 50 3HB PRO 50 10.177 -9.824 -11.043 405 HG2 PRO 50 2HG PRO 50 12.344 -8.673 -12.201 406 HG3 PRO 50 3HG PRO 50 12.440 -9.462 -10.611 407 HD2 PRO 50 2HD PRO 50 13.199 -10.586 -13.323 408 HD3 PRO 50 3HD PRO 50 14.135 -10.594 -11.807 409 H HIS 51 H HIS 51 11.930 -12.598 -14.031 410 HA HIS 51 HA HIS 51 9.474 -12.997 -15.442 411 HB2 HIS 51 2HB HIS 51 11.550 -12.521 -16.670 412 HB3 HIS 51 3HB HIS 51 12.283 -14.003 -16.066 413 HD1 HIS 51 HD1 HIS 51 12.266 -15.803 -17.788 414 HD2 HIS 51 HD2 HIS 51 8.970 -13.301 -18.182 415 HE1 HIS 51 HE1 HIS 51 10.960 -16.695 -19.728 416 HE2 HIS 51 HE2 HIS 51 9.055 -15.082 -20.041 417 H PHE 52 H PHE 52 11.802 -15.192 -13.869 418 HA PHE 52 HA PHE 52 10.401 -17.624 -14.247 419 HB2 PHE 52 2HB PHE 52 12.756 -17.622 -13.600 420 HB3 PHE 52 3HB PHE 52 12.403 -16.748 -12.119 421 HD1 PHE 52 HD1 PHE 52 11.889 -20.041 -13.825 422 HD2 PHE 52 HD2 PHE 52 11.902 -17.932 -10.097 423 HE1 PHE 52 HE1 PHE 52 11.701 -22.172 -12.607 424 HE2 PHE 52 HE2 PHE 52 11.709 -20.068 -8.897 425 HZ PHE 52 HZ PHE 52 11.609 -22.190 -10.144 426 H VAL 53 H VAL 53 10.213 -15.123 -11.762 427 HA VAL 53 HA VAL 53 8.408 -16.514 -10.031 428 HB VAL 53 HB VAL 53 8.971 -13.516 -10.175 429 HG11 VAL 53 1HG1 VAL 53 8.219 -13.456 -7.813 430 HG12 VAL 53 2HG1 VAL 53 7.813 -15.173 -7.903 431 HG13 VAL 53 3HG1 VAL 53 6.930 -14.006 -8.891 432 HG21 VAL 53 3HG2 VAL 53 11.058 -14.779 -9.829 433 HG22 VAL 53 1HG2 VAL 53 10.336 -15.637 -8.466 434 HG23 VAL 53 2HG2 VAL 53 10.617 -13.896 -8.369 435 H ARG 54 H ARG 54 7.637 -13.375 -11.576 436 HA ARG 54 HA ARG 54 5.853 -12.525 -12.661 437 HB2 ARG 54 2HB ARG 54 6.415 -14.334 -14.307 438 HB3 ARG 54 3HB ARG 54 5.297 -15.416 -13.494 439 HG2 ARG 54 2HG ARG 54 3.403 -13.929 -14.149 440 HG3 ARG 54 3HG ARG 54 4.546 -12.861 -14.969 441 HD2 ARG 54 2HD ARG 54 5.166 -14.707 -16.493 442 HD3 ARG 54 3HD ARG 54 4.026 -15.772 -15.666 443 HE ARG 54 HE ARG 54 2.519 -13.638 -16.493 444 HH11 ARG 54 1HH1 ARG 54 4.550 -16.012 -18.115 445 HH12 ARG 54 2HH1 ARG 54 3.646 -15.947 -19.591 446 HH21 ARG 54 1HH2 ARG 54 1.334 -13.580 -18.436 447 HH22 ARG 54 2HH2 ARG 54 1.817 -14.578 -19.775 448 H ARG 55 H ARG 55 5.590 -13.926 -9.872 449 HA ARG 55 HA ARG 55 2.838 -14.804 -9.743 450 HB2 ARG 55 2HB ARG 55 4.923 -14.489 -7.541 451 HB3 ARG 55 3HB ARG 55 3.357 -15.264 -7.344 452 HG2 ARG 55 2HG ARG 55 5.575 -16.248 -9.172 453 HG3 ARG 55 3HG ARG 55 5.219 -16.889 -7.570 454 HD2 ARG 55 2HD ARG 55 3.008 -17.652 -8.331 455 HD3 ARG 55 3HD ARG 55 3.294 -16.934 -9.920 456 HE ARG 55 HE ARG 55 4.618 -18.701 -10.489 457 HH11 ARG 55 1HH1 ARG 55 4.048 -18.930 -7.023 458 HH12 ARG 55 2HH1 ARG 55 4.798 -20.483 -6.879 459 HH21 ARG 55 1HH2 ARG 55 5.599 -20.733 -10.285 460 HH22 ARG 55 2HH2 ARG 55 5.672 -21.512 -8.737 461 H ASN 56 H ASN 56 1.154 -13.496 -9.361 462 HA ASN 56 HA ASN 56 1.381 -10.850 -8.180 463 HB2 ASN 56 2HB ASN 56 -0.276 -11.479 -10.006 464 HB3 ASN 56 3HB ASN 56 -1.127 -12.473 -8.836 465 HD21 ASN 56 1HD2 ASN 56 -0.488 -9.242 -9.918 466 HD22 ASN 56 2HD2 ASN 56 -1.671 -8.447 -8.942 467 H ILE 57 H ILE 57 1.593 -13.883 -6.908 468 HA ILE 57 HA ILE 57 0.171 -13.865 -4.504 469 HB ILE 57 HB ILE 57 2.965 -15.019 -4.973 470 HG12 ILE 57 2HG1 ILE 57 0.252 -16.368 -5.389 471 HG13 ILE 57 3HG1 ILE 57 1.337 -15.849 -6.671 472 HG21 ILE 57 1HG2 ILE 57 0.879 -15.804 -2.897 473 HG22 ILE 57 2HG2 ILE 57 2.381 -14.936 -2.573 474 HG23 ILE 57 3HG2 ILE 57 2.432 -16.605 -3.143 475 HD11 ILE 57 3HD1 ILE 57 1.476 -18.230 -6.366 476 HD12 ILE 57 1HD1 ILE 57 1.868 -18.036 -4.658 477 HD13 ILE 57 2HD1 ILE 57 3.003 -17.492 -5.894 478 H ILE 58 H ILE 58 0.185 -11.713 -3.751 479 HA ILE 58 HA ILE 58 2.633 -10.382 -2.922 480 HB ILE 58 HB ILE 58 -0.307 -9.665 -2.449 481 HG12 ILE 58 2HG1 ILE 58 1.663 -8.501 -4.493 482 HG13 ILE 58 3HG1 ILE 58 0.400 -9.663 -4.874 483 HG21 ILE 58 1HG2 ILE 58 2.191 -7.979 -2.012 484 HG22 ILE 58 2HG2 ILE 58 1.137 -8.628 -0.752 485 HG23 ILE 58 3HG2 ILE 58 0.529 -7.404 -1.865 486 HD11 ILE 58 3HD1 ILE 58 -1.291 -8.014 -4.198 487 HD12 ILE 58 1HD1 ILE 58 -0.269 -7.455 -5.518 488 HD13 ILE 58 2HD1 ILE 58 -0.004 -6.847 -3.887 489 H THR 59 H THR 59 3.435 -10.373 -0.841 490 HA THR 59 HA THR 59 2.063 -12.035 1.196 491 HB THR 59 HB THR 59 4.374 -12.640 2.000 492 HG1 THR 59 HG1 THR 59 5.227 -11.398 -0.433 493 HG21 THR 59 3HG2 THR 59 3.870 -13.326 -0.925 494 HG22 THR 59 1HG2 THR 59 3.195 -14.189 0.464 495 HG23 THR 59 2HG2 THR 59 4.932 -14.209 0.169 496 H ARG 60 H ARG 60 2.712 -11.518 3.466 497 HA ARG 60 HA ARG 60 2.543 -8.722 4.017 498 HB2 ARG 60 2HB ARG 60 2.951 -11.132 5.823 499 HB3 ARG 60 3HB ARG 60 2.937 -9.481 6.441 500 HG2 ARG 60 2HG ARG 60 0.647 -9.178 5.494 501 HG3 ARG 60 3HG ARG 60 0.644 -10.879 5.018 502 HD2 ARG 60 2HD ARG 60 0.813 -11.566 7.349 503 HD3 ARG 60 3HD ARG 60 1.004 -9.886 7.858 504 HE ARG 60 HE ARG 60 -1.303 -9.512 7.000 505 HH11 ARG 60 1HH1 ARG 60 -0.352 -12.735 7.980 506 HH12 ARG 60 2HH1 ARG 60 -1.967 -13.233 8.381 507 HH21 ARG 60 1HH2 ARG 60 -3.435 -10.177 7.526 508 HH22 ARG 60 2HH2 ARG 60 -3.726 -11.786 8.106 509 H GLY 61 H GLY 61 4.098 -7.293 4.317 510 HA2 GLY 61 2HA GLY 61 6.214 -6.423 4.857 511 HA3 GLY 61 3HA GLY 61 6.888 -8.045 4.853 512 H ALA 62 H ALA 62 5.147 -8.055 2.091 513 HA ALA 62 HA ALA 62 7.436 -7.530 0.396 514 HB1 ALA 62 3HB ALA 62 5.897 -9.389 -0.112 515 HB2 ALA 62 1HB ALA 62 5.972 -8.241 -1.452 516 HB3 ALA 62 2HB ALA 62 4.579 -8.246 -0.365 517 H VAL 63 H VAL 63 7.753 -5.832 -0.963 518 HA VAL 63 HA VAL 63 6.188 -3.404 -0.555 519 HB VAL 63 HB VAL 63 8.740 -3.837 -2.196 520 HG11 VAL 63 1HG1 VAL 63 7.523 -1.818 -2.879 521 HG12 VAL 63 2HG1 VAL 63 9.026 -1.395 -2.065 522 HG13 VAL 63 3HG1 VAL 63 7.488 -1.245 -1.209 523 HG21 VAL 63 3HG2 VAL 63 9.963 -2.872 -0.281 524 HG22 VAL 63 1HG2 VAL 63 9.150 -4.374 0.161 525 HG23 VAL 63 2HG2 VAL 63 8.469 -2.824 0.664 526 H VAL 64 H VAL 64 4.492 -3.011 -1.922 527 HA VAL 64 HA VAL 64 4.687 -3.899 -4.750 528 HB VAL 64 HB VAL 64 2.254 -3.440 -4.938 529 HG11 VAL 64 1HG1 VAL 64 1.458 -5.378 -3.636 530 HG12 VAL 64 2HG1 VAL 64 2.947 -5.366 -2.689 531 HG13 VAL 64 3HG1 VAL 64 3.001 -5.716 -4.420 532 HG21 VAL 64 3HG2 VAL 64 1.967 -1.710 -3.218 533 HG22 VAL 64 1HG2 VAL 64 2.345 -2.876 -1.946 534 HG23 VAL 64 2HG2 VAL 64 0.878 -3.060 -2.906 535 H GLU 65 H GLU 65 4.264 -2.367 -6.409 536 HA GLU 65 HA GLU 65 4.808 0.452 -5.662 537 HB2 GLU 65 2HB GLU 65 6.401 -0.603 -7.246 538 HB3 GLU 65 3HB GLU 65 5.074 -0.946 -8.350 539 HG2 GLU 65 2HG GLU 65 4.645 1.519 -8.523 540 HG3 GLU 65 3HG GLU 65 6.075 1.802 -7.533 541 H THR 66 H THR 66 3.312 1.976 -6.094 542 HA THR 66 HA THR 66 0.913 1.341 -7.683 543 HB THR 66 HB THR 66 -0.531 2.435 -6.017 544 HG1 THR 66 HG1 THR 66 1.625 2.536 -4.181 545 HG21 THR 66 3HG2 THR 66 1.162 0.294 -4.662 546 HG22 THR 66 1HG2 THR 66 -0.255 0.008 -5.683 547 HG23 THR 66 2HG2 THR 66 -0.433 0.827 -4.133 548 H ASN 67 H ASN 67 -0.402 3.586 -7.754 549 HA ASN 67 HA ASN 67 1.309 5.523 -9.058 550 HB2 ASN 67 2HB ASN 67 -1.682 5.567 -8.450 551 HB3 ASN 67 3HB ASN 67 -0.843 6.784 -9.411 552 HD21 ASN 67 1HD2 ASN 67 -2.991 4.893 -10.168 553 HD22 ASN 67 2HD2 ASN 67 -2.384 4.013 -11.519 554 H LEU 68 H LEU 68 0.494 4.964 -5.823 555 HA LEU 68 HA LEU 68 0.879 7.755 -4.972 556 HB2 LEU 68 2HB LEU 68 0.322 5.275 -3.310 557 HB3 LEU 68 3HB LEU 68 0.335 6.930 -2.725 558 HG LEU 68 HG LEU 68 -1.713 5.663 -4.583 559 HD11 LEU 68 1HD1 LEU 68 -2.014 6.790 -1.785 560 HD12 LEU 68 2HD1 LEU 68 -2.003 5.079 -2.219 561 HD13 LEU 68 3HD1 LEU 68 -3.311 6.120 -2.778 562 HD21 LEU 68 3HD2 LEU 68 -2.919 7.817 -4.559 563 HD22 LEU 68 1HD2 LEU 68 -1.346 7.959 -5.345 564 HD23 LEU 68 2HD2 LEU 68 -1.570 8.565 -3.703 565 H GLY 69 H GLY 69 2.642 4.921 -5.565 566 HA2 GLY 69 2HA GLY 69 5.097 5.110 -5.453 567 HA3 GLY 69 3HA GLY 69 4.904 5.725 -3.813 568 H ASN 70 H ASN 70 6.275 4.010 -3.103 569 HA ASN 70 HA ASN 70 5.470 1.242 -3.387 570 HB2 ASN 70 2HB ASN 70 7.667 2.566 -1.745 571 HB3 ASN 70 3HB ASN 70 7.402 0.826 -1.792 572 HD21 ASN 70 1HD2 ASN 70 6.787 0.548 -4.551 573 HD22 ASN 70 2HD2 ASN 70 8.232 0.879 -5.437 574 H VAL 71 H VAL 71 4.381 -0.025 -1.942 575 HA VAL 71 HA VAL 71 3.587 1.090 0.685 576 HB VAL 71 HB VAL 71 1.962 -0.826 -1.072 577 HG11 VAL 71 1HG1 VAL 71 1.101 0.792 1.348 578 HG12 VAL 71 2HG1 VAL 71 1.415 -0.943 1.321 579 HG13 VAL 71 3HG1 VAL 71 0.074 -0.279 0.391 580 HG21 VAL 71 3HG2 VAL 71 1.602 2.186 -0.832 581 HG22 VAL 71 1HG2 VAL 71 0.497 1.080 -1.657 582 HG23 VAL 71 2HG2 VAL 71 2.136 1.304 -2.264 583 H ARG 72 H ARG 72 4.016 -0.232 2.434 584 HA ARG 72 HA ARG 72 5.025 -2.969 2.078 585 HB2 ARG 72 2HB ARG 72 4.759 -1.138 4.475 586 HB3 ARG 72 3HB ARG 72 4.720 -2.863 4.778 587 HG2 ARG 72 2HG ARG 72 6.997 -1.260 3.621 588 HG3 ARG 72 3HG ARG 72 6.941 -2.076 5.177 589 HD2 ARG 72 2HD ARG 72 6.620 -4.244 3.744 590 HD3 ARG 72 3HD ARG 72 7.255 -3.265 2.422 591 HE ARG 72 HE ARG 72 8.712 -4.444 4.551 592 HH11 ARG 72 1HH1 ARG 72 8.816 -1.559 2.532 593 HH12 ARG 72 2HH1 ARG 72 10.528 -1.365 2.709 594 HH21 ARG 72 1HH2 ARG 72 10.929 -4.186 4.732 595 HH22 ARG 72 2HH2 ARG 72 11.729 -2.864 3.942 596 H VAL 73 H VAL 73 3.540 -4.554 1.785 597 HA VAL 73 HA VAL 73 0.736 -4.072 2.428 598 HB VAL 73 HB VAL 73 2.038 -6.598 1.287 599 HG11 VAL 73 1HG1 VAL 73 -0.225 -7.180 0.510 600 HG12 VAL 73 2HG1 VAL 73 -0.878 -5.724 1.270 601 HG13 VAL 73 3HG1 VAL 73 -0.189 -7.009 2.265 602 HG21 VAL 73 3HG2 VAL 73 0.753 -4.254 -0.168 603 HG22 VAL 73 1HG2 VAL 73 1.292 -5.759 -0.920 604 HG23 VAL 73 2HG2 VAL 73 2.466 -4.680 -0.172 605 H THR 74 H THR 74 0.636 -3.974 4.627 606 HA THR 74 HA THR 74 1.761 -5.917 6.420 607 HB THR 74 HB THR 74 0.303 -4.638 8.111 608 HG1 THR 74 HG1 THR 74 -0.527 -2.609 7.199 609 HG21 THR 74 3HG2 THR 74 2.656 -4.001 7.754 610 HG22 THR 74 1HG2 THR 74 1.656 -2.566 8.013 611 HG23 THR 74 2HG2 THR 74 2.194 -2.988 6.386 612 H SER 75 H SER 75 -1.172 -5.593 4.648 613 HA SER 75 HA SER 75 -2.574 -7.717 6.102 614 HB2 SER 75 2HB SER 75 -3.420 -5.949 3.775 615 HB3 SER 75 3HB SER 75 -4.463 -7.090 4.623 616 HG SER 75 HG SER 75 -4.760 -5.651 6.107 617 H ARG 76 H ARG 76 -3.959 -9.002 4.174 618 HA ARG 76 HA ARG 76 -1.947 -10.237 2.385 619 HB2 ARG 76 2HB ARG 76 -4.559 -11.311 3.530 620 HB3 ARG 76 3HB ARG 76 -3.594 -12.163 2.325 621 HG2 ARG 76 2HG ARG 76 -1.679 -12.168 3.945 622 HG3 ARG 76 3HG ARG 76 -2.756 -11.455 5.146 623 HD2 ARG 76 2HD ARG 76 -4.169 -13.418 5.146 624 HD3 ARG 76 3HD ARG 76 -3.286 -14.113 3.778 625 HE ARG 76 HE ARG 76 -1.556 -13.589 5.985 626 HH11 ARG 76 1HH1 ARG 76 -3.935 -15.919 4.851 627 HH12 ARG 76 2HH1 ARG 76 -3.275 -17.222 5.786 628 HH21 ARG 76 1HH2 ARG 76 -0.675 -15.321 7.162 629 HH22 ARG 76 2HH2 ARG 76 -1.413 -16.890 7.083 630 HA PRO 77 HA PRO 77 -4.194 -8.616 -1.124 631 HB2 PRO 77 2HB PRO 77 -3.808 -10.511 -3.062 632 HB3 PRO 77 3HB PRO 77 -2.506 -9.470 -2.470 633 HG2 PRO 77 2HG PRO 77 -3.158 -12.306 -1.672 634 HG3 PRO 77 3HG PRO 77 -1.580 -11.586 -2.071 635 HD2 PRO 77 2HD PRO 77 -2.409 -11.951 0.502 636 HD3 PRO 77 3HD PRO 77 -1.354 -10.598 0.028 637 H GLY 78 H GLY 78 -6.340 -8.488 -1.523 638 HA2 GLY 78 2HA GLY 78 -8.488 -9.059 -2.117 639 HA3 GLY 78 3HA GLY 78 -7.949 -10.714 -2.339 640 H GLN 79 H GLN 79 -7.237 -9.461 0.780 641 HA GLN 79 HA GLN 79 -9.138 -11.219 2.042 642 HB2 GLN 79 2HB GLN 79 -8.216 -10.529 4.147 643 HB3 GLN 79 3HB GLN 79 -6.883 -10.761 3.032 644 HG2 GLN 79 2HG GLN 79 -6.505 -8.410 2.823 645 HG3 GLN 79 3HG GLN 79 -8.030 -8.022 3.618 646 HE21 GLN 79 1HE2 GLN 79 -5.732 -10.487 4.741 647 HE22 GLN 79 2HE2 GLN 79 -5.314 -9.665 6.202 648 H ASP 80 H ASP 80 -11.108 -10.696 2.890 649 HA ASP 80 HA ASP 80 -13.011 -9.586 3.397 650 HB2 ASP 80 2HB ASP 80 -11.538 -8.243 4.895 651 HB3 ASP 80 3HB ASP 80 -11.215 -7.132 3.571 652 H GLY 81 H GLY 81 -11.361 -9.149 0.559 653 HA2 GLY 81 2HA GLY 81 -12.763 -9.047 -1.436 654 HA3 GLY 81 3HA GLY 81 -13.518 -7.611 -0.756 655 H VAL 82 H VAL 82 -10.486 -7.001 0.151 656 HA VAL 82 HA VAL 82 -9.379 -6.229 -2.453 657 HB VAL 82 HB VAL 82 -10.959 -4.398 -1.777 658 HG11 VAL 82 1HG1 VAL 82 -10.754 -4.530 0.649 659 HG12 VAL 82 2HG1 VAL 82 -10.421 -2.891 0.087 660 HG13 VAL 82 3HG1 VAL 82 -9.087 -3.943 0.566 661 HG21 VAL 82 3HG2 VAL 82 -9.469 -2.490 -2.195 662 HG22 VAL 82 1HG2 VAL 82 -9.065 -3.847 -3.247 663 HG23 VAL 82 2HG2 VAL 82 -8.056 -3.489 -1.845 664 H ILE 83 H ILE 83 -7.154 -5.250 -2.228 665 HA ILE 83 HA ILE 83 -5.562 -6.583 -0.170 666 HB ILE 83 HB ILE 83 -4.561 -4.710 -2.377 667 HG12 ILE 83 2HG1 ILE 83 -5.135 -7.708 -2.540 668 HG13 ILE 83 3HG1 ILE 83 -5.876 -6.437 -3.492 669 HG21 ILE 83 1HG2 ILE 83 -2.427 -5.944 -2.139 670 HG22 ILE 83 2HG2 ILE 83 -3.136 -6.947 -0.871 671 HG23 ILE 83 3HG2 ILE 83 -2.910 -5.217 -0.604 672 HD11 ILE 83 3HD1 ILE 83 -3.678 -6.021 -4.547 673 HD12 ILE 83 1HD1 ILE 83 -4.352 -7.623 -4.844 674 HD13 ILE 83 2HD1 ILE 83 -3.055 -7.423 -3.672 675 H ASN 84 H ASN 84 -4.210 -5.366 1.330 676 HA ASN 84 HA ASN 84 -4.750 -2.475 1.610 677 HB2 ASN 84 2HB ASN 84 -5.087 -4.470 3.893 678 HB3 ASN 84 3HB ASN 84 -5.220 -2.730 4.035 679 HD21 ASN 84 1HD2 ASN 84 -6.776 -5.641 2.875 680 HD22 ASN 84 2HD2 ASN 84 -8.347 -4.951 2.669 681 H GLY 85 H GLY 85 -3.137 -1.342 2.872 682 HA2 GLY 85 2HA GLY 85 -0.881 -2.647 4.071 683 HA3 GLY 85 3HA GLY 85 -0.480 -2.064 2.456 684 H VAL 86 H VAL 86 1.104 -0.826 3.912 685 HA VAL 86 HA VAL 86 -0.030 1.798 4.677 686 HB VAL 86 HB VAL 86 1.791 2.017 6.414 687 HG11 VAL 86 1HG1 VAL 86 -0.123 -0.297 6.891 688 HG12 VAL 86 2HG1 VAL 86 -0.490 1.414 7.111 689 HG13 VAL 86 3HG1 VAL 86 0.710 0.631 8.142 690 HG21 VAL 86 3HG2 VAL 86 3.388 0.360 5.561 691 HG22 VAL 86 1HG2 VAL 86 2.243 -0.947 5.888 692 HG23 VAL 86 2HG2 VAL 86 2.944 -0.028 7.223 693 H LEU 87 H LEU 87 1.058 3.641 3.917 694 HA LEU 87 HA LEU 87 2.692 3.217 1.604 695 HB2 LEU 87 2HB LEU 87 0.975 5.065 1.898 696 HB3 LEU 87 3HB LEU 87 2.113 5.876 2.953 697 HG LEU 87 HG LEU 87 3.712 6.166 1.086 698 HD11 LEU 87 1HD1 LEU 87 3.201 4.112 -0.201 699 HD12 LEU 87 2HD1 LEU 87 3.162 5.543 -1.221 700 HD13 LEU 87 3HD1 LEU 87 1.653 4.802 -0.689 701 HD21 LEU 87 3HD2 LEU 87 0.912 7.078 0.315 702 HD22 LEU 87 1HD2 LEU 87 2.425 7.741 -0.310 703 HD23 LEU 87 2HD2 LEU 87 2.021 7.926 1.393 704 H ILE 88 H ILE 88 4.819 3.173 1.408 705 HA ILE 88 HA ILE 88 6.628 4.214 3.527 706 HB ILE 88 HB ILE 88 8.276 2.446 2.787 707 HG12 ILE 88 2HG1 ILE 88 5.893 1.517 1.133 708 HG13 ILE 88 3HG1 ILE 88 7.483 1.964 0.539 709 HG21 ILE 88 1HG2 ILE 88 7.230 0.570 3.989 710 HG22 ILE 88 2HG2 ILE 88 5.649 1.338 3.833 711 HG23 ILE 88 3HG2 ILE 88 6.907 2.103 4.804 712 HD11 ILE 88 3HD1 ILE 88 7.296 -0.367 0.362 713 HD12 ILE 88 1HD1 ILE 88 6.663 -0.518 1.997 714 HD13 ILE 88 2HD1 ILE 88 8.352 -0.084 1.746 715 H ARG 89 H ARG 89 8.955 4.533 2.479 716 HA ARG 89 HA ARG 89 8.518 6.283 0.096 717 HB2 ARG 89 2HB ARG 89 10.622 6.968 2.165 718 HB3 ARG 89 3HB ARG 89 9.713 8.042 1.115 719 HG2 ARG 89 2HG ARG 89 8.642 6.660 3.587 720 HG3 ARG 89 3HG ARG 89 9.170 8.336 3.501 721 HD2 ARG 89 2HD ARG 89 7.316 8.946 2.115 722 HD3 ARG 89 3HD ARG 89 6.907 7.253 1.795 723 HE ARG 89 HE ARG 89 6.819 7.834 4.589 724 HH11 ARG 89 1HH1 ARG 89 4.937 8.315 1.659 725 HH12 ARG 89 2HH1 ARG 89 3.408 8.300 2.485 726 HH21 ARG 89 1HH2 ARG 89 4.778 7.835 5.654 727 HH22 ARG 89 2HH2 ARG 89 3.331 8.052 4.731 728 H GLU 90 H GLU 90 9.602 3.464 0.272 729 HA GLU 90 HA GLU 90 12.321 3.215 0.671 730 HB2 GLU 90 2HB GLU 90 10.635 1.511 -1.200 731 HB3 GLU 90 3HB GLU 90 12.193 1.050 -0.529 732 HG2 GLU 90 2HG GLU 90 9.660 1.536 1.036 733 HG3 GLU 90 3HG GLU 90 10.332 -0.033 0.634 734 H LEU 91 H LEU 91 11.042 2.817 -2.656 735 HA LEU 91 HA LEU 91 13.616 3.515 -3.772 736 HB2 LEU 91 2HB LEU 91 10.999 3.036 -5.256 737 HB3 LEU 91 3HB LEU 91 12.613 3.020 -5.946 738 HG LEU 91 HG LEU 91 11.450 0.979 -4.023 739 HD11 LEU 91 1HD1 LEU 91 10.608 0.734 -6.301 740 HD12 LEU 91 2HD1 LEU 91 11.667 -0.609 -5.875 741 HD13 LEU 91 3HD1 LEU 91 12.262 0.680 -6.925 742 HD21 LEU 91 3HD2 LEU 91 13.549 -0.290 -4.278 743 HD22 LEU 91 1HD2 LEU 91 13.804 1.264 -3.483 744 HD23 LEU 91 2HD2 LEU 91 14.247 1.060 -5.178 745 H GLU 92 H GLU 92 13.997 5.637 -3.230 746 HA GLU 92 HA GLU 92 12.236 7.814 -3.539 747 HB2 GLU 92 2HB GLU 92 15.277 7.711 -3.621 748 HB3 GLU 92 3HB GLU 92 14.375 9.219 -3.678 749 HG2 GLU 92 2HG GLU 92 13.345 8.536 -1.445 750 HG3 GLU 92 3HG GLU 92 14.562 7.256 -1.397 751 H HIS 93 H HIS 93 11.174 7.970 -5.450 752 HA HIS 93 HA HIS 93 12.387 7.479 -8.004 753 HB2 HIS 93 2HB HIS 93 9.935 7.040 -7.385 754 HB3 HIS 93 3HB HIS 93 9.669 8.777 -7.464 755 HD1 HIS 93 HD1 HIS 93 9.339 5.862 -9.469 756 HD2 HIS 93 HD2 HIS 93 10.526 9.760 -10.255 757 HE1 HIS 93 HE1 HIS 93 9.097 6.158 -11.945 758 HE2 HIS 93 HE2 HIS 93 9.976 8.467 -12.405 759 H HIS 94 H HIS 94 14.138 8.969 -7.814 760 HA HIS 94 HA HIS 94 13.731 11.825 -7.744 761 HB2 HIS 94 2HB HIS 94 16.182 10.190 -8.538 762 HB3 HIS 94 3HB HIS 94 16.161 11.934 -8.305 763 HD1 HIS 94 HD1 HIS 94 17.323 9.111 -6.627 764 HD2 HIS 94 HD2 HIS 94 15.060 12.375 -5.397 765 HE1 HIS 94 HE1 HIS 94 17.687 9.294 -4.155 766 HE2 HIS 94 HE2 HIS 94 16.150 11.141 -3.405 767 H HIS 95 H HIS 95 12.487 12.529 -9.445 768 HA HIS 95 HA HIS 95 12.951 11.494 -12.159 769 HB2 HIS 95 2HB HIS 95 10.626 11.553 -11.172 770 HB3 HIS 95 3HB HIS 95 10.718 13.312 -11.152 771 HD1 HIS 95 HD1 HIS 95 11.173 10.566 -13.777 772 HD2 HIS 95 HD2 HIS 95 9.512 14.352 -13.371 773 HE1 HIS 95 HE1 HIS 95 10.150 11.098 -16.001 774 HE2 HIS 95 HE2 HIS 95 9.320 13.458 -15.777 775 H HIS 96 H HIS 96 15.060 12.615 -11.991 776 HA HIS 96 HA HIS 96 16.572 14.168 -12.519 777 HB2 HIS 96 2HB HIS 96 14.308 15.172 -14.273 778 HB3 HIS 96 3HB HIS 96 15.940 15.829 -14.342 779 HD1 HIS 96 HD1 HIS 96 14.066 13.766 -16.336 780 HD2 HIS 96 HD2 HIS 96 17.769 13.210 -14.540 781 HE1 HIS 96 HE1 HIS 96 15.200 11.968 -17.656 782 HE2 HIS 96 HE2 HIS 96 17.511 11.809 -16.685 783 H HIS 97 H HIS 97 16.568 14.823 -10.326 784 HA HIS 97 HA HIS 97 16.024 17.716 -9.966 785 HB2 HIS 97 2HB HIS 97 15.356 15.533 -7.925 786 HB3 HIS 97 3HB HIS 97 15.431 17.249 -7.526 787 HD1 HIS 97 HD1 HIS 97 13.478 18.749 -8.350 788 HD2 HIS 97 HD2 HIS 97 13.037 14.737 -9.344 789 HE1 HIS 97 HE1 HIS 97 11.090 18.486 -9.065 790 HE2 HIS 97 HE2 HIS 97 10.910 16.101 -9.823 791 H HIS 98 H HIS 98 17.332 18.601 -8.100 792 HA HIS 98 HA HIS 98 19.313 19.082 -7.129 793 HB2 HIS 98 2HB HIS 98 19.330 16.057 -6.752 794 HB3 HIS 98 3HB HIS 98 20.583 17.093 -6.081 795 HD1 HIS 98 HD1 HIS 98 20.070 18.273 -3.921 796 HD2 HIS 98 HD2 HIS 98 16.713 16.464 -5.572 797 HE1 HIS 98 HE1 HIS 98 18.296 18.419 -2.162 798 HE2 HIS 98 HE2 HIS 98 16.346 17.140 -3.106 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -37.911 -34.676 -7.882 2 H2 GLY 1 2H GLY 1 -37.448 -34.269 -9.452 3 H3 GLY 1 3H GLY 1 -38.414 -33.216 -8.555 4 HA2 GLY 1 2HA GLY 1 -36.651 -32.818 -6.991 5 HA3 GLY 1 3HA GLY 1 -35.626 -33.953 -7.865 6 H ASP 2 H ASP 2 -37.772 -31.213 -8.700 7 HA ASP 2 HA ASP 2 -36.252 -30.478 -11.012 8 HB2 ASP 2 2HB ASP 2 -38.517 -29.038 -9.563 9 HB3 ASP 2 3HB ASP 2 -37.858 -28.541 -11.117 10 H ARG 3 H ARG 3 -34.187 -29.868 -10.482 11 HA ARG 3 HA ARG 3 -33.676 -27.741 -8.523 12 HB2 ARG 3 2HB ARG 3 -31.684 -29.218 -10.306 13 HB3 ARG 3 3HB ARG 3 -31.304 -28.198 -8.924 14 HG2 ARG 3 2HG ARG 3 -32.695 -30.894 -8.848 15 HG3 ARG 3 3HG ARG 3 -31.061 -30.541 -8.303 16 HD2 ARG 3 2HD ARG 3 -31.923 -29.168 -6.475 17 HD3 ARG 3 3HD ARG 3 -33.574 -29.359 -7.068 18 HE ARG 3 HE ARG 3 -32.303 -31.869 -6.514 19 HH11 ARG 3 1HH1 ARG 3 -34.063 -29.226 -4.977 20 HH12 ARG 3 2HH1 ARG 3 -34.574 -30.202 -3.634 21 HH21 ARG 3 1HH2 ARG 3 -33.017 -33.112 -4.764 22 HH22 ARG 3 2HH2 ARG 3 -33.978 -32.387 -3.513 23 H ARG 4 H ARG 4 -34.499 -25.913 -9.373 24 HA ARG 4 HA ARG 4 -33.187 -24.687 -11.676 25 HB2 ARG 4 2HB ARG 4 -35.129 -25.852 -12.690 26 HB3 ARG 4 3HB ARG 4 -36.217 -25.064 -11.553 27 HG2 ARG 4 2HG ARG 4 -35.591 -22.849 -12.553 28 HG3 ARG 4 3HG ARG 4 -34.595 -23.700 -13.738 29 HD2 ARG 4 2HD ARG 4 -37.589 -24.030 -13.387 30 HD3 ARG 4 3HD ARG 4 -36.803 -23.085 -14.655 31 HE ARG 4 HE ARG 4 -35.720 -25.569 -14.934 32 HH11 ARG 4 1HH1 ARG 4 -39.056 -24.420 -14.880 33 HH12 ARG 4 2HH1 ARG 4 -39.626 -25.661 -15.944 34 HH21 ARG 4 1HH2 ARG 4 -36.485 -27.170 -16.324 35 HH22 ARG 4 2HH2 ARG 4 -38.162 -27.216 -16.768 36 H VAL 5 H VAL 5 -32.335 -23.216 -10.188 37 HA VAL 5 HA VAL 5 -34.115 -21.529 -8.606 38 HB VAL 5 HB VAL 5 -31.997 -22.118 -7.586 39 HG11 VAL 5 1HG1 VAL 5 -29.800 -21.407 -8.435 40 HG12 VAL 5 2HG1 VAL 5 -30.554 -20.758 -9.890 41 HG13 VAL 5 3HG1 VAL 5 -30.602 -22.492 -9.574 42 HG21 VAL 5 3HG2 VAL 5 -31.150 -19.892 -6.942 43 HG22 VAL 5 1HG2 VAL 5 -32.913 -19.917 -7.000 44 HG23 VAL 5 2HG2 VAL 5 -31.998 -19.168 -8.308 45 H ARG 6 H ARG 6 -35.417 -20.625 -10.169 46 HA ARG 6 HA ARG 6 -34.423 -19.334 -12.542 47 HB2 ARG 6 2HB ARG 6 -36.613 -20.509 -12.497 48 HB3 ARG 6 3HB ARG 6 -37.222 -19.330 -11.340 49 HG2 ARG 6 2HG ARG 6 -38.068 -18.793 -13.555 50 HG3 ARG 6 3HG ARG 6 -36.939 -17.533 -13.054 51 HD2 ARG 6 2HD ARG 6 -35.162 -18.649 -14.432 52 HD3 ARG 6 3HD ARG 6 -36.371 -19.811 -14.987 53 HE ARG 6 HE ARG 6 -37.291 -17.188 -15.472 54 HH11 ARG 6 1HH1 ARG 6 -34.918 -19.473 -16.714 55 HH12 ARG 6 2HH1 ARG 6 -34.844 -18.733 -18.282 56 HH21 ARG 6 1HH2 ARG 6 -37.176 -16.218 -17.527 57 HH22 ARG 6 2HH2 ARG 6 -36.133 -16.886 -18.742 58 H LEU 7 H LEU 7 -33.312 -17.507 -12.290 59 HA LEU 7 HA LEU 7 -34.420 -15.271 -10.692 60 HB2 LEU 7 2HB LEU 7 -31.496 -16.064 -11.018 61 HB3 LEU 7 3HB LEU 7 -32.048 -14.597 -10.233 62 HG LEU 7 HG LEU 7 -32.584 -17.420 -9.228 63 HD11 LEU 7 1HD1 LEU 7 -30.676 -15.315 -8.159 64 HD12 LEU 7 2HD1 LEU 7 -30.218 -16.813 -8.973 65 HD13 LEU 7 3HD1 LEU 7 -31.020 -16.874 -7.407 66 HD21 LEU 7 3HD2 LEU 7 -33.246 -14.745 -7.950 67 HD22 LEU 7 1HD2 LEU 7 -33.460 -16.329 -7.199 68 HD23 LEU 7 2HD2 LEU 7 -34.410 -15.892 -8.618 69 H ILE 8 H ILE 8 -34.991 -13.687 -12.053 70 HA ILE 8 HA ILE 8 -33.903 -13.431 -14.718 71 HB ILE 8 HB ILE 8 -36.253 -12.923 -14.400 72 HG12 ILE 8 2HG1 ILE 8 -34.756 -10.341 -15.030 73 HG13 ILE 8 3HG1 ILE 8 -35.054 -11.639 -16.172 74 HG21 ILE 8 1HG2 ILE 8 -36.289 -12.195 -12.061 75 HG22 ILE 8 2HG2 ILE 8 -37.106 -11.012 -13.079 76 HG23 ILE 8 3HG2 ILE 8 -35.474 -10.687 -12.492 77 HD11 ILE 8 3HD1 ILE 8 -36.558 -9.789 -16.542 78 HD12 ILE 8 1HD1 ILE 8 -37.149 -9.894 -14.885 79 HD13 ILE 8 2HD1 ILE 8 -37.466 -11.207 -16.021 80 H ARG 9 H ARG 9 -31.760 -12.972 -14.643 81 HA ARG 9 HA ARG 9 -30.544 -11.177 -12.761 82 HB2 ARG 9 2HB ARG 9 -29.380 -12.571 -15.203 83 HB3 ARG 9 3HB ARG 9 -28.433 -11.667 -14.038 84 HG2 ARG 9 2HG ARG 9 -30.017 -14.170 -13.435 85 HG3 ARG 9 3HG ARG 9 -28.271 -14.079 -13.663 86 HD2 ARG 9 2HD ARG 9 -29.866 -12.770 -11.437 87 HD3 ARG 9 3HD ARG 9 -28.820 -14.184 -11.289 88 HE ARG 9 HE ARG 9 -27.027 -12.493 -12.153 89 HH11 ARG 9 1HH1 ARG 9 -29.573 -11.758 -9.851 90 HH12 ARG 9 2HH1 ARG 9 -28.654 -10.534 -9.040 91 HH21 ARG 9 1HH2 ARG 9 -25.832 -10.889 -11.065 92 HH22 ARG 9 2HH2 ARG 9 -26.535 -10.037 -9.730 93 H THR 10 H THR 10 -31.859 -9.322 -13.297 94 HA THR 10 HA THR 10 -30.859 -7.720 -15.587 95 HB THR 10 HB THR 10 -33.028 -6.360 -15.181 96 HG1 THR 10 HG1 THR 10 -34.035 -8.715 -13.961 97 HG21 THR 10 3HG2 THR 10 -33.343 -9.232 -16.142 98 HG22 THR 10 1HG2 THR 10 -32.792 -7.870 -17.122 99 HG23 THR 10 2HG2 THR 10 -34.440 -7.895 -16.495 100 H ARG 11 H ARG 11 -30.448 -5.490 -15.147 101 HA ARG 11 HA ARG 11 -28.825 -5.113 -12.883 102 HB2 ARG 11 2HB ARG 11 -28.452 -4.019 -15.090 103 HB3 ARG 11 3HB ARG 11 -29.894 -3.038 -14.847 104 HG2 ARG 11 2HG ARG 11 -27.843 -1.757 -14.408 105 HG3 ARG 11 3HG ARG 11 -28.830 -1.902 -12.952 106 HD2 ARG 11 2HD ARG 11 -26.452 -2.205 -12.445 107 HD3 ARG 11 3HD ARG 11 -27.355 -3.685 -12.116 108 HE ARG 11 HE ARG 11 -26.239 -3.668 -14.754 109 HH11 ARG 11 1HH1 ARG 11 -25.482 -4.395 -11.404 110 HH12 ARG 11 2HH1 ARG 11 -24.085 -5.344 -11.795 111 HH21 ARG 11 1HH2 ARG 11 -24.436 -4.927 -15.260 112 HH22 ARG 11 2HH2 ARG 11 -23.490 -5.642 -14.003 113 H GLY 12 H GLY 12 -29.855 -5.249 -10.952 114 HA2 GLY 12 2HA GLY 12 -31.750 -3.094 -10.171 115 HA3 GLY 12 3HA GLY 12 -32.072 -4.776 -9.748 116 H GLY 13 H GLY 13 -28.857 -3.481 -9.848 117 HA2 GLY 13 2HA GLY 13 -28.549 -2.666 -7.144 118 HA3 GLY 13 3HA GLY 13 -28.028 -4.341 -7.329 119 H ASN 14 H ASN 14 -26.160 -2.552 -6.547 120 HA ASN 14 HA ASN 14 -24.588 -1.779 -8.914 121 HB2 ASN 14 2HB ASN 14 -24.880 -0.241 -6.855 122 HB3 ASN 14 3HB ASN 14 -23.834 -1.352 -5.978 123 HD21 ASN 14 1HD2 ASN 14 -23.386 1.443 -6.544 124 HD22 ASN 14 2HD2 ASN 14 -21.928 1.546 -7.462 125 H THR 15 H THR 15 -22.789 -2.877 -9.545 126 HA THR 15 HA THR 15 -22.378 -5.549 -8.656 127 HB THR 15 HB THR 15 -20.584 -3.907 -10.498 128 HG1 THR 15 HG1 THR 15 -22.638 -3.924 -11.361 129 HG21 THR 15 3HG2 THR 15 -20.929 -6.927 -10.278 130 HG22 THR 15 1HG2 THR 15 -19.515 -6.018 -9.746 131 HG23 THR 15 2HG2 THR 15 -19.924 -6.087 -11.464 132 H LYS 16 H LYS 16 -21.770 -5.522 -6.520 133 HA LYS 16 HA LYS 16 -19.433 -4.080 -5.567 134 HB2 LYS 16 2HB LYS 16 -19.894 -5.289 -3.392 135 HB3 LYS 16 3HB LYS 16 -21.217 -4.293 -3.977 136 HG2 LYS 16 2HG LYS 16 -22.399 -6.285 -4.780 137 HG3 LYS 16 3HG LYS 16 -21.055 -7.301 -4.259 138 HD2 LYS 16 2HD LYS 16 -21.471 -6.672 -1.901 139 HD3 LYS 16 3HD LYS 16 -22.792 -5.614 -2.406 140 HE2 LYS 16 2HE LYS 16 -22.707 -8.633 -2.773 141 HE3 LYS 16 3HE LYS 16 -23.631 -7.770 -1.545 142 HZ1 LYS 16 3HZ LYS 16 -24.026 -7.518 -4.478 143 HZ2 LYS 16 1HZ LYS 16 -24.918 -6.721 -3.281 144 HZ3 LYS 16 2HZ LYS 16 -25.002 -8.403 -3.420 145 H VAL 17 H VAL 17 -18.142 -4.996 -7.267 146 HA VAL 17 HA VAL 17 -17.224 -7.761 -6.981 147 HB VAL 17 HB VAL 17 -17.732 -6.941 -9.260 148 HG11 VAL 17 1HG1 VAL 17 -15.483 -4.931 -8.888 149 HG12 VAL 17 2HG1 VAL 17 -17.205 -4.564 -9.013 150 HG13 VAL 17 3HG1 VAL 17 -16.346 -5.248 -10.393 151 HG21 VAL 17 3HG2 VAL 17 -14.768 -7.520 -8.885 152 HG22 VAL 17 1HG2 VAL 17 -15.652 -7.651 -10.410 153 HG23 VAL 17 2HG2 VAL 17 -16.058 -8.708 -9.060 154 H ARG 18 H ARG 18 -15.172 -8.307 -6.327 155 HA ARG 18 HA ARG 18 -13.462 -6.233 -5.124 156 HB2 ARG 18 2HB ARG 18 -12.201 -8.176 -4.156 157 HB3 ARG 18 3HB ARG 18 -13.856 -8.045 -3.613 158 HG2 ARG 18 2HG ARG 18 -13.269 -9.906 -5.902 159 HG3 ARG 18 3HG ARG 18 -12.771 -10.395 -4.282 160 HD2 ARG 18 2HD ARG 18 -15.096 -10.134 -3.487 161 HD3 ARG 18 3HD ARG 18 -15.592 -9.633 -5.110 162 HE ARG 18 HE ARG 18 -14.483 -11.997 -5.635 163 HH11 ARG 18 1HH1 ARG 18 -16.848 -11.136 -3.185 164 HH12 ARG 18 2HH1 ARG 18 -17.553 -12.719 -3.139 165 HH21 ARG 18 1HH2 ARG 18 -15.408 -14.040 -5.573 166 HH22 ARG 18 2HH2 ARG 18 -16.728 -14.379 -4.500 167 H LEU 19 H LEU 19 -10.938 -7.631 -5.406 168 HA LEU 19 HA LEU 19 -10.226 -6.758 -8.064 169 HB2 LEU 19 2HB LEU 19 -7.866 -7.640 -7.304 170 HB3 LEU 19 3HB LEU 19 -8.537 -6.176 -6.625 171 HG LEU 19 HG LEU 19 -9.162 -7.457 -4.553 172 HD11 LEU 19 1HD1 LEU 19 -9.338 -9.713 -5.424 173 HD12 LEU 19 2HD1 LEU 19 -8.172 -9.656 -4.106 174 HD13 LEU 19 3HD1 LEU 19 -7.613 -9.748 -5.783 175 HD21 LEU 19 3HD2 LEU 19 -7.091 -6.159 -4.642 176 HD22 LEU 19 1HD2 LEU 19 -6.218 -7.551 -5.284 177 HD23 LEU 19 2HD2 LEU 19 -6.884 -7.597 -3.646 178 H ALA 20 H ALA 20 -11.768 -8.338 -9.030 179 HA ALA 20 HA ALA 20 -11.011 -11.141 -9.170 180 HB1 ALA 20 3HB ALA 20 -13.029 -11.378 -10.561 181 HB2 ALA 20 1HB ALA 20 -13.211 -9.622 -10.620 182 HB3 ALA 20 2HB ALA 20 -13.393 -10.479 -9.089 183 H SER 21 H SER 21 -10.721 -8.265 -11.143 184 HA SER 21 HA SER 21 -9.206 -9.745 -13.226 185 HB2 SER 21 2HB SER 21 -11.441 -8.989 -14.065 186 HB3 SER 21 3HB SER 21 -11.017 -7.327 -13.656 187 HG SER 21 HG SER 21 -10.222 -8.898 -15.778 188 H ASP 22 H ASP 22 -9.337 -7.097 -11.006 189 HA ASP 22 HA ASP 22 -6.914 -5.815 -12.142 190 HB2 ASP 22 2HB ASP 22 -8.929 -4.673 -10.145 191 HB3 ASP 22 3HB ASP 22 -7.588 -3.803 -10.886 192 H THR 23 H THR 23 -5.391 -4.920 -10.359 193 HA THR 23 HA THR 23 -5.494 -6.482 -7.854 194 HB THR 23 HB THR 23 -3.111 -5.074 -9.158 195 HG1 THR 23 HG1 THR 23 -3.959 -7.791 -9.109 196 HG21 THR 23 3HG2 THR 23 -1.758 -6.267 -7.468 197 HG22 THR 23 1HG2 THR 23 -3.229 -6.924 -6.743 198 HG23 THR 23 2HG2 THR 23 -2.919 -5.186 -6.696 199 H ARG 24 H ARG 24 -6.542 -5.259 -6.420 200 HA ARG 24 HA ARG 24 -6.131 -2.326 -6.305 201 HB2 ARG 24 2HB ARG 24 -8.434 -3.516 -6.767 202 HB3 ARG 24 3HB ARG 24 -8.428 -3.873 -5.048 203 HG2 ARG 24 2HG ARG 24 -9.755 -1.907 -5.433 204 HG3 ARG 24 3HG ARG 24 -8.293 -1.429 -4.570 205 HD2 ARG 24 2HD ARG 24 -9.000 0.122 -6.444 206 HD3 ARG 24 3HD ARG 24 -7.336 -0.465 -6.535 207 HE ARG 24 HE ARG 24 -7.867 -1.718 -8.416 208 HH11 ARG 24 1HH1 ARG 24 -10.860 -0.329 -7.190 209 HH12 ARG 24 2HH1 ARG 24 -11.693 -0.519 -8.699 210 HH21 ARG 24 1HH2 ARG 24 -8.961 -1.928 -10.376 211 HH22 ARG 24 2HH2 ARG 24 -10.622 -1.439 -10.505 212 H ILE 25 H ILE 25 -5.353 -1.384 -4.439 213 HA ILE 25 HA ILE 25 -5.199 -2.951 -1.939 214 HB ILE 25 HB ILE 25 -2.974 -3.022 -3.038 215 HG12 ILE 25 2HG1 ILE 25 -2.887 -1.197 -0.575 216 HG13 ILE 25 3HG1 ILE 25 -3.141 -2.939 -0.510 217 HG21 ILE 25 1HG2 ILE 25 -3.090 -0.936 -4.356 218 HG22 ILE 25 2HG2 ILE 25 -1.620 -0.980 -3.384 219 HG23 ILE 25 3HG2 ILE 25 -2.978 0.024 -2.877 220 HD11 ILE 25 3HD1 ILE 25 -0.907 -3.284 -1.463 221 HD12 ILE 25 1HD1 ILE 25 -0.857 -2.347 0.030 222 HD13 ILE 25 2HD1 ILE 25 -0.666 -1.536 -1.524 223 H ASN 26 H ASN 26 -5.586 -1.768 -0.073 224 HA ASN 26 HA ASN 26 -6.346 1.056 -0.300 225 HB2 ASN 26 2HB ASN 26 -6.550 -0.869 2.066 226 HB3 ASN 26 3HB ASN 26 -7.132 0.793 2.060 227 HD21 ASN 26 1HD2 ASN 26 -7.721 -2.437 0.956 228 HD22 ASN 26 2HD2 ASN 26 -9.308 -2.143 0.340 229 H VAL 27 H VAL 27 -4.676 2.420 -0.181 230 HA VAL 27 HA VAL 27 -2.244 1.749 1.306 231 HB VAL 27 HB VAL 27 -2.848 4.077 -0.583 232 HG11 VAL 27 1HG1 VAL 27 -0.406 4.474 -0.606 233 HG12 VAL 27 2HG1 VAL 27 -0.188 3.220 0.621 234 HG13 VAL 27 3HG1 VAL 27 -1.086 4.689 1.008 235 HG21 VAL 27 3HG2 VAL 27 -2.869 1.917 -1.747 236 HG22 VAL 27 1HG2 VAL 27 -1.282 1.521 -1.085 237 HG23 VAL 27 2HG2 VAL 27 -1.458 2.863 -2.220 238 H VAL 28 H VAL 28 -2.410 2.233 3.408 239 HA VAL 28 HA VAL 28 -3.659 4.766 4.293 240 HB VAL 28 HB VAL 28 -2.959 2.307 5.979 241 HG11 VAL 28 1HG1 VAL 28 -4.558 4.791 6.705 242 HG12 VAL 28 2HG1 VAL 28 -2.947 4.376 7.291 243 HG13 VAL 28 3HG1 VAL 28 -4.325 3.375 7.738 244 HG21 VAL 28 3HG2 VAL 28 -4.766 1.771 4.404 245 HG22 VAL 28 1HG2 VAL 28 -5.683 3.180 4.944 246 HG23 VAL 28 2HG2 VAL 28 -5.381 1.840 6.057 247 H ASP 29 H ASP 29 -1.955 6.186 4.016 248 HA ASP 29 HA ASP 29 0.728 5.862 4.685 249 HB2 ASP 29 2HB ASP 29 -0.399 7.789 3.409 250 HB3 ASP 29 3HB ASP 29 -0.853 8.456 4.972 251 HA PRO 30 HA PRO 30 -0.072 5.325 9.089 252 HB2 PRO 30 2HB PRO 30 2.442 4.715 9.940 253 HB3 PRO 30 3HB PRO 30 1.491 3.605 8.947 254 HG2 PRO 30 2HG PRO 30 3.664 5.514 8.090 255 HG3 PRO 30 3HG PRO 30 3.421 3.815 7.631 256 HD2 PRO 30 2HD PRO 30 2.633 5.914 6.041 257 HD3 PRO 30 3HD PRO 30 1.804 4.340 6.048 258 H GLU 31 H GLU 31 2.134 7.799 7.895 259 HA GLU 31 HA GLU 31 2.441 8.973 10.575 260 HB2 GLU 31 2HB GLU 31 4.044 10.546 9.531 261 HB3 GLU 31 3HB GLU 31 4.500 8.863 9.319 262 HG2 GLU 31 2HG GLU 31 3.615 8.974 6.990 263 HG3 GLU 31 3HG GLU 31 3.278 10.688 7.228 264 H THR 32 H THR 32 1.192 9.999 7.363 265 HA THR 32 HA THR 32 0.092 12.459 8.536 266 HB THR 32 HB THR 32 -0.500 13.056 6.174 267 HG1 THR 32 HG1 THR 32 0.967 10.801 5.324 268 HG21 THR 32 3HG2 THR 32 1.721 13.709 7.051 269 HG22 THR 32 1HG2 THR 32 1.790 13.348 5.326 270 HG23 THR 32 2HG2 THR 32 2.393 12.171 6.497 271 H GLY 33 H GLY 33 -1.024 9.384 7.177 272 HA2 GLY 33 2HA GLY 33 -3.010 8.323 7.882 273 HA3 GLY 33 3HA GLY 33 -3.683 9.871 8.359 274 H LYS 34 H LYS 34 -2.262 9.855 5.199 275 HA LYS 34 HA LYS 34 -4.563 10.092 3.656 276 HB2 LYS 34 2HB LYS 34 -2.061 8.616 2.725 277 HB3 LYS 34 3HB LYS 34 -3.271 9.366 1.693 278 HG2 LYS 34 2HG LYS 34 -2.560 11.589 2.459 279 HG3 LYS 34 3HG LYS 34 -1.381 10.841 3.547 280 HD2 LYS 34 2HD LYS 34 -0.284 9.768 1.536 281 HD3 LYS 34 3HD LYS 34 -1.390 10.673 0.499 282 HE2 LYS 34 2HE LYS 34 0.787 11.777 0.615 283 HE3 LYS 34 3HE LYS 34 -0.452 12.787 1.369 284 HZ1 LYS 34 3HZ LYS 34 1.627 12.663 2.639 285 HZ2 LYS 34 1HZ LYS 34 1.397 11.001 2.846 286 HZ3 LYS 34 2HZ LYS 34 0.295 12.100 3.516 287 H VAL 35 H VAL 35 -6.250 8.671 3.935 288 HA VAL 35 HA VAL 35 -5.771 5.771 3.490 289 HB VAL 35 HB VAL 35 -8.280 7.108 4.648 290 HG11 VAL 35 1HG1 VAL 35 -8.779 4.999 3.494 291 HG12 VAL 35 2HG1 VAL 35 -8.976 4.800 5.232 292 HG13 VAL 35 3HG1 VAL 35 -7.535 4.163 4.435 293 HG21 VAL 35 3HG2 VAL 35 -6.395 7.317 6.222 294 HG22 VAL 35 1HG2 VAL 35 -6.086 5.579 6.114 295 HG23 VAL 35 2HG2 VAL 35 -7.582 6.170 6.838 296 H GLU 36 H GLU 36 -5.715 5.619 1.317 297 HA GLU 36 HA GLU 36 -8.084 6.344 -0.238 298 HB2 GLU 36 2HB GLU 36 -6.516 8.277 -0.466 299 HB3 GLU 36 3HB GLU 36 -5.268 7.185 -1.058 300 HG2 GLU 36 2HG GLU 36 -6.699 6.633 -3.016 301 HG3 GLU 36 3HG GLU 36 -7.930 7.739 -2.426 302 H ILE 37 H ILE 37 -8.400 5.030 -1.998 303 HA ILE 37 HA ILE 37 -7.023 2.469 -1.944 304 HB ILE 37 HB ILE 37 -9.357 3.289 -3.744 305 HG12 ILE 37 2HG1 ILE 37 -9.527 2.007 -0.965 306 HG13 ILE 37 3HG1 ILE 37 -9.923 3.683 -1.316 307 HG21 ILE 37 1HG2 ILE 37 -8.179 1.221 -4.402 308 HG22 ILE 37 2HG2 ILE 37 -9.808 0.857 -3.834 309 HG23 ILE 37 3HG2 ILE 37 -8.418 0.549 -2.788 310 HD11 ILE 37 3HD1 ILE 37 -11.909 2.347 -1.108 311 HD12 ILE 37 1HD1 ILE 37 -11.354 1.265 -2.385 312 HD13 ILE 37 2HD1 ILE 37 -11.752 2.945 -2.760 313 H ALA 38 H ALA 38 -5.670 1.785 -3.503 314 HA ALA 38 HA ALA 38 -5.026 3.396 -5.885 315 HB1 ALA 38 3HB ALA 38 -3.384 3.918 -4.108 316 HB2 ALA 38 1HB ALA 38 -2.623 3.052 -5.444 317 HB3 ALA 38 2HB ALA 38 -3.009 2.205 -3.944 318 H GLU 39 H GLU 39 -3.491 2.054 -7.318 319 HA GLU 39 HA GLU 39 -4.173 -0.832 -7.243 320 HB2 GLU 39 2HB GLU 39 -3.904 0.864 -9.776 321 HB3 GLU 39 3HB GLU 39 -4.155 -0.881 -9.720 322 HG2 GLU 39 2HG GLU 39 -6.333 -0.372 -8.443 323 HG3 GLU 39 3HG GLU 39 -6.100 1.304 -8.931 324 H ILE 40 H ILE 40 -2.498 -2.230 -7.717 325 HA ILE 40 HA ILE 40 0.170 -1.163 -7.268 326 HB ILE 40 HB ILE 40 -0.855 -4.030 -7.457 327 HG12 ILE 40 2HG1 ILE 40 -0.066 -2.326 -5.035 328 HG13 ILE 40 3HG1 ILE 40 -1.713 -2.710 -5.511 329 HG21 ILE 40 1HG2 ILE 40 1.915 -3.059 -6.620 330 HG22 ILE 40 2HG2 ILE 40 1.539 -3.976 -8.080 331 HG23 ILE 40 3HG2 ILE 40 1.339 -4.724 -6.497 332 HD11 ILE 40 3HD1 ILE 40 -0.975 -4.030 -3.628 333 HD12 ILE 40 1HD1 ILE 40 0.349 -4.694 -4.580 334 HD13 ILE 40 2HD1 ILE 40 -1.323 -5.050 -5.021 335 H ARG 41 H ARG 41 1.338 -0.496 -8.909 336 HA ARG 41 HA ARG 41 0.927 -1.218 -11.667 337 HB2 ARG 41 2HB ARG 41 3.199 0.373 -10.398 338 HB3 ARG 41 3HB ARG 41 2.788 0.341 -12.110 339 HG2 ARG 41 2HG ARG 41 0.609 1.428 -11.592 340 HG3 ARG 41 3HG ARG 41 1.062 1.489 -9.888 341 HD2 ARG 41 2HD ARG 41 1.445 3.655 -10.948 342 HD3 ARG 41 3HD ARG 41 2.986 2.944 -10.460 343 HE ARG 41 HE ARG 41 1.961 2.863 -13.242 344 HH11 ARG 41 1HH1 ARG 41 4.627 3.287 -11.022 345 HH12 ARG 41 2HH1 ARG 41 5.777 3.614 -12.276 346 HH21 ARG 41 1HH2 ARG 41 3.466 3.285 -14.879 347 HH22 ARG 41 2HH2 ARG 41 5.122 3.608 -14.475 348 H ASN 42 H ASN 42 3.535 -1.712 -9.295 349 HA ASN 42 HA ASN 42 4.391 -4.194 -10.621 350 HB2 ASN 42 2HB ASN 42 5.786 -2.303 -11.558 351 HB3 ASN 42 3HB ASN 42 6.322 -1.927 -9.927 352 HD21 ASN 42 1HD2 ASN 42 8.483 -2.268 -10.514 353 HD22 ASN 42 2HD2 ASN 42 9.134 -3.842 -10.801 354 H VAL 43 H VAL 43 5.864 -5.471 -9.124 355 HA VAL 43 HA VAL 43 5.904 -4.511 -6.326 356 HB VAL 43 HB VAL 43 4.138 -6.189 -6.374 357 HG11 VAL 43 1HG1 VAL 43 4.468 -8.529 -7.066 358 HG12 VAL 43 2HG1 VAL 43 6.105 -8.148 -7.608 359 HG13 VAL 43 3HG1 VAL 43 4.715 -7.415 -8.412 360 HG21 VAL 43 3HG2 VAL 43 6.647 -7.363 -5.107 361 HG22 VAL 43 1HG2 VAL 43 4.987 -7.825 -4.713 362 HG23 VAL 43 2HG2 VAL 43 5.551 -6.190 -4.373 363 H VAL 44 H VAL 44 7.923 -4.268 -5.705 364 HA VAL 44 HA VAL 44 10.062 -6.083 -6.598 365 HB VAL 44 HB VAL 44 11.594 -3.931 -6.808 366 HG11 VAL 44 1HG1 VAL 44 9.638 -4.634 -9.029 367 HG12 VAL 44 2HG1 VAL 44 11.142 -5.483 -8.663 368 HG13 VAL 44 3HG1 VAL 44 11.190 -3.813 -9.233 369 HG21 VAL 44 3HG2 VAL 44 9.918 -2.256 -6.081 370 HG22 VAL 44 1HG2 VAL 44 8.876 -2.685 -7.443 371 HG23 VAL 44 2HG2 VAL 44 10.445 -1.928 -7.729 372 H GLU 45 H GLU 45 9.745 -6.895 -4.534 373 HA GLU 45 HA GLU 45 11.062 -5.399 -2.337 374 HB2 GLU 45 2HB GLU 45 10.176 -7.462 -0.979 375 HB3 GLU 45 3HB GLU 45 9.073 -6.180 -1.440 376 HG2 GLU 45 2HG GLU 45 7.986 -8.312 -1.746 377 HG3 GLU 45 3HG GLU 45 8.245 -7.569 -3.323 378 H ASN 46 H ASN 46 11.561 -7.713 -4.719 379 HA ASN 46 HA ASN 46 13.304 -8.895 -5.426 380 HB2 ASN 46 2HB ASN 46 14.910 -7.391 -3.325 381 HB3 ASN 46 3HB ASN 46 15.588 -8.317 -4.659 382 HD21 ASN 46 1HD2 ASN 46 15.962 -5.499 -4.054 383 HD22 ASN 46 2HD2 ASN 46 15.399 -4.624 -5.435 384 H THR 47 H THR 47 11.728 -10.446 -4.053 385 HA THR 47 HA THR 47 13.142 -12.148 -2.222 386 HB THR 47 HB THR 47 10.728 -12.399 -2.418 387 HG1 THR 47 HG1 THR 47 11.878 -14.295 -1.906 388 HG21 THR 47 3HG2 THR 47 11.144 -13.274 -5.304 389 HG22 THR 47 1HG2 THR 47 10.376 -11.769 -4.772 390 HG23 THR 47 2HG2 THR 47 9.613 -13.325 -4.433 391 H ALA 48 H ALA 48 12.955 -11.848 -5.705 392 HA ALA 48 HA ALA 48 15.440 -12.924 -6.384 393 HB1 ALA 48 3HB ALA 48 13.105 -14.840 -6.839 394 HB2 ALA 48 1HB ALA 48 14.465 -15.098 -5.746 395 HB3 ALA 48 2HB ALA 48 14.736 -15.051 -7.486 396 H ASN 49 H ASN 49 15.303 -13.498 -8.945 397 HA ASN 49 HA ASN 49 14.123 -11.364 -10.397 398 HB2 ASN 49 2HB ASN 49 15.061 -14.098 -11.384 399 HB3 ASN 49 3HB ASN 49 14.607 -12.768 -12.444 400 HD21 ASN 49 1HD2 ASN 49 17.030 -13.982 -10.282 401 HD22 ASN 49 2HD2 ASN 49 18.242 -12.815 -10.666 402 HA PRO 50 HA PRO 50 9.935 -13.067 -9.922 403 HB2 PRO 50 2HB PRO 50 8.980 -10.797 -11.600 404 HB3 PRO 50 3HB PRO 50 8.616 -11.166 -9.911 405 HG2 PRO 50 2HG PRO 50 10.201 -9.084 -10.592 406 HG3 PRO 50 3HG PRO 50 10.482 -10.029 -9.114 407 HD2 PRO 50 2HD PRO 50 11.901 -10.228 -11.779 408 HD3 PRO 50 3HD PRO 50 12.586 -10.213 -10.135 409 H HIS 51 H HIS 51 10.624 -14.878 -11.307 410 HA HIS 51 HA HIS 51 9.677 -14.826 -14.097 411 HB2 HIS 51 2HB HIS 51 11.851 -15.935 -13.676 412 HB3 HIS 51 3HB HIS 51 11.107 -16.998 -12.486 413 HD1 HIS 51 HD1 HIS 51 9.443 -18.846 -13.442 414 HD2 HIS 51 HD2 HIS 51 11.653 -16.819 -16.312 415 HE1 HIS 51 HE1 HIS 51 9.189 -20.171 -15.546 416 HE2 HIS 51 HE2 HIS 51 10.412 -18.852 -17.301 417 H PHE 52 H PHE 52 7.486 -14.459 -13.474 418 HA PHE 52 HA PHE 52 6.046 -16.860 -12.459 419 HB2 PHE 52 2HB PHE 52 5.300 -13.952 -11.907 420 HB3 PHE 52 3HB PHE 52 4.438 -15.371 -11.319 421 HD1 PHE 52 HD2 PHE 52 6.168 -17.108 -10.020 422 HD2 PHE 52 HD1 PHE 52 6.588 -12.856 -10.265 423 HE1 PHE 52 HE2 PHE 52 7.534 -17.120 -7.983 424 HE2 PHE 52 HE1 PHE 52 7.954 -12.880 -8.220 425 HZ PHE 52 HZ PHE 52 8.427 -15.009 -7.073 426 H VAL 53 H VAL 53 6.716 -15.477 -15.187 427 HA VAL 53 HA VAL 53 5.807 -14.976 -17.174 428 HB VAL 53 HB VAL 53 3.420 -16.644 -16.234 429 HG11 VAL 53 1HG1 VAL 53 4.293 -15.940 -19.071 430 HG12 VAL 53 2HG1 VAL 53 2.861 -15.325 -18.242 431 HG13 VAL 53 3HG1 VAL 53 2.977 -17.038 -18.648 432 HG21 VAL 53 3HG2 VAL 53 4.506 -18.553 -17.355 433 HG22 VAL 53 1HG2 VAL 53 5.548 -17.906 -16.083 434 HG23 VAL 53 2HG2 VAL 53 5.886 -17.537 -17.776 435 H ARG 54 H ARG 54 5.871 -12.892 -16.133 436 HA ARG 54 HA ARG 54 5.281 -10.804 -15.723 437 HB2 ARG 54 2HB ARG 54 3.745 -9.723 -17.191 438 HB3 ARG 54 3HB ARG 54 4.474 -11.036 -18.095 439 HG2 ARG 54 2HG ARG 54 2.437 -12.384 -17.855 440 HG3 ARG 54 3HG ARG 54 1.711 -11.125 -16.857 441 HD2 ARG 54 2HD ARG 54 2.503 -10.839 -19.769 442 HD3 ARG 54 3HD ARG 54 0.858 -11.057 -19.167 443 HE ARG 54 HE ARG 54 2.557 -8.669 -18.736 444 HH11 ARG 54 1HH1 ARG 54 -0.662 -10.083 -18.840 445 HH12 ARG 54 2HH1 ARG 54 -1.453 -8.547 -18.704 446 HH21 ARG 54 1HH2 ARG 54 1.491 -6.692 -18.543 447 HH22 ARG 54 2HH2 ARG 54 -0.242 -6.637 -18.525 448 H ARG 55 H ARG 55 3.801 -13.028 -14.037 449 HA ARG 55 HA ARG 55 1.526 -11.524 -13.006 450 HB2 ARG 55 2HB ARG 55 2.655 -14.258 -12.314 451 HB3 ARG 55 3HB ARG 55 1.338 -13.526 -11.401 452 HG2 ARG 55 2HG ARG 55 -0.030 -13.428 -13.476 453 HG3 ARG 55 3HG ARG 55 1.279 -14.227 -14.355 454 HD2 ARG 55 2HD ARG 55 -0.199 -15.406 -11.975 455 HD3 ARG 55 3HD ARG 55 -0.524 -15.799 -13.667 456 HE ARG 55 HE ARG 55 1.914 -16.537 -13.711 457 HH11 ARG 55 1HH1 ARG 55 -0.055 -16.860 -10.812 458 HH12 ARG 55 2HH1 ARG 55 0.852 -18.210 -10.209 459 HH21 ARG 55 1HH2 ARG 55 3.075 -18.279 -12.926 460 HH22 ARG 55 2HH2 ARG 55 2.638 -19.021 -11.419 461 H ASN 56 H ASN 56 1.353 -10.609 -11.056 462 HA ASN 56 HA ASN 56 3.811 -9.960 -9.590 463 HB2 ASN 56 2HB ASN 56 2.448 -8.117 -8.593 464 HB3 ASN 56 3HB ASN 56 2.524 -8.033 -10.344 465 HD21 ASN 56 1HD2 ASN 56 0.620 -6.726 -8.690 466 HD22 ASN 56 2HD2 ASN 56 -0.945 -7.330 -9.104 467 H ILE 57 H ILE 57 4.135 -11.812 -8.323 468 HA ILE 57 HA ILE 57 2.075 -12.862 -6.588 469 HB ILE 57 HB ILE 57 5.081 -13.385 -6.562 470 HG12 ILE 57 2HG1 ILE 57 4.091 -14.156 -8.660 471 HG13 ILE 57 3HG1 ILE 57 4.458 -15.559 -7.665 472 HG21 ILE 57 1HG2 ILE 57 4.551 -15.384 -5.181 473 HG22 ILE 57 2HG2 ILE 57 2.863 -14.880 -5.105 474 HG23 ILE 57 3HG2 ILE 57 4.113 -13.885 -4.357 475 HD11 ILE 57 3HD1 ILE 57 2.336 -15.817 -8.812 476 HD12 ILE 57 1HD1 ILE 57 1.720 -14.336 -8.082 477 HD13 ILE 57 2HD1 ILE 57 2.076 -15.737 -7.073 478 H ILE 58 H ILE 58 1.341 -11.508 -5.161 479 HA ILE 58 HA ILE 58 3.060 -9.681 -3.616 480 HB ILE 58 HB ILE 58 0.030 -9.781 -3.989 481 HG12 ILE 58 2HG1 ILE 58 2.036 -7.789 -5.158 482 HG13 ILE 58 3HG1 ILE 58 1.405 -9.168 -6.046 483 HG21 ILE 58 1HG2 ILE 58 0.601 -8.759 -1.820 484 HG22 ILE 58 2HG2 ILE 58 -0.014 -7.538 -2.931 485 HG23 ILE 58 3HG2 ILE 58 1.720 -7.646 -2.617 486 HD11 ILE 58 3HD1 ILE 58 -0.226 -6.890 -4.973 487 HD12 ILE 58 1HD1 ILE 58 -0.834 -8.263 -5.903 488 HD13 ILE 58 2HD1 ILE 58 0.288 -7.119 -6.642 489 H THR 59 H THR 59 3.564 -10.227 -1.610 490 HA THR 59 HA THR 59 1.913 -12.126 -0.035 491 HB THR 59 HB THR 59 4.109 -12.801 1.048 492 HG1 THR 59 HG1 THR 59 5.552 -11.784 -1.114 493 HG21 THR 59 3HG2 THR 59 4.004 -13.259 -1.964 494 HG22 THR 59 1HG2 THR 59 3.172 -14.230 -0.747 495 HG23 THR 59 2HG2 THR 59 4.934 -14.212 -0.805 496 H ARG 60 H ARG 60 2.300 -11.804 2.386 497 HA ARG 60 HA ARG 60 2.040 -9.027 3.085 498 HB2 ARG 60 2HB ARG 60 0.755 -10.786 4.272 499 HB3 ARG 60 3HB ARG 60 2.251 -11.479 4.897 500 HG2 ARG 60 2HG ARG 60 2.675 -9.472 6.218 501 HG3 ARG 60 3HG ARG 60 1.262 -8.667 5.523 502 HD2 ARG 60 2HD ARG 60 0.796 -9.536 7.782 503 HD3 ARG 60 3HD ARG 60 -0.214 -10.329 6.569 504 HE ARG 60 HE ARG 60 2.147 -11.830 7.023 505 HH11 ARG 60 1HH1 ARG 60 -0.924 -11.085 8.598 506 HH12 ARG 60 2HH1 ARG 60 -0.960 -12.574 9.486 507 HH21 ARG 60 1HH2 ARG 60 2.051 -13.789 8.190 508 HH22 ARG 60 2HH2 ARG 60 0.706 -14.104 9.240 509 H GLY 61 H GLY 61 3.552 -7.685 3.920 510 HA2 GLY 61 2HA GLY 61 5.606 -6.933 4.748 511 HA3 GLY 61 3HA GLY 61 6.264 -8.553 4.588 512 H ALA 62 H ALA 62 4.713 -7.909 1.735 513 HA ALA 62 HA ALA 62 7.181 -7.510 0.289 514 HB1 ALA 62 3HB ALA 62 4.327 -7.584 -0.753 515 HB2 ALA 62 1HB ALA 62 5.398 -8.980 -0.605 516 HB3 ALA 62 2HB ALA 62 5.791 -7.677 -1.732 517 H VAL 63 H VAL 63 7.716 -5.744 -1.032 518 HA VAL 63 HA VAL 63 6.451 -3.154 -0.414 519 HB VAL 63 HB VAL 63 9.104 -3.693 -1.858 520 HG11 VAL 63 1HG1 VAL 63 7.950 -1.085 -0.778 521 HG12 VAL 63 2HG1 VAL 63 8.116 -1.526 -2.479 522 HG13 VAL 63 3HG1 VAL 63 9.556 -1.280 -1.494 523 HG21 VAL 63 3HG2 VAL 63 8.682 -2.847 1.039 524 HG22 VAL 63 1HG2 VAL 63 10.239 -2.989 0.215 525 HG23 VAL 63 2HG2 VAL 63 9.257 -4.425 0.496 526 H VAL 64 H VAL 64 4.897 -2.720 -1.795 527 HA VAL 64 HA VAL 64 5.049 -3.586 -4.611 528 HB VAL 64 HB VAL 64 2.596 -3.246 -4.709 529 HG11 VAL 64 1HG1 VAL 64 3.429 -5.487 -4.197 530 HG12 VAL 64 2HG1 VAL 64 1.923 -5.192 -3.332 531 HG13 VAL 64 3HG1 VAL 64 3.463 -5.116 -2.471 532 HG21 VAL 64 3HG2 VAL 64 2.735 -2.677 -1.715 533 HG22 VAL 64 1HG2 VAL 64 1.257 -2.890 -2.666 534 HG23 VAL 64 2HG2 VAL 64 2.313 -1.515 -2.974 535 H GLU 65 H GLU 65 4.756 -2.118 -6.193 536 HA GLU 65 HA GLU 65 5.235 0.720 -5.550 537 HB2 GLU 65 2HB GLU 65 6.972 -0.557 -6.849 538 HB3 GLU 65 3HB GLU 65 5.799 -0.864 -8.115 539 HG2 GLU 65 2HG GLU 65 6.564 1.960 -7.327 540 HG3 GLU 65 3HG GLU 65 7.554 1.027 -8.439 541 H THR 66 H THR 66 3.551 2.075 -5.931 542 HA THR 66 HA THR 66 1.267 1.192 -7.616 543 HB THR 66 HB THR 66 -0.357 2.052 -5.995 544 HG1 THR 66 HG1 THR 66 1.566 2.516 -4.004 545 HG21 THR 66 3HG2 THR 66 -0.046 0.539 -4.059 546 HG22 THR 66 1HG2 THR 66 1.642 0.297 -4.509 547 HG23 THR 66 2HG2 THR 66 0.354 -0.287 -5.566 548 H ASN 67 H ASN 67 -0.298 3.263 -7.774 549 HA ASN 67 HA ASN 67 1.155 5.264 -9.227 550 HB2 ASN 67 2HB ASN 67 -1.033 6.357 -9.562 551 HB3 ASN 67 3HB ASN 67 -1.106 4.638 -9.927 552 HD21 ASN 67 1HD2 ASN 67 -3.186 6.630 -9.091 553 HD22 ASN 67 2HD2 ASN 67 -3.982 5.897 -7.746 554 H LEU 68 H LEU 68 0.389 4.890 -5.905 555 HA LEU 68 HA LEU 68 0.705 7.742 -5.270 556 HB2 LEU 68 2HB LEU 68 0.258 5.357 -3.432 557 HB3 LEU 68 3HB LEU 68 0.222 7.046 -2.957 558 HG LEU 68 HG LEU 68 -1.791 5.643 -4.764 559 HD11 LEU 68 1HD1 LEU 68 -2.152 6.856 -2.007 560 HD12 LEU 68 2HD1 LEU 68 -2.116 5.133 -2.385 561 HD13 LEU 68 3HD1 LEU 68 -3.423 6.140 -3.000 562 HD21 LEU 68 3HD2 LEU 68 -1.684 8.574 -3.987 563 HD22 LEU 68 1HD2 LEU 68 -3.024 7.786 -4.824 564 HD23 LEU 68 2HD2 LEU 68 -1.449 7.909 -5.607 565 H GLY 69 H GLY 69 2.232 4.583 -4.581 566 HA2 GLY 69 2HA GLY 69 4.818 5.107 -5.195 567 HA3 GLY 69 3HA GLY 69 4.674 5.750 -3.557 568 H ASN 70 H ASN 70 6.191 4.157 -2.863 569 HA ASN 70 HA ASN 70 5.622 1.337 -3.065 570 HB2 ASN 70 2HB ASN 70 7.661 2.834 -1.369 571 HB3 ASN 70 3HB ASN 70 7.567 1.080 -1.503 572 HD21 ASN 70 1HD2 ASN 70 7.047 0.855 -4.285 573 HD22 ASN 70 2HD2 ASN 70 8.458 1.391 -5.126 574 H VAL 71 H VAL 71 4.437 0.113 -1.718 575 HA VAL 71 HA VAL 71 3.569 1.140 0.913 576 HB VAL 71 HB VAL 71 1.922 -0.532 -1.047 577 HG11 VAL 71 1HG1 VAL 71 -0.012 -0.002 0.366 578 HG12 VAL 71 2HG1 VAL 71 1.025 0.906 1.467 579 HG13 VAL 71 3HG1 VAL 71 1.238 -0.836 1.291 580 HG21 VAL 71 3HG2 VAL 71 1.682 2.454 -0.557 581 HG22 VAL 71 1HG2 VAL 71 0.598 1.479 -1.553 582 HG23 VAL 71 2HG2 VAL 71 2.281 1.690 -2.031 583 H ARG 72 H ARG 72 3.662 -0.383 2.597 584 HA ARG 72 HA ARG 72 4.739 -3.066 2.058 585 HB2 ARG 72 2HB ARG 72 4.283 -1.466 4.578 586 HB3 ARG 72 3HB ARG 72 4.214 -3.210 4.728 587 HG2 ARG 72 2HG ARG 72 6.593 -1.527 3.907 588 HG3 ARG 72 3HG ARG 72 6.402 -2.509 5.356 589 HD2 ARG 72 2HD ARG 72 6.216 -4.533 3.767 590 HD3 ARG 72 3HD ARG 72 6.829 -3.459 2.510 591 HE ARG 72 HE ARG 72 8.332 -4.802 4.473 592 HH11 ARG 72 1HH1 ARG 72 8.307 -1.626 2.985 593 HH12 ARG 72 2HH1 ARG 72 10.005 -1.388 3.193 594 HH21 ARG 72 1HH2 ARG 72 10.553 -4.468 4.715 595 HH22 ARG 72 2HH2 ARG 72 11.283 -2.992 4.174 596 H VAL 73 H VAL 73 3.439 -4.822 1.886 597 HA VAL 73 HA VAL 73 0.568 -4.616 2.123 598 HB VAL 73 HB VAL 73 2.345 -7.075 1.720 599 HG11 VAL 73 1HG1 VAL 73 0.302 -8.159 0.814 600 HG12 VAL 73 2HG1 VAL 73 -0.651 -6.748 1.284 601 HG13 VAL 73 3HG1 VAL 73 0.131 -7.735 2.520 602 HG21 VAL 73 3HG2 VAL 73 0.909 -5.373 -0.354 603 HG22 VAL 73 1HG2 VAL 73 1.836 -6.839 -0.674 604 HG23 VAL 73 2HG2 VAL 73 2.650 -5.401 -0.065 605 H THR 74 H THR 74 -0.382 -4.611 4.112 606 HA THR 74 HA THR 74 1.069 -5.789 6.425 607 HB THR 74 HB THR 74 -0.352 -4.300 7.845 608 HG1 THR 74 HG1 THR 74 -2.052 -3.430 6.986 609 HG21 THR 74 3HG2 THR 74 0.676 -2.138 7.224 610 HG22 THR 74 1HG2 THR 74 1.113 -2.783 5.640 611 HG23 THR 74 2HG2 THR 74 1.851 -3.448 7.100 612 H SER 75 H SER 75 -2.121 -5.466 4.941 613 HA SER 75 HA SER 75 -3.172 -7.807 6.378 614 HB2 SER 75 2HB SER 75 -4.550 -6.015 4.324 615 HB3 SER 75 3HB SER 75 -5.324 -7.226 5.358 616 HG SER 75 HG SER 75 -3.940 -5.582 6.911 617 H ARG 76 H ARG 76 -3.487 -9.763 5.383 618 HA ARG 76 HA ARG 76 -1.907 -10.493 3.186 619 HB2 ARG 76 2HB ARG 76 -4.194 -11.947 4.549 620 HB3 ARG 76 3HB ARG 76 -3.211 -12.681 3.288 621 HG2 ARG 76 2HG ARG 76 -1.188 -12.306 4.747 622 HG3 ARG 76 3HG ARG 76 -2.280 -11.770 6.026 623 HD2 ARG 76 2HD ARG 76 -1.618 -14.162 6.263 624 HD3 ARG 76 3HD ARG 76 -3.365 -13.952 6.076 625 HE ARG 76 HE ARG 76 -2.779 -14.422 3.567 626 HH11 ARG 76 1HH1 ARG 76 -1.367 -16.078 6.329 627 HH12 ARG 76 2HH1 ARG 76 -1.053 -17.528 5.434 628 HH21 ARG 76 1HH2 ARG 76 -2.392 -16.297 2.436 629 HH22 ARG 76 2HH2 ARG 76 -1.656 -17.655 3.219 630 HA PRO 77 HA PRO 77 -4.209 -9.037 -0.340 631 HB2 PRO 77 2HB PRO 77 -3.097 -11.534 -1.652 632 HB3 PRO 77 3HB PRO 77 -3.086 -9.857 -2.228 633 HG2 PRO 77 2HG PRO 77 -0.872 -10.869 -1.176 634 HG3 PRO 77 3HG PRO 77 -1.371 -9.218 -0.731 635 HD2 PRO 77 2HD PRO 77 -1.667 -11.784 0.839 636 HD3 PRO 77 3HD PRO 77 -1.190 -10.163 1.404 637 H GLY 78 H GLY 78 -6.391 -9.207 -0.239 638 HA2 GLY 78 2HA GLY 78 -8.354 -9.867 -1.241 639 HA3 GLY 78 3HA GLY 78 -7.552 -11.306 -1.834 640 H GLN 79 H GLN 79 -7.439 -10.751 1.614 641 HA GLN 79 HA GLN 79 -9.000 -13.107 2.138 642 HB2 GLN 79 2HB GLN 79 -7.990 -11.011 4.103 643 HB3 GLN 79 3HB GLN 79 -8.682 -12.569 4.543 644 HG2 GLN 79 2HG GLN 79 -6.047 -12.034 3.153 645 HG3 GLN 79 3HG GLN 79 -6.318 -12.764 4.734 646 HE21 GLN 79 1HE2 GLN 79 -7.144 -14.931 4.797 647 HE22 GLN 79 2HE2 GLN 79 -6.936 -16.003 3.456 648 H ASP 80 H ASP 80 -9.544 -9.630 2.825 649 HA ASP 80 HA ASP 80 -12.425 -10.001 3.196 650 HB2 ASP 80 2HB ASP 80 -10.618 -7.548 3.172 651 HB3 ASP 80 3HB ASP 80 -12.369 -7.415 3.297 652 H GLY 81 H GLY 81 -10.444 -9.926 0.556 653 HA2 GLY 81 2HA GLY 81 -11.429 -10.195 -1.643 654 HA3 GLY 81 3HA GLY 81 -12.558 -8.900 -1.265 655 H VAL 82 H VAL 82 -9.852 -7.790 0.080 656 HA VAL 82 HA VAL 82 -8.621 -6.690 -2.360 657 HB VAL 82 HB VAL 82 -10.478 -5.176 -1.567 658 HG11 VAL 82 1HG1 VAL 82 -10.236 -3.883 0.507 659 HG12 VAL 82 2HG1 VAL 82 -8.789 -4.802 0.926 660 HG13 VAL 82 3HG1 VAL 82 -10.355 -5.611 0.840 661 HG21 VAL 82 3HG2 VAL 82 -8.627 -4.197 -2.847 662 HG22 VAL 82 1HG2 VAL 82 -7.705 -3.942 -1.361 663 HG23 VAL 82 2HG2 VAL 82 -9.208 -3.055 -1.635 664 H ILE 83 H ILE 83 -6.533 -5.582 -1.858 665 HA ILE 83 HA ILE 83 -5.048 -6.782 0.398 666 HB ILE 83 HB ILE 83 -3.978 -4.923 -1.794 667 HG12 ILE 83 2HG1 ILE 83 -4.041 -7.972 -1.868 668 HG13 ILE 83 3HG1 ILE 83 -5.051 -6.917 -2.842 669 HG21 ILE 83 1HG2 ILE 83 -2.533 -6.931 -0.014 670 HG22 ILE 83 2HG2 ILE 83 -2.498 -5.176 0.165 671 HG23 ILE 83 3HG2 ILE 83 -1.781 -5.927 -1.259 672 HD11 ILE 83 3HD1 ILE 83 -3.236 -7.809 -4.134 673 HD12 ILE 83 1HD1 ILE 83 -2.055 -7.152 -3.003 674 HD13 ILE 83 2HD1 ILE 83 -3.055 -6.064 -3.970 675 H ASN 84 H ASN 84 -4.172 -5.416 2.083 676 HA ASN 84 HA ASN 84 -4.621 -2.485 1.865 677 HB2 ASN 84 2HB ASN 84 -5.079 -4.139 4.402 678 HB3 ASN 84 3HB ASN 84 -5.006 -2.385 4.364 679 HD21 ASN 84 1HD2 ASN 84 -7.065 -2.063 5.106 680 HD22 ASN 84 2HD2 ASN 84 -8.488 -2.463 4.213 681 H GLY 85 H GLY 85 -3.101 -1.213 3.151 682 HA2 GLY 85 2HA GLY 85 -0.761 -2.397 4.287 683 HA3 GLY 85 3HA GLY 85 -0.470 -1.865 2.635 684 H VAL 86 H VAL 86 1.174 -0.613 3.989 685 HA VAL 86 HA VAL 86 0.041 2.012 4.780 686 HB VAL 86 HB VAL 86 1.909 2.285 6.433 687 HG11 VAL 86 1HG1 VAL 86 0.142 -0.133 6.965 688 HG12 VAL 86 2HG1 VAL 86 -0.299 1.558 7.220 689 HG13 VAL 86 3HG1 VAL 86 0.981 0.827 8.191 690 HG21 VAL 86 3HG2 VAL 86 3.218 0.324 7.181 691 HG22 VAL 86 1HG2 VAL 86 3.543 0.684 5.486 692 HG23 VAL 86 2HG2 VAL 86 2.487 -0.662 5.914 693 H LEU 87 H LEU 87 0.985 3.839 3.901 694 HA LEU 87 HA LEU 87 2.750 3.466 1.644 695 HB2 LEU 87 2HB LEU 87 0.960 5.221 1.741 696 HB3 LEU 87 3HB LEU 87 1.912 6.084 2.932 697 HG LEU 87 HG LEU 87 3.746 6.379 1.229 698 HD11 LEU 87 1HD1 LEU 87 1.773 5.152 -0.734 699 HD12 LEU 87 2HD1 LEU 87 3.286 4.421 -0.195 700 HD13 LEU 87 3HD1 LEU 87 3.316 5.902 -1.145 701 HD21 LEU 87 3HD2 LEU 87 2.628 8.089 -0.137 702 HD22 LEU 87 1HD2 LEU 87 2.075 8.175 1.534 703 HD23 LEU 87 2HD2 LEU 87 1.048 7.439 0.303 704 H ILE 88 H ILE 88 4.898 3.383 1.707 705 HA ILE 88 HA ILE 88 6.364 4.171 4.173 706 HB ILE 88 HB ILE 88 7.903 2.217 3.642 707 HG12 ILE 88 2HG1 ILE 88 5.763 1.654 1.537 708 HG13 ILE 88 3HG1 ILE 88 7.457 1.995 1.238 709 HG21 ILE 88 1HG2 ILE 88 6.378 0.448 4.483 710 HG22 ILE 88 2HG2 ILE 88 4.987 1.474 4.128 711 HG23 ILE 88 3HG2 ILE 88 6.150 1.964 5.362 712 HD11 ILE 88 3HD1 ILE 88 7.055 -0.302 0.859 713 HD12 ILE 88 1HD1 ILE 88 6.272 -0.493 2.427 714 HD13 ILE 88 2HD1 ILE 88 8.004 -0.170 2.340 715 H ARG 89 H ARG 89 8.773 4.350 3.795 716 HA ARG 89 HA ARG 89 9.335 5.904 1.330 717 HB2 ARG 89 2HB ARG 89 10.846 6.189 3.959 718 HB3 ARG 89 3HB ARG 89 10.759 7.330 2.628 719 HG2 ARG 89 2HG ARG 89 8.522 6.685 4.576 720 HG3 ARG 89 3HG ARG 89 9.510 8.145 4.578 721 HD2 ARG 89 2HD ARG 89 8.509 8.934 2.549 722 HD3 ARG 89 3HD ARG 89 7.764 7.367 2.215 723 HE ARG 89 HE ARG 89 6.933 8.659 4.682 724 HH11 ARG 89 1HH1 ARG 89 6.184 8.239 1.267 725 HH12 ARG 89 2HH1 ARG 89 4.503 8.607 1.477 726 HH21 ARG 89 1HH2 ARG 89 4.736 9.107 4.929 727 HH22 ARG 89 2HH2 ARG 89 3.678 9.083 3.551 728 H GLU 90 H GLU 90 10.184 4.218 0.055 729 HA GLU 90 HA GLU 90 12.493 2.674 1.126 730 HB2 GLU 90 2HB GLU 90 10.348 1.752 -0.822 731 HB3 GLU 90 3HB GLU 90 11.750 0.802 -0.359 732 HG2 GLU 90 2HG GLU 90 9.585 1.730 1.524 733 HG3 GLU 90 3HG GLU 90 9.660 0.137 0.790 734 H LEU 91 H LEU 91 11.014 3.135 -2.096 735 HA LEU 91 HA LEU 91 13.744 3.329 -3.239 736 HB2 LEU 91 2HB LEU 91 11.204 2.383 -4.630 737 HB3 LEU 91 3HB LEU 91 12.844 2.276 -5.240 738 HG LEU 91 HG LEU 91 11.806 0.727 -2.838 739 HD11 LEU 91 1HD1 LEU 91 10.708 -0.036 -4.887 740 HD12 LEU 91 2HD1 LEU 91 11.839 -1.250 -4.293 741 HD13 LEU 91 3HD1 LEU 91 12.280 -0.239 -5.669 742 HD21 LEU 91 3HD2 LEU 91 14.226 1.128 -2.698 743 HD22 LEU 91 1HD2 LEU 91 14.438 0.475 -4.329 744 HD23 LEU 91 2HD2 LEU 91 13.888 -0.572 -3.020 745 H GLU 92 H GLU 92 14.199 4.931 -4.688 746 HA GLU 92 HA GLU 92 12.332 7.125 -5.125 747 HB2 GLU 92 2HB GLU 92 14.785 7.449 -4.644 748 HB3 GLU 92 3HB GLU 92 15.163 6.670 -6.176 749 HG2 GLU 92 2HG GLU 92 14.101 8.503 -7.408 750 HG3 GLU 92 3HG GLU 92 13.588 9.256 -5.900 751 H HIS 93 H HIS 93 12.090 7.921 -7.494 752 HA HIS 93 HA HIS 93 11.002 5.936 -9.174 753 HB2 HIS 93 2HB HIS 93 10.307 8.284 -9.312 754 HB3 HIS 93 3HB HIS 93 11.913 8.758 -9.843 755 HD1 HIS 93 HD1 HIS 93 12.582 8.080 -12.310 756 HD2 HIS 93 HD2 HIS 93 8.622 7.336 -11.319 757 HE1 HIS 93 HE1 HIS 93 11.407 7.697 -14.485 758 HE2 HIS 93 HE2 HIS 93 9.049 7.095 -13.849 759 H HIS 94 H HIS 94 12.391 4.294 -9.679 760 HA HIS 94 HA HIS 94 15.110 4.694 -10.545 761 HB2 HIS 94 2HB HIS 94 13.374 2.187 -10.517 762 HB3 HIS 94 3HB HIS 94 15.092 2.204 -10.894 763 HD1 HIS 94 HD1 HIS 94 13.884 0.565 -8.540 764 HD2 HIS 94 HD2 HIS 94 15.625 4.320 -8.141 765 HE1 HIS 94 HE1 HIS 94 14.662 0.711 -6.164 766 HE2 HIS 94 HE2 HIS 94 15.882 2.893 -6.008 767 H HIS 95 H HIS 95 15.964 4.255 -12.602 768 HA HIS 95 HA HIS 95 14.224 4.603 -14.912 769 HB2 HIS 95 2HB HIS 95 17.232 4.117 -14.806 770 HB3 HIS 95 3HB HIS 95 16.319 4.631 -16.220 771 HD1 HIS 95 HD1 HIS 95 18.721 6.216 -14.880 772 HD2 HIS 95 HD2 HIS 95 14.690 7.077 -14.378 773 HE1 HIS 95 HE1 HIS 95 18.616 8.635 -14.243 774 HE2 HIS 95 HE2 HIS 95 16.194 9.068 -13.744 775 H HIS 96 H HIS 96 15.999 2.098 -13.285 776 HA HIS 96 HA HIS 96 16.079 -0.131 -13.338 777 HB2 HIS 96 2HB HIS 96 13.736 0.142 -12.671 778 HB3 HIS 96 3HB HIS 96 13.230 0.185 -14.358 779 HD1 HIS 96 HD1 HIS 96 12.271 -1.996 -15.079 780 HD2 HIS 96 HD2 HIS 96 15.198 -2.537 -12.191 781 HE1 HIS 96 HE1 HIS 96 12.437 -4.473 -14.744 782 HE2 HIS 96 HE2 HIS 96 14.302 -4.775 -13.084 783 H HIS 97 H HIS 97 17.718 -0.316 -14.874 784 HA HIS 97 HA HIS 97 16.907 -1.610 -17.419 785 HB2 HIS 97 2HB HIS 97 19.278 0.281 -17.047 786 HB3 HIS 97 3HB HIS 97 18.915 -0.618 -18.516 787 HD1 HIS 97 HD1 HIS 97 18.589 2.662 -17.227 788 HD2 HIS 97 HD2 HIS 97 16.058 0.195 -19.420 789 HE1 HIS 97 HE1 HIS 97 16.954 4.193 -18.351 790 HE2 HIS 97 HE2 HIS 97 15.307 2.666 -19.476 791 H HIS 98 H HIS 98 17.038 -3.258 -15.542 792 HA HIS 98 HA HIS 98 17.996 -4.918 -14.363 793 HB2 HIS 98 2HB HIS 98 19.298 -6.536 -15.765 794 HB3 HIS 98 3HB HIS 98 17.775 -6.025 -16.478 795 HD1 HIS 98 HD1 HIS 98 21.506 -5.375 -16.835 796 HD2 HIS 98 HD2 HIS 98 18.015 -5.031 -19.046 797 HE1 HIS 98 HE1 HIS 98 22.231 -4.681 -19.126 798 HE2 HIS 98 HE2 HIS 98 20.095 -4.322 -20.391 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -41.142 44.323 6.825 2 H2 GLY 1 2H GLY 1 -40.833 42.714 7.233 3 H3 GLY 1 3H GLY 1 -42.320 43.145 6.556 4 HA2 GLY 1 2HA GLY 1 -41.233 43.786 4.498 5 HA3 GLY 1 3HA GLY 1 -39.691 43.332 5.198 6 H ASP 2 H ASP 2 -39.741 42.038 3.102 7 HA ASP 2 HA ASP 2 -41.134 39.444 3.440 8 HB2 ASP 2 2HB ASP 2 -39.763 40.650 0.993 9 HB3 ASP 2 3HB ASP 2 -40.517 39.057 1.038 10 H ARG 3 H ARG 3 -39.928 38.079 4.614 11 HA ARG 3 HA ARG 3 -37.034 37.982 4.474 12 HB2 ARG 3 2HB ARG 3 -39.070 36.209 5.880 13 HB3 ARG 3 3HB ARG 3 -37.326 35.980 5.986 14 HG2 ARG 3 2HG ARG 3 -37.079 38.214 6.998 15 HG3 ARG 3 3HG ARG 3 -38.823 38.463 6.894 16 HD2 ARG 3 2HD ARG 3 -39.227 36.672 8.484 17 HD3 ARG 3 3HD ARG 3 -37.514 36.225 8.469 18 HE ARG 3 HE ARG 3 -37.224 38.664 9.315 19 HH11 ARG 3 1HH1 ARG 3 -39.896 36.602 10.279 20 HH12 ARG 3 2HH1 ARG 3 -39.956 37.233 11.889 21 HH21 ARG 3 1HH2 ARG 3 -37.297 39.443 11.443 22 HH22 ARG 3 2HH2 ARG 3 -38.498 38.846 12.542 23 H ARG 4 H ARG 4 -36.540 37.517 2.353 24 HA ARG 4 HA ARG 4 -37.733 35.536 0.727 25 HB2 ARG 4 2HB ARG 4 -34.971 36.807 0.450 26 HB3 ARG 4 3HB ARG 4 -35.836 35.938 -0.814 27 HG2 ARG 4 2HG ARG 4 -37.622 37.673 -0.762 28 HG3 ARG 4 3HG ARG 4 -36.712 38.554 0.462 29 HD2 ARG 4 2HD ARG 4 -36.330 39.589 -1.688 30 HD3 ARG 4 3HD ARG 4 -34.837 38.805 -1.166 31 HE ARG 4 HE ARG 4 -35.778 36.883 -2.697 32 HH11 ARG 4 1HH1 ARG 4 -35.852 40.336 -3.405 33 HH12 ARG 4 2HH1 ARG 4 -35.790 40.104 -5.122 34 HH21 ARG 4 1HH2 ARG 4 -35.684 36.615 -4.945 35 HH22 ARG 4 2HH2 ARG 4 -35.682 37.997 -5.993 36 H VAL 5 H VAL 5 -37.822 33.590 1.749 37 HA VAL 5 HA VAL 5 -35.565 32.412 3.101 38 HB VAL 5 HB VAL 5 -37.772 32.068 4.061 39 HG11 VAL 5 1HG1 VAL 5 -38.559 30.603 1.517 40 HG12 VAL 5 2HG1 VAL 5 -39.167 32.174 2.042 41 HG13 VAL 5 3HG1 VAL 5 -39.542 30.727 2.982 42 HG21 VAL 5 3HG2 VAL 5 -37.780 29.620 4.372 43 HG22 VAL 5 1HG2 VAL 5 -36.136 30.259 4.428 44 HG23 VAL 5 2HG2 VAL 5 -36.711 29.427 2.981 45 H ARG 6 H ARG 6 -34.134 30.983 2.307 46 HA ARG 6 HA ARG 6 -34.743 29.558 -0.223 47 HB2 ARG 6 2HB ARG 6 -32.313 29.260 -0.535 48 HB3 ARG 6 3HB ARG 6 -32.760 30.955 -0.455 49 HG2 ARG 6 2HG ARG 6 -31.953 30.980 1.942 50 HG3 ARG 6 3HG ARG 6 -31.364 29.331 1.691 51 HD2 ARG 6 2HD ARG 6 -29.478 30.751 1.363 52 HD3 ARG 6 3HD ARG 6 -29.982 30.285 -0.262 53 HE ARG 6 HE ARG 6 -30.495 32.899 1.026 54 HH11 ARG 6 1HH1 ARG 6 -30.228 31.030 -1.933 55 HH12 ARG 6 2HH1 ARG 6 -30.325 32.422 -2.959 56 HH21 ARG 6 1HH2 ARG 6 -30.569 34.711 -0.330 57 HH22 ARG 6 2HH2 ARG 6 -30.487 34.503 -2.051 58 H LEU 7 H LEU 7 -35.927 27.920 0.637 59 HA LEU 7 HA LEU 7 -34.978 26.351 2.898 60 HB2 LEU 7 2HB LEU 7 -37.415 26.910 2.599 61 HB3 LEU 7 3HB LEU 7 -37.439 25.910 1.151 62 HG LEU 7 HG LEU 7 -36.818 23.918 2.572 63 HD11 LEU 7 1HD1 LEU 7 -35.687 25.068 4.405 64 HD12 LEU 7 2HD1 LEU 7 -36.999 24.074 5.029 65 HD13 LEU 7 3HD1 LEU 7 -37.205 25.822 4.904 66 HD21 LEU 7 3HD2 LEU 7 -39.173 24.287 2.014 67 HD22 LEU 7 1HD2 LEU 7 -39.370 25.345 3.416 68 HD23 LEU 7 2HD2 LEU 7 -39.029 23.627 3.641 69 H ILE 8 H ILE 8 -33.061 25.551 2.036 70 HA ILE 8 HA ILE 8 -33.316 23.143 0.432 71 HB ILE 8 HB ILE 8 -32.871 24.756 -1.333 72 HG12 ILE 8 2HG1 ILE 8 -30.281 23.274 -0.677 73 HG13 ILE 8 3HG1 ILE 8 -31.668 22.575 -1.507 74 HG21 ILE 8 1HG2 ILE 8 -30.918 26.284 -1.372 75 HG22 ILE 8 2HG2 ILE 8 -30.477 25.768 0.258 76 HG23 ILE 8 3HG2 ILE 8 -31.988 26.638 -0.010 77 HD11 ILE 8 3HD1 ILE 8 -29.879 23.129 -3.040 78 HD12 ILE 8 1HD1 ILE 8 -29.922 24.814 -2.532 79 HD13 ILE 8 2HD1 ILE 8 -31.304 24.109 -3.383 80 H ARG 9 H ARG 9 -32.129 21.608 1.342 81 HA ARG 9 HA ARG 9 -29.566 22.145 2.617 82 HB2 ARG 9 2HB ARG 9 -31.152 22.358 4.501 83 HB3 ARG 9 3HB ARG 9 -31.858 20.788 4.123 84 HG2 ARG 9 2HG ARG 9 -29.805 19.644 4.752 85 HG3 ARG 9 3HG ARG 9 -28.951 21.179 4.918 86 HD2 ARG 9 2HD ARG 9 -31.309 20.365 6.639 87 HD3 ARG 9 3HD ARG 9 -29.625 20.117 7.098 88 HE ARG 9 HE ARG 9 -30.319 22.858 6.431 89 HH11 ARG 9 1HH1 ARG 9 -30.078 20.508 9.046 90 HH12 ARG 9 2HH1 ARG 9 -29.931 21.718 10.281 91 HH21 ARG 9 1HH2 ARG 9 -30.150 24.422 8.068 92 HH22 ARG 9 2HH2 ARG 9 -29.981 23.936 9.721 93 H THR 10 H THR 10 -28.663 21.067 0.955 94 HA THR 10 HA THR 10 -29.493 18.436 0.080 95 HB THR 10 HB THR 10 -27.440 18.652 -1.415 96 HG1 THR 10 HG1 THR 10 -26.194 20.059 -0.145 97 HG21 THR 10 3HG2 THR 10 -29.394 20.995 -1.526 98 HG22 THR 10 1HG2 THR 10 -29.676 19.392 -2.217 99 HG23 THR 10 2HG2 THR 10 -28.396 20.416 -2.864 100 H ARG 11 H ARG 11 -29.284 17.266 2.051 101 HA ARG 11 HA ARG 11 -26.681 16.867 3.295 102 HB2 ARG 11 2HB ARG 11 -28.863 16.914 4.580 103 HB3 ARG 11 3HB ARG 11 -29.343 15.433 3.770 104 HG2 ARG 11 2HG ARG 11 -26.839 15.563 5.484 105 HG3 ARG 11 3HG ARG 11 -28.428 15.276 6.187 106 HD2 ARG 11 2HD ARG 11 -28.688 13.267 4.763 107 HD3 ARG 11 3HD ARG 11 -27.082 13.551 4.089 108 HE ARG 11 HE ARG 11 -27.048 13.352 6.946 109 HH11 ARG 11 1HH1 ARG 11 -27.048 11.442 3.991 110 HH12 ARG 11 2HH1 ARG 11 -26.383 10.031 4.749 111 HH21 ARG 11 1HH2 ARG 11 -26.195 11.474 7.934 112 HH22 ARG 11 2HH2 ARG 11 -25.885 10.055 6.984 113 H GLY 12 H GLY 12 -29.078 14.726 1.699 114 HA2 GLY 12 2HA GLY 12 -28.883 12.985 0.238 115 HA3 GLY 12 3HA GLY 12 -27.275 13.569 -0.144 116 H GLY 13 H GLY 13 -25.609 12.328 0.418 117 HA2 GLY 13 2HA GLY 13 -24.900 10.880 2.541 118 HA3 GLY 13 3HA GLY 13 -26.074 9.788 1.800 119 H ASN 14 H ASN 14 -23.311 9.198 2.133 120 HA ASN 14 HA ASN 14 -22.469 8.781 -0.654 121 HB2 ASN 14 2HB ASN 14 -21.293 10.829 -0.043 122 HB3 ASN 14 3HB ASN 14 -20.756 10.129 1.477 123 HD21 ASN 14 1HD2 ASN 14 -18.592 10.494 1.034 124 HD22 ASN 14 2HD2 ASN 14 -17.709 9.625 -0.173 125 H THR 15 H THR 15 -21.823 6.765 -0.925 126 HA THR 15 HA THR 15 -20.638 5.174 1.258 127 HB THR 15 HB THR 15 -21.994 3.161 0.304 128 HG1 THR 15 HG1 THR 15 -22.738 4.552 -1.546 129 HG21 THR 15 3HG2 THR 15 -23.997 3.611 1.662 130 HG22 THR 15 1HG2 THR 15 -23.554 5.316 1.771 131 HG23 THR 15 2HG2 THR 15 -22.534 4.089 2.522 132 H LYS 16 H LYS 16 -18.992 3.867 0.587 133 HA LYS 16 HA LYS 16 -18.216 3.883 -2.258 134 HB2 LYS 16 2HB LYS 16 -16.686 3.146 0.267 135 HB3 LYS 16 3HB LYS 16 -16.048 2.885 -1.349 136 HG2 LYS 16 2HG LYS 16 -16.243 5.354 -1.767 137 HG3 LYS 16 3HG LYS 16 -16.712 5.551 -0.075 138 HD2 LYS 16 2HD LYS 16 -14.545 4.620 0.654 139 HD3 LYS 16 3HD LYS 16 -14.078 4.344 -1.029 140 HE2 LYS 16 2HE LYS 16 -14.612 7.049 0.243 141 HE3 LYS 16 3HE LYS 16 -13.023 6.371 -0.115 142 HZ1 LYS 16 3HZ LYS 16 -13.615 6.382 -2.466 143 HZ2 LYS 16 1HZ LYS 16 -13.690 7.931 -1.801 144 HZ3 LYS 16 2HZ LYS 16 -15.115 7.073 -2.104 145 H VAL 17 H VAL 17 -16.935 1.764 -2.770 146 HA VAL 17 HA VAL 17 -18.158 -0.700 -1.803 147 HB VAL 17 HB VAL 17 -19.643 0.047 -3.686 148 HG11 VAL 17 1HG1 VAL 17 -18.019 1.337 -4.991 149 HG12 VAL 17 2HG1 VAL 17 -18.821 0.145 -6.011 150 HG13 VAL 17 3HG1 VAL 17 -17.169 -0.139 -5.446 151 HG21 VAL 17 3HG2 VAL 17 -19.641 -2.032 -5.009 152 HG22 VAL 17 1HG2 VAL 17 -19.389 -2.368 -3.292 153 HG23 VAL 17 2HG2 VAL 17 -18.027 -2.425 -4.411 154 H ARG 18 H ARG 18 -16.840 -2.586 -2.429 155 HA ARG 18 HA ARG 18 -14.031 -2.054 -2.529 156 HB2 ARG 18 2HB ARG 18 -13.650 -4.402 -2.347 157 HB3 ARG 18 3HB ARG 18 -15.069 -4.074 -1.372 158 HG2 ARG 18 2HG ARG 18 -15.131 -5.275 -4.166 159 HG3 ARG 18 3HG ARG 18 -15.190 -6.206 -2.672 160 HD2 ARG 18 2HD ARG 18 -17.308 -4.998 -2.075 161 HD3 ARG 18 3HD ARG 18 -17.265 -4.223 -3.661 162 HE ARG 18 HE ARG 18 -17.127 -7.108 -3.747 163 HH11 ARG 18 1HH1 ARG 18 -19.328 -4.377 -3.799 164 HH12 ARG 18 2HH1 ARG 18 -20.634 -5.274 -4.490 165 HH21 ARG 18 1HH2 ARG 18 -18.869 -8.291 -4.631 166 HH22 ARG 18 2HH2 ARG 18 -20.383 -7.497 -4.946 167 H LEU 19 H LEU 19 -12.714 -3.595 -4.192 168 HA LEU 19 HA LEU 19 -12.779 -2.288 -6.654 169 HB2 LEU 19 2HB LEU 19 -10.999 -3.688 -7.347 170 HB3 LEU 19 3HB LEU 19 -10.796 -3.457 -5.624 171 HG LEU 19 HG LEU 19 -11.775 -6.004 -6.996 172 HD11 LEU 19 1HD1 LEU 19 -9.177 -5.435 -5.535 173 HD12 LEU 19 2HD1 LEU 19 -9.379 -5.629 -7.277 174 HD13 LEU 19 3HD1 LEU 19 -9.670 -6.995 -6.204 175 HD21 LEU 19 3HD2 LEU 19 -11.690 -7.076 -4.780 176 HD22 LEU 19 1HD2 LEU 19 -12.905 -5.798 -4.843 177 HD23 LEU 19 2HD2 LEU 19 -11.362 -5.509 -4.038 178 H ALA 20 H ALA 20 -13.857 -2.629 -8.528 179 HA ALA 20 HA ALA 20 -15.317 -5.178 -9.004 180 HB1 ALA 20 3HB ALA 20 -16.797 -3.205 -8.833 181 HB2 ALA 20 1HB ALA 20 -16.817 -3.875 -10.467 182 HB3 ALA 20 2HB ALA 20 -15.897 -2.407 -10.123 183 H SER 21 H SER 21 -12.656 -3.357 -9.868 184 HA SER 21 HA SER 21 -12.416 -4.427 -12.609 185 HB2 SER 21 2HB SER 21 -10.852 -2.217 -11.188 186 HB3 SER 21 3HB SER 21 -10.703 -2.664 -12.888 187 HG SER 21 HG SER 21 -12.526 -1.680 -13.327 188 H ASP 22 H ASP 22 -9.323 -3.825 -11.983 189 HA ASP 22 HA ASP 22 -8.674 -6.602 -11.438 190 HB2 ASP 22 2HB ASP 22 -6.371 -5.908 -12.077 191 HB3 ASP 22 3HB ASP 22 -7.550 -5.419 -13.293 192 H THR 23 H THR 23 -6.396 -6.687 -10.106 193 HA THR 23 HA THR 23 -7.162 -6.436 -7.397 194 HB THR 23 HB THR 23 -4.358 -6.934 -8.482 195 HG1 THR 23 HG1 THR 23 -6.565 -8.423 -8.660 196 HG21 THR 23 3HG2 THR 23 -3.965 -8.074 -6.307 197 HG22 THR 23 1HG2 THR 23 -5.560 -7.562 -5.751 198 HG23 THR 23 2HG2 THR 23 -4.307 -6.360 -6.074 199 H ARG 24 H ARG 24 -7.267 -4.634 -6.310 200 HA ARG 24 HA ARG 24 -5.271 -2.476 -6.699 201 HB2 ARG 24 2HB ARG 24 -7.961 -2.314 -7.275 202 HB3 ARG 24 3HB ARG 24 -7.986 -1.783 -5.596 203 HG2 ARG 24 2HG ARG 24 -6.608 0.085 -6.054 204 HG3 ARG 24 3HG ARG 24 -6.085 -0.566 -7.606 205 HD2 ARG 24 2HD ARG 24 -8.822 0.526 -6.925 206 HD3 ARG 24 3HD ARG 24 -7.622 1.288 -7.951 207 HE ARG 24 HE ARG 24 -9.634 -0.289 -8.854 208 HH11 ARG 24 1HH1 ARG 24 -6.126 -0.747 -9.175 209 HH12 ARG 24 2HH1 ARG 24 -6.254 -1.372 -10.780 210 HH21 ARG 24 1HH2 ARG 24 -9.706 -1.054 -10.969 211 HH22 ARG 24 2HH2 ARG 24 -8.261 -1.550 -11.779 212 H ILE 25 H ILE 25 -5.240 -0.970 -4.659 213 HA ILE 25 HA ILE 25 -5.262 -2.589 -2.203 214 HB ILE 25 HB ILE 25 -3.011 -2.849 -3.128 215 HG12 ILE 25 2HG1 ILE 25 -2.868 -0.975 -0.715 216 HG13 ILE 25 3HG1 ILE 25 -3.287 -2.683 -0.621 217 HG21 ILE 25 1HG2 ILE 25 -2.765 0.183 -3.070 218 HG22 ILE 25 2HG2 ILE 25 -2.831 -0.832 -4.512 219 HG23 ILE 25 3HG2 ILE 25 -1.448 -0.937 -3.422 220 HD11 ILE 25 3HD1 ILE 25 -1.058 -3.273 -1.449 221 HD12 ILE 25 1HD1 ILE 25 -0.988 -2.299 0.020 222 HD13 ILE 25 2HD1 ILE 25 -0.639 -1.561 -1.543 223 H ASN 26 H ASN 26 -5.643 -1.488 -0.363 224 HA ASN 26 HA ASN 26 -6.406 1.342 -0.510 225 HB2 ASN 26 2HB ASN 26 -6.732 -0.678 1.772 226 HB3 ASN 26 3HB ASN 26 -7.413 0.948 1.716 227 HD21 ASN 26 1HD2 ASN 26 -7.655 -2.307 0.504 228 HD22 ASN 26 2HD2 ASN 26 -9.217 -2.138 -0.218 229 H VAL 27 H VAL 27 -4.598 2.536 -0.370 230 HA VAL 27 HA VAL 27 -2.301 1.698 1.239 231 HB VAL 27 HB VAL 27 -2.614 3.940 -0.808 232 HG11 VAL 27 1HG1 VAL 27 -0.901 4.550 0.829 233 HG12 VAL 27 2HG1 VAL 27 -0.146 4.139 -0.708 234 HG13 VAL 27 3HG1 VAL 27 -0.109 2.984 0.628 235 HG21 VAL 27 3HG2 VAL 27 -1.224 2.509 -2.270 236 HG22 VAL 27 1HG2 VAL 27 -2.722 1.694 -1.813 237 HG23 VAL 27 2HG2 VAL 27 -1.204 1.250 -1.032 238 H VAL 28 H VAL 28 -2.205 2.385 3.241 239 HA VAL 28 HA VAL 28 -3.546 4.867 4.107 240 HB VAL 28 HB VAL 28 -2.474 2.579 5.832 241 HG11 VAL 28 1HG1 VAL 28 -4.373 4.851 6.545 242 HG12 VAL 28 2HG1 VAL 28 -2.686 4.698 7.050 243 HG13 VAL 28 3HG1 VAL 28 -3.881 3.533 7.616 244 HG21 VAL 28 3HG2 VAL 28 -4.793 1.779 6.055 245 HG22 VAL 28 1HG2 VAL 28 -4.244 1.702 4.377 246 HG23 VAL 28 2HG2 VAL 28 -5.333 2.993 4.894 247 H ASP 29 H ASP 29 -2.162 6.569 4.262 248 HA ASP 29 HA ASP 29 0.610 6.551 4.611 249 HB2 ASP 29 2HB ASP 29 -1.459 8.598 5.557 250 HB3 ASP 29 3HB ASP 29 0.281 8.868 5.633 251 HA PRO 30 HA PRO 30 0.598 5.213 9.022 252 HB2 PRO 30 2HB PRO 30 3.312 4.849 9.264 253 HB3 PRO 30 3HB PRO 30 2.250 3.636 8.533 254 HG2 PRO 30 2HG PRO 30 3.996 5.691 7.187 255 HG3 PRO 30 3HG PRO 30 3.753 3.982 6.763 256 HD2 PRO 30 2HD PRO 30 2.489 6.034 5.465 257 HD3 PRO 30 3HD PRO 30 1.767 4.421 5.633 258 H GLU 31 H GLU 31 2.099 7.852 7.382 259 HA GLU 31 HA GLU 31 3.137 9.222 9.687 260 HB2 GLU 31 2HB GLU 31 3.521 11.102 8.035 261 HB3 GLU 31 3HB GLU 31 4.292 9.582 7.619 262 HG2 GLU 31 2HG GLU 31 2.500 9.107 5.976 263 HG3 GLU 31 3HG GLU 31 1.717 10.628 6.396 264 H THR 32 H THR 32 0.398 9.950 7.462 265 HA THR 32 HA THR 32 -0.711 11.863 9.396 266 HB THR 32 HB THR 32 -2.196 12.536 7.459 267 HG1 THR 32 HG1 THR 32 -1.215 11.649 5.360 268 HG21 THR 32 3HG2 THR 32 -0.435 13.643 6.139 269 HG22 THR 32 1HG2 THR 32 0.785 12.585 6.858 270 HG23 THR 32 2HG2 THR 32 -0.085 13.748 7.863 271 H GLY 33 H GLY 33 -1.451 8.719 8.034 272 HA2 GLY 33 2HA GLY 33 -2.971 7.157 8.926 273 HA3 GLY 33 3HA GLY 33 -3.799 8.445 9.791 274 H LYS 34 H LYS 34 -3.235 9.360 6.597 275 HA LYS 34 HA LYS 34 -6.008 9.236 5.848 276 HB2 LYS 34 2HB LYS 34 -3.518 9.978 4.252 277 HB3 LYS 34 3HB LYS 34 -5.160 10.169 3.652 278 HG2 LYS 34 2HG LYS 34 -3.956 11.602 6.039 279 HG3 LYS 34 3HG LYS 34 -4.258 12.296 4.443 280 HD2 LYS 34 2HD LYS 34 -6.705 11.884 4.758 281 HD3 LYS 34 3HD LYS 34 -6.374 11.269 6.376 282 HE2 LYS 34 2HE LYS 34 -5.413 13.503 6.975 283 HE3 LYS 34 3HE LYS 34 -5.902 14.100 5.386 284 HZ1 LYS 34 3HZ LYS 34 -8.198 13.563 5.948 285 HZ2 LYS 34 1HZ LYS 34 -7.545 14.660 7.053 286 HZ3 LYS 34 2HZ LYS 34 -7.719 13.033 7.479 287 H VAL 35 H VAL 35 -7.013 7.908 4.322 288 HA VAL 35 HA VAL 35 -5.476 5.566 3.296 289 HB VAL 35 HB VAL 35 -8.481 5.589 3.953 290 HG11 VAL 35 1HG1 VAL 35 -7.833 3.946 2.251 291 HG12 VAL 35 2HG1 VAL 35 -8.311 3.135 3.741 292 HG13 VAL 35 3HG1 VAL 35 -6.599 3.278 3.326 293 HG21 VAL 35 3HG2 VAL 35 -6.230 4.457 5.658 294 HG22 VAL 35 1HG2 VAL 35 -7.958 4.266 5.977 295 HG23 VAL 35 2HG2 VAL 35 -7.218 5.866 6.047 296 H GLU 36 H GLU 36 -5.342 5.539 1.130 297 HA GLU 36 HA GLU 36 -7.537 6.572 -0.548 298 HB2 GLU 36 2HB GLU 36 -5.668 8.282 -0.425 299 HB3 GLU 36 3HB GLU 36 -4.582 7.080 -1.101 300 HG2 GLU 36 2HG GLU 36 -6.136 6.958 -3.109 301 HG3 GLU 36 3HG GLU 36 -6.974 8.358 -2.447 302 H ILE 37 H ILE 37 -7.972 5.272 -2.259 303 HA ILE 37 HA ILE 37 -6.762 2.647 -2.377 304 HB ILE 37 HB ILE 37 -8.953 3.864 -4.125 305 HG12 ILE 37 2HG1 ILE 37 -9.252 2.131 -1.614 306 HG13 ILE 37 3HG1 ILE 37 -9.568 3.858 -1.687 307 HG21 ILE 37 1HG2 ILE 37 -9.568 1.524 -4.651 308 HG22 ILE 37 2HG2 ILE 37 -8.213 0.943 -3.683 309 HG23 ILE 37 3HG2 ILE 37 -7.913 1.871 -5.153 310 HD11 ILE 37 3HD1 ILE 37 -11.622 2.587 -1.737 311 HD12 ILE 37 1HD1 ILE 37 -11.086 1.728 -3.180 312 HD13 ILE 37 2HD1 ILE 37 -11.400 3.465 -3.249 313 H ALA 38 H ALA 38 -4.676 2.801 -3.210 314 HA ALA 38 HA ALA 38 -4.250 4.006 -5.881 315 HB1 ALA 38 3HB ALA 38 -1.865 3.565 -5.517 316 HB2 ALA 38 1HB ALA 38 -2.229 2.732 -4.004 317 HB3 ALA 38 2HB ALA 38 -2.544 4.460 -4.156 318 H GLU 39 H GLU 39 -2.982 2.645 -7.447 319 HA GLU 39 HA GLU 39 -4.279 -0.009 -7.645 320 HB2 GLU 39 2HB GLU 39 -3.030 1.687 -9.844 321 HB3 GLU 39 3HB GLU 39 -3.975 0.216 -10.060 322 HG2 GLU 39 2HG GLU 39 -5.980 1.384 -9.190 323 HG3 GLU 39 3HG GLU 39 -5.030 2.852 -8.980 324 H ILE 40 H ILE 40 -3.008 -1.890 -7.840 325 HA ILE 40 HA ILE 40 -0.150 -1.638 -7.326 326 HB ILE 40 HB ILE 40 -1.793 -4.159 -7.858 327 HG12 ILE 40 2HG1 ILE 40 -0.976 -2.903 -5.189 328 HG13 ILE 40 3HG1 ILE 40 -2.599 -2.849 -5.872 329 HG21 ILE 40 1HG2 ILE 40 0.992 -3.826 -6.641 330 HG22 ILE 40 2HG2 ILE 40 0.628 -4.516 -8.222 331 HG23 ILE 40 3HG2 ILE 40 0.108 -5.351 -6.761 332 HD11 ILE 40 3HD1 ILE 40 -2.416 -4.498 -4.133 333 HD12 ILE 40 1HD1 ILE 40 -1.128 -5.323 -5.007 334 HD13 ILE 40 2HD1 ILE 40 -2.760 -5.265 -5.683 335 H ARG 41 H ARG 41 1.072 -1.113 -8.970 336 HA ARG 41 HA ARG 41 0.538 -1.633 -11.759 337 HB2 ARG 41 2HB ARG 41 2.939 -0.429 -10.307 338 HB3 ARG 41 3HB ARG 41 2.723 -0.423 -12.056 339 HG2 ARG 41 2HG ARG 41 0.920 1.128 -11.953 340 HG3 ARG 41 3HG ARG 41 0.671 0.856 -10.223 341 HD2 ARG 41 2HD ARG 41 1.756 3.058 -10.772 342 HD3 ARG 41 3HD ARG 41 2.688 2.046 -9.669 343 HE ARG 41 HE ARG 41 3.960 1.380 -11.804 344 HH11 ARG 41 1HH1 ARG 41 2.561 4.591 -11.388 345 HH12 ARG 41 2HH1 ARG 41 3.817 5.367 -12.299 346 HH21 ARG 41 1HH2 ARG 41 5.587 2.429 -12.962 347 HH22 ARG 41 2HH2 ARG 41 5.536 4.149 -13.173 348 H ASN 42 H ASN 42 3.072 -2.595 -9.415 349 HA ASN 42 HA ASN 42 3.490 -5.154 -10.792 350 HB2 ASN 42 2HB ASN 42 5.009 -3.306 -11.847 351 HB3 ASN 42 3HB ASN 42 5.902 -3.333 -10.333 352 HD21 ASN 42 1HD2 ASN 42 5.283 -4.976 -13.292 353 HD22 ASN 42 2HD2 ASN 42 6.449 -6.233 -13.093 354 H VAL 43 H VAL 43 5.091 -6.533 -9.535 355 HA VAL 43 HA VAL 43 4.713 -6.141 -6.620 356 HB VAL 43 HB VAL 43 5.016 -8.567 -6.408 357 HG11 VAL 43 1HG1 VAL 43 2.980 -9.323 -7.538 358 HG12 VAL 43 2HG1 VAL 43 3.017 -7.909 -8.597 359 HG13 VAL 43 3HG1 VAL 43 2.752 -7.708 -6.863 360 HG21 VAL 43 3HG2 VAL 43 6.625 -8.982 -8.240 361 HG22 VAL 43 1HG2 VAL 43 5.378 -8.651 -9.447 362 HG23 VAL 43 2HG2 VAL 43 5.235 -10.054 -8.382 363 H VAL 44 H VAL 44 6.979 -5.236 -8.637 364 HA VAL 44 HA VAL 44 9.388 -6.430 -7.693 365 HB VAL 44 HB VAL 44 9.392 -5.340 -9.854 366 HG11 VAL 44 1HG1 VAL 44 9.224 -2.908 -10.196 367 HG12 VAL 44 2HG1 VAL 44 8.847 -2.684 -8.486 368 HG13 VAL 44 3HG1 VAL 44 7.731 -3.569 -9.528 369 HG21 VAL 44 3HG2 VAL 44 11.431 -3.953 -9.677 370 HG22 VAL 44 1HG2 VAL 44 11.533 -5.401 -8.671 371 HG23 VAL 44 2HG2 VAL 44 11.197 -3.834 -7.931 372 H GLU 45 H GLU 45 9.296 -6.476 -5.516 373 HA GLU 45 HA GLU 45 9.037 -4.369 -3.664 374 HB2 GLU 45 2HB GLU 45 10.347 -5.957 -2.130 375 HB3 GLU 45 3HB GLU 45 8.908 -6.643 -2.876 376 HG2 GLU 45 2HG GLU 45 10.308 -7.781 -4.574 377 HG3 GLU 45 3HG GLU 45 11.759 -7.087 -3.843 378 H ASN 46 H ASN 46 11.773 -5.691 -5.374 379 HA ASN 46 HA ASN 46 13.307 -3.393 -5.660 380 HB2 ASN 46 2HB ASN 46 15.185 -3.774 -4.095 381 HB3 ASN 46 3HB ASN 46 13.692 -3.591 -3.184 382 HD21 ASN 46 1HD2 ASN 46 12.725 -5.549 -2.316 383 HD22 ASN 46 2HD2 ASN 46 13.717 -6.913 -1.950 384 H THR 47 H THR 47 15.910 -4.698 -5.775 385 HA THR 47 HA THR 47 15.716 -6.064 -8.243 386 HB THR 47 HB THR 47 18.081 -6.109 -6.311 387 HG1 THR 47 HG1 THR 47 16.935 -4.000 -7.334 388 HG21 THR 47 3HG2 THR 47 17.984 -6.326 -9.341 389 HG22 THR 47 1HG2 THR 47 18.341 -7.647 -8.229 390 HG23 THR 47 2HG2 THR 47 19.452 -6.282 -8.359 391 H ALA 48 H ALA 48 15.320 -7.245 -5.034 392 HA ALA 48 HA ALA 48 16.128 -9.902 -5.122 393 HB1 ALA 48 3HB ALA 48 15.427 -8.726 -3.069 394 HB2 ALA 48 1HB ALA 48 14.596 -10.269 -3.267 395 HB3 ALA 48 2HB ALA 48 13.751 -8.763 -3.631 396 H ASN 49 H ASN 49 13.056 -8.473 -6.258 397 HA ASN 49 HA ASN 49 12.611 -10.903 -7.877 398 HB2 ASN 49 2HB ASN 49 11.013 -11.051 -5.961 399 HB3 ASN 49 3HB ASN 49 10.383 -9.458 -6.368 400 HD21 ASN 49 1HD2 ASN 49 8.283 -10.202 -6.787 401 HD22 ASN 49 2HD2 ASN 49 7.885 -11.192 -8.146 402 HA PRO 50 HA PRO 50 11.934 -7.429 -10.814 403 HB2 PRO 50 2HB PRO 50 13.887 -7.926 -12.565 404 HB3 PRO 50 3HB PRO 50 14.311 -7.267 -10.978 405 HG2 PRO 50 2HG PRO 50 14.535 -10.105 -11.964 406 HG3 PRO 50 3HG PRO 50 15.666 -9.177 -10.961 407 HD2 PRO 50 2HD PRO 50 13.705 -10.988 -10.005 408 HD3 PRO 50 3HD PRO 50 14.605 -9.808 -9.022 409 H HIS 51 H HIS 51 11.218 -10.617 -10.644 410 HA HIS 51 HA HIS 51 10.956 -11.310 -13.456 411 HB2 HIS 51 2HB HIS 51 10.270 -12.860 -10.919 412 HB3 HIS 51 3HB HIS 51 10.076 -13.504 -12.546 413 HD1 HIS 51 HD1 HIS 51 11.899 -14.885 -10.498 414 HD2 HIS 51 HD2 HIS 51 13.237 -12.153 -13.327 415 HE1 HIS 51 HE1 HIS 51 14.308 -15.437 -10.892 416 HE2 HIS 51 HE2 HIS 51 15.055 -13.870 -12.709 417 H PHE 52 H PHE 52 9.314 -10.257 -14.459 418 HA PHE 52 HA PHE 52 6.578 -10.615 -13.362 419 HB2 PHE 52 2HB PHE 52 7.373 -8.188 -13.636 420 HB3 PHE 52 3HB PHE 52 7.434 -8.477 -15.373 421 HD1 PHE 52 HD1 PHE 52 5.123 -8.485 -12.432 422 HD2 PHE 52 HD2 PHE 52 5.424 -8.271 -16.698 423 HE1 PHE 52 HE1 PHE 52 2.742 -7.916 -12.573 424 HE2 PHE 52 HE2 PHE 52 3.048 -7.706 -16.824 425 HZ PHE 52 HZ PHE 52 1.696 -7.525 -14.771 426 H VAL 53 H VAL 53 6.868 -12.763 -14.213 427 HA VAL 53 HA VAL 53 5.543 -13.069 -16.764 428 HB VAL 53 HB VAL 53 8.022 -12.934 -17.384 429 HG11 VAL 53 1HG1 VAL 53 9.523 -14.831 -16.907 430 HG12 VAL 53 2HG1 VAL 53 8.279 -15.568 -15.896 431 HG13 VAL 53 3HG1 VAL 53 9.000 -14.034 -15.418 432 HG21 VAL 53 3HG2 VAL 53 6.468 -14.039 -18.905 433 HG22 VAL 53 1HG2 VAL 53 6.656 -15.570 -18.046 434 HG23 VAL 53 2HG2 VAL 53 8.022 -14.877 -18.927 435 H ARG 54 H ARG 54 5.263 -13.544 -13.859 436 HA ARG 54 HA ARG 54 4.939 -16.480 -13.632 437 HB2 ARG 54 2HB ARG 54 5.842 -16.270 -11.280 438 HB3 ARG 54 3HB ARG 54 7.045 -15.941 -12.523 439 HG2 ARG 54 2HG ARG 54 6.970 -13.572 -12.116 440 HG3 ARG 54 3HG ARG 54 5.517 -13.717 -11.129 441 HD2 ARG 54 2HD ARG 54 8.221 -14.873 -10.381 442 HD3 ARG 54 3HD ARG 54 7.586 -13.333 -9.783 443 HE ARG 54 HE ARG 54 5.617 -14.982 -9.096 444 HH11 ARG 54 1HH1 ARG 54 9.077 -15.452 -8.633 445 HH12 ARG 54 2HH1 ARG 54 8.854 -16.372 -7.181 446 HH21 ARG 54 1HH2 ARG 54 5.364 -16.163 -7.204 447 HH22 ARG 54 2HH2 ARG 54 6.759 -16.758 -6.357 448 H ARG 55 H ARG 55 3.628 -16.993 -11.566 449 HA ARG 55 HA ARG 55 1.297 -15.419 -11.166 450 HB2 ARG 55 2HB ARG 55 1.365 -17.812 -10.549 451 HB3 ARG 55 3HB ARG 55 2.589 -17.500 -9.328 452 HG2 ARG 55 2HG ARG 55 0.387 -17.836 -8.304 453 HG3 ARG 55 3HG ARG 55 0.956 -16.193 -8.007 454 HD2 ARG 55 2HD ARG 55 -0.517 -15.358 -9.803 455 HD3 ARG 55 3HD ARG 55 -1.058 -17.009 -10.132 456 HE ARG 55 HE ARG 55 -1.819 -16.937 -7.677 457 HH11 ARG 55 1HH1 ARG 55 -1.896 -14.112 -9.746 458 HH12 ARG 55 2HH1 ARG 55 -3.284 -13.419 -8.980 459 HH21 ARG 55 1HH2 ARG 55 -3.666 -16.023 -6.675 460 HH22 ARG 55 2HH2 ARG 55 -4.273 -14.490 -7.211 461 H ASN 56 H ASN 56 1.390 -13.395 -10.405 462 HA ASN 56 HA ASN 56 3.524 -12.276 -8.927 463 HB2 ASN 56 2HB ASN 56 0.707 -11.264 -9.482 464 HB3 ASN 56 3HB ASN 56 1.928 -10.305 -8.662 465 HD21 ASN 56 1HD2 ASN 56 0.909 -11.627 -11.711 466 HD22 ASN 56 2HD2 ASN 56 2.020 -10.749 -12.697 467 H ILE 57 H ILE 57 3.854 -13.507 -7.081 468 HA ILE 57 HA ILE 57 1.720 -13.834 -5.091 469 HB ILE 57 HB ILE 57 4.577 -14.917 -5.155 470 HG12 ILE 57 2HG1 ILE 57 1.894 -16.306 -5.611 471 HG13 ILE 57 3HG1 ILE 57 3.064 -15.928 -6.866 472 HG21 ILE 57 1HG2 ILE 57 3.904 -16.312 -3.210 473 HG22 ILE 57 2HG2 ILE 57 2.340 -15.501 -3.169 474 HG23 ILE 57 3HG2 ILE 57 3.811 -14.594 -2.816 475 HD11 ILE 57 3HD1 ILE 57 3.133 -18.250 -6.297 476 HD12 ILE 57 1HD1 ILE 57 3.438 -17.876 -4.601 477 HD13 ILE 57 2HD1 ILE 57 4.645 -17.480 -5.830 478 H ILE 58 H ILE 58 1.461 -11.780 -4.356 479 HA ILE 58 HA ILE 58 3.590 -10.229 -3.136 480 HB ILE 58 HB ILE 58 0.548 -9.923 -2.903 481 HG12 ILE 58 2HG1 ILE 58 2.448 -8.527 -4.848 482 HG13 ILE 58 3HG1 ILE 58 1.326 -9.808 -5.284 483 HG21 ILE 58 1HG2 ILE 58 1.040 -7.592 -2.252 484 HG22 ILE 58 2HG2 ILE 58 2.770 -7.929 -2.331 485 HG23 ILE 58 3HG2 ILE 58 1.766 -8.744 -1.129 486 HD11 ILE 58 3HD1 ILE 58 0.599 -7.052 -4.301 487 HD12 ILE 58 1HD1 ILE 58 -0.550 -8.332 -4.701 488 HD13 ILE 58 2HD1 ILE 58 0.488 -7.653 -5.954 489 H THR 59 H THR 59 4.010 -10.174 -0.902 490 HA THR 59 HA THR 59 2.519 -12.036 0.867 491 HB THR 59 HB THR 59 4.637 -12.308 2.164 492 HG1 THR 59 HG1 THR 59 6.448 -11.300 1.611 493 HG21 THR 59 3HG2 THR 59 4.998 -12.980 -0.783 494 HG22 THR 59 1HG2 THR 59 4.133 -13.967 0.401 495 HG23 THR 59 2HG2 THR 59 5.870 -13.711 0.566 496 H ARG 60 H ARG 60 2.567 -11.386 3.194 497 HA ARG 60 HA ARG 60 2.018 -8.608 3.627 498 HB2 ARG 60 2HB ARG 60 0.851 -10.248 4.991 499 HB3 ARG 60 3HB ARG 60 2.365 -10.924 5.586 500 HG2 ARG 60 2HG ARG 60 2.834 -8.796 6.768 501 HG3 ARG 60 3HG ARG 60 1.314 -8.126 6.180 502 HD2 ARG 60 2HD ARG 60 1.393 -10.661 7.839 503 HD3 ARG 60 3HD ARG 60 1.380 -9.070 8.590 504 HE ARG 60 HE ARG 60 -0.772 -8.667 7.644 505 HH11 ARG 60 1HH1 ARG 60 0.240 -11.993 7.203 506 HH12 ARG 60 2HH1 ARG 60 -1.376 -12.616 7.232 507 HH21 ARG 60 1HH2 ARG 60 -2.880 -9.481 7.674 508 HH22 ARG 60 2HH2 ARG 60 -3.162 -11.179 7.486 509 H GLY 61 H GLY 61 3.511 -7.107 3.785 510 HA2 GLY 61 2HA GLY 61 5.441 -6.039 4.713 511 HA3 GLY 61 3HA GLY 61 6.186 -7.617 4.950 512 H ALA 62 H ALA 62 4.772 -7.661 1.945 513 HA ALA 62 HA ALA 62 7.294 -7.231 0.555 514 HB1 ALA 62 3HB ALA 62 4.586 -8.070 -0.531 515 HB2 ALA 62 1HB ALA 62 5.913 -9.148 -0.104 516 HB3 ALA 62 2HB ALA 62 6.091 -8.027 -1.456 517 H VAL 63 H VAL 63 7.827 -5.428 -0.559 518 HA VAL 63 HA VAL 63 6.047 -3.164 -0.640 519 HB VAL 63 HB VAL 63 8.818 -3.493 -1.888 520 HG11 VAL 63 1HG1 VAL 63 8.899 -1.018 -1.911 521 HG12 VAL 63 2HG1 VAL 63 7.229 -0.956 -1.338 522 HG13 VAL 63 3HG1 VAL 63 7.595 -1.641 -2.923 523 HG21 VAL 63 3HG2 VAL 63 8.067 -2.237 0.775 524 HG22 VAL 63 1HG2 VAL 63 9.688 -2.317 0.077 525 HG23 VAL 63 2HG2 VAL 63 8.865 -3.798 0.567 526 H VAL 64 H VAL 64 4.688 -2.722 -2.225 527 HA VAL 64 HA VAL 64 5.003 -3.910 -4.916 528 HB VAL 64 HB VAL 64 2.515 -3.671 -5.176 529 HG11 VAL 64 1HG1 VAL 64 1.893 -5.636 -3.817 530 HG12 VAL 64 2HG1 VAL 64 3.365 -5.447 -2.859 531 HG13 VAL 64 3HG1 VAL 64 3.474 -5.842 -4.575 532 HG21 VAL 64 3HG2 VAL 64 2.512 -3.029 -2.194 533 HG22 VAL 64 1HG2 VAL 64 1.077 -3.365 -3.168 534 HG23 VAL 64 2HG2 VAL 64 2.048 -1.930 -3.495 535 H GLU 65 H GLU 65 4.512 -2.561 -6.680 536 HA GLU 65 HA GLU 65 5.168 0.253 -6.241 537 HB2 GLU 65 2HB GLU 65 6.341 -1.021 -8.032 538 HB3 GLU 65 3HB GLU 65 4.795 -1.331 -8.831 539 HG2 GLU 65 2HG GLU 65 4.504 1.128 -9.132 540 HG3 GLU 65 3HG GLU 65 6.088 1.398 -8.412 541 H THR 66 H THR 66 3.556 1.773 -6.143 542 HA THR 66 HA THR 66 0.910 1.153 -7.340 543 HB THR 66 HB THR 66 -0.241 2.140 -5.414 544 HG1 THR 66 HG1 THR 66 2.225 2.289 -4.019 545 HG21 THR 66 3HG2 THR 66 1.729 0.028 -4.435 546 HG22 THR 66 1HG2 THR 66 0.193 -0.289 -5.255 547 HG23 THR 66 2HG2 THR 66 0.203 0.468 -3.665 548 H ASN 67 H ASN 67 -0.455 3.246 -7.245 549 HA ASN 67 HA ASN 67 0.747 5.232 -8.855 550 HB2 ASN 67 2HB ASN 67 -1.880 5.317 -7.308 551 HB3 ASN 67 3HB ASN 67 -1.410 6.449 -8.574 552 HD21 ASN 67 1HD2 ASN 67 -3.117 5.938 -9.910 553 HD22 ASN 67 2HD2 ASN 67 -3.283 4.421 -10.713 554 H LEU 68 H LEU 68 0.569 4.868 -5.396 555 HA LEU 68 HA LEU 68 1.130 7.704 -4.878 556 HB2 LEU 68 2HB LEU 68 0.453 5.376 -3.052 557 HB3 LEU 68 3HB LEU 68 0.926 6.957 -2.449 558 HG LEU 68 HG LEU 68 -1.538 6.415 -4.164 559 HD11 LEU 68 1HD1 LEU 68 -1.371 7.050 -1.202 560 HD12 LEU 68 2HD1 LEU 68 -1.831 5.503 -1.915 561 HD13 LEU 68 3HD1 LEU 68 -2.855 6.917 -2.151 562 HD21 LEU 68 3HD2 LEU 68 -0.640 9.001 -2.838 563 HD22 LEU 68 1HD2 LEU 68 -2.167 8.753 -3.690 564 HD23 LEU 68 2HD2 LEU 68 -0.645 8.678 -4.574 565 H GLY 69 H GLY 69 2.628 4.471 -4.454 566 HA2 GLY 69 2HA GLY 69 5.126 4.992 -5.288 567 HA3 GLY 69 3HA GLY 69 5.178 5.679 -3.666 568 H ASN 70 H ASN 70 6.688 4.239 -2.891 569 HA ASN 70 HA ASN 70 6.542 1.394 -3.030 570 HB2 ASN 70 2HB ASN 70 7.995 3.155 -0.986 571 HB3 ASN 70 3HB ASN 70 8.310 1.445 -1.277 572 HD21 ASN 70 1HD2 ASN 70 8.288 1.528 -4.157 573 HD22 ASN 70 2HD2 ASN 70 9.684 2.402 -4.642 574 H VAL 71 H VAL 71 4.763 0.315 -2.123 575 HA VAL 71 HA VAL 71 3.843 1.153 0.585 576 HB VAL 71 HB VAL 71 2.240 -0.131 -1.690 577 HG11 VAL 71 1HG1 VAL 71 1.274 0.748 1.053 578 HG12 VAL 71 2HG1 VAL 71 1.426 -0.915 0.484 579 HG13 VAL 71 3HG1 VAL 71 0.250 0.165 -0.265 580 HG21 VAL 71 3HG2 VAL 71 2.727 2.234 -2.121 581 HG22 VAL 71 1HG2 VAL 71 2.059 2.679 -0.544 582 HG23 VAL 71 2HG2 VAL 71 1.010 1.997 -1.793 583 H ARG 72 H ARG 72 3.715 -0.428 2.161 584 HA ARG 72 HA ARG 72 4.455 -3.200 1.391 585 HB2 ARG 72 2HB ARG 72 5.100 -1.568 3.806 586 HB3 ARG 72 3HB ARG 72 4.717 -3.268 4.120 587 HG2 ARG 72 2HG ARG 72 6.458 -3.867 2.350 588 HG3 ARG 72 3HG ARG 72 6.927 -2.169 2.361 589 HD2 ARG 72 2HD ARG 72 7.513 -2.337 4.757 590 HD3 ARG 72 3HD ARG 72 7.009 -4.026 4.756 591 HE ARG 72 HE ARG 72 8.807 -4.536 3.222 592 HH11 ARG 72 1HH1 ARG 72 9.093 -1.488 4.926 593 HH12 ARG 72 2HH1 ARG 72 10.768 -1.289 4.530 594 HH21 ARG 72 1HH2 ARG 72 10.994 -4.266 2.720 595 HH22 ARG 72 2HH2 ARG 72 11.852 -2.869 3.296 596 H VAL 73 H VAL 73 3.104 -4.779 1.676 597 HA VAL 73 HA VAL 73 0.346 -4.232 2.235 598 HB VAL 73 HB VAL 73 1.825 -6.828 1.641 599 HG11 VAL 73 1HG1 VAL 73 -0.395 -7.816 1.171 600 HG12 VAL 73 2HG1 VAL 73 -1.183 -6.350 1.764 601 HG13 VAL 73 3HG1 VAL 73 -0.232 -7.353 2.861 602 HG21 VAL 73 3HG2 VAL 73 0.802 -6.545 -0.621 603 HG22 VAL 73 1HG2 VAL 73 1.910 -5.234 -0.208 604 HG23 VAL 73 2HG2 VAL 73 0.164 -4.979 -0.120 605 H THR 74 H THR 74 -0.654 -4.366 4.124 606 HA THR 74 HA THR 74 0.790 -5.305 6.522 607 HB THR 74 HB THR 74 -0.892 -3.871 7.736 608 HG1 THR 74 HG1 THR 74 -2.253 -2.562 6.508 609 HG21 THR 74 3HG2 THR 74 1.329 -2.940 7.143 610 HG22 THR 74 1HG2 THR 74 0.078 -1.695 7.063 611 HG23 THR 74 2HG2 THR 74 0.702 -2.419 5.579 612 H SER 75 H SER 75 -1.953 -5.929 4.522 613 HA SER 75 HA SER 75 -3.213 -7.729 6.498 614 HB2 SER 75 2HB SER 75 -4.594 -5.890 5.439 615 HB3 SER 75 3HB SER 75 -4.336 -6.650 3.870 616 HG SER 75 HG SER 75 -5.558 -7.891 6.114 617 H ARG 76 H ARG 76 -4.447 -9.605 5.085 618 HA ARG 76 HA ARG 76 -2.473 -11.179 3.702 619 HB2 ARG 76 2HB ARG 76 -5.480 -11.560 4.040 620 HB3 ARG 76 3HB ARG 76 -4.455 -12.697 3.166 621 HG2 ARG 76 2HG ARG 76 -3.111 -12.956 5.311 622 HG3 ARG 76 3HG ARG 76 -4.373 -12.035 6.126 623 HD2 ARG 76 2HD ARG 76 -6.030 -13.725 5.622 624 HD3 ARG 76 3HD ARG 76 -4.904 -14.586 4.566 625 HE ARG 76 HE ARG 76 -3.942 -14.353 7.257 626 HH11 ARG 76 1HH1 ARG 76 -6.087 -16.267 5.222 627 HH12 ARG 76 2HH1 ARG 76 -5.909 -17.701 6.184 628 HH21 ARG 76 1HH2 ARG 76 -3.727 -16.256 8.507 629 HH22 ARG 76 2HH2 ARG 76 -4.587 -17.695 8.053 630 HA PRO 77 HA PRO 77 -2.969 -8.959 -0.245 631 HB2 PRO 77 2HB PRO 77 -1.695 -11.505 -1.266 632 HB3 PRO 77 3HB PRO 77 -1.278 -9.816 -1.612 633 HG2 PRO 77 2HG PRO 77 0.222 -11.193 0.092 634 HG3 PRO 77 3HG PRO 77 -0.218 -9.516 0.480 635 HD2 PRO 77 2HD PRO 77 -1.404 -12.082 1.546 636 HD3 PRO 77 3HD PRO 77 -0.980 -10.591 2.423 637 H GLY 78 H GLY 78 -5.130 -8.935 -0.622 638 HA2 GLY 78 2HA GLY 78 -6.963 -9.367 -1.966 639 HA3 GLY 78 3HA GLY 78 -6.229 -10.881 -2.476 640 H GLN 79 H GLN 79 -7.079 -9.595 0.746 641 HA GLN 79 HA GLN 79 -8.084 -12.046 1.754 642 HB2 GLN 79 2HB GLN 79 -7.198 -10.318 3.252 643 HB3 GLN 79 3HB GLN 79 -8.453 -9.191 2.755 644 HG2 GLN 79 2HG GLN 79 -8.924 -10.104 4.981 645 HG3 GLN 79 3HG GLN 79 -10.166 -10.589 3.830 646 HE21 GLN 79 1HE2 GLN 79 -10.790 -12.343 5.137 647 HE22 GLN 79 2HE2 GLN 79 -9.825 -13.761 5.321 648 H ASP 80 H ASP 80 -9.864 -9.043 0.968 649 HA ASP 80 HA ASP 80 -12.359 -10.560 0.492 650 HB2 ASP 80 2HB ASP 80 -11.889 -7.536 0.628 651 HB3 ASP 80 3HB ASP 80 -13.462 -8.322 0.498 652 H GLY 81 H GLY 81 -9.851 -10.310 -1.280 653 HA2 GLY 81 2HA GLY 81 -9.746 -10.593 -3.646 654 HA3 GLY 81 3HA GLY 81 -11.166 -9.563 -3.825 655 H VAL 82 H VAL 82 -9.855 -7.827 -1.639 656 HA VAL 82 HA VAL 82 -8.134 -6.224 -3.419 657 HB VAL 82 HB VAL 82 -10.359 -5.200 -2.836 658 HG11 VAL 82 1HG1 VAL 82 -10.676 -6.132 -0.598 659 HG12 VAL 82 2HG1 VAL 82 -10.833 -4.376 -0.585 660 HG13 VAL 82 3HG1 VAL 82 -9.359 -5.131 0.026 661 HG21 VAL 82 3HG2 VAL 82 -9.536 -2.969 -2.212 662 HG22 VAL 82 1HG2 VAL 82 -8.489 -3.729 -3.412 663 HG23 VAL 82 2HG2 VAL 82 -7.989 -3.664 -1.720 664 H ILE 83 H ILE 83 -6.414 -5.032 -2.267 665 HA ILE 83 HA ILE 83 -5.319 -6.559 0.032 666 HB ILE 83 HB ILE 83 -3.815 -4.975 -2.110 667 HG12 ILE 83 2HG1 ILE 83 -4.428 -7.947 -1.874 668 HG13 ILE 83 3HG1 ILE 83 -4.749 -6.885 -3.229 669 HG21 ILE 83 1HG2 ILE 83 -2.735 -6.846 0.024 670 HG22 ILE 83 2HG2 ILE 83 -2.584 -5.087 0.025 671 HG23 ILE 83 3HG2 ILE 83 -1.782 -6.038 -1.224 672 HD11 ILE 83 3HD1 ILE 83 -2.993 -8.375 -3.809 673 HD12 ILE 83 1HD1 ILE 83 -2.077 -7.965 -2.363 674 HD13 ILE 83 2HD1 ILE 83 -2.299 -6.767 -3.634 675 H ASN 84 H ASN 84 -4.340 -5.369 1.770 676 HA ASN 84 HA ASN 84 -4.723 -2.408 1.762 677 HB2 ASN 84 2HB ASN 84 -4.706 -4.275 4.180 678 HB3 ASN 84 3HB ASN 84 -4.876 -2.524 4.234 679 HD21 ASN 84 1HD2 ASN 84 -6.678 -4.723 5.132 680 HD22 ASN 84 2HD2 ASN 84 -8.192 -4.412 4.356 681 H GLY 85 H GLY 85 -3.020 -1.136 2.606 682 HA2 GLY 85 2HA GLY 85 -0.550 -2.327 3.553 683 HA3 GLY 85 3HA GLY 85 -0.443 -1.697 1.912 684 H VAL 86 H VAL 86 1.283 -0.514 3.436 685 HA VAL 86 HA VAL 86 0.114 2.083 4.236 686 HB VAL 86 HB VAL 86 2.026 2.321 5.903 687 HG11 VAL 86 1HG1 VAL 86 -0.248 1.840 6.659 688 HG12 VAL 86 2HG1 VAL 86 0.925 1.001 7.674 689 HG13 VAL 86 3HG1 VAL 86 0.023 0.107 6.447 690 HG21 VAL 86 3HG2 VAL 86 3.529 0.570 5.027 691 HG22 VAL 86 1HG2 VAL 86 2.357 -0.678 5.458 692 HG23 VAL 86 2HG2 VAL 86 3.147 0.270 6.723 693 H LEU 87 H LEU 87 1.086 3.908 3.497 694 HA LEU 87 HA LEU 87 2.861 3.668 1.252 695 HB2 LEU 87 2HB LEU 87 0.979 5.267 1.248 696 HB3 LEU 87 3HB LEU 87 1.686 6.139 2.595 697 HG LEU 87 HG LEU 87 3.616 6.808 1.156 698 HD11 LEU 87 1HD1 LEU 87 3.577 6.408 -1.281 699 HD12 LEU 87 2HD1 LEU 87 2.153 5.383 -1.092 700 HD13 LEU 87 3HD1 LEU 87 3.688 4.898 -0.373 701 HD21 LEU 87 3HD2 LEU 87 1.682 8.307 1.319 702 HD22 LEU 87 1HD2 LEU 87 0.927 7.510 -0.068 703 HD23 LEU 87 2HD2 LEU 87 2.431 8.414 -0.273 704 H ILE 88 H ILE 88 4.934 3.334 1.668 705 HA ILE 88 HA ILE 88 6.407 5.035 3.608 706 HB ILE 88 HB ILE 88 7.929 3.102 3.987 707 HG12 ILE 88 2HG1 ILE 88 5.917 1.501 2.314 708 HG13 ILE 88 3HG1 ILE 88 7.563 1.894 1.826 709 HG21 ILE 88 1HG2 ILE 88 6.428 1.772 5.424 710 HG22 ILE 88 2HG2 ILE 88 5.016 2.435 4.601 711 HG23 ILE 88 3HG2 ILE 88 6.056 3.492 5.561 712 HD11 ILE 88 3HD1 ILE 88 8.392 0.549 3.730 713 HD12 ILE 88 1HD1 ILE 88 7.455 -0.370 2.553 714 HD13 ILE 88 2HD1 ILE 88 6.720 0.096 4.083 715 H ARG 89 H ARG 89 8.950 4.400 2.929 716 HA ARG 89 HA ARG 89 9.259 4.957 0.034 717 HB2 ARG 89 2HB ARG 89 10.447 6.606 2.331 718 HB3 ARG 89 3HB ARG 89 11.180 6.584 0.734 719 HG2 ARG 89 2HG ARG 89 9.902 8.565 0.814 720 HG3 ARG 89 3HG ARG 89 8.957 7.455 -0.177 721 HD2 ARG 89 2HD ARG 89 7.528 8.731 1.365 722 HD3 ARG 89 3HD ARG 89 7.481 7.009 1.741 723 HE ARG 89 HE ARG 89 9.439 8.381 3.311 724 HH11 ARG 89 1HH1 ARG 89 5.969 7.720 3.162 725 HH12 ARG 89 2HH1 ARG 89 5.713 8.128 4.824 726 HH21 ARG 89 1HH2 ARG 89 9.065 8.866 5.489 727 HH22 ARG 89 2HH2 ARG 89 7.469 8.725 6.146 728 H GLU 90 H GLU 90 10.423 3.193 -0.610 729 HA GLU 90 HA GLU 90 12.590 2.148 1.150 730 HB2 GLU 90 2HB GLU 90 10.902 0.613 -0.892 731 HB3 GLU 90 3HB GLU 90 12.223 -0.067 0.053 732 HG2 GLU 90 2HG GLU 90 9.579 0.964 1.105 733 HG3 GLU 90 3HG GLU 90 10.116 -0.712 1.049 734 H LEU 91 H LEU 91 11.659 2.157 -2.312 735 HA LEU 91 HA LEU 91 14.373 1.991 -3.222 736 HB2 LEU 91 2HB LEU 91 11.910 2.762 -4.816 737 HB3 LEU 91 3HB LEU 91 13.446 2.211 -5.464 738 HG LEU 91 HG LEU 91 11.440 0.544 -3.889 739 HD11 LEU 91 1HD1 LEU 91 10.796 0.921 -6.227 740 HD12 LEU 91 2HD1 LEU 91 11.210 -0.765 -5.935 741 HD13 LEU 91 3HD1 LEU 91 12.356 0.289 -6.765 742 HD21 LEU 91 3HD2 LEU 91 12.932 -1.391 -4.251 743 HD22 LEU 91 1HD2 LEU 91 13.690 -0.165 -3.238 744 HD23 LEU 91 2HD2 LEU 91 14.159 -0.320 -4.933 745 H GLU 92 H GLU 92 12.106 4.567 -2.582 746 HA GLU 92 HA GLU 92 14.221 6.591 -3.092 747 HB2 GLU 92 2HB GLU 92 11.193 6.874 -3.281 748 HB3 GLU 92 3HB GLU 92 12.293 8.247 -3.297 749 HG2 GLU 92 2HG GLU 92 13.359 7.396 -5.347 750 HG3 GLU 92 3HG GLU 92 12.279 6.002 -5.333 751 H HIS 93 H HIS 93 14.292 5.117 -0.803 752 HA HIS 93 HA HIS 93 13.052 6.394 1.473 753 HB2 HIS 93 2HB HIS 93 13.727 3.998 1.469 754 HB3 HIS 93 3HB HIS 93 15.411 4.466 1.323 755 HD1 HIS 93 HD1 HIS 93 12.545 4.534 3.795 756 HD2 HIS 93 HD2 HIS 93 16.672 4.997 3.754 757 HE1 HIS 93 HE1 HIS 93 13.240 4.589 6.192 758 HE2 HIS 93 HE2 HIS 93 15.728 4.901 6.148 759 H HIS 94 H HIS 94 15.648 7.274 -0.503 760 HA HIS 94 HA HIS 94 17.521 8.485 -0.438 761 HB2 HIS 94 2HB HIS 94 16.682 9.346 2.368 762 HB3 HIS 94 3HB HIS 94 18.112 9.958 1.544 763 HD1 HIS 94 HD1 HIS 94 17.040 12.367 1.757 764 HD2 HIS 94 HD2 HIS 94 14.901 9.737 -0.633 765 HE1 HIS 94 HE1 HIS 94 15.435 13.774 0.446 766 HE2 HIS 94 HE2 HIS 94 14.061 12.147 -0.873 767 H HIS 95 H HIS 95 19.533 7.717 -0.258 768 HA HIS 95 HA HIS 95 20.065 5.274 1.069 769 HB2 HIS 95 2HB HIS 95 22.032 7.250 -0.168 770 HB3 HIS 95 3HB HIS 95 22.384 5.573 0.240 771 HD1 HIS 95 HD1 HIS 95 21.621 7.520 -2.599 772 HD2 HIS 95 HD2 HIS 95 20.304 3.811 -1.256 773 HE1 HIS 95 HE1 HIS 95 20.692 6.351 -4.618 774 HE2 HIS 95 HE2 HIS 95 19.793 4.168 -3.759 775 H HIS 96 H HIS 96 22.122 5.025 2.451 776 HA HIS 96 HA HIS 96 21.488 6.437 4.931 777 HB2 HIS 96 2HB HIS 96 23.317 4.066 4.384 778 HB3 HIS 96 3HB HIS 96 22.900 4.672 5.989 779 HD1 HIS 96 HD1 HIS 96 22.195 1.760 4.756 780 HD2 HIS 96 HD2 HIS 96 19.581 4.962 5.219 781 HE1 HIS 96 HE1 HIS 96 19.893 0.763 4.833 782 HE2 HIS 96 HE2 HIS 96 18.347 2.735 4.865 783 H HIS 97 H HIS 97 23.227 7.582 2.637 784 HA HIS 97 HA HIS 97 24.752 9.184 2.418 785 HB2 HIS 97 2HB HIS 97 24.055 10.043 4.655 786 HB3 HIS 97 3HB HIS 97 25.237 8.995 5.419 787 HD1 HIS 97 HD1 HIS 97 27.305 10.229 6.065 788 HD2 HIS 97 HD2 HIS 97 25.506 11.887 2.701 789 HE1 HIS 97 HE1 HIS 97 28.713 12.209 5.444 790 HE2 HIS 97 HE2 HIS 97 27.556 13.250 3.468 791 H HIS 98 H HIS 98 26.039 6.791 4.775 792 HA HIS 98 HA HIS 98 28.066 6.046 2.744 793 HB2 HIS 98 2HB HIS 98 28.260 5.997 5.793 794 HB3 HIS 98 3HB HIS 98 29.331 5.046 4.767 795 HD1 HIS 98 HD1 HIS 98 31.232 6.276 3.573 796 HD2 HIS 98 HD2 HIS 98 28.666 8.834 5.599 797 HE1 HIS 98 HE1 HIS 98 32.361 8.517 3.541 798 HE2 HIS 98 HE2 HIS 98 30.871 9.993 4.937 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -37.633 -3.395 -24.398 2 H2 GLY 1 2H GLY 1 -36.182 -3.339 -23.532 3 H3 GLY 1 3H GLY 1 -36.159 -3.389 -25.223 4 HA2 GLY 1 2HA GLY 1 -37.205 -1.238 -25.346 5 HA3 GLY 1 3HA GLY 1 -37.235 -1.170 -23.589 6 H ASP 2 H ASP 2 -34.738 -2.251 -22.996 7 HA ASP 2 HA ASP 2 -33.012 0.008 -23.427 8 HB2 ASP 2 2HB ASP 2 -32.427 -2.686 -22.110 9 HB3 ASP 2 3HB ASP 2 -31.391 -1.266 -22.018 10 H ARG 3 H ARG 3 -32.134 0.239 -25.405 11 HA ARG 3 HA ARG 3 -30.329 -1.866 -26.366 12 HB2 ARG 3 2HB ARG 3 -30.978 -1.210 -28.782 13 HB3 ARG 3 3HB ARG 3 -32.079 -2.240 -27.894 14 HG2 ARG 3 2HG ARG 3 -33.448 -0.726 -29.087 15 HG3 ARG 3 3HG ARG 3 -33.479 -0.151 -27.425 16 HD2 ARG 3 2HD ARG 3 -31.911 1.646 -27.978 17 HD3 ARG 3 3HD ARG 3 -31.724 1.007 -29.616 18 HE ARG 3 HE ARG 3 -34.336 1.431 -29.585 19 HH11 ARG 3 1HH1 ARG 3 -31.885 3.597 -28.301 20 HH12 ARG 3 2HH1 ARG 3 -32.709 5.032 -28.820 21 HH21 ARG 3 1HH2 ARG 3 -35.424 3.346 -30.214 22 HH22 ARG 3 2HH2 ARG 3 -34.712 4.896 -29.874 23 H ARG 4 H ARG 4 -28.403 -1.143 -27.169 24 HA ARG 4 HA ARG 4 -27.813 1.745 -26.912 25 HB2 ARG 4 2HB ARG 4 -25.919 -0.667 -26.944 26 HB3 ARG 4 3HB ARG 4 -25.388 1.010 -26.917 27 HG2 ARG 4 2HG ARG 4 -25.205 0.269 -24.672 28 HG3 ARG 4 3HG ARG 4 -26.659 1.264 -24.717 29 HD2 ARG 4 2HD ARG 4 -28.025 -0.831 -24.894 30 HD3 ARG 4 3HD ARG 4 -26.547 -1.775 -24.705 31 HE ARG 4 HE ARG 4 -26.863 0.101 -22.585 32 HH11 ARG 4 1HH1 ARG 4 -28.001 -3.060 -23.654 33 HH12 ARG 4 2HH1 ARG 4 -28.396 -3.589 -22.051 34 HH21 ARG 4 1HH2 ARG 4 -27.410 -0.614 -20.497 35 HH22 ARG 4 2HH2 ARG 4 -28.083 -2.195 -20.263 36 H VAL 5 H VAL 5 -28.914 2.131 -28.924 37 HA VAL 5 HA VAL 5 -28.094 0.907 -31.388 38 HB VAL 5 HB VAL 5 -30.382 1.712 -31.179 39 HG11 VAL 5 1HG1 VAL 5 -30.064 3.582 -29.628 40 HG12 VAL 5 2HG1 VAL 5 -30.969 4.110 -31.045 41 HG13 VAL 5 3HG1 VAL 5 -29.259 4.525 -30.889 42 HG21 VAL 5 3HG2 VAL 5 -29.428 1.709 -33.444 43 HG22 VAL 5 1HG2 VAL 5 -28.887 3.377 -33.243 44 HG23 VAL 5 2HG2 VAL 5 -30.613 3.002 -33.270 45 H ARG 6 H ARG 6 -27.402 4.004 -29.796 46 HA ARG 6 HA ARG 6 -25.535 4.832 -31.917 47 HB2 ARG 6 2HB ARG 6 -27.280 6.439 -31.128 48 HB3 ARG 6 3HB ARG 6 -26.616 6.358 -29.499 49 HG2 ARG 6 2HG ARG 6 -24.501 7.359 -30.308 50 HG3 ARG 6 3HG ARG 6 -25.154 7.415 -31.946 51 HD2 ARG 6 2HD ARG 6 -26.982 8.924 -31.101 52 HD3 ARG 6 3HD ARG 6 -26.173 8.944 -29.531 53 HE ARG 6 HE ARG 6 -24.256 9.992 -30.624 54 HH11 ARG 6 1HH1 ARG 6 -27.319 10.137 -32.370 55 HH12 ARG 6 2HH1 ARG 6 -26.869 11.546 -33.273 56 HH21 ARG 6 1HH2 ARG 6 -23.690 11.821 -31.848 57 HH22 ARG 6 2HH2 ARG 6 -24.814 12.492 -32.986 58 H LEU 7 H LEU 7 -23.341 5.238 -31.464 59 HA LEU 7 HA LEU 7 -22.159 3.823 -29.253 60 HB2 LEU 7 2HB LEU 7 -21.166 4.086 -31.615 61 HB3 LEU 7 3HB LEU 7 -20.711 5.713 -31.156 62 HG LEU 7 HG LEU 7 -19.725 3.283 -29.597 63 HD11 LEU 7 1HD1 LEU 7 -18.350 4.577 -31.962 64 HD12 LEU 7 2HD1 LEU 7 -19.038 2.954 -31.909 65 HD13 LEU 7 3HD1 LEU 7 -17.643 3.351 -30.906 66 HD21 LEU 7 3HD2 LEU 7 -18.604 6.102 -29.812 67 HD22 LEU 7 1HD2 LEU 7 -17.867 4.773 -28.907 68 HD23 LEU 7 2HD2 LEU 7 -19.435 5.408 -28.421 69 H ILE 8 H ILE 8 -23.081 4.874 -27.470 70 HA ILE 8 HA ILE 8 -21.917 7.481 -26.713 71 HB ILE 8 HB ILE 8 -23.894 5.682 -25.209 72 HG12 ILE 8 2HG1 ILE 8 -24.435 8.277 -26.751 73 HG13 ILE 8 3HG1 ILE 8 -24.864 6.664 -27.316 74 HG21 ILE 8 1HG2 ILE 8 -24.219 7.644 -23.718 75 HG22 ILE 8 2HG2 ILE 8 -22.970 8.521 -24.605 76 HG23 ILE 8 3HG2 ILE 8 -22.546 7.077 -23.687 77 HD11 ILE 8 3HD1 ILE 8 -26.780 7.839 -26.434 78 HD12 ILE 8 1HD1 ILE 8 -25.976 8.051 -24.878 79 HD13 ILE 8 2HD1 ILE 8 -26.413 6.432 -25.438 80 H ARG 9 H ARG 9 -20.027 7.443 -25.560 81 HA ARG 9 HA ARG 9 -18.564 5.048 -25.310 82 HB2 ARG 9 2HB ARG 9 -17.987 7.683 -23.908 83 HB3 ARG 9 3HB ARG 9 -16.850 6.356 -24.120 84 HG2 ARG 9 2HG ARG 9 -17.287 6.689 -26.675 85 HG3 ARG 9 3HG ARG 9 -17.941 8.252 -26.189 86 HD2 ARG 9 2HD ARG 9 -15.124 7.237 -25.714 87 HD3 ARG 9 3HD ARG 9 -15.616 8.490 -26.850 88 HE ARG 9 HE ARG 9 -16.383 9.225 -24.226 89 HH11 ARG 9 1HH1 ARG 9 -13.511 9.023 -26.266 90 HH12 ARG 9 2HH1 ARG 9 -12.633 10.196 -25.337 91 HH21 ARG 9 1HH2 ARG 9 -15.180 10.742 -23.027 92 HH22 ARG 9 2HH2 ARG 9 -13.568 11.160 -23.521 93 H THR 10 H THR 10 -17.712 4.002 -23.416 94 HA THR 10 HA THR 10 -19.733 2.837 -21.969 95 HB THR 10 HB THR 10 -17.849 1.787 -20.560 96 HG1 THR 10 HG1 THR 10 -16.419 3.655 -20.832 97 HG21 THR 10 3HG2 THR 10 -17.525 1.699 -23.588 98 HG22 THR 10 1HG2 THR 10 -18.658 0.718 -22.654 99 HG23 THR 10 2HG2 THR 10 -16.918 0.497 -22.451 100 H ARG 11 H ARG 11 -21.024 4.214 -20.851 101 HA ARG 11 HA ARG 11 -20.117 5.058 -18.183 102 HB2 ARG 11 2HB ARG 11 -19.966 7.074 -19.694 103 HB3 ARG 11 3HB ARG 11 -21.670 6.889 -20.094 104 HG2 ARG 11 2HG ARG 11 -21.362 8.674 -18.437 105 HG3 ARG 11 3HG ARG 11 -22.264 7.335 -17.716 106 HD2 ARG 11 2HD ARG 11 -20.133 6.511 -16.683 107 HD3 ARG 11 3HD ARG 11 -19.302 7.923 -17.347 108 HE ARG 11 HE ARG 11 -21.451 8.889 -15.882 109 HH11 ARG 11 1HH1 ARG 11 -18.515 7.055 -15.210 110 HH12 ARG 11 2HH1 ARG 11 -18.381 7.639 -13.582 111 HH21 ARG 11 1HH2 ARG 11 -21.272 9.625 -13.732 112 HH22 ARG 11 2HH2 ARG 11 -19.949 9.087 -12.747 113 H GLY 12 H GLY 12 -21.829 5.042 -16.645 114 HA2 GLY 12 2HA GLY 12 -23.939 4.517 -15.808 115 HA3 GLY 12 3HA GLY 12 -24.507 4.190 -17.439 116 H GLY 13 H GLY 13 -21.762 2.517 -17.402 117 HA2 GLY 13 2HA GLY 13 -22.962 -0.050 -16.906 118 HA3 GLY 13 3HA GLY 13 -21.310 0.281 -17.412 119 H ASN 14 H ASN 14 -23.477 0.203 -14.655 120 HA ASN 14 HA ASN 14 -21.538 0.591 -12.612 121 HB2 ASN 14 2HB ASN 14 -24.222 -0.865 -12.433 122 HB3 ASN 14 3HB ASN 14 -23.284 -0.259 -11.072 123 HD21 ASN 14 1HD2 ASN 14 -25.405 0.600 -13.686 124 HD22 ASN 14 2HD2 ASN 14 -25.683 2.229 -13.186 125 H THR 15 H THR 15 -19.781 -0.712 -12.884 126 HA THR 15 HA THR 15 -19.976 -3.594 -13.298 127 HB THR 15 HB THR 15 -17.428 -3.420 -13.272 128 HG1 THR 15 HG1 THR 15 -16.758 -1.087 -13.539 129 HG21 THR 15 3HG2 THR 15 -18.864 -1.582 -15.231 130 HG22 THR 15 1HG2 THR 15 -18.660 -3.328 -15.412 131 HG23 THR 15 2HG2 THR 15 -17.252 -2.266 -15.449 132 H LYS 16 H LYS 16 -18.381 -4.924 -11.905 133 HA LYS 16 HA LYS 16 -18.254 -4.124 -9.081 134 HB2 LYS 16 2HB LYS 16 -19.130 -6.291 -8.289 135 HB3 LYS 16 3HB LYS 16 -20.340 -5.403 -9.174 136 HG2 LYS 16 2HG LYS 16 -18.766 -7.690 -10.388 137 HG3 LYS 16 3HG LYS 16 -20.308 -7.904 -9.562 138 HD2 LYS 16 2HD LYS 16 -19.818 -6.309 -12.118 139 HD3 LYS 16 3HD LYS 16 -20.640 -7.865 -11.999 140 HE2 LYS 16 2HE LYS 16 -21.607 -5.215 -10.884 141 HE3 LYS 16 3HE LYS 16 -22.291 -6.098 -12.246 142 HZ1 LYS 16 3HZ LYS 16 -23.584 -6.393 -10.249 143 HZ2 LYS 16 1HZ LYS 16 -22.248 -7.027 -9.434 144 HZ3 LYS 16 2HZ LYS 16 -22.917 -7.863 -10.742 145 H VAL 17 H VAL 17 -16.267 -4.077 -10.923 146 HA VAL 17 HA VAL 17 -14.627 -6.446 -10.862 147 HB VAL 17 HB VAL 17 -13.891 -3.606 -11.720 148 HG11 VAL 17 1HG1 VAL 17 -12.005 -4.685 -12.948 149 HG12 VAL 17 2HG1 VAL 17 -12.447 -6.237 -12.230 150 HG13 VAL 17 3HG1 VAL 17 -11.882 -4.918 -11.203 151 HG21 VAL 17 3HG2 VAL 17 -14.792 -5.953 -13.440 152 HG22 VAL 17 1HG2 VAL 17 -14.215 -4.399 -14.051 153 HG23 VAL 17 2HG2 VAL 17 -15.711 -4.483 -13.117 154 H ARG 18 H ARG 18 -13.623 -7.034 -9.025 155 HA ARG 18 HA ARG 18 -12.527 -5.109 -7.125 156 HB2 ARG 18 2HB ARG 18 -12.263 -8.148 -7.183 157 HB3 ARG 18 3HB ARG 18 -11.650 -7.109 -5.905 158 HG2 ARG 18 2HG ARG 18 -13.621 -8.024 -5.018 159 HG3 ARG 18 3HG ARG 18 -14.106 -6.406 -5.517 160 HD2 ARG 18 2HD ARG 18 -15.309 -7.235 -7.403 161 HD3 ARG 18 3HD ARG 18 -14.520 -8.813 -7.317 162 HE ARG 18 HE ARG 18 -15.867 -8.560 -4.934 163 HH11 ARG 18 1HH1 ARG 18 -16.873 -8.385 -8.290 164 HH12 ARG 18 2HH1 ARG 18 -18.384 -9.177 -8.007 165 HH21 ARG 18 1HH2 ARG 18 -17.865 -9.639 -4.577 166 HH22 ARG 18 2HH2 ARG 18 -18.952 -9.882 -5.910 167 H LEU 19 H LEU 19 -11.077 -7.916 -8.804 168 HA LEU 19 HA LEU 19 -8.586 -6.374 -9.249 169 HB2 LEU 19 2HB LEU 19 -9.048 -9.382 -9.220 170 HB3 LEU 19 3HB LEU 19 -7.512 -8.615 -9.564 171 HG LEU 19 HG LEU 19 -8.974 -8.457 -6.901 172 HD11 LEU 19 1HD1 LEU 19 -8.095 -10.717 -7.292 173 HD12 LEU 19 2HD1 LEU 19 -7.199 -9.895 -6.017 174 HD13 LEU 19 3HD1 LEU 19 -6.495 -10.044 -7.627 175 HD21 LEU 19 3HD2 LEU 19 -7.656 -6.435 -7.300 176 HD22 LEU 19 1HD2 LEU 19 -6.227 -7.409 -7.657 177 HD23 LEU 19 2HD2 LEU 19 -6.924 -7.418 -6.034 178 H ALA 20 H ALA 20 -9.907 -9.213 -10.976 179 HA ALA 20 HA ALA 20 -9.836 -9.845 -13.144 180 HB1 ALA 20 3HB ALA 20 -11.960 -8.600 -13.076 181 HB2 ALA 20 1HB ALA 20 -11.208 -8.499 -14.671 182 HB3 ALA 20 2HB ALA 20 -11.123 -7.128 -13.562 183 H SER 21 H SER 21 -7.544 -9.855 -13.214 184 HA SER 21 HA SER 21 -5.561 -9.607 -14.232 185 HB2 SER 21 2HB SER 21 -6.810 -9.049 -16.329 186 HB3 SER 21 3HB SER 21 -6.760 -7.347 -15.884 187 HG SER 21 HG SER 21 -4.657 -7.275 -16.317 188 H ASP 22 H ASP 22 -6.969 -6.372 -13.604 189 HA ASP 22 HA ASP 22 -4.551 -5.141 -12.716 190 HB2 ASP 22 2HB ASP 22 -7.472 -4.331 -12.354 191 HB3 ASP 22 3HB ASP 22 -6.113 -3.326 -11.868 192 H THR 23 H THR 23 -4.837 -3.926 -10.442 193 HA THR 23 HA THR 23 -5.359 -5.892 -8.343 194 HB THR 23 HB THR 23 -2.545 -4.725 -8.578 195 HG1 THR 23 HG1 THR 23 -2.737 -6.139 -10.287 196 HG21 THR 23 3HG2 THR 23 -3.651 -7.032 -6.926 197 HG22 THR 23 1HG2 THR 23 -3.252 -5.428 -6.302 198 HG23 THR 23 2HG2 THR 23 -1.980 -6.472 -6.931 199 H ARG 24 H ARG 24 -6.304 -4.863 -6.717 200 HA ARG 24 HA ARG 24 -6.055 -1.931 -6.469 201 HB2 ARG 24 2HB ARG 24 -8.202 -3.876 -5.514 202 HB3 ARG 24 3HB ARG 24 -8.184 -2.168 -5.094 203 HG2 ARG 24 2HG ARG 24 -8.349 -3.230 -7.928 204 HG3 ARG 24 3HG ARG 24 -9.730 -2.700 -6.965 205 HD2 ARG 24 2HD ARG 24 -8.698 -0.432 -6.807 206 HD3 ARG 24 3HD ARG 24 -7.391 -0.990 -7.865 207 HE ARG 24 HE ARG 24 -9.407 -1.529 -9.433 208 HH11 ARG 24 1HH1 ARG 24 -9.039 1.304 -7.410 209 HH12 ARG 24 2HH1 ARG 24 -9.983 2.318 -8.442 210 HH21 ARG 24 1HH2 ARG 24 -10.645 -0.207 -10.799 211 HH22 ARG 24 2HH2 ARG 24 -10.901 1.452 -10.374 212 H ILE 25 H ILE 25 -5.568 -1.012 -4.451 213 HA ILE 25 HA ILE 25 -5.116 -2.747 -2.135 214 HB ILE 25 HB ILE 25 -2.946 -2.647 -3.334 215 HG12 ILE 25 2HG1 ILE 25 -2.838 -0.967 -0.779 216 HG13 ILE 25 3HG1 ILE 25 -2.966 -2.721 -0.811 217 HG21 ILE 25 1HG2 ILE 25 -1.726 -0.522 -3.629 218 HG22 ILE 25 2HG2 ILE 25 -3.108 0.375 -3.005 219 HG23 ILE 25 3HG2 ILE 25 -3.246 -0.513 -4.524 220 HD11 ILE 25 3HD1 ILE 25 -0.784 -2.835 -1.929 221 HD12 ILE 25 1HD1 ILE 25 -0.710 -2.039 -0.355 222 HD13 ILE 25 2HD1 ILE 25 -0.658 -1.076 -1.831 223 H ASN 26 H ASN 26 -5.282 -1.631 -0.142 224 HA ASN 26 HA ASN 26 -6.110 1.205 -0.220 225 HB2 ASN 26 2HB ASN 26 -6.179 -0.853 2.028 226 HB3 ASN 26 3HB ASN 26 -6.772 0.801 2.152 227 HD21 ASN 26 1HD2 ASN 26 -7.392 -2.371 0.886 228 HD22 ASN 26 2HD2 ASN 26 -9.009 -2.062 0.363 229 H VAL 27 H VAL 27 -4.272 2.372 -0.353 230 HA VAL 27 HA VAL 27 -1.865 1.716 1.158 231 HB VAL 27 HB VAL 27 -2.430 4.111 -0.654 232 HG11 VAL 27 1HG1 VAL 27 -0.593 4.579 0.898 233 HG12 VAL 27 2HG1 VAL 27 0.032 4.391 -0.742 234 HG13 VAL 27 3HG1 VAL 27 0.218 3.081 0.426 235 HG21 VAL 27 3HG2 VAL 27 -2.592 2.019 -1.921 236 HG22 VAL 27 1HG2 VAL 27 -0.994 1.521 -1.348 237 HG23 VAL 27 2HG2 VAL 27 -1.160 2.933 -2.398 238 H VAL 28 H VAL 28 -1.852 2.297 3.263 239 HA VAL 28 HA VAL 28 -3.351 4.657 4.211 240 HB VAL 28 HB VAL 28 -2.095 2.377 5.826 241 HG11 VAL 28 1HG1 VAL 28 -4.019 4.552 6.710 242 HG12 VAL 28 2HG1 VAL 28 -2.311 4.433 7.137 243 HG13 VAL 28 3HG1 VAL 28 -3.447 3.211 7.710 244 HG21 VAL 28 3HG2 VAL 28 -4.389 1.510 6.150 245 HG22 VAL 28 1HG2 VAL 28 -3.912 1.487 4.451 246 HG23 VAL 28 2HG2 VAL 28 -5.011 2.736 5.041 247 H ASP 29 H ASP 29 -1.907 6.329 3.747 248 HA ASP 29 HA ASP 29 0.841 6.386 4.250 249 HB2 ASP 29 2HB ASP 29 -0.273 8.147 2.932 250 HB3 ASP 29 3HB ASP 29 -1.157 8.692 4.361 251 HA PRO 30 HA PRO 30 0.329 5.939 8.743 252 HB2 PRO 30 2HB PRO 30 2.904 5.512 9.433 253 HB3 PRO 30 3HB PRO 30 2.001 4.323 8.482 254 HG2 PRO 30 2HG PRO 30 3.932 6.438 7.503 255 HG3 PRO 30 3HG PRO 30 3.880 4.707 7.096 256 HD2 PRO 30 2HD PRO 30 2.782 6.625 5.490 257 HD3 PRO 30 3HD PRO 30 2.111 4.986 5.607 258 H GLU 31 H GLU 31 1.738 8.567 7.161 259 HA GLU 31 HA GLU 31 2.975 9.859 9.452 260 HB2 GLU 31 2HB GLU 31 2.505 11.019 6.680 261 HB3 GLU 31 3HB GLU 31 3.736 11.493 7.842 262 HG2 GLU 31 2HG GLU 31 3.663 8.793 6.459 263 HG3 GLU 31 3HG GLU 31 4.574 10.175 5.861 264 H THR 32 H THR 32 0.412 10.702 7.138 265 HA THR 32 HA THR 32 -0.893 12.525 9.035 266 HB THR 32 HB THR 32 -2.283 13.141 7.013 267 HG1 THR 32 HG1 THR 32 -0.530 11.707 5.374 268 HG21 THR 32 3HG2 THR 32 0.712 13.248 6.501 269 HG22 THR 32 1HG2 THR 32 -0.202 14.411 7.471 270 HG23 THR 32 2HG2 THR 32 -0.509 14.272 5.739 271 H GLY 33 H GLY 33 -1.442 9.434 7.409 272 HA2 GLY 33 2HA GLY 33 -2.923 7.755 8.280 273 HA3 GLY 33 3HA GLY 33 -3.945 9.015 8.953 274 H LYS 34 H LYS 34 -2.915 9.754 5.805 275 HA LYS 34 HA LYS 34 -5.508 9.667 4.665 276 HB2 LYS 34 2HB LYS 34 -2.754 9.996 3.416 277 HB3 LYS 34 3HB LYS 34 -4.241 10.149 2.488 278 HG2 LYS 34 2HG LYS 34 -3.540 11.876 4.886 279 HG3 LYS 34 3HG LYS 34 -3.226 12.327 3.211 280 HD2 LYS 34 2HD LYS 34 -5.979 11.751 4.359 281 HD3 LYS 34 3HD LYS 34 -5.302 13.360 4.131 282 HE2 LYS 34 2HE LYS 34 -5.189 12.991 1.699 283 HE3 LYS 34 3HE LYS 34 -5.815 11.354 1.915 284 HZ1 LYS 34 3HZ LYS 34 -7.537 12.914 1.229 285 HZ2 LYS 34 1HZ LYS 34 -7.273 13.855 2.602 286 HZ3 LYS 34 2HZ LYS 34 -7.870 12.282 2.758 287 H VAL 35 H VAL 35 -6.590 7.841 4.154 288 HA VAL 35 HA VAL 35 -5.182 5.500 2.998 289 HB VAL 35 HB VAL 35 -8.060 5.624 4.043 290 HG11 VAL 35 1HG1 VAL 35 -7.951 3.158 4.051 291 HG12 VAL 35 2HG1 VAL 35 -6.318 3.216 3.382 292 HG13 VAL 35 3HG1 VAL 35 -7.679 3.808 2.429 293 HG21 VAL 35 3HG2 VAL 35 -6.512 6.065 5.910 294 HG22 VAL 35 1HG2 VAL 35 -5.592 4.611 5.510 295 HG23 VAL 35 2HG2 VAL 35 -7.256 4.475 6.082 296 H GLU 36 H GLU 36 -5.350 5.189 0.852 297 HA GLU 36 HA GLU 36 -7.732 6.121 -0.642 298 HB2 GLU 36 2HB GLU 36 -5.950 7.771 -1.032 299 HB3 GLU 36 3HB GLU 36 -4.804 6.496 -1.414 300 HG2 GLU 36 2HG GLU 36 -5.449 7.566 -3.462 301 HG3 GLU 36 3HG GLU 36 -6.149 5.950 -3.448 302 H ILE 37 H ILE 37 -8.491 4.659 -2.130 303 HA ILE 37 HA ILE 37 -7.205 2.075 -2.438 304 HB ILE 37 HB ILE 37 -9.684 3.211 -3.827 305 HG12 ILE 37 2HG1 ILE 37 -9.408 1.210 -1.518 306 HG13 ILE 37 3HG1 ILE 37 -9.996 2.862 -1.382 307 HG21 ILE 37 1HG2 ILE 37 -8.562 0.366 -3.898 308 HG22 ILE 37 2HG2 ILE 37 -8.610 1.494 -5.254 309 HG23 ILE 37 3HG2 ILE 37 -10.113 0.863 -4.585 310 HD11 ILE 37 3HD1 ILE 37 -11.930 2.279 -2.757 311 HD12 ILE 37 1HD1 ILE 37 -11.816 1.292 -1.303 312 HD13 ILE 37 2HD1 ILE 37 -11.347 0.615 -2.863 313 H ALA 38 H ALA 38 -5.682 1.717 -3.889 314 HA ALA 38 HA ALA 38 -5.251 3.547 -6.172 315 HB1 ALA 38 3HB ALA 38 -3.121 2.376 -4.335 316 HB2 ALA 38 1HB ALA 38 -3.623 4.065 -4.384 317 HB3 ALA 38 2HB ALA 38 -2.812 3.347 -5.778 318 H GLU 39 H GLU 39 -3.786 2.510 -7.773 319 HA GLU 39 HA GLU 39 -4.346 -0.374 -8.151 320 HB2 GLU 39 2HB GLU 39 -3.532 1.840 -10.091 321 HB3 GLU 39 3HB GLU 39 -3.619 0.147 -10.544 322 HG2 GLU 39 2HG GLU 39 -6.042 1.510 -9.379 323 HG3 GLU 39 3HG GLU 39 -5.620 1.737 -11.069 324 H ILE 40 H ILE 40 -2.641 -1.754 -7.886 325 HA ILE 40 HA ILE 40 -0.009 -0.790 -7.237 326 HB ILE 40 HB ILE 40 -1.047 -3.625 -7.694 327 HG12 ILE 40 2HG1 ILE 40 -0.462 -2.053 -5.133 328 HG13 ILE 40 3HG1 ILE 40 -2.050 -2.502 -5.733 329 HG21 ILE 40 1HG2 ILE 40 1.670 -2.765 -6.620 330 HG22 ILE 40 2HG2 ILE 40 1.371 -3.584 -8.154 331 HG23 ILE 40 3HG2 ILE 40 1.060 -4.423 -6.632 332 HD11 ILE 40 3HD1 ILE 40 -1.370 -3.872 -3.861 333 HD12 ILE 40 1HD1 ILE 40 0.052 -4.422 -4.748 334 HD13 ILE 40 2HD1 ILE 40 -1.564 -4.841 -5.318 335 H ARG 41 H ARG 41 1.243 -0.030 -8.756 336 HA ARG 41 HA ARG 41 0.830 -0.361 -11.558 337 HB2 ARG 41 2HB ARG 41 1.594 1.760 -10.529 338 HB3 ARG 41 3HB ARG 41 3.073 0.976 -9.975 339 HG2 ARG 41 2HG ARG 41 3.806 0.662 -12.305 340 HG3 ARG 41 3HG ARG 41 2.304 1.380 -12.891 341 HD2 ARG 41 2HD ARG 41 2.929 3.514 -11.749 342 HD3 ARG 41 3HD ARG 41 4.461 2.771 -11.270 343 HE ARG 41 HE ARG 41 4.640 2.423 -13.858 344 HH11 ARG 41 1HH1 ARG 41 3.487 5.299 -12.203 345 HH12 ARG 41 2HH1 ARG 41 3.949 6.363 -13.491 346 HH21 ARG 41 1HH2 ARG 41 5.234 3.822 -15.530 347 HH22 ARG 41 2HH2 ARG 41 4.961 5.526 -15.373 348 H ASN 42 H ASN 42 3.064 -1.625 -9.185 349 HA ASN 42 HA ASN 42 4.083 -3.709 -10.894 350 HB2 ASN 42 2HB ASN 42 5.462 -1.806 -11.690 351 HB3 ASN 42 3HB ASN 42 5.898 -1.397 -10.038 352 HD21 ASN 42 1HD2 ASN 42 8.077 -1.526 -10.590 353 HD22 ASN 42 2HD2 ASN 42 8.886 -3.037 -10.821 354 H VAL 43 H VAL 43 5.247 -5.264 -9.656 355 HA VAL 43 HA VAL 43 5.023 -4.961 -6.703 356 HB VAL 43 HB VAL 43 5.007 -7.598 -8.251 357 HG11 VAL 43 1HG1 VAL 43 4.297 -8.603 -6.099 358 HG12 VAL 43 2HG1 VAL 43 4.451 -7.030 -5.318 359 HG13 VAL 43 3HG1 VAL 43 5.882 -7.832 -5.966 360 HG21 VAL 43 3HG2 VAL 43 2.605 -7.764 -7.757 361 HG22 VAL 43 1HG2 VAL 43 2.954 -6.355 -8.762 362 HG23 VAL 43 2HG2 VAL 43 2.629 -6.151 -7.038 363 H VAL 44 H VAL 44 7.035 -4.005 -6.542 364 HA VAL 44 HA VAL 44 9.345 -5.781 -6.850 365 HB VAL 44 HB VAL 44 9.245 -4.243 -8.880 366 HG11 VAL 44 1HG1 VAL 44 9.868 -1.876 -8.649 367 HG12 VAL 44 2HG1 VAL 44 9.804 -2.017 -6.892 368 HG13 VAL 44 3HG1 VAL 44 8.334 -2.219 -7.849 369 HG21 VAL 44 3HG2 VAL 44 11.679 -3.896 -7.095 370 HG22 VAL 44 1HG2 VAL 44 11.629 -3.627 -8.842 371 HG23 VAL 44 2HG2 VAL 44 11.368 -5.244 -8.192 372 H GLU 45 H GLU 45 10.733 -5.609 -5.184 373 HA GLU 45 HA GLU 45 9.973 -3.895 -2.918 374 HB2 GLU 45 2HB GLU 45 11.823 -6.323 -2.979 375 HB3 GLU 45 3HB GLU 45 11.234 -5.501 -1.538 376 HG2 GLU 45 2HG GLU 45 8.910 -6.165 -2.132 377 HG3 GLU 45 3HG GLU 45 9.549 -7.037 -3.528 378 H ASN 46 H ASN 46 12.838 -5.034 -4.622 379 HA ASN 46 HA ASN 46 15.003 -4.440 -4.724 380 HB2 ASN 46 2HB ASN 46 13.790 -1.656 -4.499 381 HB3 ASN 46 3HB ASN 46 15.484 -1.943 -4.898 382 HD21 ASN 46 1HD2 ASN 46 13.154 -0.795 -6.451 383 HD22 ASN 46 2HD2 ASN 46 13.180 -1.660 -7.943 384 H THR 47 H THR 47 13.870 -5.191 -2.238 385 HA THR 47 HA THR 47 15.415 -3.821 -0.173 386 HB THR 47 HB THR 47 14.260 -5.499 1.349 387 HG1 THR 47 HG1 THR 47 12.526 -6.716 0.380 388 HG21 THR 47 3HG2 THR 47 12.380 -3.896 -0.434 389 HG22 THR 47 1HG2 THR 47 13.208 -3.293 1.004 390 HG23 THR 47 2HG2 THR 47 11.978 -4.549 1.154 391 H ALA 48 H ALA 48 14.979 -7.203 -1.276 392 HA ALA 48 HA ALA 48 17.831 -7.651 -1.508 393 HB1 ALA 48 3HB ALA 48 16.253 -9.242 0.558 394 HB2 ALA 48 1HB ALA 48 17.516 -8.063 0.907 395 HB3 ALA 48 2HB ALA 48 17.922 -9.564 0.073 396 H ASN 49 H ASN 49 16.924 -7.769 -3.663 397 HA ASN 49 HA ASN 49 16.462 -8.841 -5.570 398 HB2 ASN 49 2HB ASN 49 16.931 -11.337 -3.891 399 HB3 ASN 49 3HB ASN 49 16.709 -11.367 -5.641 400 HD21 ASN 49 1HD2 ASN 49 18.804 -12.293 -5.824 401 HD22 ASN 49 2HD2 ASN 49 20.235 -11.343 -5.656 402 HA PRO 50 HA PRO 50 11.958 -9.206 -4.628 403 HB2 PRO 50 2HB PRO 50 11.540 -7.890 -7.247 404 HB3 PRO 50 3HB PRO 50 11.146 -7.295 -5.632 405 HG2 PRO 50 2HG PRO 50 13.127 -6.207 -7.159 406 HG3 PRO 50 3HG PRO 50 13.181 -6.225 -5.387 407 HD2 PRO 50 2HD PRO 50 14.564 -8.065 -7.333 408 HD3 PRO 50 3HD PRO 50 15.199 -7.285 -5.864 409 H HIS 51 H HIS 51 13.756 -10.212 -7.451 410 HA HIS 51 HA HIS 51 11.528 -11.759 -8.579 411 HB2 HIS 51 2HB HIS 51 14.324 -11.172 -9.670 412 HB3 HIS 51 3HB HIS 51 13.095 -12.102 -10.520 413 HD1 HIS 51 HD1 HIS 51 11.712 -10.797 -12.110 414 HD2 HIS 51 HD2 HIS 51 13.354 -8.349 -9.177 415 HE1 HIS 51 HE1 HIS 51 11.080 -8.458 -12.744 416 HE2 HIS 51 HE2 HIS 51 12.198 -6.990 -11.047 417 H PHE 52 H PHE 52 11.512 -13.214 -6.771 418 HA PHE 52 HA PHE 52 13.509 -15.408 -6.968 419 HB2 PHE 52 2HB PHE 52 12.730 -16.064 -4.650 420 HB3 PHE 52 3HB PHE 52 13.565 -14.520 -4.730 421 HD1 PHE 52 HD1 PHE 52 10.297 -16.154 -4.153 422 HD2 PHE 52 HD2 PHE 52 12.388 -12.419 -4.260 423 HE1 PHE 52 HE1 PHE 52 8.422 -15.067 -3.010 424 HE2 PHE 52 HE2 PHE 52 10.505 -11.340 -3.120 425 HZ PHE 52 HZ PHE 52 8.517 -12.659 -2.499 426 H VAL 53 H VAL 53 10.701 -14.550 -8.196 427 HA VAL 53 HA VAL 53 9.722 -17.234 -8.672 428 HB VAL 53 HB VAL 53 8.540 -16.709 -6.566 429 HG11 VAL 53 1HG1 VAL 53 6.982 -14.797 -6.345 430 HG12 VAL 53 2HG1 VAL 53 7.481 -14.207 -7.932 431 HG13 VAL 53 3HG1 VAL 53 8.643 -14.253 -6.604 432 HG21 VAL 53 3HG2 VAL 53 6.191 -17.000 -7.280 433 HG22 VAL 53 1HG2 VAL 53 7.280 -18.009 -8.233 434 HG23 VAL 53 2HG2 VAL 53 6.624 -16.525 -8.926 435 H ARG 54 H ARG 54 8.403 -17.313 -10.573 436 HA ARG 54 HA ARG 54 8.889 -15.354 -12.553 437 HB2 ARG 54 2HB ARG 54 8.500 -17.704 -13.136 438 HB3 ARG 54 3HB ARG 54 6.860 -17.628 -12.495 439 HG2 ARG 54 2HG ARG 54 6.271 -15.971 -14.267 440 HG3 ARG 54 3HG ARG 54 7.898 -16.135 -14.935 441 HD2 ARG 54 2HD ARG 54 7.483 -18.494 -15.423 442 HD3 ARG 54 3HD ARG 54 5.895 -18.406 -14.656 443 HE ARG 54 HE ARG 54 6.209 -16.520 -16.791 444 HH11 ARG 54 1HH1 ARG 54 5.325 -19.853 -16.074 445 HH12 ARG 54 2HH1 ARG 54 4.440 -20.057 -17.550 446 HH21 ARG 54 1HH2 ARG 54 5.019 -16.805 -18.703 447 HH22 ARG 54 2HH2 ARG 54 4.267 -18.328 -19.041 448 H ARG 55 H ARG 55 5.684 -16.319 -11.232 449 HA ARG 55 HA ARG 55 4.521 -13.749 -11.921 450 HB2 ARG 55 2HB ARG 55 3.190 -15.855 -12.106 451 HB3 ARG 55 3HB ARG 55 3.293 -16.076 -10.362 452 HG2 ARG 55 2HG ARG 55 2.021 -13.985 -10.015 453 HG3 ARG 55 3HG ARG 55 1.947 -13.731 -11.759 454 HD2 ARG 55 2HD ARG 55 0.650 -15.849 -11.986 455 HD3 ARG 55 3HD ARG 55 0.672 -16.020 -10.221 456 HE ARG 55 HE ARG 55 -0.477 -13.609 -11.481 457 HH11 ARG 55 1HH1 ARG 55 -0.969 -16.431 -9.453 458 HH12 ARG 55 2HH1 ARG 55 -2.585 -15.984 -9.018 459 HH21 ARG 55 1HH2 ARG 55 -2.616 -13.060 -10.905 460 HH22 ARG 55 2HH2 ARG 55 -3.522 -14.093 -9.844 461 H ASN 56 H ASN 56 4.289 -12.054 -10.553 462 HA ASN 56 HA ASN 56 5.695 -12.098 -8.026 463 HB2 ASN 56 2HB ASN 56 4.238 -9.865 -9.496 464 HB3 ASN 56 3HB ASN 56 5.180 -9.645 -8.026 465 HD21 ASN 56 1HD2 ASN 56 7.464 -9.913 -8.125 466 HD22 ASN 56 2HD2 ASN 56 8.312 -9.768 -9.623 467 H ILE 57 H ILE 57 3.963 -13.790 -7.329 468 HA ILE 57 HA ILE 57 1.519 -13.153 -6.295 469 HB ILE 57 HB ILE 57 3.666 -14.886 -4.986 470 HG12 ILE 57 2HG1 ILE 57 3.207 -15.645 -7.284 471 HG13 ILE 57 3HG1 ILE 57 2.533 -16.795 -6.142 472 HG21 ILE 57 1HG2 ILE 57 1.797 -16.075 -3.858 473 HG22 ILE 57 2HG2 ILE 57 0.653 -14.900 -4.512 474 HG23 ILE 57 3HG2 ILE 57 1.889 -14.383 -3.365 475 HD11 ILE 57 3HD1 ILE 57 0.290 -15.871 -6.521 476 HD12 ILE 57 1HD1 ILE 57 1.029 -16.449 -8.014 477 HD13 ILE 57 2HD1 ILE 57 0.964 -14.721 -7.678 478 H ILE 58 H ILE 58 1.090 -11.308 -5.275 479 HA ILE 58 HA ILE 58 2.813 -9.857 -3.551 480 HB ILE 58 HB ILE 58 -0.224 -9.691 -3.841 481 HG12 ILE 58 2HG1 ILE 58 2.008 -8.112 -5.216 482 HG13 ILE 58 3HG1 ILE 58 0.952 -9.292 -5.982 483 HG21 ILE 58 1HG2 ILE 58 -0.034 -7.423 -2.857 484 HG22 ILE 58 2HG2 ILE 58 1.695 -7.669 -2.612 485 HG23 ILE 58 3HG2 ILE 58 0.532 -8.654 -1.723 486 HD11 ILE 58 3HD1 ILE 58 0.109 -6.650 -4.829 487 HD12 ILE 58 1HD1 ILE 58 -0.960 -7.831 -5.593 488 HD13 ILE 58 2HD1 ILE 58 0.311 -7.043 -6.533 489 H THR 59 H THR 59 3.259 -10.249 -1.493 490 HA THR 59 HA THR 59 1.556 -12.021 0.163 491 HB THR 59 HB THR 59 3.770 -12.804 1.189 492 HG1 THR 59 HG1 THR 59 5.209 -11.266 0.486 493 HG21 THR 59 3HG2 THR 59 2.578 -14.257 -0.420 494 HG22 THR 59 1HG2 THR 59 4.328 -14.399 -0.616 495 HG23 THR 59 2HG2 THR 59 3.387 -13.446 -1.762 496 H ARG 60 H ARG 60 1.817 -11.655 2.479 497 HA ARG 60 HA ARG 60 1.900 -8.913 3.267 498 HB2 ARG 60 2HB ARG 60 0.459 -10.540 4.406 499 HB3 ARG 60 3HB ARG 60 1.858 -11.480 4.912 500 HG2 ARG 60 2HG ARG 60 2.600 -9.535 6.312 501 HG3 ARG 60 3HG ARG 60 1.120 -8.683 5.856 502 HD2 ARG 60 2HD ARG 60 0.937 -9.782 8.075 503 HD3 ARG 60 3HD ARG 60 -0.241 -10.415 6.914 504 HE ARG 60 HE ARG 60 2.156 -11.957 6.902 505 HH11 ARG 60 1HH1 ARG 60 -0.728 -11.493 8.857 506 HH12 ARG 60 2HH1 ARG 60 -0.717 -13.122 9.460 507 HH21 ARG 60 1HH2 ARG 60 2.146 -14.081 7.705 508 HH22 ARG 60 2HH2 ARG 60 0.896 -14.579 8.807 509 H GLY 61 H GLY 61 3.621 -7.725 4.016 510 HA2 GLY 61 2HA GLY 61 5.755 -7.345 4.950 511 HA3 GLY 61 3HA GLY 61 6.201 -9.012 4.631 512 H ALA 62 H ALA 62 4.891 -8.445 1.828 513 HA ALA 62 HA ALA 62 7.390 -7.795 0.498 514 HB1 ALA 62 3HB ALA 62 5.917 -9.549 -0.409 515 HB2 ALA 62 1HB ALA 62 6.171 -8.258 -1.587 516 HB3 ALA 62 2HB ALA 62 4.653 -8.352 -0.690 517 H VAL 63 H VAL 63 7.698 -6.066 -0.968 518 HA VAL 63 HA VAL 63 6.115 -3.646 -0.423 519 HB VAL 63 HB VAL 63 8.789 -3.916 -1.840 520 HG11 VAL 63 1HG1 VAL 63 7.570 -1.957 -2.652 521 HG12 VAL 63 2HG1 VAL 63 8.946 -1.458 -1.670 522 HG13 VAL 63 3HG1 VAL 63 7.317 -1.401 -0.992 523 HG21 VAL 63 3HG2 VAL 63 9.785 -2.902 0.183 524 HG22 VAL 63 1HG2 VAL 63 9.029 -4.461 0.531 525 HG23 VAL 63 2HG2 VAL 63 8.214 -2.962 0.985 526 H VAL 64 H VAL 64 4.642 -3.054 -1.820 527 HA VAL 64 HA VAL 64 4.905 -3.702 -4.698 528 HB VAL 64 HB VAL 64 2.400 -3.525 -4.797 529 HG11 VAL 64 1HG1 VAL 64 3.451 -5.652 -2.894 530 HG12 VAL 64 2HG1 VAL 64 3.426 -5.740 -4.658 531 HG13 VAL 64 3HG1 VAL 64 1.910 -5.723 -3.757 532 HG21 VAL 64 3HG2 VAL 64 1.065 -3.637 -2.713 533 HG22 VAL 64 1HG2 VAL 64 1.989 -2.135 -2.806 534 HG23 VAL 64 2HG2 VAL 64 2.531 -3.442 -1.749 535 H GLU 65 H GLU 65 4.638 -2.007 -6.114 536 HA GLU 65 HA GLU 65 4.661 0.717 -4.954 537 HB2 GLU 65 2HB GLU 65 6.697 0.118 -6.254 538 HB3 GLU 65 3HB GLU 65 5.703 -0.149 -7.686 539 HG2 GLU 65 2HG GLU 65 5.056 2.175 -7.777 540 HG3 GLU 65 3HG GLU 65 5.797 2.505 -6.213 541 H THR 66 H THR 66 3.241 2.266 -5.727 542 HA THR 66 HA THR 66 0.948 1.289 -7.317 543 HB THR 66 HB THR 66 -0.596 2.269 -5.641 544 HG1 THR 66 HG1 THR 66 1.444 2.602 -3.740 545 HG21 THR 66 3HG2 THR 66 1.373 0.363 -4.296 546 HG22 THR 66 1HG2 THR 66 -0.009 -0.106 -5.293 547 HG23 THR 66 2HG2 THR 66 -0.270 0.703 -3.748 548 H ASN 67 H ASN 67 -0.644 3.376 -7.401 549 HA ASN 67 HA ASN 67 0.640 5.445 -8.870 550 HB2 ASN 67 2HB ASN 67 -2.160 5.263 -7.693 551 HB3 ASN 67 3HB ASN 67 -1.625 6.589 -8.724 552 HD21 ASN 67 1HD2 ASN 67 -3.159 6.105 -10.309 553 HD22 ASN 67 2HD2 ASN 67 -3.037 4.721 -11.336 554 H LEU 68 H LEU 68 0.502 4.951 -5.512 555 HA LEU 68 HA LEU 68 0.779 7.820 -4.851 556 HB2 LEU 68 2HB LEU 68 0.182 5.413 -3.098 557 HB3 LEU 68 3HB LEU 68 0.323 7.068 -2.522 558 HG LEU 68 HG LEU 68 -1.794 6.134 -4.510 559 HD11 LEU 68 1HD1 LEU 68 -2.177 5.095 -2.334 560 HD12 LEU 68 2HD1 LEU 68 -3.401 6.307 -2.684 561 HD13 LEU 68 3HD1 LEU 68 -2.104 6.675 -1.548 562 HD21 LEU 68 3HD2 LEU 68 -2.865 8.304 -4.082 563 HD22 LEU 68 1HD2 LEU 68 -1.245 8.529 -4.744 564 HD23 LEU 68 2HD2 LEU 68 -1.536 8.771 -3.021 565 H GLY 69 H GLY 69 2.226 4.611 -4.150 566 HA2 GLY 69 2HA GLY 69 4.856 5.238 -4.767 567 HA3 GLY 69 3HA GLY 69 4.661 5.647 -3.062 568 H ASN 70 H ASN 70 6.362 3.951 -2.893 569 HA ASN 70 HA ASN 70 5.669 1.178 -3.199 570 HB2 ASN 70 2HB ASN 70 7.883 2.477 -1.538 571 HB3 ASN 70 3HB ASN 70 7.744 0.756 -1.879 572 HD21 ASN 70 1HD2 ASN 70 8.146 0.004 -4.018 573 HD22 ASN 70 2HD2 ASN 70 8.982 0.983 -5.174 574 H VAL 71 H VAL 71 4.899 -0.268 -1.623 575 HA VAL 71 HA VAL 71 3.864 0.862 0.917 576 HB VAL 71 HB VAL 71 2.292 -0.858 -1.083 577 HG11 VAL 71 1HG1 VAL 71 1.610 -1.283 1.235 578 HG12 VAL 71 2HG1 VAL 71 0.331 -0.451 0.353 579 HG13 VAL 71 3HG1 VAL 71 1.338 0.445 1.492 580 HG21 VAL 71 3HG2 VAL 71 0.876 1.136 -1.491 581 HG22 VAL 71 1HG2 VAL 71 2.551 1.405 -1.975 582 HG23 VAL 71 2HG2 VAL 71 1.948 2.101 -0.469 583 H ARG 72 H ARG 72 3.805 -0.610 2.625 584 HA ARG 72 HA ARG 72 4.921 -3.322 2.244 585 HB2 ARG 72 2HB ARG 72 4.623 -1.528 4.668 586 HB3 ARG 72 3HB ARG 72 4.538 -3.257 4.938 587 HG2 ARG 72 2HG ARG 72 6.886 -1.682 3.889 588 HG3 ARG 72 3HG ARG 72 6.757 -2.551 5.412 589 HD2 ARG 72 2HD ARG 72 6.412 -4.665 3.903 590 HD3 ARG 72 3HD ARG 72 7.113 -3.668 2.628 591 HE ARG 72 HE ARG 72 8.471 -4.950 4.764 592 HH11 ARG 72 1HH1 ARG 72 8.724 -2.047 2.787 593 HH12 ARG 72 2HH1 ARG 72 10.413 -1.848 3.098 594 HH21 ARG 72 1HH2 ARG 72 10.663 -4.668 5.153 595 HH22 ARG 72 2HH2 ARG 72 11.517 -3.337 4.444 596 H VAL 73 H VAL 73 3.502 -4.984 2.121 597 HA VAL 73 HA VAL 73 0.658 -4.547 2.499 598 HB VAL 73 HB VAL 73 2.146 -7.165 1.958 599 HG11 VAL 73 1HG1 VAL 73 -0.044 -7.986 1.111 600 HG12 VAL 73 2HG1 VAL 73 -0.800 -6.476 1.624 601 HG13 VAL 73 3HG1 VAL 73 -0.116 -7.571 2.826 602 HG21 VAL 73 3HG2 VAL 73 0.871 -5.239 -0.029 603 HG22 VAL 73 1HG2 VAL 73 1.558 -6.818 -0.421 604 HG23 VAL 73 2HG2 VAL 73 2.600 -5.531 0.180 605 H THR 74 H THR 74 0.288 -4.119 4.645 606 HA THR 74 HA THR 74 1.430 -5.585 6.824 607 HB THR 74 HB THR 74 -0.181 -4.151 8.197 608 HG1 THR 74 HG1 THR 74 -1.698 -3.089 7.153 609 HG21 THR 74 3HG2 THR 74 1.601 -2.686 6.201 610 HG22 THR 74 1HG2 THR 74 2.127 -3.390 7.734 611 HG23 THR 74 2HG2 THR 74 1.007 -2.027 7.727 612 H SER 75 H SER 75 -1.705 -5.551 5.215 613 HA SER 75 HA SER 75 -2.856 -7.564 7.020 614 HB2 SER 75 2HB SER 75 -4.189 -5.578 6.240 615 HB3 SER 75 3HB SER 75 -4.086 -6.190 4.589 616 HG SER 75 HG SER 75 -6.006 -6.709 6.036 617 H ARG 76 H ARG 76 -4.340 -9.189 5.560 618 HA ARG 76 HA ARG 76 -2.462 -10.829 4.076 619 HB2 ARG 76 2HB ARG 76 -5.383 -11.292 4.785 620 HB3 ARG 76 3HB ARG 76 -4.314 -12.481 4.047 621 HG2 ARG 76 2HG ARG 76 -2.857 -12.374 6.072 622 HG3 ARG 76 3HG ARG 76 -4.008 -11.258 6.802 623 HD2 ARG 76 2HD ARG 76 -5.743 -12.971 6.771 624 HD3 ARG 76 3HD ARG 76 -4.658 -14.097 5.949 625 HE ARG 76 HE ARG 76 -3.906 -13.011 8.577 626 HH11 ARG 76 1HH1 ARG 76 -4.834 -15.814 6.674 627 HH12 ARG 76 2HH1 ARG 76 -4.357 -16.940 7.898 628 HH21 ARG 76 1HH2 ARG 76 -3.298 -14.512 10.161 629 HH22 ARG 76 2HH2 ARG 76 -3.493 -16.208 9.869 630 HA PRO 77 HA PRO 77 -3.641 -8.523 0.403 631 HB2 PRO 77 2HB PRO 77 -2.035 -9.814 -1.417 632 HB3 PRO 77 3HB PRO 77 -1.405 -8.696 -0.203 633 HG2 PRO 77 2HG PRO 77 -1.521 -11.711 -0.100 634 HG3 PRO 77 3HG PRO 77 -0.157 -10.629 0.271 635 HD2 PRO 77 2HD PRO 77 -1.700 -11.674 2.223 636 HD3 PRO 77 3HD PRO 77 -1.029 -10.033 2.355 637 H GLY 78 H GLY 78 -5.174 -8.656 -1.140 638 HA2 GLY 78 2HA GLY 78 -6.546 -9.537 -2.797 639 HA3 GLY 78 3HA GLY 78 -5.884 -11.136 -2.494 640 H GLN 79 H GLN 79 -7.012 -9.380 0.264 641 HA GLN 79 HA GLN 79 -9.092 -11.266 0.818 642 HB2 GLN 79 2HB GLN 79 -9.576 -9.837 2.811 643 HB3 GLN 79 3HB GLN 79 -7.893 -10.312 2.680 644 HG2 GLN 79 2HG GLN 79 -7.299 -8.068 1.862 645 HG3 GLN 79 3HG GLN 79 -8.988 -7.582 1.947 646 HE21 GLN 79 1HE2 GLN 79 -7.287 -9.540 4.371 647 HE22 GLN 79 2HE2 GLN 79 -7.352 -8.360 5.627 648 H ASP 80 H ASP 80 -10.815 -11.304 -0.461 649 HA ASP 80 HA ASP 80 -12.634 -10.784 -1.698 650 HB2 ASP 80 2HB ASP 80 -12.641 -8.302 0.064 651 HB3 ASP 80 3HB ASP 80 -13.908 -8.630 -1.121 652 H GLY 81 H GLY 81 -10.303 -10.467 -2.929 653 HA2 GLY 81 2HA GLY 81 -9.166 -9.515 -4.639 654 HA3 GLY 81 3HA GLY 81 -10.706 -8.824 -5.111 655 H VAL 82 H VAL 82 -9.131 -7.954 -2.067 656 HA VAL 82 HA VAL 82 -7.702 -5.749 -3.382 657 HB VAL 82 HB VAL 82 -9.916 -4.831 -2.549 658 HG11 VAL 82 1HG1 VAL 82 -10.210 -4.362 -0.137 659 HG12 VAL 82 2HG1 VAL 82 -8.780 -5.335 0.219 660 HG13 VAL 82 3HG1 VAL 82 -10.208 -6.094 -0.483 661 HG21 VAL 82 3HG2 VAL 82 -8.952 -2.773 -1.583 662 HG22 VAL 82 1HG2 VAL 82 -8.012 -3.350 -2.960 663 HG23 VAL 82 2HG2 VAL 82 -7.420 -3.610 -1.319 664 H ILE 83 H ILE 83 -5.832 -5.211 -2.491 665 HA ILE 83 HA ILE 83 -4.703 -6.768 -0.264 666 HB ILE 83 HB ILE 83 -3.400 -4.885 -2.321 667 HG12 ILE 83 2HG1 ILE 83 -2.171 -6.992 -3.078 668 HG13 ILE 83 3HG1 ILE 83 -3.218 -7.920 -2.021 669 HG21 ILE 83 1HG2 ILE 83 -1.199 -5.575 -1.412 670 HG22 ILE 83 2HG2 ILE 83 -2.024 -6.469 -0.131 671 HG23 ILE 83 3HG2 ILE 83 -2.169 -4.714 -0.211 672 HD11 ILE 83 3HD1 ILE 83 -3.880 -8.035 -4.365 673 HD12 ILE 83 1HD1 ILE 83 -4.145 -6.291 -4.372 674 HD13 ILE 83 2HD1 ILE 83 -5.143 -7.332 -3.357 675 H ASN 84 H ASN 84 -3.952 -5.653 1.672 676 HA ASN 84 HA ASN 84 -4.460 -2.725 1.778 677 HB2 ASN 84 2HB ASN 84 -5.093 -4.754 3.961 678 HB3 ASN 84 3HB ASN 84 -5.009 -3.022 4.256 679 HD21 ASN 84 1HD2 ASN 84 -7.098 -2.583 4.730 680 HD22 ASN 84 2HD2 ASN 84 -8.445 -2.881 3.693 681 H GLY 85 H GLY 85 -2.912 -1.491 2.768 682 HA2 GLY 85 2HA GLY 85 -0.654 -2.601 4.169 683 HA3 GLY 85 3HA GLY 85 -0.285 -2.174 2.500 684 H VAL 86 H VAL 86 1.256 -0.783 3.909 685 HA VAL 86 HA VAL 86 0.020 1.867 4.412 686 HB VAL 86 HB VAL 86 1.568 2.264 6.300 687 HG11 VAL 86 1HG1 VAL 86 -0.075 -0.263 6.688 688 HG12 VAL 86 2HG1 VAL 86 -0.673 1.396 6.801 689 HG13 VAL 86 3HG1 VAL 86 0.503 0.803 7.974 690 HG21 VAL 86 3HG2 VAL 86 2.895 0.419 7.298 691 HG22 VAL 86 1HG2 VAL 86 3.434 0.785 5.657 692 HG23 VAL 86 2HG2 VAL 86 2.436 -0.636 5.961 693 H LEU 87 H LEU 87 1.203 3.661 3.762 694 HA LEU 87 HA LEU 87 3.001 3.306 1.593 695 HB2 LEU 87 2HB LEU 87 1.374 5.193 1.848 696 HB3 LEU 87 3HB LEU 87 2.374 5.852 3.128 697 HG LEU 87 HG LEU 87 4.226 6.226 1.505 698 HD11 LEU 87 1HD1 LEU 87 2.287 5.214 -0.607 699 HD12 LEU 87 2HD1 LEU 87 3.769 4.411 -0.080 700 HD13 LEU 87 3HD1 LEU 87 3.860 5.957 -0.919 701 HD21 LEU 87 3HD2 LEU 87 2.578 8.032 1.917 702 HD22 LEU 87 1HD2 LEU 87 1.604 7.447 0.567 703 HD23 LEU 87 2HD2 LEU 87 3.222 8.092 0.278 704 H ILE 88 H ILE 88 5.193 3.351 1.514 705 HA ILE 88 HA ILE 88 6.801 3.956 3.932 706 HB ILE 88 HB ILE 88 8.198 1.935 3.516 707 HG12 ILE 88 2HG1 ILE 88 6.145 1.316 1.352 708 HG13 ILE 88 3HG1 ILE 88 7.847 1.671 1.099 709 HG21 ILE 88 1HG2 ILE 88 6.653 0.203 4.344 710 HG22 ILE 88 2HG2 ILE 88 5.267 1.191 3.884 711 HG23 ILE 88 3HG2 ILE 88 6.360 1.743 5.154 712 HD11 ILE 88 3HD1 ILE 88 7.489 -0.637 0.795 713 HD12 ILE 88 1HD1 ILE 88 6.650 -0.782 2.333 714 HD13 ILE 88 2HD1 ILE 88 8.382 -0.438 2.302 715 H ARG 89 H ARG 89 9.200 4.025 3.338 716 HA ARG 89 HA ARG 89 9.615 5.223 0.652 717 HB2 ARG 89 2HB ARG 89 11.460 5.660 3.035 718 HB3 ARG 89 3HB ARG 89 11.345 6.602 1.559 719 HG2 ARG 89 2HG ARG 89 9.433 6.602 3.906 720 HG3 ARG 89 3HG ARG 89 10.471 7.916 3.365 721 HD2 ARG 89 2HD ARG 89 9.101 8.012 1.238 722 HD3 ARG 89 3HD ARG 89 7.999 6.835 1.959 723 HE ARG 89 HE ARG 89 8.050 9.621 2.420 724 HH11 ARG 89 1HH1 ARG 89 7.437 6.637 4.239 725 HH12 ARG 89 2HH1 ARG 89 6.565 7.462 5.488 726 HH21 ARG 89 1HH2 ARG 89 6.917 10.646 4.047 727 HH22 ARG 89 2HH2 ARG 89 6.283 9.748 5.386 728 H GLU 90 H GLU 90 10.103 3.267 -0.436 729 HA GLU 90 HA GLU 90 12.644 1.909 0.353 730 HB2 GLU 90 2HB GLU 90 10.598 1.065 -1.753 731 HB3 GLU 90 3HB GLU 90 12.031 0.152 -1.285 732 HG2 GLU 90 2HG GLU 90 9.591 0.724 0.405 733 HG3 GLU 90 3HG GLU 90 10.061 -0.826 -0.285 734 H LEU 91 H LEU 91 10.948 2.856 -2.614 735 HA LEU 91 HA LEU 91 13.455 3.800 -3.831 736 HB2 LEU 91 2HB LEU 91 10.701 3.417 -5.085 737 HB3 LEU 91 3HB LEU 91 12.193 3.798 -5.938 738 HG LEU 91 HG LEU 91 11.593 1.184 -4.488 739 HD11 LEU 91 1HD1 LEU 91 11.832 1.715 -7.463 740 HD12 LEU 91 2HD1 LEU 91 10.334 1.400 -6.585 741 HD13 LEU 91 3HD1 LEU 91 11.567 0.145 -6.695 742 HD21 LEU 91 3HD2 LEU 91 13.983 1.723 -4.325 743 HD22 LEU 91 1HD2 LEU 91 14.059 1.971 -6.075 744 HD23 LEU 91 2HD2 LEU 91 13.718 0.369 -5.419 745 H GLU 92 H GLU 92 13.855 5.963 -3.839 746 HA GLU 92 HA GLU 92 11.899 7.841 -2.867 747 HB2 GLU 92 2HB GLU 92 13.640 9.584 -3.354 748 HB3 GLU 92 3HB GLU 92 14.186 8.279 -2.313 749 HG2 GLU 92 2HG GLU 92 15.515 7.293 -4.058 750 HG3 GLU 92 3HG GLU 92 14.803 8.344 -5.283 751 H HIS 93 H HIS 93 10.166 8.080 -4.140 752 HA HIS 93 HA HIS 93 10.133 8.092 -6.980 753 HB2 HIS 93 2HB HIS 93 8.105 8.981 -4.898 754 HB3 HIS 93 3HB HIS 93 7.788 9.170 -6.623 755 HD1 HIS 93 HD1 HIS 93 6.325 7.342 -7.404 756 HD2 HIS 93 HD2 HIS 93 9.004 5.976 -4.546 757 HE1 HIS 93 HE1 HIS 93 5.907 4.888 -7.189 758 HE2 HIS 93 HE2 HIS 93 7.722 4.059 -5.670 759 H HIS 94 H HIS 94 10.026 9.789 -8.444 760 HA HIS 94 HA HIS 94 11.039 12.390 -7.439 761 HB2 HIS 94 2HB HIS 94 11.679 10.989 -10.075 762 HB3 HIS 94 3HB HIS 94 12.287 12.568 -9.592 763 HD1 HIS 94 HD1 HIS 94 13.478 9.294 -9.835 764 HD2 HIS 94 HD2 HIS 94 13.675 12.132 -6.808 765 HE1 HIS 94 HE1 HIS 94 15.406 8.619 -8.393 766 HE2 HIS 94 HE2 HIS 94 15.527 10.358 -6.587 767 H HIS 95 H HIS 95 9.053 13.457 -7.336 768 HA HIS 95 HA HIS 95 8.055 14.328 -9.978 769 HB2 HIS 95 2HB HIS 95 5.797 14.442 -9.296 770 HB3 HIS 95 3HB HIS 95 6.343 12.905 -8.648 771 HD1 HIS 95 HD1 HIS 95 5.405 16.397 -7.541 772 HD2 HIS 95 HD2 HIS 95 6.071 12.660 -5.879 773 HE1 HIS 95 HE1 HIS 95 4.592 16.557 -5.177 774 HE2 HIS 95 HE2 HIS 95 4.779 14.224 -4.292 775 H HIS 96 H HIS 96 9.594 15.139 -7.102 776 HA HIS 96 HA HIS 96 8.895 17.906 -6.837 777 HB2 HIS 96 2HB HIS 96 11.524 16.552 -6.060 778 HB3 HIS 96 3HB HIS 96 10.956 18.110 -5.475 779 HD1 HIS 96 HD1 HIS 96 11.619 15.337 -3.884 780 HD2 HIS 96 HD2 HIS 96 7.914 17.093 -4.547 781 HE1 HIS 96 HE1 HIS 96 10.128 14.453 -2.087 782 HE2 HIS 96 HE2 HIS 96 7.953 15.681 -2.391 783 H HIS 97 H HIS 97 10.936 16.086 -8.935 784 HA HIS 97 HA HIS 97 12.729 18.007 -9.920 785 HB2 HIS 97 2HB HIS 97 12.991 15.557 -10.200 786 HB3 HIS 97 3HB HIS 97 11.587 15.510 -11.250 787 HD1 HIS 97 HD1 HIS 97 15.230 16.147 -11.230 788 HD2 HIS 97 HD2 HIS 97 12.069 16.575 -13.894 789 HE1 HIS 97 HE1 HIS 97 16.277 16.407 -13.493 790 HE2 HIS 97 HE2 HIS 97 14.353 16.510 -15.094 791 H HIS 98 H HIS 98 9.521 16.952 -11.078 792 HA HIS 98 HA HIS 98 9.036 19.480 -12.415 793 HB2 HIS 98 2HB HIS 98 10.327 18.182 -14.129 794 HB3 HIS 98 3HB HIS 98 9.132 16.894 -14.052 795 HD1 HIS 98 HD1 HIS 98 7.604 17.001 -15.992 796 HD2 HIS 98 HD2 HIS 98 8.852 20.793 -14.857 797 HE1 HIS 98 HE1 HIS 98 6.534 18.583 -17.619 798 HE2 HIS 98 HE2 HIS 98 7.507 20.826 -17.054
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