NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
504393 | 2elm | 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 H GLY 1 -17.397 -12.821 -6.075 2 HA2 GLY 1 1HA GLY 1 -14.780 -12.692 -7.432 3 HA3 GLY 1 2HA GLY 1 -16.283 -13.179 -8.202 4 H SER 2 H SER 2 -16.145 -11.661 -9.843 5 HA SER 2 HA SER 2 -15.471 -9.054 -9.836 6 HB2 SER 2 1HB SER 2 -16.513 -10.505 -11.726 7 HB3 SER 2 2HB SER 2 -18.047 -9.832 -11.176 8 HG SER 2 HG SER 2 -17.066 -8.592 -12.854 9 H SER 3 H SER 3 -15.924 -7.460 -8.483 10 HA SER 3 HA SER 3 -18.660 -6.751 -7.910 11 HB2 SER 3 1HB SER 3 -18.328 -6.763 -5.432 12 HB3 SER 3 2HB SER 3 -18.334 -8.376 -6.145 13 HG SER 3 HG SER 3 -16.082 -8.393 -6.014 14 H GLY 4 H GLY 4 -18.572 -4.830 -6.194 15 HA2 GLY 4 1HA GLY 4 -16.854 -2.852 -7.414 16 HA3 GLY 4 2HA GLY 4 -18.087 -2.559 -6.197 17 H SER 5 H SER 5 -15.084 -4.480 -6.326 18 HA SER 5 HA SER 5 -13.291 -4.584 -4.930 19 HB2 SER 5 1HB SER 5 -13.457 -2.012 -5.509 20 HB3 SER 5 2HB SER 5 -13.894 -1.878 -3.806 21 HG SER 5 HG SER 5 -11.670 -3.432 -4.435 22 H SER 6 H SER 6 -15.672 -5.696 -4.000 23 HA SER 6 HA SER 6 -15.783 -4.981 -1.159 24 HB2 SER 6 1HB SER 6 -17.844 -6.266 -1.070 25 HB3 SER 6 2HB SER 6 -17.921 -5.139 -2.424 26 HG SER 6 HG SER 6 -18.624 -7.221 -3.030 27 H GLY 7 H GLY 7 -15.405 -7.819 -3.270 28 HA2 GLY 7 1HA GLY 7 -14.199 -9.239 -0.976 29 HA3 GLY 7 2HA GLY 7 -15.049 -10.036 -2.292 30 H HIS 8 H HIS 8 -12.287 -7.836 -1.801 31 HA HIS 8 HA HIS 8 -10.522 -9.618 -3.195 32 HB2 HIS 8 1HB HIS 8 -11.872 -8.191 -4.946 33 HB3 HIS 8 2HB HIS 8 -10.742 -6.923 -4.480 34 HD1 HIS 8 HD1 HIS 8 -11.091 -9.057 -7.123 35 HD2 HIS 8 HD2 HIS 8 -7.941 -8.439 -4.485 36 HE1 HIS 8 HE1 HIS 8 -9.040 -9.889 -8.317 37 H LEU 9 H LEU 9 -8.505 -9.375 -2.447 38 HA LEU 9 HA LEU 9 -7.936 -6.985 -0.831 39 HB2 LEU 9 1HB LEU 9 -6.889 -9.799 -0.721 40 HB3 LEU 9 2HB LEU 9 -6.098 -8.468 0.122 41 HG LEU 9 HG LEU 9 -8.409 -8.109 1.230 42 HD11 LEU 9 1HD1 LEU 9 -9.788 -9.521 -0.065 43 HD12 LEU 9 2HD1 LEU 9 -9.603 -10.318 1.497 44 HD13 LEU 9 3HD1 LEU 9 -8.681 -10.883 0.104 45 HD21 LEU 9 3HD2 LEU 9 -6.229 -9.062 2.201 46 HD22 LEU 9 1HD2 LEU 9 -7.008 -10.635 2.030 47 HD23 LEU 9 2HD2 LEU 9 -7.737 -9.396 3.052 48 H TYR 10 H TYR 10 -6.292 -5.665 -1.343 49 HA TYR 10 HA TYR 10 -4.735 -6.321 -3.739 50 HB2 TYR 10 1HB TYR 10 -5.470 -3.738 -2.389 51 HB3 TYR 10 2HB TYR 10 -4.133 -3.806 -3.532 52 HD1 TYR 10 HD1 TYR 10 -7.706 -4.890 -3.298 53 HD2 TYR 10 HD2 TYR 10 -4.595 -3.316 -5.736 54 HE1 TYR 10 HE1 TYR 10 -9.295 -4.651 -5.160 55 HE2 TYR 10 HE2 TYR 10 -6.175 -3.072 -7.605 56 HH TYR 10 HH TYR 10 -8.237 -3.728 -8.370 57 H TYR 11 H TYR 11 -2.539 -6.410 -3.749 58 HA TYR 11 HA TYR 11 -1.242 -6.527 -1.136 59 HB2 TYR 11 1HB TYR 11 -0.238 -7.369 -3.863 60 HB3 TYR 11 2HB TYR 11 0.606 -7.626 -2.341 61 HD1 TYR 11 HD1 TYR 11 -2.747 -8.311 -3.852 62 HD2 TYR 11 HD2 TYR 11 0.411 -9.704 -1.365 63 HE1 TYR 11 HE1 TYR 11 -3.923 -10.452 -3.570 64 HE2 TYR 11 HE2 TYR 11 -0.756 -11.850 -1.076 65 HH TYR 11 HH TYR 11 -3.330 -12.818 -3.004 66 H CYS 12 H CYS 12 0.647 -5.393 -0.637 67 HA CYS 12 HA CYS 12 0.791 -2.758 -1.692 68 HB2 CYS 12 1HB CYS 12 1.326 -3.200 0.642 69 HB3 CYS 12 2HB CYS 12 2.661 -4.243 0.164 70 H SER 13 H SER 13 2.472 -1.761 -2.843 71 HA SER 13 HA SER 13 3.655 -3.411 -4.862 72 HB2 SER 13 1HB SER 13 3.730 -0.463 -4.256 73 HB3 SER 13 2HB SER 13 4.744 -1.161 -5.518 74 HG SER 13 HG SER 13 2.744 -2.043 -6.395 75 H GLN 14 H GLN 14 4.940 -1.424 -2.210 76 HA GLN 14 HA GLN 14 7.655 -2.090 -2.678 77 HB2 GLN 14 1HB GLN 14 6.542 -0.169 -1.251 78 HB3 GLN 14 2HB GLN 14 6.687 -1.345 0.049 79 HG2 GLN 14 1HG GLN 14 8.600 0.049 0.130 80 HG3 GLN 14 2HG GLN 14 9.117 -1.520 -0.486 81 HE21 GLN 14 1HE2 GLN 14 7.826 1.532 -1.765 82 HE22 GLN 14 2HE2 GLN 14 8.941 1.648 -3.080 83 H CYS 15 H CYS 15 5.509 -3.099 -0.008 84 HA CYS 15 HA CYS 15 7.162 -5.511 0.295 85 HB2 CYS 15 1HB CYS 15 6.299 -5.666 2.557 86 HB3 CYS 15 2HB CYS 15 6.940 -4.049 2.287 87 H HIS 16 H HIS 16 5.763 -7.381 1.305 88 HA HIS 16 HA HIS 16 3.617 -7.872 -0.615 89 HB2 HIS 16 1HB HIS 16 4.833 -9.839 1.327 90 HB3 HIS 16 2HB HIS 16 3.870 -10.199 -0.102 91 HD1 HIS 16 HD1 HIS 16 7.318 -9.265 0.974 92 HD2 HIS 16 HD2 HIS 16 5.257 -10.082 -2.540 93 HE1 HIS 16 HE1 HIS 16 9.086 -9.545 -0.792 94 H TYR 17 H TYR 17 2.862 -6.048 1.263 95 HA TYR 17 HA TYR 17 1.275 -7.534 3.235 96 HB2 TYR 17 1HB TYR 17 2.548 -5.788 4.252 97 HB3 TYR 17 2HB TYR 17 2.046 -4.622 3.032 98 HD1 TYR 17 HD1 TYR 17 1.059 -6.413 6.070 99 HD2 TYR 17 HD2 TYR 17 -0.151 -3.588 3.127 100 HE1 TYR 17 HE1 TYR 17 -0.807 -5.718 7.513 101 HE2 TYR 17 HE2 TYR 17 -2.020 -2.885 4.562 102 HH TYR 17 HH TYR 17 -2.230 -3.392 7.689 103 H SER 18 H SER 18 -0.645 -8.128 2.465 104 HA SER 18 HA SER 18 -2.140 -6.219 0.793 105 HB2 SER 18 1HB SER 18 -3.220 -8.038 -0.266 106 HB3 SER 18 2HB SER 18 -1.531 -8.531 -0.141 107 HG SER 18 HG SER 18 -2.693 -10.241 0.588 108 H SER 19 H SER 19 -4.091 -5.505 1.438 109 HA SER 19 HA SER 19 -5.438 -6.823 3.675 110 HB2 SER 19 1HB SER 19 -4.143 -5.148 4.808 111 HB3 SER 19 2HB SER 19 -4.605 -3.916 3.633 112 HG SER 19 HG SER 19 -6.792 -4.224 4.384 113 H ILE 20 H ILE 20 -7.657 -6.534 3.728 114 HA ILE 20 HA ILE 20 -8.951 -6.085 1.282 115 HB ILE 20 HB ILE 20 -9.829 -7.435 3.232 116 HG12 ILE 20 1HG1 ILE 20 -12.240 -6.671 2.808 117 HG13 ILE 20 2HG1 ILE 20 -11.543 -5.427 1.776 118 HG21 ILE 20 1HG2 ILE 20 -9.548 -5.923 5.041 119 HG22 ILE 20 2HG2 ILE 20 -10.493 -4.676 4.230 120 HG23 ILE 20 3HG2 ILE 20 -11.284 -6.138 4.819 121 HD11 ILE 20 3HD1 ILE 20 -11.571 -8.390 1.404 122 HD12 ILE 20 1HD1 ILE 20 -12.084 -7.118 0.296 123 HD13 ILE 20 2HD1 ILE 20 -10.367 -7.388 0.594 124 H THR 21 H THR 21 -10.389 -4.432 0.626 125 HA THR 21 HA THR 21 -11.177 -2.300 0.398 126 HB THR 21 HB THR 21 -10.019 -1.531 3.062 127 HG1 THR 21 HG1 THR 21 -12.315 -2.268 3.709 128 HG21 THR 21 3HG2 THR 21 -12.328 -0.648 1.358 129 HG22 THR 21 1HG2 THR 21 -11.002 0.314 2.009 130 HG23 THR 21 2HG2 THR 21 -12.270 -0.279 3.081 131 H LYS 22 H LYS 22 -8.955 -2.800 -0.926 132 HA LYS 22 HA LYS 22 -6.576 -1.611 -0.503 133 HB2 LYS 22 1HB LYS 22 -6.311 -1.372 -2.869 134 HB3 LYS 22 2HB LYS 22 -7.293 -2.804 -2.589 135 HG2 LYS 22 1HG LYS 22 -8.484 -1.855 -4.272 136 HG3 LYS 22 2HG LYS 22 -9.267 -1.076 -2.894 137 HD2 LYS 22 1HD LYS 22 -8.039 0.925 -3.212 138 HD3 LYS 22 2HD LYS 22 -6.933 0.149 -4.348 139 HE2 LYS 22 1HE LYS 22 -8.305 1.263 -5.804 140 HE3 LYS 22 2HE LYS 22 -9.144 -0.284 -5.701 141 HZ1 LYS 22 3HZ LYS 22 -10.507 1.845 -5.455 142 HZ2 LYS 22 1HZ LYS 22 -9.846 1.947 -3.900 143 HZ3 LYS 22 2HZ LYS 22 -10.778 0.605 -4.337 144 H ASN 23 H ASN 23 -9.591 0.035 -1.200 145 HA ASN 23 HA ASN 23 -8.858 2.540 -1.928 146 HB2 ASN 23 1HB ASN 23 -11.191 1.519 -1.221 147 HB3 ASN 23 2HB ASN 23 -10.833 2.321 0.306 148 HD21 ASN 23 1HD2 ASN 23 -12.673 2.727 -2.172 149 HD22 ASN 23 2HD2 ASN 23 -12.563 4.429 -2.443 150 H CYS 24 H CYS 24 -8.853 1.293 1.399 151 HA CYS 24 HA CYS 24 -7.710 3.723 2.444 152 HB2 CYS 24 1HB CYS 24 -9.290 2.151 3.690 153 HB3 CYS 24 2HB CYS 24 -7.909 1.077 3.877 154 HG CYS 24 HG CYS 24 -8.783 3.607 5.732 155 H LEU 25 H LEU 25 -6.588 0.478 1.646 156 HA LEU 25 HA LEU 25 -4.137 0.308 2.761 157 HB2 LEU 25 1HB LEU 25 -4.819 -1.458 1.381 158 HB3 LEU 25 2HB LEU 25 -5.043 -0.397 -0.009 159 HG LEU 25 HG LEU 25 -2.530 -0.105 -0.029 160 HD11 LEU 25 1HD1 LEU 25 -2.837 -1.975 2.224 161 HD12 LEU 25 2HD1 LEU 25 -1.565 -0.803 1.880 162 HD13 LEU 25 3HD1 LEU 25 -1.565 -2.367 1.066 163 HD21 LEU 25 3HD2 LEU 25 -3.832 -1.594 -1.556 164 HD22 LEU 25 1HD2 LEU 25 -3.500 -2.927 -0.449 165 HD23 LEU 25 2HD2 LEU 25 -2.169 -2.112 -1.273 166 H LYS 26 H LYS 26 -4.945 2.229 -0.103 167 HA LYS 26 HA LYS 26 -2.603 3.098 -1.062 168 HB2 LYS 26 1HB LYS 26 -3.625 5.236 -1.580 169 HB3 LYS 26 2HB LYS 26 -4.808 3.950 -1.785 170 HG2 LYS 26 1HG LYS 26 -6.083 5.457 -0.667 171 HG3 LYS 26 2HG LYS 26 -5.404 4.584 0.709 172 HD2 LYS 26 1HD LYS 26 -4.998 6.746 1.354 173 HD3 LYS 26 2HD LYS 26 -3.501 6.391 0.489 174 HE2 LYS 26 1HE LYS 26 -4.791 7.322 -1.570 175 HE3 LYS 26 2HE LYS 26 -5.833 8.063 -0.356 176 HZ1 LYS 26 3HZ LYS 26 -3.740 9.001 0.632 177 HZ2 LYS 26 1HZ LYS 26 -4.182 9.637 -0.872 178 HZ3 LYS 26 2HZ LYS 26 -2.933 8.501 -0.768 179 H ARG 27 H ARG 27 -4.026 4.179 1.990 180 HA ARG 27 HA ARG 27 -2.162 6.168 2.621 181 HB2 ARG 27 1HB ARG 27 -4.283 5.872 3.824 182 HB3 ARG 27 2HB ARG 27 -3.694 4.358 4.497 183 HG2 ARG 27 1HG ARG 27 -1.974 5.529 5.725 184 HG3 ARG 27 2HG ARG 27 -2.456 7.058 4.987 185 HD2 ARG 27 1HD ARG 27 -4.341 5.372 6.616 186 HD3 ARG 27 2HD ARG 27 -3.309 6.608 7.334 187 HE ARG 27 HE ARG 27 -4.924 7.542 5.139 188 HH11 ARG 27 1HH1 ARG 27 -4.755 7.017 8.576 189 HH12 ARG 27 2HH1 ARG 27 -5.968 8.196 8.948 190 HH21 ARG 27 1HH2 ARG 27 -6.523 9.098 5.615 191 HH22 ARG 27 2HH2 ARG 27 -6.974 9.379 7.263 192 H HIS 28 H HIS 28 -2.253 2.781 3.743 193 HA HIS 28 HA HIS 28 -0.069 2.554 5.266 194 HB2 HIS 28 1HB HIS 28 -1.092 0.518 4.920 195 HB3 HIS 28 2HB HIS 28 -1.195 0.745 3.177 196 HD1 HIS 28 HD1 HIS 28 0.768 -0.915 5.755 197 HD2 HIS 28 HD2 HIS 28 1.367 0.321 1.834 198 HE1 HIS 28 HE1 HIS 28 2.804 -2.159 4.962 199 H VAL 29 H VAL 29 0.150 2.203 1.719 200 HA VAL 29 HA VAL 29 2.849 2.038 1.402 201 HB VAL 29 HB VAL 29 0.969 3.637 -0.341 202 HG11 VAL 29 1HG1 VAL 29 3.508 3.974 -0.591 203 HG12 VAL 29 2HG1 VAL 29 3.512 2.336 -1.248 204 HG13 VAL 29 3HG1 VAL 29 2.567 3.601 -2.035 205 HG21 VAL 29 3HG2 VAL 29 0.076 1.500 -0.332 206 HG22 VAL 29 1HG2 VAL 29 1.172 1.442 -1.712 207 HG23 VAL 29 2HG2 VAL 29 1.654 0.730 -0.173 208 H ILE 30 H ILE 30 0.979 5.058 1.617 209 HA ILE 30 HA ILE 30 3.187 6.796 1.419 210 HB ILE 30 HB ILE 30 0.542 7.296 2.791 211 HG12 ILE 30 1HG1 ILE 30 1.204 8.285 0.052 212 HG13 ILE 30 2HG1 ILE 30 0.737 6.598 0.240 213 HG21 ILE 30 1HG2 ILE 30 1.138 9.699 2.098 214 HG22 ILE 30 2HG2 ILE 30 1.949 9.010 3.503 215 HG23 ILE 30 3HG2 ILE 30 2.788 9.095 1.955 216 HD11 ILE 30 3HD1 ILE 30 -1.100 8.225 -0.335 217 HD12 ILE 30 1HD1 ILE 30 -1.391 7.177 1.053 218 HD13 ILE 30 2HD1 ILE 30 -0.923 8.859 1.301 219 H GLN 31 H GLN 31 1.550 5.354 4.204 220 HA GLN 31 HA GLN 31 3.102 6.746 6.150 221 HB2 GLN 31 1HB GLN 31 0.794 5.597 6.413 222 HB3 GLN 31 2HB GLN 31 1.725 4.126 6.660 223 HG2 GLN 31 1HG GLN 31 2.034 6.637 8.288 224 HG3 GLN 31 2HG GLN 31 1.058 5.246 8.757 225 HE21 GLN 31 1HE2 GLN 31 3.863 6.692 9.356 226 HE22 GLN 31 2HE2 GLN 31 4.846 5.334 9.774 227 H LYS 32 H LYS 32 2.994 3.236 5.548 228 HA LYS 32 HA LYS 32 5.408 2.648 6.807 229 HB2 LYS 32 1HB LYS 32 3.915 1.211 4.613 230 HB3 LYS 32 2HB LYS 32 5.350 0.547 5.384 231 HG2 LYS 32 1HG LYS 32 3.025 1.410 7.047 232 HG3 LYS 32 2HG LYS 32 3.002 -0.150 6.222 233 HD2 LYS 32 1HD LYS 32 5.305 -0.523 7.304 234 HD3 LYS 32 2HD LYS 32 4.871 0.824 8.360 235 HE2 LYS 32 1HE LYS 32 2.965 -0.346 9.189 236 HE3 LYS 32 2HE LYS 32 3.142 -1.613 7.976 237 HZ1 LYS 32 3HZ LYS 32 5.425 -1.181 9.723 238 HZ2 LYS 32 1HZ LYS 32 4.765 -2.625 9.139 239 HZ3 LYS 32 2HZ LYS 32 4.049 -1.839 10.454 240 H HIS 33 H HIS 33 4.735 3.493 3.447 241 HA HIS 33 HA HIS 33 7.641 3.712 3.001 242 HB2 HIS 33 1HB HIS 33 5.640 3.196 0.809 243 HB3 HIS 33 2HB HIS 33 7.389 3.001 0.758 244 HD1 HIS 33 HD1 HIS 33 8.195 1.081 2.690 245 HD2 HIS 33 HD2 HIS 33 4.403 0.814 1.013 246 HE1 HIS 33 HE1 HIS 33 7.467 -1.299 3.050 247 H SER 34 H SER 34 7.294 5.907 3.868 248 HA SER 34 HA SER 34 5.776 7.760 2.255 249 HB2 SER 34 1HB SER 34 6.501 9.447 3.850 250 HB3 SER 34 2HB SER 34 5.962 8.012 4.723 251 HG SER 34 HG SER 34 8.626 8.832 4.209 252 H ASN 35 H ASN 35 6.716 7.780 0.230 253 HA ASN 35 HA ASN 35 9.555 8.388 -0.008 254 HB2 ASN 35 1HB ASN 35 9.322 7.913 -2.339 255 HB3 ASN 35 2HB ASN 35 8.407 6.681 -1.474 256 HD21 ASN 35 1HD2 ASN 35 8.343 8.689 -4.045 257 HD22 ASN 35 2HD2 ASN 35 6.636 8.828 -4.272 258 H ILE 36 H ILE 36 10.361 10.211 -1.103 259 HA ILE 36 HA ILE 36 8.461 12.459 -1.278 260 HB ILE 36 HB ILE 36 10.531 13.899 -0.856 261 HG12 ILE 36 1HG1 ILE 36 11.603 11.405 0.448 262 HG13 ILE 36 2HG1 ILE 36 12.055 11.849 -1.194 263 HG21 ILE 36 1HG2 ILE 36 9.787 14.128 1.243 264 HG22 ILE 36 2HG2 ILE 36 8.623 12.878 0.808 265 HG23 ILE 36 3HG2 ILE 36 10.113 12.442 1.643 266 HD11 ILE 36 3HD1 ILE 36 12.563 13.404 1.326 267 HD12 ILE 36 1HD1 ILE 36 13.749 12.627 0.278 268 HD13 ILE 36 2HD1 ILE 36 12.852 14.033 -0.296 269 H LEU 37 H LEU 37 8.687 13.920 -2.975 270 HA LEU 37 HA LEU 37 10.642 13.247 -5.059 271 HB2 LEU 37 1HB LEU 37 8.769 12.192 -5.931 272 HB3 LEU 37 2HB LEU 37 7.668 13.420 -5.311 273 HG LEU 37 HG LEU 37 8.589 14.993 -7.027 274 HD11 LEU 37 1HD1 LEU 37 10.588 13.141 -7.285 275 HD12 LEU 37 2HD1 LEU 37 10.240 14.441 -8.426 276 HD13 LEU 37 3HD1 LEU 37 9.590 12.825 -8.705 277 HD21 LEU 37 3HD2 LEU 37 7.562 12.681 -8.558 278 HD22 LEU 37 1HD2 LEU 37 7.010 14.355 -8.519 279 HD23 LEU 37 2HD2 LEU 37 6.568 13.251 -7.216 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -5.853 -21.970 -9.501 2 HA2 GLY 1 1HA GLY 1 -4.749 -20.751 -7.059 3 HA3 GLY 1 2HA GLY 1 -5.570 -19.882 -8.347 4 H SER 2 H SER 2 -5.928 -21.678 -5.423 5 HA SER 2 HA SER 2 -8.555 -22.387 -5.326 6 HB2 SER 2 1HB SER 2 -6.713 -21.266 -3.240 7 HB3 SER 2 2HB SER 2 -8.400 -21.584 -2.838 8 HG SER 2 HG SER 2 -6.713 -23.518 -4.033 9 H SER 3 H SER 3 -7.280 -19.157 -4.533 10 HA SER 3 HA SER 3 -8.251 -17.101 -4.498 11 HB2 SER 3 1HB SER 3 -10.323 -18.292 -6.352 12 HB3 SER 3 2HB SER 3 -9.890 -16.590 -6.190 13 HG SER 3 HG SER 3 -8.868 -18.287 -7.867 14 H GLY 4 H GLY 4 -8.876 -18.695 -2.354 15 HA2 GLY 4 1HA GLY 4 -11.764 -18.365 -1.925 16 HA3 GLY 4 2HA GLY 4 -10.687 -19.352 -0.947 17 H SER 5 H SER 5 -11.393 -15.982 -1.808 18 HA SER 5 HA SER 5 -10.914 -15.241 0.981 19 HB2 SER 5 1HB SER 5 -9.533 -13.341 0.386 20 HB3 SER 5 2HB SER 5 -8.811 -14.800 -0.292 21 HG SER 5 HG SER 5 -10.094 -12.675 -1.583 22 H SER 6 H SER 6 -11.854 -13.177 1.567 23 HA SER 6 HA SER 6 -14.335 -12.718 0.132 24 HB2 SER 6 1HB SER 6 -14.448 -12.905 2.556 25 HB3 SER 6 2HB SER 6 -13.293 -11.586 2.740 26 HG SER 6 HG SER 6 -15.654 -11.154 1.288 27 H GLY 7 H GLY 7 -14.073 -11.485 -1.644 28 HA2 GLY 7 1HA GLY 7 -14.075 -9.298 -2.562 29 HA3 GLY 7 2HA GLY 7 -13.064 -8.765 -1.227 30 H HIS 8 H HIS 8 -12.240 -7.871 -3.534 31 HA HIS 8 HA HIS 8 -10.320 -9.733 -4.700 32 HB2 HIS 8 1HB HIS 8 -11.173 -6.939 -5.470 33 HB3 HIS 8 2HB HIS 8 -9.893 -7.822 -6.295 34 HD1 HIS 8 HD1 HIS 8 -13.446 -7.240 -6.401 35 HD2 HIS 8 HD2 HIS 8 -10.916 -10.367 -7.439 36 HE1 HIS 8 HE1 HIS 8 -14.778 -8.692 -7.963 37 H LEU 9 H LEU 9 -9.593 -9.312 -2.168 38 HA LEU 9 HA LEU 9 -8.169 -7.240 -1.260 39 HB2 LEU 9 1HB LEU 9 -7.286 -10.120 -1.255 40 HB3 LEU 9 2HB LEU 9 -6.553 -8.858 -0.266 41 HG LEU 9 HG LEU 9 -9.010 -8.555 0.611 42 HD11 LEU 9 1HD1 LEU 9 -10.473 -10.008 -0.209 43 HD12 LEU 9 2HD1 LEU 9 -9.596 -11.280 0.641 44 HD13 LEU 9 3HD1 LEU 9 -9.203 -10.910 -1.038 45 HD21 LEU 9 3HD2 LEU 9 -6.729 -9.743 1.562 46 HD22 LEU 9 1HD2 LEU 9 -7.932 -11.020 1.741 47 HD23 LEU 9 2HD2 LEU 9 -8.197 -9.446 2.493 48 H TYR 10 H TYR 10 -6.317 -6.149 -1.666 49 HA TYR 10 HA TYR 10 -4.867 -6.890 -4.113 50 HB2 TYR 10 1HB TYR 10 -5.360 -4.264 -2.739 51 HB3 TYR 10 2HB TYR 10 -4.027 -4.446 -3.875 52 HD1 TYR 10 HD1 TYR 10 -7.714 -4.767 -3.559 53 HD2 TYR 10 HD2 TYR 10 -4.401 -4.312 -6.189 54 HE1 TYR 10 HE1 TYR 10 -9.261 -4.358 -5.427 55 HE2 TYR 10 HE2 TYR 10 -5.939 -3.900 -8.064 56 HH TYR 10 HH TYR 10 -8.723 -4.700 -8.369 57 H TYR 11 H TYR 11 -2.517 -6.246 -4.122 58 HA TYR 11 HA TYR 11 -1.294 -6.834 -1.505 59 HB2 TYR 11 1HB TYR 11 0.006 -7.576 -4.109 60 HB3 TYR 11 2HB TYR 11 0.296 -8.233 -2.502 61 HD1 TYR 11 HD2 TYR 11 -2.291 -9.016 -1.538 62 HD2 TYR 11 HD1 TYR 11 -0.737 -9.269 -5.491 63 HE1 TYR 11 HE2 TYR 11 -3.829 -10.875 -2.017 64 HE2 TYR 11 HE1 TYR 11 -2.271 -11.128 -5.981 65 HH TYR 11 HH TYR 11 -3.622 -12.715 -4.978 66 H CYS 12 H CYS 12 -0.061 -5.259 -0.748 67 HA CYS 12 HA CYS 12 0.422 -2.837 -1.936 68 HB2 CYS 12 1HB CYS 12 0.783 -3.344 0.467 69 HB3 CYS 12 2HB CYS 12 2.252 -4.216 0.040 70 H SER 13 H SER 13 2.046 -1.911 -3.140 71 HA SER 13 HA SER 13 3.500 -3.691 -4.865 72 HB2 SER 13 1HB SER 13 2.558 -1.686 -5.829 73 HB3 SER 13 2HB SER 13 3.425 -0.671 -4.676 74 HG SER 13 HG SER 13 5.324 -1.145 -5.682 75 H GLN 14 H GLN 14 4.475 -1.082 -2.638 76 HA GLN 14 HA GLN 14 7.221 -1.454 -2.801 77 HB2 GLN 14 1HB GLN 14 5.479 -0.443 -0.559 78 HB3 GLN 14 2HB GLN 14 7.234 -0.460 -0.449 79 HG2 GLN 14 1HG GLN 14 5.985 0.826 -2.816 80 HG3 GLN 14 2HG GLN 14 5.915 1.664 -1.267 81 HE21 GLN 14 1HE2 GLN 14 7.349 3.253 -1.480 82 HE22 GLN 14 2HE2 GLN 14 9.009 3.049 -1.911 83 H CYS 15 H CYS 15 4.981 -2.794 -0.373 84 HA CYS 15 HA CYS 15 6.986 -4.886 0.173 85 HB2 CYS 15 1HB CYS 15 6.240 -4.984 2.443 86 HB3 CYS 15 2HB CYS 15 6.516 -3.287 2.064 87 H HIS 16 H HIS 16 5.739 -6.807 1.369 88 HA HIS 16 HA HIS 16 3.662 -7.639 -0.526 89 HB2 HIS 16 1HB HIS 16 5.635 -9.097 -0.318 90 HB3 HIS 16 2HB HIS 16 5.306 -9.294 1.401 91 HD1 HIS 16 HD1 HIS 16 3.629 -10.020 -1.930 92 HD2 HIS 16 HD2 HIS 16 3.717 -11.415 1.982 93 HE1 HIS 16 HE1 HIS 16 2.216 -12.101 -1.926 94 H TYR 17 H TYR 17 2.588 -5.901 1.149 95 HA TYR 17 HA TYR 17 1.275 -7.483 3.256 96 HB2 TYR 17 1HB TYR 17 2.362 -5.592 4.222 97 HB3 TYR 17 2HB TYR 17 1.733 -4.512 2.984 98 HD1 TYR 17 HD1 TYR 17 0.835 -6.500 5.963 99 HD2 TYR 17 HD2 TYR 17 -0.431 -3.536 3.187 100 HE1 TYR 17 HE1 TYR 17 -1.082 -5.971 7.411 101 HE2 TYR 17 HE2 TYR 17 -2.350 -2.997 4.627 102 HH TYR 17 HH TYR 17 -2.930 -4.767 7.653 103 H SER 18 H SER 18 -0.718 -8.130 2.835 104 HA SER 18 HA SER 18 -2.305 -6.637 0.858 105 HB2 SER 18 1HB SER 18 -3.420 -8.640 0.309 106 HB3 SER 18 2HB SER 18 -1.737 -9.125 0.513 107 HG SER 18 HG SER 18 -2.410 -9.614 2.764 108 H SER 19 H SER 19 -4.172 -5.698 1.424 109 HA SER 19 HA SER 19 -5.474 -6.455 3.930 110 HB2 SER 19 1HB SER 19 -3.844 -4.515 4.302 111 HB3 SER 19 2HB SER 19 -4.940 -3.549 3.315 112 HG SER 19 HG SER 19 -5.455 -3.343 5.511 113 H ILE 20 H ILE 20 -7.660 -6.273 3.889 114 HA ILE 20 HA ILE 20 -8.970 -6.061 1.407 115 HB ILE 20 HB ILE 20 -10.199 -5.839 4.157 116 HG12 ILE 20 1HG1 ILE 20 -9.933 -8.311 2.442 117 HG13 ILE 20 2HG1 ILE 20 -8.782 -7.896 3.707 118 HG21 ILE 20 1HG2 ILE 20 -12.040 -5.375 2.978 119 HG22 ILE 20 2HG2 ILE 20 -11.294 -5.857 1.455 120 HG23 ILE 20 3HG2 ILE 20 -12.009 -7.075 2.510 121 HD11 ILE 20 3HD1 ILE 20 -10.942 -9.470 4.059 122 HD12 ILE 20 1HD1 ILE 20 -10.160 -8.551 5.345 123 HD13 ILE 20 2HD1 ILE 20 -11.592 -7.905 4.543 124 H THR 21 H THR 21 -10.291 -4.475 0.537 125 HA THR 21 HA THR 21 -11.143 -2.390 0.144 126 HB THR 21 HB THR 21 -10.241 -1.455 2.855 127 HG1 THR 21 HG1 THR 21 -12.372 -2.264 3.546 128 HG21 THR 21 3HG2 THR 21 -11.333 0.359 2.138 129 HG22 THR 21 1HG2 THR 21 -12.817 -0.579 2.296 130 HG23 THR 21 2HG2 THR 21 -11.986 -0.499 0.743 131 H LYS 22 H LYS 22 -8.819 -2.850 -0.985 132 HA LYS 22 HA LYS 22 -6.505 -1.612 -0.465 133 HB2 LYS 22 1HB LYS 22 -6.806 -2.755 -2.552 134 HB3 LYS 22 2HB LYS 22 -8.017 -1.593 -3.078 135 HG2 LYS 22 1HG LYS 22 -6.011 0.098 -2.760 136 HG3 LYS 22 2HG LYS 22 -5.061 -1.365 -3.025 137 HD2 LYS 22 1HD LYS 22 -6.381 -1.762 -5.103 138 HD3 LYS 22 2HD LYS 22 -7.152 -0.194 -4.857 139 HE2 LYS 22 1HE LYS 22 -5.434 0.317 -6.322 140 HE3 LYS 22 2HE LYS 22 -4.725 0.706 -4.755 141 HZ1 LYS 22 3HZ LYS 22 -3.330 -0.646 -6.370 142 HZ2 LYS 22 1HZ LYS 22 -4.350 -1.946 -6.006 143 HZ3 LYS 22 2HZ LYS 22 -3.436 -1.220 -4.782 144 H ASN 23 H ASN 23 -9.516 -0.001 -1.187 145 HA ASN 23 HA ASN 23 -8.829 2.514 -1.915 146 HB2 ASN 23 1HB ASN 23 -11.148 1.570 -1.331 147 HB3 ASN 23 2HB ASN 23 -10.804 2.082 0.319 148 HD21 ASN 23 1HD2 ASN 23 -10.235 4.369 0.612 149 HD22 ASN 23 2HD2 ASN 23 -11.017 5.541 -0.388 150 H CYS 24 H CYS 24 -8.727 1.237 1.396 151 HA CYS 24 HA CYS 24 -7.628 3.691 2.442 152 HB2 CYS 24 1HB CYS 24 -9.157 2.088 3.706 153 HB3 CYS 24 2HB CYS 24 -7.759 1.031 3.858 154 HG CYS 24 HG CYS 24 -8.334 2.576 6.231 155 H LEU 25 H LEU 25 -6.455 0.481 1.588 156 HA LEU 25 HA LEU 25 -3.988 0.337 2.667 157 HB2 LEU 25 1HB LEU 25 -4.698 -1.404 1.245 158 HB3 LEU 25 2HB LEU 25 -4.875 -0.312 -0.128 159 HG LEU 25 HG LEU 25 -2.300 -0.037 0.089 160 HD11 LEU 25 1HD1 LEU 25 -2.421 -2.810 1.174 161 HD12 LEU 25 2HD1 LEU 25 -2.456 -1.444 2.287 162 HD13 LEU 25 3HD1 LEU 25 -1.093 -1.650 1.188 163 HD21 LEU 25 3HD2 LEU 25 -2.113 -2.350 -1.158 164 HD22 LEU 25 1HD2 LEU 25 -2.962 -0.984 -1.884 165 HD23 LEU 25 2HD2 LEU 25 -3.875 -2.269 -1.091 166 H LYS 26 H LYS 26 -4.959 2.454 0.036 167 HA LYS 26 HA LYS 26 -2.619 3.345 -1.007 168 HB2 LYS 26 1HB LYS 26 -4.760 4.211 -1.745 169 HB3 LYS 26 2HB LYS 26 -5.007 5.015 -0.200 170 HG2 LYS 26 1HG LYS 26 -2.912 6.344 -0.720 171 HG3 LYS 26 2HG LYS 26 -3.038 5.702 -2.359 172 HD2 LYS 26 1HD LYS 26 -4.972 6.871 -2.811 173 HD3 LYS 26 2HD LYS 26 -5.427 6.983 -1.109 174 HE2 LYS 26 1HE LYS 26 -3.778 8.661 -0.705 175 HE3 LYS 26 2HE LYS 26 -3.067 8.426 -2.301 176 HZ1 LYS 26 3HZ LYS 26 -5.474 9.882 -1.536 177 HZ2 LYS 26 1HZ LYS 26 -5.528 9.045 -3.006 178 HZ3 LYS 26 2HZ LYS 26 -4.341 10.222 -2.746 179 H ARG 27 H ARG 27 -4.050 4.412 2.062 180 HA ARG 27 HA ARG 27 -2.133 6.344 2.715 181 HB2 ARG 27 1HB ARG 27 -4.429 5.647 3.839 182 HB3 ARG 27 2HB ARG 27 -3.371 4.698 4.874 183 HG2 ARG 27 1HG ARG 27 -3.067 7.656 4.417 184 HG3 ARG 27 2HG ARG 27 -3.949 6.943 5.769 185 HD2 ARG 27 1HD ARG 27 -1.992 5.973 6.662 186 HD3 ARG 27 2HD ARG 27 -1.083 6.260 5.179 187 HE ARG 27 HE ARG 27 -0.570 8.329 5.975 188 HH11 ARG 27 1HH1 ARG 27 -3.440 7.207 7.594 189 HH12 ARG 27 2HH1 ARG 27 -3.532 8.572 8.657 190 HH21 ARG 27 1HH2 ARG 27 -0.681 10.132 7.368 191 HH22 ARG 27 2HH2 ARG 27 -1.963 10.236 8.527 192 H HIS 28 H HIS 28 -2.372 3.006 3.960 193 HA HIS 28 HA HIS 28 -0.176 2.750 5.464 194 HB2 HIS 28 1HB HIS 28 -1.301 0.753 5.256 195 HB3 HIS 28 2HB HIS 28 -1.442 0.890 3.506 196 HD1 HIS 28 HD1 HIS 28 0.465 -0.776 6.103 197 HD2 HIS 28 HD2 HIS 28 1.097 0.308 2.142 198 HE1 HIS 28 HE1 HIS 28 2.422 -2.154 5.333 199 H VAL 29 H VAL 29 -0.152 2.712 1.918 200 HA VAL 29 HA VAL 29 2.569 2.207 1.540 201 HB VAL 29 HB VAL 29 0.647 3.790 -0.166 202 HG11 VAL 29 1HG1 VAL 29 3.515 3.437 -0.399 203 HG12 VAL 29 2HG1 VAL 29 2.652 2.815 -1.807 204 HG13 VAL 29 3HG1 VAL 29 2.430 4.491 -1.304 205 HG21 VAL 29 3HG2 VAL 29 -0.131 1.606 -0.150 206 HG22 VAL 29 1HG2 VAL 29 0.927 1.622 -1.562 207 HG23 VAL 29 2HG2 VAL 29 1.491 0.921 -0.045 208 H ILE 30 H ILE 30 0.845 5.296 1.853 209 HA ILE 30 HA ILE 30 3.078 6.965 1.484 210 HB ILE 30 HB ILE 30 0.593 7.529 3.106 211 HG12 ILE 30 1HG1 ILE 30 1.078 8.434 0.284 212 HG13 ILE 30 2HG1 ILE 30 0.418 6.833 0.600 213 HG21 ILE 30 1HG2 ILE 30 1.421 9.547 3.517 214 HG22 ILE 30 2HG2 ILE 30 2.951 9.021 2.817 215 HG23 ILE 30 3HG2 ILE 30 1.742 9.808 1.802 216 HD11 ILE 30 3HD1 ILE 30 -0.789 9.510 1.159 217 HD12 ILE 30 1HD1 ILE 30 -1.454 8.154 0.249 218 HD13 ILE 30 2HD1 ILE 30 -1.338 8.065 2.007 219 H GLN 31 H GLN 31 1.700 5.475 4.372 220 HA GLN 31 HA GLN 31 3.496 6.805 6.171 221 HB2 GLN 31 1HB GLN 31 1.541 4.537 6.471 222 HB3 GLN 31 2HB GLN 31 2.609 5.011 7.786 223 HG2 GLN 31 1HG GLN 31 0.492 6.682 6.459 224 HG3 GLN 31 2HG GLN 31 0.499 6.066 8.111 225 HE21 GLN 31 1HE2 GLN 31 1.793 7.050 9.652 226 HE22 GLN 31 2HE2 GLN 31 2.505 8.605 9.406 227 H LYS 32 H LYS 32 3.089 3.314 5.574 228 HA LYS 32 HA LYS 32 5.548 2.534 6.608 229 HB2 LYS 32 1HB LYS 32 3.639 1.299 4.659 230 HB3 LYS 32 2HB LYS 32 5.198 0.537 4.945 231 HG2 LYS 32 1HG LYS 32 3.406 1.253 7.231 232 HG3 LYS 32 2HG LYS 32 3.160 -0.235 6.313 233 HD2 LYS 32 1HD LYS 32 5.858 0.462 7.418 234 HD3 LYS 32 2HD LYS 32 4.636 -0.307 8.434 235 HE2 LYS 32 1HE LYS 32 4.457 -2.127 6.769 236 HE3 LYS 32 2HE LYS 32 5.755 -1.374 5.844 237 HZ1 LYS 32 3HZ LYS 32 6.153 -3.253 7.684 238 HZ2 LYS 32 1HZ LYS 32 6.331 -1.871 8.644 239 HZ3 LYS 32 2HZ LYS 32 7.310 -2.087 7.282 240 H HIS 33 H HIS 33 4.757 3.914 3.529 241 HA HIS 33 HA HIS 33 7.599 3.796 2.792 242 HB2 HIS 33 1HB HIS 33 5.525 3.645 0.642 243 HB3 HIS 33 2HB HIS 33 7.193 3.081 0.627 244 HD1 HIS 33 HD1 HIS 33 7.312 1.135 2.881 245 HD2 HIS 33 HD2 HIS 33 4.005 1.432 0.383 246 HE1 HIS 33 HE1 HIS 33 6.133 -1.079 3.060 247 H SER 34 H SER 34 7.894 5.924 3.458 248 HA SER 34 HA SER 34 6.446 8.149 3.210 249 HB2 SER 34 1HB SER 34 8.985 7.808 3.824 250 HB3 SER 34 2HB SER 34 9.246 8.337 2.162 251 HG SER 34 HG SER 34 9.203 10.032 3.810 252 H ASN 35 H ASN 35 5.930 9.709 1.676 253 HA ASN 35 HA ASN 35 5.502 8.725 -0.970 254 HB2 ASN 35 1HB ASN 35 4.624 11.066 -1.372 255 HB3 ASN 35 2HB ASN 35 3.835 10.176 -0.073 256 HD21 ASN 35 1HD2 ASN 35 3.868 10.976 1.944 257 HD22 ASN 35 2HD2 ASN 35 4.660 12.441 2.403 258 H ILE 36 H ILE 36 7.591 8.315 -1.780 259 HA ILE 36 HA ILE 36 9.276 10.675 -2.252 260 HB ILE 36 HB ILE 36 11.066 9.082 -2.821 261 HG12 ILE 36 1HG1 ILE 36 9.361 6.852 -1.761 262 HG13 ILE 36 2HG1 ILE 36 9.279 7.286 -3.465 263 HG21 ILE 36 1HG2 ILE 36 10.919 7.913 -0.388 264 HG22 ILE 36 2HG2 ILE 36 11.417 9.582 -0.657 265 HG23 ILE 36 3HG2 ILE 36 9.754 9.223 -0.194 266 HD11 ILE 36 3HD1 ILE 36 10.826 5.540 -3.341 267 HD12 ILE 36 1HD1 ILE 36 11.801 7.001 -3.495 268 HD13 ILE 36 2HD1 ILE 36 11.616 6.225 -1.921 269 H LEU 37 H LEU 37 9.908 11.269 -4.300 270 HA LEU 37 HA LEU 37 8.369 10.055 -6.488 271 HB2 LEU 37 1HB LEU 37 8.451 12.107 -7.609 272 HB3 LEU 37 2HB LEU 37 8.134 12.514 -5.924 273 HG LEU 37 HG LEU 37 10.951 12.566 -6.889 274 HD11 LEU 37 1HD1 LEU 37 9.413 15.063 -7.209 275 HD12 LEU 37 2HD1 LEU 37 9.160 13.824 -8.438 276 HD13 LEU 37 3HD1 LEU 37 10.783 14.443 -8.130 277 HD21 LEU 37 3HD2 LEU 37 11.251 13.521 -4.910 278 HD22 LEU 37 1HD2 LEU 37 9.536 13.298 -4.563 279 HD23 LEU 37 2HD2 LEU 37 10.096 14.792 -5.315 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -21.727 -17.463 4.904 2 HA2 GLY 1 1HA GLY 1 -23.494 -17.005 2.611 3 HA3 GLY 1 2HA GLY 1 -22.635 -15.622 3.272 4 H SER 2 H SER 2 -22.554 -17.859 0.892 5 HA SER 2 HA SER 2 -19.618 -17.701 0.679 6 HB2 SER 2 1HB SER 2 -21.459 -19.958 -0.136 7 HB3 SER 2 2HB SER 2 -19.770 -19.851 -0.630 8 HG SER 2 HG SER 2 -19.207 -19.873 1.590 9 H SER 3 H SER 3 -21.261 -15.694 -0.303 10 HA SER 3 HA SER 3 -21.655 -16.168 -3.141 11 HB2 SER 3 1HB SER 3 -22.519 -13.838 -3.159 12 HB3 SER 3 2HB SER 3 -23.337 -14.852 -1.970 13 HG SER 3 HG SER 3 -22.062 -13.911 -0.361 14 H GLY 4 H GLY 4 -20.939 -14.147 -4.546 15 HA2 GLY 4 1HA GLY 4 -18.060 -14.177 -4.473 16 HA3 GLY 4 2HA GLY 4 -19.067 -13.385 -5.676 17 H SER 5 H SER 5 -16.950 -12.899 -3.152 18 HA SER 5 HA SER 5 -18.027 -10.459 -2.109 19 HB2 SER 5 1HB SER 5 -15.803 -10.232 -1.019 20 HB3 SER 5 2HB SER 5 -16.543 -11.807 -0.732 21 HG SER 5 HG SER 5 -14.778 -11.440 -2.892 22 H SER 6 H SER 6 -18.006 -8.547 -3.067 23 HA SER 6 HA SER 6 -16.740 -8.071 -5.544 24 HB2 SER 6 1HB SER 6 -17.549 -5.797 -5.333 25 HB3 SER 6 2HB SER 6 -18.795 -6.897 -4.742 26 HG SER 6 HG SER 6 -17.770 -4.875 -3.462 27 H GLY 7 H GLY 7 -15.934 -7.094 -2.232 28 HA2 GLY 7 1HA GLY 7 -13.759 -5.436 -2.821 29 HA3 GLY 7 2HA GLY 7 -13.981 -6.313 -1.315 30 H HIS 8 H HIS 8 -11.621 -5.752 -3.172 31 HA HIS 8 HA HIS 8 -10.691 -8.544 -3.333 32 HB2 HIS 8 1HB HIS 8 -11.010 -7.635 -5.582 33 HB3 HIS 8 2HB HIS 8 -9.989 -6.256 -5.185 34 HD1 HIS 8 HD1 HIS 8 -7.497 -6.551 -5.431 35 HD2 HIS 8 HD2 HIS 8 -9.589 -10.120 -5.812 36 HE1 HIS 8 HE1 HIS 8 -5.810 -8.237 -6.231 37 H LEU 9 H LEU 9 -8.498 -8.929 -2.833 38 HA LEU 9 HA LEU 9 -7.370 -6.936 -1.016 39 HB2 LEU 9 1HB LEU 9 -6.935 -9.875 -1.414 40 HB3 LEU 9 2HB LEU 9 -5.793 -8.902 -0.491 41 HG LEU 9 HG LEU 9 -7.501 -10.180 0.851 42 HD11 LEU 9 1HD1 LEU 9 -7.923 -8.306 2.387 43 HD12 LEU 9 2HD1 LEU 9 -7.396 -7.181 1.136 44 HD13 LEU 9 3HD1 LEU 9 -6.256 -8.343 1.813 45 HD21 LEU 9 3HD2 LEU 9 -9.410 -9.781 -0.648 46 HD22 LEU 9 1HD2 LEU 9 -9.362 -8.067 -0.233 47 HD23 LEU 9 2HD2 LEU 9 -9.742 -9.265 1.006 48 H TYR 10 H TYR 10 -5.888 -5.593 -1.776 49 HA TYR 10 HA TYR 10 -4.376 -6.282 -4.166 50 HB2 TYR 10 1HB TYR 10 -4.730 -3.737 -2.594 51 HB3 TYR 10 2HB TYR 10 -3.528 -3.880 -3.872 52 HD1 TYR 10 HD1 TYR 10 -7.107 -4.921 -3.513 53 HD2 TYR 10 HD2 TYR 10 -4.199 -2.820 -5.800 54 HE1 TYR 10 HE1 TYR 10 -8.827 -4.372 -5.183 55 HE2 TYR 10 HE2 TYR 10 -5.911 -2.264 -7.476 56 HH TYR 10 HH TYR 10 -8.789 -3.786 -7.739 57 H TYR 11 H TYR 11 -2.186 -6.541 -4.261 58 HA TYR 11 HA TYR 11 -0.851 -7.026 -1.710 59 HB2 TYR 11 1HB TYR 11 0.406 -7.589 -4.369 60 HB3 TYR 11 2HB TYR 11 0.602 -8.441 -2.842 61 HD1 TYR 11 HD2 TYR 11 -1.788 -9.430 -1.959 62 HD2 TYR 11 HD1 TYR 11 -0.691 -8.758 -6.015 63 HE1 TYR 11 HE2 TYR 11 -3.440 -11.104 -2.677 64 HE2 TYR 11 HE1 TYR 11 -2.342 -10.430 -6.744 65 HH TYR 11 HH TYR 11 -3.496 -12.666 -5.209 66 H CYS 12 H CYS 12 0.162 -5.339 -0.850 67 HA CYS 12 HA CYS 12 0.836 -2.950 -1.929 68 HB2 CYS 12 1HB CYS 12 1.072 -3.514 0.465 69 HB3 CYS 12 2HB CYS 12 2.510 -4.457 0.091 70 H SER 13 H SER 13 2.516 -2.038 -3.052 71 HA SER 13 HA SER 13 3.977 -3.771 -4.795 72 HB2 SER 13 1HB SER 13 3.661 -0.829 -4.465 73 HB3 SER 13 2HB SER 13 5.099 -1.399 -5.312 74 HG SER 13 HG SER 13 2.857 -1.028 -6.422 75 H GLN 14 H GLN 14 4.937 -1.486 -2.239 76 HA GLN 14 HA GLN 14 7.689 -2.021 -2.345 77 HB2 GLN 14 1HB GLN 14 5.842 -0.780 -0.372 78 HB3 GLN 14 2HB GLN 14 7.427 -1.275 0.207 79 HG2 GLN 14 1HG GLN 14 7.649 0.975 -0.404 80 HG3 GLN 14 2HG GLN 14 8.398 0.055 -1.708 81 HE21 GLN 14 1HE2 GLN 14 8.047 1.087 -3.536 82 HE22 GLN 14 2HE2 GLN 14 6.539 1.748 -4.058 83 H CYS 15 H CYS 15 5.387 -3.116 0.154 84 HA CYS 15 HA CYS 15 7.106 -5.472 0.562 85 HB2 CYS 15 1HB CYS 15 6.332 -5.561 2.832 86 HB3 CYS 15 2HB CYS 15 6.839 -3.908 2.504 87 H HIS 16 H HIS 16 5.547 -7.195 1.840 88 HA HIS 16 HA HIS 16 3.525 -7.865 -0.166 89 HB2 HIS 16 1HB HIS 16 5.415 -9.459 0.635 90 HB3 HIS 16 2HB HIS 16 4.399 -9.691 2.055 91 HD1 HIS 16 HD1 HIS 16 5.140 -11.715 -0.436 92 HD2 HIS 16 HD2 HIS 16 1.506 -9.910 0.459 93 HE1 HIS 16 HE1 HIS 16 3.388 -13.157 -1.520 94 H TYR 17 H TYR 17 2.812 -5.811 1.567 95 HA TYR 17 HA TYR 17 1.108 -6.983 3.619 96 HB2 TYR 17 1HB TYR 17 2.270 -5.023 4.324 97 HB3 TYR 17 2HB TYR 17 1.782 -4.134 2.885 98 HD1 TYR 17 HD2 TYR 17 -0.502 -3.271 2.672 99 HD2 TYR 17 HD1 TYR 17 0.780 -5.269 6.202 100 HE1 TYR 17 HE2 TYR 17 -2.454 -2.383 3.877 101 HE2 TYR 17 HE1 TYR 17 -1.169 -4.388 7.416 102 HH TYR 17 HH TYR 17 -2.724 -2.288 7.125 103 H SER 18 H SER 18 -0.903 -7.568 3.193 104 HA SER 18 HA SER 18 -2.399 -6.095 1.128 105 HB2 SER 18 1HB SER 18 -2.499 -9.082 1.612 106 HB3 SER 18 2HB SER 18 -3.459 -8.195 0.429 107 HG SER 18 HG SER 18 -0.624 -8.356 0.469 108 H SER 19 H SER 19 -4.337 -5.368 1.739 109 HA SER 19 HA SER 19 -5.724 -6.634 3.980 110 HB2 SER 19 1HB SER 19 -4.677 -3.830 3.931 111 HB3 SER 19 2HB SER 19 -6.197 -4.161 4.762 112 HG SER 19 HG SER 19 -4.560 -4.412 6.240 113 H ILE 20 H ILE 20 -7.966 -5.814 4.217 114 HA ILE 20 HA ILE 20 -9.232 -5.696 1.654 115 HB ILE 20 HB ILE 20 -11.337 -5.639 2.884 116 HG12 ILE 20 1HG1 ILE 20 -9.767 -5.640 5.454 117 HG13 ILE 20 2HG1 ILE 20 -10.332 -4.142 4.724 118 HG21 ILE 20 1HG2 ILE 20 -10.877 -7.713 4.360 119 HG22 ILE 20 2HG2 ILE 20 -10.595 -7.818 2.623 120 HG23 ILE 20 3HG2 ILE 20 -9.236 -7.595 3.724 121 HD11 ILE 20 3HD1 ILE 20 -12.230 -6.384 5.274 122 HD12 ILE 20 1HD1 ILE 20 -11.759 -5.255 6.545 123 HD13 ILE 20 2HD1 ILE 20 -12.559 -4.661 5.089 124 H THR 21 H THR 21 -10.764 -4.055 0.990 125 HA THR 21 HA THR 21 -11.454 -1.916 0.595 126 HB THR 21 HB THR 21 -10.138 -1.074 3.175 127 HG1 THR 21 HG1 THR 21 -12.003 -1.709 4.226 128 HG21 THR 21 3HG2 THR 21 -11.053 0.632 1.537 129 HG22 THR 21 1HG2 THR 21 -11.707 0.704 3.173 130 HG23 THR 21 2HG2 THR 21 -12.650 -0.033 1.877 131 H LYS 22 H LYS 22 -9.348 -2.596 -0.811 132 HA LYS 22 HA LYS 22 -6.895 -1.540 -0.649 133 HB2 LYS 22 1HB LYS 22 -6.891 -1.242 -3.078 134 HB3 LYS 22 2HB LYS 22 -7.707 -2.733 -2.627 135 HG2 LYS 22 1HG LYS 22 -9.177 -1.952 -4.170 136 HG3 LYS 22 2HG LYS 22 -9.840 -1.179 -2.729 137 HD2 LYS 22 1HD LYS 22 -9.752 0.601 -4.183 138 HD3 LYS 22 2HD LYS 22 -8.189 0.750 -3.376 139 HE2 LYS 22 1HE LYS 22 -7.674 0.986 -5.638 140 HE3 LYS 22 2HE LYS 22 -7.288 -0.699 -5.293 141 HZ1 LYS 22 3HZ LYS 22 -9.762 0.302 -6.595 142 HZ2 LYS 22 1HZ LYS 22 -9.464 -1.316 -6.199 143 HZ3 LYS 22 2HZ LYS 22 -8.500 -0.535 -7.349 144 H ASN 23 H ASN 23 -9.840 0.293 -1.043 145 HA ASN 23 HA ASN 23 -8.958 2.732 -1.922 146 HB2 ASN 23 1HB ASN 23 -10.983 2.220 0.269 147 HB3 ASN 23 2HB ASN 23 -10.810 3.729 -0.623 148 HD21 ASN 23 1HD2 ASN 23 -13.034 1.770 -0.385 149 HD22 ASN 23 2HD2 ASN 23 -13.449 1.368 -2.013 150 H CYS 24 H CYS 24 -8.943 1.560 1.436 151 HA CYS 24 HA CYS 24 -7.537 3.906 2.360 152 HB2 CYS 24 1HB CYS 24 -7.577 2.789 4.555 153 HB3 CYS 24 2HB CYS 24 -9.174 2.833 3.820 154 HG CYS 24 HG CYS 24 -8.202 0.353 5.254 155 H LEU 25 H LEU 25 -6.788 0.556 1.602 156 HA LEU 25 HA LEU 25 -4.398 0.045 2.685 157 HB2 LEU 25 1HB LEU 25 -5.211 -1.545 1.189 158 HB3 LEU 25 2HB LEU 25 -5.347 -0.376 -0.123 159 HG LEU 25 HG LEU 25 -2.818 -0.314 -0.159 160 HD11 LEU 25 1HD1 LEU 25 -2.103 -2.760 0.774 161 HD12 LEU 25 2HD1 LEU 25 -3.274 -2.255 1.992 162 HD13 LEU 25 3HD1 LEU 25 -1.870 -1.245 1.647 163 HD21 LEU 25 3HD2 LEU 25 -2.873 -2.854 -1.068 164 HD22 LEU 25 1HD2 LEU 25 -3.501 -1.472 -1.966 165 HD23 LEU 25 2HD2 LEU 25 -4.599 -2.490 -1.034 166 H LYS 26 H LYS 26 -4.908 2.249 -0.038 167 HA LYS 26 HA LYS 26 -2.414 2.877 -0.854 168 HB2 LYS 26 1HB LYS 26 -4.395 3.977 -1.745 169 HB3 LYS 26 2HB LYS 26 -4.626 4.842 -0.231 170 HG2 LYS 26 1HG LYS 26 -2.274 5.799 -0.681 171 HG3 LYS 26 2HG LYS 26 -2.543 5.250 -2.336 172 HD2 LYS 26 1HD LYS 26 -3.271 7.482 -2.318 173 HD3 LYS 26 2HD LYS 26 -4.751 6.525 -2.220 174 HE2 LYS 26 1HE LYS 26 -4.775 6.847 0.217 175 HE3 LYS 26 2HE LYS 26 -3.319 7.832 0.092 176 HZ1 LYS 26 3HZ LYS 26 -5.181 8.869 -1.697 177 HZ2 LYS 26 1HZ LYS 26 -4.605 9.577 -0.273 178 HZ3 LYS 26 2HZ LYS 26 -5.997 8.618 -0.237 179 H ARG 27 H ARG 27 -3.968 4.192 2.061 180 HA ARG 27 HA ARG 27 -2.043 5.940 2.926 181 HB2 ARG 27 1HB ARG 27 -4.236 5.536 4.031 182 HB3 ARG 27 2HB ARG 27 -3.591 4.042 4.697 183 HG2 ARG 27 1HG ARG 27 -2.139 5.160 6.129 184 HG3 ARG 27 2HG ARG 27 -2.242 6.663 5.210 185 HD2 ARG 27 1HD ARG 27 -3.501 6.962 7.209 186 HD3 ARG 27 2HD ARG 27 -4.649 6.804 5.881 187 HE ARG 27 HE ARG 27 -5.425 4.864 6.823 188 HH11 ARG 27 1HH1 ARG 27 -2.400 5.738 8.308 189 HH12 ARG 27 2HH1 ARG 27 -2.511 4.532 9.548 190 HH21 ARG 27 1HH2 ARG 27 -5.582 3.273 8.450 191 HH22 ARG 27 2HH2 ARG 27 -4.321 3.130 9.627 192 H HIS 28 H HIS 28 -2.231 2.491 3.822 193 HA HIS 28 HA HIS 28 -0.079 2.129 5.374 194 HB2 HIS 28 1HB HIS 28 -1.294 0.194 4.819 195 HB3 HIS 28 2HB HIS 28 -1.068 0.440 3.089 196 HD1 HIS 28 HD1 HIS 28 0.732 -0.799 6.147 197 HD2 HIS 28 HD2 HIS 28 1.249 -0.648 2.027 198 HE1 HIS 28 HE1 HIS 28 2.708 -2.277 5.662 199 H VAL 29 H VAL 29 0.065 2.447 1.842 200 HA VAL 29 HA VAL 29 2.905 2.206 1.707 201 HB VAL 29 HB VAL 29 0.973 3.361 -0.310 202 HG11 VAL 29 1HG1 VAL 29 3.597 3.815 -0.349 203 HG12 VAL 29 2HG1 VAL 29 3.590 2.223 -1.109 204 HG13 VAL 29 3HG1 VAL 29 2.662 3.544 -1.819 205 HG21 VAL 29 3HG2 VAL 29 1.459 0.679 0.546 206 HG22 VAL 29 1HG2 VAL 29 0.347 1.265 -0.691 207 HG23 VAL 29 2HG2 VAL 29 2.009 0.863 -1.119 208 H ILE 30 H ILE 30 0.650 4.900 1.913 209 HA ILE 30 HA ILE 30 2.412 6.992 1.326 210 HB ILE 30 HB ILE 30 0.075 7.047 3.239 211 HG12 ILE 30 1HG1 ILE 30 -0.466 6.230 0.940 212 HG13 ILE 30 2HG1 ILE 30 -1.269 7.740 1.357 213 HG21 ILE 30 1HG2 ILE 30 0.415 9.230 3.501 214 HG22 ILE 30 2HG2 ILE 30 1.994 8.991 2.755 215 HG23 ILE 30 3HG2 ILE 30 0.616 9.475 1.767 216 HD11 ILE 30 3HD1 ILE 30 0.438 7.158 -0.845 217 HD12 ILE 30 1HD1 ILE 30 -0.465 8.631 -0.495 218 HD13 ILE 30 2HD1 ILE 30 1.170 8.427 0.137 219 H GLN 31 H GLN 31 1.732 5.324 4.363 220 HA GLN 31 HA GLN 31 3.619 7.013 5.798 221 HB2 GLN 31 1HB GLN 31 1.893 4.714 6.729 222 HB3 GLN 31 2HB GLN 31 2.932 5.672 7.775 223 HG2 GLN 31 1HG GLN 31 1.638 7.662 7.280 224 HG3 GLN 31 2HG GLN 31 0.622 6.743 6.170 225 HE21 GLN 31 1HE2 GLN 31 0.186 8.226 8.790 226 HE22 GLN 31 2HE2 GLN 31 -0.714 7.108 9.751 227 H LYS 32 H LYS 32 3.153 3.480 5.681 228 HA LYS 32 HA LYS 32 5.650 2.731 6.555 229 HB2 LYS 32 1HB LYS 32 3.990 1.304 4.469 230 HB3 LYS 32 2HB LYS 32 5.261 0.582 5.448 231 HG2 LYS 32 1HG LYS 32 2.806 1.834 6.643 232 HG3 LYS 32 2HG LYS 32 2.888 0.134 6.175 233 HD2 LYS 32 1HD LYS 32 4.418 -0.383 7.823 234 HD3 LYS 32 2HD LYS 32 5.015 1.274 7.934 235 HE2 LYS 32 1HE LYS 32 2.797 1.909 8.911 236 HE3 LYS 32 2HE LYS 32 2.398 0.193 8.966 237 HZ1 LYS 32 3HZ LYS 32 4.218 1.727 10.633 238 HZ2 LYS 32 1HZ LYS 32 4.745 0.179 10.200 239 HZ3 LYS 32 2HZ LYS 32 3.276 0.375 11.016 240 H HIS 33 H HIS 33 4.681 3.783 3.361 241 HA HIS 33 HA HIS 33 7.508 3.722 2.551 242 HB2 HIS 33 1HB HIS 33 5.272 3.257 0.590 243 HB3 HIS 33 2HB HIS 33 6.992 2.934 0.389 244 HD1 HIS 33 HD1 HIS 33 7.691 1.151 2.650 245 HD2 HIS 33 HD2 HIS 33 4.049 0.856 0.671 246 HE1 HIS 33 HE1 HIS 33 6.875 -1.187 3.087 247 H SER 34 H SER 34 7.607 5.060 0.322 248 HA SER 34 HA SER 34 6.037 7.520 0.653 249 HB2 SER 34 1HB SER 34 8.240 7.840 1.741 250 HB3 SER 34 2HB SER 34 9.033 7.442 0.217 251 HG SER 34 HG SER 34 8.788 9.720 0.584 252 H ASN 35 H ASN 35 4.813 7.123 -1.161 253 HA ASN 35 HA ASN 35 6.232 6.771 -3.707 254 HB2 ASN 35 1HB ASN 35 4.461 5.133 -3.195 255 HB3 ASN 35 2HB ASN 35 3.289 6.443 -3.078 256 HD21 ASN 35 1HD2 ASN 35 5.610 4.957 -5.288 257 HD22 ASN 35 2HD2 ASN 35 4.711 5.277 -6.728 258 H ILE 36 H ILE 36 3.426 8.576 -2.439 259 HA ILE 36 HA ILE 36 3.539 10.481 -4.587 260 HB ILE 36 HB ILE 36 1.955 10.633 -2.021 261 HG12 ILE 36 1HG1 ILE 36 0.854 9.773 -4.678 262 HG13 ILE 36 2HG1 ILE 36 1.640 8.601 -3.625 263 HG21 ILE 36 1HG2 ILE 36 1.786 12.124 -4.627 264 HG22 ILE 36 2HG2 ILE 36 0.474 12.093 -3.449 265 HG23 ILE 36 3HG2 ILE 36 2.037 12.781 -3.011 266 HD11 ILE 36 3HD1 ILE 36 -0.159 9.985 -1.998 267 HD12 ILE 36 1HD1 ILE 36 -1.016 9.668 -3.506 268 HD13 ILE 36 2HD1 ILE 36 -0.300 8.334 -2.602 269 H LEU 37 H LEU 37 4.581 12.370 -4.650 270 HA LEU 37 HA LEU 37 6.681 13.118 -3.170 271 HB2 LEU 37 1HB LEU 37 6.242 15.456 -3.790 272 HB3 LEU 37 2HB LEU 37 6.030 14.339 -5.136 273 HG LEU 37 HG LEU 37 3.630 15.165 -3.573 274 HD11 LEU 37 1HD1 LEU 37 3.364 17.192 -4.757 275 HD12 LEU 37 2HD1 LEU 37 4.750 16.856 -5.793 276 HD13 LEU 37 3HD1 LEU 37 4.995 17.225 -4.086 277 HD21 LEU 37 3HD2 LEU 37 2.698 13.966 -5.194 278 HD22 LEU 37 1HD2 LEU 37 4.240 13.809 -6.034 279 HD23 LEU 37 2HD2 LEU 37 3.209 15.207 -6.340 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -5.375 -24.176 -7.663 2 HA2 GLY 1 1HA GLY 1 -7.826 -24.051 -8.993 3 HA3 GLY 1 2HA GLY 1 -7.625 -24.427 -7.288 4 H SER 2 H SER 2 -7.958 -21.774 -9.596 5 HA SER 2 HA SER 2 -9.684 -20.342 -7.824 6 HB2 SER 2 1HB SER 2 -8.247 -18.296 -7.681 7 HB3 SER 2 2HB SER 2 -7.614 -19.669 -6.773 8 HG SER 2 HG SER 2 -6.795 -19.232 -9.428 9 H SER 3 H SER 3 -11.139 -19.396 -9.079 10 HA SER 3 HA SER 3 -10.314 -18.499 -11.763 11 HB2 SER 3 1HB SER 3 -11.772 -20.553 -11.752 12 HB3 SER 3 2HB SER 3 -13.047 -19.570 -11.031 13 HG SER 3 HG SER 3 -12.544 -19.843 -13.569 14 H GLY 4 H GLY 4 -12.650 -18.021 -9.129 15 HA2 GLY 4 1HA GLY 4 -12.381 -15.270 -8.960 16 HA3 GLY 4 2HA GLY 4 -13.659 -15.558 -10.131 17 H SER 5 H SER 5 -14.871 -14.316 -8.446 18 HA SER 5 HA SER 5 -16.277 -14.169 -6.645 19 HB2 SER 5 1HB SER 5 -16.789 -16.909 -7.780 20 HB3 SER 5 2HB SER 5 -17.711 -16.313 -6.399 21 HG SER 5 HG SER 5 -18.870 -15.255 -7.779 22 H SER 6 H SER 6 -13.670 -14.688 -5.836 23 HA SER 6 HA SER 6 -14.018 -16.597 -3.621 24 HB2 SER 6 1HB SER 6 -12.146 -17.084 -5.191 25 HB3 SER 6 2HB SER 6 -11.427 -15.530 -4.769 26 HG SER 6 HG SER 6 -11.178 -17.842 -3.502 27 H GLY 7 H GLY 7 -12.280 -13.557 -4.334 28 HA2 GLY 7 1HA GLY 7 -13.413 -12.178 -2.126 29 HA3 GLY 7 2HA GLY 7 -11.811 -12.772 -1.714 30 H HIS 8 H HIS 8 -12.213 -10.110 -1.639 31 HA HIS 8 HA HIS 8 -10.857 -9.145 -4.072 32 HB2 HIS 8 1HB HIS 8 -12.735 -7.599 -2.272 33 HB3 HIS 8 2HB HIS 8 -11.901 -6.952 -3.682 34 HD1 HIS 8 HD1 HIS 8 -15.090 -8.105 -2.765 35 HD2 HIS 8 HD2 HIS 8 -12.666 -8.715 -6.084 36 HE1 HIS 8 HE1 HIS 8 -16.637 -8.868 -4.596 37 H LEU 9 H LEU 9 -8.769 -9.313 -3.355 38 HA LEU 9 HA LEU 9 -8.047 -7.550 -1.113 39 HB2 LEU 9 1HB LEU 9 -6.701 -10.171 -1.738 40 HB3 LEU 9 2HB LEU 9 -6.363 -9.097 -0.382 41 HG LEU 9 HG LEU 9 -9.003 -10.500 -0.742 42 HD11 LEU 9 1HD1 LEU 9 -7.559 -12.306 -0.524 43 HD12 LEU 9 2HD1 LEU 9 -8.039 -11.972 1.139 44 HD13 LEU 9 3HD1 LEU 9 -6.467 -11.432 0.550 45 HD21 LEU 9 3HD2 LEU 9 -8.273 -8.418 0.892 46 HD22 LEU 9 1HD2 LEU 9 -8.052 -9.826 1.930 47 HD23 LEU 9 2HD2 LEU 9 -9.617 -9.526 1.173 48 H TYR 10 H TYR 10 -6.042 -6.495 -1.280 49 HA TYR 10 HA TYR 10 -4.686 -6.708 -3.880 50 HB2 TYR 10 1HB TYR 10 -5.624 -4.180 -2.521 51 HB3 TYR 10 2HB TYR 10 -4.438 -4.191 -3.822 52 HD1 TYR 10 HD1 TYR 10 -7.962 -4.707 -2.957 53 HD2 TYR 10 HD2 TYR 10 -5.099 -4.677 -6.103 54 HE1 TYR 10 HE1 TYR 10 -9.785 -4.677 -4.607 55 HE2 TYR 10 HE2 TYR 10 -6.914 -4.646 -7.763 56 HH TYR 10 HH TYR 10 -10.096 -5.351 -7.019 57 H TYR 11 H TYR 11 -2.512 -6.661 -3.795 58 HA TYR 11 HA TYR 11 -1.273 -6.614 -1.171 59 HB2 TYR 11 1HB TYR 11 -0.301 -7.360 -3.923 60 HB3 TYR 11 2HB TYR 11 0.802 -7.220 -2.558 61 HD1 TYR 11 HD1 TYR 11 -2.521 -8.802 -3.252 62 HD2 TYR 11 HD2 TYR 11 1.350 -9.202 -1.531 63 HE1 TYR 11 HE1 TYR 11 -3.061 -11.108 -2.589 64 HE2 TYR 11 HE2 TYR 11 0.820 -11.510 -0.864 65 HH TYR 11 HH TYR 11 -0.688 -13.133 -0.886 66 H CYS 12 H CYS 12 0.440 -5.260 -0.574 67 HA CYS 12 HA CYS 12 0.229 -2.579 -1.459 68 HB2 CYS 12 1HB CYS 12 0.877 -3.113 0.830 69 HB3 CYS 12 2HB CYS 12 2.335 -3.915 0.255 70 H SER 13 H SER 13 2.003 -1.259 -2.301 71 HA SER 13 HA SER 13 3.154 -2.471 -4.627 72 HB2 SER 13 1HB SER 13 3.402 0.306 -3.455 73 HB3 SER 13 2HB SER 13 4.141 -0.180 -4.981 74 HG SER 13 HG SER 13 1.525 0.409 -4.403 75 H GLN 14 H GLN 14 4.705 -0.600 -2.014 76 HA GLN 14 HA GLN 14 7.314 -1.396 -2.574 77 HB2 GLN 14 1HB GLN 14 6.307 0.407 -0.917 78 HB3 GLN 14 2HB GLN 14 6.523 -0.884 0.257 79 HG2 GLN 14 1HG GLN 14 8.445 0.538 0.298 80 HG3 GLN 14 2HG GLN 14 8.902 -1.021 -0.386 81 HE21 GLN 14 1HE2 GLN 14 7.520 2.024 -1.588 82 HE22 GLN 14 2HE2 GLN 14 8.602 2.184 -2.924 83 H CYS 15 H CYS 15 5.219 -2.617 0.046 84 HA CYS 15 HA CYS 15 6.878 -5.036 0.152 85 HB2 CYS 15 1HB CYS 15 6.002 -5.404 2.358 86 HB3 CYS 15 2HB CYS 15 6.506 -3.721 2.253 87 H HIS 16 H HIS 16 5.449 -7.002 0.966 88 HA HIS 16 HA HIS 16 3.323 -7.296 -1.036 89 HB2 HIS 16 1HB HIS 16 5.263 -9.164 0.230 90 HB3 HIS 16 2HB HIS 16 3.686 -9.813 -0.210 91 HD1 HIS 16 HD1 HIS 16 3.869 -10.964 -2.379 92 HD2 HIS 16 HD2 HIS 16 6.191 -7.520 -2.269 93 HE1 HIS 16 HE1 HIS 16 4.912 -10.783 -4.660 94 H TYR 17 H TYR 17 2.533 -5.841 1.110 95 HA TYR 17 HA TYR 17 1.171 -7.659 2.950 96 HB2 TYR 17 1HB TYR 17 2.152 -5.904 4.149 97 HB3 TYR 17 2HB TYR 17 1.700 -4.702 2.945 98 HD1 TYR 17 HD1 TYR 17 0.146 -7.068 5.380 99 HD2 TYR 17 HD2 TYR 17 -0.120 -3.332 3.363 100 HE1 TYR 17 HE1 TYR 17 -1.846 -6.500 6.708 101 HE2 TYR 17 HE2 TYR 17 -2.112 -2.753 4.685 102 HH TYR 17 HH TYR 17 -3.426 -4.999 7.106 103 H SER 18 H SER 18 -0.695 -8.440 2.221 104 HA SER 18 HA SER 18 -2.423 -6.733 0.578 105 HB2 SER 18 1HB SER 18 -1.942 -8.896 -0.402 106 HB3 SER 18 2HB SER 18 -2.459 -9.720 1.069 107 HG SER 18 HG SER 18 -4.284 -8.000 -0.140 108 H SER 19 H SER 19 -4.327 -5.985 1.289 109 HA SER 19 HA SER 19 -5.531 -7.153 3.686 110 HB2 SER 19 1HB SER 19 -5.837 -4.949 4.718 111 HB3 SER 19 2HB SER 19 -4.124 -5.286 4.473 112 HG SER 19 HG SER 19 -5.461 -3.959 2.425 113 H ILE 20 H ILE 20 -7.691 -5.844 4.122 114 HA ILE 20 HA ILE 20 -9.169 -5.976 1.611 115 HB ILE 20 HB ILE 20 -10.200 -5.703 4.437 116 HG12 ILE 20 1HG1 ILE 20 -10.354 -8.161 2.708 117 HG13 ILE 20 2HG1 ILE 20 -8.955 -7.855 3.732 118 HG21 ILE 20 1HG2 ILE 20 -12.221 -6.756 2.936 119 HG22 ILE 20 2HG2 ILE 20 -12.066 -5.057 3.380 120 HG23 ILE 20 3HG2 ILE 20 -11.485 -5.615 1.811 121 HD11 ILE 20 3HD1 ILE 20 -11.764 -8.485 4.499 122 HD12 ILE 20 1HD1 ILE 20 -10.254 -9.195 5.069 123 HD13 ILE 20 2HD1 ILE 20 -10.730 -7.585 5.608 124 H THR 21 H THR 21 -10.465 -4.319 0.825 125 HA THR 21 HA THR 21 -11.223 -2.189 0.483 126 HB THR 21 HB THR 21 -10.073 -1.372 3.146 127 HG1 THR 21 HG1 THR 21 -11.452 -2.715 4.013 128 HG21 THR 21 3HG2 THR 21 -12.479 -0.119 2.802 129 HG22 THR 21 1HG2 THR 21 -11.871 -0.200 1.150 130 HG23 THR 21 2HG2 THR 21 -10.909 0.580 2.406 131 H LYS 22 H LYS 22 -9.012 -2.799 -0.803 132 HA LYS 22 HA LYS 22 -6.605 -1.658 -0.441 133 HB2 LYS 22 1HB LYS 22 -6.402 -1.409 -2.856 134 HB3 LYS 22 2HB LYS 22 -7.241 -2.905 -2.466 135 HG2 LYS 22 1HG LYS 22 -9.267 -2.133 -3.249 136 HG3 LYS 22 2HG LYS 22 -8.811 -0.438 -3.062 137 HD2 LYS 22 1HD LYS 22 -7.260 -2.101 -4.978 138 HD3 LYS 22 2HD LYS 22 -8.892 -1.611 -5.437 139 HE2 LYS 22 1HE LYS 22 -7.361 0.027 -6.269 140 HE3 LYS 22 2HE LYS 22 -8.253 0.743 -4.927 141 HZ1 LYS 22 3HZ LYS 22 -6.382 0.389 -3.490 142 HZ2 LYS 22 1HZ LYS 22 -5.856 1.223 -4.865 143 HZ3 LYS 22 2HZ LYS 22 -5.534 -0.430 -4.704 144 H ASN 23 H ASN 23 -9.585 0.044 -1.037 145 HA ASN 23 HA ASN 23 -8.794 2.504 -1.913 146 HB2 ASN 23 1HB ASN 23 -11.143 1.616 -1.193 147 HB3 ASN 23 2HB ASN 23 -10.742 2.338 0.363 148 HD21 ASN 23 1HD2 ASN 23 -12.189 3.975 0.342 149 HD22 ASN 23 2HD2 ASN 23 -12.164 5.273 -0.798 150 H CYS 24 H CYS 24 -8.729 1.347 1.443 151 HA CYS 24 HA CYS 24 -7.539 3.780 2.413 152 HB2 CYS 24 1HB CYS 24 -9.035 2.439 3.834 153 HB3 CYS 24 2HB CYS 24 -7.893 1.101 3.775 154 HG CYS 24 HG CYS 24 -7.672 2.247 6.285 155 H LEU 25 H LEU 25 -6.438 0.513 1.654 156 HA LEU 25 HA LEU 25 -3.979 0.288 2.654 157 HB2 LEU 25 1HB LEU 25 -4.839 -1.327 1.100 158 HB3 LEU 25 2HB LEU 25 -4.762 -0.162 -0.220 159 HG LEU 25 HG LEU 25 -2.238 -0.171 0.134 160 HD11 LEU 25 1HD1 LEU 25 -2.516 -2.871 1.310 161 HD12 LEU 25 2HD1 LEU 25 -2.730 -1.497 2.394 162 HD13 LEU 25 3HD1 LEU 25 -1.228 -1.679 1.488 163 HD21 LEU 25 3HD2 LEU 25 -3.505 -2.755 -0.765 164 HD22 LEU 25 1HD2 LEU 25 -1.947 -2.100 -1.268 165 HD23 LEU 25 2HD2 LEU 25 -3.438 -1.282 -1.734 166 H LYS 26 H LYS 26 -4.827 2.449 -0.011 167 HA LYS 26 HA LYS 26 -2.465 3.347 -0.942 168 HB2 LYS 26 1HB LYS 26 -4.847 4.214 -1.407 169 HB3 LYS 26 2HB LYS 26 -4.554 5.338 -0.086 170 HG2 LYS 26 1HG LYS 26 -2.555 5.164 -2.282 171 HG3 LYS 26 2HG LYS 26 -4.077 6.008 -2.576 172 HD2 LYS 26 1HD LYS 26 -2.532 6.629 -0.101 173 HD3 LYS 26 2HD LYS 26 -1.981 7.290 -1.642 174 HE2 LYS 26 1HE LYS 26 -3.415 8.904 -0.619 175 HE3 LYS 26 2HE LYS 26 -4.280 8.201 -1.985 176 HZ1 LYS 26 3HZ LYS 26 -5.683 7.026 -0.599 177 HZ2 LYS 26 1HZ LYS 26 -5.494 8.479 0.246 178 HZ3 LYS 26 2HZ LYS 26 -4.635 7.103 0.727 179 H ARG 27 H ARG 27 -4.005 4.636 2.006 180 HA ARG 27 HA ARG 27 -2.093 6.435 2.792 181 HB2 ARG 27 1HB ARG 27 -4.350 5.783 3.893 182 HB3 ARG 27 2HB ARG 27 -3.390 4.632 4.812 183 HG2 ARG 27 1HG ARG 27 -3.601 6.560 6.153 184 HG3 ARG 27 2HG ARG 27 -1.951 6.565 5.527 185 HD2 ARG 27 1HD ARG 27 -2.623 8.150 3.785 186 HD3 ARG 27 2HD ARG 27 -4.269 8.145 4.417 187 HE ARG 27 HE ARG 27 -2.669 8.853 6.536 188 HH11 ARG 27 1HH1 ARG 27 -3.319 10.092 3.349 189 HH12 ARG 27 2HH1 ARG 27 -3.019 11.741 3.786 190 HH21 ARG 27 1HH2 ARG 27 -2.271 11.020 7.125 191 HH22 ARG 27 2HH2 ARG 27 -2.422 12.268 5.935 192 H HIS 28 H HIS 28 -2.256 3.065 3.959 193 HA HIS 28 HA HIS 28 -0.005 2.854 5.415 194 HB2 HIS 28 1HB HIS 28 -1.134 0.852 5.287 195 HB3 HIS 28 2HB HIS 28 -1.342 0.957 3.541 196 HD1 HIS 28 HD1 HIS 28 0.503 -0.844 6.009 197 HD2 HIS 28 HD2 HIS 28 1.310 0.542 2.176 198 HE1 HIS 28 HE1 HIS 28 2.474 -2.185 5.210 199 H VAL 29 H VAL 29 -0.089 2.549 1.869 200 HA VAL 29 HA VAL 29 2.579 2.087 1.372 201 HB VAL 29 HB VAL 29 0.732 3.824 -0.272 202 HG11 VAL 29 1HG1 VAL 29 3.495 3.087 -0.603 203 HG12 VAL 29 2HG1 VAL 29 2.515 2.443 -1.922 204 HG13 VAL 29 3HG1 VAL 29 2.500 4.172 -1.573 205 HG21 VAL 29 3HG2 VAL 29 1.232 1.089 -1.157 206 HG22 VAL 29 1HG2 VAL 29 0.392 1.184 0.390 207 HG23 VAL 29 2HG2 VAL 29 -0.284 1.980 -1.032 208 H ILE 30 H ILE 30 0.966 5.245 1.673 209 HA ILE 30 HA ILE 30 3.309 6.785 1.307 210 HB ILE 30 HB ILE 30 0.803 7.582 2.792 211 HG12 ILE 30 1HG1 ILE 30 1.391 8.207 -0.089 212 HG13 ILE 30 2HG1 ILE 30 0.611 6.693 0.358 213 HG21 ILE 30 1HG2 ILE 30 2.893 9.265 1.416 214 HG22 ILE 30 2HG2 ILE 30 1.450 9.858 2.237 215 HG23 ILE 30 3HG2 ILE 30 2.725 9.062 3.159 216 HD11 ILE 30 3HD1 ILE 30 -0.816 8.755 -0.303 217 HD12 ILE 30 1HD1 ILE 30 -1.314 7.737 1.048 218 HD13 ILE 30 2HD1 ILE 30 -0.501 9.272 1.353 219 H GLN 31 H GLN 31 1.574 5.753 4.233 220 HA GLN 31 HA GLN 31 3.348 6.999 6.054 221 HB2 GLN 31 1HB GLN 31 1.207 4.929 6.253 222 HB3 GLN 31 2HB GLN 31 2.310 5.128 7.609 223 HG2 GLN 31 1HG GLN 31 1.681 7.437 7.845 224 HG3 GLN 31 2HG GLN 31 0.679 7.347 6.397 225 HE21 GLN 31 1HE2 GLN 31 1.089 5.783 9.552 226 HE22 GLN 31 2HE2 GLN 31 -0.598 5.567 9.857 227 H LYS 32 H LYS 32 2.887 3.493 5.610 228 HA LYS 32 HA LYS 32 5.222 2.678 6.842 229 HB2 LYS 32 1HB LYS 32 3.455 1.461 4.759 230 HB3 LYS 32 2HB LYS 32 4.979 0.673 5.146 231 HG2 LYS 32 1HG LYS 32 2.922 1.385 7.219 232 HG3 LYS 32 2HG LYS 32 2.969 -0.171 6.387 233 HD2 LYS 32 1HD LYS 32 5.331 0.950 7.878 234 HD3 LYS 32 2HD LYS 32 4.111 -0.064 8.650 235 HE2 LYS 32 1HE LYS 32 5.667 -1.641 8.047 236 HE3 LYS 32 2HE LYS 32 4.608 -1.664 6.638 237 HZ1 LYS 32 3HZ LYS 32 6.230 -0.911 5.333 238 HZ2 LYS 32 1HZ LYS 32 7.295 -1.301 6.589 239 HZ3 LYS 32 2HZ LYS 32 6.709 0.279 6.436 240 H HIS 33 H HIS 33 4.710 3.740 3.532 241 HA HIS 33 HA HIS 33 7.628 3.726 3.152 242 HB2 HIS 33 1HB HIS 33 5.713 3.233 0.883 243 HB3 HIS 33 2HB HIS 33 7.447 2.931 0.940 244 HD1 HIS 33 HD1 HIS 33 8.094 0.980 2.822 245 HD2 HIS 33 HD2 HIS 33 4.249 0.995 1.246 246 HE1 HIS 33 HE1 HIS 33 7.182 -1.323 3.254 247 H SER 34 H SER 34 7.710 5.923 3.714 248 HA SER 34 HA SER 34 6.219 8.037 3.035 249 HB2 SER 34 1HB SER 34 9.222 8.054 2.670 250 HB3 SER 34 2HB SER 34 8.192 9.426 3.075 251 HG SER 34 HG SER 34 9.416 8.072 4.796 252 H ASN 35 H ASN 35 5.503 9.043 1.266 253 HA ASN 35 HA ASN 35 6.604 8.202 -1.330 254 HB2 ASN 35 1HB ASN 35 4.340 7.622 -1.346 255 HB3 ASN 35 2HB ASN 35 3.864 9.067 -0.459 256 HD21 ASN 35 1HD2 ASN 35 2.547 10.152 -1.741 257 HD22 ASN 35 2HD2 ASN 35 2.854 10.562 -3.391 258 H ILE 36 H ILE 36 8.310 9.725 -1.305 259 HA ILE 36 HA ILE 36 7.425 12.498 -1.770 260 HB ILE 36 HB ILE 36 9.777 13.132 -0.990 261 HG12 ILE 36 1HG1 ILE 36 9.659 10.575 0.577 262 HG13 ILE 36 2HG1 ILE 36 10.414 10.601 -1.012 263 HG21 ILE 36 1HG2 ILE 36 9.075 13.314 1.300 264 HG22 ILE 36 2HG2 ILE 36 7.672 13.548 0.258 265 HG23 ILE 36 3HG2 ILE 36 7.906 12.010 1.089 266 HD11 ILE 36 3HD1 ILE 36 11.654 12.695 0.085 267 HD12 ILE 36 1HD1 ILE 36 11.324 11.756 1.541 268 HD13 ILE 36 2HD1 ILE 36 12.246 11.039 0.220 269 H LEU 37 H LEU 37 7.274 11.755 -4.023 270 HA LEU 37 HA LEU 37 9.913 11.802 -5.332 271 HB2 LEU 37 1HB LEU 37 7.459 10.211 -6.020 272 HB3 LEU 37 2HB LEU 37 8.746 10.506 -7.187 273 HG LEU 37 HG LEU 37 9.332 9.218 -4.543 274 HD11 LEU 37 1HD1 LEU 37 8.636 7.681 -7.029 275 HD12 LEU 37 2HD1 LEU 37 7.459 8.024 -5.762 276 HD13 LEU 37 3HD1 LEU 37 8.896 7.069 -5.396 277 HD21 LEU 37 3HD2 LEU 37 11.369 9.496 -5.443 278 HD22 LEU 37 1HD2 LEU 37 10.729 9.740 -7.068 279 HD23 LEU 37 2HD2 LEU 37 10.934 8.105 -6.438 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -8.791 -27.892 -13.848 2 HA2 GLY 1 1HA GLY 1 -6.869 -26.401 -14.565 3 HA3 GLY 1 2HA GLY 1 -8.461 -25.789 -14.988 4 H SER 2 H SER 2 -5.816 -25.551 -12.685 5 HA SER 2 HA SER 2 -6.974 -23.198 -11.436 6 HB2 SER 2 1HB SER 2 -5.164 -23.310 -9.883 7 HB3 SER 2 2HB SER 2 -5.680 -24.973 -10.163 8 HG SER 2 HG SER 2 -3.279 -24.169 -10.342 9 H SER 3 H SER 3 -6.682 -22.645 -14.044 10 HA SER 3 HA SER 3 -4.426 -20.759 -14.062 11 HB2 SER 3 1HB SER 3 -5.311 -22.560 -16.323 12 HB3 SER 3 2HB SER 3 -4.235 -21.181 -16.544 13 HG SER 3 HG SER 3 -3.746 -23.653 -15.405 14 H GLY 4 H GLY 4 -5.453 -18.863 -13.805 15 HA2 GLY 4 1HA GLY 4 -6.879 -17.673 -15.885 16 HA3 GLY 4 2HA GLY 4 -8.060 -18.297 -14.743 17 H SER 5 H SER 5 -8.530 -15.896 -14.734 18 HA SER 5 HA SER 5 -6.680 -14.312 -13.145 19 HB2 SER 5 1HB SER 5 -8.183 -12.450 -13.587 20 HB3 SER 5 2HB SER 5 -7.852 -13.306 -15.092 21 HG SER 5 HG SER 5 -10.142 -13.748 -13.477 22 H SER 6 H SER 6 -6.821 -14.050 -11.017 23 HA SER 6 HA SER 6 -9.349 -14.162 -9.634 24 HB2 SER 6 1HB SER 6 -8.648 -16.572 -9.855 25 HB3 SER 6 2HB SER 6 -7.228 -16.185 -8.883 26 HG SER 6 HG SER 6 -9.936 -15.871 -8.084 27 H GLY 7 H GLY 7 -8.883 -14.020 -7.148 28 HA2 GLY 7 1HA GLY 7 -7.115 -13.290 -5.552 29 HA3 GLY 7 2HA GLY 7 -6.619 -12.152 -6.796 30 H HIS 8 H HIS 8 -8.831 -12.805 -4.232 31 HA HIS 8 HA HIS 8 -10.379 -10.390 -4.774 32 HB2 HIS 8 1HB HIS 8 -10.680 -12.645 -2.799 33 HB3 HIS 8 2HB HIS 8 -11.632 -11.168 -2.673 34 HD1 HIS 8 HD1 HIS 8 -13.772 -12.632 -3.091 35 HD2 HIS 8 HD2 HIS 8 -11.088 -12.502 -6.260 36 HE1 HIS 8 HE1 HIS 8 -15.035 -13.517 -5.078 37 H LEU 9 H LEU 9 -7.625 -10.066 -4.115 38 HA LEU 9 HA LEU 9 -7.929 -8.350 -1.783 39 HB2 LEU 9 1HB LEU 9 -5.962 -10.610 -1.981 40 HB3 LEU 9 2HB LEU 9 -5.674 -9.215 -0.943 41 HG LEU 9 HG LEU 9 -8.170 -10.857 -0.672 42 HD11 LEU 9 1HD1 LEU 9 -6.959 -12.617 -0.060 43 HD12 LEU 9 2HD1 LEU 9 -6.455 -11.673 1.341 44 HD13 LEU 9 3HD1 LEU 9 -5.456 -11.696 -0.111 45 HD21 LEU 9 3HD2 LEU 9 -6.677 -9.474 1.514 46 HD22 LEU 9 1HD2 LEU 9 -8.399 -9.831 1.379 47 HD23 LEU 9 2HD2 LEU 9 -7.690 -8.536 0.414 48 H TYR 10 H TYR 10 -5.755 -7.121 -1.437 49 HA TYR 10 HA TYR 10 -4.472 -6.568 -4.019 50 HB2 TYR 10 1HB TYR 10 -5.359 -4.364 -2.160 51 HB3 TYR 10 2HB TYR 10 -4.747 -4.211 -3.803 52 HD1 TYR 10 HD2 TYR 10 -6.172 -5.064 -5.709 53 HD2 TYR 10 HD1 TYR 10 -7.662 -4.644 -1.746 54 HE1 TYR 10 HE2 TYR 10 -8.473 -5.110 -6.575 55 HE2 TYR 10 HE1 TYR 10 -9.968 -4.690 -2.601 56 HH TYR 10 HH TYR 10 -10.641 -4.746 -6.065 57 H TYR 11 H TYR 11 -2.388 -6.972 -3.724 58 HA TYR 11 HA TYR 11 -1.167 -6.736 -1.113 59 HB2 TYR 11 1HB TYR 11 -0.163 -7.672 -3.797 60 HB3 TYR 11 2HB TYR 11 0.898 -7.512 -2.402 61 HD1 TYR 11 HD1 TYR 11 -2.389 -9.060 -3.293 62 HD2 TYR 11 HD2 TYR 11 1.249 -9.390 -1.111 63 HE1 TYR 11 HE1 TYR 11 -3.050 -11.307 -2.542 64 HE2 TYR 11 HE2 TYR 11 0.599 -11.639 -0.356 65 HH TYR 11 HH TYR 11 -1.933 -13.381 -1.734 66 H CYS 12 H CYS 12 0.790 -5.522 -0.730 67 HA CYS 12 HA CYS 12 0.610 -2.855 -1.766 68 HB2 CYS 12 1HB CYS 12 1.186 -3.112 0.547 69 HB3 CYS 12 2HB CYS 12 2.531 -4.177 0.153 70 H SER 13 H SER 13 2.331 -1.686 -2.790 71 HA SER 13 HA SER 13 3.508 -3.123 -4.943 72 HB2 SER 13 1HB SER 13 4.423 -0.988 -5.635 73 HB3 SER 13 2HB SER 13 2.766 -0.743 -5.083 74 HG SER 13 HG SER 13 3.699 -0.110 -3.036 75 H GLN 14 H GLN 14 4.824 -1.601 -2.021 76 HA GLN 14 HA GLN 14 7.510 -2.455 -2.613 77 HB2 GLN 14 1HB GLN 14 6.178 -0.912 -0.448 78 HB3 GLN 14 2HB GLN 14 7.702 -1.698 -0.060 79 HG2 GLN 14 1HG GLN 14 8.732 -0.540 -1.995 80 HG3 GLN 14 2HG GLN 14 7.214 0.325 -2.231 81 HE21 GLN 14 1HE2 GLN 14 8.391 2.273 -1.923 82 HE22 GLN 14 2HE2 GLN 14 8.804 2.810 -0.334 83 H CYS 15 H CYS 15 5.649 -3.004 0.366 84 HA CYS 15 HA CYS 15 6.976 -5.549 0.739 85 HB2 CYS 15 1HB CYS 15 5.830 -5.598 2.899 86 HB3 CYS 15 2HB CYS 15 6.622 -4.044 2.653 87 H HIS 16 H HIS 16 5.412 -7.331 1.698 88 HA HIS 16 HA HIS 16 3.447 -7.844 -0.409 89 HB2 HIS 16 1HB HIS 16 3.661 -10.145 0.085 90 HB3 HIS 16 2HB HIS 16 5.297 -9.501 0.187 91 HD1 HIS 16 HD1 HIS 16 6.025 -8.867 2.779 92 HD2 HIS 16 HD2 HIS 16 2.951 -11.610 2.243 93 HE1 HIS 16 HE1 HIS 16 5.844 -10.108 4.959 94 H TYR 17 H TYR 17 2.855 -5.989 1.729 95 HA TYR 17 HA TYR 17 1.066 -7.352 3.543 96 HB2 TYR 17 1HB TYR 17 2.174 -5.468 4.466 97 HB3 TYR 17 2HB TYR 17 1.757 -4.452 3.090 98 HD1 TYR 17 HD1 TYR 17 0.480 -6.023 6.162 99 HD2 TYR 17 HD2 TYR 17 -0.388 -3.377 2.945 100 HE1 TYR 17 HE1 TYR 17 -1.512 -5.225 7.364 101 HE2 TYR 17 HE2 TYR 17 -2.382 -2.571 4.138 102 HH TYR 17 HH TYR 17 -3.856 -4.085 6.487 103 H SER 18 H SER 18 -0.757 -8.142 2.703 104 HA SER 18 HA SER 18 -2.285 -6.449 0.838 105 HB2 SER 18 1HB SER 18 -1.617 -8.573 -0.162 106 HB3 SER 18 2HB SER 18 -2.334 -9.457 1.185 107 HG SER 18 HG SER 18 -4.344 -8.287 0.503 108 H SER 19 H SER 19 -4.230 -5.731 1.433 109 HA SER 19 HA SER 19 -5.688 -7.086 3.573 110 HB2 SER 19 1HB SER 19 -4.538 -4.344 3.714 111 HB3 SER 19 2HB SER 19 -6.153 -4.578 4.383 112 HG SER 19 HG SER 19 -4.990 -6.523 5.412 113 H ILE 20 H ILE 20 -7.916 -6.102 3.838 114 HA ILE 20 HA ILE 20 -9.084 -5.825 1.205 115 HB ILE 20 HB ILE 20 -11.169 -6.219 2.188 116 HG12 ILE 20 1HG1 ILE 20 -11.133 -4.501 3.899 117 HG13 ILE 20 2HG1 ILE 20 -11.576 -6.039 4.634 118 HG21 ILE 20 1HG2 ILE 20 -9.037 -7.903 2.748 119 HG22 ILE 20 2HG2 ILE 20 -9.923 -7.796 4.269 120 HG23 ILE 20 3HG2 ILE 20 -10.750 -8.318 2.801 121 HD11 ILE 20 3HD1 ILE 20 -10.045 -4.832 6.054 122 HD12 ILE 20 1HD1 ILE 20 -9.274 -6.294 5.438 123 HD13 ILE 20 2HD1 ILE 20 -8.873 -4.724 4.741 124 H THR 21 H THR 21 -10.667 -4.153 0.712 125 HA THR 21 HA THR 21 -11.410 -2.000 0.574 126 HB THR 21 HB THR 21 -10.130 -1.431 3.243 127 HG1 THR 21 HG1 THR 21 -11.917 -2.291 4.217 128 HG21 THR 21 3HG2 THR 21 -12.753 -0.326 2.439 129 HG22 THR 21 1HG2 THR 21 -11.348 0.270 1.558 130 HG23 THR 21 2HG2 THR 21 -11.423 0.434 3.312 131 H LYS 22 H LYS 22 -9.277 -2.465 -0.881 132 HA LYS 22 HA LYS 22 -6.849 -1.395 -0.584 133 HB2 LYS 22 1HB LYS 22 -6.867 -0.753 -2.958 134 HB3 LYS 22 2HB LYS 22 -7.611 -2.326 -2.703 135 HG2 LYS 22 1HG LYS 22 -9.732 -1.549 -3.174 136 HG3 LYS 22 2HG LYS 22 -9.312 0.125 -2.805 137 HD2 LYS 22 1HD LYS 22 -9.351 0.244 -5.084 138 HD3 LYS 22 2HD LYS 22 -7.665 -0.224 -4.851 139 HE2 LYS 22 1HE LYS 22 -8.341 -1.715 -6.473 140 HE3 LYS 22 2HE LYS 22 -8.606 -2.648 -5.001 141 HZ1 LYS 22 3HZ LYS 22 -10.465 -2.009 -6.965 142 HZ2 LYS 22 1HZ LYS 22 -10.913 -1.141 -5.582 143 HZ3 LYS 22 2HZ LYS 22 -10.740 -2.822 -5.507 144 H ASN 23 H ASN 23 -9.820 0.440 -0.786 145 HA ASN 23 HA ASN 23 -9.113 2.968 -1.358 146 HB2 ASN 23 1HB ASN 23 -11.364 2.169 -0.532 147 HB3 ASN 23 2HB ASN 23 -10.738 2.320 1.106 148 HD21 ASN 23 1HD2 ASN 23 -10.793 4.249 -1.876 149 HD22 ASN 23 2HD2 ASN 23 -11.255 5.727 -1.110 150 H CYS 24 H CYS 24 -8.489 1.361 1.740 151 HA CYS 24 HA CYS 24 -7.061 3.670 2.755 152 HB2 CYS 24 1HB CYS 24 -7.622 0.935 3.908 153 HB3 CYS 24 2HB CYS 24 -6.657 2.149 4.738 154 HG CYS 24 HG CYS 24 -9.631 3.295 3.745 155 H LEU 25 H LEU 25 -6.352 0.481 1.467 156 HA LEU 25 HA LEU 25 -3.785 0.001 2.145 157 HB2 LEU 25 1HB LEU 25 -5.000 -1.448 0.655 158 HB3 LEU 25 2HB LEU 25 -5.004 -0.213 -0.602 159 HG LEU 25 HG LEU 25 -2.542 -0.440 -0.771 160 HD11 LEU 25 1HD1 LEU 25 -1.605 -2.577 0.238 161 HD12 LEU 25 2HD1 LEU 25 -3.019 -2.570 1.291 162 HD13 LEU 25 3HD1 LEU 25 -1.879 -1.226 1.339 163 HD21 LEU 25 3HD2 LEU 25 -4.136 -2.971 -1.161 164 HD22 LEU 25 1HD2 LEU 25 -2.571 -2.626 -1.898 165 HD23 LEU 25 2HD2 LEU 25 -3.976 -1.643 -2.312 166 H LYS 26 H LYS 26 -4.901 2.483 -0.073 167 HA LYS 26 HA LYS 26 -2.479 3.224 -1.229 168 HB2 LYS 26 1HB LYS 26 -4.559 4.107 -2.064 169 HB3 LYS 26 2HB LYS 26 -4.899 4.890 -0.527 170 HG2 LYS 26 1HG LYS 26 -3.368 6.572 -0.890 171 HG3 LYS 26 2HG LYS 26 -2.430 5.614 -2.038 172 HD2 LYS 26 1HD LYS 26 -3.494 7.067 -3.463 173 HD3 LYS 26 2HD LYS 26 -4.641 5.726 -3.451 174 HE2 LYS 26 1HE LYS 26 -6.172 6.871 -2.181 175 HE3 LYS 26 2HE LYS 26 -4.946 7.887 -1.425 176 HZ1 LYS 26 3HZ LYS 26 -6.470 8.985 -3.096 177 HZ2 LYS 26 1HZ LYS 26 -5.632 8.130 -4.292 178 HZ3 LYS 26 2HZ LYS 26 -4.811 9.239 -3.313 179 H ARG 27 H ARG 27 -3.964 4.282 1.809 180 HA ARG 27 HA ARG 27 -2.079 6.242 2.487 181 HB2 ARG 27 1HB ARG 27 -4.054 4.600 4.009 182 HB3 ARG 27 2HB ARG 27 -2.843 5.500 4.912 183 HG2 ARG 27 1HG ARG 27 -3.582 7.564 3.765 184 HG3 ARG 27 2HG ARG 27 -4.862 6.630 2.987 185 HD2 ARG 27 1HD ARG 27 -5.974 7.502 4.805 186 HD3 ARG 27 2HD ARG 27 -5.452 5.938 5.431 187 HE ARG 27 HE ARG 27 -4.041 7.020 6.888 188 HH11 ARG 27 1HH1 ARG 27 -5.222 9.272 4.510 189 HH12 ARG 27 2HH1 ARG 27 -4.598 10.665 5.330 190 HH21 ARG 27 1HH2 ARG 27 -3.215 8.846 7.976 191 HH22 ARG 27 2HH2 ARG 27 -3.455 10.422 7.300 192 H HIS 28 H HIS 28 -2.286 2.858 3.600 193 HA HIS 28 HA HIS 28 -0.153 2.595 5.200 194 HB2 HIS 28 1HB HIS 28 -1.216 0.582 4.855 195 HB3 HIS 28 2HB HIS 28 -1.281 0.793 3.108 196 HD1 HIS 28 HD1 HIS 28 0.374 -1.152 5.586 197 HD2 HIS 28 HD2 HIS 28 1.510 0.549 1.969 198 HE1 HIS 28 HE1 HIS 28 2.445 -2.392 4.880 199 H VAL 29 H VAL 29 0.025 2.720 1.661 200 HA VAL 29 HA VAL 29 2.790 2.319 1.414 201 HB VAL 29 HB VAL 29 0.918 3.873 -0.376 202 HG11 VAL 29 1HG1 VAL 29 2.960 4.637 -1.099 203 HG12 VAL 29 2HG1 VAL 29 3.801 3.156 -0.633 204 HG13 VAL 29 3HG1 VAL 29 2.786 3.179 -2.076 205 HG21 VAL 29 3HG2 VAL 29 0.131 1.696 -0.409 206 HG22 VAL 29 1HG2 VAL 29 1.270 1.700 -1.756 207 HG23 VAL 29 2HG2 VAL 29 1.739 1.002 -0.206 208 H ILE 30 H ILE 30 0.895 5.288 1.790 209 HA ILE 30 HA ILE 30 3.108 7.054 1.558 210 HB ILE 30 HB ILE 30 0.423 7.508 2.864 211 HG12 ILE 30 1HG1 ILE 30 1.280 8.511 0.164 212 HG13 ILE 30 2HG1 ILE 30 0.607 6.895 0.347 213 HG21 ILE 30 1HG2 ILE 30 1.141 9.514 3.482 214 HG22 ILE 30 2HG2 ILE 30 2.756 9.093 2.915 215 HG23 ILE 30 3HG2 ILE 30 1.617 9.880 1.824 216 HD11 ILE 30 3HD1 ILE 30 -1.234 8.158 -0.213 217 HD12 ILE 30 1HD1 ILE 30 -1.334 8.106 1.546 218 HD13 ILE 30 2HD1 ILE 30 -0.705 9.544 0.740 219 H GLN 31 H GLN 31 1.580 5.392 4.244 220 HA GLN 31 HA GLN 31 3.114 6.819 6.233 221 HB2 GLN 31 1HB GLN 31 0.733 5.728 6.437 222 HB3 GLN 31 2HB GLN 31 1.650 4.274 6.809 223 HG2 GLN 31 1HG GLN 31 2.276 6.785 8.276 224 HG3 GLN 31 2HG GLN 31 0.826 5.878 8.704 225 HE21 GLN 31 1HE2 GLN 31 1.010 4.037 9.857 226 HE22 GLN 31 2HE2 GLN 31 2.508 3.385 10.418 227 H LYS 32 H LYS 32 2.823 3.326 5.581 228 HA LYS 32 HA LYS 32 5.183 2.590 6.869 229 HB2 LYS 32 1HB LYS 32 3.787 1.224 4.560 230 HB3 LYS 32 2HB LYS 32 5.016 0.485 5.578 231 HG2 LYS 32 1HG LYS 32 2.501 1.604 6.756 232 HG3 LYS 32 2HG LYS 32 2.552 -0.022 6.068 233 HD2 LYS 32 1HD LYS 32 4.704 -0.201 7.606 234 HD3 LYS 32 2HD LYS 32 3.861 1.059 8.511 235 HE2 LYS 32 1HE LYS 32 2.672 -1.604 7.739 236 HE3 LYS 32 2HE LYS 32 3.364 -1.230 9.317 237 HZ1 LYS 32 3HZ LYS 32 1.687 0.681 9.326 238 HZ2 LYS 32 1HZ LYS 32 1.103 -0.883 9.598 239 HZ3 LYS 32 2HZ LYS 32 0.907 -0.159 8.082 240 H HIS 33 H HIS 33 4.624 3.744 3.614 241 HA HIS 33 HA HIS 33 7.535 3.746 3.181 242 HB2 HIS 33 1HB HIS 33 5.612 3.401 0.900 243 HB3 HIS 33 2HB HIS 33 7.330 3.019 0.965 244 HD1 HIS 33 HD1 HIS 33 7.639 1.103 3.168 245 HD2 HIS 33 HD2 HIS 33 4.268 1.074 0.740 246 HE1 HIS 33 HE1 HIS 33 6.676 -1.210 3.383 247 H SER 34 H SER 34 7.997 5.228 1.156 248 HA SER 34 HA SER 34 6.493 7.727 1.582 249 HB2 SER 34 1HB SER 34 9.410 7.174 1.280 250 HB3 SER 34 2HB SER 34 8.782 8.690 0.634 251 HG SER 34 HG SER 34 9.518 8.505 2.979 252 H ASN 35 H ASN 35 5.242 8.207 -0.088 253 HA ASN 35 HA ASN 35 5.923 7.226 -2.750 254 HB2 ASN 35 1HB ASN 35 3.646 6.834 -2.045 255 HB3 ASN 35 2HB ASN 35 3.426 8.538 -1.660 256 HD21 ASN 35 1HD2 ASN 35 2.016 9.314 -3.056 257 HD22 ASN 35 2HD2 ASN 35 2.067 9.104 -4.770 258 H ILE 36 H ILE 36 7.534 8.557 -3.489 259 HA ILE 36 HA ILE 36 7.179 11.443 -3.387 260 HB ILE 36 HB ILE 36 9.408 10.469 -2.948 261 HG12 ILE 36 1HG1 ILE 36 9.439 12.090 -5.496 262 HG13 ILE 36 2HG1 ILE 36 9.046 12.781 -3.926 263 HG21 ILE 36 1HG2 ILE 36 10.643 9.292 -4.521 264 HG22 ILE 36 2HG2 ILE 36 9.017 8.646 -4.735 265 HG23 ILE 36 3HG2 ILE 36 9.646 9.845 -5.866 266 HD11 ILE 36 3HD1 ILE 36 11.546 12.598 -5.051 267 HD12 ILE 36 1HD1 ILE 36 11.185 12.927 -3.357 268 HD13 ILE 36 2HD1 ILE 36 11.524 11.278 -3.882 269 H LEU 37 H LEU 37 6.386 12.627 -4.998 270 HA LEU 37 HA LEU 37 5.399 11.395 -7.371 271 HB2 LEU 37 1HB LEU 37 5.460 14.158 -6.265 272 HB3 LEU 37 2HB LEU 37 5.101 13.942 -7.977 273 HG LEU 37 HG LEU 37 3.076 14.163 -6.600 274 HD11 LEU 37 1HD1 LEU 37 2.264 13.008 -8.319 275 HD12 LEU 37 2HD1 LEU 37 2.378 11.579 -7.293 276 HD13 LEU 37 3HD1 LEU 37 3.693 11.976 -8.399 277 HD21 LEU 37 3HD2 LEU 37 3.719 13.228 -4.524 278 HD22 LEU 37 1HD2 LEU 37 4.164 11.693 -5.271 279 HD23 LEU 37 2HD2 LEU 37 2.468 12.169 -5.176 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -8.431 -29.818 -3.356 2 HA2 GLY 1 1HA GLY 1 -8.276 -30.898 -5.722 3 HA3 GLY 1 2HA GLY 1 -9.995 -30.529 -5.737 4 H SER 2 H SER 2 -7.141 -28.719 -4.611 5 HA SER 2 HA SER 2 -7.141 -26.854 -6.720 6 HB2 SER 2 1HB SER 2 -8.026 -24.879 -5.460 7 HB3 SER 2 2HB SER 2 -9.257 -26.081 -5.845 8 HG SER 2 HG SER 2 -7.951 -25.688 -3.357 9 H SER 3 H SER 3 -5.401 -25.468 -6.601 10 HA SER 3 HA SER 3 -3.551 -25.995 -4.401 11 HB2 SER 3 1HB SER 3 -1.839 -25.018 -5.875 12 HB3 SER 3 2HB SER 3 -2.713 -26.315 -6.688 13 HG SER 3 HG SER 3 -3.014 -23.521 -7.034 14 H GLY 4 H GLY 4 -5.182 -23.328 -6.038 15 HA2 GLY 4 1HA GLY 4 -5.025 -21.710 -3.665 16 HA3 GLY 4 2HA GLY 4 -3.994 -21.121 -4.960 17 H SER 5 H SER 5 -7.204 -21.380 -3.763 18 HA SER 5 HA SER 5 -8.138 -19.709 -5.993 19 HB2 SER 5 1HB SER 5 -10.280 -20.892 -6.023 20 HB3 SER 5 2HB SER 5 -8.958 -22.015 -6.341 21 HG SER 5 HG SER 5 -10.781 -22.342 -4.572 22 H SER 6 H SER 6 -7.231 -18.725 -3.572 23 HA SER 6 HA SER 6 -9.657 -17.464 -2.577 24 HB2 SER 6 1HB SER 6 -9.176 -19.484 -1.117 25 HB3 SER 6 2HB SER 6 -7.693 -18.669 -0.621 26 HG SER 6 HG SER 6 -10.337 -17.680 -0.312 27 H GLY 7 H GLY 7 -9.118 -15.629 -1.070 28 HA2 GLY 7 1HA GLY 7 -7.777 -13.844 -0.406 29 HA3 GLY 7 2HA GLY 7 -6.418 -14.590 -1.232 30 H HIS 8 H HIS 8 -9.189 -12.496 -1.564 31 HA HIS 8 HA HIS 8 -8.294 -11.765 -4.271 32 HB2 HIS 8 1HB HIS 8 -10.969 -11.194 -2.982 33 HB3 HIS 8 2HB HIS 8 -10.526 -10.899 -4.661 34 HD1 HIS 8 HD1 HIS 8 -12.599 -13.049 -3.000 35 HD2 HIS 8 HD2 HIS 8 -9.446 -13.736 -5.617 36 HE1 HIS 8 HE1 HIS 8 -12.986 -15.354 -3.928 37 H LEU 9 H LEU 9 -6.895 -10.810 -2.022 38 HA LEU 9 HA LEU 9 -7.785 -8.047 -1.679 39 HB2 LEU 9 1HB LEU 9 -5.736 -9.759 -0.317 40 HB3 LEU 9 2HB LEU 9 -5.746 -8.009 -0.113 41 HG LEU 9 HG LEU 9 -8.118 -9.746 0.537 42 HD11 LEU 9 1HD1 LEU 9 -7.380 -10.109 2.654 43 HD12 LEU 9 2HD1 LEU 9 -6.382 -8.656 2.678 44 HD13 LEU 9 3HD1 LEU 9 -5.824 -10.095 1.824 45 HD21 LEU 9 3HD2 LEU 9 -9.025 -7.874 1.551 46 HD22 LEU 9 1HD2 LEU 9 -8.247 -7.191 0.123 47 HD23 LEU 9 2HD2 LEU 9 -7.463 -7.068 1.698 48 H TYR 10 H TYR 10 -5.828 -6.445 -1.563 49 HA TYR 10 HA TYR 10 -4.369 -6.748 -4.096 50 HB2 TYR 10 1HB TYR 10 -5.192 -4.306 -2.524 51 HB3 TYR 10 2HB TYR 10 -4.071 -4.235 -3.879 52 HD1 TYR 10 HD1 TYR 10 -7.497 -5.438 -3.016 53 HD2 TYR 10 HD2 TYR 10 -4.901 -3.908 -6.020 54 HE1 TYR 10 HE1 TYR 10 -9.396 -5.285 -4.571 55 HE2 TYR 10 HE2 TYR 10 -6.793 -3.750 -7.583 56 HH TYR 10 HH TYR 10 -10.047 -4.816 -6.642 57 H TYR 11 H TYR 11 -2.177 -6.554 -4.200 58 HA TYR 11 HA TYR 11 -0.761 -6.648 -1.640 59 HB2 TYR 11 1HB TYR 11 0.485 -7.185 -4.323 60 HB3 TYR 11 2HB TYR 11 0.977 -7.781 -2.742 61 HD1 TYR 11 HD2 TYR 11 -1.087 -9.142 -1.545 62 HD2 TYR 11 HD1 TYR 11 -0.388 -8.780 -5.727 63 HE1 TYR 11 HE2 TYR 11 -2.351 -11.216 -1.930 64 HE2 TYR 11 HE1 TYR 11 -1.652 -10.853 -6.123 65 HH TYR 11 HH TYR 11 -2.934 -12.431 -5.210 66 H CYS 12 H CYS 12 0.389 -4.984 -0.929 67 HA CYS 12 HA CYS 12 0.434 -2.481 -2.083 68 HB2 CYS 12 1HB CYS 12 0.986 -2.565 0.193 69 HB3 CYS 12 2HB CYS 12 2.215 -3.801 -0.054 70 H SER 13 H SER 13 2.052 -1.258 -3.145 71 HA SER 13 HA SER 13 3.353 -2.635 -5.249 72 HB2 SER 13 1HB SER 13 2.501 -0.151 -5.081 73 HB3 SER 13 2HB SER 13 4.133 0.155 -4.485 74 HG SER 13 HG SER 13 3.343 -0.135 -6.994 75 H GLN 14 H GLN 14 4.622 -0.918 -2.401 76 HA GLN 14 HA GLN 14 7.332 -1.581 -2.904 77 HB2 GLN 14 1HB GLN 14 5.803 -0.419 -0.631 78 HB3 GLN 14 2HB GLN 14 7.398 -1.075 -0.287 79 HG2 GLN 14 1HG GLN 14 7.966 1.071 -0.749 80 HG3 GLN 14 2HG GLN 14 8.070 0.389 -2.372 81 HE21 GLN 14 1HE2 GLN 14 6.061 0.554 -3.682 82 HE22 GLN 14 2HE2 GLN 14 5.135 2.006 -3.548 83 H CYS 15 H CYS 15 5.312 -2.685 -0.180 84 HA CYS 15 HA CYS 15 6.854 -5.181 -0.148 85 HB2 CYS 15 1HB CYS 15 6.176 -5.449 2.129 86 HB3 CYS 15 2HB CYS 15 6.691 -3.776 1.937 87 H HIS 16 H HIS 16 5.406 -7.056 0.829 88 HA HIS 16 HA HIS 16 3.223 -7.392 -1.076 89 HB2 HIS 16 1HB HIS 16 3.353 -9.745 -0.581 90 HB3 HIS 16 2HB HIS 16 4.990 -9.145 -0.828 91 HD1 HIS 16 HD1 HIS 16 2.759 -10.650 1.728 92 HD2 HIS 16 HD2 HIS 16 6.594 -9.067 1.506 93 HE1 HIS 16 HE1 HIS 16 3.899 -11.350 3.857 94 H TYR 17 H TYR 17 2.887 -5.636 1.212 95 HA TYR 17 HA TYR 17 1.207 -7.035 3.096 96 HB2 TYR 17 1HB TYR 17 2.547 -5.163 3.878 97 HB3 TYR 17 2HB TYR 17 1.772 -4.086 2.722 98 HD1 TYR 17 HD2 TYR 17 -0.732 -3.667 2.978 99 HD2 TYR 17 HD1 TYR 17 1.633 -5.483 6.013 100 HE1 TYR 17 HE2 TYR 17 -2.454 -3.112 4.644 101 HE2 TYR 17 HE1 TYR 17 -0.083 -4.934 7.688 102 HH TYR 17 HH TYR 17 -2.561 -2.751 7.132 103 H SER 18 H SER 18 -0.848 -7.514 2.752 104 HA SER 18 HA SER 18 -2.441 -5.751 1.012 105 HB2 SER 18 1HB SER 18 -3.587 -7.683 0.090 106 HB3 SER 18 2HB SER 18 -1.850 -7.880 -0.141 107 HG SER 18 HG SER 18 -2.184 -9.012 2.091 108 H SER 19 H SER 19 -4.301 -5.056 1.856 109 HA SER 19 HA SER 19 -5.538 -6.546 4.052 110 HB2 SER 19 1HB SER 19 -4.533 -3.719 4.173 111 HB3 SER 19 2HB SER 19 -5.922 -4.206 5.144 112 HG SER 19 HG SER 19 -4.502 -5.967 5.895 113 H ILE 20 H ILE 20 -7.764 -6.056 4.389 114 HA ILE 20 HA ILE 20 -9.257 -5.710 2.060 115 HB ILE 20 HB ILE 20 -11.224 -5.544 3.486 116 HG12 ILE 20 1HG1 ILE 20 -9.424 -5.545 5.899 117 HG13 ILE 20 2HG1 ILE 20 -9.977 -4.039 5.175 118 HG21 ILE 20 1HG2 ILE 20 -9.141 -7.541 4.328 119 HG22 ILE 20 2HG2 ILE 20 -10.811 -7.610 4.888 120 HG23 ILE 20 3HG2 ILE 20 -10.452 -7.752 3.168 121 HD11 ILE 20 3HD1 ILE 20 -12.185 -5.828 5.580 122 HD12 ILE 20 1HD1 ILE 20 -11.288 -5.590 7.079 123 HD13 ILE 20 2HD1 ILE 20 -11.927 -4.199 6.203 124 H THR 21 H THR 21 -10.687 -4.020 1.415 125 HA THR 21 HA THR 21 -11.354 -1.862 1.061 126 HB THR 21 HB THR 21 -9.768 -1.017 3.482 127 HG1 THR 21 HG1 THR 21 -12.505 -1.664 3.625 128 HG21 THR 21 3HG2 THR 21 -10.853 0.628 1.802 129 HG22 THR 21 1HG2 THR 21 -11.133 0.872 3.525 130 HG23 THR 21 2HG2 THR 21 -12.376 0.116 2.528 131 H LYS 22 H LYS 22 -9.377 -2.710 -0.479 132 HA LYS 22 HA LYS 22 -6.889 -1.700 -0.545 133 HB2 LYS 22 1HB LYS 22 -7.658 -3.000 -2.390 134 HB3 LYS 22 2HB LYS 22 -8.899 -1.820 -2.792 135 HG2 LYS 22 1HG LYS 22 -6.921 -0.214 -3.195 136 HG3 LYS 22 2HG LYS 22 -5.948 -1.686 -3.256 137 HD2 LYS 22 1HD LYS 22 -6.493 -1.473 -5.470 138 HD3 LYS 22 2HD LYS 22 -7.845 -2.463 -4.916 139 HE2 LYS 22 1HE LYS 22 -8.094 0.504 -4.805 140 HE3 LYS 22 2HE LYS 22 -8.236 -0.300 -6.368 141 HZ1 LYS 22 3HZ LYS 22 -9.788 -1.701 -4.504 142 HZ2 LYS 22 1HZ LYS 22 -10.307 -0.839 -5.864 143 HZ3 LYS 22 2HZ LYS 22 -10.173 -0.060 -4.369 144 H ASN 23 H ASN 23 -9.825 0.149 -0.807 145 HA ASN 23 HA ASN 23 -8.888 2.514 -1.922 146 HB2 ASN 23 1HB ASN 23 -11.227 2.304 -1.606 147 HB3 ASN 23 2HB ASN 23 -11.044 1.973 0.114 148 HD21 ASN 23 1HD2 ASN 23 -11.093 4.405 -2.351 149 HD22 ASN 23 2HD2 ASN 23 -11.175 5.769 -1.294 150 H CYS 24 H CYS 24 -8.959 1.539 1.496 151 HA CYS 24 HA CYS 24 -7.598 3.924 2.351 152 HB2 CYS 24 1HB CYS 24 -9.253 2.641 3.754 153 HB3 CYS 24 2HB CYS 24 -8.037 1.381 3.923 154 HG CYS 24 HG CYS 24 -8.480 3.566 6.042 155 H LEU 25 H LEU 25 -6.726 0.621 1.582 156 HA LEU 25 HA LEU 25 -4.311 0.219 2.707 157 HB2 LEU 25 1HB LEU 25 -5.225 -1.395 1.210 158 HB3 LEU 25 2HB LEU 25 -5.124 -0.277 -0.148 159 HG LEU 25 HG LEU 25 -2.652 -0.405 -0.012 160 HD11 LEU 25 1HD1 LEU 25 -3.033 -2.730 1.847 161 HD12 LEU 25 2HD1 LEU 25 -2.706 -1.102 2.438 162 HD13 LEU 25 3HD1 LEU 25 -1.538 -1.911 1.394 163 HD21 LEU 25 3HD2 LEU 25 -2.589 -2.218 -1.367 164 HD22 LEU 25 1HD2 LEU 25 -4.343 -2.064 -1.259 165 HD23 LEU 25 2HD2 LEU 25 -3.496 -3.230 -0.242 166 H LYS 26 H LYS 26 -4.880 2.220 -0.172 167 HA LYS 26 HA LYS 26 -2.437 2.936 -1.002 168 HB2 LYS 26 1HB LYS 26 -4.388 3.950 -1.970 169 HB3 LYS 26 2HB LYS 26 -4.770 4.778 -0.467 170 HG2 LYS 26 1HG LYS 26 -2.717 6.111 -0.703 171 HG3 LYS 26 2HG LYS 26 -2.397 5.309 -2.243 172 HD2 LYS 26 1HD LYS 26 -3.431 7.306 -2.865 173 HD3 LYS 26 2HD LYS 26 -4.742 6.125 -2.918 174 HE2 LYS 26 1HE LYS 26 -5.713 7.892 -1.783 175 HE3 LYS 26 2HE LYS 26 -5.162 6.857 -0.466 176 HZ1 LYS 26 3HZ LYS 26 -3.107 8.269 -0.424 177 HZ2 LYS 26 1HZ LYS 26 -4.525 9.045 0.076 178 HZ3 LYS 26 2HZ LYS 26 -3.897 9.342 -1.466 179 H ARG 27 H ARG 27 -3.977 4.168 1.940 180 HA ARG 27 HA ARG 27 -2.101 6.061 2.693 181 HB2 ARG 27 1HB ARG 27 -4.213 5.809 3.863 182 HB3 ARG 27 2HB ARG 27 -3.741 4.215 4.436 183 HG2 ARG 27 1HG ARG 27 -1.994 6.512 5.126 184 HG3 ARG 27 2HG ARG 27 -3.545 6.363 5.955 185 HD2 ARG 27 1HD ARG 27 -1.431 4.217 5.796 186 HD3 ARG 27 2HD ARG 27 -1.714 5.269 7.183 187 HE ARG 27 HE ARG 27 -4.030 3.779 6.341 188 HH11 ARG 27 1HH1 ARG 27 -1.171 3.778 8.329 189 HH12 ARG 27 2HH1 ARG 27 -1.783 2.593 9.435 190 HH21 ARG 27 1HH2 ARG 27 -4.846 2.219 7.791 191 HH22 ARG 27 2HH2 ARG 27 -3.873 1.706 9.128 192 H HIS 28 H HIS 28 -2.210 2.628 3.652 193 HA HIS 28 HA HIS 28 -0.040 2.388 5.236 194 HB2 HIS 28 1HB HIS 28 -1.083 0.365 4.898 195 HB3 HIS 28 2HB HIS 28 -1.201 0.594 3.156 196 HD1 HIS 28 HD1 HIS 28 0.556 -1.348 5.569 197 HD2 HIS 28 HD2 HIS 28 1.553 0.394 1.931 198 HE1 HIS 28 HE1 HIS 28 2.621 -2.553 4.790 199 H VAL 29 H VAL 29 0.038 2.566 1.697 200 HA VAL 29 HA VAL 29 2.816 2.221 1.396 201 HB VAL 29 HB VAL 29 0.912 3.736 -0.396 202 HG11 VAL 29 1HG1 VAL 29 3.242 2.411 -1.573 203 HG12 VAL 29 2HG1 VAL 29 2.562 4.008 -1.890 204 HG13 VAL 29 3HG1 VAL 29 3.636 3.763 -0.512 205 HG21 VAL 29 3HG2 VAL 29 0.082 1.539 -0.215 206 HG22 VAL 29 1HG2 VAL 29 1.019 1.559 -1.708 207 HG23 VAL 29 2HG2 VAL 29 1.699 0.838 -0.250 208 H ILE 30 H ILE 30 0.831 5.082 1.937 209 HA ILE 30 HA ILE 30 2.938 6.961 1.547 210 HB ILE 30 HB ILE 30 0.318 7.271 3.017 211 HG12 ILE 30 1HG1 ILE 30 0.913 8.448 0.333 212 HG13 ILE 30 2HG1 ILE 30 0.493 6.742 0.435 213 HG21 ILE 30 1HG2 ILE 30 1.259 9.148 3.792 214 HG22 ILE 30 2HG2 ILE 30 2.591 9.068 2.640 215 HG23 ILE 30 3HG2 ILE 30 1.043 9.758 2.152 216 HD11 ILE 30 3HD1 ILE 30 -1.648 7.262 0.534 217 HD12 ILE 30 1HD1 ILE 30 -1.371 8.228 1.983 218 HD13 ILE 30 2HD1 ILE 30 -1.228 8.968 0.388 219 H GLN 31 H GLN 31 1.707 5.171 4.293 220 HA GLN 31 HA GLN 31 3.337 6.661 6.176 221 HB2 GLN 31 1HB GLN 31 1.306 4.476 6.392 222 HB3 GLN 31 2HB GLN 31 2.424 4.741 7.723 223 HG2 GLN 31 1HG GLN 31 1.620 7.244 7.404 224 HG3 GLN 31 2HG GLN 31 0.203 6.435 6.739 225 HE21 GLN 31 1HE2 GLN 31 1.719 7.498 9.522 226 HE22 GLN 31 2HE2 GLN 31 0.741 6.676 10.685 227 H LYS 32 H LYS 32 3.000 3.171 5.518 228 HA LYS 32 HA LYS 32 5.398 2.388 6.680 229 HB2 LYS 32 1HB LYS 32 3.849 1.142 4.406 230 HB3 LYS 32 2HB LYS 32 5.202 0.358 5.210 231 HG2 LYS 32 1HG LYS 32 2.804 1.310 6.736 232 HG3 LYS 32 2HG LYS 32 2.848 -0.272 5.955 233 HD2 LYS 32 1HD LYS 32 4.564 -1.039 7.333 234 HD3 LYS 32 2HD LYS 32 5.047 0.593 7.799 235 HE2 LYS 32 1HE LYS 32 3.258 0.832 9.270 236 HE3 LYS 32 2HE LYS 32 2.337 -0.466 8.512 237 HZ1 LYS 32 3HZ LYS 32 3.363 -2.019 9.736 238 HZ2 LYS 32 1HZ LYS 32 3.735 -0.736 10.775 239 HZ3 LYS 32 2HZ LYS 32 4.876 -1.267 9.645 240 H HIS 33 H HIS 33 4.751 3.672 3.491 241 HA HIS 33 HA HIS 33 7.649 3.688 2.976 242 HB2 HIS 33 1HB HIS 33 5.580 3.361 0.805 243 HB3 HIS 33 2HB HIS 33 7.325 3.160 0.677 244 HD1 HIS 33 HD1 HIS 33 8.197 1.108 2.421 245 HD2 HIS 33 HD2 HIS 33 4.320 0.986 0.934 246 HE1 HIS 33 HE1 HIS 33 7.459 -1.284 2.663 247 H SER 34 H SER 34 8.294 5.357 1.365 248 HA SER 34 HA SER 34 6.574 7.740 1.599 249 HB2 SER 34 1HB SER 34 8.666 7.859 2.953 250 HB3 SER 34 2HB SER 34 9.599 7.689 1.466 251 HG SER 34 HG SER 34 8.078 9.616 0.877 252 H ASN 35 H ASN 35 6.269 9.008 -0.188 253 HA ASN 35 HA ASN 35 6.491 7.807 -2.722 254 HB2 ASN 35 1HB ASN 35 5.783 10.563 -1.768 255 HB3 ASN 35 2HB ASN 35 5.987 10.256 -3.490 256 HD21 ASN 35 1HD2 ASN 35 3.847 10.247 -0.950 257 HD22 ASN 35 2HD2 ASN 35 2.586 9.303 -1.661 258 H ILE 36 H ILE 36 7.512 9.074 -4.621 259 HA ILE 36 HA ILE 36 10.143 10.146 -3.898 260 HB ILE 36 HB ILE 36 11.254 8.799 -5.609 261 HG12 ILE 36 1HG1 ILE 36 8.755 7.132 -5.818 262 HG13 ILE 36 2HG1 ILE 36 9.055 8.476 -6.914 263 HG21 ILE 36 1HG2 ILE 36 10.571 8.009 -3.110 264 HG22 ILE 36 2HG2 ILE 36 9.954 6.664 -4.068 265 HG23 ILE 36 3HG2 ILE 36 11.655 7.114 -4.175 266 HD11 ILE 36 3HD1 ILE 36 10.953 6.178 -6.535 267 HD12 ILE 36 1HD1 ILE 36 9.712 6.239 -7.786 268 HD13 ILE 36 2HD1 ILE 36 11.011 7.432 -7.773 269 H LEU 37 H LEU 37 11.138 11.419 -5.546 270 HA LEU 37 HA LEU 37 9.531 13.224 -6.833 271 HB2 LEU 37 1HB LEU 37 12.333 12.312 -7.358 272 HB3 LEU 37 2HB LEU 37 11.577 13.522 -8.393 273 HG LEU 37 HG LEU 37 11.187 14.876 -6.282 274 HD11 LEU 37 1HD1 LEU 37 13.154 14.168 -4.614 275 HD12 LEU 37 2HD1 LEU 37 12.683 12.572 -5.197 276 HD13 LEU 37 3HD1 LEU 37 11.488 13.617 -4.429 277 HD21 LEU 37 3HD2 LEU 37 14.083 14.375 -6.925 278 HD22 LEU 37 1HD2 LEU 37 13.328 15.878 -6.396 279 HD23 LEU 37 2HD2 LEU 37 12.993 15.243 -8.007 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -5.254 -27.794 -4.603 2 HA2 GLY 1 1HA GLY 1 -6.028 -28.235 -7.409 3 HA3 GLY 1 2HA GLY 1 -6.928 -29.030 -6.126 4 H SER 2 H SER 2 -7.245 -27.142 -4.244 5 HA SER 2 HA SER 2 -9.421 -25.693 -4.982 6 HB2 SER 2 1HB SER 2 -9.055 -24.287 -3.025 7 HB3 SER 2 2HB SER 2 -8.621 -25.953 -2.646 8 HG SER 2 HG SER 2 -6.872 -24.956 -1.956 9 H SER 3 H SER 3 -9.665 -24.314 -6.605 10 HA SER 3 HA SER 3 -7.445 -22.600 -7.412 11 HB2 SER 3 1HB SER 3 -9.976 -23.529 -8.699 12 HB3 SER 3 2HB SER 3 -9.273 -22.005 -9.242 13 HG SER 3 HG SER 3 -7.858 -23.122 -10.299 14 H GLY 4 H GLY 4 -7.323 -20.881 -6.060 15 HA2 GLY 4 1HA GLY 4 -8.666 -18.594 -6.322 16 HA3 GLY 4 2HA GLY 4 -9.745 -19.480 -5.255 17 H SER 5 H SER 5 -9.357 -17.755 -3.725 18 HA SER 5 HA SER 5 -7.025 -18.334 -2.069 19 HB2 SER 5 1HB SER 5 -7.681 -15.628 -3.224 20 HB3 SER 5 2HB SER 5 -6.731 -15.802 -1.748 21 HG SER 5 HG SER 5 -5.090 -16.182 -2.985 22 H SER 6 H SER 6 -7.199 -17.180 0.081 23 HA SER 6 HA SER 6 -9.542 -17.877 1.377 24 HB2 SER 6 1HB SER 6 -7.381 -15.905 2.118 25 HB3 SER 6 2HB SER 6 -8.719 -16.288 3.201 26 HG SER 6 HG SER 6 -6.799 -18.096 2.152 27 H GLY 7 H GLY 7 -8.546 -14.679 0.187 28 HA2 GLY 7 1HA GLY 7 -11.314 -13.932 -0.182 29 HA3 GLY 7 2HA GLY 7 -10.496 -13.037 1.090 30 H HIS 8 H HIS 8 -11.475 -11.587 -0.922 31 HA HIS 8 HA HIS 8 -9.526 -11.208 -3.013 32 HB2 HIS 8 1HB HIS 8 -10.985 -9.463 -3.818 33 HB3 HIS 8 2HB HIS 8 -11.971 -10.850 -3.362 34 HD1 HIS 8 HD1 HIS 8 -12.904 -7.793 -3.497 35 HD2 HIS 8 HD2 HIS 8 -11.983 -9.963 -0.076 36 HE1 HIS 8 HE1 HIS 8 -14.123 -6.642 -1.622 37 H LEU 9 H LEU 9 -7.609 -10.627 -2.015 38 HA LEU 9 HA LEU 9 -7.622 -7.982 -0.717 39 HB2 LEU 9 1HB LEU 9 -5.765 -10.289 -0.156 40 HB3 LEU 9 2HB LEU 9 -5.686 -8.697 0.594 41 HG LEU 9 HG LEU 9 -8.148 -10.378 0.877 42 HD11 LEU 9 1HD1 LEU 9 -6.125 -11.736 1.489 43 HD12 LEU 9 2HD1 LEU 9 -7.281 -11.472 2.794 44 HD13 LEU 9 3HD1 LEU 9 -5.788 -10.535 2.737 45 HD21 LEU 9 3HD2 LEU 9 -8.775 -8.707 2.193 46 HD22 LEU 9 1HD2 LEU 9 -7.287 -7.849 1.789 47 HD23 LEU 9 2HD2 LEU 9 -7.336 -8.919 3.191 48 H TYR 10 H TYR 10 -6.168 -6.495 -1.420 49 HA TYR 10 HA TYR 10 -4.845 -7.041 -3.927 50 HB2 TYR 10 1HB TYR 10 -5.284 -4.585 -2.258 51 HB3 TYR 10 2HB TYR 10 -4.116 -4.564 -3.575 52 HD1 TYR 10 HD1 TYR 10 -7.692 -5.088 -2.767 53 HD2 TYR 10 HD2 TYR 10 -4.822 -4.371 -5.825 54 HE1 TYR 10 HE1 TYR 10 -9.511 -4.641 -4.362 55 HE2 TYR 10 HE2 TYR 10 -6.632 -3.921 -7.427 56 HH TYR 10 HH TYR 10 -9.248 -4.723 -7.520 57 H TYR 11 H TYR 11 -2.569 -6.112 -4.214 58 HA TYR 11 HA TYR 11 -0.899 -6.893 -1.915 59 HB2 TYR 11 1HB TYR 11 0.140 -7.183 -4.697 60 HB3 TYR 11 2HB TYR 11 0.525 -8.114 -3.254 61 HD1 TYR 11 HD2 TYR 11 -1.757 -9.333 -2.290 62 HD2 TYR 11 HD1 TYR 11 -0.898 -8.395 -6.350 63 HE1 TYR 11 HE2 TYR 11 -3.296 -11.108 -3.019 64 HE2 TYR 11 HE1 TYR 11 -2.435 -10.166 -7.091 65 HH TYR 11 HH TYR 11 -4.664 -11.630 -5.066 66 H CYS 12 H CYS 12 0.252 -5.266 -1.143 67 HA CYS 12 HA CYS 12 0.394 -2.719 -2.219 68 HB2 CYS 12 1HB CYS 12 0.887 -3.123 0.115 69 HB3 CYS 12 2HB CYS 12 2.291 -4.097 -0.310 70 H SER 13 H SER 13 2.086 -1.541 -3.221 71 HA SER 13 HA SER 13 3.490 -3.071 -5.223 72 HB2 SER 13 1HB SER 13 3.122 -0.138 -4.677 73 HB3 SER 13 2HB SER 13 4.328 -0.685 -5.841 74 HG SER 13 HG SER 13 1.758 -1.748 -6.046 75 H GLN 14 H GLN 14 4.467 -0.755 -2.693 76 HA GLN 14 HA GLN 14 7.230 -1.099 -2.999 77 HB2 GLN 14 1HB GLN 14 5.531 -0.179 -0.692 78 HB3 GLN 14 2HB GLN 14 7.282 -0.277 -0.563 79 HG2 GLN 14 1HG GLN 14 5.982 1.252 -2.781 80 HG3 GLN 14 2HG GLN 14 6.213 1.969 -1.187 81 HE21 GLN 14 1HE2 GLN 14 7.971 3.141 -1.021 82 HE22 GLN 14 2HE2 GLN 14 9.454 2.891 -1.871 83 H CYS 15 H CYS 15 5.182 -2.402 -0.380 84 HA CYS 15 HA CYS 15 7.133 -4.580 -0.061 85 HB2 CYS 15 1HB CYS 15 6.418 -4.792 2.203 86 HB3 CYS 15 2HB CYS 15 6.637 -3.070 1.906 87 H HIS 16 H HIS 16 5.784 -6.503 1.169 88 HA HIS 16 HA HIS 16 3.786 -7.306 -0.825 89 HB2 HIS 16 1HB HIS 16 5.951 -8.668 -0.204 90 HB3 HIS 16 2HB HIS 16 4.970 -9.215 1.153 91 HD1 HIS 16 HD1 HIS 16 5.715 -9.981 -2.289 92 HD2 HIS 16 HD2 HIS 16 2.434 -10.444 0.218 93 HE1 HIS 16 HE1 HIS 16 4.261 -11.710 -3.395 94 H TYR 17 H TYR 17 2.996 -5.518 1.203 95 HA TYR 17 HA TYR 17 1.598 -7.077 3.215 96 HB2 TYR 17 1HB TYR 17 2.521 -5.030 4.012 97 HB3 TYR 17 2HB TYR 17 1.819 -4.115 2.683 98 HD1 TYR 17 HD1 TYR 17 0.975 -6.014 5.756 99 HD2 TYR 17 HD2 TYR 17 -0.335 -3.177 2.867 100 HE1 TYR 17 HE1 TYR 17 -0.988 -5.509 7.150 101 HE2 TYR 17 HE2 TYR 17 -2.300 -2.664 4.253 102 HH TYR 17 HH TYR 17 -2.827 -2.853 6.842 103 H SER 18 H SER 18 -0.441 -7.740 3.064 104 HA SER 18 HA SER 18 -2.129 -6.580 0.943 105 HB2 SER 18 1HB SER 18 -2.192 -9.419 1.996 106 HB3 SER 18 2HB SER 18 -3.199 -8.766 0.705 107 HG SER 18 HG SER 18 -1.202 -8.345 -0.437 108 H SER 19 H SER 19 -4.028 -5.743 1.532 109 HA SER 19 HA SER 19 -5.257 -6.557 4.055 110 HB2 SER 19 1HB SER 19 -5.449 -4.350 4.919 111 HB3 SER 19 2HB SER 19 -3.766 -4.519 4.418 112 HG SER 19 HG SER 19 -4.729 -3.596 2.319 113 H ILE 20 H ILE 20 -7.471 -5.526 4.290 114 HA ILE 20 HA ILE 20 -8.835 -5.752 1.723 115 HB ILE 20 HB ILE 20 -9.632 -7.048 3.703 116 HG12 ILE 20 1HG1 ILE 20 -12.069 -6.353 3.412 117 HG13 ILE 20 2HG1 ILE 20 -11.475 -5.064 2.371 118 HG21 ILE 20 1HG2 ILE 20 -9.435 -5.763 5.584 119 HG22 ILE 20 2HG2 ILE 20 -9.969 -4.293 4.770 120 HG23 ILE 20 3HG2 ILE 20 -11.146 -5.523 5.228 121 HD11 ILE 20 3HD1 ILE 20 -11.845 -7.887 1.820 122 HD12 ILE 20 1HD1 ILE 20 -11.697 -6.522 0.713 123 HD13 ILE 20 2HD1 ILE 20 -10.249 -7.299 1.353 124 H THR 21 H THR 21 -10.319 -4.214 0.958 125 HA THR 21 HA THR 21 -11.246 -2.149 0.628 126 HB THR 21 HB THR 21 -10.083 -1.221 3.248 127 HG1 THR 21 HG1 THR 21 -12.362 -2.836 2.748 128 HG21 THR 21 3HG2 THR 21 -11.113 0.447 1.722 129 HG22 THR 21 1HG2 THR 21 -11.966 0.292 3.258 130 HG23 THR 21 2HG2 THR 21 -12.624 -0.459 1.805 131 H LYS 22 H LYS 22 -9.051 -2.599 -0.732 132 HA LYS 22 HA LYS 22 -6.708 -1.339 -0.485 133 HB2 LYS 22 1HB LYS 22 -6.653 -0.997 -2.890 134 HB3 LYS 22 2HB LYS 22 -7.425 -2.533 -2.521 135 HG2 LYS 22 1HG LYS 22 -9.562 -1.707 -3.044 136 HG3 LYS 22 2HG LYS 22 -9.005 -0.032 -3.028 137 HD2 LYS 22 1HD LYS 22 -7.951 -2.062 -4.982 138 HD3 LYS 22 2HD LYS 22 -9.392 -1.096 -5.308 139 HE2 LYS 22 1HE LYS 22 -8.155 0.929 -5.216 140 HE3 LYS 22 2HE LYS 22 -6.739 0.112 -4.556 141 HZ1 LYS 22 3HZ LYS 22 -6.028 -0.057 -6.636 142 HZ2 LYS 22 1HZ LYS 22 -7.504 0.471 -7.272 143 HZ3 LYS 22 2HZ LYS 22 -7.270 -1.168 -6.925 144 H ASN 23 H ASN 23 -9.790 0.252 -0.912 145 HA ASN 23 HA ASN 23 -9.206 2.765 -1.714 146 HB2 ASN 23 1HB ASN 23 -11.443 1.837 -0.894 147 HB3 ASN 23 2HB ASN 23 -10.923 2.304 0.723 148 HD21 ASN 23 1HD2 ASN 23 -12.608 3.268 -1.933 149 HD22 ASN 23 2HD2 ASN 23 -12.600 4.976 -1.672 150 H CYS 24 H CYS 24 -8.724 1.513 1.572 151 HA CYS 24 HA CYS 24 -7.448 3.986 2.402 152 HB2 CYS 24 1HB CYS 24 -8.951 2.760 3.945 153 HB3 CYS 24 2HB CYS 24 -7.833 1.402 3.927 154 HG CYS 24 HG CYS 24 -5.743 2.828 5.133 155 H LEU 25 H LEU 25 -6.576 0.723 1.498 156 HA LEU 25 HA LEU 25 -4.086 0.332 2.452 157 HB2 LEU 25 1HB LEU 25 -5.030 -1.275 0.992 158 HB3 LEU 25 2HB LEU 25 -5.120 -0.118 -0.335 159 HG LEU 25 HG LEU 25 -2.535 -0.116 -0.195 160 HD11 LEU 25 1HD1 LEU 25 -1.943 -2.621 0.475 161 HD12 LEU 25 2HD1 LEU 25 -3.283 -2.358 1.590 162 HD13 LEU 25 3HD1 LEU 25 -1.880 -1.291 1.632 163 HD21 LEU 25 3HD2 LEU 25 -4.339 -2.187 -1.347 164 HD22 LEU 25 1HD2 LEU 25 -2.594 -2.404 -1.484 165 HD23 LEU 25 2HD2 LEU 25 -3.359 -0.964 -2.158 166 H LYS 26 H LYS 26 -4.991 2.638 -0.038 167 HA LYS 26 HA LYS 26 -2.583 3.357 -1.118 168 HB2 LYS 26 1HB LYS 26 -4.908 4.307 -1.599 169 HB3 LYS 26 2HB LYS 26 -4.617 5.410 -0.260 170 HG2 LYS 26 1HG LYS 26 -3.046 6.607 -1.402 171 HG3 LYS 26 2HG LYS 26 -2.570 5.236 -2.406 172 HD2 LYS 26 1HD LYS 26 -3.708 6.755 -3.829 173 HD3 LYS 26 2HD LYS 26 -4.824 5.422 -3.524 174 HE2 LYS 26 1HE LYS 26 -6.068 6.713 -1.965 175 HE3 LYS 26 2HE LYS 26 -4.843 7.980 -1.937 176 HZ1 LYS 26 3HZ LYS 26 -5.616 8.889 -3.824 177 HZ2 LYS 26 1HZ LYS 26 -7.051 8.087 -3.421 178 HZ3 LYS 26 2HZ LYS 26 -5.983 7.401 -4.539 179 H ARG 27 H ARG 27 -3.953 4.480 1.957 180 HA ARG 27 HA ARG 27 -1.924 6.291 2.625 181 HB2 ARG 27 1HB ARG 27 -3.998 6.324 3.833 182 HB3 ARG 27 2HB ARG 27 -3.778 4.662 4.363 183 HG2 ARG 27 1HG ARG 27 -1.882 5.331 5.731 184 HG3 ARG 27 2HG ARG 27 -2.059 6.997 5.175 185 HD2 ARG 27 1HD ARG 27 -3.077 6.806 7.337 186 HD3 ARG 27 2HD ARG 27 -4.352 7.010 6.136 187 HE ARG 27 HE ARG 27 -5.173 4.984 6.768 188 HH11 ARG 27 1HH1 ARG 27 -1.810 5.133 7.655 189 HH12 ARG 27 2HH1 ARG 27 -1.819 3.598 8.460 190 HH21 ARG 27 1HH2 ARG 27 -5.198 2.962 7.825 191 HH22 ARG 27 2HH2 ARG 27 -3.747 2.364 8.555 192 H HIS 28 H HIS 28 -2.345 2.902 3.650 193 HA HIS 28 HA HIS 28 -0.239 2.460 5.250 194 HB2 HIS 28 1HB HIS 28 -1.415 0.525 4.849 195 HB3 HIS 28 2HB HIS 28 -1.480 0.798 3.110 196 HD1 HIS 28 HD1 HIS 28 0.145 -1.252 5.564 197 HD2 HIS 28 HD2 HIS 28 1.208 0.347 1.879 198 HE1 HIS 28 HE1 HIS 28 2.112 -2.610 4.784 199 H VAL 29 H VAL 29 -0.030 2.576 1.705 200 HA VAL 29 HA VAL 29 2.747 2.106 1.545 201 HB VAL 29 HB VAL 29 0.951 3.566 -0.397 202 HG11 VAL 29 1HG1 VAL 29 3.313 2.193 -1.434 203 HG12 VAL 29 2HG1 VAL 29 2.671 3.792 -1.813 204 HG13 VAL 29 3HG1 VAL 29 3.688 3.563 -0.390 205 HG21 VAL 29 3HG2 VAL 29 1.094 1.341 -1.610 206 HG22 VAL 29 1HG2 VAL 29 1.732 0.677 -0.106 207 HG23 VAL 29 2HG2 VAL 29 0.113 1.375 -0.145 208 H ILE 30 H ILE 30 0.841 5.054 1.852 209 HA ILE 30 HA ILE 30 3.024 6.843 1.462 210 HB ILE 30 HB ILE 30 0.404 7.362 2.873 211 HG12 ILE 30 1HG1 ILE 30 0.989 8.172 0.051 212 HG13 ILE 30 2HG1 ILE 30 0.479 6.520 0.381 213 HG21 ILE 30 1HG2 ILE 30 0.834 9.651 2.651 214 HG22 ILE 30 2HG2 ILE 30 2.365 8.969 3.196 215 HG23 ILE 30 3HG2 ILE 30 2.141 9.385 1.497 216 HD11 ILE 30 3HD1 ILE 30 -1.615 7.214 0.335 217 HD12 ILE 30 1HD1 ILE 30 -1.297 8.182 1.774 218 HD13 ILE 30 2HD1 ILE 30 -1.094 8.891 0.172 219 H GLN 31 H GLN 31 1.678 5.179 4.219 220 HA GLN 31 HA GLN 31 3.271 6.724 6.099 221 HB2 GLN 31 1HB GLN 31 1.092 4.711 6.305 222 HB3 GLN 31 2HB GLN 31 2.221 4.817 7.649 223 HG2 GLN 31 1HG GLN 31 0.861 7.254 6.564 224 HG3 GLN 31 2HG GLN 31 0.074 6.206 7.744 225 HE21 GLN 31 1HE2 GLN 31 0.063 8.010 9.171 226 HE22 GLN 31 2HE2 GLN 31 1.485 8.440 10.053 227 H LYS 32 H LYS 32 2.813 3.214 5.677 228 HA LYS 32 HA LYS 32 5.102 2.374 6.950 229 HB2 LYS 32 1HB LYS 32 3.844 1.092 4.517 230 HB3 LYS 32 2HB LYS 32 4.905 0.296 5.673 231 HG2 LYS 32 1HG LYS 32 2.411 1.575 6.669 232 HG3 LYS 32 2HG LYS 32 2.302 0.035 5.814 233 HD2 LYS 32 1HD LYS 32 3.627 -1.068 7.411 234 HD3 LYS 32 2HD LYS 32 4.216 0.450 8.093 235 HE2 LYS 32 1HE LYS 32 1.317 -0.338 8.183 236 HE3 LYS 32 2HE LYS 32 2.463 -0.824 9.431 237 HZ1 LYS 32 3HZ LYS 32 2.037 1.118 10.386 238 HZ2 LYS 32 1HZ LYS 32 1.177 1.687 9.045 239 HZ3 LYS 32 2HZ LYS 32 2.857 1.871 9.112 240 H HIS 33 H HIS 33 4.796 3.873 3.857 241 HA HIS 33 HA HIS 33 7.701 3.623 3.483 242 HB2 HIS 33 1HB HIS 33 5.953 3.726 1.067 243 HB3 HIS 33 2HB HIS 33 7.543 2.998 1.270 244 HD1 HIS 33 HD1 HIS 33 7.086 0.996 3.465 245 HD2 HIS 33 HD2 HIS 33 4.338 1.657 0.420 246 HE1 HIS 33 HE1 HIS 33 5.704 -1.101 3.339 247 H SER 34 H SER 34 8.597 5.565 3.522 248 HA SER 34 HA SER 34 7.676 7.726 1.927 249 HB2 SER 34 1HB SER 34 6.165 7.625 4.103 250 HB3 SER 34 2HB SER 34 7.551 8.440 4.826 251 HG SER 34 HG SER 34 7.357 9.966 3.036 252 H ASN 35 H ASN 35 9.114 9.526 1.950 253 HA ASN 35 HA ASN 35 11.812 8.797 2.535 254 HB2 ASN 35 1HB ASN 35 10.706 11.478 1.668 255 HB3 ASN 35 2HB ASN 35 12.394 10.980 1.602 256 HD21 ASN 35 1HD2 ASN 35 11.413 11.857 -0.664 257 HD22 ASN 35 2HD2 ASN 35 11.079 10.573 -1.770 258 H ILE 36 H ILE 36 12.893 9.085 4.364 259 HA ILE 36 HA ILE 36 11.704 10.650 6.503 260 HB ILE 36 HB ILE 36 14.260 9.046 6.569 261 HG12 ILE 36 1HG1 ILE 36 12.111 7.784 5.949 262 HG13 ILE 36 2HG1 ILE 36 13.042 7.171 7.310 263 HG21 ILE 36 1HG2 ILE 36 14.236 10.532 8.395 264 HG22 ILE 36 2HG2 ILE 36 12.517 10.271 8.686 265 HG23 ILE 36 3HG2 ILE 36 13.675 8.990 9.040 266 HD11 ILE 36 3HD1 ILE 36 10.722 9.031 7.681 267 HD12 ILE 36 1HD1 ILE 36 10.524 7.282 7.574 268 HD13 ILE 36 2HD1 ILE 36 11.496 7.983 8.869 269 H LEU 37 H LEU 37 13.959 11.123 4.041 270 HA LEU 37 HA LEU 37 15.863 12.775 5.275 271 HB2 LEU 37 1HB LEU 37 14.855 12.494 2.472 272 HB3 LEU 37 2HB LEU 37 15.994 13.775 2.883 273 HG LEU 37 HG LEU 37 16.546 10.854 3.375 274 HD11 LEU 37 1HD1 LEU 37 17.485 10.614 1.311 275 HD12 LEU 37 2HD1 LEU 37 17.806 12.338 1.130 276 HD13 LEU 37 3HD1 LEU 37 16.170 11.718 0.910 277 HD21 LEU 37 3HD2 LEU 37 18.808 11.544 3.666 278 HD22 LEU 37 1HD2 LEU 37 17.805 12.585 4.677 279 HD23 LEU 37 2HD2 LEU 37 18.437 13.189 3.145 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -15.525 -12.773 -18.310 2 HA2 GLY 1 1HA GLY 1 -14.455 -12.803 -15.737 3 HA3 GLY 1 2HA GLY 1 -16.112 -12.368 -16.129 4 H SER 2 H SER 2 -14.075 -14.663 -14.675 5 HA SER 2 HA SER 2 -16.104 -16.755 -14.644 6 HB2 SER 2 1HB SER 2 -13.246 -16.606 -13.704 7 HB3 SER 2 2HB SER 2 -14.298 -17.942 -13.235 8 HG SER 2 HG SER 2 -13.462 -17.192 -15.830 9 H SER 3 H SER 3 -17.678 -16.612 -13.197 10 HA SER 3 HA SER 3 -17.513 -14.988 -10.864 11 HB2 SER 3 1HB SER 3 -19.661 -15.262 -11.897 12 HB3 SER 3 2HB SER 3 -19.555 -17.019 -11.783 13 HG SER 3 HG SER 3 -20.017 -16.933 -9.689 14 H GLY 4 H GLY 4 -16.933 -15.485 -8.838 15 HA2 GLY 4 1HA GLY 4 -17.200 -17.927 -7.548 16 HA3 GLY 4 2HA GLY 4 -15.609 -17.939 -8.294 17 H SER 5 H SER 5 -17.679 -16.210 -6.019 18 HA SER 5 HA SER 5 -17.211 -14.972 -4.169 19 HB2 SER 5 1HB SER 5 -15.910 -17.002 -3.551 20 HB3 SER 5 2HB SER 5 -14.488 -16.290 -4.313 21 HG SER 5 HG SER 5 -15.820 -15.535 -1.961 22 H SER 6 H SER 6 -16.958 -13.652 -6.572 23 HA SER 6 HA SER 6 -14.587 -12.330 -7.105 24 HB2 SER 6 1HB SER 6 -17.452 -11.413 -7.389 25 HB3 SER 6 2HB SER 6 -16.084 -10.473 -7.986 26 HG SER 6 HG SER 6 -16.059 -11.728 -9.656 27 H GLY 7 H GLY 7 -13.415 -10.825 -6.098 28 HA2 GLY 7 1HA GLY 7 -13.450 -8.668 -4.894 29 HA3 GLY 7 2HA GLY 7 -14.678 -9.374 -3.853 30 H HIS 8 H HIS 8 -11.334 -8.951 -4.407 31 HA HIS 8 HA HIS 8 -10.756 -10.367 -1.911 32 HB2 HIS 8 1HB HIS 8 -8.965 -10.660 -4.320 33 HB3 HIS 8 2HB HIS 8 -8.886 -11.543 -2.799 34 HD1 HIS 8 HD1 HIS 8 -9.627 -12.269 -6.069 35 HD2 HIS 8 HD2 HIS 8 -11.764 -12.848 -2.552 36 HE1 HIS 8 HE1 HIS 8 -11.271 -14.104 -6.575 37 H LEU 9 H LEU 9 -8.845 -9.646 -0.837 38 HA LEU 9 HA LEU 9 -8.412 -6.855 -1.049 39 HB2 LEU 9 1HB LEU 9 -6.957 -9.001 0.482 40 HB3 LEU 9 2HB LEU 9 -6.599 -7.282 0.631 41 HG LEU 9 HG LEU 9 -9.131 -7.101 1.252 42 HD11 LEU 9 1HD1 LEU 9 -8.752 -9.945 1.054 43 HD12 LEU 9 2HD1 LEU 9 -10.231 -9.025 1.324 44 HD13 LEU 9 3HD1 LEU 9 -9.221 -9.490 2.692 45 HD21 LEU 9 3HD2 LEU 9 -7.529 -6.457 2.835 46 HD22 LEU 9 1HD2 LEU 9 -6.898 -8.097 2.995 47 HD23 LEU 9 2HD2 LEU 9 -8.485 -7.694 3.652 48 H TYR 10 H TYR 10 -6.314 -5.807 -1.362 49 HA TYR 10 HA TYR 10 -4.924 -6.986 -3.646 50 HB2 TYR 10 1HB TYR 10 -4.854 -4.190 -2.493 51 HB3 TYR 10 2HB TYR 10 -3.946 -4.710 -3.908 52 HD1 TYR 10 HD1 TYR 10 -7.446 -4.573 -2.614 53 HD2 TYR 10 HD2 TYR 10 -4.884 -4.435 -6.009 54 HE1 TYR 10 HE1 TYR 10 -9.376 -4.037 -4.041 55 HE2 TYR 10 HE2 TYR 10 -6.807 -3.897 -7.445 56 HH TYR 10 HH TYR 10 -9.719 -2.844 -6.302 57 H TYR 11 H TYR 11 -2.507 -6.457 -3.752 58 HA TYR 11 HA TYR 11 -1.261 -6.876 -1.117 59 HB2 TYR 11 1HB TYR 11 -0.268 -8.192 -3.642 60 HB3 TYR 11 2HB TYR 11 0.186 -8.548 -1.979 61 HD1 TYR 11 HD2 TYR 11 -2.059 -9.112 -0.485 62 HD2 TYR 11 HD1 TYR 11 -1.541 -9.818 -4.649 63 HE1 TYR 11 HE2 TYR 11 -3.769 -10.877 -0.392 64 HE2 TYR 11 HE1 TYR 11 -3.250 -11.585 -4.568 65 HH TYR 11 HH TYR 11 -5.440 -11.925 -2.361 66 H CYS 12 H CYS 12 0.113 -5.305 -0.660 67 HA CYS 12 HA CYS 12 0.843 -3.213 -2.273 68 HB2 CYS 12 1HB CYS 12 1.203 -3.580 0.270 69 HB3 CYS 12 2HB CYS 12 2.754 -4.264 -0.205 70 H SER 13 H SER 13 2.713 -2.655 -3.445 71 HA SER 13 HA SER 13 3.899 -4.894 -4.851 72 HB2 SER 13 1HB SER 13 4.255 -1.913 -5.248 73 HB3 SER 13 2HB SER 13 4.864 -3.169 -6.325 74 HG SER 13 HG SER 13 2.940 -2.520 -7.173 75 H GLN 14 H GLN 14 5.280 -1.932 -3.417 76 HA GLN 14 HA GLN 14 7.916 -2.638 -3.373 77 HB2 GLN 14 1HB GLN 14 6.326 -1.051 -1.361 78 HB3 GLN 14 2HB GLN 14 8.076 -1.201 -1.280 79 HG2 GLN 14 1HG GLN 14 8.414 0.090 -3.140 80 HG3 GLN 14 2HG GLN 14 6.831 -0.283 -3.820 81 HE21 GLN 14 1HE2 GLN 14 8.612 2.105 -2.523 82 HE22 GLN 14 2HE2 GLN 14 7.361 3.110 -1.884 83 H CYS 15 H CYS 15 5.457 -3.479 -0.964 84 HA CYS 15 HA CYS 15 7.336 -5.468 0.132 85 HB2 CYS 15 1HB CYS 15 6.385 -5.157 2.316 86 HB3 CYS 15 2HB CYS 15 6.827 -3.572 1.690 87 H HIS 16 H HIS 16 6.105 -7.251 1.344 88 HA HIS 16 HA HIS 16 3.960 -8.183 -0.425 89 HB2 HIS 16 1HB HIS 16 6.042 -9.536 1.222 90 HB3 HIS 16 2HB HIS 16 4.519 -10.382 0.967 91 HD1 HIS 16 HD1 HIS 16 7.428 -11.106 -0.228 92 HD2 HIS 16 HD2 HIS 16 4.230 -9.386 -2.246 93 HE1 HIS 16 HE1 HIS 16 7.804 -11.635 -2.657 94 H TYR 17 H TYR 17 2.975 -6.333 1.194 95 HA TYR 17 HA TYR 17 1.713 -7.789 3.421 96 HB2 TYR 17 1HB TYR 17 2.783 -5.940 4.374 97 HB3 TYR 17 2HB TYR 17 2.382 -4.888 3.021 98 HD1 TYR 17 HD1 TYR 17 0.666 -6.876 5.684 99 HD2 TYR 17 HD2 TYR 17 0.701 -3.336 3.323 100 HE1 TYR 17 HE1 TYR 17 -1.284 -6.036 6.925 101 HE2 TYR 17 HE2 TYR 17 -1.249 -2.486 4.559 102 HH TYR 17 HH TYR 17 -2.593 -4.252 7.312 103 H SER 18 H SER 18 -0.389 -8.222 3.307 104 HA SER 18 HA SER 18 -1.931 -7.059 1.104 105 HB2 SER 18 1HB SER 18 -3.332 -8.949 1.200 106 HB3 SER 18 2HB SER 18 -1.722 -9.599 1.509 107 HG SER 18 HG SER 18 -3.308 -10.375 2.990 108 H SER 19 H SER 19 -3.615 -5.735 1.421 109 HA SER 19 HA SER 19 -4.798 -5.518 4.089 110 HB2 SER 19 1HB SER 19 -2.964 -3.801 3.853 111 HB3 SER 19 2HB SER 19 -3.899 -3.077 2.545 112 HG SER 19 HG SER 19 -4.231 -2.162 4.698 113 H ILE 20 H ILE 20 -6.697 -3.863 3.962 114 HA ILE 20 HA ILE 20 -8.630 -4.883 2.245 115 HB ILE 20 HB ILE 20 -9.152 -3.646 4.313 116 HG12 ILE 20 1HG1 ILE 20 -10.480 -2.178 2.054 117 HG13 ILE 20 2HG1 ILE 20 -10.730 -3.908 2.258 118 HG21 ILE 20 1HG2 ILE 20 -9.061 -1.248 4.410 119 HG22 ILE 20 2HG2 ILE 20 -7.464 -1.858 3.981 120 HG23 ILE 20 3HG2 ILE 20 -8.503 -1.160 2.739 121 HD11 ILE 20 3HD1 ILE 20 -11.543 -3.480 4.546 122 HD12 ILE 20 1HD1 ILE 20 -11.380 -1.750 4.248 123 HD13 ILE 20 2HD1 ILE 20 -12.522 -2.705 3.301 124 H THR 21 H THR 21 -9.860 -3.714 0.572 125 HA THR 21 HA THR 21 -8.583 -3.201 -1.709 126 HB THR 21 HB THR 21 -11.022 -3.156 -1.560 127 HG1 THR 21 HG1 THR 21 -10.418 -0.642 -2.647 128 HG21 THR 21 3HG2 THR 21 -11.675 -0.518 -1.019 129 HG22 THR 21 1HG2 THR 21 -10.487 -0.923 0.218 130 HG23 THR 21 2HG2 THR 21 -11.945 -1.899 0.043 131 H LYS 22 H LYS 22 -7.788 -1.391 -2.863 132 HA LYS 22 HA LYS 22 -5.945 0.194 -1.636 133 HB2 LYS 22 1HB LYS 22 -7.488 0.481 -4.176 134 HB3 LYS 22 2HB LYS 22 -6.487 1.826 -3.648 135 HG2 LYS 22 1HG LYS 22 -4.518 0.487 -3.716 136 HG3 LYS 22 2HG LYS 22 -5.460 -0.981 -3.983 137 HD2 LYS 22 1HD LYS 22 -6.248 -0.011 -6.135 138 HD3 LYS 22 2HD LYS 22 -5.156 1.351 -5.873 139 HE2 LYS 22 1HE LYS 22 -4.221 -1.509 -5.919 140 HE3 LYS 22 2HE LYS 22 -4.307 -0.511 -7.370 141 HZ1 LYS 22 3HZ LYS 22 -2.092 -0.514 -6.349 142 HZ2 LYS 22 1HZ LYS 22 -2.738 0.165 -4.940 143 HZ3 LYS 22 2HZ LYS 22 -2.768 1.037 -6.389 144 H ASN 23 H ASN 23 -9.379 0.685 -1.768 145 HA ASN 23 HA ASN 23 -9.821 3.309 -1.388 146 HB2 ASN 23 1HB ASN 23 -11.528 1.464 -1.242 147 HB3 ASN 23 2HB ASN 23 -11.032 1.220 0.430 148 HD21 ASN 23 1HD2 ASN 23 -11.880 2.471 1.971 149 HD22 ASN 23 2HD2 ASN 23 -12.929 3.814 1.688 150 H CYS 24 H CYS 24 -8.450 1.114 1.009 151 HA CYS 24 HA CYS 24 -7.817 3.455 2.683 152 HB2 CYS 24 1HB CYS 24 -9.463 1.789 3.658 153 HB3 CYS 24 2HB CYS 24 -8.141 0.628 3.691 154 HG CYS 24 HG CYS 24 -6.563 2.174 5.435 155 H LEU 25 H LEU 25 -6.724 0.247 1.644 156 HA LEU 25 HA LEU 25 -4.291 -0.007 2.779 157 HB2 LEU 25 1HB LEU 25 -4.792 -1.729 1.356 158 HB3 LEU 25 2HB LEU 25 -5.309 -0.651 0.061 159 HG LEU 25 HG LEU 25 -2.890 -0.096 -0.313 160 HD11 LEU 25 1HD1 LEU 25 -2.519 -1.353 2.106 161 HD12 LEU 25 2HD1 LEU 25 -1.255 -0.926 0.953 162 HD13 LEU 25 3HD1 LEU 25 -1.951 -2.546 0.938 163 HD21 LEU 25 3HD2 LEU 25 -3.582 -1.513 -1.943 164 HD22 LEU 25 1HD2 LEU 25 -4.175 -2.718 -0.800 165 HD23 LEU 25 2HD2 LEU 25 -2.448 -2.596 -1.134 166 H LYS 26 H LYS 26 -5.020 2.039 -0.024 167 HA LYS 26 HA LYS 26 -2.651 2.930 -0.885 168 HB2 LYS 26 1HB LYS 26 -5.097 3.812 -1.306 169 HB3 LYS 26 2HB LYS 26 -4.631 5.045 -0.142 170 HG2 LYS 26 1HG LYS 26 -2.811 4.493 -2.426 171 HG3 LYS 26 2HG LYS 26 -4.297 5.399 -2.722 172 HD2 LYS 26 1HD LYS 26 -3.518 6.788 -0.650 173 HD3 LYS 26 2HD LYS 26 -1.931 6.123 -1.046 174 HE2 LYS 26 1HE LYS 26 -1.869 8.025 -2.303 175 HE3 LYS 26 2HE LYS 26 -2.599 6.928 -3.474 176 HZ1 LYS 26 3HZ LYS 26 -4.665 7.874 -3.205 177 HZ2 LYS 26 1HZ LYS 26 -3.660 9.227 -3.056 178 HZ3 LYS 26 2HZ LYS 26 -4.314 8.504 -1.674 179 H ARG 27 H ARG 27 -4.144 3.892 2.172 180 HA ARG 27 HA ARG 27 -2.329 5.861 2.941 181 HB2 ARG 27 1HB ARG 27 -3.957 3.922 4.583 182 HB3 ARG 27 2HB ARG 27 -3.009 5.220 5.296 183 HG2 ARG 27 1HG ARG 27 -5.157 5.681 3.244 184 HG3 ARG 27 2HG ARG 27 -5.447 5.704 4.984 185 HD2 ARG 27 1HD ARG 27 -3.255 7.381 3.860 186 HD3 ARG 27 2HD ARG 27 -4.923 7.917 3.666 187 HE ARG 27 HE ARG 27 -4.494 7.224 6.351 188 HH11 ARG 27 1HH1 ARG 27 -3.568 9.646 4.028 189 HH12 ARG 27 2HH1 ARG 27 -3.336 10.885 5.217 190 HH21 ARG 27 1HH2 ARG 27 -4.193 8.846 7.926 191 HH22 ARG 27 2HH2 ARG 27 -3.691 10.429 7.434 192 H HIS 28 H HIS 28 -2.277 2.369 3.617 193 HA HIS 28 HA HIS 28 -0.073 2.155 5.208 194 HB2 HIS 28 1HB HIS 28 -1.069 0.114 4.831 195 HB3 HIS 28 2HB HIS 28 -1.240 0.396 3.101 196 HD1 HIS 28 HD1 HIS 28 0.878 -1.268 5.569 197 HD2 HIS 28 HD2 HIS 28 1.241 0.012 1.633 198 HE1 HIS 28 HE1 HIS 28 2.893 -2.464 4.656 199 H VAL 29 H VAL 29 -0.111 2.496 1.684 200 HA VAL 29 HA VAL 29 2.691 2.259 1.332 201 HB VAL 29 HB VAL 29 0.781 3.741 -0.474 202 HG11 VAL 29 1HG1 VAL 29 2.356 3.513 -2.152 203 HG12 VAL 29 2HG1 VAL 29 3.365 3.819 -0.737 204 HG13 VAL 29 3HG1 VAL 29 3.173 2.174 -1.346 205 HG21 VAL 29 3HG2 VAL 29 1.458 0.802 -0.517 206 HG22 VAL 29 1HG2 VAL 29 -0.057 1.480 0.078 207 HG23 VAL 29 2HG2 VAL 29 0.379 1.654 -1.621 208 H ILE 30 H ILE 30 0.615 4.878 2.257 209 HA ILE 30 HA ILE 30 2.510 6.959 1.666 210 HB ILE 30 HB ILE 30 -0.038 6.966 3.282 211 HG12 ILE 30 1HG1 ILE 30 0.581 8.249 0.616 212 HG13 ILE 30 2HG1 ILE 30 -0.169 6.666 0.783 213 HG21 ILE 30 1HG2 ILE 30 1.592 8.644 4.104 214 HG22 ILE 30 2HG2 ILE 30 1.637 9.341 2.486 215 HG23 ILE 30 3HG2 ILE 30 0.137 9.362 3.413 216 HD11 ILE 30 3HD1 ILE 30 -2.039 7.909 0.558 217 HD12 ILE 30 1HD1 ILE 30 -1.840 8.067 2.303 218 HD13 ILE 30 2HD1 ILE 30 -1.293 9.357 1.233 219 H GLN 31 H GLN 31 1.582 5.070 4.483 220 HA GLN 31 HA GLN 31 3.248 6.608 6.273 221 HB2 GLN 31 1HB GLN 31 2.584 4.937 7.958 222 HB3 GLN 31 2HB GLN 31 1.196 5.628 7.129 223 HG2 GLN 31 1HG GLN 31 1.261 3.590 5.625 224 HG3 GLN 31 2HG GLN 31 2.399 2.902 6.782 225 HE21 GLN 31 1HE2 GLN 31 0.597 1.284 6.819 226 HE22 GLN 31 2HE2 GLN 31 -0.660 1.532 7.979 227 H LYS 32 H LYS 32 3.249 3.234 5.118 228 HA LYS 32 HA LYS 32 5.842 2.677 6.151 229 HB2 LYS 32 1HB LYS 32 4.044 1.258 4.194 230 HB3 LYS 32 2HB LYS 32 5.648 0.653 4.587 231 HG2 LYS 32 1HG LYS 32 3.643 1.232 6.734 232 HG3 LYS 32 2HG LYS 32 3.637 -0.299 5.856 233 HD2 LYS 32 1HD LYS 32 6.216 0.656 6.988 234 HD3 LYS 32 2HD LYS 32 5.005 0.021 8.104 235 HE2 LYS 32 1HE LYS 32 6.098 -1.915 7.597 236 HE3 LYS 32 2HE LYS 32 4.894 -1.919 6.309 237 HZ1 LYS 32 3HZ LYS 32 7.326 -2.346 5.698 238 HZ2 LYS 32 1HZ LYS 32 7.541 -0.681 5.900 239 HZ3 LYS 32 2HZ LYS 32 6.451 -1.258 4.744 240 H HIS 33 H HIS 33 4.608 3.705 3.019 241 HA HIS 33 HA HIS 33 7.392 4.081 2.129 242 HB2 HIS 33 1HB HIS 33 5.137 3.584 0.205 243 HB3 HIS 33 2HB HIS 33 6.869 3.401 -0.054 244 HD1 HIS 33 HD1 HIS 33 7.828 1.457 1.873 245 HD2 HIS 33 HD2 HIS 33 4.003 1.146 0.282 246 HE1 HIS 33 HE1 HIS 33 7.167 -0.950 2.179 247 H SER 34 H SER 34 7.293 5.627 0.067 248 HA SER 34 HA SER 34 5.329 7.670 0.057 249 HB2 SER 34 1HB SER 34 6.803 8.010 2.231 250 HB3 SER 34 2HB SER 34 7.926 8.739 1.083 251 HG SER 34 HG SER 34 5.907 9.938 0.387 252 H ASN 35 H ASN 35 5.661 9.194 -1.593 253 HA ASN 35 HA ASN 35 7.427 8.288 -3.679 254 HB2 ASN 35 1HB ASN 35 5.733 10.786 -3.711 255 HB3 ASN 35 2HB ASN 35 6.315 9.857 -5.089 256 HD21 ASN 35 1HD2 ASN 35 5.453 7.699 -5.372 257 HD22 ASN 35 2HD2 ASN 35 3.838 7.362 -4.858 258 H ILE 36 H ILE 36 7.106 11.224 -1.707 259 HA ILE 36 HA ILE 36 9.455 12.433 -2.839 260 HB ILE 36 HB ILE 36 9.156 14.163 -1.116 261 HG12 ILE 36 1HG1 ILE 36 6.817 13.819 0.131 262 HG13 ILE 36 2HG1 ILE 36 7.273 12.127 -0.030 263 HG21 ILE 36 1HG2 ILE 36 7.110 15.067 -1.953 264 HG22 ILE 36 2HG2 ILE 36 7.884 14.178 -3.264 265 HG23 ILE 36 3HG2 ILE 36 6.522 13.466 -2.399 266 HD11 ILE 36 3HD1 ILE 36 8.099 12.714 2.046 267 HD12 ILE 36 1HD1 ILE 36 9.512 12.864 1.000 268 HD13 ILE 36 2HD1 ILE 36 8.626 14.306 1.499 269 H LEU 37 H LEU 37 11.234 13.210 -1.358 270 HA LEU 37 HA LEU 37 11.986 11.050 0.501 271 HB2 LEU 37 1HB LEU 37 14.225 11.254 -0.149 272 HB3 LEU 37 2HB LEU 37 13.302 11.290 -1.650 273 HG LEU 37 HG LEU 37 13.506 13.866 -1.422 274 HD11 LEU 37 1HD1 LEU 37 16.104 13.653 -0.227 275 HD12 LEU 37 2HD1 LEU 37 14.871 13.080 0.896 276 HD13 LEU 37 3HD1 LEU 37 14.753 14.700 0.210 277 HD21 LEU 37 3HD2 LEU 37 15.803 12.059 -2.156 278 HD22 LEU 37 1HD2 LEU 37 15.732 13.778 -2.546 279 HD23 LEU 37 2HD2 LEU 37 14.535 12.671 -3.220 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.159 -27.830 0.322 2 HA2 GLY 1 1HA GLY 1 -13.478 -26.138 0.966 3 HA3 GLY 1 2HA GLY 1 -12.230 -26.633 2.099 4 H SER 2 H SER 2 -13.320 -24.185 0.048 5 HA SER 2 HA SER 2 -10.798 -22.904 -0.424 6 HB2 SER 2 1HB SER 2 -13.630 -21.858 -0.662 7 HB3 SER 2 2HB SER 2 -12.190 -21.001 -1.213 8 HG SER 2 HG SER 2 -13.597 -22.806 -2.525 9 H SER 3 H SER 3 -10.258 -20.750 0.391 10 HA SER 3 HA SER 3 -11.021 -20.482 3.219 11 HB2 SER 3 1HB SER 3 -8.498 -19.852 1.716 12 HB3 SER 3 2HB SER 3 -8.852 -19.030 3.236 13 HG SER 3 HG SER 3 -7.954 -21.543 2.820 14 H GLY 4 H GLY 4 -12.181 -18.777 3.825 15 HA2 GLY 4 1HA GLY 4 -13.408 -16.973 2.213 16 HA3 GLY 4 2HA GLY 4 -13.003 -16.619 3.886 17 H SER 5 H SER 5 -10.959 -15.593 4.334 18 HA SER 5 HA SER 5 -9.478 -13.892 4.021 19 HB2 SER 5 1HB SER 5 -9.181 -15.456 1.464 20 HB3 SER 5 2HB SER 5 -8.217 -14.011 1.771 21 HG SER 5 HG SER 5 -7.718 -15.152 3.857 22 H SER 6 H SER 6 -12.119 -13.168 3.612 23 HA SER 6 HA SER 6 -13.516 -11.699 2.530 24 HB2 SER 6 1HB SER 6 -11.649 -10.354 3.765 25 HB3 SER 6 2HB SER 6 -11.089 -9.974 2.137 26 HG SER 6 HG SER 6 -12.763 -8.569 3.289 27 H GLY 7 H GLY 7 -12.635 -13.651 0.747 28 HA2 GLY 7 1HA GLY 7 -12.437 -14.101 -1.497 29 HA3 GLY 7 2HA GLY 7 -13.321 -12.598 -1.718 30 H HIS 8 H HIS 8 -12.306 -11.579 -3.331 31 HA HIS 8 HA HIS 8 -9.576 -11.765 -3.934 32 HB2 HIS 8 1HB HIS 8 -11.700 -9.764 -4.674 33 HB3 HIS 8 2HB HIS 8 -10.040 -9.590 -5.233 34 HD1 HIS 8 HD1 HIS 8 -12.125 -9.939 -7.349 35 HD2 HIS 8 HD2 HIS 8 -10.228 -13.161 -5.536 36 HE1 HIS 8 HE1 HIS 8 -12.351 -11.851 -8.967 37 H LEU 9 H LEU 9 -7.819 -10.492 -3.468 38 HA LEU 9 HA LEU 9 -8.203 -8.319 -1.528 39 HB2 LEU 9 1HB LEU 9 -6.357 -10.672 -1.339 40 HB3 LEU 9 2HB LEU 9 -5.979 -9.156 -0.524 41 HG LEU 9 HG LEU 9 -8.617 -10.474 -0.037 42 HD11 LEU 9 1HD1 LEU 9 -7.782 -11.954 1.545 43 HD12 LEU 9 2HD1 LEU 9 -6.211 -11.156 1.610 44 HD13 LEU 9 3HD1 LEU 9 -6.652 -12.121 0.201 45 HD21 LEU 9 3HD2 LEU 9 -8.362 -9.402 2.140 46 HD22 LEU 9 1HD2 LEU 9 -8.202 -8.228 0.833 47 HD23 LEU 9 2HD2 LEU 9 -6.766 -8.814 1.673 48 H TYR 10 H TYR 10 -6.093 -7.039 -1.274 49 HA TYR 10 HA TYR 10 -4.720 -6.841 -3.872 50 HB2 TYR 10 1HB TYR 10 -5.578 -4.505 -2.152 51 HB3 TYR 10 2HB TYR 10 -4.764 -4.415 -3.710 52 HD1 TYR 10 HD2 TYR 10 -6.030 -5.576 -5.700 53 HD2 TYR 10 HD1 TYR 10 -7.885 -4.325 -2.081 54 HE1 TYR 10 HE2 TYR 10 -8.209 -5.527 -6.840 55 HE2 TYR 10 HE1 TYR 10 -10.069 -4.274 -3.211 56 HH TYR 10 HH TYR 10 -10.461 -5.438 -6.504 57 H TYR 11 H TYR 11 -2.563 -6.763 -3.780 58 HA TYR 11 HA TYR 11 -1.314 -6.653 -1.131 59 HB2 TYR 11 1HB TYR 11 -0.184 -7.584 -3.779 60 HB3 TYR 11 2HB TYR 11 0.645 -7.662 -2.228 61 HD1 TYR 11 HD1 TYR 11 -2.560 -8.773 -3.801 62 HD2 TYR 11 HD2 TYR 11 0.575 -9.652 -1.061 63 HE1 TYR 11 HE1 TYR 11 -3.546 -10.989 -3.393 64 HE2 TYR 11 HE2 TYR 11 -0.402 -11.871 -0.647 65 HH TYR 11 HH TYR 11 -3.538 -12.726 -1.712 66 H CYS 12 H CYS 12 0.567 -5.390 -0.765 67 HA CYS 12 HA CYS 12 0.455 -2.808 -1.995 68 HB2 CYS 12 1HB CYS 12 0.978 -3.129 0.406 69 HB3 CYS 12 2HB CYS 12 2.487 -3.916 -0.047 70 H SER 13 H SER 13 2.181 -1.733 -3.083 71 HA SER 13 HA SER 13 3.493 -3.412 -5.005 72 HB2 SER 13 1HB SER 13 3.572 -0.424 -4.541 73 HB3 SER 13 2HB SER 13 4.394 -1.233 -5.876 74 HG SER 13 HG SER 13 1.669 -0.810 -5.447 75 H GLN 14 H GLN 14 4.668 -1.085 -2.573 76 HA GLN 14 HA GLN 14 7.394 -1.667 -2.889 77 HB2 GLN 14 1HB GLN 14 5.740 -0.341 -0.799 78 HB3 GLN 14 2HB GLN 14 7.375 -0.819 -0.363 79 HG2 GLN 14 1HG GLN 14 7.071 1.541 -1.199 80 HG3 GLN 14 2HG GLN 14 8.335 0.587 -1.974 81 HE21 GLN 14 1HE2 GLN 14 5.650 2.523 -2.456 82 HE22 GLN 14 2HE2 GLN 14 5.389 2.195 -4.132 83 H CYS 15 H CYS 15 5.207 -2.710 -0.267 84 HA CYS 15 HA CYS 15 7.042 -4.937 0.280 85 HB2 CYS 15 1HB CYS 15 5.995 -5.091 2.460 86 HB3 CYS 15 2HB CYS 15 6.475 -3.422 2.166 87 H HIS 16 H HIS 16 5.625 -6.837 1.371 88 HA HIS 16 HA HIS 16 3.677 -7.588 -0.701 89 HB2 HIS 16 1HB HIS 16 4.156 -9.950 0.260 90 HB3 HIS 16 2HB HIS 16 5.368 -9.194 -0.770 91 HD1 HIS 16 HD1 HIS 16 4.657 -9.796 2.902 92 HD2 HIS 16 HD2 HIS 16 7.835 -8.941 0.367 93 HE1 HIS 16 HE1 HIS 16 6.720 -9.969 4.330 94 H TYR 17 H TYR 17 2.653 -5.948 1.184 95 HA TYR 17 HA TYR 17 1.281 -7.683 3.116 96 HB2 TYR 17 1HB TYR 17 2.210 -5.888 4.295 97 HB3 TYR 17 2HB TYR 17 1.827 -4.731 3.025 98 HD1 TYR 17 HD1 TYR 17 0.103 -7.015 5.428 99 HD2 TYR 17 HD2 TYR 17 0.031 -3.310 3.338 100 HE1 TYR 17 HE1 TYR 17 -1.947 -6.384 6.631 101 HE2 TYR 17 HE2 TYR 17 -2.019 -2.668 4.535 102 HH TYR 17 HH TYR 17 -3.304 -4.615 7.154 103 H SER 18 H SER 18 -0.685 -8.354 2.613 104 HA SER 18 HA SER 18 -2.241 -6.857 0.627 105 HB2 SER 18 1HB SER 18 -1.833 -9.245 0.155 106 HB3 SER 18 2HB SER 18 -2.636 -9.675 1.665 107 HG SER 18 HG SER 18 -3.727 -8.664 -0.713 108 H SER 19 H SER 19 -4.134 -5.904 1.106 109 HA SER 19 HA SER 19 -5.462 -6.518 3.636 110 HB2 SER 19 1HB SER 19 -4.069 -4.684 4.291 111 HB3 SER 19 2HB SER 19 -4.474 -3.776 2.834 112 HG SER 19 HG SER 19 -5.627 -3.108 4.749 113 H ILE 20 H ILE 20 -7.661 -5.843 3.726 114 HA ILE 20 HA ILE 20 -8.954 -5.910 1.159 115 HB ILE 20 HB ILE 20 -9.849 -7.088 3.172 116 HG12 ILE 20 1HG1 ILE 20 -12.199 -6.550 2.713 117 HG13 ILE 20 2HG1 ILE 20 -11.712 -5.049 1.933 118 HG21 ILE 20 1HG2 ILE 20 -9.718 -5.799 5.028 119 HG22 ILE 20 2HG2 ILE 20 -9.997 -4.301 4.142 120 HG23 ILE 20 3HG2 ILE 20 -11.354 -5.353 4.543 121 HD11 ILE 20 3HD1 ILE 20 -12.166 -7.446 0.687 122 HD12 ILE 20 1HD1 ILE 20 -11.286 -6.076 0.010 123 HD13 ILE 20 2HD1 ILE 20 -10.407 -7.385 0.802 124 H THR 21 H THR 21 -10.635 -4.370 0.528 125 HA THR 21 HA THR 21 -11.248 -2.267 -0.100 126 HB THR 21 HB THR 21 -11.743 -0.694 1.624 127 HG1 THR 21 HG1 THR 21 -10.859 -1.275 3.831 128 HG21 THR 21 3HG2 THR 21 -12.908 -3.006 1.600 129 HG22 THR 21 1HG2 THR 21 -13.141 -1.955 2.997 130 HG23 THR 21 2HG2 THR 21 -12.003 -3.300 3.085 131 H LYS 22 H LYS 22 -8.842 -2.695 -1.049 132 HA LYS 22 HA LYS 22 -6.591 -1.422 -0.348 133 HB2 LYS 22 1HB LYS 22 -6.128 -1.012 -2.732 134 HB3 LYS 22 2HB LYS 22 -6.804 -2.612 -2.460 135 HG2 LYS 22 1HG LYS 22 -8.739 -2.136 -3.552 136 HG3 LYS 22 2HG LYS 22 -8.689 -0.423 -3.127 137 HD2 LYS 22 1HD LYS 22 -8.273 -0.469 -5.433 138 HD3 LYS 22 2HD LYS 22 -6.678 -0.277 -4.701 139 HE2 LYS 22 1HE LYS 22 -7.654 -3.035 -5.223 140 HE3 LYS 22 2HE LYS 22 -7.150 -2.062 -6.605 141 HZ1 LYS 22 3HZ LYS 22 -5.461 -3.538 -5.243 142 HZ2 LYS 22 1HZ LYS 22 -5.366 -2.140 -4.295 143 HZ3 LYS 22 2HZ LYS 22 -4.997 -2.070 -5.944 144 H ASN 23 H ASN 23 -9.544 0.140 -1.390 145 HA ASN 23 HA ASN 23 -8.884 2.646 -2.083 146 HB2 ASN 23 1HB ASN 23 -10.874 3.391 -0.582 147 HB3 ASN 23 2HB ASN 23 -11.178 2.266 -1.902 148 HD21 ASN 23 1HD2 ASN 23 -11.026 2.695 1.523 149 HD22 ASN 23 2HD2 ASN 23 -11.720 1.173 1.956 150 H CYS 24 H CYS 24 -8.709 1.351 1.197 151 HA CYS 24 HA CYS 24 -7.660 3.882 2.199 152 HB2 CYS 24 1HB CYS 24 -9.343 2.640 3.530 153 HB3 CYS 24 2HB CYS 24 -8.212 1.300 3.676 154 HG CYS 24 HG CYS 24 -6.282 3.032 4.989 155 H LEU 25 H LEU 25 -6.637 0.593 1.528 156 HA LEU 25 HA LEU 25 -4.278 0.303 2.800 157 HB2 LEU 25 1HB LEU 25 -5.018 -1.394 1.322 158 HB3 LEU 25 2HB LEU 25 -4.950 -0.310 -0.065 159 HG LEU 25 HG LEU 25 -2.430 -0.259 0.297 160 HD11 LEU 25 1HD1 LEU 25 -1.926 -1.122 2.339 161 HD12 LEU 25 2HD1 LEU 25 -1.795 -2.595 1.379 162 HD13 LEU 25 3HD1 LEU 25 -3.260 -2.276 2.307 163 HD21 LEU 25 3HD2 LEU 25 -3.699 -1.553 -1.462 164 HD22 LEU 25 1HD2 LEU 25 -3.552 -2.959 -0.409 165 HD23 LEU 25 2HD2 LEU 25 -2.104 -2.179 -1.045 166 H LYS 26 H LYS 26 -4.861 2.382 0.013 167 HA LYS 26 HA LYS 26 -2.389 3.119 -0.801 168 HB2 LYS 26 1HB LYS 26 -3.299 5.350 -1.301 169 HB3 LYS 26 2HB LYS 26 -4.421 4.072 -1.750 170 HG2 LYS 26 1HG LYS 26 -5.786 4.503 0.161 171 HG3 LYS 26 2HG LYS 26 -4.597 5.631 0.817 172 HD2 LYS 26 1HD LYS 26 -4.939 6.993 -1.298 173 HD3 LYS 26 2HD LYS 26 -6.336 5.963 -1.618 174 HE2 LYS 26 1HE LYS 26 -6.106 7.233 1.062 175 HE3 LYS 26 2HE LYS 26 -6.554 8.253 -0.305 176 HZ1 LYS 26 3HZ LYS 26 -8.598 7.545 0.338 177 HZ2 LYS 26 1HZ LYS 26 -8.039 6.070 0.951 178 HZ3 LYS 26 2HZ LYS 26 -8.221 6.278 -0.718 179 H ARG 27 H ARG 27 -4.032 4.301 2.108 180 HA ARG 27 HA ARG 27 -2.232 6.228 2.931 181 HB2 ARG 27 1HB ARG 27 -4.425 5.711 4.009 182 HB3 ARG 27 2HB ARG 27 -3.685 4.294 4.743 183 HG2 ARG 27 1HG ARG 27 -3.667 5.951 6.402 184 HG3 ARG 27 2HG ARG 27 -2.013 5.880 5.790 185 HD2 ARG 27 1HD ARG 27 -2.353 7.846 4.464 186 HD3 ARG 27 2HD ARG 27 -4.077 7.857 4.836 187 HE ARG 27 HE ARG 27 -3.608 8.788 6.895 188 HH11 ARG 27 1HH1 ARG 27 -0.663 7.794 5.327 189 HH12 ARG 27 2HH1 ARG 27 0.367 8.620 6.448 190 HH21 ARG 27 1HH2 ARG 27 -2.262 9.880 8.378 191 HH22 ARG 27 2HH2 ARG 27 -0.544 9.805 8.184 192 H HIS 28 H HIS 28 -2.230 2.779 3.839 193 HA HIS 28 HA HIS 28 -0.017 2.663 5.426 194 HB2 HIS 28 1HB HIS 28 -1.023 0.609 5.252 195 HB3 HIS 28 2HB HIS 28 -1.263 0.752 3.513 196 HD1 HIS 28 HD1 HIS 28 0.698 -1.033 5.901 197 HD2 HIS 28 HD2 HIS 28 1.385 0.497 2.100 198 HE1 HIS 28 HE1 HIS 28 2.715 -2.260 5.036 199 H VAL 29 H VAL 29 -0.073 2.661 1.883 200 HA VAL 29 HA VAL 29 2.654 2.263 1.432 201 HB VAL 29 HB VAL 29 0.718 3.887 -0.226 202 HG11 VAL 29 1HG1 VAL 29 2.226 3.747 -2.016 203 HG12 VAL 29 2HG1 VAL 29 3.224 4.190 -0.629 204 HG13 VAL 29 3HG1 VAL 29 3.207 2.524 -1.209 205 HG21 VAL 29 3HG2 VAL 29 -0.077 1.623 0.111 206 HG22 VAL 29 1HG2 VAL 29 0.493 1.817 -1.547 207 HG23 VAL 29 2HG2 VAL 29 1.493 0.973 -0.364 208 H ILE 30 H ILE 30 0.828 5.257 1.936 209 HA ILE 30 HA ILE 30 3.013 7.011 1.525 210 HB ILE 30 HB ILE 30 0.496 7.470 3.130 211 HG12 ILE 30 1HG1 ILE 30 0.991 8.499 0.358 212 HG13 ILE 30 2HG1 ILE 30 0.418 6.850 0.586 213 HG21 ILE 30 1HG2 ILE 30 2.180 9.595 1.856 214 HG22 ILE 30 2HG2 ILE 30 0.968 9.751 3.126 215 HG23 ILE 30 3HG2 ILE 30 2.526 9.007 3.482 216 HD11 ILE 30 3HD1 ILE 30 -1.594 7.571 1.544 217 HD12 ILE 30 1HD1 ILE 30 -0.985 9.207 1.794 218 HD13 ILE 30 2HD1 ILE 30 -1.327 8.632 0.161 219 H GLN 31 H GLN 31 1.662 5.469 4.401 220 HA GLN 31 HA GLN 31 3.369 6.834 6.238 221 HB2 GLN 31 1HB GLN 31 1.547 4.456 6.425 222 HB3 GLN 31 2HB GLN 31 2.625 4.858 7.755 223 HG2 GLN 31 1HG GLN 31 1.541 7.248 7.430 224 HG3 GLN 31 2HG GLN 31 0.229 6.285 6.752 225 HE21 GLN 31 1HE2 GLN 31 -1.264 6.465 8.315 226 HE22 GLN 31 2HE2 GLN 31 -1.047 5.942 9.947 227 H LYS 32 H LYS 32 3.252 3.362 5.427 228 HA LYS 32 HA LYS 32 5.772 2.751 6.481 229 HB2 LYS 32 1HB LYS 32 4.202 1.362 4.303 230 HB3 LYS 32 2HB LYS 32 5.615 0.682 5.100 231 HG2 LYS 32 1HG LYS 32 3.100 1.486 6.543 232 HG3 LYS 32 2HG LYS 32 3.431 -0.147 5.962 233 HD2 LYS 32 1HD LYS 32 5.659 0.158 7.312 234 HD3 LYS 32 2HD LYS 32 4.728 1.387 8.171 235 HE2 LYS 32 1HE LYS 32 3.808 -1.456 7.781 236 HE3 LYS 32 2HE LYS 32 4.677 -0.892 9.208 237 HZ1 LYS 32 3HZ LYS 32 1.933 -0.329 8.360 238 HZ2 LYS 32 1HZ LYS 32 2.763 0.881 9.202 239 HZ3 LYS 32 2HZ LYS 32 2.542 -0.640 9.907 240 H HIS 33 H HIS 33 4.791 3.715 3.229 241 HA HIS 33 HA HIS 33 7.643 3.969 2.526 242 HB2 HIS 33 1HB HIS 33 5.474 3.643 0.472 243 HB3 HIS 33 2HB HIS 33 7.200 3.334 0.314 244 HD1 HIS 33 HD1 HIS 33 7.913 1.306 2.244 245 HD2 HIS 33 HD2 HIS 33 4.145 1.305 0.493 246 HE1 HIS 33 HE1 HIS 33 7.054 -1.045 2.496 247 H SER 34 H SER 34 7.596 6.112 3.413 248 HA SER 34 HA SER 34 5.892 8.169 2.858 249 HB2 SER 34 1HB SER 34 8.897 8.198 3.152 250 HB3 SER 34 2HB SER 34 7.939 9.673 3.034 251 HG SER 34 HG SER 34 8.301 9.055 5.208 252 H ASN 35 H ASN 35 5.447 9.507 1.189 253 HA ASN 35 HA ASN 35 5.731 8.786 -1.416 254 HB2 ASN 35 1HB ASN 35 5.379 11.465 -0.117 255 HB3 ASN 35 2HB ASN 35 5.574 11.364 -1.865 256 HD21 ASN 35 1HD2 ASN 35 3.483 10.890 0.797 257 HD22 ASN 35 2HD2 ASN 35 2.093 10.381 -0.095 258 H ILE 36 H ILE 36 6.961 9.919 -3.182 259 HA ILE 36 HA ILE 36 9.743 9.581 -2.761 260 HB ILE 36 HB ILE 36 8.752 9.162 -4.943 261 HG12 ILE 36 1HG1 ILE 36 10.499 11.530 -5.455 262 HG13 ILE 36 2HG1 ILE 36 11.164 10.182 -4.538 263 HG21 ILE 36 1HG2 ILE 36 7.574 11.733 -4.512 264 HG22 ILE 36 2HG2 ILE 36 8.458 11.736 -6.037 265 HG23 ILE 36 3HG2 ILE 36 7.203 10.531 -5.748 266 HD11 ILE 36 3HD1 ILE 36 11.465 10.276 -7.107 267 HD12 ILE 36 1HD1 ILE 36 11.062 8.744 -6.330 268 HD13 ILE 36 2HD1 ILE 36 9.806 9.678 -7.144 269 H LEU 37 H LEU 37 11.294 10.989 -2.223 270 HA LEU 37 HA LEU 37 10.569 13.620 -1.352 271 HB2 LEU 37 1HB LEU 37 13.191 12.155 -1.514 272 HB3 LEU 37 2HB LEU 37 13.058 13.812 -0.928 273 HG LEU 37 HG LEU 37 11.563 11.522 0.330 274 HD11 LEU 37 1HD1 LEU 37 13.439 11.828 2.101 275 HD12 LEU 37 2HD1 LEU 37 14.373 12.447 0.740 276 HD13 LEU 37 3HD1 LEU 37 13.725 10.808 0.691 277 HD21 LEU 37 3HD2 LEU 37 10.638 13.626 0.916 278 HD22 LEU 37 1HD2 LEU 37 12.233 14.336 1.163 279 HD23 LEU 37 2HD2 LEU 37 11.630 13.113 2.281 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -24.853 -15.059 -3.227 2 HA2 GLY 1 1HA GLY 1 -23.797 -15.420 -5.298 3 HA3 GLY 1 2HA GLY 1 -23.223 -13.759 -5.270 4 H SER 2 H SER 2 -22.788 -16.892 -3.655 5 HA SER 2 HA SER 2 -20.019 -16.120 -3.042 6 HB2 SER 2 1HB SER 2 -21.306 -16.826 -1.096 7 HB3 SER 2 2HB SER 2 -21.734 -18.338 -1.897 8 HG SER 2 HG SER 2 -19.303 -18.574 -2.024 9 H SER 3 H SER 3 -18.974 -16.559 -4.946 10 HA SER 3 HA SER 3 -19.335 -19.129 -6.247 11 HB2 SER 3 1HB SER 3 -19.054 -17.016 -7.557 12 HB3 SER 3 2HB SER 3 -17.402 -16.908 -6.949 13 HG SER 3 HG SER 3 -17.372 -19.230 -7.861 14 H GLY 4 H GLY 4 -16.700 -17.334 -4.666 15 HA2 GLY 4 1HA GLY 4 -15.568 -19.812 -3.696 16 HA3 GLY 4 2HA GLY 4 -14.583 -18.994 -4.899 17 H SER 5 H SER 5 -14.297 -19.547 -1.924 18 HA SER 5 HA SER 5 -14.495 -17.353 -0.323 19 HB2 SER 5 1HB SER 5 -13.635 -19.432 0.547 20 HB3 SER 5 2HB SER 5 -12.212 -19.331 -0.489 21 HG SER 5 HG SER 5 -11.603 -17.453 0.680 22 H SER 6 H SER 6 -11.876 -18.032 -2.622 23 HA SER 6 HA SER 6 -10.063 -16.119 -2.221 24 HB2 SER 6 1HB SER 6 -9.771 -15.920 -4.675 25 HB3 SER 6 2HB SER 6 -9.970 -17.595 -4.162 26 HG SER 6 HG SER 6 -11.241 -16.953 -6.028 27 H GLY 7 H GLY 7 -10.379 -14.118 -1.477 28 HA2 GLY 7 1HA GLY 7 -12.549 -12.497 -2.607 29 HA3 GLY 7 2HA GLY 7 -11.678 -12.158 -1.119 30 H HIS 8 H HIS 8 -12.136 -10.202 -3.033 31 HA HIS 8 HA HIS 8 -9.773 -9.906 -4.666 32 HB2 HIS 8 1HB HIS 8 -10.773 -7.897 -5.480 33 HB3 HIS 8 2HB HIS 8 -12.067 -9.082 -5.326 34 HD1 HIS 8 HD1 HIS 8 -11.332 -5.676 -4.571 35 HD2 HIS 8 HD2 HIS 8 -13.480 -8.694 -2.689 36 HE1 HIS 8 HE1 HIS 8 -12.859 -4.505 -2.952 37 H LEU 9 H LEU 9 -7.904 -9.368 -3.755 38 HA LEU 9 HA LEU 9 -7.918 -7.284 -1.674 39 HB2 LEU 9 1HB LEU 9 -6.188 -9.742 -1.865 40 HB3 LEU 9 2HB LEU 9 -5.868 -8.401 -0.767 41 HG LEU 9 HG LEU 9 -8.396 -10.041 -0.705 42 HD11 LEU 9 1HD1 LEU 9 -6.677 -11.574 -0.192 43 HD12 LEU 9 2HD1 LEU 9 -7.333 -11.043 1.356 44 HD13 LEU 9 3HD1 LEU 9 -5.802 -10.387 0.775 45 HD21 LEU 9 3HD2 LEU 9 -7.299 -7.769 0.839 46 HD22 LEU 9 1HD2 LEU 9 -8.105 -9.041 1.757 47 HD23 LEU 9 2HD2 LEU 9 -8.972 -8.196 0.475 48 H TYR 10 H TYR 10 -5.532 -6.429 -1.421 49 HA TYR 10 HA TYR 10 -4.409 -6.003 -4.109 50 HB2 TYR 10 1HB TYR 10 -5.274 -4.014 -2.074 51 HB3 TYR 10 2HB TYR 10 -3.806 -3.657 -2.977 52 HD1 TYR 10 HD1 TYR 10 -7.097 -5.172 -3.912 53 HD2 TYR 10 HD2 TYR 10 -4.230 -2.113 -4.633 54 HE1 TYR 10 HE1 TYR 10 -8.459 -4.347 -5.786 55 HE2 TYR 10 HE2 TYR 10 -5.584 -1.278 -6.509 56 HH TYR 10 HH TYR 10 -8.793 -2.434 -7.117 57 H TYR 11 H TYR 11 -2.212 -5.979 -4.276 58 HA TYR 11 HA TYR 11 -0.728 -6.654 -1.829 59 HB2 TYR 11 1HB TYR 11 0.329 -7.089 -4.605 60 HB3 TYR 11 2HB TYR 11 0.744 -7.934 -3.118 61 HD1 TYR 11 HD2 TYR 11 -0.876 -9.578 -2.151 62 HD2 TYR 11 HD1 TYR 11 -1.438 -7.845 -5.996 63 HE1 TYR 11 HE2 TYR 11 -2.470 -11.363 -2.716 64 HE2 TYR 11 HE1 TYR 11 -3.034 -9.625 -6.572 65 HH TYR 11 HH TYR 11 -4.347 -11.283 -5.671 66 H CYS 12 H CYS 12 0.269 -4.951 -0.984 67 HA CYS 12 HA CYS 12 0.776 -2.511 -2.093 68 HB2 CYS 12 1HB CYS 12 1.078 -2.834 0.262 69 HB3 CYS 12 2HB CYS 12 2.361 -4.010 -0.005 70 H SER 13 H SER 13 2.612 -1.484 -2.995 71 HA SER 13 HA SER 13 3.981 -3.090 -4.929 72 HB2 SER 13 1HB SER 13 3.269 -0.790 -5.440 73 HB3 SER 13 2HB SER 13 4.365 -0.174 -4.203 74 HG SER 13 HG SER 13 4.904 -1.107 -6.749 75 H GLN 14 H GLN 14 5.190 -0.962 -2.330 76 HA GLN 14 HA GLN 14 7.854 -1.743 -2.454 77 HB2 GLN 14 1HB GLN 14 6.129 -0.509 -0.362 78 HB3 GLN 14 2HB GLN 14 7.704 -1.118 0.126 79 HG2 GLN 14 1HG GLN 14 8.084 1.121 -0.360 80 HG3 GLN 14 2HG GLN 14 8.641 0.268 -1.799 81 HE21 GLN 14 1HE2 GLN 14 7.454 3.024 -1.159 82 HE22 GLN 14 2HE2 GLN 14 6.257 3.236 -2.386 83 H CYS 15 H CYS 15 5.383 -2.892 -0.149 84 HA CYS 15 HA CYS 15 6.981 -5.346 0.183 85 HB2 CYS 15 1HB CYS 15 6.169 -5.532 2.423 86 HB3 CYS 15 2HB CYS 15 6.731 -3.877 2.215 87 H HIS 16 H HIS 16 5.474 -7.185 1.076 88 HA HIS 16 HA HIS 16 3.275 -7.418 -0.849 89 HB2 HIS 16 1HB HIS 16 5.197 -9.133 -0.665 90 HB3 HIS 16 2HB HIS 16 4.385 -9.678 0.799 91 HD1 HIS 16 HD1 HIS 16 1.856 -10.541 0.434 92 HD2 HIS 16 HD2 HIS 16 4.194 -10.167 -2.980 93 HE1 HIS 16 HE1 HIS 16 0.682 -11.888 -1.336 94 H TYR 17 H TYR 17 2.248 -5.863 0.846 95 HA TYR 17 HA TYR 17 0.935 -7.456 2.945 96 HB2 TYR 17 1HB TYR 17 2.056 -5.647 3.977 97 HB3 TYR 17 2HB TYR 17 1.536 -4.511 2.738 98 HD1 TYR 17 HD1 TYR 17 0.164 -6.710 5.420 99 HD2 TYR 17 HD2 TYR 17 -0.305 -3.152 3.136 100 HE1 TYR 17 HE1 TYR 17 -1.754 -6.071 6.821 101 HE2 TYR 17 HE2 TYR 17 -2.223 -2.502 4.531 102 HH TYR 17 HH TYR 17 -3.359 -2.951 6.425 103 H SER 18 H SER 18 -1.141 -7.929 2.698 104 HA SER 18 HA SER 18 -2.785 -6.217 0.955 105 HB2 SER 18 1HB SER 18 -3.012 -9.230 1.106 106 HB3 SER 18 2HB SER 18 -3.867 -8.149 0.006 107 HG SER 18 HG SER 18 -1.378 -9.221 -0.205 108 H SER 19 H SER 19 -4.690 -5.601 1.777 109 HA SER 19 HA SER 19 -5.866 -7.101 3.993 110 HB2 SER 19 1HB SER 19 -4.362 -5.237 4.878 111 HB3 SER 19 2HB SER 19 -5.525 -4.107 4.184 112 HG SER 19 HG SER 19 -7.025 -4.744 5.613 113 H ILE 20 H ILE 20 -8.056 -6.076 4.591 114 HA ILE 20 HA ILE 20 -9.649 -6.026 2.241 115 HB ILE 20 HB ILE 20 -10.614 -5.118 4.938 116 HG12 ILE 20 1HG1 ILE 20 -11.194 -7.733 5.013 117 HG13 ILE 20 2HG1 ILE 20 -9.705 -7.816 4.078 118 HG21 ILE 20 1HG2 ILE 20 -12.213 -4.891 3.173 119 HG22 ILE 20 2HG2 ILE 20 -11.899 -6.532 2.610 120 HG23 ILE 20 3HG2 ILE 20 -12.686 -6.270 4.166 121 HD11 ILE 20 3HD1 ILE 20 -8.633 -7.821 6.015 122 HD12 ILE 20 1HD1 ILE 20 -9.092 -6.126 6.181 123 HD13 ILE 20 2HD1 ILE 20 -10.093 -7.386 6.904 124 H THR 21 H THR 21 -11.188 -4.308 1.683 125 HA THR 21 HA THR 21 -11.528 -2.201 0.872 126 HB THR 21 HB THR 21 -11.438 -0.378 2.567 127 HG1 THR 21 HG1 THR 21 -9.595 -1.542 3.697 128 HG21 THR 21 3HG2 THR 21 -13.504 -1.353 2.660 129 HG22 THR 21 1HG2 THR 21 -12.937 -1.745 4.283 130 HG23 THR 21 2HG2 THR 21 -12.854 -2.955 3.003 131 H LYS 22 H LYS 22 -9.262 -3.002 -0.172 132 HA LYS 22 HA LYS 22 -6.847 -1.869 0.368 133 HB2 LYS 22 1HB LYS 22 -6.328 -2.031 -1.992 134 HB3 LYS 22 2HB LYS 22 -7.298 -3.417 -1.512 135 HG2 LYS 22 1HG LYS 22 -8.356 -2.881 -3.445 136 HG3 LYS 22 2HG LYS 22 -9.272 -1.858 -2.335 137 HD2 LYS 22 1HD LYS 22 -7.813 0.036 -2.896 138 HD3 LYS 22 2HD LYS 22 -6.921 -0.992 -4.021 139 HE2 LYS 22 1HE LYS 22 -8.436 0.201 -5.359 140 HE3 LYS 22 2HE LYS 22 -9.158 -1.396 -5.169 141 HZ1 LYS 22 3HZ LYS 22 -10.815 0.307 -4.869 142 HZ2 LYS 22 1HZ LYS 22 -9.896 1.053 -3.659 143 HZ3 LYS 22 2HZ LYS 22 -10.555 -0.483 -3.395 144 H ASN 23 H ASN 23 -9.640 -0.302 -1.088 145 HA ASN 23 HA ASN 23 -8.708 1.988 -2.148 146 HB2 ASN 23 1HB ASN 23 -10.767 3.027 -1.633 147 HB3 ASN 23 2HB ASN 23 -11.137 1.307 -1.717 148 HD21 ASN 23 1HD2 ASN 23 -11.340 4.100 0.124 149 HD22 ASN 23 2HD2 ASN 23 -11.858 3.391 1.612 150 H CYS 24 H CYS 24 -8.688 1.161 1.251 151 HA CYS 24 HA CYS 24 -7.799 3.801 2.052 152 HB2 CYS 24 1HB CYS 24 -8.553 1.283 3.454 153 HB3 CYS 24 2HB CYS 24 -7.472 2.391 4.290 154 HG CYS 24 HG CYS 24 -9.412 3.737 5.279 155 H LEU 25 H LEU 25 -6.455 0.536 1.792 156 HA LEU 25 HA LEU 25 -4.041 0.643 2.917 157 HB2 LEU 25 1HB LEU 25 -4.506 -1.285 1.702 158 HB3 LEU 25 2HB LEU 25 -4.837 -0.386 0.223 159 HG LEU 25 HG LEU 25 -2.293 0.176 0.320 160 HD11 LEU 25 1HD1 LEU 25 -0.942 -1.021 1.659 161 HD12 LEU 25 2HD1 LEU 25 -1.933 -2.475 1.540 162 HD13 LEU 25 3HD1 LEU 25 -2.392 -1.184 2.650 163 HD21 LEU 25 3HD2 LEU 25 -3.839 -1.920 -0.852 164 HD22 LEU 25 1HD2 LEU 25 -2.229 -2.529 -0.469 165 HD23 LEU 25 2HD2 LEU 25 -2.412 -1.102 -1.489 166 H LYS 26 H LYS 26 -4.997 2.487 0.100 167 HA LYS 26 HA LYS 26 -2.756 3.362 -1.068 168 HB2 LYS 26 1HB LYS 26 -5.047 4.230 -1.518 169 HB3 LYS 26 2HB LYS 26 -4.911 5.242 -0.086 170 HG2 LYS 26 1HG LYS 26 -3.096 6.477 -1.072 171 HG3 LYS 26 2HG LYS 26 -3.074 5.396 -2.467 172 HD2 LYS 26 1HD LYS 26 -4.997 6.285 -3.355 173 HD3 LYS 26 2HD LYS 26 -5.613 6.798 -1.783 174 HE2 LYS 26 1HE LYS 26 -3.153 8.066 -2.912 175 HE3 LYS 26 2HE LYS 26 -4.742 8.569 -3.486 176 HZ1 LYS 26 3HZ LYS 26 -3.423 9.333 -1.135 177 HZ2 LYS 26 1HZ LYS 26 -4.819 8.485 -0.696 178 HZ3 LYS 26 2HZ LYS 26 -4.933 9.839 -1.702 179 H ARG 27 H ARG 27 -3.876 4.421 2.118 180 HA ARG 27 HA ARG 27 -1.830 6.325 2.551 181 HB2 ARG 27 1HB ARG 27 -2.516 6.261 4.890 182 HB3 ARG 27 2HB ARG 27 -3.924 6.301 3.836 183 HG2 ARG 27 1HG ARG 27 -4.030 3.789 4.098 184 HG3 ARG 27 2HG ARG 27 -2.834 3.970 5.383 185 HD2 ARG 27 1HD ARG 27 -4.842 3.998 6.541 186 HD3 ARG 27 2HD ARG 27 -4.478 5.713 6.348 187 HE ARG 27 HE ARG 27 -6.157 4.562 4.291 188 HH11 ARG 27 1HH1 ARG 27 -6.012 6.241 7.338 189 HH12 ARG 27 2HH1 ARG 27 -7.613 6.890 7.205 190 HH21 ARG 27 1HH2 ARG 27 -8.267 5.410 4.105 191 HH22 ARG 27 2HH2 ARG 27 -8.895 6.416 5.367 192 H HIS 28 H HIS 28 -2.204 2.979 3.721 193 HA HIS 28 HA HIS 28 -0.024 2.584 5.232 194 HB2 HIS 28 1HB HIS 28 -1.241 0.648 4.936 195 HB3 HIS 28 2HB HIS 28 -1.344 0.852 3.190 196 HD1 HIS 28 HD1 HIS 28 0.351 -1.082 5.702 197 HD2 HIS 28 HD2 HIS 28 1.292 0.318 1.905 198 HE1 HIS 28 HE1 HIS 28 2.290 -2.485 4.930 199 H VAL 29 H VAL 29 -0.002 2.766 1.698 200 HA VAL 29 HA VAL 29 2.727 2.170 1.332 201 HB VAL 29 HB VAL 29 0.914 3.853 -0.403 202 HG11 VAL 29 1HG1 VAL 29 3.693 2.847 -0.740 203 HG12 VAL 29 2HG1 VAL 29 2.633 2.879 -2.151 204 HG13 VAL 29 3HG1 VAL 29 2.969 4.367 -1.265 205 HG21 VAL 29 3HG2 VAL 29 1.631 1.078 -1.129 206 HG22 VAL 29 1HG2 VAL 29 0.506 1.278 0.215 207 HG23 VAL 29 2HG2 VAL 29 0.122 1.960 -1.366 208 H ILE 30 H ILE 30 1.017 5.226 1.824 209 HA ILE 30 HA ILE 30 3.343 6.852 1.488 210 HB ILE 30 HB ILE 30 0.700 7.511 2.793 211 HG12 ILE 30 1HG1 ILE 30 1.623 8.374 0.062 212 HG13 ILE 30 2HG1 ILE 30 0.805 6.833 0.298 213 HG21 ILE 30 1HG2 ILE 30 3.038 9.229 2.007 214 HG22 ILE 30 2HG2 ILE 30 1.420 9.879 2.268 215 HG23 ILE 30 3HG2 ILE 30 2.273 9.081 3.589 216 HD11 ILE 30 3HD1 ILE 30 -0.272 9.589 0.799 217 HD12 ILE 30 1HD1 ILE 30 -0.835 8.392 -0.368 218 HD13 ILE 30 2HD1 ILE 30 -1.072 8.121 1.359 219 H GLN 31 H GLN 31 1.698 5.378 4.221 220 HA GLN 31 HA GLN 31 3.286 6.745 6.190 221 HB2 GLN 31 1HB GLN 31 0.905 5.770 6.456 222 HB3 GLN 31 2HB GLN 31 1.720 4.230 6.694 223 HG2 GLN 31 1HG GLN 31 1.181 5.296 8.813 224 HG3 GLN 31 2HG GLN 31 2.923 5.134 8.596 225 HE21 GLN 31 1HE2 GLN 31 0.320 7.264 9.115 226 HE22 GLN 31 2HE2 GLN 31 1.219 8.739 9.114 227 H LYS 32 H LYS 32 2.965 3.264 5.475 228 HA LYS 32 HA LYS 32 5.315 2.501 6.792 229 HB2 LYS 32 1HB LYS 32 3.827 1.156 4.531 230 HB3 LYS 32 2HB LYS 32 5.121 0.399 5.451 231 HG2 LYS 32 1HG LYS 32 2.829 1.522 6.961 232 HG3 LYS 32 2HG LYS 32 2.571 0.037 6.043 233 HD2 LYS 32 1HD LYS 32 3.214 -0.580 8.260 234 HD3 LYS 32 2HD LYS 32 4.577 -0.922 7.193 235 HE2 LYS 32 1HE LYS 32 4.467 1.741 8.505 236 HE3 LYS 32 2HE LYS 32 4.876 0.347 9.504 237 HZ1 LYS 32 3HZ LYS 32 6.780 -0.074 8.274 238 HZ2 LYS 32 1HZ LYS 32 6.761 1.615 8.366 239 HZ3 LYS 32 2HZ LYS 32 6.265 0.840 6.947 240 H HIS 33 H HIS 33 4.723 3.397 3.428 241 HA HIS 33 HA HIS 33 7.640 3.425 3.004 242 HB2 HIS 33 1HB HIS 33 5.602 3.044 0.814 243 HB3 HIS 33 2HB HIS 33 7.341 2.776 0.737 244 HD1 HIS 33 HD1 HIS 33 8.179 0.731 2.387 245 HD2 HIS 33 HD2 HIS 33 4.181 0.786 1.260 246 HE1 HIS 33 HE1 HIS 33 7.334 -1.603 2.795 247 H SER 34 H SER 34 8.211 4.917 1.085 248 HA SER 34 HA SER 34 8.530 7.163 0.661 249 HB2 SER 34 1HB SER 34 6.710 6.188 -0.930 250 HB3 SER 34 2HB SER 34 5.600 7.197 -0.002 251 HG SER 34 HG SER 34 6.726 8.087 -1.985 252 H ASN 35 H ASN 35 8.016 6.773 3.401 253 HA ASN 35 HA ASN 35 5.991 8.328 4.502 254 HB2 ASN 35 1HB ASN 35 7.494 6.776 5.763 255 HB3 ASN 35 2HB ASN 35 8.775 7.978 5.632 256 HD21 ASN 35 1HD2 ASN 35 8.515 7.555 8.048 257 HD22 ASN 35 2HD2 ASN 35 7.465 8.636 8.894 258 H ILE 36 H ILE 36 5.626 10.447 4.631 259 HA ILE 36 HA ILE 36 7.774 12.272 3.778 260 HB ILE 36 HB ILE 36 5.974 13.876 3.219 261 HG12 ILE 36 1HG1 ILE 36 4.002 11.626 3.479 262 HG13 ILE 36 2HG1 ILE 36 4.351 12.665 4.857 263 HG21 ILE 36 1HG2 ILE 36 6.588 12.877 1.284 264 HG22 ILE 36 2HG2 ILE 36 6.317 11.251 1.910 265 HG23 ILE 36 3HG2 ILE 36 4.950 12.228 1.372 266 HD11 ILE 36 3HD1 ILE 36 3.764 14.112 2.388 267 HD12 ILE 36 1HD1 ILE 36 2.433 13.125 2.993 268 HD13 ILE 36 2HD1 ILE 36 3.158 14.357 4.026 269 H LEU 37 H LEU 37 8.279 14.057 4.990 270 HA LEU 37 HA LEU 37 7.151 14.109 7.702 271 HB2 LEU 37 1HB LEU 37 9.762 15.118 6.595 272 HB3 LEU 37 2HB LEU 37 9.205 15.454 8.233 273 HG LEU 37 HG LEU 37 9.753 12.701 7.126 274 HD11 LEU 37 1HD1 LEU 37 11.401 14.297 9.077 275 HD12 LEU 37 2HD1 LEU 37 11.771 14.151 7.359 276 HD13 LEU 37 3HD1 LEU 37 11.779 12.718 8.386 277 HD21 LEU 37 3HD2 LEU 37 9.774 12.285 9.700 278 HD22 LEU 37 1HD2 LEU 37 8.243 12.345 8.828 279 HD23 LEU 37 2HD2 LEU 37 8.787 13.746 9.751 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -18.745 -26.365 -4.715 2 HA2 GLY 1 1HA GLY 1 -19.205 -24.159 -5.807 3 HA3 GLY 1 2HA GLY 1 -19.359 -24.093 -4.058 4 H SER 2 H SER 2 -17.668 -23.168 -2.821 5 HA SER 2 HA SER 2 -15.927 -21.387 -4.395 6 HB2 SER 2 1HB SER 2 -17.014 -20.969 -1.600 7 HB3 SER 2 2HB SER 2 -15.994 -19.839 -2.491 8 HG SER 2 HG SER 2 -18.346 -19.467 -2.550 9 H SER 3 H SER 3 -13.927 -22.173 -4.448 10 HA SER 3 HA SER 3 -12.728 -23.084 -1.921 11 HB2 SER 3 1HB SER 3 -11.426 -24.765 -3.259 12 HB3 SER 3 2HB SER 3 -13.158 -25.089 -3.186 13 HG SER 3 HG SER 3 -11.621 -24.110 -5.335 14 H GLY 4 H GLY 4 -12.225 -21.744 -5.149 15 HA2 GLY 4 1HA GLY 4 -9.815 -20.401 -4.111 16 HA3 GLY 4 2HA GLY 4 -9.780 -21.205 -5.673 17 H SER 5 H SER 5 -12.110 -19.034 -4.070 18 HA SER 5 HA SER 5 -11.795 -17.168 -6.319 19 HB2 SER 5 1HB SER 5 -13.825 -18.538 -6.691 20 HB3 SER 5 2HB SER 5 -14.450 -18.009 -5.129 21 HG SER 5 HG SER 5 -13.933 -15.796 -6.231 22 H SER 6 H SER 6 -10.439 -16.086 -4.704 23 HA SER 6 HA SER 6 -12.078 -14.398 -2.940 24 HB2 SER 6 1HB SER 6 -9.373 -15.558 -2.226 25 HB3 SER 6 2HB SER 6 -10.329 -14.467 -1.224 26 HG SER 6 HG SER 6 -11.387 -16.922 -2.121 27 H GLY 7 H GLY 7 -12.025 -12.671 -4.359 28 HA2 GLY 7 1HA GLY 7 -9.347 -11.553 -4.917 29 HA3 GLY 7 2HA GLY 7 -10.744 -11.321 -5.958 30 H HIS 8 H HIS 8 -11.194 -9.214 -5.907 31 HA HIS 8 HA HIS 8 -11.529 -7.090 -5.127 32 HB2 HIS 8 1HB HIS 8 -12.951 -7.168 -2.905 33 HB3 HIS 8 2HB HIS 8 -13.639 -7.705 -4.434 34 HD1 HIS 8 HD1 HIS 8 -12.716 -8.880 -1.060 35 HD2 HIS 8 HD2 HIS 8 -13.863 -10.547 -4.689 36 HE1 HIS 8 HE1 HIS 8 -13.346 -11.258 -0.539 37 H LEU 9 H LEU 9 -8.988 -8.112 -4.447 38 HA LEU 9 HA LEU 9 -8.391 -6.408 -2.178 39 HB2 LEU 9 1HB LEU 9 -7.645 -9.329 -2.209 40 HB3 LEU 9 2HB LEU 9 -7.053 -8.142 -1.049 41 HG LEU 9 HG LEU 9 -9.980 -8.763 -1.340 42 HD11 LEU 9 1HD1 LEU 9 -9.251 -10.868 -0.769 43 HD12 LEU 9 2HD1 LEU 9 -9.465 -10.133 0.820 44 HD13 LEU 9 3HD1 LEU 9 -7.852 -10.263 0.118 45 HD21 LEU 9 3HD2 LEU 9 -10.104 -7.852 0.900 46 HD22 LEU 9 1HD2 LEU 9 -9.329 -6.692 -0.179 47 HD23 LEU 9 2HD2 LEU 9 -8.353 -7.643 0.940 48 H TYR 10 H TYR 10 -6.050 -6.065 -1.914 49 HA TYR 10 HA TYR 10 -4.545 -6.607 -4.386 50 HB2 TYR 10 1HB TYR 10 -4.960 -4.008 -2.951 51 HB3 TYR 10 2HB TYR 10 -3.472 -4.281 -3.850 52 HD1 TYR 10 HD2 TYR 10 -3.755 -5.047 -6.322 53 HD2 TYR 10 HD1 TYR 10 -6.830 -3.180 -4.051 54 HE1 TYR 10 HE2 TYR 10 -4.889 -4.395 -8.405 55 HE2 TYR 10 HE1 TYR 10 -7.974 -2.524 -6.127 56 HH TYR 10 HH TYR 10 -6.492 -2.722 -9.183 57 H TYR 11 H TYR 11 -2.215 -6.547 -4.143 58 HA TYR 11 HA TYR 11 -1.349 -7.145 -1.389 59 HB2 TYR 11 1HB TYR 11 0.087 -8.325 -3.725 60 HB3 TYR 11 2HB TYR 11 -0.109 -8.957 -2.094 61 HD1 TYR 11 HD2 TYR 11 -2.439 -9.811 -1.435 62 HD2 TYR 11 HD1 TYR 11 -1.272 -9.094 -5.463 63 HE1 TYR 11 HE2 TYR 11 -4.259 -11.270 -2.215 64 HE2 TYR 11 HE1 TYR 11 -3.090 -10.550 -6.255 65 HH TYR 11 HH TYR 11 -4.745 -12.663 -4.280 66 H CYS 12 H CYS 12 -0.284 -5.373 -0.747 67 HA CYS 12 HA CYS 12 0.949 -3.428 -2.190 68 HB2 CYS 12 1HB CYS 12 0.636 -3.520 0.320 69 HB3 CYS 12 2HB CYS 12 2.100 -4.496 0.390 70 H SER 13 H SER 13 2.496 -3.448 -3.667 71 HA SER 13 HA SER 13 4.293 -5.700 -3.897 72 HB2 SER 13 1HB SER 13 3.152 -4.400 -5.829 73 HB3 SER 13 2HB SER 13 4.436 -3.216 -5.589 74 HG SER 13 HG SER 13 4.781 -5.976 -6.164 75 H GLN 14 H GLN 14 4.445 -3.640 -1.665 76 HA GLN 14 HA GLN 14 7.253 -2.844 -2.063 77 HB2 GLN 14 1HB GLN 14 5.103 -1.608 -0.340 78 HB3 GLN 14 2HB GLN 14 6.799 -1.153 -0.258 79 HG2 GLN 14 1HG GLN 14 6.001 0.455 -1.661 80 HG3 GLN 14 2HG GLN 14 6.505 -0.766 -2.828 81 HE21 GLN 14 1HE2 GLN 14 4.331 1.402 -2.638 82 HE22 GLN 14 2HE2 GLN 14 2.913 0.588 -3.196 83 H CYS 15 H CYS 15 4.929 -4.088 0.309 84 HA CYS 15 HA CYS 15 7.160 -5.435 1.666 85 HB2 CYS 15 1HB CYS 15 6.081 -4.970 3.849 86 HB3 CYS 15 2HB CYS 15 6.613 -3.504 3.031 87 H HIS 16 H HIS 16 5.368 -6.489 -0.278 88 HA HIS 16 HA HIS 16 3.709 -8.069 -0.601 89 HB2 HIS 16 1HB HIS 16 5.457 -9.352 1.509 90 HB3 HIS 16 2HB HIS 16 4.350 -10.216 0.446 91 HD1 HIS 16 HD1 HIS 16 7.632 -10.291 0.664 92 HD2 HIS 16 HD2 HIS 16 5.265 -8.736 -2.375 93 HE1 HIS 16 HE1 HIS 16 9.087 -10.291 -1.387 94 H TYR 17 H TYR 17 2.728 -6.127 1.140 95 HA TYR 17 HA TYR 17 1.300 -7.691 3.182 96 HB2 TYR 17 1HB TYR 17 2.446 -5.866 4.201 97 HB3 TYR 17 2HB TYR 17 1.892 -4.739 2.968 98 HD1 TYR 17 HD1 TYR 17 0.708 -6.868 5.774 99 HD2 TYR 17 HD2 TYR 17 -0.094 -3.527 3.265 100 HE1 TYR 17 HE1 TYR 17 -1.212 -6.273 7.190 101 HE2 TYR 17 HE2 TYR 17 -2.016 -2.921 4.675 102 HH TYR 17 HH TYR 17 -2.747 -4.694 7.644 103 H SER 18 H SER 18 -0.744 -8.191 2.796 104 HA SER 18 HA SER 18 -2.288 -6.491 0.948 105 HB2 SER 18 1HB SER 18 -3.304 -8.379 -0.023 106 HB3 SER 18 2HB SER 18 -1.611 -8.846 0.138 107 HG SER 18 HG SER 18 -3.366 -10.352 0.903 108 H SER 19 H SER 19 -4.210 -5.766 1.640 109 HA SER 19 HA SER 19 -5.506 -7.051 3.924 110 HB2 SER 19 1HB SER 19 -5.851 -4.798 4.992 111 HB3 SER 19 2HB SER 19 -4.179 -5.358 5.003 112 HG SER 19 HG SER 19 -4.101 -4.075 2.912 113 H ILE 20 H ILE 20 -7.659 -5.790 4.380 114 HA ILE 20 HA ILE 20 -9.081 -5.740 1.853 115 HB ILE 20 HB ILE 20 -11.114 -5.632 3.196 116 HG12 ILE 20 1HG1 ILE 20 -9.425 -5.765 5.683 117 HG13 ILE 20 2HG1 ILE 20 -9.933 -4.219 5.011 118 HG21 ILE 20 1HG2 ILE 20 -10.489 -7.739 4.700 119 HG22 ILE 20 2HG2 ILE 20 -10.638 -7.837 2.946 120 HG23 ILE 20 3HG2 ILE 20 -9.045 -7.692 3.688 121 HD11 ILE 20 3HD1 ILE 20 -12.191 -5.953 5.196 122 HD12 ILE 20 1HD1 ILE 20 -11.351 -5.908 6.745 123 HD13 ILE 20 2HD1 ILE 20 -11.900 -4.409 5.995 124 H THR 21 H THR 21 -10.660 -4.034 1.383 125 HA THR 21 HA THR 21 -11.290 -1.863 1.077 126 HB THR 21 HB THR 21 -9.723 -1.209 3.576 127 HG1 THR 21 HG1 THR 21 -12.192 -2.452 3.191 128 HG21 THR 21 3HG2 THR 21 -10.581 0.860 3.447 129 HG22 THR 21 1HG2 THR 21 -12.176 0.263 2.990 130 HG23 THR 21 2HG2 THR 21 -10.928 0.472 1.762 131 H LYS 22 H LYS 22 -9.356 -2.598 -0.533 132 HA LYS 22 HA LYS 22 -6.856 -1.620 -0.572 133 HB2 LYS 22 1HB LYS 22 -6.981 -1.456 -2.961 134 HB3 LYS 22 2HB LYS 22 -8.009 -2.792 -2.459 135 HG2 LYS 22 1HG LYS 22 -9.403 -1.795 -3.944 136 HG3 LYS 22 2HG LYS 22 -9.860 -0.902 -2.492 137 HD2 LYS 22 1HD LYS 22 -8.494 0.953 -3.113 138 HD3 LYS 22 2HD LYS 22 -7.754 0.041 -4.431 139 HE2 LYS 22 1HE LYS 22 -9.301 1.338 -5.553 140 HE3 LYS 22 2HE LYS 22 -10.193 -0.163 -5.306 141 HZ1 LYS 22 3HZ LYS 22 -10.582 1.512 -3.083 142 HZ2 LYS 22 1HZ LYS 22 -11.727 0.953 -4.195 143 HZ3 LYS 22 2HZ LYS 22 -10.903 2.401 -4.486 144 H ASN 23 H ASN 23 -9.774 0.287 -0.707 145 HA ASN 23 HA ASN 23 -8.853 2.705 -1.662 146 HB2 ASN 23 1HB ASN 23 -11.222 1.946 -0.806 147 HB3 ASN 23 2HB ASN 23 -10.688 2.678 0.704 148 HD21 ASN 23 1HD2 ASN 23 -12.541 3.287 -1.789 149 HD22 ASN 23 2HD2 ASN 23 -12.301 4.985 -1.992 150 H CYS 24 H CYS 24 -8.743 1.497 1.678 151 HA CYS 24 HA CYS 24 -7.369 3.807 2.662 152 HB2 CYS 24 1HB CYS 24 -8.016 1.107 3.823 153 HB3 CYS 24 2HB CYS 24 -7.000 2.254 4.687 154 HG CYS 24 HG CYS 24 -8.875 3.856 5.510 155 H LEU 25 H LEU 25 -6.429 0.561 1.653 156 HA LEU 25 HA LEU 25 -3.887 0.284 2.504 157 HB2 LEU 25 1HB LEU 25 -4.766 -1.402 1.129 158 HB3 LEU 25 2HB LEU 25 -5.072 -0.278 -0.194 159 HG LEU 25 HG LEU 25 -2.591 -0.080 -0.483 160 HD11 LEU 25 1HD1 LEU 25 -2.506 -1.355 1.970 161 HD12 LEU 25 2HD1 LEU 25 -1.144 -1.069 0.887 162 HD13 LEU 25 3HD1 LEU 25 -2.015 -2.601 0.823 163 HD21 LEU 25 3HD2 LEU 25 -2.624 -2.786 -1.073 164 HD22 LEU 25 1HD2 LEU 25 -3.141 -1.472 -2.130 165 HD23 LEU 25 2HD2 LEU 25 -4.323 -2.312 -1.126 166 H LYS 26 H LYS 26 -4.974 2.480 -0.021 167 HA LYS 26 HA LYS 26 -2.619 3.277 -1.169 168 HB2 LYS 26 1HB LYS 26 -4.810 4.112 -1.873 169 HB3 LYS 26 2HB LYS 26 -4.949 5.039 -0.385 170 HG2 LYS 26 1HG LYS 26 -2.585 5.529 -2.112 171 HG3 LYS 26 2HG LYS 26 -4.153 6.138 -2.647 172 HD2 LYS 26 1HD LYS 26 -3.085 6.654 0.116 173 HD3 LYS 26 2HD LYS 26 -2.718 7.711 -1.249 174 HE2 LYS 26 1HE LYS 26 -4.976 8.312 -1.523 175 HE3 LYS 26 2HE LYS 26 -5.537 6.984 -0.509 176 HZ1 LYS 26 3HZ LYS 26 -3.758 8.825 0.821 177 HZ2 LYS 26 1HZ LYS 26 -5.227 8.169 1.344 178 HZ3 LYS 26 2HZ LYS 26 -5.218 9.519 0.325 179 H ARG 27 H ARG 27 -4.014 4.446 1.877 180 HA ARG 27 HA ARG 27 -2.052 6.377 2.437 181 HB2 ARG 27 1HB ARG 27 -4.117 6.429 3.645 182 HB3 ARG 27 2HB ARG 27 -3.878 4.793 4.243 183 HG2 ARG 27 1HG ARG 27 -1.840 6.835 4.934 184 HG3 ARG 27 2HG ARG 27 -3.408 6.914 5.740 185 HD2 ARG 27 1HD ARG 27 -3.140 4.546 6.403 186 HD3 ARG 27 2HD ARG 27 -1.535 4.551 5.672 187 HE ARG 27 HE ARG 27 -1.336 6.580 7.392 188 HH11 ARG 27 1HH1 ARG 27 -2.600 3.360 7.787 189 HH12 ARG 27 2HH1 ARG 27 -2.181 3.261 9.465 190 HH21 ARG 27 1HH2 ARG 27 -0.780 6.462 9.601 191 HH22 ARG 27 2HH2 ARG 27 -1.147 5.026 10.496 192 H HIS 28 H HIS 28 -2.366 3.027 3.615 193 HA HIS 28 HA HIS 28 -0.273 2.722 5.258 194 HB2 HIS 28 1HB HIS 28 -1.362 0.728 4.904 195 HB3 HIS 28 2HB HIS 28 -1.409 0.939 3.156 196 HD1 HIS 28 HD1 HIS 28 0.510 -0.657 5.852 197 HD2 HIS 28 HD2 HIS 28 1.058 0.252 1.835 198 HE1 HIS 28 HE1 HIS 28 2.477 -2.038 5.113 199 H VAL 29 H VAL 29 -0.021 2.841 1.724 200 HA VAL 29 HA VAL 29 2.748 2.384 1.552 201 HB VAL 29 HB VAL 29 0.980 3.958 -0.327 202 HG11 VAL 29 1HG1 VAL 29 3.658 2.677 -0.858 203 HG12 VAL 29 2HG1 VAL 29 2.679 3.601 -2.000 204 HG13 VAL 29 3HG1 VAL 29 3.401 4.402 -0.604 205 HG21 VAL 29 3HG2 VAL 29 0.207 1.664 0.022 206 HG22 VAL 29 1HG2 VAL 29 0.848 1.882 -1.606 207 HG23 VAL 29 2HG2 VAL 29 1.813 1.057 -0.382 208 H ILE 30 H ILE 30 0.871 5.367 1.862 209 HA ILE 30 HA ILE 30 3.035 7.156 1.573 210 HB ILE 30 HB ILE 30 0.420 7.530 3.037 211 HG12 ILE 30 1HG1 ILE 30 1.112 8.691 0.359 212 HG13 ILE 30 2HG1 ILE 30 0.550 7.027 0.470 213 HG21 ILE 30 1HG2 ILE 30 1.821 9.199 3.885 214 HG22 ILE 30 2HG2 ILE 30 2.617 9.447 2.332 215 HG23 ILE 30 3HG2 ILE 30 0.956 9.990 2.567 216 HD11 ILE 30 3HD1 ILE 30 -1.500 7.855 0.337 217 HD12 ILE 30 1HD1 ILE 30 -1.273 8.432 1.988 218 HD13 ILE 30 2HD1 ILE 30 -0.937 9.501 0.626 219 H GLN 31 H GLN 31 1.757 5.388 4.310 220 HA GLN 31 HA GLN 31 3.468 6.809 6.184 221 HB2 GLN 31 1HB GLN 31 1.239 4.853 6.398 222 HB3 GLN 31 2HB GLN 31 2.424 4.870 7.697 223 HG2 GLN 31 1HG GLN 31 0.484 6.284 8.177 224 HG3 GLN 31 2HG GLN 31 1.988 7.202 8.123 225 HE21 GLN 31 1HE2 GLN 31 0.893 9.124 7.728 226 HE22 GLN 31 2HE2 GLN 31 0.183 9.479 6.194 227 H LYS 32 H LYS 32 2.887 3.330 5.675 228 HA LYS 32 HA LYS 32 5.244 2.419 6.794 229 HB2 LYS 32 1HB LYS 32 3.393 1.293 4.723 230 HB3 LYS 32 2HB LYS 32 4.883 0.445 5.115 231 HG2 LYS 32 1HG LYS 32 3.153 1.274 7.372 232 HG3 LYS 32 2HG LYS 32 2.591 -0.052 6.351 233 HD2 LYS 32 1HD LYS 32 3.809 -1.250 7.860 234 HD3 LYS 32 2HD LYS 32 5.091 -0.876 6.705 235 HE2 LYS 32 1HE LYS 32 5.772 -0.473 9.038 236 HE3 LYS 32 2HE LYS 32 5.813 0.992 8.060 237 HZ1 LYS 32 3HZ LYS 32 3.497 0.285 9.764 238 HZ2 LYS 32 1HZ LYS 32 3.854 1.781 9.058 239 HZ3 LYS 32 2HZ LYS 32 4.798 1.202 10.336 240 H HIS 33 H HIS 33 4.617 3.496 3.498 241 HA HIS 33 HA HIS 33 7.510 3.315 2.964 242 HB2 HIS 33 1HB HIS 33 5.321 3.191 0.885 243 HB3 HIS 33 2HB HIS 33 7.042 2.904 0.641 244 HD1 HIS 33 HD1 HIS 33 7.896 0.790 2.351 245 HD2 HIS 33 HD2 HIS 33 3.970 0.867 0.992 246 HE1 HIS 33 HE1 HIS 33 7.057 -1.570 2.583 247 H SER 34 H SER 34 8.061 4.849 1.017 248 HA SER 34 HA SER 34 6.783 7.452 1.543 249 HB2 SER 34 1HB SER 34 9.701 6.787 1.144 250 HB3 SER 34 2HB SER 34 9.073 8.428 0.993 251 HG SER 34 HG SER 34 8.581 6.864 3.291 252 H ASN 35 H ASN 35 6.090 8.576 -0.174 253 HA ASN 35 HA ASN 35 6.421 7.380 -2.808 254 HB2 ASN 35 1HB ASN 35 4.557 9.412 -1.631 255 HB3 ASN 35 2HB ASN 35 4.755 9.319 -3.379 256 HD21 ASN 35 1HD2 ASN 35 3.341 7.931 -0.607 257 HD22 ASN 35 2HD2 ASN 35 2.534 6.620 -1.392 258 H ILE 36 H ILE 36 7.885 8.077 -4.207 259 HA ILE 36 HA ILE 36 9.494 10.378 -3.671 260 HB ILE 36 HB ILE 36 10.389 8.355 -4.782 261 HG12 ILE 36 1HG1 ILE 36 10.624 10.714 -6.643 262 HG13 ILE 36 2HG1 ILE 36 11.350 10.715 -5.040 263 HG21 ILE 36 1HG2 ILE 36 9.907 8.320 -7.339 264 HG22 ILE 36 2HG2 ILE 36 8.770 7.566 -6.223 265 HG23 ILE 36 3HG2 ILE 36 8.428 9.165 -6.883 266 HD11 ILE 36 3HD1 ILE 36 12.870 10.090 -6.931 267 HD12 ILE 36 1HD1 ILE 36 12.797 8.934 -5.601 268 HD13 ILE 36 2HD1 ILE 36 11.927 8.609 -7.100 269 H LEU 37 H LEU 37 6.510 9.947 -5.177 270 HA LEU 37 HA LEU 37 6.824 12.345 -6.839 271 HB2 LEU 37 1HB LEU 37 4.667 11.682 -7.834 272 HB3 LEU 37 2HB LEU 37 5.926 10.462 -8.020 273 HG LEU 37 HG LEU 37 4.776 9.474 -5.845 274 HD11 LEU 37 1HD1 LEU 37 2.297 9.742 -6.086 275 HD12 LEU 37 2HD1 LEU 37 2.614 11.096 -7.170 276 HD13 LEU 37 3HD1 LEU 37 3.146 11.169 -5.490 277 HD21 LEU 37 3HD2 LEU 37 4.092 9.172 -8.735 278 HD22 LEU 37 1HD2 LEU 37 3.178 8.273 -7.523 279 HD23 LEU 37 2HD2 LEU 37 4.923 8.055 -7.652 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -26.393 -10.295 -2.848 2 HA2 GLY 1 1HA GLY 1 -26.630 -12.171 -4.413 3 HA3 GLY 1 2HA GLY 1 -26.198 -11.052 -5.697 4 H SER 2 H SER 2 -25.054 -13.283 -3.401 5 HA SER 2 HA SER 2 -22.280 -12.397 -3.695 6 HB2 SER 2 1HB SER 2 -21.764 -14.012 -1.931 7 HB3 SER 2 2HB SER 2 -23.080 -12.953 -1.424 8 HG SER 2 HG SER 2 -24.341 -14.872 -2.501 9 H SER 3 H SER 3 -23.431 -13.348 -6.027 10 HA SER 3 HA SER 3 -22.214 -16.012 -6.342 11 HB2 SER 3 1HB SER 3 -24.711 -15.721 -6.814 12 HB3 SER 3 2HB SER 3 -24.226 -14.779 -8.224 13 HG SER 3 HG SER 3 -24.354 -17.427 -7.965 14 H GLY 4 H GLY 4 -20.568 -13.769 -6.352 15 HA2 GLY 4 1HA GLY 4 -18.851 -14.062 -8.370 16 HA3 GLY 4 2HA GLY 4 -20.073 -13.054 -9.130 17 H SER 5 H SER 5 -18.869 -12.965 -5.797 18 HA SER 5 HA SER 5 -18.713 -10.174 -5.692 19 HB2 SER 5 1HB SER 5 -18.825 -11.487 -3.658 20 HB3 SER 5 2HB SER 5 -17.286 -12.263 -4.031 21 HG SER 5 HG SER 5 -17.570 -10.166 -2.591 22 H SER 6 H SER 6 -16.127 -12.577 -6.142 23 HA SER 6 HA SER 6 -13.990 -12.391 -6.910 24 HB2 SER 6 1HB SER 6 -15.417 -10.341 -8.606 25 HB3 SER 6 2HB SER 6 -13.722 -10.760 -8.855 26 HG SER 6 HG SER 6 -14.885 -13.044 -8.750 27 H GLY 7 H GLY 7 -14.402 -11.073 -4.504 28 HA2 GLY 7 1HA GLY 7 -13.364 -8.402 -4.589 29 HA3 GLY 7 2HA GLY 7 -13.605 -9.381 -3.150 30 H HIS 8 H HIS 8 -11.548 -9.627 -6.055 31 HA HIS 8 HA HIS 8 -9.423 -10.946 -4.900 32 HB2 HIS 8 1HB HIS 8 -9.497 -8.945 -7.155 33 HB3 HIS 8 2HB HIS 8 -8.025 -9.798 -6.700 34 HD1 HIS 8 HD1 HIS 8 -11.522 -11.243 -6.989 35 HD2 HIS 8 HD2 HIS 8 -7.774 -11.568 -8.752 36 HE1 HIS 8 HE1 HIS 8 -11.704 -13.159 -8.608 37 H LEU 9 H LEU 9 -7.996 -10.446 -3.378 38 HA LEU 9 HA LEU 9 -7.986 -7.922 -2.093 39 HB2 LEU 9 1HB LEU 9 -6.120 -10.278 -1.917 40 HB3 LEU 9 2HB LEU 9 -5.982 -8.850 -0.894 41 HG LEU 9 HG LEU 9 -8.456 -10.563 -0.973 42 HD11 LEU 9 1HD1 LEU 9 -6.809 -10.863 1.385 43 HD12 LEU 9 2HD1 LEU 9 -5.972 -11.401 -0.071 44 HD13 LEU 9 3HD1 LEU 9 -7.538 -12.093 0.351 45 HD21 LEU 9 3HD2 LEU 9 -7.404 -8.565 1.028 46 HD22 LEU 9 1HD2 LEU 9 -8.888 -9.505 1.189 47 HD23 LEU 9 2HD2 LEU 9 -8.739 -8.306 -0.097 48 H TYR 10 H TYR 10 -6.007 -6.601 -1.755 49 HA TYR 10 HA TYR 10 -4.399 -6.440 -4.220 50 HB2 TYR 10 1HB TYR 10 -5.680 -4.247 -2.604 51 HB3 TYR 10 2HB TYR 10 -4.313 -3.927 -3.666 52 HD1 TYR 10 HD1 TYR 10 -7.857 -4.852 -3.518 53 HD2 TYR 10 HD2 TYR 10 -4.560 -4.017 -6.075 54 HE1 TYR 10 HE1 TYR 10 -9.396 -4.642 -5.425 55 HE2 TYR 10 HE2 TYR 10 -6.091 -3.804 -7.989 56 HH TYR 10 HH TYR 10 -9.434 -3.531 -7.647 57 H TYR 11 H TYR 11 -2.246 -6.339 -3.985 58 HA TYR 11 HA TYR 11 -1.188 -6.315 -1.249 59 HB2 TYR 11 1HB TYR 11 -0.015 -7.314 -3.847 60 HB3 TYR 11 2HB TYR 11 0.882 -7.255 -2.334 61 HD1 TYR 11 HD1 TYR 11 -2.467 -8.473 -3.487 62 HD2 TYR 11 HD2 TYR 11 1.048 -9.258 -1.220 63 HE1 TYR 11 HE1 TYR 11 -3.360 -10.683 -2.879 64 HE2 TYR 11 HE2 TYR 11 0.165 -11.471 -0.607 65 HH TYR 11 HH TYR 11 -3.026 -12.347 -0.989 66 H CYS 12 H CYS 12 0.343 -4.877 -0.581 67 HA CYS 12 HA CYS 12 0.423 -2.329 -1.634 68 HB2 CYS 12 1HB CYS 12 1.141 -2.673 0.615 69 HB3 CYS 12 2HB CYS 12 2.407 -3.789 0.110 70 H SER 13 H SER 13 2.096 -1.138 -2.709 71 HA SER 13 HA SER 13 3.145 -2.528 -4.974 72 HB2 SER 13 1HB SER 13 2.368 -0.232 -5.205 73 HB3 SER 13 2HB SER 13 3.561 0.319 -4.029 74 HG SER 13 HG SER 13 5.140 -0.630 -5.580 75 H GLN 14 H GLN 14 4.687 -0.770 -2.284 76 HA GLN 14 HA GLN 14 7.326 -1.486 -2.973 77 HB2 GLN 14 1HB GLN 14 6.348 0.315 -1.293 78 HB3 GLN 14 2HB GLN 14 6.595 -0.977 -0.126 79 HG2 GLN 14 1HG GLN 14 8.532 0.355 -0.063 80 HG3 GLN 14 2HG GLN 14 8.969 -1.111 -0.938 81 HE21 GLN 14 1HE2 GLN 14 8.599 2.298 -1.082 82 HE22 GLN 14 2HE2 GLN 14 9.184 2.517 -2.692 83 H CYS 15 H CYS 15 5.231 -2.740 -0.370 84 HA CYS 15 HA CYS 15 6.848 -5.202 -0.388 85 HB2 CYS 15 1HB CYS 15 6.248 -5.530 1.922 86 HB3 CYS 15 2HB CYS 15 6.862 -3.890 1.739 87 H HIS 16 H HIS 16 5.493 -7.123 0.519 88 HA HIS 16 HA HIS 16 3.138 -7.327 -1.191 89 HB2 HIS 16 1HB HIS 16 4.692 -9.419 0.342 90 HB3 HIS 16 2HB HIS 16 3.281 -9.763 -0.653 91 HD1 HIS 16 HD1 HIS 16 3.974 -8.035 -3.112 92 HD2 HIS 16 HD2 HIS 16 6.665 -10.534 -1.170 93 HE1 HIS 16 HE1 HIS 16 5.746 -8.568 -4.815 94 H TYR 17 H TYR 17 2.604 -5.669 0.872 95 HA TYR 17 HA TYR 17 1.253 -7.242 2.936 96 HB2 TYR 17 1HB TYR 17 2.465 -5.494 3.925 97 HB3 TYR 17 2HB TYR 17 1.996 -4.340 2.681 98 HD1 TYR 17 HD1 TYR 17 0.722 -6.260 5.587 99 HD2 TYR 17 HD2 TYR 17 0.089 -2.982 2.950 100 HE1 TYR 17 HE1 TYR 17 -1.106 -5.463 7.027 101 HE2 TYR 17 HE2 TYR 17 -1.740 -2.175 4.383 102 HH TYR 17 HH TYR 17 -2.196 -2.779 7.299 103 H SER 18 H SER 18 -0.696 -7.937 2.327 104 HA SER 18 HA SER 18 -2.421 -6.153 0.760 105 HB2 SER 18 1HB SER 18 -2.062 -8.398 -0.174 106 HB3 SER 18 2HB SER 18 -2.685 -9.121 1.309 107 HG SER 18 HG SER 18 -4.576 -7.567 0.678 108 H SER 19 H SER 19 -4.306 -5.379 1.537 109 HA SER 19 HA SER 19 -5.327 -6.406 4.083 110 HB2 SER 19 1HB SER 19 -3.778 -4.259 4.226 111 HB3 SER 19 2HB SER 19 -5.258 -3.440 3.724 112 HG SER 19 HG SER 19 -6.287 -4.227 5.537 113 H ILE 20 H ILE 20 -7.535 -5.720 4.539 114 HA ILE 20 HA ILE 20 -9.168 -5.850 2.206 115 HB ILE 20 HB ILE 20 -10.015 -5.254 5.043 116 HG12 ILE 20 1HG1 ILE 20 -8.901 -7.340 5.130 117 HG13 ILE 20 2HG1 ILE 20 -10.610 -7.739 4.998 118 HG21 ILE 20 1HG2 ILE 20 -11.537 -4.886 2.909 119 HG22 ILE 20 2HG2 ILE 20 -11.757 -6.627 3.070 120 HG23 ILE 20 3HG2 ILE 20 -12.183 -5.558 4.406 121 HD11 ILE 20 3HD1 ILE 20 -8.603 -7.767 2.757 122 HD12 ILE 20 1HD1 ILE 20 -9.273 -9.174 3.583 123 HD13 ILE 20 2HD1 ILE 20 -10.319 -8.145 2.605 124 H THR 21 H THR 21 -10.402 -4.302 1.233 125 HA THR 21 HA THR 21 -11.233 -2.241 0.692 126 HB THR 21 HB THR 21 -10.139 -1.149 3.280 127 HG1 THR 21 HG1 THR 21 -12.611 -2.501 2.829 128 HG21 THR 21 3HG2 THR 21 -12.726 -0.327 2.071 129 HG22 THR 21 1HG2 THR 21 -11.246 0.207 1.277 130 HG23 THR 21 2HG2 THR 21 -11.542 0.627 2.964 131 H LYS 22 H LYS 22 -9.006 -2.883 -0.531 132 HA LYS 22 HA LYS 22 -6.624 -1.711 -0.306 133 HB2 LYS 22 1HB LYS 22 -7.207 -2.989 -2.276 134 HB3 LYS 22 2HB LYS 22 -8.327 -1.739 -2.803 135 HG2 LYS 22 1HG LYS 22 -5.487 -0.978 -2.403 136 HG3 LYS 22 2HG LYS 22 -5.897 -1.960 -3.811 137 HD2 LYS 22 1HD LYS 22 -7.407 0.548 -3.137 138 HD3 LYS 22 2HD LYS 22 -5.920 0.586 -4.087 139 HE2 LYS 22 1HE LYS 22 -6.953 -1.004 -5.681 140 HE3 LYS 22 2HE LYS 22 -8.451 -0.912 -4.757 141 HZ1 LYS 22 3HZ LYS 22 -7.394 0.914 -6.688 142 HZ2 LYS 22 1HZ LYS 22 -7.814 1.691 -5.245 143 HZ3 LYS 22 2HZ LYS 22 -8.968 0.780 -6.081 144 H ASN 23 H ASN 23 -9.576 -0.004 -1.223 145 HA ASN 23 HA ASN 23 -8.730 2.424 -2.034 146 HB2 ASN 23 1HB ASN 23 -11.123 1.573 -1.427 147 HB3 ASN 23 2HB ASN 23 -10.807 2.330 0.131 148 HD21 ASN 23 1HD2 ASN 23 -11.432 4.348 0.314 149 HD22 ASN 23 2HD2 ASN 23 -11.643 5.473 -0.980 150 H CYS 24 H CYS 24 -8.974 1.440 1.378 151 HA CYS 24 HA CYS 24 -7.762 3.865 2.319 152 HB2 CYS 24 1HB CYS 24 -8.581 1.283 3.629 153 HB3 CYS 24 2HB CYS 24 -7.671 2.503 4.513 154 HG CYS 24 HG CYS 24 -10.798 2.297 4.428 155 H LEU 25 H LEU 25 -6.709 0.526 1.833 156 HA LEU 25 HA LEU 25 -4.297 0.395 3.024 157 HB2 LEU 25 1HB LEU 25 -4.995 -1.463 1.773 158 HB3 LEU 25 2HB LEU 25 -5.129 -0.520 0.291 159 HG LEU 25 HG LEU 25 -2.530 -0.278 0.581 160 HD11 LEU 25 1HD1 LEU 25 -2.689 -3.009 1.702 161 HD12 LEU 25 2HD1 LEU 25 -2.924 -1.670 2.825 162 HD13 LEU 25 3HD1 LEU 25 -1.440 -1.776 1.879 163 HD21 LEU 25 3HD2 LEU 25 -3.993 -2.710 -0.425 164 HD22 LEU 25 1HD2 LEU 25 -2.275 -2.425 -0.705 165 HD23 LEU 25 2HD2 LEU 25 -3.471 -1.297 -1.345 166 H LYS 26 H LYS 26 -5.003 2.152 0.042 167 HA LYS 26 HA LYS 26 -2.623 2.860 -0.961 168 HB2 LYS 26 1HB LYS 26 -4.982 3.762 -1.517 169 HB3 LYS 26 2HB LYS 26 -4.611 5.037 -0.364 170 HG2 LYS 26 1HG LYS 26 -4.020 5.969 -2.397 171 HG3 LYS 26 2HG LYS 26 -2.479 5.387 -1.762 172 HD2 LYS 26 1HD LYS 26 -2.791 3.309 -3.109 173 HD3 LYS 26 2HD LYS 26 -4.220 4.051 -3.832 174 HE2 LYS 26 1HE LYS 26 -2.728 5.958 -4.535 175 HE3 LYS 26 2HE LYS 26 -1.359 4.969 -4.030 176 HZ1 LYS 26 3HZ LYS 26 -2.556 3.238 -5.591 177 HZ2 LYS 26 1HZ LYS 26 -1.472 4.383 -6.203 178 HZ3 LYS 26 2HZ LYS 26 -3.138 4.647 -6.325 179 H ARG 27 H ARG 27 -4.016 4.205 2.002 180 HA ARG 27 HA ARG 27 -2.120 6.165 2.538 181 HB2 ARG 27 1HB ARG 27 -4.311 5.658 3.766 182 HB3 ARG 27 2HB ARG 27 -3.390 4.471 4.680 183 HG2 ARG 27 1HG ARG 27 -1.831 6.322 5.333 184 HG3 ARG 27 2HG ARG 27 -2.976 7.447 4.598 185 HD2 ARG 27 1HD ARG 27 -3.328 7.278 7.006 186 HD3 ARG 27 2HD ARG 27 -4.722 6.671 6.114 187 HE ARG 27 HE ARG 27 -2.901 5.137 7.769 188 HH11 ARG 27 1HH1 ARG 27 -5.435 5.099 5.383 189 HH12 ARG 27 2HH1 ARG 27 -5.912 3.469 5.726 190 HH21 ARG 27 1HH2 ARG 27 -3.518 2.990 8.229 191 HH22 ARG 27 2HH2 ARG 27 -4.821 2.271 7.346 192 H HIS 28 H HIS 28 -2.178 2.800 3.718 193 HA HIS 28 HA HIS 28 0.049 2.644 5.219 194 HB2 HIS 28 1HB HIS 28 -0.962 0.593 5.024 195 HB3 HIS 28 2HB HIS 28 -1.190 0.751 3.285 196 HD1 HIS 28 HD1 HIS 28 0.859 -0.929 5.734 197 HD2 HIS 28 HD2 HIS 28 1.360 0.375 1.821 198 HE1 HIS 28 HE1 HIS 28 2.853 -2.185 4.857 199 H VAL 29 H VAL 29 0.081 2.325 1.668 200 HA VAL 29 HA VAL 29 2.786 2.050 1.254 201 HB VAL 29 HB VAL 29 0.859 3.627 -0.458 202 HG11 VAL 29 1HG1 VAL 29 3.628 2.581 -0.956 203 HG12 VAL 29 2HG1 VAL 29 2.499 2.882 -2.278 204 HG13 VAL 29 3HG1 VAL 29 2.994 4.205 -1.222 205 HG21 VAL 29 3HG2 VAL 29 1.707 0.747 -0.729 206 HG22 VAL 29 1HG2 VAL 29 0.211 1.267 0.047 207 HG23 VAL 29 2HG2 VAL 29 0.477 1.598 -1.664 208 H ILE 30 H ILE 30 0.958 4.999 1.863 209 HA ILE 30 HA ILE 30 3.236 6.716 1.453 210 HB ILE 30 HB ILE 30 0.583 7.380 2.733 211 HG12 ILE 30 1HG1 ILE 30 1.309 8.096 -0.081 212 HG13 ILE 30 2HG1 ILE 30 0.715 6.476 0.263 213 HG21 ILE 30 1HG2 ILE 30 2.574 9.227 1.433 214 HG22 ILE 30 2HG2 ILE 30 1.129 9.666 2.343 215 HG23 ILE 30 3HG2 ILE 30 2.502 8.930 3.170 216 HD11 ILE 30 3HD1 ILE 30 -1.058 7.994 -0.469 217 HD12 ILE 30 1HD1 ILE 30 -1.332 7.388 1.164 218 HD13 ILE 30 2HD1 ILE 30 -0.733 9.029 0.921 219 H GLN 31 H GLN 31 1.659 5.146 4.144 220 HA GLN 31 HA GLN 31 3.055 6.663 6.152 221 HB2 GLN 31 1HB GLN 31 0.849 5.748 6.638 222 HB3 GLN 31 2HB GLN 31 1.438 4.116 6.348 223 HG2 GLN 31 1HG GLN 31 1.431 4.260 8.649 224 HG3 GLN 31 2HG GLN 31 3.108 4.620 8.242 225 HE21 GLN 31 1HE2 GLN 31 2.441 5.390 10.633 226 HE22 GLN 31 2HE2 GLN 31 2.157 7.091 10.732 227 H LYS 32 H LYS 32 3.038 3.149 5.554 228 HA LYS 32 HA LYS 32 5.396 2.588 6.910 229 HB2 LYS 32 1HB LYS 32 4.143 1.152 4.564 230 HB3 LYS 32 2HB LYS 32 5.456 0.499 5.534 231 HG2 LYS 32 1HG LYS 32 2.733 1.241 6.583 232 HG3 LYS 32 2HG LYS 32 3.262 -0.394 6.178 233 HD2 LYS 32 1HD LYS 32 5.038 -0.224 7.863 234 HD3 LYS 32 2HD LYS 32 4.487 1.402 8.274 235 HE2 LYS 32 1HE LYS 32 3.562 -0.053 9.897 236 HE3 LYS 32 2HE LYS 32 2.246 0.381 8.808 237 HZ1 LYS 32 3HZ LYS 32 1.899 -1.793 8.625 238 HZ2 LYS 32 1HZ LYS 32 3.370 -2.188 9.362 239 HZ3 LYS 32 2HZ LYS 32 3.314 -1.870 7.702 240 H HIS 33 H HIS 33 4.892 3.480 3.530 241 HA HIS 33 HA HIS 33 7.815 3.720 3.233 242 HB2 HIS 33 1HB HIS 33 5.898 3.376 0.935 243 HB3 HIS 33 2HB HIS 33 7.644 3.143 0.946 244 HD1 HIS 33 HD1 HIS 33 8.409 1.048 2.598 245 HD2 HIS 33 HD2 HIS 33 4.518 1.063 1.141 246 HE1 HIS 33 HE1 HIS 33 7.594 -1.319 2.835 247 H SER 34 H SER 34 8.649 5.609 2.474 248 HA SER 34 HA SER 34 6.757 7.838 2.210 249 HB2 SER 34 1HB SER 34 9.695 7.754 2.911 250 HB3 SER 34 2HB SER 34 8.829 9.254 2.579 251 HG SER 34 HG SER 34 7.329 8.473 4.283 252 H ASN 35 H ASN 35 6.203 7.473 0.033 253 HA ASN 35 HA ASN 35 8.198 7.332 -2.017 254 HB2 ASN 35 1HB ASN 35 5.204 7.596 -2.002 255 HB3 ASN 35 2HB ASN 35 6.111 7.787 -3.499 256 HD21 ASN 35 1HD2 ASN 35 4.439 5.861 -3.674 257 HD22 ASN 35 2HD2 ASN 35 5.152 4.303 -3.456 258 H ILE 36 H ILE 36 9.485 9.075 -2.217 259 HA ILE 36 HA ILE 36 8.183 11.704 -2.511 260 HB ILE 36 HB ILE 36 10.119 12.777 -1.668 261 HG12 ILE 36 1HG1 ILE 36 11.758 11.291 -2.828 262 HG13 ILE 36 2HG1 ILE 36 12.202 11.664 -1.166 263 HG21 ILE 36 1HG2 ILE 36 9.188 12.284 0.305 264 HG22 ILE 36 2HG2 ILE 36 8.916 10.601 -0.143 265 HG23 ILE 36 3HG2 ILE 36 10.490 11.107 0.471 266 HD11 ILE 36 3HD1 ILE 36 11.441 9.097 -2.400 267 HD12 ILE 36 1HD1 ILE 36 12.602 9.448 -1.120 268 HD13 ILE 36 2HD1 ILE 36 10.877 9.385 -0.754 269 H LEU 37 H LEU 37 8.663 12.948 -4.268 270 HA LEU 37 HA LEU 37 10.288 11.662 -6.354 271 HB2 LEU 37 1HB LEU 37 7.897 13.449 -6.424 272 HB3 LEU 37 2HB LEU 37 8.997 13.410 -7.801 273 HG LEU 37 HG LEU 37 7.627 10.963 -6.697 274 HD11 LEU 37 1HD1 LEU 37 6.430 11.458 -9.081 275 HD12 LEU 37 2HD1 LEU 37 6.630 13.092 -8.449 276 HD13 LEU 37 3HD1 LEU 37 5.752 11.885 -7.510 277 HD21 LEU 37 3HD2 LEU 37 8.554 9.807 -8.412 278 HD22 LEU 37 1HD2 LEU 37 9.799 11.045 -8.249 279 HD23 LEU 37 2HD2 LEU 37 8.561 11.199 -9.496 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -10.988 -13.253 -14.339 2 HA2 GLY 1 1HA GLY 1 -12.098 -14.129 -11.972 3 HA3 GLY 1 2HA GLY 1 -10.482 -13.450 -12.106 4 H SER 2 H SER 2 -10.490 -10.961 -12.258 5 HA SER 2 HA SER 2 -11.625 -9.974 -9.863 6 HB2 SER 2 1HB SER 2 -10.806 -7.733 -10.752 7 HB3 SER 2 2HB SER 2 -9.581 -8.991 -10.589 8 HG SER 2 HG SER 2 -10.863 -8.917 -13.030 9 H SER 3 H SER 3 -12.745 -10.089 -13.126 10 HA SER 3 HA SER 3 -14.509 -9.071 -14.207 11 HB2 SER 3 1HB SER 3 -16.608 -9.714 -13.261 12 HB3 SER 3 2HB SER 3 -15.449 -10.966 -12.812 13 HG SER 3 HG SER 3 -16.718 -9.053 -11.228 14 H GLY 4 H GLY 4 -12.927 -7.111 -13.010 15 HA2 GLY 4 1HA GLY 4 -13.489 -4.757 -13.107 16 HA3 GLY 4 2HA GLY 4 -14.996 -5.137 -12.286 17 H SER 5 H SER 5 -11.635 -6.045 -11.558 18 HA SER 5 HA SER 5 -10.567 -6.076 -9.518 19 HB2 SER 5 1HB SER 5 -11.352 -3.218 -10.026 20 HB3 SER 5 2HB SER 5 -10.425 -3.653 -8.590 21 HG SER 5 HG SER 5 -8.726 -3.799 -9.801 22 H SER 6 H SER 6 -13.127 -7.057 -9.183 23 HA SER 6 HA SER 6 -14.821 -5.899 -7.374 24 HB2 SER 6 1HB SER 6 -13.999 -8.798 -7.616 25 HB3 SER 6 2HB SER 6 -15.335 -8.250 -6.604 26 HG SER 6 HG SER 6 -15.201 -7.558 -9.334 27 H GLY 7 H GLY 7 -14.945 -5.652 -5.177 28 HA2 GLY 7 1HA GLY 7 -12.816 -5.029 -3.651 29 HA3 GLY 7 2HA GLY 7 -14.276 -5.718 -2.958 30 H HIS 8 H HIS 8 -10.966 -6.156 -3.522 31 HA HIS 8 HA HIS 8 -11.039 -8.708 -2.138 32 HB2 HIS 8 1HB HIS 8 -11.150 -9.221 -4.604 33 HB3 HIS 8 2HB HIS 8 -9.564 -8.472 -4.765 34 HD1 HIS 8 HD1 HIS 8 -8.591 -10.758 -5.554 35 HD2 HIS 8 HD2 HIS 8 -10.107 -10.766 -1.685 36 HE1 HIS 8 HE1 HIS 8 -7.730 -12.873 -4.498 37 H LEU 9 H LEU 9 -9.252 -9.069 -0.898 38 HA LEU 9 HA LEU 9 -7.663 -6.956 -0.094 39 HB2 LEU 9 1HB LEU 9 -7.487 -9.911 0.183 40 HB3 LEU 9 2HB LEU 9 -6.084 -8.948 0.639 41 HG LEU 9 HG LEU 9 -7.614 -9.571 2.522 42 HD11 LEU 9 1HD1 LEU 9 -6.057 -7.509 2.353 43 HD12 LEU 9 2HD1 LEU 9 -7.245 -7.589 3.653 44 HD13 LEU 9 3HD1 LEU 9 -7.561 -6.597 2.230 45 HD21 LEU 9 3HD2 LEU 9 -9.783 -9.430 1.777 46 HD22 LEU 9 1HD2 LEU 9 -9.490 -7.949 0.866 47 HD23 LEU 9 2HD2 LEU 9 -9.621 -7.891 2.624 48 H TYR 10 H TYR 10 -6.241 -5.836 -1.240 49 HA TYR 10 HA TYR 10 -4.871 -7.030 -3.496 50 HB2 TYR 10 1HB TYR 10 -5.151 -4.257 -2.404 51 HB3 TYR 10 2HB TYR 10 -3.835 -4.613 -3.517 52 HD1 TYR 10 HD1 TYR 10 -7.466 -4.296 -3.151 53 HD2 TYR 10 HD2 TYR 10 -4.283 -5.138 -5.846 54 HE1 TYR 10 HE1 TYR 10 -9.004 -4.009 -5.048 55 HE2 TYR 10 HE2 TYR 10 -5.812 -4.852 -7.751 56 HH TYR 10 HH TYR 10 -8.307 -3.350 -7.898 57 H TYR 11 H TYR 11 -2.488 -6.521 -3.763 58 HA TYR 11 HA TYR 11 -1.083 -6.958 -1.209 59 HB2 TYR 11 1HB TYR 11 0.025 -7.990 -3.789 60 HB3 TYR 11 2HB TYR 11 0.273 -8.584 -2.150 61 HD1 TYR 11 HD2 TYR 11 -2.350 -9.081 -1.117 62 HD2 TYR 11 HD1 TYR 11 -0.906 -9.664 -5.076 63 HE1 TYR 11 HE2 TYR 11 -4.062 -10.809 -1.480 64 HE2 TYR 11 HE1 TYR 11 -2.615 -11.393 -5.451 65 HH TYR 11 HH TYR 11 -4.219 -12.629 -4.519 66 H CYS 12 H CYS 12 0.227 -5.348 -0.698 67 HA CYS 12 HA CYS 12 0.774 -3.117 -2.202 68 HB2 CYS 12 1HB CYS 12 1.195 -3.371 0.247 69 HB3 CYS 12 2HB CYS 12 2.634 -4.311 -0.137 70 H SER 13 H SER 13 2.542 -2.392 -3.422 71 HA SER 13 HA SER 13 3.811 -4.472 -4.984 72 HB2 SER 13 1HB SER 13 3.446 -1.528 -5.235 73 HB3 SER 13 2HB SER 13 4.835 -2.244 -6.053 74 HG SER 13 HG SER 13 2.307 -3.427 -6.339 75 H GLN 14 H GLN 14 4.887 -1.712 -3.010 76 HA GLN 14 HA GLN 14 7.631 -2.148 -3.219 77 HB2 GLN 14 1HB GLN 14 5.986 -0.920 -1.009 78 HB3 GLN 14 2HB GLN 14 7.744 -0.923 -1.004 79 HG2 GLN 14 1HG GLN 14 7.153 1.166 -1.849 80 HG3 GLN 14 2HG GLN 14 7.596 0.219 -3.268 81 HE21 GLN 14 1HE2 GLN 14 4.684 0.704 -1.291 82 HE22 GLN 14 2HE2 GLN 14 3.619 0.977 -2.624 83 H CYS 15 H CYS 15 5.331 -3.350 -0.794 84 HA CYS 15 HA CYS 15 7.321 -5.394 -0.059 85 HB2 CYS 15 1HB CYS 15 6.528 -5.313 2.239 86 HB3 CYS 15 2HB CYS 15 7.056 -3.711 1.734 87 H HIS 16 H HIS 16 6.206 -7.280 1.120 88 HA HIS 16 HA HIS 16 3.975 -8.130 -0.559 89 HB2 HIS 16 1HB HIS 16 5.558 -9.769 1.427 90 HB3 HIS 16 2HB HIS 16 4.477 -10.373 0.176 91 HD1 HIS 16 HD1 HIS 16 5.520 -10.923 -2.018 92 HD2 HIS 16 HD2 HIS 16 7.960 -8.505 0.320 93 HE1 HIS 16 HE1 HIS 16 7.699 -10.763 -3.262 94 H TYR 17 H TYR 17 3.024 -6.271 1.066 95 HA TYR 17 HA TYR 17 1.767 -7.703 3.311 96 HB2 TYR 17 1HB TYR 17 2.849 -5.843 4.231 97 HB3 TYR 17 2HB TYR 17 2.433 -4.807 2.871 98 HD1 TYR 17 HD1 TYR 17 0.860 -6.676 5.690 99 HD2 TYR 17 HD2 TYR 17 0.639 -3.341 3.056 100 HE1 TYR 17 HE1 TYR 17 -1.077 -5.823 6.942 101 HE2 TYR 17 HE2 TYR 17 -1.298 -2.479 4.302 102 HH TYR 17 HH TYR 17 -2.402 -2.660 6.346 103 H SER 18 H SER 18 -0.325 -8.166 3.187 104 HA SER 18 HA SER 18 -1.896 -6.957 1.023 105 HB2 SER 18 1HB SER 18 -2.525 -9.421 2.667 106 HB3 SER 18 2HB SER 18 -3.381 -8.870 1.226 107 HG SER 18 HG SER 18 -1.010 -9.033 0.367 108 H SER 19 H SER 19 -3.625 -5.707 1.410 109 HA SER 19 HA SER 19 -4.802 -5.652 4.086 110 HB2 SER 19 1HB SER 19 -3.063 -3.897 4.077 111 HB3 SER 19 2HB SER 19 -3.822 -3.163 2.664 112 HG SER 19 HG SER 19 -5.158 -2.211 3.960 113 H ILE 20 H ILE 20 -6.696 -3.931 4.011 114 HA ILE 20 HA ILE 20 -8.648 -4.922 2.299 115 HB ILE 20 HB ILE 20 -9.052 -3.630 4.414 116 HG12 ILE 20 1HG1 ILE 20 -11.087 -2.426 3.478 117 HG13 ILE 20 2HG1 ILE 20 -10.514 -2.887 1.879 118 HG21 ILE 20 1HG2 ILE 20 -7.809 -1.552 2.827 119 HG22 ILE 20 2HG2 ILE 20 -9.369 -1.044 3.472 120 HG23 ILE 20 3HG2 ILE 20 -8.109 -1.618 4.564 121 HD11 ILE 20 3HD1 ILE 20 -11.435 -4.676 4.104 122 HD12 ILE 20 1HD1 ILE 20 -12.134 -4.477 2.498 123 HD13 ILE 20 2HD1 ILE 20 -10.571 -5.273 2.688 124 H THR 21 H THR 21 -9.755 -3.966 0.520 125 HA THR 21 HA THR 21 -8.435 -3.336 -1.690 126 HB THR 21 HB THR 21 -10.359 -1.852 -2.404 127 HG1 THR 21 HG1 THR 21 -10.705 -1.430 0.067 128 HG21 THR 21 3HG2 THR 21 -11.347 -3.753 -3.022 129 HG22 THR 21 1HG2 THR 21 -11.830 -4.102 -1.363 130 HG23 THR 21 2HG2 THR 21 -10.246 -4.612 -1.946 131 H LYS 22 H LYS 22 -7.554 -1.572 -2.752 132 HA LYS 22 HA LYS 22 -5.975 0.190 -1.457 133 HB2 LYS 22 1HB LYS 22 -5.896 1.528 -3.454 134 HB3 LYS 22 2HB LYS 22 -6.044 -0.160 -3.924 135 HG2 LYS 22 1HG LYS 22 -7.573 0.753 -5.330 136 HG3 LYS 22 2HG LYS 22 -8.618 0.443 -3.941 137 HD2 LYS 22 1HD LYS 22 -9.171 2.620 -4.354 138 HD3 LYS 22 2HD LYS 22 -7.813 2.870 -3.254 139 HE2 LYS 22 1HE LYS 22 -7.437 2.737 -6.230 140 HE3 LYS 22 2HE LYS 22 -7.873 4.240 -5.419 141 HZ1 LYS 22 3HZ LYS 22 -5.841 3.587 -3.925 142 HZ2 LYS 22 1HZ LYS 22 -5.615 4.393 -5.395 143 HZ3 LYS 22 2HZ LYS 22 -5.371 2.722 -5.301 144 H ASN 23 H ASN 23 -9.412 0.396 -1.765 145 HA ASN 23 HA ASN 23 -10.111 2.974 -1.517 146 HB2 ASN 23 1HB ASN 23 -11.137 0.500 -0.220 147 HB3 ASN 23 2HB ASN 23 -11.737 2.039 0.391 148 HD21 ASN 23 1HD2 ASN 23 -11.542 -0.066 -2.381 149 HD22 ASN 23 2HD2 ASN 23 -12.828 0.666 -3.274 150 H CYS 24 H CYS 24 -8.344 1.129 0.852 151 HA CYS 24 HA CYS 24 -8.011 3.579 2.438 152 HB2 CYS 24 1HB CYS 24 -8.938 0.903 3.348 153 HB3 CYS 24 2HB CYS 24 -7.829 1.771 4.402 154 HG CYS 24 HG CYS 24 -10.905 1.994 4.611 155 H LEU 25 H LEU 25 -6.783 0.310 1.795 156 HA LEU 25 HA LEU 25 -4.386 0.249 2.998 157 HB2 LEU 25 1HB LEU 25 -4.703 -1.607 1.727 158 HB3 LEU 25 2HB LEU 25 -5.325 -0.694 0.355 159 HG LEU 25 HG LEU 25 -2.947 0.024 -0.095 160 HD11 LEU 25 1HD1 LEU 25 -1.613 -2.154 1.071 161 HD12 LEU 25 2HD1 LEU 25 -2.542 -1.391 2.360 162 HD13 LEU 25 3HD1 LEU 25 -1.396 -0.438 1.418 163 HD21 LEU 25 3HD2 LEU 25 -2.796 -1.653 -1.575 164 HD22 LEU 25 1HD2 LEU 25 -4.352 -2.160 -0.918 165 HD23 LEU 25 2HD2 LEU 25 -2.863 -2.895 -0.324 166 H LYS 26 H LYS 26 -5.180 2.193 0.174 167 HA LYS 26 HA LYS 26 -2.858 3.059 -0.829 168 HB2 LYS 26 1HB LYS 26 -3.867 5.314 -1.101 169 HB3 LYS 26 2HB LYS 26 -4.953 4.008 -1.560 170 HG2 LYS 26 1HG LYS 26 -5.905 4.219 0.806 171 HG3 LYS 26 2HG LYS 26 -5.054 5.765 0.864 172 HD2 LYS 26 1HD LYS 26 -6.946 5.042 -1.361 173 HD3 LYS 26 2HD LYS 26 -7.485 5.827 0.125 174 HE2 LYS 26 1HE LYS 26 -5.226 6.965 -1.480 175 HE3 LYS 26 2HE LYS 26 -6.900 7.286 -1.930 176 HZ1 LYS 26 3HZ LYS 26 -5.352 8.359 0.239 177 HZ2 LYS 26 1HZ LYS 26 -6.871 7.795 0.727 178 HZ3 LYS 26 2HZ LYS 26 -6.754 8.963 -0.490 179 H ARG 27 H ARG 27 -4.177 4.097 2.289 180 HA ARG 27 HA ARG 27 -2.312 6.043 2.948 181 HB2 ARG 27 1HB ARG 27 -2.996 5.772 5.212 182 HB3 ARG 27 2HB ARG 27 -4.409 5.445 4.217 183 HG2 ARG 27 1HG ARG 27 -3.916 3.010 4.451 184 HG3 ARG 27 2HG ARG 27 -2.654 3.438 5.607 185 HD2 ARG 27 1HD ARG 27 -4.560 4.757 6.788 186 HD3 ARG 27 2HD ARG 27 -5.622 3.706 5.851 187 HE ARG 27 HE ARG 27 -3.971 1.937 6.993 188 HH11 ARG 27 1HH1 ARG 27 -5.731 4.639 8.305 189 HH12 ARG 27 2HH1 ARG 27 -5.914 3.926 9.873 190 HH21 ARG 27 1HH2 ARG 27 -4.206 0.987 9.054 191 HH22 ARG 27 2HH2 ARG 27 -5.046 1.849 10.298 192 H HIS 28 H HIS 28 -2.214 2.564 3.710 193 HA HIS 28 HA HIS 28 0.102 2.371 5.118 194 HB2 HIS 28 1HB HIS 28 -0.908 0.322 4.843 195 HB3 HIS 28 2HB HIS 28 -1.214 0.582 3.128 196 HD1 HIS 28 HD1 HIS 28 0.881 -1.306 5.329 197 HD2 HIS 28 HD2 HIS 28 1.362 0.444 1.592 198 HE1 HIS 28 HE1 HIS 28 2.877 -2.444 4.306 199 H VAL 29 H VAL 29 -0.180 2.629 1.595 200 HA VAL 29 HA VAL 29 2.476 2.287 0.886 201 HB VAL 29 HB VAL 29 0.459 4.150 -0.374 202 HG11 VAL 29 1HG1 VAL 29 2.428 3.032 -2.161 203 HG12 VAL 29 2HG1 VAL 29 1.977 4.718 -1.898 204 HG13 VAL 29 3HG1 VAL 29 3.196 3.959 -0.873 205 HG21 VAL 29 3HG2 VAL 29 1.211 1.440 -1.399 206 HG22 VAL 29 1HG2 VAL 29 -0.007 1.611 -0.135 207 HG23 VAL 29 2HG2 VAL 29 -0.247 2.384 -1.702 208 H ILE 30 H ILE 30 0.815 5.213 1.979 209 HA ILE 30 HA ILE 30 3.136 6.876 1.675 210 HB ILE 30 HB ILE 30 0.562 7.393 3.169 211 HG12 ILE 30 1HG1 ILE 30 0.418 8.994 1.033 212 HG13 ILE 30 2HG1 ILE 30 1.425 7.728 0.339 213 HG21 ILE 30 1HG2 ILE 30 1.787 9.788 2.327 214 HG22 ILE 30 2HG2 ILE 30 1.532 9.217 3.976 215 HG23 ILE 30 3HG2 ILE 30 3.030 8.829 3.130 216 HD11 ILE 30 3HD1 ILE 30 -0.641 6.383 1.631 217 HD12 ILE 30 1HD1 ILE 30 -1.405 7.757 0.832 218 HD13 ILE 30 2HD1 ILE 30 -0.435 6.619 -0.105 219 H GLN 31 H GLN 31 1.531 5.214 4.344 220 HA GLN 31 HA GLN 31 3.129 6.316 6.407 221 HB2 GLN 31 1HB GLN 31 1.577 3.723 6.320 222 HB3 GLN 31 2HB GLN 31 2.267 4.435 7.772 223 HG2 GLN 31 1HG GLN 31 0.849 6.460 7.324 224 HG3 GLN 31 2HG GLN 31 0.044 5.519 6.068 225 HE21 GLN 31 1HE2 GLN 31 -1.338 6.574 8.202 226 HE22 GLN 31 2HE2 GLN 31 -1.896 5.290 9.214 227 H LYS 32 H LYS 32 3.127 2.931 5.290 228 HA LYS 32 HA LYS 32 5.622 2.292 6.384 229 HB2 LYS 32 1HB LYS 32 4.024 1.059 4.146 230 HB3 LYS 32 2HB LYS 32 5.553 0.380 4.689 231 HG2 LYS 32 1HG LYS 32 3.485 0.915 6.743 232 HG3 LYS 32 2HG LYS 32 3.222 -0.438 5.640 233 HD2 LYS 32 1HD LYS 32 4.387 -1.490 7.311 234 HD3 LYS 32 2HD LYS 32 5.719 -0.997 6.262 235 HE2 LYS 32 1HE LYS 32 4.830 0.905 8.362 236 HE3 LYS 32 2HE LYS 32 5.722 -0.526 8.877 237 HZ1 LYS 32 3HZ LYS 32 6.773 1.818 7.877 238 HZ2 LYS 32 1HZ LYS 32 6.973 0.682 6.639 239 HZ3 LYS 32 2HZ LYS 32 7.605 0.376 8.177 240 H HIS 33 H HIS 33 4.734 3.506 3.194 241 HA HIS 33 HA HIS 33 7.598 3.918 2.641 242 HB2 HIS 33 1HB HIS 33 5.590 3.547 0.441 243 HB3 HIS 33 2HB HIS 33 7.336 3.327 0.394 244 HD1 HIS 33 HD1 HIS 33 8.212 1.164 1.804 245 HD2 HIS 33 HD2 HIS 33 4.184 1.250 0.787 246 HE1 HIS 33 HE1 HIS 33 7.408 -1.207 2.042 247 H SER 34 H SER 34 7.081 5.987 3.767 248 HA SER 34 HA SER 34 5.381 7.881 2.445 249 HB2 SER 34 1HB SER 34 5.956 7.839 4.933 250 HB3 SER 34 2HB SER 34 7.515 8.528 4.480 251 HG SER 34 HG SER 34 6.481 10.354 4.596 252 H ASN 35 H ASN 35 6.989 6.980 0.499 253 HA ASN 35 HA ASN 35 9.174 8.894 0.168 254 HB2 ASN 35 1HB ASN 35 9.601 6.505 -0.325 255 HB3 ASN 35 2HB ASN 35 8.370 6.560 -1.583 256 HD21 ASN 35 1HD2 ASN 35 11.135 8.564 -0.605 257 HD22 ASN 35 2HD2 ASN 35 11.822 8.684 -2.186 258 H ILE 36 H ILE 36 6.613 10.005 0.131 259 HA ILE 36 HA ILE 36 5.854 10.394 -2.643 260 HB ILE 36 HB ILE 36 4.086 11.848 -1.755 261 HG12 ILE 36 1HG1 ILE 36 5.038 11.113 1.010 262 HG13 ILE 36 2HG1 ILE 36 5.531 12.606 0.219 263 HG21 ILE 36 1HG2 ILE 36 4.468 9.064 -0.817 264 HG22 ILE 36 2HG2 ILE 36 3.126 9.976 -0.128 265 HG23 ILE 36 3HG2 ILE 36 3.231 9.746 -1.873 266 HD11 ILE 36 3HD1 ILE 36 3.058 11.945 1.563 267 HD12 ILE 36 1HD1 ILE 36 3.723 13.517 1.121 268 HD13 ILE 36 2HD1 ILE 36 2.786 12.594 -0.054 269 H LEU 37 H LEU 37 8.033 11.765 -0.472 270 HA LEU 37 HA LEU 37 8.024 14.449 -0.778 271 HB2 LEU 37 1HB LEU 37 9.786 12.790 0.252 272 HB3 LEU 37 2HB LEU 37 10.609 13.054 -1.285 273 HG LEU 37 HG LEU 37 9.774 15.415 0.340 274 HD11 LEU 37 1HD1 LEU 37 11.697 15.336 1.705 275 HD12 LEU 37 2HD1 LEU 37 12.362 13.963 0.821 276 HD13 LEU 37 3HD1 LEU 37 10.940 13.748 1.841 277 HD21 LEU 37 3HD2 LEU 37 11.123 16.536 -1.046 278 HD22 LEU 37 1HD2 LEU 37 11.059 15.093 -2.059 279 HD23 LEU 37 2HD2 LEU 37 12.399 15.322 -0.935 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -7.176 -31.695 -9.999 2 HA2 GLY 1 1HA GLY 1 -5.403 -29.737 -9.713 3 HA3 GLY 1 2HA GLY 1 -7.124 -29.392 -9.617 4 H SER 2 H SER 2 -4.170 -29.293 -7.993 5 HA SER 2 HA SER 2 -5.267 -29.296 -5.319 6 HB2 SER 2 1HB SER 2 -2.503 -28.709 -6.395 7 HB3 SER 2 2HB SER 2 -2.914 -28.635 -4.681 8 HG SER 2 HG SER 2 -3.761 -30.903 -5.179 9 H SER 3 H SER 3 -6.619 -27.618 -4.966 10 HA SER 3 HA SER 3 -5.455 -24.932 -5.126 11 HB2 SER 3 1HB SER 3 -7.012 -25.451 -7.103 12 HB3 SER 3 2HB SER 3 -8.322 -25.426 -5.922 13 HG SER 3 HG SER 3 -6.495 -23.288 -6.086 14 H GLY 4 H GLY 4 -6.185 -23.478 -3.566 15 HA2 GLY 4 1HA GLY 4 -8.323 -23.566 -1.900 16 HA3 GLY 4 2HA GLY 4 -7.215 -24.719 -1.172 17 H SER 5 H SER 5 -6.557 -21.631 -2.798 18 HA SER 5 HA SER 5 -5.548 -20.579 -0.243 19 HB2 SER 5 1HB SER 5 -4.115 -20.812 -2.860 20 HB3 SER 5 2HB SER 5 -3.772 -19.427 -1.823 21 HG SER 5 HG SER 5 -3.794 -21.939 -0.624 22 H SER 6 H SER 6 -8.057 -20.015 -1.248 23 HA SER 6 HA SER 6 -8.414 -17.900 -2.948 24 HB2 SER 6 1HB SER 6 -9.865 -18.496 -0.361 25 HB3 SER 6 2HB SER 6 -10.418 -17.316 -1.549 26 HG SER 6 HG SER 6 -10.892 -19.894 -1.532 27 H GLY 7 H GLY 7 -8.890 -15.606 -2.468 28 HA2 GLY 7 1HA GLY 7 -7.876 -14.369 -0.114 29 HA3 GLY 7 2HA GLY 7 -6.709 -14.263 -1.423 30 H HIS 8 H HIS 8 -7.561 -13.358 -3.504 31 HA HIS 8 HA HIS 8 -8.475 -11.629 -4.665 32 HB2 HIS 8 1HB HIS 8 -10.716 -12.226 -2.741 33 HB3 HIS 8 2HB HIS 8 -10.845 -10.954 -3.952 34 HD1 HIS 8 HD1 HIS 8 -11.899 -14.239 -3.514 35 HD2 HIS 8 HD2 HIS 8 -10.010 -12.273 -6.649 36 HE1 HIS 8 HE1 HIS 8 -12.364 -15.629 -5.557 37 H LEU 9 H LEU 9 -6.602 -10.904 -2.810 38 HA LEU 9 HA LEU 9 -7.675 -8.372 -1.749 39 HB2 LEU 9 1HB LEU 9 -5.803 -10.360 -0.594 40 HB3 LEU 9 2HB LEU 9 -5.475 -8.658 -0.276 41 HG LEU 9 HG LEU 9 -6.729 -9.712 1.544 42 HD11 LEU 9 1HD1 LEU 9 -7.341 -7.573 1.742 43 HD12 LEU 9 2HD1 LEU 9 -8.880 -8.095 1.059 44 HD13 LEU 9 3HD1 LEU 9 -7.642 -7.400 0.013 45 HD21 LEU 9 3HD2 LEU 9 -8.801 -10.191 -0.593 46 HD22 LEU 9 1HD2 LEU 9 -9.105 -10.331 1.139 47 HD23 LEU 9 2HD2 LEU 9 -7.944 -11.405 0.358 48 H TYR 10 H TYR 10 -6.057 -6.611 -1.610 49 HA TYR 10 HA TYR 10 -4.390 -6.618 -4.019 50 HB2 TYR 10 1HB TYR 10 -5.440 -4.359 -2.308 51 HB3 TYR 10 2HB TYR 10 -4.348 -4.131 -3.670 52 HD1 TYR 10 HD2 TYR 10 -5.123 -4.587 -5.969 53 HD2 TYR 10 HD1 TYR 10 -7.770 -4.807 -2.645 54 HE1 TYR 10 HE2 TYR 10 -7.046 -4.495 -7.501 55 HE2 TYR 10 HE1 TYR 10 -9.699 -4.717 -4.167 56 HH TYR 10 HH TYR 10 -10.035 -5.388 -6.754 57 H TYR 11 H TYR 11 -2.252 -6.729 -3.892 58 HA TYR 11 HA TYR 11 -0.982 -6.583 -1.271 59 HB2 TYR 11 1HB TYR 11 0.443 -7.266 -3.826 60 HB3 TYR 11 2HB TYR 11 0.804 -7.790 -2.185 61 HD1 TYR 11 HD2 TYR 11 -0.611 -9.528 -1.108 62 HD2 TYR 11 HD1 TYR 11 -1.083 -8.473 -5.202 63 HE1 TYR 11 HE2 TYR 11 -1.859 -11.612 -1.494 64 HE2 TYR 11 HE1 TYR 11 -2.334 -10.553 -5.600 65 HH TYR 11 HH TYR 11 -3.488 -12.516 -3.067 66 H CYS 12 H CYS 12 0.800 -5.263 -0.815 67 HA CYS 12 HA CYS 12 0.729 -2.695 -2.101 68 HB2 CYS 12 1HB CYS 12 1.025 -2.638 0.247 69 HB3 CYS 12 2HB CYS 12 2.315 -3.835 0.193 70 H SER 13 H SER 13 2.168 -1.810 -3.486 71 HA SER 13 HA SER 13 3.778 -3.445 -5.081 72 HB2 SER 13 1HB SER 13 2.991 -1.366 -5.974 73 HB3 SER 13 2HB SER 13 3.769 -0.448 -4.685 74 HG SER 13 HG SER 13 5.149 -2.014 -6.608 75 H GLN 14 H GLN 14 4.619 -1.330 -2.369 76 HA GLN 14 HA GLN 14 7.418 -1.714 -2.547 77 HB2 GLN 14 1HB GLN 14 5.543 -0.629 -0.500 78 HB3 GLN 14 2HB GLN 14 7.173 -1.048 0.012 79 HG2 GLN 14 1HG GLN 14 6.726 1.356 -0.710 80 HG3 GLN 14 2HG GLN 14 8.151 0.550 -1.364 81 HE21 GLN 14 1HE2 GLN 14 4.844 1.503 -2.064 82 HE22 GLN 14 2HE2 GLN 14 5.024 1.552 -3.781 83 H CYS 15 H CYS 15 5.253 -2.889 0.032 84 HA CYS 15 HA CYS 15 6.976 -5.266 0.257 85 HB2 CYS 15 1HB CYS 15 6.212 -5.431 2.583 86 HB3 CYS 15 2HB CYS 15 6.954 -3.865 2.270 87 H HIS 16 H HIS 16 5.822 -7.241 1.080 88 HA HIS 16 HA HIS 16 3.542 -7.744 -0.610 89 HB2 HIS 16 1HB HIS 16 5.154 -9.469 1.265 90 HB3 HIS 16 2HB HIS 16 3.719 -10.067 0.438 91 HD1 HIS 16 HD1 HIS 16 4.198 -11.197 -1.700 92 HD2 HIS 16 HD2 HIS 16 7.112 -8.389 -0.760 93 HE1 HIS 16 HE1 HIS 16 5.915 -11.371 -3.530 94 H TYR 17 H TYR 17 2.734 -5.842 1.096 95 HA TYR 17 HA TYR 17 1.196 -7.216 3.190 96 HB2 TYR 17 1HB TYR 17 2.562 -5.378 4.012 97 HB3 TYR 17 2HB TYR 17 1.844 -4.282 2.836 98 HD1 TYR 17 HD2 TYR 17 -0.526 -3.588 3.084 99 HD2 TYR 17 HD1 TYR 17 1.453 -5.896 6.060 100 HE1 TYR 17 HE2 TYR 17 -2.280 -2.994 4.703 101 HE2 TYR 17 HE1 TYR 17 -0.296 -5.310 7.687 102 HH TYR 17 HH TYR 17 -2.222 -2.896 7.526 103 H SER 18 H SER 18 -0.803 -7.743 2.638 104 HA SER 18 HA SER 18 -2.318 -5.900 0.907 105 HB2 SER 18 1HB SER 18 -3.385 -7.742 -0.169 106 HB3 SER 18 2HB SER 18 -1.660 -8.109 -0.162 107 HG SER 18 HG SER 18 -2.203 -9.279 1.884 108 H SER 19 H SER 19 -4.274 -5.263 1.606 109 HA SER 19 HA SER 19 -5.578 -6.723 3.777 110 HB2 SER 19 1HB SER 19 -4.573 -3.900 3.924 111 HB3 SER 19 2HB SER 19 -6.021 -4.361 4.819 112 HG SER 19 HG SER 19 -3.664 -4.628 5.702 113 H ILE 20 H ILE 20 -7.817 -6.276 3.994 114 HA ILE 20 HA ILE 20 -9.180 -5.878 1.576 115 HB ILE 20 HB ILE 20 -10.094 -7.135 3.515 116 HG12 ILE 20 1HG1 ILE 20 -12.054 -4.959 2.883 117 HG13 ILE 20 2HG1 ILE 20 -11.451 -5.981 1.583 118 HG21 ILE 20 1HG2 ILE 20 -11.382 -5.086 4.943 119 HG22 ILE 20 2HG2 ILE 20 -10.126 -6.181 5.518 120 HG23 ILE 20 3HG2 ILE 20 -9.685 -4.622 4.823 121 HD11 ILE 20 3HD1 ILE 20 -12.543 -7.250 4.044 122 HD12 ILE 20 1HD1 ILE 20 -13.648 -6.588 2.839 123 HD13 ILE 20 2HD1 ILE 20 -12.502 -7.851 2.387 124 H THR 21 H THR 21 -10.672 -4.204 0.981 125 HA THR 21 HA THR 21 -11.342 -2.050 0.652 126 HB THR 21 HB THR 21 -10.113 -1.397 3.334 127 HG1 THR 21 HG1 THR 21 -11.637 -2.627 4.122 128 HG21 THR 21 3HG2 THR 21 -12.545 -0.016 2.676 129 HG22 THR 21 1HG2 THR 21 -11.364 0.195 1.383 130 HG23 THR 21 2HG2 THR 21 -10.951 0.646 3.037 131 H LYS 22 H LYS 22 -9.175 -2.676 -0.709 132 HA LYS 22 HA LYS 22 -6.741 -1.597 -0.421 133 HB2 LYS 22 1HB LYS 22 -6.614 -1.289 -2.821 134 HB3 LYS 22 2HB LYS 22 -7.531 -2.747 -2.464 135 HG2 LYS 22 1HG LYS 22 -9.609 -1.586 -2.896 136 HG3 LYS 22 2HG LYS 22 -8.735 -0.076 -3.163 137 HD2 LYS 22 1HD LYS 22 -7.962 -2.444 -4.786 138 HD3 LYS 22 2HD LYS 22 -9.482 -1.635 -5.172 139 HE2 LYS 22 1HE LYS 22 -7.936 0.515 -5.005 140 HE3 LYS 22 2HE LYS 22 -6.686 -0.659 -5.411 141 HZ1 LYS 22 3HZ LYS 22 -7.830 -1.226 -7.403 142 HZ2 LYS 22 1HZ LYS 22 -7.710 0.461 -7.355 143 HZ3 LYS 22 2HZ LYS 22 -9.177 -0.294 -6.981 144 H ASN 23 H ASN 23 -9.660 0.232 -1.205 145 HA ASN 23 HA ASN 23 -8.779 2.684 -1.874 146 HB2 ASN 23 1HB ASN 23 -11.174 1.926 -1.348 147 HB3 ASN 23 2HB ASN 23 -10.831 2.394 0.315 148 HD21 ASN 23 1HD2 ASN 23 -11.685 3.448 -2.802 149 HD22 ASN 23 2HD2 ASN 23 -11.734 5.143 -2.471 150 H CYS 24 H CYS 24 -8.856 1.420 1.443 151 HA CYS 24 HA CYS 24 -7.608 3.783 2.518 152 HB2 CYS 24 1HB CYS 24 -8.243 1.095 3.749 153 HB3 CYS 24 2HB CYS 24 -7.551 2.446 4.639 154 HG CYS 24 HG CYS 24 -9.763 3.653 5.149 155 H LEU 25 H LEU 25 -6.623 0.508 1.668 156 HA LEU 25 HA LEU 25 -4.166 0.262 2.794 157 HB2 LEU 25 1HB LEU 25 -4.943 -1.516 1.476 158 HB3 LEU 25 2HB LEU 25 -5.136 -0.490 0.057 159 HG LEU 25 HG LEU 25 -2.566 -0.291 0.118 160 HD11 LEU 25 1HD1 LEU 25 -1.447 -1.397 1.675 161 HD12 LEU 25 2HD1 LEU 25 -2.197 -2.912 1.173 162 HD13 LEU 25 3HD1 LEU 25 -2.974 -1.906 2.396 163 HD21 LEU 25 3HD2 LEU 25 -3.871 -2.923 -0.570 164 HD22 LEU 25 1HD2 LEU 25 -2.332 -2.328 -1.196 165 HD23 LEU 25 2HD2 LEU 25 -3.831 -1.491 -1.600 166 H LYS 26 H LYS 26 -5.042 2.330 0.100 167 HA LYS 26 HA LYS 26 -2.643 3.023 -0.991 168 HB2 LYS 26 1HB LYS 26 -3.612 5.127 -1.610 169 HB3 LYS 26 2HB LYS 26 -4.885 3.914 -1.655 170 HG2 LYS 26 1HG LYS 26 -5.996 5.563 -0.568 171 HG3 LYS 26 2HG LYS 26 -5.269 4.760 0.825 172 HD2 LYS 26 1HD LYS 26 -3.771 6.447 1.188 173 HD3 LYS 26 2HD LYS 26 -3.705 6.901 -0.517 174 HE2 LYS 26 1HE LYS 26 -6.074 7.396 1.281 175 HE3 LYS 26 2HE LYS 26 -4.811 8.584 0.960 176 HZ1 LYS 26 3HZ LYS 26 -5.474 7.936 -1.516 177 HZ2 LYS 26 1HZ LYS 26 -6.242 9.177 -0.660 178 HZ3 LYS 26 2HZ LYS 26 -6.962 7.649 -0.763 179 H ARG 27 H ARG 27 -3.982 4.143 2.076 180 HA ARG 27 HA ARG 27 -2.114 6.133 2.660 181 HB2 ARG 27 1HB ARG 27 -3.962 4.436 4.256 182 HB3 ARG 27 2HB ARG 27 -2.686 5.277 5.125 183 HG2 ARG 27 1HG ARG 27 -4.311 6.852 5.248 184 HG3 ARG 27 2HG ARG 27 -3.578 7.329 3.715 185 HD2 ARG 27 1HD ARG 27 -5.271 6.036 2.508 186 HD3 ARG 27 2HD ARG 27 -6.000 5.560 4.041 187 HE ARG 27 HE ARG 27 -5.804 8.412 3.594 188 HH11 ARG 27 1HH1 ARG 27 -7.751 5.541 3.304 189 HH12 ARG 27 2HH1 ARG 27 -9.249 6.407 3.222 190 HH21 ARG 27 1HH2 ARG 27 -7.770 9.564 3.487 191 HH22 ARG 27 2HH2 ARG 27 -9.259 8.696 3.325 192 H HIS 28 H HIS 28 -2.111 2.707 3.641 193 HA HIS 28 HA HIS 28 0.142 2.517 5.117 194 HB2 HIS 28 1HB HIS 28 -0.882 0.473 4.845 195 HB3 HIS 28 2HB HIS 28 -1.095 0.690 3.111 196 HD1 HIS 28 HD1 HIS 28 0.782 -1.251 5.407 197 HD2 HIS 28 HD2 HIS 28 1.633 0.575 1.773 198 HE1 HIS 28 HE1 HIS 28 2.834 -2.414 4.534 199 H VAL 29 H VAL 29 0.052 2.572 1.566 200 HA VAL 29 HA VAL 29 2.771 2.264 1.073 201 HB VAL 29 HB VAL 29 0.781 3.902 -0.504 202 HG11 VAL 29 1HG1 VAL 29 3.621 3.327 -0.891 203 HG12 VAL 29 2HG1 VAL 29 2.614 2.928 -2.284 204 HG13 VAL 29 3HG1 VAL 29 2.603 4.565 -1.626 205 HG21 VAL 29 3HG2 VAL 29 1.479 1.389 -1.683 206 HG22 VAL 29 1HG2 VAL 29 0.917 1.130 -0.032 207 HG23 VAL 29 2HG2 VAL 29 -0.106 1.983 -1.188 208 H ILE 30 H ILE 30 0.929 5.142 1.914 209 HA ILE 30 HA ILE 30 3.177 6.910 1.541 210 HB ILE 30 HB ILE 30 0.548 7.473 2.914 211 HG12 ILE 30 1HG1 ILE 30 1.225 8.306 0.113 212 HG13 ILE 30 2HG1 ILE 30 0.584 6.696 0.418 213 HG21 ILE 30 1HG2 ILE 30 2.564 8.994 3.309 214 HG22 ILE 30 2HG2 ILE 30 2.380 9.465 1.620 215 HG23 ILE 30 3HG2 ILE 30 1.067 9.750 2.763 216 HD11 ILE 30 3HD1 ILE 30 -1.058 8.525 1.801 217 HD12 ILE 30 1HD1 ILE 30 -0.808 9.158 0.175 218 HD13 ILE 30 2HD1 ILE 30 -1.457 7.533 0.399 219 H GLN 31 H GLN 31 1.598 5.261 4.205 220 HA GLN 31 HA GLN 31 3.128 6.640 6.222 221 HB2 GLN 31 1HB GLN 31 1.055 4.502 6.195 222 HB3 GLN 31 2HB GLN 31 2.110 4.603 7.599 223 HG2 GLN 31 1HG GLN 31 0.242 5.875 8.164 224 HG3 GLN 31 2HG GLN 31 1.466 7.059 7.708 225 HE21 GLN 31 1HE2 GLN 31 1.380 7.789 5.418 226 HE22 GLN 31 2HE2 GLN 31 -0.179 8.028 4.713 227 H LYS 32 H LYS 32 2.852 3.155 5.523 228 HA LYS 32 HA LYS 32 5.156 2.354 6.823 229 HB2 LYS 32 1HB LYS 32 3.644 1.204 4.496 230 HB3 LYS 32 2HB LYS 32 5.107 0.428 5.088 231 HG2 LYS 32 1HG LYS 32 2.661 1.001 6.748 232 HG3 LYS 32 2HG LYS 32 3.061 -0.557 6.021 233 HD2 LYS 32 1HD LYS 32 5.285 -0.342 7.302 234 HD3 LYS 32 2HD LYS 32 4.456 0.902 8.241 235 HE2 LYS 32 1HE LYS 32 3.441 -1.912 7.865 236 HE3 LYS 32 2HE LYS 32 4.376 -1.371 9.259 237 HZ1 LYS 32 3HZ LYS 32 1.605 -0.796 8.544 238 HZ2 LYS 32 1HZ LYS 32 2.477 0.443 9.297 239 HZ3 LYS 32 2HZ LYS 32 2.299 -1.054 10.065 240 H HIS 33 H HIS 33 4.763 3.584 3.549 241 HA HIS 33 HA HIS 33 7.698 3.655 3.300 242 HB2 HIS 33 1HB HIS 33 5.825 3.471 0.947 243 HB3 HIS 33 2HB HIS 33 7.562 3.184 0.984 244 HD1 HIS 33 HD1 HIS 33 8.170 1.030 2.702 245 HD2 HIS 33 HD2 HIS 33 4.433 1.166 0.891 246 HE1 HIS 33 HE1 HIS 33 7.295 -1.326 2.789 247 H SER 34 H SER 34 8.622 5.541 2.651 248 HA SER 34 HA SER 34 6.795 7.804 2.172 249 HB2 SER 34 1HB SER 34 8.432 9.253 3.258 250 HB3 SER 34 2HB SER 34 7.983 7.937 4.343 251 HG SER 34 HG SER 34 10.024 7.053 2.977 252 H ASN 35 H ASN 35 7.576 6.284 0.028 253 HA ASN 35 HA ASN 35 9.102 8.228 -1.495 254 HB2 ASN 35 1HB ASN 35 10.747 6.710 -2.315 255 HB3 ASN 35 2HB ASN 35 10.752 6.549 -0.561 256 HD21 ASN 35 1HD2 ASN 35 9.448 4.765 0.328 257 HD22 ASN 35 2HD2 ASN 35 9.386 3.283 -0.559 258 H ILE 36 H ILE 36 8.979 7.840 -3.825 259 HA ILE 36 HA ILE 36 6.661 6.178 -4.569 260 HB ILE 36 HB ILE 36 7.371 8.890 -5.693 261 HG12 ILE 36 1HG1 ILE 36 4.912 9.245 -4.775 262 HG13 ILE 36 2HG1 ILE 36 5.365 7.928 -3.698 263 HG21 ILE 36 1HG2 ILE 36 5.030 8.507 -6.765 264 HG22 ILE 36 2HG2 ILE 36 6.461 7.793 -7.505 265 HG23 ILE 36 3HG2 ILE 36 5.398 6.802 -6.506 266 HD11 ILE 36 3HD1 ILE 36 5.909 10.654 -3.404 267 HD12 ILE 36 1HD1 ILE 36 6.489 9.322 -2.405 268 HD13 ILE 36 2HD1 ILE 36 7.452 9.885 -3.772 269 H LEU 37 H LEU 37 8.019 4.489 -5.247 270 HA LEU 37 HA LEU 37 9.517 5.061 -7.719 271 HB2 LEU 37 1HB LEU 37 11.173 4.501 -6.179 272 HB3 LEU 37 2HB LEU 37 10.174 3.268 -5.414 273 HG LEU 37 HG LEU 37 10.442 1.881 -7.476 274 HD11 LEU 37 1HD1 LEU 37 12.323 2.472 -8.974 275 HD12 LEU 37 2HD1 LEU 37 12.414 4.047 -8.187 276 HD13 LEU 37 3HD1 LEU 37 10.964 3.591 -9.083 277 HD21 LEU 37 3HD2 LEU 37 11.783 1.361 -5.574 278 HD22 LEU 37 1HD2 LEU 37 12.891 2.689 -5.919 279 HD23 LEU 37 2HD2 LEU 37 12.827 1.293 -6.995 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -7.155 -22.798 7.524 2 HA2 GLY 1 1HA GLY 1 -4.947 -23.152 5.990 3 HA3 GLY 1 2HA GLY 1 -6.175 -24.062 5.122 4 H SER 2 H SER 2 -7.870 -22.972 4.110 5 HA SER 2 HA SER 2 -8.637 -21.292 2.757 6 HB2 SER 2 1HB SER 2 -8.445 -19.955 5.458 7 HB3 SER 2 2HB SER 2 -9.200 -19.181 4.065 8 HG SER 2 HG SER 2 -10.360 -21.414 4.055 9 H SER 3 H SER 3 -5.909 -21.632 2.437 10 HA SER 3 HA SER 3 -4.855 -18.892 2.275 11 HB2 SER 3 1HB SER 3 -2.637 -20.001 1.958 12 HB3 SER 3 2HB SER 3 -3.395 -20.382 3.504 13 HG SER 3 HG SER 3 -3.277 -22.007 1.185 14 H GLY 4 H GLY 4 -6.786 -19.595 0.417 15 HA2 GLY 4 1HA GLY 4 -5.210 -19.426 -2.041 16 HA3 GLY 4 2HA GLY 4 -6.383 -20.729 -1.928 17 H SER 5 H SER 5 -8.609 -19.801 -1.021 18 HA SER 5 HA SER 5 -9.657 -18.200 -3.082 19 HB2 SER 5 1HB SER 5 -10.785 -18.977 -0.387 20 HB3 SER 5 2HB SER 5 -11.707 -18.097 -1.606 21 HG SER 5 HG SER 5 -11.516 -19.846 -2.980 22 H SER 6 H SER 6 -9.480 -16.090 -3.383 23 HA SER 6 HA SER 6 -9.445 -14.311 -1.050 24 HB2 SER 6 1HB SER 6 -7.643 -12.977 -2.003 25 HB3 SER 6 2HB SER 6 -7.106 -14.646 -1.813 26 HG SER 6 HG SER 6 -7.739 -14.889 -4.090 27 H GLY 7 H GLY 7 -10.126 -12.138 -1.491 28 HA2 GLY 7 1HA GLY 7 -12.079 -12.048 -3.660 29 HA3 GLY 7 2HA GLY 7 -11.977 -10.933 -2.305 30 H HIS 8 H HIS 8 -11.951 -9.030 -3.407 31 HA HIS 8 HA HIS 8 -10.068 -8.658 -5.596 32 HB2 HIS 8 1HB HIS 8 -12.213 -6.895 -4.410 33 HB3 HIS 8 2HB HIS 8 -11.116 -6.349 -5.676 34 HD1 HIS 8 HD1 HIS 8 -12.216 -6.445 -7.874 35 HD2 HIS 8 HD2 HIS 8 -13.451 -9.553 -5.409 36 HE1 HIS 8 HE1 HIS 8 -13.848 -7.782 -9.243 37 H LEU 9 H LEU 9 -8.766 -9.167 -3.225 38 HA LEU 9 HA LEU 9 -8.012 -6.732 -1.909 39 HB2 LEU 9 1HB LEU 9 -7.133 -9.581 -1.788 40 HB3 LEU 9 2HB LEU 9 -6.120 -8.333 -1.067 41 HG LEU 9 HG LEU 9 -9.013 -8.635 -0.321 42 HD11 LEU 9 1HD1 LEU 9 -7.785 -10.793 -0.002 43 HD12 LEU 9 2HD1 LEU 9 -8.422 -10.076 1.477 44 HD13 LEU 9 3HD1 LEU 9 -6.704 -9.942 1.101 45 HD21 LEU 9 3HD2 LEU 9 -7.960 -7.691 1.844 46 HD22 LEU 9 1HD2 LEU 9 -8.218 -6.608 0.476 47 HD23 LEU 9 2HD2 LEU 9 -6.608 -7.250 0.800 48 H TYR 10 H TYR 10 -5.642 -6.141 -1.744 49 HA TYR 10 HA TYR 10 -4.303 -6.427 -4.350 50 HB2 TYR 10 1HB TYR 10 -4.973 -3.945 -2.829 51 HB3 TYR 10 2HB TYR 10 -3.475 -3.987 -3.752 52 HD1 TYR 10 HD2 TYR 10 -3.535 -4.222 -6.204 53 HD2 TYR 10 HD1 TYR 10 -7.106 -3.839 -3.923 54 HE1 TYR 10 HE2 TYR 10 -4.778 -3.669 -8.253 55 HE2 TYR 10 HE1 TYR 10 -8.359 -3.286 -5.966 56 HH TYR 10 HH TYR 10 -7.738 -3.934 -8.736 57 H TYR 11 H TYR 11 -1.954 -5.685 -4.197 58 HA TYR 11 HA TYR 11 -0.796 -6.321 -1.575 59 HB2 TYR 11 1HB TYR 11 0.456 -7.392 -4.084 60 HB3 TYR 11 2HB TYR 11 0.677 -7.927 -2.422 61 HD1 TYR 11 HD2 TYR 11 -1.607 -8.793 -1.296 62 HD2 TYR 11 HD1 TYR 11 -0.773 -8.761 -5.468 63 HE1 TYR 11 HE2 TYR 11 -3.281 -10.562 -1.638 64 HE2 TYR 11 HE1 TYR 11 -2.446 -10.529 -5.822 65 HH TYR 11 HH TYR 11 -4.538 -11.625 -3.226 66 H CYS 12 H CYS 12 0.754 -4.954 -0.968 67 HA CYS 12 HA CYS 12 1.405 -2.686 -2.516 68 HB2 CYS 12 1HB CYS 12 1.486 -2.440 -0.160 69 HB3 CYS 12 2HB CYS 12 2.549 -3.831 0.026 70 H SER 13 H SER 13 3.538 -2.018 -3.230 71 HA SER 13 HA SER 13 4.898 -4.188 -4.597 72 HB2 SER 13 1HB SER 13 4.257 -1.792 -5.514 73 HB3 SER 13 2HB SER 13 5.803 -1.344 -4.795 74 HG SER 13 HG SER 13 6.106 -3.613 -6.171 75 H GLN 14 H GLN 14 6.079 -1.345 -2.792 76 HA GLN 14 HA GLN 14 8.658 -2.088 -2.367 77 HB2 GLN 14 1HB GLN 14 6.726 -0.565 -0.655 78 HB3 GLN 14 2HB GLN 14 8.350 -0.894 -0.064 79 HG2 GLN 14 1HG GLN 14 9.276 0.218 -2.051 80 HG3 GLN 14 2HG GLN 14 7.637 0.592 -2.583 81 HE21 GLN 14 1HE2 GLN 14 7.226 2.651 -2.271 82 HE22 GLN 14 2HE2 GLN 14 7.659 3.581 -0.881 83 H CYS 15 H CYS 15 5.817 -3.322 -0.733 84 HA CYS 15 HA CYS 15 7.375 -5.538 0.301 85 HB2 CYS 15 1HB CYS 15 6.818 -5.258 2.590 86 HB3 CYS 15 2HB CYS 15 7.419 -3.694 2.051 87 H HIS 16 H HIS 16 5.878 -7.132 1.454 88 HA HIS 16 HA HIS 16 3.540 -7.489 -0.231 89 HB2 HIS 16 1HB HIS 16 5.275 -9.305 0.429 90 HB3 HIS 16 2HB HIS 16 4.384 -9.380 1.947 91 HD1 HIS 16 HD1 HIS 16 2.109 -10.528 1.923 92 HD2 HIS 16 HD2 HIS 16 3.850 -10.238 -1.838 93 HE1 HIS 16 HE1 HIS 16 0.721 -11.995 0.425 94 H TYR 17 H TYR 17 2.522 -5.564 0.835 95 HA TYR 17 HA TYR 17 1.288 -6.264 3.412 96 HB2 TYR 17 1HB TYR 17 2.520 -4.151 3.426 97 HB3 TYR 17 2HB TYR 17 1.567 -3.569 2.065 98 HD1 TYR 17 HD2 TYR 17 -0.828 -3.022 2.377 99 HD2 TYR 17 HD1 TYR 17 1.664 -4.087 5.657 100 HE1 TYR 17 HE2 TYR 17 -2.487 -2.088 3.934 101 HE2 TYR 17 HE1 TYR 17 0.011 -3.157 7.223 102 HH TYR 17 HH TYR 17 -2.942 -2.703 6.724 103 H SER 18 H SER 18 -0.653 -7.149 3.208 104 HA SER 18 HA SER 18 -2.465 -6.090 1.138 105 HB2 SER 18 1HB SER 18 -3.448 -8.301 0.919 106 HB3 SER 18 2HB SER 18 -1.705 -8.418 0.675 107 HG SER 18 HG SER 18 -2.715 -8.784 3.256 108 H SER 19 H SER 19 -4.359 -5.312 1.816 109 HA SER 19 HA SER 19 -5.442 -6.160 4.395 110 HB2 SER 19 1HB SER 19 -4.605 -3.365 3.685 111 HB3 SER 19 2HB SER 19 -5.945 -3.630 4.800 112 HG SER 19 HG SER 19 -4.467 -3.906 6.255 113 H ILE 20 H ILE 20 -7.687 -5.693 4.666 114 HA ILE 20 HA ILE 20 -9.166 -5.891 2.229 115 HB ILE 20 HB ILE 20 -10.314 -5.399 4.972 116 HG12 ILE 20 1HG1 ILE 20 -8.657 -7.321 4.876 117 HG13 ILE 20 2HG1 ILE 20 -10.286 -7.740 5.395 118 HG21 ILE 20 1HG2 ILE 20 -12.133 -5.289 3.629 119 HG22 ILE 20 2HG2 ILE 20 -11.374 -6.222 2.340 120 HG23 ILE 20 3HG2 ILE 20 -12.035 -7.045 3.752 121 HD11 ILE 20 3HD1 ILE 20 -9.973 -7.992 2.533 122 HD12 ILE 20 1HD1 ILE 20 -8.810 -8.977 3.419 123 HD13 ILE 20 2HD1 ILE 20 -10.538 -9.168 3.720 124 H THR 21 H THR 21 -10.631 -4.440 1.342 125 HA THR 21 HA THR 21 -11.566 -2.428 0.808 126 HB THR 21 HB THR 21 -10.637 -1.123 3.326 127 HG1 THR 21 HG1 THR 21 -11.697 -2.474 4.560 128 HG21 THR 21 3HG2 THR 21 -13.434 -1.106 2.309 129 HG22 THR 21 1HG2 THR 21 -12.209 -0.228 1.395 130 HG23 THR 21 2HG2 THR 21 -12.508 0.178 3.085 131 H LYS 22 H LYS 22 -9.266 -2.854 -0.376 132 HA LYS 22 HA LYS 22 -6.999 -1.476 -0.038 133 HB2 LYS 22 1HB LYS 22 -6.729 -1.353 -2.416 134 HB3 LYS 22 2HB LYS 22 -7.610 -2.831 -2.053 135 HG2 LYS 22 1HG LYS 22 -8.860 -2.078 -3.788 136 HG3 LYS 22 2HG LYS 22 -9.696 -1.257 -2.468 137 HD2 LYS 22 1HD LYS 22 -8.559 0.787 -2.912 138 HD3 LYS 22 2HD LYS 22 -7.450 -0.003 -4.036 139 HE2 LYS 22 1HE LYS 22 -8.982 1.073 -5.427 140 HE3 LYS 22 2HE LYS 22 -9.553 -0.594 -5.383 141 HZ1 LYS 22 3HZ LYS 22 -11.495 0.449 -4.954 142 HZ2 LYS 22 1HZ LYS 22 -10.763 1.814 -4.274 143 HZ3 LYS 22 2HZ LYS 22 -10.926 0.399 -3.362 144 H ASN 23 H ASN 23 -10.111 -0.062 -0.729 145 HA ASN 23 HA ASN 23 -9.645 2.408 -1.679 146 HB2 ASN 23 1HB ASN 23 -11.843 1.456 -0.817 147 HB3 ASN 23 2HB ASN 23 -11.355 2.021 0.778 148 HD21 ASN 23 1HD2 ASN 23 -12.717 3.646 1.151 149 HD22 ASN 23 2HD2 ASN 23 -12.914 5.030 0.136 150 H CYS 24 H CYS 24 -8.573 1.194 1.385 151 HA CYS 24 HA CYS 24 -7.540 3.858 2.093 152 HB2 CYS 24 1HB CYS 24 -8.973 3.027 3.828 153 HB3 CYS 24 2HB CYS 24 -8.174 1.460 3.816 154 HG CYS 24 HG CYS 24 -7.330 2.555 6.144 155 H LEU 25 H LEU 25 -6.692 0.649 1.213 156 HA LEU 25 HA LEU 25 -4.274 0.118 2.286 157 HB2 LEU 25 1HB LEU 25 -5.023 -1.430 0.738 158 HB3 LEU 25 2HB LEU 25 -5.305 -0.206 -0.499 159 HG LEU 25 HG LEU 25 -2.735 0.015 -0.554 160 HD11 LEU 25 1HD1 LEU 25 -1.961 -2.529 -0.048 161 HD12 LEU 25 2HD1 LEU 25 -3.123 -2.267 1.252 162 HD13 LEU 25 3HD1 LEU 25 -1.746 -1.181 1.068 163 HD21 LEU 25 3HD2 LEU 25 -4.117 -0.929 -2.352 164 HD22 LEU 25 1HD2 LEU 25 -4.050 -2.505 -1.563 165 HD23 LEU 25 2HD2 LEU 25 -2.575 -1.769 -2.191 166 H LYS 26 H LYS 26 -4.799 2.298 -0.477 167 HA LYS 26 HA LYS 26 -2.334 3.060 -1.198 168 HB2 LYS 26 1HB LYS 26 -3.207 5.357 -1.564 169 HB3 LYS 26 2HB LYS 26 -4.286 4.103 -2.161 170 HG2 LYS 26 1HG LYS 26 -5.683 4.348 -0.178 171 HG3 LYS 26 2HG LYS 26 -4.595 5.594 0.438 172 HD2 LYS 26 1HD LYS 26 -5.064 6.857 -1.716 173 HD3 LYS 26 2HD LYS 26 -6.371 5.702 -1.990 174 HE2 LYS 26 1HE LYS 26 -7.400 6.350 0.122 175 HE3 LYS 26 2HE LYS 26 -6.076 7.471 0.437 176 HZ1 LYS 26 3HZ LYS 26 -8.142 7.651 -1.678 177 HZ2 LYS 26 1HZ LYS 26 -6.735 8.591 -1.697 178 HZ3 LYS 26 2HZ LYS 26 -7.837 8.745 -0.424 179 H ARG 27 H ARG 27 -3.959 4.105 1.765 180 HA ARG 27 HA ARG 27 -2.171 5.997 2.679 181 HB2 ARG 27 1HB ARG 27 -3.739 3.952 4.259 182 HB3 ARG 27 2HB ARG 27 -2.913 5.330 4.973 183 HG2 ARG 27 1HG ARG 27 -4.850 5.849 2.784 184 HG3 ARG 27 2HG ARG 27 -5.479 5.399 4.371 185 HD2 ARG 27 1HD ARG 27 -5.385 7.679 4.586 186 HD3 ARG 27 2HD ARG 27 -3.797 7.229 5.207 187 HE ARG 27 HE ARG 27 -3.897 7.822 2.377 188 HH11 ARG 27 1HH1 ARG 27 -3.340 9.033 5.593 189 HH12 ARG 27 2HH1 ARG 27 -2.399 10.387 5.061 190 HH21 ARG 27 1HH2 ARG 27 -2.659 9.601 1.664 191 HH22 ARG 27 2HH2 ARG 27 -2.013 10.710 2.826 192 H HIS 28 H HIS 28 -2.135 2.518 3.473 193 HA HIS 28 HA HIS 28 0.033 2.255 5.023 194 HB2 HIS 28 1HB HIS 28 -0.894 0.213 4.506 195 HB3 HIS 28 2HB HIS 28 -1.005 0.578 2.786 196 HD1 HIS 28 HD1 HIS 28 1.389 -0.684 5.383 197 HD2 HIS 28 HD2 HIS 28 1.204 -0.156 1.266 198 HE1 HIS 28 HE1 HIS 28 3.381 -1.909 4.458 199 H VAL 29 H VAL 29 0.330 2.151 1.466 200 HA VAL 29 HA VAL 29 3.031 2.129 1.182 201 HB VAL 29 HB VAL 29 1.075 3.745 -0.457 202 HG11 VAL 29 1HG1 VAL 29 2.722 3.854 -2.179 203 HG12 VAL 29 2HG1 VAL 29 3.466 4.454 -0.696 204 HG13 VAL 29 3HG1 VAL 29 3.826 2.824 -1.268 205 HG21 VAL 29 3HG2 VAL 29 0.349 1.629 -0.836 206 HG22 VAL 29 1HG2 VAL 29 1.685 1.641 -1.987 207 HG23 VAL 29 2HG2 VAL 29 1.895 0.901 -0.401 208 H ILE 30 H ILE 30 1.027 4.986 1.799 209 HA ILE 30 HA ILE 30 3.208 6.823 1.738 210 HB ILE 30 HB ILE 30 0.485 7.165 2.998 211 HG12 ILE 30 1HG1 ILE 30 1.302 8.283 0.339 212 HG13 ILE 30 2HG1 ILE 30 0.738 6.620 0.450 213 HG21 ILE 30 1HG2 ILE 30 1.942 9.493 1.957 214 HG22 ILE 30 2HG2 ILE 30 0.986 9.314 3.427 215 HG23 ILE 30 3HG2 ILE 30 2.653 8.740 3.384 216 HD11 ILE 30 3HD1 ILE 30 -0.803 9.043 1.348 217 HD12 ILE 30 1HD1 ILE 30 -1.045 8.173 -0.167 218 HD13 ILE 30 2HD1 ILE 30 -1.369 7.373 1.372 219 H GLN 31 H GLN 31 1.479 5.114 4.302 220 HA GLN 31 HA GLN 31 2.831 6.403 6.448 221 HB2 GLN 31 1HB GLN 31 0.601 5.117 6.497 222 HB3 GLN 31 2HB GLN 31 1.590 3.667 6.605 223 HG2 GLN 31 1HG GLN 31 1.935 5.940 8.524 224 HG3 GLN 31 2HG GLN 31 0.711 4.696 8.771 225 HE21 GLN 31 1HE2 GLN 31 1.300 2.993 9.903 226 HE22 GLN 31 2HE2 GLN 31 2.922 2.461 10.172 227 H LYS 32 H LYS 32 3.034 2.991 5.428 228 HA LYS 32 HA LYS 32 5.407 2.443 6.812 229 HB2 LYS 32 1HB LYS 32 4.021 1.123 4.495 230 HB3 LYS 32 2HB LYS 32 5.569 0.524 5.077 231 HG2 LYS 32 1HG LYS 32 3.158 0.859 6.842 232 HG3 LYS 32 2HG LYS 32 3.549 -0.638 5.993 233 HD2 LYS 32 1HD LYS 32 5.794 -0.569 7.131 234 HD3 LYS 32 2HD LYS 32 5.171 0.758 8.115 235 HE2 LYS 32 1HE LYS 32 3.212 -0.909 8.587 236 HE3 LYS 32 2HE LYS 32 4.388 -2.125 8.090 237 HZ1 LYS 32 3HZ LYS 32 5.444 -1.951 10.020 238 HZ2 LYS 32 1HZ LYS 32 4.139 -1.033 10.584 239 HZ3 LYS 32 2HZ LYS 32 5.500 -0.262 9.942 240 H HIS 33 H HIS 33 4.838 3.621 3.544 241 HA HIS 33 HA HIS 33 7.737 4.074 3.282 242 HB2 HIS 33 1HB HIS 33 6.003 3.661 0.873 243 HB3 HIS 33 2HB HIS 33 7.739 3.423 1.048 244 HD1 HIS 33 HD1 HIS 33 8.171 1.374 3.022 245 HD2 HIS 33 HD2 HIS 33 4.776 1.280 0.629 246 HE1 HIS 33 HE1 HIS 33 7.376 -1.011 3.076 247 H SER 34 H SER 34 7.143 6.154 4.288 248 HA SER 34 HA SER 34 5.523 7.996 2.791 249 HB2 SER 34 1HB SER 34 6.380 9.662 4.480 250 HB3 SER 34 2HB SER 34 5.564 8.262 5.177 251 HG SER 34 HG SER 34 7.335 8.089 6.298 252 H ASN 35 H ASN 35 6.588 7.937 0.745 253 HA ASN 35 HA ASN 35 8.976 9.650 0.670 254 HB2 ASN 35 1HB ASN 35 9.555 7.236 0.266 255 HB3 ASN 35 2HB ASN 35 8.533 7.290 -1.167 256 HD21 ASN 35 1HD2 ASN 35 11.345 8.776 0.351 257 HD22 ASN 35 2HD2 ASN 35 12.141 9.199 -1.123 258 H ILE 36 H ILE 36 7.430 11.350 0.269 259 HA ILE 36 HA ILE 36 6.686 11.477 -2.565 260 HB ILE 36 HB ILE 36 4.545 12.522 -2.043 261 HG12 ILE 36 1HG1 ILE 36 3.836 12.050 0.487 262 HG13 ILE 36 2HG1 ILE 36 5.565 12.256 0.743 263 HG21 ILE 36 1HG2 ILE 36 5.228 9.774 -1.378 264 HG22 ILE 36 2HG2 ILE 36 3.753 10.326 -0.586 265 HG23 ILE 36 3HG2 ILE 36 3.894 10.409 -2.342 266 HD11 ILE 36 3HD1 ILE 36 3.504 14.228 0.137 267 HD12 ILE 36 1HD1 ILE 36 5.065 14.419 0.935 268 HD13 ILE 36 2HD1 ILE 36 4.971 14.400 -0.826 269 H LEU 37 H LEU 37 6.017 13.790 -3.146 270 HA LEU 37 HA LEU 37 7.822 15.660 -1.759 271 HB2 LEU 37 1HB LEU 37 6.986 15.576 -4.653 272 HB3 LEU 37 2HB LEU 37 7.946 16.863 -3.926 273 HG LEU 37 HG LEU 37 9.588 14.939 -3.321 274 HD11 LEU 37 1HD1 LEU 37 8.046 13.705 -5.598 275 HD12 LEU 37 2HD1 LEU 37 8.128 13.100 -3.944 276 HD13 LEU 37 3HD1 LEU 37 9.576 13.113 -4.952 277 HD21 LEU 37 3HD2 LEU 37 10.670 16.247 -4.769 278 HD22 LEU 37 1HD2 LEU 37 9.212 16.551 -5.714 279 HD23 LEU 37 2HD2 LEU 37 10.166 15.097 -6.008 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -13.448 -20.794 -3.444 2 HA2 GLY 1 1HA GLY 1 -13.610 -21.866 -1.253 3 HA3 GLY 1 2HA GLY 1 -14.248 -23.284 -2.072 4 H SER 2 H SER 2 -12.815 -24.868 -1.837 5 HA SER 2 HA SER 2 -10.082 -24.565 -1.376 6 HB2 SER 2 1HB SER 2 -11.503 -26.636 -0.976 7 HB3 SER 2 2HB SER 2 -11.328 -26.980 -2.696 8 HG SER 2 HG SER 2 -9.371 -27.653 -2.339 9 H SER 3 H SER 3 -11.827 -25.190 -4.397 10 HA SER 3 HA SER 3 -9.345 -24.574 -5.864 11 HB2 SER 3 1HB SER 3 -10.070 -26.883 -6.236 12 HB3 SER 3 2HB SER 3 -11.666 -26.317 -6.730 13 HG SER 3 HG SER 3 -9.676 -26.728 -8.301 14 H GLY 4 H GLY 4 -9.591 -22.401 -6.167 15 HA2 GLY 4 1HA GLY 4 -10.898 -21.359 -8.296 16 HA3 GLY 4 2HA GLY 4 -12.112 -21.282 -7.028 17 H SER 5 H SER 5 -11.367 -18.963 -8.161 18 HA SER 5 HA SER 5 -9.162 -17.654 -7.007 19 HB2 SER 5 1HB SER 5 -11.744 -16.595 -8.165 20 HB3 SER 5 2HB SER 5 -10.431 -15.548 -7.627 21 HG SER 5 HG SER 5 -9.953 -17.641 -9.451 22 H SER 6 H SER 6 -8.841 -16.725 -5.082 23 HA SER 6 HA SER 6 -11.116 -16.064 -3.380 24 HB2 SER 6 1HB SER 6 -10.220 -17.283 -1.462 25 HB3 SER 6 2HB SER 6 -10.516 -18.395 -2.798 26 HG SER 6 HG SER 6 -8.006 -17.259 -2.111 27 H GLY 7 H GLY 7 -10.152 -15.138 -1.195 28 HA2 GLY 7 1HA GLY 7 -8.701 -13.664 -0.133 29 HA3 GLY 7 2HA GLY 7 -7.630 -13.759 -1.523 30 H HIS 8 H HIS 8 -9.043 -12.885 -3.596 31 HA HIS 8 HA HIS 8 -9.445 -10.874 -4.629 32 HB2 HIS 8 1HB HIS 8 -11.577 -9.775 -3.589 33 HB3 HIS 8 2HB HIS 8 -11.696 -11.361 -4.346 34 HD1 HIS 8 HD1 HIS 8 -11.687 -9.702 -0.974 35 HD2 HIS 8 HD2 HIS 8 -12.396 -13.437 -2.650 36 HE1 HIS 8 HE1 HIS 8 -12.699 -11.085 0.867 37 H LEU 9 H LEU 9 -7.351 -10.601 -2.824 38 HA LEU 9 HA LEU 9 -7.835 -7.915 -1.711 39 HB2 LEU 9 1HB LEU 9 -6.210 -10.214 -0.717 40 HB3 LEU 9 2HB LEU 9 -5.729 -8.568 -0.309 41 HG LEU 9 HG LEU 9 -8.447 -9.712 0.311 42 HD11 LEU 9 1HD1 LEU 9 -7.144 -11.035 1.660 43 HD12 LEU 9 2HD1 LEU 9 -7.390 -9.633 2.701 44 HD13 LEU 9 3HD1 LEU 9 -5.876 -9.818 1.817 45 HD21 LEU 9 3HD2 LEU 9 -7.995 -7.178 0.141 46 HD22 LEU 9 1HD2 LEU 9 -7.098 -7.394 1.644 47 HD23 LEU 9 2HD2 LEU 9 -8.814 -7.797 1.576 48 H TYR 10 H TYR 10 -6.030 -6.429 -1.782 49 HA TYR 10 HA TYR 10 -4.440 -6.807 -4.212 50 HB2 TYR 10 1HB TYR 10 -5.097 -4.335 -2.601 51 HB3 TYR 10 2HB TYR 10 -4.020 -4.340 -3.994 52 HD1 TYR 10 HD1 TYR 10 -7.496 -5.276 -3.011 53 HD2 TYR 10 HD2 TYR 10 -4.895 -3.956 -6.109 54 HE1 TYR 10 HE1 TYR 10 -9.431 -4.975 -4.499 55 HE2 TYR 10 HE2 TYR 10 -6.823 -3.650 -7.605 56 HH TYR 10 HH TYR 10 -9.786 -4.961 -7.076 57 H TYR 11 H TYR 11 -2.203 -5.925 -4.195 58 HA TYR 11 HA TYR 11 -0.889 -6.410 -1.602 59 HB2 TYR 11 1HB TYR 11 0.371 -7.020 -4.271 60 HB3 TYR 11 2HB TYR 11 0.892 -7.548 -2.675 61 HD1 TYR 11 HD2 TYR 11 -1.154 -8.854 -1.386 62 HD2 TYR 11 HD1 TYR 11 -0.517 -8.680 -5.589 63 HE1 TYR 11 HE2 TYR 11 -2.422 -10.944 -1.659 64 HE2 TYR 11 HE1 TYR 11 -1.785 -10.768 -5.874 65 HH TYR 11 HH TYR 11 -2.479 -12.686 -4.622 66 H CYS 12 H CYS 12 0.287 -4.778 -0.859 67 HA CYS 12 HA CYS 12 0.422 -2.267 -1.876 68 HB2 CYS 12 1HB CYS 12 1.152 -2.696 0.370 69 HB3 CYS 12 2HB CYS 12 2.476 -3.709 -0.195 70 H SER 13 H SER 13 2.087 -1.017 -2.911 71 HA SER 13 HA SER 13 3.127 -2.306 -5.232 72 HB2 SER 13 1HB SER 13 4.006 -0.100 -5.820 73 HB3 SER 13 2HB SER 13 2.344 0.039 -5.249 74 HG SER 13 HG SER 13 3.852 1.601 -4.356 75 H GLN 14 H GLN 14 4.665 -0.769 -2.414 76 HA GLN 14 HA GLN 14 7.302 -1.526 -3.185 77 HB2 GLN 14 1HB GLN 14 6.250 -0.659 -0.487 78 HB3 GLN 14 2HB GLN 14 7.947 -0.765 -0.935 79 HG2 GLN 14 1HG GLN 14 7.146 0.858 -2.871 80 HG3 GLN 14 2HG GLN 14 5.907 1.247 -1.679 81 HE21 GLN 14 1HE2 GLN 14 7.187 3.343 -2.098 82 HE22 GLN 14 2HE2 GLN 14 8.460 3.668 -0.976 83 H CYS 15 H CYS 15 5.131 -2.682 -0.603 84 HA CYS 15 HA CYS 15 6.737 -5.143 -0.464 85 HB2 CYS 15 1HB CYS 15 5.891 -5.453 1.771 86 HB3 CYS 15 2HB CYS 15 6.500 -3.807 1.634 87 H HIS 16 H HIS 16 5.122 -6.954 0.574 88 HA HIS 16 HA HIS 16 2.949 -7.191 -1.398 89 HB2 HIS 16 1HB HIS 16 3.320 -9.478 -1.521 90 HB3 HIS 16 2HB HIS 16 4.956 -8.864 -1.298 91 HD1 HIS 16 HD1 HIS 16 5.478 -8.695 1.525 92 HD2 HIS 16 HD2 HIS 16 2.925 -11.623 0.052 93 HE1 HIS 16 HE1 HIS 16 5.418 -10.485 3.291 94 H TYR 17 H TYR 17 2.582 -5.756 1.016 95 HA TYR 17 HA TYR 17 1.192 -7.493 2.866 96 HB2 TYR 17 1HB TYR 17 2.272 -5.736 3.967 97 HB3 TYR 17 2HB TYR 17 1.779 -4.550 2.764 98 HD1 TYR 17 HD1 TYR 17 0.537 -6.646 5.558 99 HD2 TYR 17 HD2 TYR 17 -0.203 -3.300 3.037 100 HE1 TYR 17 HE1 TYR 17 -1.357 -5.998 6.986 101 HE2 TYR 17 HE2 TYR 17 -2.099 -2.641 4.459 102 HH TYR 17 HH TYR 17 -2.576 -3.457 7.383 103 H SER 18 H SER 18 -0.822 -8.138 2.557 104 HA SER 18 HA SER 18 -2.572 -6.569 0.802 105 HB2 SER 18 1HB SER 18 -3.854 -8.564 0.475 106 HB3 SER 18 2HB SER 18 -2.157 -9.023 0.339 107 HG SER 18 HG SER 18 -2.416 -10.295 1.981 108 H SER 19 H SER 19 -4.389 -5.616 1.517 109 HA SER 19 HA SER 19 -5.419 -6.286 4.171 110 HB2 SER 19 1HB SER 19 -3.970 -4.461 4.699 111 HB3 SER 19 2HB SER 19 -4.521 -3.534 3.303 112 HG SER 19 HG SER 19 -5.866 -2.695 4.684 113 H ILE 20 H ILE 20 -7.601 -5.797 4.482 114 HA ILE 20 HA ILE 20 -9.235 -5.923 2.198 115 HB ILE 20 HB ILE 20 -11.098 -5.836 3.638 116 HG12 ILE 20 1HG1 ILE 20 -10.608 -3.748 4.788 117 HG13 ILE 20 2HG1 ILE 20 -10.963 -5.004 5.968 118 HG21 ILE 20 1HG2 ILE 20 -10.556 -7.412 5.386 119 HG22 ILE 20 2HG2 ILE 20 -9.634 -7.800 3.935 120 HG23 ILE 20 3HG2 ILE 20 -8.848 -6.982 5.286 121 HD11 ILE 20 3HD1 ILE 20 -8.582 -5.283 6.393 122 HD12 ILE 20 1HD1 ILE 20 -8.220 -4.034 5.201 123 HD13 ILE 20 2HD1 ILE 20 -9.098 -3.620 6.674 124 H THR 21 H THR 21 -10.947 -4.372 1.613 125 HA THR 21 HA THR 21 -11.447 -2.354 0.658 126 HB THR 21 HB THR 21 -11.437 -0.425 2.315 127 HG1 THR 21 HG1 THR 21 -9.774 -1.175 3.682 128 HG21 THR 21 3HG2 THR 21 -13.450 -1.667 2.024 129 HG22 THR 21 1HG2 THR 21 -13.202 -1.498 3.761 130 HG23 THR 21 2HG2 THR 21 -12.824 -3.024 2.960 131 H LYS 22 H LYS 22 -9.097 -2.980 -0.320 132 HA LYS 22 HA LYS 22 -6.793 -1.663 0.156 133 HB2 LYS 22 1HB LYS 22 -6.908 -3.145 -1.704 134 HB3 LYS 22 2HB LYS 22 -8.146 -2.175 -2.489 135 HG2 LYS 22 1HG LYS 22 -5.524 -0.897 -1.949 136 HG3 LYS 22 2HG LYS 22 -5.615 -2.098 -3.239 137 HD2 LYS 22 1HD LYS 22 -7.552 0.193 -3.045 138 HD3 LYS 22 2HD LYS 22 -6.007 0.339 -3.885 139 HE2 LYS 22 1HE LYS 22 -7.316 -0.296 -5.637 140 HE3 LYS 22 2HE LYS 22 -6.851 -1.890 -5.043 141 HZ1 LYS 22 3HZ LYS 22 -9.217 -0.784 -3.807 142 HZ2 LYS 22 1HZ LYS 22 -8.931 -2.343 -4.400 143 HZ3 LYS 22 2HZ LYS 22 -9.379 -1.104 -5.460 144 H ASN 23 H ASN 23 -9.762 -0.241 -0.974 145 HA ASN 23 HA ASN 23 -9.072 2.105 -2.125 146 HB2 ASN 23 1HB ASN 23 -11.396 1.451 -1.654 147 HB3 ASN 23 2HB ASN 23 -11.147 1.789 0.056 148 HD21 ASN 23 1HD2 ASN 23 -12.369 3.499 0.465 149 HD22 ASN 23 2HD2 ASN 23 -12.335 4.989 -0.409 150 H CYS 24 H CYS 24 -8.819 1.330 1.304 151 HA CYS 24 HA CYS 24 -7.772 3.986 1.896 152 HB2 CYS 24 1HB CYS 24 -7.925 3.372 4.211 153 HB3 CYS 24 2HB CYS 24 -9.411 2.857 3.423 154 HG CYS 24 HG CYS 24 -7.103 1.046 5.000 155 H LEU 25 H LEU 25 -6.721 0.650 1.651 156 HA LEU 25 HA LEU 25 -4.356 0.478 2.876 157 HB2 LEU 25 1HB LEU 25 -4.999 -1.331 1.534 158 HB3 LEU 25 2HB LEU 25 -5.087 -0.333 0.083 159 HG LEU 25 HG LEU 25 -2.507 -0.101 0.436 160 HD11 LEU 25 1HD1 LEU 25 -1.770 -1.192 2.237 161 HD12 LEU 25 2HD1 LEU 25 -2.009 -2.661 1.291 162 HD13 LEU 25 3HD1 LEU 25 -3.265 -2.114 2.402 163 HD21 LEU 25 3HD2 LEU 25 -2.465 -2.592 -0.636 164 HD22 LEU 25 1HD2 LEU 25 -2.894 -1.129 -1.523 165 HD23 LEU 25 2HD2 LEU 25 -4.161 -2.156 -0.853 166 H LYS 26 H LYS 26 -4.936 2.359 -0.056 167 HA LYS 26 HA LYS 26 -2.528 3.091 -0.954 168 HB2 LYS 26 1HB LYS 26 -4.840 4.938 -0.347 169 HB3 LYS 26 2HB LYS 26 -3.442 5.412 -1.304 170 HG2 LYS 26 1HG LYS 26 -5.122 3.036 -2.030 171 HG3 LYS 26 2HG LYS 26 -5.533 4.671 -2.552 172 HD2 LYS 26 1HD LYS 26 -2.850 3.397 -3.052 173 HD3 LYS 26 2HD LYS 26 -4.192 3.313 -4.196 174 HE2 LYS 26 1HE LYS 26 -4.255 5.830 -4.129 175 HE3 LYS 26 2HE LYS 26 -2.744 5.768 -3.222 176 HZ1 LYS 26 3HZ LYS 26 -3.142 4.609 -5.927 177 HZ2 LYS 26 1HZ LYS 26 -1.688 4.667 -5.063 178 HZ3 LYS 26 2HZ LYS 26 -2.403 6.098 -5.613 179 H ARG 27 H ARG 27 -4.016 4.455 1.970 180 HA ARG 27 HA ARG 27 -2.099 6.305 2.669 181 HB2 ARG 27 1HB ARG 27 -4.164 6.127 3.903 182 HB3 ARG 27 2HB ARG 27 -3.750 4.508 4.448 183 HG2 ARG 27 1HG ARG 27 -1.674 5.725 5.487 184 HG3 ARG 27 2HG ARG 27 -2.720 7.141 5.369 185 HD2 ARG 27 1HD ARG 27 -3.799 4.630 6.562 186 HD3 ARG 27 2HD ARG 27 -2.718 5.639 7.522 187 HE ARG 27 HE ARG 27 -5.431 6.245 6.736 188 HH11 ARG 27 1HH1 ARG 27 -2.396 7.494 7.897 189 HH12 ARG 27 2HH1 ARG 27 -3.097 8.921 8.585 190 HH21 ARG 27 1HH2 ARG 27 -6.366 8.120 7.638 191 HH22 ARG 27 2HH2 ARG 27 -5.355 9.276 8.438 192 H HIS 28 H HIS 28 -2.227 2.914 3.774 193 HA HIS 28 HA HIS 28 0.006 2.712 5.273 194 HB2 HIS 28 1HB HIS 28 -1.027 0.678 5.115 195 HB3 HIS 28 2HB HIS 28 -1.335 0.847 3.390 196 HD1 HIS 28 HD1 HIS 28 0.670 -1.021 5.672 197 HD2 HIS 28 HD2 HIS 28 1.248 0.541 1.866 198 HE1 HIS 28 HE1 HIS 28 2.616 -2.291 4.712 199 H VAL 29 H VAL 29 -0.058 2.626 1.724 200 HA VAL 29 HA VAL 29 2.622 2.155 1.225 201 HB VAL 29 HB VAL 29 0.735 3.921 -0.339 202 HG11 VAL 29 1HG1 VAL 29 2.644 2.729 -2.023 203 HG12 VAL 29 2HG1 VAL 29 2.465 4.440 -1.632 204 HG13 VAL 29 3HG1 VAL 29 3.536 3.421 -0.669 205 HG21 VAL 29 3HG2 VAL 29 1.463 1.209 -1.258 206 HG22 VAL 29 1HG2 VAL 29 0.404 1.306 0.149 207 HG23 VAL 29 2HG2 VAL 29 -0.071 2.072 -1.367 208 H ILE 30 H ILE 30 0.995 5.199 1.973 209 HA ILE 30 HA ILE 30 3.301 6.830 1.567 210 HB ILE 30 HB ILE 30 0.796 7.420 3.149 211 HG12 ILE 30 1HG1 ILE 30 1.358 8.558 0.447 212 HG13 ILE 30 2HG1 ILE 30 0.798 6.892 0.547 213 HG21 ILE 30 1HG2 ILE 30 2.778 9.376 2.003 214 HG22 ILE 30 2HG2 ILE 30 1.412 9.718 3.064 215 HG23 ILE 30 3HG2 ILE 30 2.803 8.827 3.679 216 HD11 ILE 30 3HD1 ILE 30 -1.246 7.760 0.514 217 HD12 ILE 30 1HD1 ILE 30 -0.948 8.216 2.191 218 HD13 ILE 30 2HD1 ILE 30 -0.660 9.378 0.896 219 H GLN 31 H GLN 31 1.662 5.603 4.479 220 HA GLN 31 HA GLN 31 3.509 6.695 6.315 221 HB2 GLN 31 1HB GLN 31 1.332 4.676 6.420 222 HB3 GLN 31 2HB GLN 31 2.517 4.642 7.718 223 HG2 GLN 31 1HG GLN 31 0.476 5.994 8.186 224 HG3 GLN 31 2HG GLN 31 2.000 6.861 8.368 225 HE21 GLN 31 1HE2 GLN 31 2.283 8.694 7.277 226 HE22 GLN 31 2HE2 GLN 31 1.221 9.303 6.058 227 H LYS 32 H LYS 32 3.035 3.235 5.604 228 HA LYS 32 HA LYS 32 5.380 2.301 6.704 229 HB2 LYS 32 1HB LYS 32 3.548 1.317 4.576 230 HB3 LYS 32 2HB LYS 32 5.113 0.529 4.722 231 HG2 LYS 32 1HG LYS 32 3.510 0.905 7.192 232 HG3 LYS 32 2HG LYS 32 2.991 -0.324 6.036 233 HD2 LYS 32 1HD LYS 32 4.955 -1.553 6.275 234 HD3 LYS 32 2HD LYS 32 5.845 -0.181 6.940 235 HE2 LYS 32 1HE LYS 32 5.405 -1.716 8.720 236 HE3 LYS 32 2HE LYS 32 4.382 -0.300 8.955 237 HZ1 LYS 32 3HZ LYS 32 3.599 -2.971 8.749 238 HZ2 LYS 32 1HZ LYS 32 2.989 -2.165 7.392 239 HZ3 LYS 32 2HZ LYS 32 2.615 -1.608 8.944 240 H HIS 33 H HIS 33 4.840 3.585 3.460 241 HA HIS 33 HA HIS 33 7.761 3.680 3.100 242 HB2 HIS 33 1HB HIS 33 5.838 3.358 0.806 243 HB3 HIS 33 2HB HIS 33 7.580 3.098 0.818 244 HD1 HIS 33 HD1 HIS 33 8.436 0.857 1.813 245 HD2 HIS 33 HD2 HIS 33 4.298 1.204 1.677 246 HE1 HIS 33 HE1 HIS 33 7.553 -1.462 2.219 247 H SER 34 H SER 34 7.861 5.816 3.823 248 HA SER 34 HA SER 34 6.257 7.942 3.193 249 HB2 SER 34 1HB SER 34 8.322 9.365 3.456 250 HB3 SER 34 2HB SER 34 8.047 8.222 4.770 251 HG SER 34 HG SER 34 9.976 7.529 4.349 252 H ASN 35 H ASN 35 9.291 7.227 1.453 253 HA ASN 35 HA ASN 35 9.174 8.965 -0.597 254 HB2 ASN 35 1HB ASN 35 10.339 7.304 -1.998 255 HB3 ASN 35 2HB ASN 35 10.977 7.332 -0.357 256 HD21 ASN 35 1HD2 ASN 35 10.795 5.263 -2.567 257 HD22 ASN 35 2HD2 ASN 35 10.170 3.862 -1.772 258 H ILE 36 H ILE 36 7.826 9.461 -2.196 259 HA ILE 36 HA ILE 36 5.634 7.600 -2.795 260 HB ILE 36 HB ILE 36 5.851 10.559 -3.362 261 HG12 ILE 36 1HG1 ILE 36 3.937 9.217 -1.466 262 HG13 ILE 36 2HG1 ILE 36 5.541 9.717 -0.942 263 HG21 ILE 36 1HG2 ILE 36 3.895 8.482 -4.161 264 HG22 ILE 36 2HG2 ILE 36 3.259 10.053 -3.677 265 HG23 ILE 36 3HG2 ILE 36 4.411 9.941 -5.007 266 HD11 ILE 36 3HD1 ILE 36 3.285 11.437 -1.914 267 HD12 ILE 36 1HD1 ILE 36 4.082 11.454 -0.340 268 HD13 ILE 36 2HD1 ILE 36 4.941 12.026 -1.770 269 H LEU 37 H LEU 37 7.239 6.380 -4.112 270 HA LEU 37 HA LEU 37 7.285 7.458 -6.844 271 HB2 LEU 37 1HB LEU 37 9.508 6.268 -7.112 272 HB3 LEU 37 2HB LEU 37 9.508 7.767 -6.186 273 HG LEU 37 HG LEU 37 9.355 6.209 -4.121 274 HD11 LEU 37 1HD1 LEU 37 9.316 4.280 -6.138 275 HD12 LEU 37 2HD1 LEU 37 9.509 4.014 -4.406 276 HD13 LEU 37 3HD1 LEU 37 10.931 4.190 -5.434 277 HD21 LEU 37 3HD2 LEU 37 12.012 5.862 -5.315 278 HD22 LEU 37 1HD2 LEU 37 11.532 6.658 -3.816 279 HD23 LEU 37 2HD2 LEU 37 11.396 7.514 -5.352 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -12.494 -14.037 -9.972 2 HA2 GLY 1 1HA GLY 1 -9.773 -14.472 -10.326 3 HA3 GLY 1 2HA GLY 1 -9.920 -13.233 -9.089 4 H SER 2 H SER 2 -10.199 -16.576 -9.825 5 HA SER 2 HA SER 2 -11.464 -17.229 -7.290 6 HB2 SER 2 1HB SER 2 -10.510 -18.922 -9.604 7 HB3 SER 2 2HB SER 2 -11.165 -19.607 -8.117 8 HG SER 2 HG SER 2 -12.759 -19.341 -9.757 9 H SER 3 H SER 3 -9.954 -16.606 -5.754 10 HA SER 3 HA SER 3 -7.941 -18.519 -5.141 11 HB2 SER 3 1HB SER 3 -7.127 -15.929 -6.399 12 HB3 SER 3 2HB SER 3 -6.112 -16.616 -5.131 13 HG SER 3 HG SER 3 -6.296 -18.623 -6.481 14 H GLY 4 H GLY 4 -7.523 -18.513 -2.999 15 HA2 GLY 4 1HA GLY 4 -7.482 -17.818 -0.802 16 HA3 GLY 4 2HA GLY 4 -7.636 -16.165 -1.379 17 H SER 5 H SER 5 -9.093 -18.465 0.446 18 HA SER 5 HA SER 5 -11.837 -17.899 -0.267 19 HB2 SER 5 1HB SER 5 -12.426 -19.418 1.526 20 HB3 SER 5 2HB SER 5 -11.112 -20.131 0.591 21 HG SER 5 HG SER 5 -10.760 -20.284 2.853 22 H SER 6 H SER 6 -10.475 -15.559 0.326 23 HA SER 6 HA SER 6 -11.674 -14.778 2.904 24 HB2 SER 6 1HB SER 6 -9.213 -13.624 1.568 25 HB3 SER 6 2HB SER 6 -9.922 -13.047 3.076 26 HG SER 6 HG SER 6 -8.673 -14.479 3.967 27 H GLY 7 H GLY 7 -10.870 -13.696 -0.377 28 HA2 GLY 7 1HA GLY 7 -13.109 -12.652 -1.286 29 HA3 GLY 7 2HA GLY 7 -12.698 -11.428 -0.094 30 H HIS 8 H HIS 8 -12.545 -9.866 -1.760 31 HA HIS 8 HA HIS 8 -10.324 -10.208 -3.644 32 HB2 HIS 8 1HB HIS 8 -12.711 -9.439 -4.324 33 HB3 HIS 8 2HB HIS 8 -12.227 -7.883 -3.657 34 HD1 HIS 8 HD1 HIS 8 -12.614 -9.172 -6.781 35 HD2 HIS 8 HD2 HIS 8 -9.308 -7.492 -4.908 36 HE1 HIS 8 HE1 HIS 8 -11.108 -8.399 -8.641 37 H LEU 9 H LEU 9 -8.439 -9.599 -2.785 38 HA LEU 9 HA LEU 9 -8.320 -6.970 -1.465 39 HB2 LEU 9 1HB LEU 9 -6.766 -9.442 -0.717 40 HB3 LEU 9 2HB LEU 9 -6.543 -7.843 -0.010 41 HG LEU 9 HG LEU 9 -8.975 -8.020 0.742 42 HD11 LEU 9 1HD1 LEU 9 -9.919 -9.764 -0.427 43 HD12 LEU 9 2HD1 LEU 9 -9.532 -10.538 1.109 44 HD13 LEU 9 3HD1 LEU 9 -8.483 -10.778 -0.289 45 HD21 LEU 9 3HD2 LEU 9 -6.549 -9.011 1.854 46 HD22 LEU 9 1HD2 LEU 9 -7.867 -10.080 2.333 47 HD23 LEU 9 2HD2 LEU 9 -7.961 -8.355 2.685 48 H TYR 10 H TYR 10 -6.058 -6.067 -1.459 49 HA TYR 10 HA TYR 10 -4.762 -6.676 -4.033 50 HB2 TYR 10 1HB TYR 10 -5.280 -4.118 -2.585 51 HB3 TYR 10 2HB TYR 10 -3.833 -4.235 -3.580 52 HD1 TYR 10 HD1 TYR 10 -7.522 -4.753 -3.723 53 HD2 TYR 10 HD2 TYR 10 -3.967 -3.815 -5.865 54 HE1 TYR 10 HE1 TYR 10 -8.865 -4.253 -5.721 55 HE2 TYR 10 HE2 TYR 10 -5.301 -3.311 -7.869 56 HH TYR 10 HH TYR 10 -8.632 -4.104 -8.106 57 H TYR 11 H TYR 11 -2.387 -5.947 -4.045 58 HA TYR 11 HA TYR 11 -1.100 -6.646 -1.493 59 HB2 TYR 11 1HB TYR 11 -0.064 -7.552 -4.177 60 HB3 TYR 11 2HB TYR 11 0.468 -8.071 -2.582 61 HD1 TYR 11 HD2 TYR 11 -1.642 -9.017 -1.114 62 HD2 TYR 11 HD1 TYR 11 -1.280 -9.109 -5.353 63 HE1 TYR 11 HE2 TYR 11 -3.210 -10.910 -1.201 64 HE2 TYR 11 HE1 TYR 11 -2.847 -11.001 -5.452 65 HH TYR 11 HH TYR 11 -3.548 -12.903 -3.725 66 H CYS 12 H CYS 12 0.370 -5.220 -0.846 67 HA CYS 12 HA CYS 12 0.893 -2.831 -2.166 68 HB2 CYS 12 1HB CYS 12 1.230 -3.174 0.254 69 HB3 CYS 12 2HB CYS 12 2.615 -4.204 -0.092 70 H SER 13 H SER 13 2.440 -2.118 -3.546 71 HA SER 13 HA SER 13 3.841 -4.069 -5.098 72 HB2 SER 13 1HB SER 13 4.618 -2.171 -6.421 73 HB3 SER 13 2HB SER 13 2.895 -2.002 -6.087 74 HG SER 13 HG SER 13 4.717 -0.833 -4.316 75 H GLN 14 H GLN 14 4.678 -1.855 -2.527 76 HA GLN 14 HA GLN 14 7.512 -2.128 -2.847 77 HB2 GLN 14 1HB GLN 14 6.061 -0.262 -1.648 78 HB3 GLN 14 2HB GLN 14 6.303 -1.299 -0.248 79 HG2 GLN 14 1HG GLN 14 8.035 0.242 -0.123 80 HG3 GLN 14 2HG GLN 14 8.787 -1.192 -0.819 81 HE21 GLN 14 1HE2 GLN 14 8.565 2.067 -1.060 82 HE22 GLN 14 2HE2 GLN 14 9.036 2.273 -2.710 83 H CYS 15 H CYS 15 5.264 -3.239 -0.306 84 HA CYS 15 HA CYS 15 7.149 -5.431 0.262 85 HB2 CYS 15 1HB CYS 15 6.305 -5.454 2.539 86 HB3 CYS 15 2HB CYS 15 6.845 -3.829 2.127 87 H HIS 16 H HIS 16 5.956 -7.343 1.355 88 HA HIS 16 HA HIS 16 3.782 -8.098 -0.443 89 HB2 HIS 16 1HB HIS 16 5.927 -9.507 0.124 90 HB3 HIS 16 2HB HIS 16 5.000 -9.975 1.547 91 HD1 HIS 16 HD1 HIS 16 2.637 -11.156 1.022 92 HD2 HIS 16 HD2 HIS 16 5.309 -10.884 -2.148 93 HE1 HIS 16 HE1 HIS 16 1.820 -12.808 -0.690 94 H TYR 17 H TYR 17 2.894 -6.259 1.319 95 HA TYR 17 HA TYR 17 1.539 -7.751 3.454 96 HB2 TYR 17 1HB TYR 17 2.603 -5.867 4.382 97 HB3 TYR 17 2HB TYR 17 2.123 -4.827 3.045 98 HD1 TYR 17 HD1 TYR 17 0.760 -6.726 5.938 99 HD2 TYR 17 HD2 TYR 17 0.186 -3.523 3.197 100 HE1 TYR 17 HE1 TYR 17 -1.192 -5.976 7.233 101 HE2 TYR 17 HE2 TYR 17 -1.767 -2.764 4.484 102 HH TYR 17 HH TYR 17 -3.316 -4.625 6.743 103 H SER 18 H SER 18 -0.455 -8.416 3.065 104 HA SER 18 HA SER 18 -2.044 -7.057 1.009 105 HB2 SER 18 1HB SER 18 -3.376 -9.072 0.898 106 HB3 SER 18 2HB SER 18 -1.674 -9.525 0.824 107 HG SER 18 HG SER 18 -3.315 -9.595 3.141 108 H SER 19 H SER 19 -3.797 -5.900 1.499 109 HA SER 19 HA SER 19 -5.130 -6.296 4.069 110 HB2 SER 19 1HB SER 19 -3.406 -4.500 4.367 111 HB3 SER 19 2HB SER 19 -4.243 -3.557 3.134 112 HG SER 19 HG SER 19 -4.763 -3.611 5.693 113 H ILE 20 H ILE 20 -7.294 -5.980 3.998 114 HA ILE 20 HA ILE 20 -8.536 -5.735 1.438 115 HB ILE 20 HB ILE 20 -9.433 -7.146 3.296 116 HG12 ILE 20 1HG1 ILE 20 -11.427 -5.075 2.371 117 HG13 ILE 20 2HG1 ILE 20 -10.779 -6.322 1.311 118 HG21 ILE 20 1HG2 ILE 20 -11.004 -5.680 4.836 119 HG22 ILE 20 2HG2 ILE 20 -9.325 -6.002 5.266 120 HG23 ILE 20 3HG2 ILE 20 -9.766 -4.463 4.526 121 HD11 ILE 20 3HD1 ILE 20 -12.712 -7.315 1.979 122 HD12 ILE 20 1HD1 ILE 20 -11.617 -7.913 3.226 123 HD13 ILE 20 2HD1 ILE 20 -12.686 -6.553 3.570 124 H THR 21 H THR 21 -10.287 -4.190 0.973 125 HA THR 21 HA THR 21 -11.165 -2.091 0.783 126 HB THR 21 HB THR 21 -9.718 -1.357 3.330 127 HG1 THR 21 HG1 THR 21 -11.294 -3.292 3.263 128 HG21 THR 21 3HG2 THR 21 -10.705 0.618 3.049 129 HG22 THR 21 1HG2 THR 21 -12.281 -0.172 3.074 130 HG23 THR 21 2HG2 THR 21 -11.434 0.057 1.544 131 H LYS 22 H LYS 22 -9.094 -2.559 -0.788 132 HA LYS 22 HA LYS 22 -6.727 -1.328 -0.742 133 HB2 LYS 22 1HB LYS 22 -7.607 -2.457 -2.731 134 HB3 LYS 22 2HB LYS 22 -8.701 -1.112 -3.023 135 HG2 LYS 22 1HG LYS 22 -6.563 0.320 -3.130 136 HG3 LYS 22 2HG LYS 22 -5.728 -1.222 -3.332 137 HD2 LYS 22 1HD LYS 22 -7.465 -1.654 -5.196 138 HD3 LYS 22 2HD LYS 22 -7.741 0.088 -5.128 139 HE2 LYS 22 1HE LYS 22 -5.377 0.487 -5.574 140 HE3 LYS 22 2HE LYS 22 -5.078 -1.250 -5.603 141 HZ1 LYS 22 3HZ LYS 22 -6.915 -1.181 -7.434 142 HZ2 LYS 22 1HZ LYS 22 -5.310 -0.806 -7.817 143 HZ3 LYS 22 2HZ LYS 22 -6.435 0.434 -7.583 144 H ASN 23 H ASN 23 -9.816 0.340 -1.101 145 HA ASN 23 HA ASN 23 -9.146 2.864 -1.784 146 HB2 ASN 23 1HB ASN 23 -11.437 2.094 -1.174 147 HB3 ASN 23 2HB ASN 23 -10.986 2.203 0.525 148 HD21 ASN 23 1HD2 ASN 23 -13.074 3.613 -0.886 149 HD22 ASN 23 2HD2 ASN 23 -12.734 5.298 -0.714 150 H CYS 24 H CYS 24 -8.874 1.531 1.502 151 HA CYS 24 HA CYS 24 -7.564 3.920 2.467 152 HB2 CYS 24 1HB CYS 24 -8.384 1.311 3.705 153 HB3 CYS 24 2HB CYS 24 -7.280 2.386 4.554 154 HG CYS 24 HG CYS 24 -9.229 4.566 4.245 155 H LEU 25 H LEU 25 -6.677 0.615 1.621 156 HA LEU 25 HA LEU 25 -4.212 0.222 2.554 157 HB2 LEU 25 1HB LEU 25 -5.119 -1.342 1.028 158 HB3 LEU 25 2HB LEU 25 -5.178 -0.149 -0.268 159 HG LEU 25 HG LEU 25 -2.656 -0.148 -0.225 160 HD11 LEU 25 1HD1 LEU 25 -1.450 -1.607 1.031 161 HD12 LEU 25 2HD1 LEU 25 -2.743 -2.805 1.087 162 HD13 LEU 25 3HD1 LEU 25 -2.817 -1.378 2.121 163 HD21 LEU 25 3HD2 LEU 25 -2.608 -2.556 -1.252 164 HD22 LEU 25 1HD2 LEU 25 -3.505 -1.261 -2.045 165 HD23 LEU 25 2HD2 LEU 25 -4.359 -2.449 -1.060 166 H LYS 26 H LYS 26 -4.943 2.393 -0.155 167 HA LYS 26 HA LYS 26 -2.543 3.188 -1.054 168 HB2 LYS 26 1HB LYS 26 -4.540 4.224 -1.887 169 HB3 LYS 26 2HB LYS 26 -4.884 4.948 -0.322 170 HG2 LYS 26 1HG LYS 26 -4.051 6.688 -1.651 171 HG3 LYS 26 2HG LYS 26 -2.714 6.228 -0.595 172 HD2 LYS 26 1HD LYS 26 -1.622 5.053 -2.342 173 HD3 LYS 26 2HD LYS 26 -3.048 5.132 -3.379 174 HE2 LYS 26 1HE LYS 26 -1.462 7.526 -2.460 175 HE3 LYS 26 2HE LYS 26 -1.252 6.727 -4.017 176 HZ1 LYS 26 3HZ LYS 26 -2.808 8.111 -4.754 177 HZ2 LYS 26 1HZ LYS 26 -3.244 8.605 -3.196 178 HZ3 LYS 26 2HZ LYS 26 -3.932 7.212 -3.865 179 H ARG 27 H ARG 27 -4.029 4.437 1.929 180 HA ARG 27 HA ARG 27 -2.092 6.225 2.713 181 HB2 ARG 27 1HB ARG 27 -4.352 5.536 3.827 182 HB3 ARG 27 2HB ARG 27 -3.354 4.413 4.741 183 HG2 ARG 27 1HG ARG 27 -2.191 6.123 5.809 184 HG3 ARG 27 2HG ARG 27 -2.675 7.325 4.611 185 HD2 ARG 27 1HD ARG 27 -4.763 5.960 6.249 186 HD3 ARG 27 2HD ARG 27 -3.811 7.257 6.970 187 HE ARG 27 HE ARG 27 -4.804 8.110 4.484 188 HH11 ARG 27 1HH1 ARG 27 -5.900 7.345 7.698 189 HH12 ARG 27 2HH1 ARG 27 -7.254 8.425 7.634 190 HH21 ARG 27 1HH2 ARG 27 -6.582 9.535 4.387 191 HH22 ARG 27 2HH2 ARG 27 -7.641 9.669 5.750 192 H HIS 28 H HIS 28 -2.272 2.817 3.763 193 HA HIS 28 HA HIS 28 -0.053 2.512 5.231 194 HB2 HIS 28 1HB HIS 28 -1.145 0.511 4.936 195 HB3 HIS 28 2HB HIS 28 -1.333 0.746 3.201 196 HD1 HIS 28 HD1 HIS 28 0.460 -1.264 5.517 197 HD2 HIS 28 HD2 HIS 28 1.381 0.506 1.873 198 HE1 HIS 28 HE1 HIS 28 2.465 -2.511 4.652 199 H VAL 29 H VAL 29 -0.056 2.544 1.676 200 HA VAL 29 HA VAL 29 2.673 2.151 1.272 201 HB VAL 29 HB VAL 29 0.774 3.795 -0.408 202 HG11 VAL 29 1HG1 VAL 29 2.490 2.927 -2.202 203 HG12 VAL 29 2HG1 VAL 29 2.811 4.394 -1.275 204 HG13 VAL 29 3HG1 VAL 29 3.577 2.873 -0.815 205 HG21 VAL 29 3HG2 VAL 29 1.552 1.094 -1.264 206 HG22 VAL 29 1HG2 VAL 29 0.541 1.159 0.180 207 HG23 VAL 29 2HG2 VAL 29 -0.017 1.896 -1.322 208 H ILE 30 H ILE 30 0.858 5.135 1.830 209 HA ILE 30 HA ILE 30 3.126 6.846 1.500 210 HB ILE 30 HB ILE 30 0.515 7.454 2.890 211 HG12 ILE 30 1HG1 ILE 30 1.234 8.129 0.042 212 HG13 ILE 30 2HG1 ILE 30 0.408 6.633 0.462 213 HG21 ILE 30 1HG2 ILE 30 2.483 8.980 3.296 214 HG22 ILE 30 2HG2 ILE 30 2.423 9.373 1.578 215 HG23 ILE 30 3HG2 ILE 30 1.046 9.744 2.616 216 HD11 ILE 30 3HD1 ILE 30 -0.576 9.446 0.820 217 HD12 ILE 30 1HD1 ILE 30 -1.246 8.178 -0.206 218 HD13 ILE 30 2HD1 ILE 30 -1.360 8.044 1.549 219 H GLN 31 H GLN 31 1.579 5.240 4.204 220 HA GLN 31 HA GLN 31 3.131 6.648 6.185 221 HB2 GLN 31 1HB GLN 31 0.759 5.577 6.416 222 HB3 GLN 31 2HB GLN 31 1.656 4.097 6.731 223 HG2 GLN 31 1HG GLN 31 2.701 5.046 8.647 224 HG3 GLN 31 2HG GLN 31 2.069 6.648 8.266 225 HE21 GLN 31 1HE2 GLN 31 1.430 3.587 9.689 226 HE22 GLN 31 2HE2 GLN 31 -0.141 3.954 10.305 227 H LYS 32 H LYS 32 2.848 3.156 5.525 228 HA LYS 32 HA LYS 32 5.159 2.365 6.817 229 HB2 LYS 32 1HB LYS 32 3.724 1.183 4.443 230 HB3 LYS 32 2HB LYS 32 5.103 0.394 5.198 231 HG2 LYS 32 1HG LYS 32 2.788 1.206 6.888 232 HG3 LYS 32 2HG LYS 32 2.668 -0.240 5.883 233 HD2 LYS 32 1HD LYS 32 3.498 -1.141 7.826 234 HD3 LYS 32 2HD LYS 32 4.999 -0.793 6.964 235 HE2 LYS 32 1HE LYS 32 5.540 0.956 8.336 236 HE3 LYS 32 2HE LYS 32 3.857 1.328 8.707 237 HZ1 LYS 32 3HZ LYS 32 3.832 -0.095 10.428 238 HZ2 LYS 32 1HZ LYS 32 5.510 0.116 10.403 239 HZ3 LYS 32 2HZ LYS 32 4.817 -1.237 9.662 240 H HIS 33 H HIS 33 4.747 3.498 3.500 241 HA HIS 33 HA HIS 33 7.681 3.544 3.226 242 HB2 HIS 33 1HB HIS 33 5.789 3.522 0.888 243 HB3 HIS 33 2HB HIS 33 7.498 3.099 0.923 244 HD1 HIS 33 HD1 HIS 33 7.824 0.912 2.784 245 HD2 HIS 33 HD2 HIS 33 4.321 1.290 0.582 246 HE1 HIS 33 HE1 HIS 33 6.791 -1.381 2.765 247 H SER 34 H SER 34 8.613 5.468 2.963 248 HA SER 34 HA SER 34 6.880 7.803 2.602 249 HB2 SER 34 1HB SER 34 8.376 7.769 4.575 250 HB3 SER 34 2HB SER 34 9.770 7.674 3.498 251 HG SER 34 HG SER 34 8.298 9.711 2.691 252 H ASN 35 H ASN 35 6.945 9.040 0.829 253 HA ASN 35 HA ASN 35 8.751 8.245 -1.322 254 HB2 ASN 35 1HB ASN 35 6.158 8.634 -1.497 255 HB3 ASN 35 2HB ASN 35 6.621 10.327 -1.640 256 HD21 ASN 35 1HD2 ASN 35 7.580 11.048 -3.487 257 HD22 ASN 35 2HD2 ASN 35 7.759 10.081 -4.907 258 H ILE 36 H ILE 36 10.665 9.234 -1.304 259 HA ILE 36 HA ILE 36 10.918 11.962 -0.336 260 HB ILE 36 HB ILE 36 13.032 10.068 -1.370 261 HG12 ILE 36 1HG1 ILE 36 13.610 10.206 1.195 262 HG13 ILE 36 2HG1 ILE 36 11.910 10.639 1.347 263 HG21 ILE 36 1HG2 ILE 36 14.172 12.000 -1.586 264 HG22 ILE 36 2HG2 ILE 36 13.090 12.882 -0.509 265 HG23 ILE 36 3HG2 ILE 36 14.353 11.851 0.162 266 HD11 ILE 36 3HD1 ILE 36 12.465 8.268 -0.294 267 HD12 ILE 36 1HD1 ILE 36 12.845 8.119 1.421 268 HD13 ILE 36 2HD1 ILE 36 11.212 8.553 0.914 269 H LEU 37 H LEU 37 11.551 13.715 -1.553 270 HA LEU 37 HA LEU 37 11.088 13.467 -4.422 271 HB2 LEU 37 1HB LEU 37 9.852 15.225 -3.525 272 HB3 LEU 37 2HB LEU 37 11.180 15.756 -2.496 273 HG LEU 37 HG LEU 37 12.364 16.502 -4.588 274 HD11 LEU 37 1HD1 LEU 37 9.843 16.675 -6.065 275 HD12 LEU 37 2HD1 LEU 37 10.475 15.038 -5.891 276 HD13 LEU 37 3HD1 LEU 37 11.470 16.293 -6.629 277 HD21 LEU 37 3HD2 LEU 37 9.709 17.770 -3.919 278 HD22 LEU 37 1HD2 LEU 37 11.014 18.547 -4.817 279 HD23 LEU 37 2HD2 LEU 37 11.255 18.089 -3.131 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -20.901 -21.910 -12.585 2 HA2 GLY 1 1HA GLY 1 -20.513 -19.638 -12.946 3 HA3 GLY 1 2HA GLY 1 -21.945 -19.553 -11.931 4 H SER 2 H SER 2 -21.743 -18.114 -10.365 5 HA SER 2 HA SER 2 -19.260 -17.019 -9.567 6 HB2 SER 2 1HB SER 2 -22.054 -16.813 -8.450 7 HB3 SER 2 2HB SER 2 -20.686 -15.995 -7.695 8 HG SER 2 HG SER 2 -22.038 -14.896 -9.442 9 H SER 3 H SER 3 -17.965 -18.762 -8.900 10 HA SER 3 HA SER 3 -18.615 -20.699 -7.018 11 HB2 SER 3 1HB SER 3 -15.983 -19.431 -7.765 12 HB3 SER 3 2HB SER 3 -16.089 -20.728 -6.574 13 HG SER 3 HG SER 3 -16.497 -22.124 -8.115 14 H GLY 4 H GLY 4 -17.359 -20.831 -4.825 15 HA2 GLY 4 1HA GLY 4 -18.440 -18.743 -3.176 16 HA3 GLY 4 2HA GLY 4 -17.535 -20.145 -2.625 17 H SER 5 H SER 5 -16.696 -17.460 -4.807 18 HA SER 5 HA SER 5 -14.050 -17.230 -4.062 19 HB2 SER 5 1HB SER 5 -15.921 -15.029 -4.969 20 HB3 SER 5 2HB SER 5 -14.161 -14.914 -4.946 21 HG SER 5 HG SER 5 -15.508 -16.969 -6.343 22 H SER 6 H SER 6 -13.099 -16.729 -2.214 23 HA SER 6 HA SER 6 -14.540 -15.789 0.043 24 HB2 SER 6 1HB SER 6 -12.356 -17.224 -0.088 25 HB3 SER 6 2HB SER 6 -11.546 -15.658 -0.122 26 HG SER 6 HG SER 6 -12.410 -15.177 1.863 27 H GLY 7 H GLY 7 -12.027 -14.273 -1.981 28 HA2 GLY 7 1HA GLY 7 -13.145 -11.770 -2.179 29 HA3 GLY 7 2HA GLY 7 -12.247 -11.740 -0.669 30 H HIS 8 H HIS 8 -11.722 -10.124 -2.960 31 HA HIS 8 HA HIS 8 -9.151 -11.219 -3.886 32 HB2 HIS 8 1HB HIS 8 -10.753 -8.963 -5.104 33 HB3 HIS 8 2HB HIS 8 -9.310 -9.713 -5.780 34 HD1 HIS 8 HD1 HIS 8 -12.536 -9.598 -6.717 35 HD2 HIS 8 HD2 HIS 8 -10.167 -12.838 -5.642 36 HE1 HIS 8 HE1 HIS 8 -13.623 -11.605 -7.771 37 H LEU 9 H LEU 9 -7.626 -10.559 -2.490 38 HA LEU 9 HA LEU 9 -7.714 -7.879 -1.367 39 HB2 LEU 9 1HB LEU 9 -6.128 -10.348 -0.862 40 HB3 LEU 9 2HB LEU 9 -5.460 -8.796 -0.361 41 HG LEU 9 HG LEU 9 -6.613 -9.991 1.463 42 HD11 LEU 9 1HD1 LEU 9 -7.232 -7.288 0.538 43 HD12 LEU 9 2HD1 LEU 9 -6.701 -7.855 2.120 44 HD13 LEU 9 3HD1 LEU 9 -8.406 -7.945 1.679 45 HD21 LEU 9 3HD2 LEU 9 -8.809 -10.618 1.409 46 HD22 LEU 9 1HD2 LEU 9 -8.393 -10.842 -0.290 47 HD23 LEU 9 2HD2 LEU 9 -9.249 -9.388 0.223 48 H TYR 10 H TYR 10 -5.887 -6.434 -1.480 49 HA TYR 10 HA TYR 10 -4.561 -6.580 -4.093 50 HB2 TYR 10 1HB TYR 10 -5.212 -4.293 -2.245 51 HB3 TYR 10 2HB TYR 10 -4.059 -4.113 -3.563 52 HD1 TYR 10 HD1 TYR 10 -7.565 -5.196 -2.892 53 HD2 TYR 10 HD2 TYR 10 -4.820 -3.516 -5.676 54 HE1 TYR 10 HE1 TYR 10 -9.420 -4.751 -4.445 55 HE2 TYR 10 HE2 TYR 10 -6.668 -3.066 -7.235 56 HH TYR 10 HH TYR 10 -9.951 -4.165 -6.560 57 H TYR 11 H TYR 11 -2.362 -6.441 -4.320 58 HA TYR 11 HA TYR 11 -0.812 -6.890 -1.871 59 HB2 TYR 11 1HB TYR 11 0.280 -7.255 -4.642 60 HB3 TYR 11 2HB TYR 11 0.745 -8.066 -3.151 61 HD1 TYR 11 HD2 TYR 11 -1.138 -9.566 -2.074 62 HD2 TYR 11 HD1 TYR 11 -1.036 -8.396 -6.163 63 HE1 TYR 11 HE2 TYR 11 -2.596 -11.462 -2.647 64 HE2 TYR 11 HE1 TYR 11 -2.494 -10.288 -6.748 65 HH TYR 11 HH TYR 11 -3.495 -12.138 -6.010 66 H CYS 12 H CYS 12 0.192 -5.192 -1.045 67 HA CYS 12 HA CYS 12 0.429 -2.679 -2.030 68 HB2 CYS 12 1HB CYS 12 1.043 -3.078 0.234 69 HB3 CYS 12 2HB CYS 12 2.319 -4.197 -0.235 70 H SER 13 H SER 13 2.173 -1.450 -2.962 71 HA SER 13 HA SER 13 3.300 -2.734 -5.245 72 HB2 SER 13 1HB SER 13 3.809 0.034 -4.127 73 HB3 SER 13 2HB SER 13 4.291 -0.528 -5.727 74 HG SER 13 HG SER 13 2.253 -0.460 -6.389 75 H GLN 14 H GLN 14 4.884 -0.980 -2.569 76 HA GLN 14 HA GLN 14 7.473 -1.898 -3.155 77 HB2 GLN 14 1HB GLN 14 6.166 -0.592 -0.820 78 HB3 GLN 14 2HB GLN 14 7.739 -1.335 -0.568 79 HG2 GLN 14 1HG GLN 14 8.488 0.026 -2.606 80 HG3 GLN 14 2HG GLN 14 7.008 0.950 -2.356 81 HE21 GLN 14 1HE2 GLN 14 9.025 2.486 -2.185 82 HE22 GLN 14 2HE2 GLN 14 9.519 2.823 -0.564 83 H CYS 15 H CYS 15 5.440 -2.844 -0.378 84 HA CYS 15 HA CYS 15 6.906 -5.377 -0.248 85 HB2 CYS 15 1HB CYS 15 6.118 -5.587 1.999 86 HB3 CYS 15 2HB CYS 15 6.668 -3.926 1.799 87 H HIS 16 H HIS 16 5.372 -7.203 0.704 88 HA HIS 16 HA HIS 16 3.149 -7.422 -1.203 89 HB2 HIS 16 1HB HIS 16 3.416 -9.769 -1.144 90 HB3 HIS 16 2HB HIS 16 5.054 -9.125 -1.190 91 HD1 HIS 16 HD1 HIS 16 4.187 -11.956 -0.026 92 HD2 HIS 16 HD2 HIS 16 5.042 -8.541 2.180 93 HE1 HIS 16 HE1 HIS 16 4.844 -12.778 2.258 94 H TYR 17 H TYR 17 2.640 -5.885 1.022 95 HA TYR 17 HA TYR 17 1.266 -7.565 2.964 96 HB2 TYR 17 1HB TYR 17 2.408 -5.782 3.994 97 HB3 TYR 17 2HB TYR 17 1.855 -4.618 2.795 98 HD1 TYR 17 HD1 TYR 17 0.749 -6.698 5.657 99 HD2 TYR 17 HD2 TYR 17 -0.146 -3.406 3.114 100 HE1 TYR 17 HE1 TYR 17 -1.109 -6.066 7.139 101 HE2 TYR 17 HE2 TYR 17 -2.006 -2.765 4.590 102 HH TYR 17 HH TYR 17 -3.453 -3.723 6.250 103 H SER 18 H SER 18 -0.736 -8.211 2.583 104 HA SER 18 HA SER 18 -2.451 -6.606 0.823 105 HB2 SER 18 1HB SER 18 -2.331 -9.507 1.531 106 HB3 SER 18 2HB SER 18 -3.884 -8.822 1.054 107 HG SER 18 HG SER 18 -2.373 -7.909 -0.748 108 H SER 19 H SER 19 -4.182 -5.563 1.575 109 HA SER 19 HA SER 19 -5.358 -6.349 4.133 110 HB2 SER 19 1HB SER 19 -5.115 -4.271 5.173 111 HB3 SER 19 2HB SER 19 -3.558 -4.482 4.372 112 HG SER 19 HG SER 19 -4.652 -3.279 2.572 113 H ILE 20 H ILE 20 -7.519 -6.204 4.138 114 HA ILE 20 HA ILE 20 -8.978 -5.769 1.812 115 HB ILE 20 HB ILE 20 -10.884 -6.167 3.032 116 HG12 ILE 20 1HG1 ILE 20 -10.774 -4.093 4.357 117 HG13 ILE 20 2HG1 ILE 20 -11.254 -5.466 5.347 118 HG21 ILE 20 1HG2 ILE 20 -10.346 -8.043 4.128 119 HG22 ILE 20 2HG2 ILE 20 -8.682 -7.639 3.708 120 HG23 ILE 20 3HG2 ILE 20 -9.328 -7.187 5.286 121 HD11 ILE 20 3HD1 ILE 20 -9.325 -3.656 5.981 122 HD12 ILE 20 1HD1 ILE 20 -9.471 -5.272 6.670 123 HD13 ILE 20 2HD1 ILE 20 -8.377 -4.986 5.316 124 H THR 21 H THR 21 -10.563 -4.119 1.319 125 HA THR 21 HA THR 21 -11.279 -1.974 1.029 126 HB THR 21 HB THR 21 -9.839 -1.289 3.595 127 HG1 THR 21 HG1 THR 21 -12.255 -1.562 4.261 128 HG21 THR 21 3HG2 THR 21 -11.143 0.326 1.755 129 HG22 THR 21 1HG2 THR 21 -10.766 0.739 3.427 130 HG23 THR 21 2HG2 THR 21 -12.343 0.062 3.019 131 H LYS 22 H LYS 22 -9.254 -2.580 -0.520 132 HA LYS 22 HA LYS 22 -6.805 -1.451 -0.414 133 HB2 LYS 22 1HB LYS 22 -7.372 -2.658 -2.365 134 HB3 LYS 22 2HB LYS 22 -8.735 -1.605 -2.719 135 HG2 LYS 22 1HG LYS 22 -7.104 -1.014 -4.278 136 HG3 LYS 22 2HG LYS 22 -7.014 0.243 -3.043 137 HD2 LYS 22 1HD LYS 22 -5.027 -0.611 -2.154 138 HD3 LYS 22 2HD LYS 22 -5.252 -2.183 -2.924 139 HE2 LYS 22 1HE LYS 22 -4.790 -1.250 -5.088 140 HE3 LYS 22 2HE LYS 22 -4.755 0.384 -4.425 141 HZ1 LYS 22 3HZ LYS 22 -2.846 -1.782 -3.725 142 HZ2 LYS 22 1HZ LYS 22 -2.797 -0.187 -3.160 143 HZ3 LYS 22 2HZ LYS 22 -2.528 -0.513 -4.798 144 H ASN 23 H ASN 23 -9.822 0.257 -1.099 145 HA ASN 23 HA ASN 23 -9.029 2.704 -1.919 146 HB2 ASN 23 1HB ASN 23 -11.373 2.132 -1.491 147 HB3 ASN 23 2HB ASN 23 -11.076 2.167 0.245 148 HD21 ASN 23 1HD2 ASN 23 -11.381 4.013 1.282 149 HD22 ASN 23 2HD2 ASN 23 -11.587 5.560 0.541 150 H CYS 24 H CYS 24 -8.859 1.504 1.406 151 HA CYS 24 HA CYS 24 -7.621 3.969 2.317 152 HB2 CYS 24 1HB CYS 24 -9.306 2.490 3.634 153 HB3 CYS 24 2HB CYS 24 -7.905 1.483 3.979 154 HG CYS 24 HG CYS 24 -6.688 4.214 4.790 155 H LEU 25 H LEU 25 -6.738 0.664 1.560 156 HA LEU 25 HA LEU 25 -4.329 0.280 2.713 157 HB2 LEU 25 1HB LEU 25 -5.160 -1.388 1.273 158 HB3 LEU 25 2HB LEU 25 -5.203 -0.287 -0.103 159 HG LEU 25 HG LEU 25 -2.714 -0.273 -0.093 160 HD11 LEU 25 1HD1 LEU 25 -1.831 -0.897 1.881 161 HD12 LEU 25 2HD1 LEU 25 -1.934 -2.514 1.184 162 HD13 LEU 25 3HD1 LEU 25 -3.191 -1.946 2.283 163 HD21 LEU 25 3HD2 LEU 25 -3.023 -1.787 -1.684 164 HD22 LEU 25 1HD2 LEU 25 -4.495 -2.361 -0.901 165 HD23 LEU 25 2HD2 LEU 25 -2.935 -3.055 -0.460 166 H LYS 26 H LYS 26 -4.886 2.232 -0.201 167 HA LYS 26 HA LYS 26 -2.450 2.943 -1.039 168 HB2 LYS 26 1HB LYS 26 -4.884 4.642 -0.596 169 HB3 LYS 26 2HB LYS 26 -3.409 5.357 -1.236 170 HG2 LYS 26 1HG LYS 26 -4.587 2.921 -2.507 171 HG3 LYS 26 2HG LYS 26 -5.223 4.527 -2.870 172 HD2 LYS 26 1HD LYS 26 -2.292 3.899 -3.071 173 HD3 LYS 26 2HD LYS 26 -3.402 3.598 -4.410 174 HE2 LYS 26 1HE LYS 26 -3.821 5.845 -4.739 175 HE3 LYS 26 2HE LYS 26 -3.373 6.276 -3.089 176 HZ1 LYS 26 3HZ LYS 26 -1.522 6.990 -4.138 177 HZ2 LYS 26 1HZ LYS 26 -1.689 5.919 -5.438 178 HZ3 LYS 26 2HZ LYS 26 -1.051 5.374 -3.969 179 H ARG 27 H ARG 27 -3.954 4.130 1.930 180 HA ARG 27 HA ARG 27 -2.040 6.035 2.641 181 HB2 ARG 27 1HB ARG 27 -4.176 5.881 3.786 182 HB3 ARG 27 2HB ARG 27 -3.765 4.286 4.401 183 HG2 ARG 27 1HG ARG 27 -2.052 5.195 5.802 184 HG3 ARG 27 2HG ARG 27 -2.247 6.793 5.078 185 HD2 ARG 27 1HD ARG 27 -3.497 7.084 6.962 186 HD3 ARG 27 2HD ARG 27 -4.743 6.453 5.885 187 HE ARG 27 HE ARG 27 -4.805 4.513 7.127 188 HH11 ARG 27 1HH1 ARG 27 -2.084 6.459 8.093 189 HH12 ARG 27 2HH1 ARG 27 -1.738 5.509 9.500 190 HH21 ARG 27 1HH2 ARG 27 -4.358 3.254 8.976 191 HH22 ARG 27 2HH2 ARG 27 -3.031 3.686 10.001 192 H HIS 28 H HIS 28 -2.287 2.638 3.703 193 HA HIS 28 HA HIS 28 -0.201 2.302 5.330 194 HB2 HIS 28 1HB HIS 28 -1.205 0.291 4.876 195 HB3 HIS 28 2HB HIS 28 -1.283 0.598 3.143 196 HD1 HIS 28 HD1 HIS 28 0.564 -1.278 5.630 197 HD2 HIS 28 HD2 HIS 28 1.346 0.259 1.850 198 HE1 HIS 28 HE1 HIS 28 2.603 -2.504 4.814 199 H VAL 29 H VAL 29 0.157 2.301 1.783 200 HA VAL 29 HA VAL 29 2.948 2.085 1.730 201 HB VAL 29 HB VAL 29 1.121 3.411 -0.279 202 HG11 VAL 29 1HG1 VAL 29 2.859 3.721 -1.673 203 HG12 VAL 29 2HG1 VAL 29 3.818 3.683 -0.192 204 HG13 VAL 29 3HG1 VAL 29 3.655 2.228 -1.176 205 HG21 VAL 29 3HG2 VAL 29 1.468 1.212 -1.485 206 HG22 VAL 29 1HG2 VAL 29 2.127 0.593 0.030 207 HG23 VAL 29 2HG2 VAL 29 0.456 1.154 -0.041 208 H ILE 30 H ILE 30 0.850 4.942 1.763 209 HA ILE 30 HA ILE 30 2.748 6.923 1.392 210 HB ILE 30 HB ILE 30 0.352 7.078 3.224 211 HG12 ILE 30 1HG1 ILE 30 -0.080 6.316 0.840 212 HG13 ILE 30 2HG1 ILE 30 -0.934 7.770 1.346 213 HG21 ILE 30 1HG2 ILE 30 1.569 8.985 3.692 214 HG22 ILE 30 2HG2 ILE 30 2.189 9.119 2.047 215 HG23 ILE 30 3HG2 ILE 30 0.510 9.533 2.393 216 HD11 ILE 30 3HD1 ILE 30 1.627 7.783 -0.229 217 HD12 ILE 30 1HD1 ILE 30 0.017 7.877 -0.942 218 HD13 ILE 30 2HD1 ILE 30 0.582 9.157 0.132 219 H GLN 31 H GLN 31 1.566 5.651 4.509 220 HA GLN 31 HA GLN 31 3.573 7.047 6.000 221 HB2 GLN 31 1HB GLN 31 1.193 6.185 6.724 222 HB3 GLN 31 2HB GLN 31 2.073 4.715 7.121 223 HG2 GLN 31 1HG GLN 31 3.608 6.141 8.511 224 HG3 GLN 31 2HG GLN 31 2.470 7.465 8.262 225 HE21 GLN 31 1HE2 GLN 31 1.435 7.750 10.107 226 HE22 GLN 31 2HE2 GLN 31 0.692 6.511 11.053 227 H LYS 32 H LYS 32 2.940 3.550 5.675 228 HA LYS 32 HA LYS 32 5.289 2.610 6.750 229 HB2 LYS 32 1HB LYS 32 3.807 1.407 4.405 230 HB3 LYS 32 2HB LYS 32 4.915 0.559 5.475 231 HG2 LYS 32 1HG LYS 32 2.377 1.864 6.422 232 HG3 LYS 32 2HG LYS 32 2.480 0.176 5.918 233 HD2 LYS 32 1HD LYS 32 4.423 1.172 7.942 234 HD3 LYS 32 2HD LYS 32 2.757 0.881 8.449 235 HE2 LYS 32 1HE LYS 32 3.148 -1.393 7.152 236 HE3 LYS 32 2HE LYS 32 4.834 -1.038 7.526 237 HZ1 LYS 32 3HZ LYS 32 4.520 -1.407 9.711 238 HZ2 LYS 32 1HZ LYS 32 3.216 -2.342 9.175 239 HZ3 LYS 32 2HZ LYS 32 2.955 -0.764 9.725 240 H HIS 33 H HIS 33 4.693 3.767 3.478 241 HA HIS 33 HA HIS 33 7.596 3.650 2.990 242 HB2 HIS 33 1HB HIS 33 5.498 3.358 0.839 243 HB3 HIS 33 2HB HIS 33 7.233 3.091 0.695 244 HD1 HIS 33 HD1 HIS 33 7.865 1.163 2.862 245 HD2 HIS 33 HD2 HIS 33 4.346 0.927 0.667 246 HE1 HIS 33 HE1 HIS 33 7.095 -1.221 3.082 247 H SER 34 H SER 34 7.840 5.799 3.679 248 HA SER 34 HA SER 34 6.345 8.000 2.969 249 HB2 SER 34 1HB SER 34 8.191 8.057 4.608 250 HB3 SER 34 2HB SER 34 9.355 7.897 3.293 251 HG SER 34 HG SER 34 8.805 10.104 4.134 252 H ASN 35 H ASN 35 8.948 6.438 1.159 253 HA ASN 35 HA ASN 35 9.125 8.342 -0.912 254 HB2 ASN 35 1HB ASN 35 10.857 6.638 -0.489 255 HB3 ASN 35 2HB ASN 35 9.739 5.380 -1.007 256 HD21 ASN 35 1HD2 ASN 35 11.388 8.304 -2.083 257 HD22 ASN 35 2HD2 ASN 35 11.490 7.849 -3.747 258 H ILE 36 H ILE 36 7.502 8.920 -2.192 259 HA ILE 36 HA ILE 36 5.610 6.850 -3.094 260 HB ILE 36 HB ILE 36 5.206 9.839 -2.937 261 HG12 ILE 36 1HG1 ILE 36 3.718 7.740 -1.378 262 HG13 ILE 36 2HG1 ILE 36 5.237 8.404 -0.785 263 HG21 ILE 36 1HG2 ILE 36 2.745 8.873 -3.300 264 HG22 ILE 36 2HG2 ILE 36 3.790 9.352 -4.637 265 HG23 ILE 36 3HG2 ILE 36 3.657 7.652 -4.187 266 HD11 ILE 36 3HD1 ILE 36 4.328 10.438 -0.331 267 HD12 ILE 36 1HD1 ILE 36 3.106 10.301 -1.595 268 HD13 ILE 36 2HD1 ILE 36 2.914 9.414 -0.082 269 H LEU 37 H LEU 37 5.821 6.222 -5.129 270 HA LEU 37 HA LEU 37 7.542 7.518 -6.974 271 HB2 LEU 37 1HB LEU 37 5.436 5.453 -7.581 272 HB3 LEU 37 2HB LEU 37 6.861 5.837 -8.545 273 HG LEU 37 HG LEU 37 7.243 4.840 -5.762 274 HD11 LEU 37 1HD1 LEU 37 6.350 3.192 -8.108 275 HD12 LEU 37 2HD1 LEU 37 5.694 3.224 -6.471 276 HD13 LEU 37 3HD1 LEU 37 7.278 2.509 -6.772 277 HD21 LEU 37 3HD2 LEU 37 8.730 4.604 -8.371 278 HD22 LEU 37 1HD2 LEU 37 9.193 3.753 -6.897 279 HD23 LEU 37 2HD2 LEU 37 9.203 5.516 -6.937 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -22.117 -23.480 -4.392 2 HA2 GLY 1 1HA GLY 1 -20.261 -22.961 -2.419 3 HA3 GLY 1 2HA GLY 1 -20.119 -22.391 -4.075 4 H SER 2 H SER 2 -19.324 -20.379 -3.761 5 HA SER 2 HA SER 2 -20.463 -18.630 -1.757 6 HB2 SER 2 1HB SER 2 -18.306 -18.177 -3.830 7 HB3 SER 2 2HB SER 2 -18.789 -16.988 -2.621 8 HG SER 2 HG SER 2 -17.488 -19.460 -2.264 9 H SER 3 H SER 3 -21.394 -16.569 -2.221 10 HA SER 3 HA SER 3 -22.625 -16.396 -4.894 11 HB2 SER 3 1HB SER 3 -24.233 -17.087 -3.098 12 HB3 SER 3 2HB SER 3 -23.922 -15.549 -2.293 13 HG SER 3 HG SER 3 -24.715 -15.597 -4.991 14 H GLY 4 H GLY 4 -21.285 -14.876 -5.771 15 HA2 GLY 4 1HA GLY 4 -20.173 -12.861 -6.015 16 HA3 GLY 4 2HA GLY 4 -21.743 -12.220 -5.554 17 H SER 5 H SER 5 -18.615 -13.273 -4.305 18 HA SER 5 HA SER 5 -19.072 -11.556 -1.952 19 HB2 SER 5 1HB SER 5 -17.380 -13.033 -0.799 20 HB3 SER 5 2HB SER 5 -18.902 -13.828 -1.198 21 HG SER 5 HG SER 5 -16.941 -13.968 -3.140 22 H SER 6 H SER 6 -17.040 -10.659 -1.007 23 HA SER 6 HA SER 6 -15.528 -9.369 -3.080 24 HB2 SER 6 1HB SER 6 -16.228 -8.169 -1.032 25 HB3 SER 6 2HB SER 6 -15.189 -9.224 -0.073 26 HG SER 6 HG SER 6 -13.434 -8.426 -1.441 27 H GLY 7 H GLY 7 -14.968 -11.925 -3.482 28 HA2 GLY 7 1HA GLY 7 -12.697 -12.864 -2.004 29 HA3 GLY 7 2HA GLY 7 -13.336 -13.558 -3.487 30 H HIS 8 H HIS 8 -11.784 -10.495 -2.514 31 HA HIS 8 HA HIS 8 -9.560 -10.954 -4.269 32 HB2 HIS 8 1HB HIS 8 -9.951 -8.974 -5.701 33 HB3 HIS 8 2HB HIS 8 -11.179 -10.216 -5.929 34 HD1 HIS 8 HD1 HIS 8 -10.714 -6.705 -4.881 35 HD2 HIS 8 HD2 HIS 8 -13.743 -9.549 -4.860 36 HE1 HIS 8 HE1 HIS 8 -12.834 -5.427 -4.437 37 H LEU 9 H LEU 9 -7.918 -9.314 -4.083 38 HA LEU 9 HA LEU 9 -8.292 -7.205 -2.136 39 HB2 LEU 9 1HB LEU 9 -6.545 -9.593 -1.630 40 HB3 LEU 9 2HB LEU 9 -6.243 -8.040 -0.855 41 HG LEU 9 HG LEU 9 -8.839 -9.546 -0.590 42 HD11 LEU 9 1HD1 LEU 9 -7.721 -11.005 0.669 43 HD12 LEU 9 2HD1 LEU 9 -7.540 -9.693 1.833 44 HD13 LEU 9 3HD1 LEU 9 -6.259 -10.018 0.665 45 HD21 LEU 9 3HD2 LEU 9 -9.270 -8.060 1.230 46 HD22 LEU 9 1HD2 LEU 9 -8.820 -7.084 -0.168 47 HD23 LEU 9 2HD2 LEU 9 -7.651 -7.369 1.121 48 H TYR 10 H TYR 10 -6.015 -6.141 -1.731 49 HA TYR 10 HA TYR 10 -4.538 -6.109 -4.278 50 HB2 TYR 10 1HB TYR 10 -5.512 -3.768 -2.644 51 HB3 TYR 10 2HB TYR 10 -4.235 -3.616 -3.846 52 HD1 TYR 10 HD1 TYR 10 -7.620 -5.211 -3.670 53 HD2 TYR 10 HD2 TYR 10 -4.927 -2.751 -5.860 54 HE1 TYR 10 HE1 TYR 10 -9.318 -4.926 -5.426 55 HE2 TYR 10 HE2 TYR 10 -6.618 -2.458 -7.622 56 HH TYR 10 HH TYR 10 -8.678 -3.856 -8.445 57 H TYR 11 H TYR 11 -2.403 -6.325 -4.090 58 HA TYR 11 HA TYR 11 -1.243 -6.318 -1.406 59 HB2 TYR 11 1HB TYR 11 -0.284 -7.420 -4.047 60 HB3 TYR 11 2HB TYR 11 0.728 -7.381 -2.607 61 HD1 TYR 11 HD1 TYR 11 -2.423 -8.754 -3.995 62 HD2 TYR 11 HD2 TYR 11 0.516 -9.029 -0.931 63 HE1 TYR 11 HE1 TYR 11 -3.395 -10.891 -3.263 64 HE2 TYR 11 HE2 TYR 11 -0.448 -11.168 -0.191 65 HH TYR 11 HH TYR 11 -3.324 -12.531 -1.767 66 H CYS 12 H CYS 12 0.168 -4.830 -0.722 67 HA CYS 12 HA CYS 12 0.497 -2.376 -1.919 68 HB2 CYS 12 1HB CYS 12 1.023 -2.638 0.401 69 HB3 CYS 12 2HB CYS 12 2.276 -3.823 0.046 70 H SER 13 H SER 13 2.016 -1.410 -3.222 71 HA SER 13 HA SER 13 3.261 -3.022 -5.176 72 HB2 SER 13 1HB SER 13 3.498 -0.089 -4.500 73 HB3 SER 13 2HB SER 13 4.376 -0.824 -5.842 74 HG SER 13 HG SER 13 2.167 -1.614 -6.466 75 H GLN 14 H GLN 14 4.629 -1.079 -2.526 76 HA GLN 14 HA GLN 14 7.313 -1.797 -2.990 77 HB2 GLN 14 1HB GLN 14 5.995 -0.928 -0.411 78 HB3 GLN 14 2HB GLN 14 7.727 -0.955 -0.714 79 HG2 GLN 14 1HG GLN 14 5.806 0.677 -2.347 80 HG3 GLN 14 2HG GLN 14 6.604 1.286 -0.897 81 HE21 GLN 14 1HE2 GLN 14 7.000 2.615 -3.185 82 HE22 GLN 14 2HE2 GLN 14 8.598 2.351 -3.786 83 H CYS 15 H CYS 15 5.239 -2.857 -0.285 84 HA CYS 15 HA CYS 15 6.811 -5.337 -0.164 85 HB2 CYS 15 1HB CYS 15 5.968 -5.568 2.126 86 HB3 CYS 15 2HB CYS 15 6.764 -4.014 1.902 87 H HIS 16 H HIS 16 5.583 -7.310 0.493 88 HA HIS 16 HA HIS 16 3.247 -7.572 -1.209 89 HB2 HIS 16 1HB HIS 16 5.172 -9.248 -1.103 90 HB3 HIS 16 2HB HIS 16 4.513 -9.749 0.451 91 HD1 HIS 16 HD1 HIS 16 3.383 -11.912 0.068 92 HD2 HIS 16 HD2 HIS 16 2.602 -9.201 -2.982 93 HE1 HIS 16 HE1 HIS 16 1.746 -13.065 -1.454 94 H TYR 17 H TYR 17 2.537 -5.936 0.779 95 HA TYR 17 HA TYR 17 1.147 -7.577 2.778 96 HB2 TYR 17 1HB TYR 17 2.294 -5.926 3.944 97 HB3 TYR 17 2HB TYR 17 2.023 -4.713 2.698 98 HD1 TYR 17 HD1 TYR 17 0.237 -6.696 5.295 99 HD2 TYR 17 HD2 TYR 17 0.307 -3.153 2.940 100 HE1 TYR 17 HE1 TYR 17 -1.666 -5.812 6.579 101 HE2 TYR 17 HE2 TYR 17 -1.595 -2.259 4.219 102 HH TYR 17 HH TYR 17 -2.866 -3.936 7.038 103 H SER 18 H SER 18 -0.891 -8.074 2.364 104 HA SER 18 HA SER 18 -2.553 -6.119 0.916 105 HB2 SER 18 1HB SER 18 -2.089 -7.969 -0.584 106 HB3 SER 18 2HB SER 18 -2.574 -9.135 0.647 107 HG SER 18 HG SER 18 -4.207 -8.642 -0.960 108 H SER 19 H SER 19 -4.392 -5.549 1.890 109 HA SER 19 HA SER 19 -5.590 -7.316 3.886 110 HB2 SER 19 1HB SER 19 -4.519 -4.560 4.411 111 HB3 SER 19 2HB SER 19 -5.894 -5.166 5.333 112 HG SER 19 HG SER 19 -3.623 -5.553 6.131 113 H ILE 20 H ILE 20 -7.691 -6.166 4.738 114 HA ILE 20 HA ILE 20 -9.370 -5.804 2.476 115 HB ILE 20 HB ILE 20 -11.164 -5.373 4.093 116 HG12 ILE 20 1HG1 ILE 20 -9.065 -5.639 6.249 117 HG13 ILE 20 2HG1 ILE 20 -9.667 -4.085 5.681 118 HG21 ILE 20 1HG2 ILE 20 -10.084 -7.566 5.560 119 HG22 ILE 20 2HG2 ILE 20 -11.306 -7.577 4.289 120 HG23 ILE 20 3HG2 ILE 20 -9.598 -7.712 3.871 121 HD11 ILE 20 3HD1 ILE 20 -11.934 -5.608 6.276 122 HD12 ILE 20 1HD1 ILE 20 -10.799 -5.885 7.596 123 HD13 ILE 20 2HD1 ILE 20 -11.283 -4.241 7.179 124 H THR 21 H THR 21 -10.726 -3.953 2.034 125 HA THR 21 HA THR 21 -11.131 -1.741 1.659 126 HB THR 21 HB THR 21 -9.344 -1.136 4.018 127 HG1 THR 21 HG1 THR 21 -10.852 -1.985 5.220 128 HG21 THR 21 3HG2 THR 21 -10.156 0.976 3.957 129 HG22 THR 21 1HG2 THR 21 -11.754 0.460 3.418 130 HG23 THR 21 2HG2 THR 21 -10.432 0.596 2.257 131 H LYS 22 H LYS 22 -9.334 -2.792 0.017 132 HA LYS 22 HA LYS 22 -6.752 -1.909 -0.115 133 HB2 LYS 22 1HB LYS 22 -6.899 -2.114 -2.529 134 HB3 LYS 22 2HB LYS 22 -7.809 -3.412 -1.767 135 HG2 LYS 22 1HG LYS 22 -9.303 -2.800 -3.360 136 HG3 LYS 22 2HG LYS 22 -9.804 -1.703 -2.070 137 HD2 LYS 22 1HD LYS 22 -8.410 0.065 -3.049 138 HD3 LYS 22 2HD LYS 22 -7.937 -1.034 -4.347 139 HE2 LYS 22 1HE LYS 22 -10.753 -0.131 -3.750 140 HE3 LYS 22 2HE LYS 22 -9.727 0.505 -5.034 141 HZ1 LYS 22 3HZ LYS 22 -11.411 -1.700 -5.143 142 HZ2 LYS 22 1HZ LYS 22 -9.832 -2.305 -5.216 143 HZ3 LYS 22 2HZ LYS 22 -10.349 -1.152 -6.340 144 H ASN 23 H ASN 23 -9.670 -0.065 -0.665 145 HA ASN 23 HA ASN 23 -8.640 2.152 -1.989 146 HB2 ASN 23 1HB ASN 23 -10.538 3.406 -0.886 147 HB3 ASN 23 2HB ASN 23 -11.008 1.948 -1.755 148 HD21 ASN 23 1HD2 ASN 23 -11.585 0.095 -0.570 149 HD22 ASN 23 2HD2 ASN 23 -12.092 0.208 1.078 150 H CYS 24 H CYS 24 -8.821 1.488 1.489 151 HA CYS 24 HA CYS 24 -7.547 3.971 2.187 152 HB2 CYS 24 1HB CYS 24 -9.203 2.826 3.661 153 HB3 CYS 24 2HB CYS 24 -8.032 1.538 3.917 154 HG CYS 24 HG CYS 24 -8.140 4.628 5.240 155 H LEU 25 H LEU 25 -6.578 0.630 1.747 156 HA LEU 25 HA LEU 25 -4.177 0.421 2.964 157 HB2 LEU 25 1HB LEU 25 -4.867 -1.424 1.724 158 HB3 LEU 25 2HB LEU 25 -5.074 -0.476 0.253 159 HG LEU 25 HG LEU 25 -2.478 -0.225 0.387 160 HD11 LEU 25 1HD1 LEU 25 -1.439 -1.347 1.988 161 HD12 LEU 25 2HD1 LEU 25 -2.113 -2.855 1.370 162 HD13 LEU 25 3HD1 LEU 25 -2.986 -1.937 2.596 163 HD21 LEU 25 3HD2 LEU 25 -3.288 -2.984 -0.343 164 HD22 LEU 25 1HD2 LEU 25 -2.343 -1.801 -1.248 165 HD23 LEU 25 2HD2 LEU 25 -4.098 -1.648 -1.162 166 H LYS 26 H LYS 26 -4.759 2.092 -0.111 167 HA LYS 26 HA LYS 26 -2.336 2.767 -1.015 168 HB2 LYS 26 1HB LYS 26 -4.309 3.658 -2.059 169 HB3 LYS 26 2HB LYS 26 -4.688 4.623 -0.638 170 HG2 LYS 26 1HG LYS 26 -3.794 6.192 -2.060 171 HG3 LYS 26 2HG LYS 26 -2.387 5.734 -1.096 172 HD2 LYS 26 1HD LYS 26 -2.928 4.213 -3.594 173 HD3 LYS 26 2HD LYS 26 -2.293 5.853 -3.743 174 HE2 LYS 26 1HE LYS 26 -0.290 5.311 -2.774 175 HE3 LYS 26 2HE LYS 26 -0.983 4.003 -1.817 176 HZ1 LYS 26 3HZ LYS 26 -1.228 2.747 -3.933 177 HZ2 LYS 26 1HZ LYS 26 0.378 3.046 -3.493 178 HZ3 LYS 26 2HZ LYS 26 -0.349 3.962 -4.715 179 H ARG 27 H ARG 27 -3.855 4.185 1.843 180 HA ARG 27 HA ARG 27 -2.009 6.188 2.395 181 HB2 ARG 27 1HB ARG 27 -3.712 4.497 4.219 182 HB3 ARG 27 2HB ARG 27 -2.717 5.819 4.814 183 HG2 ARG 27 1HG ARG 27 -4.639 6.334 2.597 184 HG3 ARG 27 2HG ARG 27 -5.237 6.194 4.252 185 HD2 ARG 27 1HD ARG 27 -3.523 7.913 4.904 186 HD3 ARG 27 2HD ARG 27 -3.208 8.146 3.185 187 HE ARG 27 HE ARG 27 -5.891 8.480 3.390 188 HH11 ARG 27 1HH1 ARG 27 -3.153 9.880 5.023 189 HH12 ARG 27 2HH1 ARG 27 -3.937 11.399 5.311 190 HH21 ARG 27 1HH2 ARG 27 -6.933 10.475 3.763 191 HH22 ARG 27 2HH2 ARG 27 -6.086 11.736 4.594 192 H HIS 28 H HIS 28 -2.015 2.800 3.472 193 HA HIS 28 HA HIS 28 0.163 2.746 5.114 194 HB2 HIS 28 1HB HIS 28 -0.856 0.687 4.962 195 HB3 HIS 28 2HB HIS 28 -1.002 0.768 3.209 196 HD1 HIS 28 HD1 HIS 28 0.736 -1.043 5.683 197 HD2 HIS 28 HD2 HIS 28 1.819 0.606 2.027 198 HE1 HIS 28 HE1 HIS 28 2.828 -2.256 4.992 199 H VAL 29 H VAL 29 0.198 2.560 1.568 200 HA VAL 29 HA VAL 29 2.955 2.229 1.231 201 HB VAL 29 HB VAL 29 1.030 3.658 -0.608 202 HG11 VAL 29 1HG1 VAL 29 3.875 2.912 -0.829 203 HG12 VAL 29 2HG1 VAL 29 2.867 2.549 -2.231 204 HG13 VAL 29 3HG1 VAL 29 2.972 4.202 -1.624 205 HG21 VAL 29 3HG2 VAL 29 1.766 1.007 -1.427 206 HG22 VAL 29 1HG2 VAL 29 1.084 0.972 0.199 207 HG23 VAL 29 2HG2 VAL 29 0.163 1.678 -1.129 208 H ILE 30 H ILE 30 1.062 5.049 1.971 209 HA ILE 30 HA ILE 30 3.294 6.849 1.441 210 HB ILE 30 HB ILE 30 0.537 7.479 2.501 211 HG12 ILE 30 1HG1 ILE 30 1.549 8.059 -0.272 212 HG13 ILE 30 2HG1 ILE 30 0.794 6.516 0.114 213 HG21 ILE 30 1HG2 ILE 30 2.148 9.162 3.144 214 HG22 ILE 30 2HG2 ILE 30 2.740 9.269 1.487 215 HG23 ILE 30 3HG2 ILE 30 1.103 9.798 1.874 216 HD11 ILE 30 3HD1 ILE 30 -0.984 7.713 -0.684 217 HD12 ILE 30 1HD1 ILE 30 -1.120 8.017 1.047 218 HD13 ILE 30 2HD1 ILE 30 -0.405 9.235 -0.009 219 H GLN 31 H GLN 31 1.760 5.217 4.071 220 HA GLN 31 HA GLN 31 3.099 6.888 6.058 221 HB2 GLN 31 1HB GLN 31 1.206 4.560 6.427 222 HB3 GLN 31 2HB GLN 31 1.827 5.589 7.711 223 HG2 GLN 31 1HG GLN 31 0.348 6.820 5.437 224 HG3 GLN 31 2HG GLN 31 -0.544 5.994 6.713 225 HE21 GLN 31 1HE2 GLN 31 -0.064 6.698 8.941 226 HE22 GLN 31 2HE2 GLN 31 0.250 8.375 9.215 227 H LYS 32 H LYS 32 2.693 3.370 5.621 228 HA LYS 32 HA LYS 32 4.811 2.565 7.207 229 HB2 LYS 32 1HB LYS 32 3.351 1.338 4.912 230 HB3 LYS 32 2HB LYS 32 4.826 0.560 5.471 231 HG2 LYS 32 1HG LYS 32 2.465 1.202 7.224 232 HG3 LYS 32 2HG LYS 32 2.772 -0.368 6.480 233 HD2 LYS 32 1HD LYS 32 4.996 -0.372 7.656 234 HD3 LYS 32 2HD LYS 32 4.452 1.058 8.536 235 HE2 LYS 32 1HE LYS 32 2.895 -1.516 8.493 236 HE3 LYS 32 2HE LYS 32 4.144 -1.182 9.692 237 HZ1 LYS 32 3HZ LYS 32 1.505 0.047 9.367 238 HZ2 LYS 32 1HZ LYS 32 2.757 1.002 9.986 239 HZ3 LYS 32 2HZ LYS 32 2.309 -0.423 10.779 240 H HIS 33 H HIS 33 4.802 3.469 3.794 241 HA HIS 33 HA HIS 33 7.735 3.225 3.765 242 HB2 HIS 33 1HB HIS 33 5.844 3.419 1.411 243 HB3 HIS 33 2HB HIS 33 7.581 3.135 1.335 244 HD1 HIS 33 HD1 HIS 33 8.142 0.863 3.065 245 HD2 HIS 33 HD2 HIS 33 4.574 1.093 0.950 246 HE1 HIS 33 HE1 HIS 33 7.301 -1.502 2.907 247 H SER 34 H SER 34 5.204 5.281 2.310 248 HA SER 34 HA SER 34 5.044 7.549 2.104 249 HB2 SER 34 1HB SER 34 5.978 7.495 4.492 250 HB3 SER 34 2HB SER 34 7.547 7.840 3.763 251 HG SER 34 HG SER 34 5.639 9.555 4.374 252 H ASN 35 H ASN 35 6.199 6.138 0.084 253 HA ASN 35 HA ASN 35 7.686 6.202 -1.663 254 HB2 ASN 35 1HB ASN 35 7.960 8.620 -2.525 255 HB3 ASN 35 2HB ASN 35 6.332 7.955 -2.435 256 HD21 ASN 35 1HD2 ASN 35 8.377 10.462 -1.508 257 HD22 ASN 35 2HD2 ASN 35 7.317 11.251 -0.395 258 H ILE 36 H ILE 36 9.089 5.826 0.666 259 HA ILE 36 HA ILE 36 11.202 7.728 0.972 260 HB ILE 36 HB ILE 36 10.591 6.344 2.855 261 HG12 ILE 36 1HG1 ILE 36 12.966 5.133 3.095 262 HG13 ILE 36 2HG1 ILE 36 13.323 6.135 1.692 263 HG21 ILE 36 1HG2 ILE 36 11.719 3.827 2.044 264 HG22 ILE 36 2HG2 ILE 36 10.115 4.181 2.684 265 HG23 ILE 36 3HG2 ILE 36 10.419 4.302 0.951 266 HD11 ILE 36 3HD1 ILE 36 12.838 6.898 4.501 267 HD12 ILE 36 1HD1 ILE 36 13.943 7.582 3.308 268 HD13 ILE 36 2HD1 ILE 36 12.227 7.989 3.257 269 H LEU 37 H LEU 37 12.253 8.033 -0.964 270 HA LEU 37 HA LEU 37 13.091 5.961 -2.689 271 HB2 LEU 37 1HB LEU 37 14.038 8.798 -2.349 272 HB3 LEU 37 2HB LEU 37 14.626 7.724 -3.617 273 HG LEU 37 HG LEU 37 11.694 8.247 -3.371 274 HD11 LEU 37 1HD1 LEU 37 13.603 10.300 -3.716 275 HD12 LEU 37 2HD1 LEU 37 11.850 10.395 -3.885 276 HD13 LEU 37 3HD1 LEU 37 12.851 10.010 -5.285 277 HD21 LEU 37 3HD2 LEU 37 12.842 6.546 -4.931 278 HD22 LEU 37 1HD2 LEU 37 13.338 7.961 -5.860 279 HD23 LEU 37 2HD2 LEU 37 11.624 7.626 -5.611 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.235 -18.274 -0.590 2 HA2 GLY 1 1HA GLY 1 -0.735 -16.632 -2.023 3 HA3 GLY 1 2HA GLY 1 0.182 -17.829 -2.925 4 H SER 2 H SER 2 -1.531 -17.768 0.205 5 HA SER 2 HA SER 2 -2.336 -20.476 0.026 6 HB2 SER 2 1HB SER 2 -3.068 -18.168 1.793 7 HB3 SER 2 2HB SER 2 -4.026 -19.648 1.858 8 HG SER 2 HG SER 2 -2.001 -20.762 2.223 9 H SER 3 H SER 3 -4.827 -20.933 0.375 10 HA SER 3 HA SER 3 -6.188 -19.732 -1.939 11 HB2 SER 3 1HB SER 3 -7.464 -21.769 -2.120 12 HB3 SER 3 2HB SER 3 -5.762 -22.208 -1.971 13 HG SER 3 HG SER 3 -6.782 -22.054 0.472 14 H GLY 4 H GLY 4 -8.395 -19.166 -1.798 15 HA2 GLY 4 1HA GLY 4 -9.885 -19.363 0.620 16 HA3 GLY 4 2HA GLY 4 -9.173 -17.764 0.458 17 H SER 5 H SER 5 -11.024 -20.122 -1.470 18 HA SER 5 HA SER 5 -12.756 -19.867 -2.922 19 HB2 SER 5 1HB SER 5 -13.194 -17.379 -1.257 20 HB3 SER 5 2HB SER 5 -14.331 -17.963 -2.472 21 HG SER 5 HG SER 5 -13.950 -20.044 -1.073 22 H SER 6 H SER 6 -10.299 -19.117 -3.903 23 HA SER 6 HA SER 6 -9.199 -17.767 -5.404 24 HB2 SER 6 1HB SER 6 -10.331 -17.629 -7.501 25 HB3 SER 6 2HB SER 6 -10.909 -19.102 -6.723 26 HG SER 6 HG SER 6 -12.594 -17.414 -5.896 27 H GLY 7 H GLY 7 -9.967 -16.247 -3.221 28 HA2 GLY 7 1HA GLY 7 -11.319 -13.859 -4.132 29 HA3 GLY 7 2HA GLY 7 -10.611 -14.119 -2.545 30 H HIS 8 H HIS 8 -10.363 -12.343 -5.301 31 HA HIS 8 HA HIS 8 -7.480 -12.143 -5.404 32 HB2 HIS 8 1HB HIS 8 -8.762 -11.916 -7.469 33 HB3 HIS 8 2HB HIS 8 -9.636 -10.542 -6.799 34 HD1 HIS 8 HD1 HIS 8 -6.830 -11.322 -8.886 35 HD2 HIS 8 HD2 HIS 8 -7.739 -8.311 -6.171 36 HE1 HIS 8 HE1 HIS 8 -5.252 -9.438 -9.418 37 H LEU 9 H LEU 9 -6.483 -11.134 -3.783 38 HA LEU 9 HA LEU 9 -7.729 -8.742 -2.618 39 HB2 LEU 9 1HB LEU 9 -5.504 -10.485 -1.570 40 HB3 LEU 9 2HB LEU 9 -6.161 -9.070 -0.751 41 HG LEU 9 HG LEU 9 -7.754 -11.551 -1.384 42 HD11 LEU 9 1HD1 LEU 9 -6.961 -10.876 1.387 43 HD12 LEU 9 2HD1 LEU 9 -5.728 -11.580 0.341 44 HD13 LEU 9 3HD1 LEU 9 -7.236 -12.446 0.634 45 HD21 LEU 9 3HD2 LEU 9 -8.301 -9.062 0.213 46 HD22 LEU 9 1HD2 LEU 9 -9.235 -10.546 0.405 47 HD23 LEU 9 2HD2 LEU 9 -9.215 -9.712 -1.149 48 H TYR 10 H TYR 10 -6.147 -7.033 -1.892 49 HA TYR 10 HA TYR 10 -4.319 -6.477 -4.109 50 HB2 TYR 10 1HB TYR 10 -5.159 -4.559 -1.937 51 HB3 TYR 10 2HB TYR 10 -4.473 -4.177 -3.512 52 HD1 TYR 10 HD2 TYR 10 -5.913 -5.028 -5.567 53 HD2 TYR 10 HD1 TYR 10 -7.442 -4.345 -1.655 54 HE1 TYR 10 HE2 TYR 10 -8.177 -4.788 -6.499 55 HE2 TYR 10 HE1 TYR 10 -9.709 -4.104 -2.576 56 HH TYR 10 HH TYR 10 -10.442 -4.872 -5.876 57 H TYR 11 H TYR 11 -2.252 -6.955 -3.836 58 HA TYR 11 HA TYR 11 -1.130 -6.921 -1.118 59 HB2 TYR 11 1HB TYR 11 0.213 -8.182 -3.492 60 HB3 TYR 11 2HB TYR 11 0.421 -8.549 -1.783 61 HD1 TYR 11 HD1 TYR 11 -2.108 -8.723 -4.517 62 HD2 TYR 11 HD2 TYR 11 -0.706 -10.356 -0.847 63 HE1 TYR 11 HE1 TYR 11 -3.731 -10.560 -4.721 64 HE2 TYR 11 HE2 TYR 11 -2.324 -12.198 -1.042 65 HH TYR 11 HH TYR 11 -4.914 -12.189 -2.818 66 H CYS 12 H CYS 12 0.342 -5.446 -0.581 67 HA CYS 12 HA CYS 12 0.946 -3.226 -2.096 68 HB2 CYS 12 1HB CYS 12 1.299 -3.457 0.366 69 HB3 CYS 12 2HB CYS 12 2.729 -4.428 0.031 70 H SER 13 H SER 13 2.626 -2.590 -3.411 71 HA SER 13 HA SER 13 3.878 -4.651 -4.942 72 HB2 SER 13 1HB SER 13 3.809 -1.670 -5.015 73 HB3 SER 13 2HB SER 13 5.124 -2.484 -5.862 74 HG SER 13 HG SER 13 3.610 -3.592 -7.087 75 H GLN 14 H GLN 14 5.215 -2.016 -2.940 76 HA GLN 14 HA GLN 14 7.878 -2.843 -3.042 77 HB2 GLN 14 1HB GLN 14 6.440 -1.348 -0.844 78 HB3 GLN 14 2HB GLN 14 8.187 -1.470 -1.005 79 HG2 GLN 14 1HG GLN 14 8.091 -0.292 -3.128 80 HG3 GLN 14 2HG GLN 14 6.335 -0.200 -3.008 81 HE21 GLN 14 1HE2 GLN 14 9.205 1.370 -2.399 82 HE22 GLN 14 2HE2 GLN 14 8.624 2.585 -1.317 83 H CYS 15 H CYS 15 5.601 -3.291 -0.329 84 HA CYS 15 HA CYS 15 7.236 -5.560 0.569 85 HB2 CYS 15 1HB CYS 15 6.335 -5.243 2.744 86 HB3 CYS 15 2HB CYS 15 6.729 -3.636 2.143 87 H HIS 16 H HIS 16 5.781 -7.229 1.826 88 HA HIS 16 HA HIS 16 3.771 -8.126 -0.105 89 HB2 HIS 16 1HB HIS 16 5.396 -9.527 2.002 90 HB3 HIS 16 2HB HIS 16 3.966 -10.286 1.310 91 HD1 HIS 16 HD1 HIS 16 4.075 -10.332 -1.478 92 HD2 HIS 16 HD2 HIS 16 7.647 -10.102 0.630 93 HE1 HIS 16 HE1 HIS 16 5.854 -11.085 -3.087 94 H TYR 17 H TYR 17 2.828 -6.059 1.349 95 HA TYR 17 HA TYR 17 1.227 -7.227 3.514 96 HB2 TYR 17 1HB TYR 17 2.373 -5.244 4.207 97 HB3 TYR 17 2HB TYR 17 1.846 -4.365 2.776 98 HD1 TYR 17 HD2 TYR 17 -0.463 -3.559 2.593 99 HD2 TYR 17 HD1 TYR 17 0.914 -5.528 6.104 100 HE1 TYR 17 HE2 TYR 17 -2.420 -2.721 3.823 101 HE2 TYR 17 HE1 TYR 17 -1.041 -4.697 7.344 102 HH TYR 17 HH TYR 17 -3.663 -3.823 6.272 103 H SER 18 H SER 18 -0.650 -8.034 2.850 104 HA SER 18 HA SER 18 -2.164 -6.555 0.798 105 HB2 SER 18 1HB SER 18 -3.281 -8.749 0.317 106 HB3 SER 18 2HB SER 18 -1.554 -8.734 -0.042 107 HG SER 18 HG SER 18 -2.890 -9.926 2.145 108 H SER 19 H SER 19 -4.102 -5.774 1.334 109 HA SER 19 HA SER 19 -5.551 -6.909 3.604 110 HB2 SER 19 1HB SER 19 -4.448 -4.135 3.445 111 HB3 SER 19 2HB SER 19 -6.010 -4.377 4.228 112 HG SER 19 HG SER 19 -4.925 -5.997 5.532 113 H ILE 20 H ILE 20 -7.761 -5.787 3.802 114 HA ILE 20 HA ILE 20 -8.911 -5.699 1.122 115 HB ILE 20 HB ILE 20 -11.084 -5.893 2.243 116 HG12 ILE 20 1HG1 ILE 20 -9.633 -6.245 4.854 117 HG13 ILE 20 2HG1 ILE 20 -10.187 -4.657 4.335 118 HG21 ILE 20 1HG2 ILE 20 -10.684 -8.063 2.003 119 HG22 ILE 20 2HG2 ILE 20 -8.964 -7.826 2.308 120 HG23 ILE 20 3HG2 ILE 20 -10.071 -8.088 3.656 121 HD11 ILE 20 3HD1 ILE 20 -11.640 -6.695 5.645 122 HD12 ILE 20 1HD1 ILE 20 -12.195 -5.101 5.134 123 HD13 ILE 20 2HD1 ILE 20 -12.338 -6.477 4.040 124 H THR 21 H THR 21 -10.547 -4.093 0.593 125 HA THR 21 HA THR 21 -11.359 -1.968 0.419 126 HB THR 21 HB THR 21 -10.218 -1.450 3.168 127 HG1 THR 21 HG1 THR 21 -12.304 -3.030 2.364 128 HG21 THR 21 3HG2 THR 21 -11.304 0.319 1.405 129 HG22 THR 21 1HG2 THR 21 -11.343 0.503 3.158 130 HG23 THR 21 2HG2 THR 21 -12.729 -0.186 2.313 131 H LYS 22 H LYS 22 -9.161 -2.338 -0.959 132 HA LYS 22 HA LYS 22 -6.787 -1.194 -0.593 133 HB2 LYS 22 1HB LYS 22 -6.751 -0.521 -2.944 134 HB3 LYS 22 2HB LYS 22 -7.516 -2.093 -2.754 135 HG2 LYS 22 1HG LYS 22 -9.596 -1.303 -3.308 136 HG3 LYS 22 2HG LYS 22 -9.224 0.346 -2.801 137 HD2 LYS 22 1HD LYS 22 -9.235 0.546 -5.103 138 HD3 LYS 22 2HD LYS 22 -7.522 0.279 -4.771 139 HE2 LYS 22 1HE LYS 22 -7.552 -1.853 -5.621 140 HE3 LYS 22 2HE LYS 22 -9.265 -2.082 -5.276 141 HZ1 LYS 22 3HZ LYS 22 -9.825 -1.337 -7.281 142 HZ2 LYS 22 1HZ LYS 22 -8.196 -1.501 -7.706 143 HZ3 LYS 22 2HZ LYS 22 -8.788 -0.004 -7.188 144 H ASN 23 H ASN 23 -9.802 0.575 -0.878 145 HA ASN 23 HA ASN 23 -9.134 3.132 -1.342 146 HB2 ASN 23 1HB ASN 23 -10.868 2.308 0.997 147 HB3 ASN 23 2HB ASN 23 -10.933 3.838 0.127 148 HD21 ASN 23 1HD2 ASN 23 -12.475 3.994 -1.318 149 HD22 ASN 23 2HD2 ASN 23 -13.222 2.685 -2.161 150 H CYS 24 H CYS 24 -8.661 1.490 1.770 151 HA CYS 24 HA CYS 24 -7.313 3.792 2.890 152 HB2 CYS 24 1HB CYS 24 -8.807 2.188 4.193 153 HB3 CYS 24 2HB CYS 24 -7.482 1.034 4.101 154 HG CYS 24 HG CYS 24 -7.877 2.741 6.568 155 H LEU 25 H LEU 25 -6.475 0.611 1.640 156 HA LEU 25 HA LEU 25 -3.914 0.231 2.426 157 HB2 LEU 25 1HB LEU 25 -4.978 -1.330 0.969 158 HB3 LEU 25 2HB LEU 25 -5.093 -0.133 -0.319 159 HG LEU 25 HG LEU 25 -2.613 -0.174 -0.502 160 HD11 LEU 25 1HD1 LEU 25 -1.644 -0.924 1.401 161 HD12 LEU 25 2HD1 LEU 25 -1.742 -2.465 0.550 162 HD13 LEU 25 3HD1 LEU 25 -2.955 -2.049 1.760 163 HD21 LEU 25 3HD2 LEU 25 -3.055 -1.587 -2.153 164 HD22 LEU 25 1HD2 LEU 25 -4.503 -2.149 -1.319 165 HD23 LEU 25 2HD2 LEU 25 -2.951 -2.930 -1.014 166 H LYS 26 H LYS 26 -4.924 2.336 -0.255 167 HA LYS 26 HA LYS 26 -2.564 3.193 -1.267 168 HB2 LYS 26 1HB LYS 26 -3.636 5.335 -1.769 169 HB3 LYS 26 2HB LYS 26 -4.737 3.995 -2.060 170 HG2 LYS 26 1HG LYS 26 -6.146 5.393 -0.964 171 HG3 LYS 26 2HG LYS 26 -5.471 4.536 0.424 172 HD2 LYS 26 1HD LYS 26 -5.363 6.808 1.008 173 HD3 LYS 26 2HD LYS 26 -3.723 6.394 0.505 174 HE2 LYS 26 1HE LYS 26 -4.271 8.494 -0.481 175 HE3 LYS 26 2HE LYS 26 -4.287 7.285 -1.764 176 HZ1 LYS 26 3HZ LYS 26 -6.219 8.418 -2.171 177 HZ2 LYS 26 1HZ LYS 26 -6.536 8.722 -0.538 178 HZ3 LYS 26 2HZ LYS 26 -6.803 7.179 -1.178 179 H ARG 27 H ARG 27 -3.999 4.199 1.793 180 HA ARG 27 HA ARG 27 -2.133 6.240 2.383 181 HB2 ARG 27 1HB ARG 27 -4.432 5.725 3.468 182 HB3 ARG 27 2HB ARG 27 -3.527 4.621 4.493 183 HG2 ARG 27 1HG ARG 27 -3.476 6.477 5.799 184 HG3 ARG 27 2HG ARG 27 -2.013 6.753 4.852 185 HD2 ARG 27 1HD ARG 27 -3.117 8.295 3.431 186 HD3 ARG 27 2HD ARG 27 -4.703 7.836 4.051 187 HE ARG 27 HE ARG 27 -2.921 8.930 6.035 188 HH11 ARG 27 1HH1 ARG 27 -5.334 9.628 3.625 189 HH12 ARG 27 2HH1 ARG 27 -5.794 11.140 4.335 190 HH21 ARG 27 1HH2 ARG 27 -3.518 10.919 6.980 191 HH22 ARG 27 2HH2 ARG 27 -4.760 11.873 6.243 192 H HIS 28 H HIS 28 -2.358 2.871 3.526 193 HA HIS 28 HA HIS 28 -0.289 2.606 5.198 194 HB2 HIS 28 1HB HIS 28 -1.271 0.574 4.796 195 HB3 HIS 28 2HB HIS 28 -1.337 0.829 3.055 196 HD1 HIS 28 HD1 HIS 28 1.054 -0.230 5.773 197 HD2 HIS 28 HD2 HIS 28 0.753 -0.257 1.629 198 HE1 HIS 28 HE1 HIS 28 2.970 -1.646 4.968 199 H VAL 29 H VAL 29 0.093 2.544 1.657 200 HA VAL 29 HA VAL 29 2.872 2.301 1.592 201 HB VAL 29 HB VAL 29 1.127 3.757 -0.399 202 HG11 VAL 29 1HG1 VAL 29 2.867 3.461 -1.978 203 HG12 VAL 29 2HG1 VAL 29 3.622 4.127 -0.528 204 HG13 VAL 29 3HG1 VAL 29 3.771 2.407 -0.891 205 HG21 VAL 29 3HG2 VAL 29 0.639 1.754 -1.417 206 HG22 VAL 29 1HG2 VAL 29 2.056 0.945 -0.749 207 HG23 VAL 29 2HG2 VAL 29 0.658 1.266 0.277 208 H ILE 30 H ILE 30 0.825 5.171 1.810 209 HA ILE 30 HA ILE 30 2.872 7.086 1.496 210 HB ILE 30 HB ILE 30 0.269 7.356 3.006 211 HG12 ILE 30 1HG1 ILE 30 0.888 8.196 0.171 212 HG13 ILE 30 2HG1 ILE 30 0.129 6.660 0.574 213 HG21 ILE 30 1HG2 ILE 30 2.140 9.448 1.905 214 HG22 ILE 30 2HG2 ILE 30 0.548 9.767 2.591 215 HG23 ILE 30 3HG2 ILE 30 1.829 9.107 3.607 216 HD11 ILE 30 3HD1 ILE 30 -1.039 9.268 0.316 217 HD12 ILE 30 1HD1 ILE 30 -1.821 7.694 0.462 218 HD13 ILE 30 2HD1 ILE 30 -1.368 8.591 1.911 219 H GLN 31 H GLN 31 1.719 5.274 4.258 220 HA GLN 31 HA GLN 31 3.398 6.816 6.080 221 HB2 GLN 31 1HB GLN 31 1.173 4.868 6.390 222 HB3 GLN 31 2HB GLN 31 2.363 4.946 7.682 223 HG2 GLN 31 1HG GLN 31 0.285 6.389 7.909 224 HG3 GLN 31 2HG GLN 31 1.846 7.161 8.189 225 HE21 GLN 31 1HE2 GLN 31 -1.034 7.211 6.417 226 HE22 GLN 31 2HE2 GLN 31 -0.627 8.487 5.325 227 H LYS 32 H LYS 32 2.819 3.322 5.678 228 HA LYS 32 HA LYS 32 5.162 2.438 6.843 229 HB2 LYS 32 1HB LYS 32 3.244 1.290 4.880 230 HB3 LYS 32 2HB LYS 32 4.791 0.474 5.066 231 HG2 LYS 32 1HG LYS 32 3.057 1.137 7.421 232 HG3 LYS 32 2HG LYS 32 2.849 -0.346 6.488 233 HD2 LYS 32 1HD LYS 32 5.278 -0.831 6.904 234 HD3 LYS 32 2HD LYS 32 5.292 0.540 8.017 235 HE2 LYS 32 1HE LYS 32 4.922 -1.289 9.409 236 HE3 LYS 32 2HE LYS 32 3.306 -0.633 9.154 237 HZ1 LYS 32 3HZ LYS 32 4.105 -2.622 7.221 238 HZ2 LYS 32 1HZ LYS 32 2.652 -2.461 8.073 239 HZ3 LYS 32 2HZ LYS 32 3.982 -3.208 8.803 240 H HIS 33 H HIS 33 4.579 3.440 3.515 241 HA HIS 33 HA HIS 33 7.477 3.235 3.019 242 HB2 HIS 33 1HB HIS 33 5.250 3.043 0.980 243 HB3 HIS 33 2HB HIS 33 6.974 2.896 0.651 244 HD1 HIS 33 HD1 HIS 33 8.114 0.672 1.269 245 HD2 HIS 33 HD2 HIS 33 4.053 0.784 2.139 246 HE1 HIS 33 HE1 HIS 33 7.467 -1.707 1.765 247 H SER 34 H SER 34 8.089 4.749 1.090 248 HA SER 34 HA SER 34 6.878 7.382 1.627 249 HB2 SER 34 1HB SER 34 9.056 8.385 1.215 250 HB3 SER 34 2HB SER 34 9.211 7.141 2.455 251 HG SER 34 HG SER 34 10.012 5.737 0.855 252 H ASN 35 H ASN 35 6.400 8.719 -0.075 253 HA ASN 35 HA ASN 35 6.629 7.510 -2.751 254 HB2 ASN 35 1HB ASN 35 4.687 9.282 -3.156 255 HB3 ASN 35 2HB ASN 35 4.354 7.680 -2.507 256 HD21 ASN 35 1HD2 ASN 35 2.479 8.420 -1.504 257 HD22 ASN 35 2HD2 ASN 35 2.531 9.387 -0.073 258 H ILE 36 H ILE 36 6.391 10.710 -1.191 259 HA ILE 36 HA ILE 36 7.365 12.198 -3.348 260 HB ILE 36 HB ILE 36 7.606 12.819 -0.401 261 HG12 ILE 36 1HG1 ILE 36 5.557 13.907 -2.320 262 HG13 ILE 36 2HG1 ILE 36 5.286 12.403 -1.446 263 HG21 ILE 36 1HG2 ILE 36 8.452 14.834 -0.902 264 HG22 ILE 36 2HG2 ILE 36 8.905 14.084 -2.432 265 HG23 ILE 36 3HG2 ILE 36 7.418 15.025 -2.318 266 HD11 ILE 36 3HD1 ILE 36 5.910 13.903 0.626 267 HD12 ILE 36 1HD1 ILE 36 5.371 15.193 -0.448 268 HD13 ILE 36 2HD1 ILE 36 4.277 13.871 -0.038 269 H LEU 37 H LEU 37 9.207 11.539 -4.325 270 HA LEU 37 HA LEU 37 11.476 10.505 -3.027 271 HB2 LEU 37 1HB LEU 37 11.029 11.727 -5.730 272 HB3 LEU 37 2HB LEU 37 12.629 11.197 -5.214 273 HG LEU 37 HG LEU 37 10.216 9.394 -5.367 274 HD11 LEU 37 1HD1 LEU 37 11.503 8.470 -7.368 275 HD12 LEU 37 2HD1 LEU 37 12.374 10.003 -7.361 276 HD13 LEU 37 3HD1 LEU 37 10.626 9.984 -7.594 277 HD21 LEU 37 3HD2 LEU 37 11.679 8.383 -3.889 278 HD22 LEU 37 1HD2 LEU 37 13.108 9.008 -4.712 279 HD23 LEU 37 2HD2 LEU 37 12.178 7.696 -5.436
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