NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505057 | 2eoj | 10218 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 31.451 -6.283 7.191 2 HA2 GLY 1 1HA GLY 1 29.930 -7.433 5.834 3 HA3 GLY 1 2HA GLY 1 28.829 -7.541 7.199 4 H SER 2 H SER 2 29.692 -5.812 4.373 5 HA SER 2 HA SER 2 27.643 -3.776 4.954 6 HB2 SER 2 1HB SER 2 30.080 -3.696 3.175 7 HB3 SER 2 2HB SER 2 28.784 -2.507 3.052 8 HG SER 2 HG SER 2 29.204 -1.857 5.139 9 H SER 3 H SER 3 25.888 -5.044 4.299 10 HA SER 3 HA SER 3 25.695 -5.401 1.385 11 HB2 SER 3 1HB SER 3 24.375 -7.468 1.769 12 HB3 SER 3 2HB SER 3 26.032 -7.612 2.353 13 HG SER 3 HG SER 3 24.093 -8.263 3.750 14 H GLY 4 H GLY 4 24.817 -3.143 2.743 15 HA2 GLY 4 1HA GLY 4 22.960 -1.843 3.151 16 HA3 GLY 4 2HA GLY 4 22.282 -2.731 1.795 17 H SER 5 H SER 5 22.643 -2.715 5.303 18 HA SER 5 HA SER 5 20.694 -4.821 5.649 19 HB2 SER 5 1HB SER 5 21.117 -4.609 7.998 20 HB3 SER 5 2HB SER 5 22.673 -4.462 7.181 21 HG SER 5 HG SER 5 21.463 -2.712 8.801 22 H SER 6 H SER 6 19.623 -2.717 4.192 23 HA SER 6 HA SER 6 17.835 -1.376 6.105 24 HB2 SER 6 1HB SER 6 18.783 -0.651 3.347 25 HB3 SER 6 2HB SER 6 17.289 0.035 3.984 26 HG SER 6 HG SER 6 19.583 0.117 5.582 27 H GLY 7 H GLY 7 16.050 -2.555 6.402 28 HA2 GLY 7 1HA GLY 7 13.923 -3.297 5.778 29 HA3 GLY 7 2HA GLY 7 14.399 -3.171 4.091 30 H THR 8 H THR 8 15.071 -5.089 7.011 31 HA THR 8 HA THR 8 16.171 -7.299 5.643 32 HB THR 8 HB THR 8 15.803 -8.559 7.727 33 HG1 THR 8 HG1 THR 8 14.502 -7.816 9.277 34 HG21 THR 8 3HG2 THR 8 16.839 -5.748 8.096 35 HG22 THR 8 1HG2 THR 8 17.770 -7.164 7.611 36 HG23 THR 8 2HG2 THR 8 17.097 -7.067 9.238 37 H GLY 9 H GLY 9 14.924 -8.043 3.970 38 HA2 GLY 9 1HA GLY 9 13.421 -9.891 3.491 39 HA3 GLY 9 2HA GLY 9 12.365 -9.284 4.758 40 H GLU 10 H GLU 10 11.420 -9.870 2.216 41 HA GLU 10 HA GLU 10 10.581 -7.199 1.348 42 HB2 GLU 10 1HB GLU 10 10.711 -7.956 -1.032 43 HB3 GLU 10 2HB GLU 10 12.274 -7.776 -0.249 44 HG2 GLU 10 1HG GLU 10 10.852 -10.409 -0.515 45 HG3 GLU 10 2HG GLU 10 12.013 -9.803 -1.694 46 H ASN 11 H ASN 11 8.450 -7.031 0.967 47 HA ASN 11 HA ASN 11 6.880 -9.456 0.500 48 HB2 ASN 11 1HB ASN 11 6.208 -7.428 2.645 49 HB3 ASN 11 2HB ASN 11 5.238 -8.831 2.206 50 HD21 ASN 11 1HD2 ASN 11 8.238 -7.763 3.648 51 HD22 ASN 11 2HD2 ASN 11 8.563 -9.221 4.517 52 HA PRO 12 HA PRO 12 4.729 -6.952 -2.399 53 HB2 PRO 12 1HB PRO 12 2.310 -8.185 -2.418 54 HB3 PRO 12 2HB PRO 12 3.755 -8.891 -3.152 55 HG2 PRO 12 1HG PRO 12 2.513 -9.458 -0.488 56 HG3 PRO 12 2HG PRO 12 3.174 -10.594 -1.678 57 HD2 PRO 12 1HD PRO 12 4.552 -9.822 0.522 58 HD3 PRO 12 2HD PRO 12 5.350 -10.218 -1.014 59 H TYR 13 H TYR 13 3.714 -7.209 0.863 60 HA TYR 13 HA TYR 13 1.977 -4.853 0.520 61 HB2 TYR 13 1HB TYR 13 1.642 -6.869 2.734 62 HB3 TYR 13 2HB TYR 13 0.509 -5.631 2.206 63 HD1 TYR 13 HD2 TYR 13 0.145 -5.944 -0.569 64 HD2 TYR 13 HD1 TYR 13 0.842 -8.986 2.323 65 HE1 TYR 13 HE2 TYR 13 -0.966 -7.580 -2.030 66 HE2 TYR 13 HE1 TYR 13 -0.267 -10.631 0.869 67 HH TYR 13 HH TYR 13 -1.639 -10.849 -0.953 68 H GLU 14 H GLU 14 3.759 -3.473 0.903 69 HA GLU 14 HA GLU 14 4.605 -3.403 3.724 70 HB2 GLU 14 1HB GLU 14 6.487 -4.119 2.359 71 HB3 GLU 14 2HB GLU 14 6.265 -2.746 1.285 72 HG2 GLU 14 1HG GLU 14 6.963 -1.214 2.943 73 HG3 GLU 14 2HG GLU 14 6.885 -2.442 4.206 74 H CYS 15 H CYS 15 3.275 -1.830 4.467 75 HA CYS 15 HA CYS 15 2.369 0.411 3.103 76 HB2 CYS 15 1HB CYS 15 1.460 -0.392 5.266 77 HB3 CYS 15 2HB CYS 15 2.913 0.192 6.071 78 H CYS 16 H CYS 16 3.728 1.718 2.028 79 HA CYS 16 HA CYS 16 6.340 2.387 2.895 80 HB2 CYS 16 1HB CYS 16 5.331 2.469 0.514 81 HB3 CYS 16 2HB CYS 16 4.737 4.060 0.977 82 H GLU 17 H GLU 17 3.205 3.945 3.237 83 HA GLU 17 HA GLU 17 3.735 6.478 3.968 84 HB2 GLU 17 1HB GLU 17 1.892 4.557 5.398 85 HB3 GLU 17 2HB GLU 17 1.877 6.299 5.634 86 HG2 GLU 17 1HG GLU 17 1.588 5.210 2.880 87 HG3 GLU 17 2HG GLU 17 0.212 5.155 3.980 88 H CYS 18 H CYS 18 3.710 3.843 6.376 89 HA CYS 18 HA CYS 18 5.542 5.449 8.024 90 HB2 CYS 18 1HB CYS 18 4.778 4.061 9.915 91 HB3 CYS 18 2HB CYS 18 3.442 4.899 9.133 92 H GLY 19 H GLY 19 4.976 2.194 6.754 93 HA2 GLY 19 1HA GLY 19 6.960 1.041 5.862 94 HA3 GLY 19 2HA GLY 19 7.824 1.608 7.284 95 H LYS 20 H LYS 20 4.661 0.029 6.861 96 HA LYS 20 HA LYS 20 5.591 -2.082 8.695 97 HB2 LYS 20 1HB LYS 20 2.982 -0.610 8.560 98 HB3 LYS 20 2HB LYS 20 3.030 -2.249 9.196 99 HG2 LYS 20 1HG LYS 20 4.769 -1.480 10.819 100 HG3 LYS 20 2HG LYS 20 4.473 0.168 10.257 101 HD2 LYS 20 1HD LYS 20 3.064 0.074 12.069 102 HD3 LYS 20 2HD LYS 20 1.973 -0.442 10.780 103 HE2 LYS 20 1HE LYS 20 1.599 -2.009 12.455 104 HE3 LYS 20 2HE LYS 20 2.738 -2.826 11.386 105 HZ1 LYS 20 3HZ LYS 20 3.583 -3.190 13.503 106 HZ2 LYS 20 1HZ LYS 20 3.239 -1.621 14.034 107 HZ3 LYS 20 2HZ LYS 20 4.507 -1.886 12.947 108 H VAL 21 H VAL 21 5.501 -4.100 7.947 109 HA VAL 21 HA VAL 21 4.239 -4.570 5.355 110 HB VAL 21 HB VAL 21 6.040 -6.397 6.951 111 HG11 VAL 21 1HG1 VAL 21 5.110 -6.524 4.084 112 HG12 VAL 21 2HG1 VAL 21 6.292 -7.604 4.826 113 HG13 VAL 21 3HG1 VAL 21 4.620 -7.602 5.390 114 HG21 VAL 21 3HG2 VAL 21 6.928 -4.998 4.479 115 HG22 VAL 21 1HG2 VAL 21 6.895 -4.096 5.994 116 HG23 VAL 21 2HG2 VAL 21 7.871 -5.559 5.859 117 H PHE 22 H PHE 22 2.948 -6.478 4.989 118 HA PHE 22 HA PHE 22 1.653 -7.564 7.390 119 HB2 PHE 22 1HB PHE 22 0.261 -6.424 4.963 120 HB3 PHE 22 2HB PHE 22 -0.545 -7.416 6.174 121 HD1 PHE 22 HD2 PHE 22 1.664 -4.408 6.048 122 HD2 PHE 22 HD1 PHE 22 -1.722 -6.309 7.792 123 HE1 PHE 22 HE2 PHE 22 1.238 -2.399 7.403 124 HE2 PHE 22 HE1 PHE 22 -2.153 -4.302 9.150 125 HZ PHE 22 HZ PHE 22 -0.672 -2.344 8.957 126 H SER 23 H SER 23 0.023 -9.376 6.570 127 HA SER 23 HA SER 23 1.671 -11.193 4.976 128 HB2 SER 23 1HB SER 23 -0.767 -11.792 6.670 129 HB3 SER 23 2HB SER 23 0.294 -12.981 5.915 130 HG SER 23 HG SER 23 0.731 -12.533 8.177 131 H ARG 24 H ARG 24 -1.704 -10.097 5.214 132 HA ARG 24 HA ARG 24 -2.034 -10.808 2.374 133 HB2 ARG 24 1HB ARG 24 -4.145 -10.930 4.536 134 HB3 ARG 24 2HB ARG 24 -4.390 -11.305 2.835 135 HG2 ARG 24 1HG ARG 24 -2.915 -13.205 2.995 136 HG3 ARG 24 2HG ARG 24 -2.524 -12.796 4.667 137 HD2 ARG 24 1HD ARG 24 -4.124 -14.491 4.848 138 HD3 ARG 24 2HD ARG 24 -5.035 -13.004 5.109 139 HE ARG 24 HE ARG 24 -5.330 -13.401 2.468 140 HH11 ARG 24 1HH1 ARG 24 -5.746 -15.500 5.214 141 HH12 ARG 24 2HH1 ARG 24 -6.984 -16.452 4.464 142 HH21 ARG 24 1HH2 ARG 24 -6.959 -14.647 1.469 143 HH22 ARG 24 2HH2 ARG 24 -7.672 -15.967 2.333 144 H LYS 25 H LYS 25 -2.728 -9.236 1.058 145 HA LYS 25 HA LYS 25 -2.598 -6.607 1.477 146 HB2 LYS 25 1HB LYS 25 -3.206 -7.761 -0.681 147 HB3 LYS 25 2HB LYS 25 -4.871 -7.795 -0.117 148 HG2 LYS 25 1HG LYS 25 -4.769 -5.929 -1.503 149 HG3 LYS 25 2HG LYS 25 -4.652 -5.261 0.127 150 HD2 LYS 25 1HD LYS 25 -2.422 -4.727 -0.109 151 HD3 LYS 25 2HD LYS 25 -2.152 -5.952 -1.352 152 HE2 LYS 25 1HE LYS 25 -2.124 -4.077 -2.652 153 HE3 LYS 25 2HE LYS 25 -3.848 -4.441 -2.702 154 HZ1 LYS 25 3HZ LYS 25 -2.644 -2.102 -1.834 155 HZ2 LYS 25 1HZ LYS 25 -3.269 -2.845 -0.448 156 HZ3 LYS 25 2HZ LYS 25 -4.285 -2.504 -1.756 157 H ASP 26 H ASP 26 -5.588 -8.467 2.011 158 HA ASP 26 HA ASP 26 -7.366 -6.613 2.785 159 HB2 ASP 26 1HB ASP 26 -6.996 -8.962 4.610 160 HB3 ASP 26 2HB ASP 26 -8.488 -8.250 4.002 161 H GLN 27 H GLN 27 -5.155 -8.105 5.158 162 HA GLN 27 HA GLN 27 -5.707 -6.459 7.298 163 HB2 GLN 27 1HB GLN 27 -3.003 -7.610 6.593 164 HB3 GLN 27 2HB GLN 27 -3.525 -7.089 8.189 165 HG2 GLN 27 1HG GLN 27 -4.433 -9.466 6.609 166 HG3 GLN 27 2HG GLN 27 -3.701 -9.418 8.212 167 HE21 GLN 27 1HE2 GLN 27 -6.519 -9.840 6.584 168 HE22 GLN 27 2HE2 GLN 27 -7.642 -9.460 7.840 169 H LEU 28 H LEU 28 -3.497 -5.909 4.607 170 HA LEU 28 HA LEU 28 -2.280 -3.575 5.622 171 HB2 LEU 28 1HB LEU 28 -1.411 -4.943 3.746 172 HB3 LEU 28 2HB LEU 28 -2.725 -4.337 2.739 173 HG LEU 28 HG LEU 28 -1.669 -2.000 3.424 174 HD11 LEU 28 1HD1 LEU 28 0.038 -2.828 4.882 175 HD12 LEU 28 2HD1 LEU 28 0.810 -2.213 3.421 176 HD13 LEU 28 3HD1 LEU 28 0.616 -3.950 3.650 177 HD21 LEU 28 3HD2 LEU 28 -0.439 -2.040 1.331 178 HD22 LEU 28 1HD2 LEU 28 -1.987 -2.865 1.148 179 HD23 LEU 28 2HD2 LEU 28 -0.501 -3.803 1.305 180 H VAL 29 H VAL 29 -4.975 -4.004 3.335 181 HA VAL 29 HA VAL 29 -5.584 -1.422 2.717 182 HB VAL 29 HB VAL 29 -7.580 -3.594 3.373 183 HG11 VAL 29 1HG1 VAL 29 -8.102 -1.365 1.459 184 HG12 VAL 29 2HG1 VAL 29 -9.241 -2.350 2.378 185 HG13 VAL 29 3HG1 VAL 29 -8.310 -1.089 3.188 186 HG21 VAL 29 3HG2 VAL 29 -5.737 -3.937 1.571 187 HG22 VAL 29 1HG2 VAL 29 -7.413 -4.333 1.187 188 HG23 VAL 29 2HG2 VAL 29 -6.711 -2.818 0.618 189 H SER 30 H SER 30 -6.792 -3.185 5.568 190 HA SER 30 HA SER 30 -8.248 -1.079 6.688 191 HB2 SER 30 1HB SER 30 -8.063 -3.635 7.333 192 HB3 SER 30 2HB SER 30 -6.856 -3.037 8.471 193 HG SER 30 HG SER 30 -8.398 -1.780 9.438 194 H HIS 31 H HIS 31 -4.851 -1.674 6.584 195 HA HIS 31 HA HIS 31 -4.221 0.121 8.763 196 HB2 HIS 31 1HB HIS 31 -2.776 -1.801 8.360 197 HB3 HIS 31 2HB HIS 31 -2.445 -1.238 6.725 198 HD1 HIS 31 HD1 HIS 31 -1.986 0.040 10.282 199 HD2 HIS 31 HD2 HIS 31 -0.169 0.208 6.549 200 HE1 HIS 31 HE1 HIS 31 0.149 1.324 10.629 201 H GLN 32 H GLN 32 -3.809 0.116 5.228 202 HA GLN 32 HA GLN 32 -2.708 2.702 5.050 203 HB2 GLN 32 1HB GLN 32 -4.243 1.083 3.012 204 HB3 GLN 32 2HB GLN 32 -3.379 2.572 2.649 205 HG2 GLN 32 1HG GLN 32 -1.301 1.446 3.503 206 HG3 GLN 32 2HG GLN 32 -2.227 -0.053 3.547 207 HE21 GLN 32 1HE2 GLN 32 0.076 0.315 2.008 208 HE22 GLN 32 2HE2 GLN 32 -0.361 0.229 0.339 209 H LYS 33 H LYS 33 -5.908 1.618 5.597 210 HA LYS 33 HA LYS 33 -7.438 3.667 4.492 211 HB2 LYS 33 1HB LYS 33 -7.790 1.751 6.742 212 HB3 LYS 33 2HB LYS 33 -8.891 3.120 6.667 213 HG2 LYS 33 1HG LYS 33 -9.366 2.445 4.279 214 HG3 LYS 33 2HG LYS 33 -8.492 0.952 4.628 215 HD2 LYS 33 1HD LYS 33 -10.059 0.576 6.540 216 HD3 LYS 33 2HD LYS 33 -10.987 1.970 5.982 217 HE2 LYS 33 1HE LYS 33 -11.401 0.872 3.856 218 HE3 LYS 33 2HE LYS 33 -10.405 -0.498 4.346 219 HZ1 LYS 33 3HZ LYS 33 -12.670 -1.080 4.672 220 HZ2 LYS 33 1HZ LYS 33 -12.995 0.347 5.520 221 HZ3 LYS 33 2HZ LYS 33 -11.999 -0.836 6.206 222 H THR 34 H THR 34 -5.779 3.495 7.612 223 HA THR 34 HA THR 34 -6.618 6.214 8.260 224 HB THR 34 HB THR 34 -6.679 4.474 10.028 225 HG1 THR 34 HG1 THR 34 -5.190 6.835 10.219 226 HG21 THR 34 3HG2 THR 34 -3.705 4.459 9.552 227 HG22 THR 34 1HG2 THR 34 -4.820 3.093 9.523 228 HG23 THR 34 2HG2 THR 34 -4.433 3.883 11.052 229 H HIS 35 H HIS 35 -4.847 5.840 6.029 230 HA HIS 35 HA HIS 35 -2.508 7.316 7.036 231 HB2 HIS 35 1HB HIS 35 -2.615 4.935 5.256 232 HB3 HIS 35 2HB HIS 35 -1.429 6.178 4.870 233 HD1 HIS 35 HD1 HIS 35 0.117 6.858 7.082 234 HD2 HIS 35 HD2 HIS 35 -1.693 3.119 7.027 235 HE1 HIS 35 HE1 HIS 35 1.386 5.472 8.753 236 H SER 36 H SER 36 -1.436 8.628 5.322 237 HA SER 36 HA SER 36 -3.026 10.539 4.253 238 HB2 SER 36 1HB SER 36 -0.418 10.305 4.287 239 HB3 SER 36 2HB SER 36 -0.638 9.671 2.657 240 HG SER 36 HG SER 36 -0.401 11.832 2.405 241 H GLY 37 H GLY 37 -4.130 10.938 2.365 242 HA2 GLY 37 1HA GLY 37 -4.134 9.796 -0.053 243 HA3 GLY 37 2HA GLY 37 -4.963 8.570 0.896 244 H GLN 38 H GLN 38 -6.227 9.754 -1.228 245 HA GLN 38 HA GLN 38 -7.766 12.023 -0.570 246 HB2 GLN 38 1HB GLN 38 -9.225 11.302 -2.448 247 HB3 GLN 38 2HB GLN 38 -7.519 11.352 -2.872 248 HG2 GLN 38 1HG GLN 38 -7.469 8.868 -2.402 249 HG3 GLN 38 2HG GLN 38 -9.229 8.943 -2.346 250 HE21 GLN 38 1HE2 GLN 38 -10.323 8.818 -4.191 251 HE22 GLN 38 2HE2 GLN 38 -9.628 8.882 -5.772 252 H SER 39 H SER 39 -8.919 12.011 1.274 253 HA SER 39 HA SER 39 -11.295 10.455 1.423 254 HB2 SER 39 1HB SER 39 -9.412 8.872 2.221 255 HB3 SER 39 2HB SER 39 -9.370 9.882 3.666 256 HG SER 39 HG SER 39 -11.377 9.243 4.193 257 H GLY 40 H GLY 40 -12.679 11.930 2.133 258 HA2 GLY 40 1HA GLY 40 -12.395 13.183 4.668 259 HA3 GLY 40 2HA GLY 40 -12.048 14.325 3.378 260 HA PRO 41 HA PRO 41 -16.641 14.244 4.268 261 HB2 PRO 41 1HB PRO 41 -16.872 16.906 4.748 262 HB3 PRO 41 2HB PRO 41 -16.480 15.733 6.010 263 HG2 PRO 41 1HG PRO 41 -14.655 17.539 4.471 264 HG3 PRO 41 2HG PRO 41 -14.655 17.161 6.204 265 HD2 PRO 41 1HD PRO 41 -12.942 15.998 4.458 266 HD3 PRO 41 2HD PRO 41 -13.560 15.156 5.894 267 H SER 42 H SER 42 -16.931 13.789 2.047 268 HA SER 42 HA SER 42 -16.566 15.868 0.080 269 HB2 SER 42 1HB SER 42 -17.173 14.251 -1.536 270 HB3 SER 42 2HB SER 42 -16.283 13.348 -0.310 271 HG SER 42 HG SER 42 -18.107 12.188 -0.698 272 H SER 43 H SER 43 -18.509 16.133 -1.521 273 HA SER 43 HA SER 43 -20.714 17.158 0.084 274 HB2 SER 43 1HB SER 43 -19.693 17.658 -2.680 275 HB3 SER 43 2HB SER 43 -21.386 18.008 -2.333 276 HG SER 43 HG SER 43 -19.494 18.941 -0.517 277 H GLY 44 H GLY 44 -20.410 15.321 -2.966 278 HA2 GLY 44 1HA GLY 44 -21.562 13.387 -3.580 279 HA3 GLY 44 2HA GLY 44 -22.502 13.506 -2.100 Start of MODEL 2 1 H1 GLY 1 H GLY 1 28.235 -4.700 -8.120 2 HA2 GLY 1 1HA GLY 1 25.780 -3.786 -8.356 3 HA3 GLY 1 2HA GLY 1 25.413 -5.458 -7.959 4 H SER 2 H SER 2 24.662 -5.448 -5.940 5 HA SER 2 HA SER 2 25.901 -3.714 -3.943 6 HB2 SER 2 1HB SER 2 23.993 -4.257 -2.536 7 HB3 SER 2 2HB SER 2 23.422 -3.786 -4.136 8 HG SER 2 HG SER 2 23.909 -6.492 -3.701 9 H SER 3 H SER 3 26.694 -4.496 -1.956 10 HA SER 3 HA SER 3 27.378 -7.362 -1.949 11 HB2 SER 3 1HB SER 3 29.389 -6.142 -2.461 12 HB3 SER 3 2HB SER 3 29.097 -5.007 -1.144 13 HG SER 3 HG SER 3 30.549 -7.103 -0.979 14 H GLY 4 H GLY 4 27.031 -8.470 -0.100 15 HA2 GLY 4 1HA GLY 4 27.065 -8.370 2.387 16 HA3 GLY 4 2HA GLY 4 26.104 -6.907 2.232 17 H SER 5 H SER 5 24.239 -7.615 0.363 18 HA SER 5 HA SER 5 22.904 -9.962 1.537 19 HB2 SER 5 1HB SER 5 20.751 -8.736 1.377 20 HB3 SER 5 2HB SER 5 21.880 -7.971 2.495 21 HG SER 5 HG SER 5 21.054 -6.365 1.220 22 H SER 6 H SER 6 21.149 -10.829 0.156 23 HA SER 6 HA SER 6 21.807 -10.484 -2.697 24 HB2 SER 6 1HB SER 6 22.408 -12.710 -1.703 25 HB3 SER 6 2HB SER 6 20.694 -12.975 -1.386 26 HG SER 6 HG SER 6 21.865 -13.659 -3.524 27 H GLY 7 H GLY 7 19.177 -11.319 -0.450 28 HA2 GLY 7 1HA GLY 7 17.218 -9.676 -1.058 29 HA3 GLY 7 2HA GLY 7 17.212 -10.655 -2.517 30 H THR 8 H THR 8 17.214 -11.078 1.022 31 HA THR 8 HA THR 8 15.423 -13.384 0.660 32 HB THR 8 HB THR 8 17.094 -12.655 3.073 33 HG1 THR 8 HG1 THR 8 18.099 -13.513 0.998 34 HG21 THR 8 3HG2 THR 8 14.953 -13.929 3.490 35 HG22 THR 8 1HG2 THR 8 16.430 -14.736 4.015 36 HG23 THR 8 2HG2 THR 8 15.636 -15.235 2.521 37 H GLY 9 H GLY 9 13.343 -12.896 0.912 38 HA2 GLY 9 1HA GLY 9 11.649 -12.414 2.632 39 HA3 GLY 9 2HA GLY 9 12.620 -11.019 3.078 40 H GLU 10 H GLU 10 9.993 -12.080 1.298 41 HA GLU 10 HA GLU 10 10.053 -9.700 -0.433 42 HB2 GLU 10 1HB GLU 10 8.655 -12.352 -0.699 43 HB3 GLU 10 2HB GLU 10 8.157 -10.951 -1.636 44 HG2 GLU 10 1HG GLU 10 10.412 -10.799 -2.586 45 HG3 GLU 10 2HG GLU 10 10.881 -12.230 -1.671 46 H ASN 11 H ASN 11 8.968 -8.048 0.399 47 HA ASN 11 HA ASN 11 6.494 -8.603 1.900 48 HB2 ASN 11 1HB ASN 11 8.060 -6.042 2.118 49 HB3 ASN 11 2HB ASN 11 6.895 -6.720 3.252 50 HD21 ASN 11 1HD2 ASN 11 10.152 -6.468 2.389 51 HD22 ASN 11 2HD2 ASN 11 10.798 -7.574 3.549 52 HA PRO 12 HA PRO 12 5.167 -6.500 -1.985 53 HB2 PRO 12 1HB PRO 12 2.886 -7.950 -2.242 54 HB3 PRO 12 2HB PRO 12 4.450 -8.503 -2.851 55 HG2 PRO 12 1HG PRO 12 3.034 -9.242 -0.320 56 HG3 PRO 12 2HG PRO 12 3.903 -10.285 -1.461 57 HD2 PRO 12 1HD PRO 12 5.000 -9.440 0.866 58 HD3 PRO 12 2HD PRO 12 5.965 -9.725 -0.596 59 H TYR 13 H TYR 13 3.955 -6.862 1.179 60 HA TYR 13 HA TYR 13 1.916 -4.792 0.685 61 HB2 TYR 13 1HB TYR 13 1.898 -6.659 3.047 62 HB3 TYR 13 2HB TYR 13 0.577 -5.683 2.414 63 HD1 TYR 13 HD2 TYR 13 0.510 -6.305 -0.402 64 HD2 TYR 13 HD1 TYR 13 1.291 -8.885 2.891 65 HE1 TYR 13 HE2 TYR 13 -0.279 -8.223 -1.725 66 HE2 TYR 13 HE1 TYR 13 0.506 -10.810 1.576 67 HH TYR 13 HH TYR 13 -0.917 -11.274 -0.339 68 H GLU 14 H GLU 14 4.426 -3.881 0.968 69 HA GLU 14 HA GLU 14 4.846 -3.192 3.774 70 HB2 GLU 14 1HB GLU 14 6.713 -3.911 2.166 71 HB3 GLU 14 2HB GLU 14 6.552 -2.312 1.455 72 HG2 GLU 14 1HG GLU 14 7.288 -1.244 3.394 73 HG3 GLU 14 2HG GLU 14 7.015 -2.672 4.391 74 H CYS 15 H CYS 15 3.559 -1.589 4.446 75 HA CYS 15 HA CYS 15 2.369 0.390 2.921 76 HB2 CYS 15 1HB CYS 15 1.711 -0.134 5.233 77 HB3 CYS 15 2HB CYS 15 3.217 0.563 5.821 78 H CYS 16 H CYS 16 3.409 1.736 1.599 79 HA CYS 16 HA CYS 16 6.042 2.745 2.234 80 HB2 CYS 16 1HB CYS 16 5.313 2.081 -0.086 81 HB3 CYS 16 2HB CYS 16 4.275 3.502 -0.097 82 H GLU 17 H GLU 17 4.170 3.555 4.129 83 HA GLU 17 HA GLU 17 4.120 6.457 3.646 84 HB2 GLU 17 1HB GLU 17 1.973 4.833 5.024 85 HB3 GLU 17 2HB GLU 17 2.007 6.588 4.922 86 HG2 GLU 17 1HG GLU 17 1.969 6.344 2.426 87 HG3 GLU 17 2HG GLU 17 1.670 4.625 2.673 88 H CYS 18 H CYS 18 4.085 3.868 6.066 89 HA CYS 18 HA CYS 18 5.509 5.683 7.901 90 HB2 CYS 18 1HB CYS 18 4.466 4.505 9.777 91 HB3 CYS 18 2HB CYS 18 3.242 5.197 8.718 92 H GLY 19 H GLY 19 5.034 2.301 6.929 93 HA2 GLY 19 1HA GLY 19 7.152 1.112 6.375 94 HA3 GLY 19 2HA GLY 19 7.776 1.754 7.887 95 H LYS 20 H LYS 20 4.761 0.101 6.945 96 HA LYS 20 HA LYS 20 5.340 -1.916 9.011 97 HB2 LYS 20 1HB LYS 20 2.854 -0.326 8.539 98 HB3 LYS 20 2HB LYS 20 2.703 -1.974 9.134 99 HG2 LYS 20 1HG LYS 20 4.125 -1.412 11.044 100 HG3 LYS 20 2HG LYS 20 4.257 0.246 10.450 101 HD2 LYS 20 1HD LYS 20 1.643 0.159 10.503 102 HD3 LYS 20 2HD LYS 20 1.907 -1.168 11.637 103 HE2 LYS 20 1HE LYS 20 2.814 0.197 13.234 104 HE3 LYS 20 2HE LYS 20 3.417 1.359 12.054 105 HZ1 LYS 20 3HZ LYS 20 1.342 1.867 13.573 106 HZ2 LYS 20 1HZ LYS 20 0.521 1.083 12.319 107 HZ3 LYS 20 2HZ LYS 20 1.450 2.458 11.992 108 H VAL 21 H VAL 21 5.237 -3.965 8.341 109 HA VAL 21 HA VAL 21 4.288 -4.481 5.621 110 HB VAL 21 HB VAL 21 5.829 -6.328 7.448 111 HG11 VAL 21 1HG1 VAL 21 4.747 -7.618 5.800 112 HG12 VAL 21 2HG1 VAL 21 5.090 -6.436 4.536 113 HG13 VAL 21 3HG1 VAL 21 6.398 -7.401 5.220 114 HG21 VAL 21 3HG2 VAL 21 6.686 -4.078 5.777 115 HG22 VAL 21 1HG2 VAL 21 7.514 -4.885 7.109 116 HG23 VAL 21 2HG2 VAL 21 7.568 -5.578 5.489 117 H PHE 22 H PHE 22 3.090 -6.489 5.202 118 HA PHE 22 HA PHE 22 1.489 -7.443 7.461 119 HB2 PHE 22 1HB PHE 22 0.371 -6.343 4.877 120 HB3 PHE 22 2HB PHE 22 -0.571 -7.278 6.034 121 HD1 PHE 22 HD2 PHE 22 1.210 -4.110 5.477 122 HD2 PHE 22 HD1 PHE 22 -1.373 -6.307 8.050 123 HE1 PHE 22 HE2 PHE 22 0.701 -2.049 6.721 124 HE2 PHE 22 HE1 PHE 22 -1.886 -4.249 9.297 125 HZ PHE 22 HZ PHE 22 -0.848 -2.117 8.634 126 H SER 23 H SER 23 0.317 -9.439 6.987 127 HA SER 23 HA SER 23 1.930 -11.184 5.323 128 HB2 SER 23 1HB SER 23 -0.107 -11.567 7.471 129 HB3 SER 23 2HB SER 23 0.141 -12.881 6.321 130 HG SER 23 HG SER 23 2.023 -13.280 7.185 131 H ARG 24 H ARG 24 -1.368 -9.955 5.458 132 HA ARG 24 HA ARG 24 -1.797 -11.026 2.749 133 HB2 ARG 24 1HB ARG 24 -3.864 -10.814 4.947 134 HB3 ARG 24 2HB ARG 24 -4.169 -11.354 3.301 135 HG2 ARG 24 1HG ARG 24 -2.884 -13.323 3.616 136 HG3 ARG 24 2HG ARG 24 -2.249 -12.736 5.155 137 HD2 ARG 24 1HD ARG 24 -4.659 -12.706 5.960 138 HD3 ARG 24 2HD ARG 24 -5.046 -13.629 4.509 139 HE ARG 24 HE ARG 24 -4.245 -15.474 5.570 140 HH11 ARG 24 1HH1 ARG 24 -2.768 -12.664 6.998 141 HH12 ARG 24 2HH1 ARG 24 -1.909 -13.566 8.202 142 HH21 ARG 24 1HH2 ARG 24 -3.119 -16.673 7.150 143 HH22 ARG 24 2HH2 ARG 24 -2.109 -15.847 8.287 144 H LYS 25 H LYS 25 -2.269 -9.532 1.279 145 HA LYS 25 HA LYS 25 -2.115 -6.874 1.489 146 HB2 LYS 25 1HB LYS 25 -2.459 -7.991 -0.648 147 HB3 LYS 25 2HB LYS 25 -4.124 -8.356 -0.217 148 HG2 LYS 25 1HG LYS 25 -4.390 -6.530 -1.577 149 HG3 LYS 25 2HG LYS 25 -4.342 -5.772 0.017 150 HD2 LYS 25 1HD LYS 25 -2.046 -5.150 -0.280 151 HD3 LYS 25 2HD LYS 25 -1.935 -6.084 -1.773 152 HE2 LYS 25 1HE LYS 25 -2.155 -3.754 -2.324 153 HE3 LYS 25 2HE LYS 25 -3.639 -4.591 -2.777 154 HZ1 LYS 25 3HZ LYS 25 -3.261 -2.459 -0.918 155 HZ2 LYS 25 1HZ LYS 25 -4.072 -3.763 -0.208 156 HZ3 LYS 25 2HZ LYS 25 -4.692 -3.043 -1.607 157 H ASP 26 H ASP 26 -5.152 -8.669 1.956 158 HA ASP 26 HA ASP 26 -6.957 -6.714 2.401 159 HB2 ASP 26 1HB ASP 26 -7.357 -9.182 2.620 160 HB3 ASP 26 2HB ASP 26 -6.667 -9.097 4.238 161 H GLN 27 H GLN 27 -4.816 -7.999 4.948 162 HA GLN 27 HA GLN 27 -5.562 -6.279 6.989 163 HB2 GLN 27 1HB GLN 27 -2.788 -7.367 6.487 164 HB3 GLN 27 2HB GLN 27 -3.418 -6.794 8.025 165 HG2 GLN 27 1HG GLN 27 -5.015 -8.606 8.086 166 HG3 GLN 27 2HG GLN 27 -4.486 -9.156 6.497 167 HE21 GLN 27 1HE2 GLN 27 -4.419 -10.170 9.427 168 HE22 GLN 27 2HE2 GLN 27 -2.822 -10.812 9.571 169 H LEU 28 H LEU 28 -3.354 -5.760 4.314 170 HA LEU 28 HA LEU 28 -2.217 -3.347 5.283 171 HB2 LEU 28 1HB LEU 28 -1.213 -4.769 3.524 172 HB3 LEU 28 2HB LEU 28 -2.507 -4.282 2.432 173 HG LEU 28 HG LEU 28 -1.572 -1.863 3.040 174 HD11 LEU 28 1HD1 LEU 28 0.980 -2.129 2.980 175 HD12 LEU 28 2HD1 LEU 28 0.683 -3.760 3.579 176 HD13 LEU 28 3HD1 LEU 28 0.153 -2.366 4.520 177 HD21 LEU 28 3HD2 LEU 28 -1.762 -3.128 0.813 178 HD22 LEU 28 1HD2 LEU 28 -0.061 -3.528 1.057 179 HD23 LEU 28 2HD2 LEU 28 -0.561 -1.841 0.939 180 H VAL 29 H VAL 29 -4.857 -4.025 3.004 181 HA VAL 29 HA VAL 29 -5.495 -1.436 2.263 182 HB VAL 29 HB VAL 29 -7.416 -3.725 2.715 183 HG11 VAL 29 1HG1 VAL 29 -8.248 -1.253 2.452 184 HG12 VAL 29 2HG1 VAL 29 -7.877 -1.531 0.750 185 HG13 VAL 29 3HG1 VAL 29 -9.040 -2.565 1.580 186 HG21 VAL 29 3HG2 VAL 29 -5.752 -4.428 1.173 187 HG22 VAL 29 1HG2 VAL 29 -7.167 -3.979 0.221 188 HG23 VAL 29 2HG2 VAL 29 -5.790 -2.883 0.324 189 H SER 30 H SER 30 -6.693 -3.290 5.047 190 HA SER 30 HA SER 30 -8.448 -1.335 6.034 191 HB2 SER 30 1HB SER 30 -6.929 -3.404 7.639 192 HB3 SER 30 2HB SER 30 -8.416 -2.587 8.118 193 HG SER 30 HG SER 30 -9.246 -4.341 7.252 194 H HIS 31 H HIS 31 -5.043 -1.990 6.779 195 HA HIS 31 HA HIS 31 -4.739 -0.038 8.776 196 HB2 HIS 31 1HB HIS 31 -3.045 -1.680 8.625 197 HB3 HIS 31 2HB HIS 31 -2.788 -1.376 6.910 198 HD1 HIS 31 HD1 HIS 31 -2.481 0.658 10.121 199 HD2 HIS 31 HD2 HIS 31 -0.543 0.054 6.496 200 HE1 HIS 31 HE1 HIS 31 -0.431 2.112 10.204 201 H GLN 32 H GLN 32 -3.647 0.114 5.379 202 HA GLN 32 HA GLN 32 -2.730 2.604 5.128 203 HB2 GLN 32 1HB GLN 32 -4.639 1.168 3.290 204 HB3 GLN 32 2HB GLN 32 -3.899 2.705 2.861 205 HG2 GLN 32 1HG GLN 32 -1.711 1.752 2.941 206 HG3 GLN 32 2HG GLN 32 -2.340 0.243 3.600 207 HE21 GLN 32 1HE2 GLN 32 -0.755 0.478 1.276 208 HE22 GLN 32 2HE2 GLN 32 -1.701 -0.053 -0.068 209 H LYS 33 H LYS 33 -6.175 1.797 5.311 210 HA LYS 33 HA LYS 33 -7.409 4.151 4.821 211 HB2 LYS 33 1HB LYS 33 -7.985 2.245 7.094 212 HB3 LYS 33 2HB LYS 33 -9.078 3.522 6.578 213 HG2 LYS 33 1HG LYS 33 -9.469 2.488 4.498 214 HG3 LYS 33 2HG LYS 33 -8.115 1.376 4.712 215 HD2 LYS 33 1HD LYS 33 -9.333 0.404 6.670 216 HD3 LYS 33 2HD LYS 33 -10.718 1.408 6.234 217 HE2 LYS 33 1HE LYS 33 -9.428 -0.530 4.326 218 HE3 LYS 33 2HE LYS 33 -10.757 -0.978 5.393 219 HZ1 LYS 33 3HZ LYS 33 -12.144 0.667 4.353 220 HZ2 LYS 33 1HZ LYS 33 -11.497 -0.339 3.156 221 HZ3 LYS 33 2HZ LYS 33 -10.864 1.212 3.391 222 H THR 34 H THR 34 -5.957 3.260 7.946 223 HA THR 34 HA THR 34 -6.531 5.444 9.465 224 HB THR 34 HB THR 34 -4.433 5.088 10.678 225 HG1 THR 34 HG1 THR 34 -3.672 3.072 8.873 226 HG21 THR 34 3HG2 THR 34 -4.707 2.384 10.623 227 HG22 THR 34 1HG2 THR 34 -6.240 2.896 9.919 228 HG23 THR 34 2HG2 THR 34 -5.766 3.474 11.517 229 H HIS 35 H HIS 35 -3.899 5.182 7.097 230 HA HIS 35 HA HIS 35 -2.919 7.820 7.545 231 HB2 HIS 35 1HB HIS 35 -2.519 5.947 5.203 232 HB3 HIS 35 2HB HIS 35 -1.618 7.437 5.466 233 HD1 HIS 35 HD1 HIS 35 -0.250 7.450 7.858 234 HD2 HIS 35 HD2 HIS 35 -1.340 3.764 6.284 235 HE1 HIS 35 HE1 HIS 35 1.226 5.767 9.004 236 H SER 36 H SER 36 -3.961 9.618 7.033 237 HA SER 36 HA SER 36 -5.897 9.581 4.834 238 HB2 SER 36 1HB SER 36 -6.574 10.420 7.113 239 HB3 SER 36 2HB SER 36 -5.458 11.766 6.880 240 HG SER 36 HG SER 36 -7.634 12.255 6.267 241 H GLY 37 H GLY 37 -4.369 9.654 3.126 242 HA2 GLY 37 1HA GLY 37 -2.943 12.231 2.890 243 HA3 GLY 37 2HA GLY 37 -2.398 10.734 2.148 244 H GLN 38 H GLN 38 -3.359 10.011 0.249 245 HA GLN 38 HA GLN 38 -4.788 12.091 -1.221 246 HB2 GLN 38 1HB GLN 38 -2.705 10.895 -2.106 247 HB3 GLN 38 2HB GLN 38 -3.748 9.500 -2.350 248 HG2 GLN 38 1HG GLN 38 -5.218 10.982 -3.752 249 HG3 GLN 38 2HG GLN 38 -3.943 12.196 -3.658 250 HE21 GLN 38 1HE2 GLN 38 -5.030 10.759 -5.965 251 HE22 GLN 38 2HE2 GLN 38 -3.684 9.973 -6.709 252 H SER 39 H SER 39 -6.889 11.920 -0.502 253 HA SER 39 HA SER 39 -8.401 9.709 -1.599 254 HB2 SER 39 1HB SER 39 -9.481 9.069 0.467 255 HB3 SER 39 2HB SER 39 -7.736 8.940 0.690 256 HG SER 39 HG SER 39 -8.231 10.093 2.408 257 H GLY 40 H GLY 40 -10.437 10.295 -2.181 258 HA2 GLY 40 1HA GLY 40 -11.249 13.046 -1.472 259 HA3 GLY 40 2HA GLY 40 -11.590 12.290 -3.021 260 HA PRO 41 HA PRO 41 -14.492 10.313 0.346 261 HB2 PRO 41 1HB PRO 41 -14.854 11.843 2.559 262 HB3 PRO 41 2HB PRO 41 -13.606 10.597 2.447 263 HG2 PRO 41 1HG PRO 41 -13.362 13.559 2.087 264 HG3 PRO 41 2HG PRO 41 -12.289 12.445 2.954 265 HD2 PRO 41 1HD PRO 41 -11.743 13.350 0.461 266 HD3 PRO 41 2HD PRO 41 -11.254 11.738 1.019 267 H SER 42 H SER 42 -15.960 10.907 -1.290 268 HA SER 42 HA SER 42 -17.261 13.515 -1.065 269 HB2 SER 42 1HB SER 42 -16.622 12.838 -3.311 270 HB3 SER 42 2HB SER 42 -17.517 11.328 -3.144 271 HG SER 42 HG SER 42 -19.383 12.835 -2.739 272 H SER 43 H SER 43 -18.732 13.522 0.531 273 HA SER 43 HA SER 43 -20.934 11.606 0.341 274 HB2 SER 43 1HB SER 43 -20.923 11.099 2.687 275 HB3 SER 43 2HB SER 43 -19.291 10.808 2.084 276 HG SER 43 HG SER 43 -19.074 13.192 2.796 277 H GLY 44 H GLY 44 -22.751 12.302 1.906 278 HA2 GLY 44 1HA GLY 44 -22.950 14.944 2.830 279 HA3 GLY 44 2HA GLY 44 -23.575 14.893 1.189 Start of MODEL 3 1 H1 GLY 1 H GLY 1 30.581 -12.950 -12.051 2 HA2 GLY 1 1HA GLY 1 30.855 -14.667 -10.344 3 HA3 GLY 1 2HA GLY 1 30.441 -13.451 -9.145 4 H SER 2 H SER 2 28.951 -15.300 -8.560 5 HA SER 2 HA SER 2 26.357 -14.789 -9.810 6 HB2 SER 2 1HB SER 2 27.048 -16.790 -10.940 7 HB3 SER 2 2HB SER 2 27.580 -17.528 -9.429 8 HG SER 2 HG SER 2 24.902 -16.726 -9.754 9 H SER 3 H SER 3 25.062 -14.135 -8.239 10 HA SER 3 HA SER 3 24.823 -15.663 -5.797 11 HB2 SER 3 1HB SER 3 25.108 -13.600 -4.362 12 HB3 SER 3 2HB SER 3 26.594 -14.213 -5.088 13 HG SER 3 HG SER 3 25.029 -12.132 -6.210 14 H GLY 4 H GLY 4 22.875 -15.309 -4.707 15 HA2 GLY 4 1HA GLY 4 20.875 -13.887 -6.316 16 HA3 GLY 4 2HA GLY 4 20.539 -15.124 -5.115 17 H SER 5 H SER 5 20.082 -14.534 -3.062 18 HA SER 5 HA SER 5 20.785 -11.933 -2.042 19 HB2 SER 5 1HB SER 5 18.595 -11.038 -1.786 20 HB3 SER 5 2HB SER 5 18.700 -11.576 -3.462 21 HG SER 5 HG SER 5 17.025 -12.753 -3.037 22 H SER 6 H SER 6 19.723 -11.621 0.191 23 HA SER 6 HA SER 6 20.375 -13.891 1.768 24 HB2 SER 6 1HB SER 6 19.529 -12.475 3.670 25 HB3 SER 6 2HB SER 6 20.767 -11.701 2.681 26 HG SER 6 HG SER 6 19.346 -10.286 1.986 27 H GLY 7 H GLY 7 17.317 -12.346 0.865 28 HA2 GLY 7 1HA GLY 7 15.194 -13.237 0.753 29 HA3 GLY 7 2HA GLY 7 15.893 -14.812 1.100 30 H THR 8 H THR 8 15.936 -11.825 3.017 31 HA THR 8 HA THR 8 15.612 -12.971 5.488 32 HB THR 8 HB THR 8 14.445 -10.308 4.655 33 HG1 THR 8 HG1 THR 8 16.988 -10.713 5.836 34 HG21 THR 8 3HG2 THR 8 15.460 -11.165 7.361 35 HG22 THR 8 1HG2 THR 8 13.761 -11.241 6.895 36 HG23 THR 8 2HG2 THR 8 14.591 -9.686 6.951 37 H GLY 9 H GLY 9 13.048 -11.853 3.293 38 HA2 GLY 9 1HA GLY 9 11.233 -13.856 4.169 39 HA3 GLY 9 2HA GLY 9 10.843 -12.311 4.910 40 H GLU 10 H GLU 10 8.846 -13.074 3.542 41 HA GLU 10 HA GLU 10 9.089 -11.872 0.862 42 HB2 GLU 10 1HB GLU 10 7.155 -13.980 1.839 43 HB3 GLU 10 2HB GLU 10 7.106 -13.237 0.247 44 HG2 GLU 10 1HG GLU 10 8.994 -14.330 -0.475 45 HG3 GLU 10 2HG GLU 10 9.608 -14.572 1.159 46 H ASN 11 H ASN 11 8.639 -9.764 1.470 47 HA ASN 11 HA ASN 11 5.980 -9.292 2.643 48 HB2 ASN 11 1HB ASN 11 6.995 -6.933 3.037 49 HB3 ASN 11 2HB ASN 11 7.494 -8.257 4.087 50 HD21 ASN 11 1HD2 ASN 11 9.580 -8.401 4.427 51 HD22 ASN 11 2HD2 ASN 11 10.830 -7.846 3.371 52 HA PRO 12 HA PRO 12 5.588 -8.003 -1.768 53 HB2 PRO 12 1HB PRO 12 3.025 -8.864 -2.014 54 HB3 PRO 12 2HB PRO 12 4.421 -9.923 -2.249 55 HG2 PRO 12 1HG PRO 12 2.662 -9.612 0.154 56 HG3 PRO 12 2HG PRO 12 3.299 -11.094 -0.582 57 HD2 PRO 12 1HD PRO 12 4.399 -9.973 1.624 58 HD3 PRO 12 2HD PRO 12 5.361 -10.854 0.420 59 H TYR 13 H TYR 13 3.985 -7.283 1.177 60 HA TYR 13 HA TYR 13 2.877 -4.835 -0.026 61 HB2 TYR 13 1HB TYR 13 1.606 -6.359 2.252 62 HB3 TYR 13 2HB TYR 13 0.952 -4.955 1.417 63 HD1 TYR 13 HD2 TYR 13 0.067 -5.174 -0.872 64 HD2 TYR 13 HD1 TYR 13 1.414 -8.562 1.320 65 HE1 TYR 13 HE2 TYR 13 -1.107 -6.653 -2.448 66 HE2 TYR 13 HE1 TYR 13 0.245 -10.051 -0.250 67 HH TYR 13 HH TYR 13 -1.884 -8.795 -2.733 68 H GLU 14 H GLU 14 4.235 -3.292 0.646 69 HA GLU 14 HA GLU 14 4.754 -3.101 3.537 70 HB2 GLU 14 1HB GLU 14 6.851 -3.759 2.751 71 HB3 GLU 14 2HB GLU 14 6.683 -2.851 1.255 72 HG2 GLU 14 1HG GLU 14 6.878 -0.756 2.553 73 HG3 GLU 14 2HG GLU 14 7.166 -1.720 4.001 74 H CYS 15 H CYS 15 3.439 -1.471 4.105 75 HA CYS 15 HA CYS 15 2.539 0.635 2.582 76 HB2 CYS 15 1HB CYS 15 1.603 0.126 4.769 77 HB3 CYS 15 2HB CYS 15 3.109 0.593 5.552 78 H CYS 16 H CYS 16 3.247 2.647 2.043 79 HA CYS 16 HA CYS 16 6.093 3.172 2.495 80 HB2 CYS 16 1HB CYS 16 5.679 4.944 0.684 81 HB3 CYS 16 2HB CYS 16 5.615 3.254 0.193 82 H GLU 17 H GLU 17 2.906 4.513 3.043 83 HA GLU 17 HA GLU 17 3.442 7.119 3.704 84 HB2 GLU 17 1HB GLU 17 1.501 5.161 4.918 85 HB3 GLU 17 2HB GLU 17 1.550 6.850 5.402 86 HG2 GLU 17 1HG GLU 17 0.721 7.595 3.404 87 HG3 GLU 17 2HG GLU 17 1.317 6.197 2.511 88 H CYS 18 H CYS 18 3.446 4.382 5.994 89 HA CYS 18 HA CYS 18 5.128 5.997 7.789 90 HB2 CYS 18 1HB CYS 18 4.359 4.550 9.597 91 HB3 CYS 18 2HB CYS 18 2.983 5.247 8.747 92 H GLY 19 H GLY 19 4.724 2.709 6.498 93 HA2 GLY 19 1HA GLY 19 6.842 1.758 5.564 94 HA3 GLY 19 2HA GLY 19 7.585 2.247 7.080 95 H LYS 20 H LYS 20 4.360 0.972 7.074 96 HA LYS 20 HA LYS 20 5.227 -1.252 8.712 97 HB2 LYS 20 1HB LYS 20 3.090 0.255 8.967 98 HB3 LYS 20 2HB LYS 20 2.398 -0.873 7.809 99 HG2 LYS 20 1HG LYS 20 2.675 -2.702 9.282 100 HG3 LYS 20 2HG LYS 20 3.698 -1.759 10.369 101 HD2 LYS 20 1HD LYS 20 1.798 -0.327 10.924 102 HD3 LYS 20 2HD LYS 20 0.774 -1.245 9.817 103 HE2 LYS 20 1HE LYS 20 1.611 -3.272 11.289 104 HE3 LYS 20 2HE LYS 20 1.858 -2.000 12.485 105 HZ1 LYS 20 3HZ LYS 20 -0.329 -2.973 12.708 106 HZ2 LYS 20 1HZ LYS 20 -0.695 -2.613 11.095 107 HZ3 LYS 20 2HZ LYS 20 -0.467 -1.362 12.211 108 H VAL 21 H VAL 21 4.870 -3.442 8.257 109 HA VAL 21 HA VAL 21 4.516 -4.043 5.393 110 HB VAL 21 HB VAL 21 6.012 -5.721 7.408 111 HG11 VAL 21 1HG1 VAL 21 6.986 -6.565 5.135 112 HG12 VAL 21 2HG1 VAL 21 5.433 -7.171 5.714 113 HG13 VAL 21 3HG1 VAL 21 5.485 -5.915 4.476 114 HG21 VAL 21 3HG2 VAL 21 6.810 -3.296 6.127 115 HG22 VAL 21 1HG2 VAL 21 7.732 -4.330 7.219 116 HG23 VAL 21 2HG2 VAL 21 7.765 -4.630 5.481 117 H PHE 22 H PHE 22 3.580 -6.171 4.902 118 HA PHE 22 HA PHE 22 1.970 -7.396 6.986 119 HB2 PHE 22 1HB PHE 22 0.710 -6.175 4.520 120 HB3 PHE 22 2HB PHE 22 -0.127 -7.175 5.704 121 HD1 PHE 22 HD2 PHE 22 1.589 -3.946 5.198 122 HD2 PHE 22 HD1 PHE 22 -0.944 -6.261 7.716 123 HE1 PHE 22 HE2 PHE 22 1.073 -1.937 6.521 124 HE2 PHE 22 HE1 PHE 22 -1.465 -4.255 9.042 125 HZ PHE 22 HZ PHE 22 -0.455 -2.090 8.446 126 H SER 23 H SER 23 0.538 -9.188 5.846 127 HA SER 23 HA SER 23 2.350 -10.625 4.023 128 HB2 SER 23 1HB SER 23 0.449 -11.596 6.151 129 HB3 SER 23 2HB SER 23 1.056 -12.673 4.893 130 HG SER 23 HG SER 23 2.270 -12.492 6.978 131 H ARG 24 H ARG 24 -1.022 -9.815 4.666 132 HA ARG 24 HA ARG 24 -1.660 -10.602 1.898 133 HB2 ARG 24 1HB ARG 24 -3.526 -10.681 4.276 134 HB3 ARG 24 2HB ARG 24 -3.916 -11.162 2.630 135 HG2 ARG 24 1HG ARG 24 -3.518 -13.195 3.596 136 HG3 ARG 24 2HG ARG 24 -1.918 -12.815 2.956 137 HD2 ARG 24 1HD ARG 24 -1.247 -11.964 5.151 138 HD3 ARG 24 2HD ARG 24 -2.846 -12.346 5.787 139 HE ARG 24 HE ARG 24 -1.844 -14.694 4.725 140 HH11 ARG 24 1HH1 ARG 24 -0.981 -12.443 7.237 141 HH12 ARG 24 2HH1 ARG 24 -0.207 -13.640 8.223 142 HH21 ARG 24 1HH2 ARG 24 -0.828 -16.278 6.014 143 HH22 ARG 24 2HH2 ARG 24 -0.120 -15.820 7.526 144 H LYS 25 H LYS 25 -2.405 -9.032 0.630 145 HA LYS 25 HA LYS 25 -2.354 -6.388 1.087 146 HB2 LYS 25 1HB LYS 25 -2.896 -7.515 -1.091 147 HB3 LYS 25 2HB LYS 25 -4.554 -7.684 -0.529 148 HG2 LYS 25 1HG LYS 25 -4.876 -5.333 -0.506 149 HG3 LYS 25 2HG LYS 25 -3.155 -5.033 -0.757 150 HD2 LYS 25 1HD LYS 25 -4.236 -4.684 -2.848 151 HD3 LYS 25 2HD LYS 25 -3.376 -6.221 -2.963 152 HE2 LYS 25 1HE LYS 25 -5.685 -7.187 -2.145 153 HE3 LYS 25 2HE LYS 25 -6.302 -5.679 -2.819 154 HZ1 LYS 25 3HZ LYS 25 -4.462 -7.217 -4.479 155 HZ2 LYS 25 1HZ LYS 25 -5.822 -6.313 -4.922 156 HZ3 LYS 25 2HZ LYS 25 -6.012 -7.860 -4.263 157 H ASP 26 H ASP 26 -5.168 -8.457 1.727 158 HA ASP 26 HA ASP 26 -7.034 -6.627 2.511 159 HB2 ASP 26 1HB ASP 26 -6.420 -9.412 3.383 160 HB3 ASP 26 2HB ASP 26 -7.600 -8.494 4.315 161 H GLN 27 H GLN 27 -4.558 -8.078 4.621 162 HA GLN 27 HA GLN 27 -5.220 -6.611 6.923 163 HB2 GLN 27 1HB GLN 27 -2.549 -7.780 6.124 164 HB3 GLN 27 2HB GLN 27 -2.989 -7.255 7.744 165 HG2 GLN 27 1HG GLN 27 -4.026 -9.597 6.191 166 HG3 GLN 27 2HG GLN 27 -3.229 -9.579 7.763 167 HE21 GLN 27 1HE2 GLN 27 -6.136 -9.834 6.215 168 HE22 GLN 27 2HE2 GLN 27 -7.190 -9.463 7.532 169 H LEU 28 H LEU 28 -3.489 -5.745 4.074 170 HA LEU 28 HA LEU 28 -2.109 -3.507 5.254 171 HB2 LEU 28 1HB LEU 28 -1.190 -4.735 3.334 172 HB3 LEU 28 2HB LEU 28 -2.561 -4.214 2.357 173 HG LEU 28 HG LEU 28 -1.664 -1.814 3.042 174 HD11 LEU 28 1HD1 LEU 28 0.695 -3.642 3.359 175 HD12 LEU 28 2HD1 LEU 28 0.126 -2.376 4.446 176 HD13 LEU 28 3HD1 LEU 28 0.876 -1.947 2.908 177 HD21 LEU 28 3HD2 LEU 28 -0.103 -3.237 0.934 178 HD22 LEU 28 1HD2 LEU 28 -0.845 -1.638 0.899 179 HD23 LEU 28 2HD2 LEU 28 -1.852 -3.080 0.763 180 H VAL 29 H VAL 29 -4.939 -3.979 3.174 181 HA VAL 29 HA VAL 29 -5.570 -1.331 2.645 182 HB VAL 29 HB VAL 29 -7.458 -3.648 3.087 183 HG11 VAL 29 1HG1 VAL 29 -7.987 -1.028 1.691 184 HG12 VAL 29 2HG1 VAL 29 -9.122 -2.363 1.902 185 HG13 VAL 29 3HG1 VAL 29 -8.565 -1.448 3.303 186 HG21 VAL 29 3HG2 VAL 29 -7.494 -3.506 0.519 187 HG22 VAL 29 1HG2 VAL 29 -6.005 -2.577 0.692 188 HG23 VAL 29 2HG2 VAL 29 -6.086 -4.234 1.291 189 H SER 30 H SER 30 -6.696 -3.355 5.351 190 HA SER 30 HA SER 30 -8.301 -1.491 6.625 191 HB2 SER 30 1HB SER 30 -8.289 -3.804 7.332 192 HB3 SER 30 2HB SER 30 -6.598 -3.689 7.820 193 HG SER 30 HG SER 30 -8.664 -3.273 9.330 194 H HIS 31 H HIS 31 -4.810 -1.962 6.839 195 HA HIS 31 HA HIS 31 -4.386 -0.079 8.923 196 HB2 HIS 31 1HB HIS 31 -2.658 -1.645 8.642 197 HB3 HIS 31 2HB HIS 31 -2.593 -1.397 6.900 198 HD1 HIS 31 HD1 HIS 31 -1.907 0.648 10.040 199 HD2 HIS 31 HD2 HIS 31 -0.523 0.165 6.152 200 HE1 HIS 31 HE1 HIS 31 0.086 2.169 9.842 201 H GLN 32 H GLN 32 -3.819 0.116 5.408 202 HA GLN 32 HA GLN 32 -2.966 2.722 5.229 203 HB2 GLN 32 1HB GLN 32 -4.652 1.084 3.344 204 HB3 GLN 32 2HB GLN 32 -4.081 2.695 2.932 205 HG2 GLN 32 1HG GLN 32 -1.755 1.890 3.333 206 HG3 GLN 32 2HG GLN 32 -2.413 0.265 3.520 207 HE21 GLN 32 1HE2 GLN 32 -0.625 0.404 1.657 208 HE22 GLN 32 2HE2 GLN 32 -1.305 0.452 0.070 209 H LYS 33 H LYS 33 -6.067 1.579 6.117 210 HA LYS 33 HA LYS 33 -7.495 3.988 5.438 211 HB2 LYS 33 1HB LYS 33 -8.218 1.531 7.030 212 HB3 LYS 33 2HB LYS 33 -9.309 2.900 6.862 213 HG2 LYS 33 1HG LYS 33 -9.503 2.580 4.528 214 HG3 LYS 33 2HG LYS 33 -8.160 1.435 4.504 215 HD2 LYS 33 1HD LYS 33 -9.905 -0.037 4.463 216 HD3 LYS 33 2HD LYS 33 -9.720 0.139 6.210 217 HE2 LYS 33 1HE LYS 33 -11.526 2.006 4.746 218 HE3 LYS 33 2HE LYS 33 -12.076 0.362 5.067 219 HZ1 LYS 33 3HZ LYS 33 -12.111 2.522 6.802 220 HZ2 LYS 33 1HZ LYS 33 -10.934 1.464 7.401 221 HZ3 LYS 33 2HZ LYS 33 -12.514 0.917 7.151 222 H THR 34 H THR 34 -5.128 3.723 7.471 223 HA THR 34 HA THR 34 -6.431 5.103 9.718 224 HB THR 34 HB THR 34 -4.527 4.554 11.073 225 HG1 THR 34 HG1 THR 34 -3.392 3.735 8.607 226 HG21 THR 34 3HG2 THR 34 -5.798 2.687 11.273 227 HG22 THR 34 1HG2 THR 34 -4.431 1.940 10.447 228 HG23 THR 34 2HG2 THR 34 -5.863 2.414 9.532 229 H HIS 35 H HIS 35 -4.128 5.458 7.151 230 HA HIS 35 HA HIS 35 -2.981 7.895 8.189 231 HB2 HIS 35 1HB HIS 35 -2.743 6.664 5.436 232 HB3 HIS 35 2HB HIS 35 -1.754 7.975 6.072 233 HD1 HIS 35 HD1 HIS 35 -0.476 7.177 8.457 234 HD2 HIS 35 HD2 HIS 35 -1.511 4.280 5.665 235 HE1 HIS 35 HE1 HIS 35 0.969 5.188 8.985 236 H SER 36 H SER 36 -4.983 9.069 8.468 237 HA SER 36 HA SER 36 -5.604 10.666 6.148 238 HB2 SER 36 1HB SER 36 -7.137 8.676 5.963 239 HB3 SER 36 2HB SER 36 -7.865 9.170 7.491 240 HG SER 36 HG SER 36 -9.105 10.272 6.173 241 H GLY 37 H GLY 37 -6.676 12.618 6.662 242 HA2 GLY 37 1HA GLY 37 -7.951 13.800 8.489 243 HA3 GLY 37 2HA GLY 37 -6.684 13.212 9.556 244 H GLN 38 H GLN 38 -7.093 15.829 9.625 245 HA GLN 38 HA GLN 38 -4.664 16.884 8.408 246 HB2 GLN 38 1HB GLN 38 -7.370 18.189 8.068 247 HB3 GLN 38 2HB GLN 38 -5.834 18.925 7.631 248 HG2 GLN 38 1HG GLN 38 -5.491 16.899 6.120 249 HG3 GLN 38 2HG GLN 38 -7.205 16.576 6.374 250 HE21 GLN 38 1HE2 GLN 38 -4.884 18.453 4.724 251 HE22 GLN 38 2HE2 GLN 38 -5.980 19.429 3.813 252 H SER 39 H SER 39 -3.595 18.250 9.720 253 HA SER 39 HA SER 39 -3.871 18.424 12.369 254 HB2 SER 39 1HB SER 39 -2.077 19.503 10.893 255 HB3 SER 39 2HB SER 39 -3.137 20.911 10.827 256 HG SER 39 HG SER 39 -2.579 19.829 13.335 257 H GLY 40 H GLY 40 -5.578 18.839 13.602 258 HA2 GLY 40 1HA GLY 40 -6.782 21.030 14.315 259 HA3 GLY 40 2HA GLY 40 -7.513 20.868 12.725 260 HA PRO 41 HA PRO 41 -9.095 17.078 15.276 261 HB2 PRO 41 1HB PRO 41 -8.461 17.029 17.915 262 HB3 PRO 41 2HB PRO 41 -7.451 16.283 16.671 263 HG2 PRO 41 1HG PRO 41 -7.138 18.934 18.028 264 HG3 PRO 41 2HG PRO 41 -5.903 17.721 17.642 265 HD2 PRO 41 1HD PRO 41 -6.289 19.939 16.137 266 HD3 PRO 41 2HD PRO 41 -5.747 18.397 15.444 267 H SER 42 H SER 42 -11.050 16.921 16.404 268 HA SER 42 HA SER 42 -12.546 19.266 16.673 269 HB2 SER 42 1HB SER 42 -13.474 16.963 16.306 270 HB3 SER 42 2HB SER 42 -13.144 16.613 18.002 271 HG SER 42 HG SER 42 -14.663 18.871 17.285 272 H SER 43 H SER 43 -11.272 17.129 19.226 273 HA SER 43 HA SER 43 -12.050 18.847 21.351 274 HB2 SER 43 1HB SER 43 -11.716 16.474 21.753 275 HB3 SER 43 2HB SER 43 -10.025 16.598 21.269 276 HG SER 43 HG SER 43 -11.272 17.410 23.626 277 H GLY 44 H GLY 44 -11.268 20.913 20.978 278 HA2 GLY 44 1HA GLY 44 -8.858 21.798 20.118 279 HA3 GLY 44 2HA GLY 44 -9.746 22.600 21.405 Start of MODEL 4 1 H1 GLY 1 H GLY 1 31.913 -11.843 7.456 2 HA2 GLY 1 1HA GLY 1 32.736 -10.490 9.932 3 HA3 GLY 1 2HA GLY 1 31.511 -9.916 8.810 4 H SER 2 H SER 2 29.622 -11.565 8.566 5 HA SER 2 HA SER 2 28.997 -12.950 11.044 6 HB2 SER 2 1HB SER 2 28.279 -10.526 11.306 7 HB3 SER 2 2HB SER 2 27.108 -10.824 10.021 8 HG SER 2 HG SER 2 25.902 -11.464 11.624 9 H SER 3 H SER 3 27.480 -14.560 10.807 10 HA SER 3 HA SER 3 26.496 -14.991 8.062 11 HB2 SER 3 1HB SER 3 26.605 -17.417 8.551 12 HB3 SER 3 2HB SER 3 28.185 -16.645 8.674 13 HG SER 3 HG SER 3 26.676 -17.877 10.603 14 H GLY 4 H GLY 4 24.364 -14.987 7.815 15 HA2 GLY 4 1HA GLY 4 22.665 -15.882 10.036 16 HA3 GLY 4 2HA GLY 4 22.390 -14.283 9.360 17 H SER 5 H SER 5 20.252 -15.723 9.246 18 HA SER 5 HA SER 5 20.177 -16.951 6.570 19 HB2 SER 5 1HB SER 5 18.230 -18.219 7.325 20 HB3 SER 5 2HB SER 5 19.585 -18.485 8.421 21 HG SER 5 HG SER 5 18.645 -17.074 9.883 22 H SER 6 H SER 6 19.813 -15.070 5.404 23 HA SER 6 HA SER 6 17.460 -13.469 6.079 24 HB2 SER 6 1HB SER 6 19.713 -12.423 5.489 25 HB3 SER 6 2HB SER 6 19.408 -12.945 3.832 26 HG SER 6 HG SER 6 18.548 -10.966 3.870 27 H GLY 7 H GLY 7 15.731 -13.172 4.679 28 HA2 GLY 7 1HA GLY 7 14.645 -13.471 2.555 29 HA3 GLY 7 2HA GLY 7 15.674 -14.867 2.272 30 H THR 8 H THR 8 13.326 -13.773 4.725 31 HA THR 8 HA THR 8 12.071 -16.434 4.550 32 HB THR 8 HB THR 8 12.992 -16.627 6.648 33 HG1 THR 8 HG1 THR 8 11.260 -15.821 8.176 34 HG21 THR 8 3HG2 THR 8 14.167 -14.645 6.967 35 HG22 THR 8 1HG2 THR 8 12.968 -14.594 8.259 36 HG23 THR 8 2HG2 THR 8 12.725 -13.646 6.792 37 H GLY 9 H GLY 9 10.000 -16.365 3.981 38 HA2 GLY 9 1HA GLY 9 7.936 -15.508 3.435 39 HA3 GLY 9 2HA GLY 9 8.000 -14.812 5.048 40 H GLU 10 H GLU 10 8.887 -14.243 1.672 41 HA GLU 10 HA GLU 10 9.803 -11.662 1.781 42 HB2 GLU 10 1HB GLU 10 9.678 -13.041 -0.274 43 HB3 GLU 10 2HB GLU 10 7.940 -12.781 -0.320 44 HG2 GLU 10 1HG GLU 10 8.856 -11.265 -1.856 45 HG3 GLU 10 2HG GLU 10 8.438 -10.310 -0.435 46 H ASN 11 H ASN 11 8.817 -9.602 1.470 47 HA ASN 11 HA ASN 11 6.089 -9.465 2.570 48 HB2 ASN 11 1HB ASN 11 8.039 -7.175 2.600 49 HB3 ASN 11 2HB ASN 11 6.639 -7.445 3.634 50 HD21 ASN 11 1HD2 ASN 11 9.951 -7.656 3.400 51 HD22 ASN 11 2HD2 ASN 11 10.253 -8.671 4.765 52 HA PRO 12 HA PRO 12 5.700 -7.994 -1.784 53 HB2 PRO 12 1HB PRO 12 3.251 -9.103 -2.165 54 HB3 PRO 12 2HB PRO 12 4.757 -9.997 -2.401 55 HG2 PRO 12 1HG PRO 12 2.902 -9.997 -0.051 56 HG3 PRO 12 2HG PRO 12 3.715 -11.364 -0.835 57 HD2 PRO 12 1HD PRO 12 4.622 -10.253 1.462 58 HD3 PRO 12 2HD PRO 12 5.708 -10.965 0.251 59 H TYR 13 H TYR 13 4.229 -7.380 1.163 60 HA TYR 13 HA TYR 13 2.779 -5.098 0.019 61 HB2 TYR 13 1HB TYR 13 1.695 -6.841 2.240 62 HB3 TYR 13 2HB TYR 13 0.904 -5.442 1.522 63 HD1 TYR 13 HD2 TYR 13 0.119 -5.569 -0.855 64 HD2 TYR 13 HD1 TYR 13 1.528 -8.987 1.250 65 HE1 TYR 13 HE2 TYR 13 -0.968 -7.028 -2.510 66 HE2 TYR 13 HE1 TYR 13 0.446 -10.456 -0.400 67 HH TYR 13 HH TYR 13 -0.285 -9.931 -3.130 68 H GLU 14 H GLU 14 3.983 -3.444 0.720 69 HA GLU 14 HA GLU 14 4.435 -3.223 3.614 70 HB2 GLU 14 1HB GLU 14 6.547 -3.913 2.554 71 HB3 GLU 14 2HB GLU 14 6.457 -2.528 1.476 72 HG2 GLU 14 1HG GLU 14 6.649 -1.017 3.367 73 HG3 GLU 14 2HG GLU 14 6.687 -2.389 4.474 74 H CYS 15 H CYS 15 3.327 -1.522 4.294 75 HA CYS 15 HA CYS 15 2.224 0.468 2.696 76 HB2 CYS 15 1HB CYS 15 1.333 0.089 4.887 77 HB3 CYS 15 2HB CYS 15 2.882 0.446 5.643 78 H CYS 16 H CYS 16 2.764 2.620 2.291 79 HA CYS 16 HA CYS 16 5.633 3.218 2.560 80 HB2 CYS 16 1HB CYS 16 4.935 3.073 0.246 81 HB3 CYS 16 2HB CYS 16 3.605 4.189 0.538 82 H GLU 17 H GLU 17 2.442 4.278 3.338 83 HA GLU 17 HA GLU 17 2.850 6.999 3.786 84 HB2 GLU 17 1HB GLU 17 0.961 4.960 4.874 85 HB3 GLU 17 2HB GLU 17 1.039 6.531 5.658 86 HG2 GLU 17 1HG GLU 17 0.324 5.945 2.800 87 HG3 GLU 17 2HG GLU 17 -0.722 6.588 4.064 88 H CYS 18 H CYS 18 3.286 4.251 5.992 89 HA CYS 18 HA CYS 18 4.838 6.030 7.758 90 HB2 CYS 18 1HB CYS 18 4.127 4.743 9.653 91 HB3 CYS 18 2HB CYS 18 2.688 5.172 8.733 92 H GLY 19 H GLY 19 4.613 2.880 6.226 93 HA2 GLY 19 1HA GLY 19 6.686 1.907 5.390 94 HA3 GLY 19 2HA GLY 19 7.466 2.464 6.864 95 H LYS 20 H LYS 20 4.297 1.055 7.001 96 HA LYS 20 HA LYS 20 5.298 -1.070 8.684 97 HB2 LYS 20 1HB LYS 20 2.613 0.006 7.962 98 HB3 LYS 20 2HB LYS 20 2.707 -1.649 8.550 99 HG2 LYS 20 1HG LYS 20 4.043 0.537 10.078 100 HG3 LYS 20 2HG LYS 20 2.298 0.308 10.210 101 HD2 LYS 20 1HD LYS 20 3.024 -1.037 11.920 102 HD3 LYS 20 2HD LYS 20 2.988 -2.202 10.595 103 HE2 LYS 20 1HE LYS 20 5.266 -2.313 10.450 104 HE3 LYS 20 2HE LYS 20 5.491 -0.662 11.027 105 HZ1 LYS 20 3HZ LYS 20 4.473 -1.814 13.198 106 HZ2 LYS 20 1HZ LYS 20 6.134 -1.719 12.888 107 HZ3 LYS 20 2HZ LYS 20 5.285 -3.137 12.528 108 H VAL 21 H VAL 21 4.521 -3.327 8.357 109 HA VAL 21 HA VAL 21 4.388 -4.028 5.498 110 HB VAL 21 HB VAL 21 5.890 -5.602 7.592 111 HG11 VAL 21 1HG1 VAL 21 6.856 -6.646 5.461 112 HG12 VAL 21 2HG1 VAL 21 5.213 -7.096 5.923 113 HG13 VAL 21 3HG1 VAL 21 5.477 -5.918 4.636 114 HG21 VAL 21 3HG2 VAL 21 7.829 -4.561 7.052 115 HG22 VAL 21 1HG2 VAL 21 7.333 -4.266 5.385 116 HG23 VAL 21 2HG2 VAL 21 6.736 -3.228 6.679 117 H PHE 22 H PHE 22 3.519 -6.227 5.107 118 HA PHE 22 HA PHE 22 1.927 -7.419 7.202 119 HB2 PHE 22 1HB PHE 22 0.604 -6.135 4.804 120 HB3 PHE 22 2HB PHE 22 -0.205 -7.210 5.939 121 HD1 PHE 22 HD2 PHE 22 1.632 -3.990 5.738 122 HD2 PHE 22 HD1 PHE 22 -1.192 -6.362 7.862 123 HE1 PHE 22 HE2 PHE 22 1.099 -2.064 7.173 124 HE2 PHE 22 HE1 PHE 22 -1.731 -4.440 9.300 125 HZ PHE 22 HZ PHE 22 -0.584 -2.288 8.958 126 H SER 23 H SER 23 0.451 -9.196 6.076 127 HA SER 23 HA SER 23 2.277 -10.713 4.357 128 HB2 SER 23 1HB SER 23 -0.015 -11.536 6.140 129 HB3 SER 23 2HB SER 23 0.729 -12.646 4.989 130 HG SER 23 HG SER 23 1.533 -12.263 7.383 131 H ARG 24 H ARG 24 -1.175 -9.898 4.632 132 HA ARG 24 HA ARG 24 -1.423 -10.381 1.735 133 HB2 ARG 24 1HB ARG 24 -3.552 -10.658 3.865 134 HB3 ARG 24 2HB ARG 24 -3.798 -10.895 2.140 135 HG2 ARG 24 1HG ARG 24 -2.548 -12.864 2.110 136 HG3 ARG 24 2HG ARG 24 -1.783 -12.507 3.660 137 HD2 ARG 24 1HD ARG 24 -3.321 -14.060 4.327 138 HD3 ARG 24 2HD ARG 24 -4.270 -12.587 4.522 139 HE ARG 24 HE ARG 24 -4.538 -13.807 1.932 140 HH11 ARG 24 1HH1 ARG 24 -5.709 -13.747 5.210 141 HH12 ARG 24 2HH1 ARG 24 -7.263 -14.398 4.805 142 HH21 ARG 24 1HH2 ARG 24 -6.580 -14.665 1.386 143 HH22 ARG 24 2HH2 ARG 24 -7.757 -14.920 2.630 144 H LYS 25 H LYS 25 -2.395 -8.843 0.484 145 HA LYS 25 HA LYS 25 -2.203 -6.197 1.033 146 HB2 LYS 25 1HB LYS 25 -2.686 -6.917 -1.198 147 HB3 LYS 25 2HB LYS 25 -4.228 -7.606 -0.707 148 HG2 LYS 25 1HG LYS 25 -4.615 -5.552 -1.880 149 HG3 LYS 25 2HG LYS 25 -5.035 -5.331 -0.180 150 HD2 LYS 25 1HD LYS 25 -3.818 -3.429 -0.514 151 HD3 LYS 25 2HD LYS 25 -2.514 -4.524 -0.045 152 HE2 LYS 25 1HE LYS 25 -1.661 -3.520 -1.947 153 HE3 LYS 25 2HE LYS 25 -2.349 -5.013 -2.585 154 HZ1 LYS 25 3HZ LYS 25 -2.965 -2.376 -3.298 155 HZ2 LYS 25 1HZ LYS 25 -4.347 -3.059 -2.601 156 HZ3 LYS 25 2HZ LYS 25 -3.609 -3.808 -3.925 157 H ASP 26 H ASP 26 -5.187 -8.105 1.431 158 HA ASP 26 HA ASP 26 -6.944 -6.270 2.341 159 HB2 ASP 26 1HB ASP 26 -7.333 -8.748 2.145 160 HB3 ASP 26 2HB ASP 26 -6.549 -8.935 3.712 161 H GLN 27 H GLN 27 -4.676 -7.998 4.486 162 HA GLN 27 HA GLN 27 -5.269 -6.591 6.816 163 HB2 GLN 27 1HB GLN 27 -2.578 -7.736 6.056 164 HB3 GLN 27 2HB GLN 27 -3.161 -7.415 7.683 165 HG2 GLN 27 1HG GLN 27 -4.001 -9.560 5.775 166 HG3 GLN 27 2HG GLN 27 -3.401 -9.712 7.426 167 HE21 GLN 27 1HE2 GLN 27 -5.850 -10.733 6.139 168 HE22 GLN 27 2HE2 GLN 27 -7.157 -10.151 7.108 169 H LEU 28 H LEU 28 -3.287 -5.728 4.091 170 HA LEU 28 HA LEU 28 -1.910 -3.581 5.395 171 HB2 LEU 28 1HB LEU 28 -1.040 -4.796 3.412 172 HB3 LEU 28 2HB LEU 28 -2.317 -4.060 2.447 173 HG LEU 28 HG LEU 28 -1.235 -1.823 3.326 174 HD11 LEU 28 1HD1 LEU 28 0.422 -2.537 4.776 175 HD12 LEU 28 2HD1 LEU 28 1.314 -2.250 3.282 176 HD13 LEU 28 3HD1 LEU 28 0.881 -3.895 3.747 177 HD21 LEU 28 3HD2 LEU 28 0.491 -2.210 1.336 178 HD22 LEU 28 1HD2 LEU 28 -1.234 -1.966 1.060 179 HD23 LEU 28 2HD2 LEU 28 -0.561 -3.597 1.049 180 H VAL 29 H VAL 29 -4.670 -3.807 3.177 181 HA VAL 29 HA VAL 29 -5.165 -1.091 2.832 182 HB VAL 29 HB VAL 29 -7.087 -3.416 2.881 183 HG11 VAL 29 1HG1 VAL 29 -8.265 -1.324 3.406 184 HG12 VAL 29 2HG1 VAL 29 -7.609 -0.598 1.937 185 HG13 VAL 29 3HG1 VAL 29 -8.721 -1.963 1.827 186 HG21 VAL 29 3HG2 VAL 29 -6.093 -3.836 0.924 187 HG22 VAL 29 1HG2 VAL 29 -6.920 -2.399 0.322 188 HG23 VAL 29 2HG2 VAL 29 -5.265 -2.279 0.919 189 H SER 30 H SER 30 -6.472 -3.308 5.288 190 HA SER 30 HA SER 30 -8.124 -1.500 6.612 191 HB2 SER 30 1HB SER 30 -8.157 -3.927 7.032 192 HB3 SER 30 2HB SER 30 -6.576 -3.813 7.807 193 HG SER 30 HG SER 30 -7.720 -3.489 9.542 194 H HIS 31 H HIS 31 -4.691 -1.760 6.579 195 HA HIS 31 HA HIS 31 -4.353 -0.164 8.988 196 HB2 HIS 31 1HB HIS 31 -2.667 -1.760 8.863 197 HB3 HIS 31 2HB HIS 31 -2.497 -1.592 7.118 198 HD1 HIS 31 HD1 HIS 31 -1.448 -0.002 10.348 199 HD2 HIS 31 HD2 HIS 31 -0.713 0.369 6.276 200 HE1 HIS 31 HE1 HIS 31 0.534 1.534 10.160 201 H GLN 32 H GLN 32 -3.443 0.106 5.550 202 HA GLN 32 HA GLN 32 -2.450 2.671 5.555 203 HB2 GLN 32 1HB GLN 32 -4.099 1.343 3.397 204 HB3 GLN 32 2HB GLN 32 -3.106 2.777 3.171 205 HG2 GLN 32 1HG GLN 32 -1.107 1.553 3.573 206 HG3 GLN 32 2HG GLN 32 -2.014 0.133 4.090 207 HE21 GLN 32 1HE2 GLN 32 -0.142 1.088 1.735 208 HE22 GLN 32 2HE2 GLN 32 -0.872 0.319 0.370 209 H LYS 33 H LYS 33 -5.711 1.636 5.954 210 HA LYS 33 HA LYS 33 -7.076 3.955 5.137 211 HB2 LYS 33 1HB LYS 33 -7.731 1.755 7.081 212 HB3 LYS 33 2HB LYS 33 -8.824 3.112 6.838 213 HG2 LYS 33 1HG LYS 33 -9.176 2.542 4.569 214 HG3 LYS 33 2HG LYS 33 -7.849 1.378 4.586 215 HD2 LYS 33 1HD LYS 33 -9.696 0.002 4.771 216 HD3 LYS 33 2HD LYS 33 -9.240 0.227 6.461 217 HE2 LYS 33 1HE LYS 33 -10.890 2.242 6.344 218 HE3 LYS 33 2HE LYS 33 -11.535 1.393 4.940 219 HZ1 LYS 33 3HZ LYS 33 -12.799 0.533 6.629 220 HZ2 LYS 33 1HZ LYS 33 -11.546 0.584 7.764 221 HZ3 LYS 33 2HZ LYS 33 -11.555 -0.611 6.568 222 H THR 34 H THR 34 -5.455 3.107 8.128 223 HA THR 34 HA THR 34 -6.480 5.143 9.766 224 HB THR 34 HB THR 34 -5.172 3.199 10.604 225 HG1 THR 34 HG1 THR 34 -4.531 5.859 11.290 226 HG21 THR 34 3HG2 THR 34 -2.576 4.468 10.269 227 HG22 THR 34 1HG2 THR 34 -3.296 3.992 8.732 228 HG23 THR 34 2HG2 THR 34 -3.055 2.792 10.002 229 H HIS 35 H HIS 35 -4.247 5.244 7.162 230 HA HIS 35 HA HIS 35 -3.041 7.752 7.976 231 HB2 HIS 35 1HB HIS 35 -2.776 6.127 5.439 232 HB3 HIS 35 2HB HIS 35 -1.873 7.601 5.776 233 HD1 HIS 35 HD1 HIS 35 -1.008 7.086 8.660 234 HD2 HIS 35 HD2 HIS 35 -0.860 4.217 5.658 235 HE1 HIS 35 HE1 HIS 35 0.716 5.416 9.411 236 H SER 36 H SER 36 -3.763 9.712 7.461 237 HA SER 36 HA SER 36 -5.038 11.380 6.584 238 HB2 SER 36 1HB SER 36 -5.016 9.584 4.146 239 HB3 SER 36 2HB SER 36 -5.530 11.271 4.157 240 HG SER 36 HG SER 36 -3.487 11.588 3.718 241 H GLY 37 H GLY 37 -6.415 9.671 8.212 242 HA2 GLY 37 1HA GLY 37 -8.948 9.117 6.825 243 HA3 GLY 37 2HA GLY 37 -8.472 8.462 8.386 244 H GLN 38 H GLN 38 -8.613 11.779 7.093 245 HA GLN 38 HA GLN 38 -10.876 12.558 8.574 246 HB2 GLN 38 1HB GLN 38 -9.039 12.180 10.372 247 HB3 GLN 38 2HB GLN 38 -8.368 13.691 9.773 248 HG2 GLN 38 1HG GLN 38 -10.506 14.805 10.258 249 HG3 GLN 38 2HG GLN 38 -11.120 13.292 10.921 250 HE21 GLN 38 1HE2 GLN 38 -9.344 12.314 12.507 251 HE22 GLN 38 2HE2 GLN 38 -8.844 13.419 13.737 252 H SER 39 H SER 39 -11.659 14.040 7.242 253 HA SER 39 HA SER 39 -9.893 15.650 5.607 254 HB2 SER 39 1HB SER 39 -12.916 15.557 5.755 255 HB3 SER 39 2HB SER 39 -11.985 16.460 4.561 256 HG SER 39 HG SER 39 -12.787 14.212 4.048 257 H GLY 40 H GLY 40 -9.649 17.859 5.693 258 HA2 GLY 40 1HA GLY 40 -10.164 20.042 6.472 259 HA3 GLY 40 2HA GLY 40 -11.068 19.326 7.798 260 HA PRO 41 HA PRO 41 -6.400 18.906 8.997 261 HB2 PRO 41 1HB PRO 41 -4.614 20.181 7.398 262 HB3 PRO 41 2HB PRO 41 -5.108 18.504 7.140 263 HG2 PRO 41 1HG PRO 41 -6.063 20.991 5.775 264 HG3 PRO 41 2HG PRO 41 -5.663 19.413 5.073 265 HD2 PRO 41 1HD PRO 41 -8.212 20.190 5.552 266 HD3 PRO 41 2HD PRO 41 -7.694 18.496 5.661 267 H SER 42 H SER 42 -7.364 21.906 7.385 268 HA SER 42 HA SER 42 -5.990 23.538 9.346 269 HB2 SER 42 1HB SER 42 -6.640 25.414 8.023 270 HB3 SER 42 2HB SER 42 -6.200 24.139 6.887 271 HG SER 42 HG SER 42 -8.618 23.669 7.065 272 H SER 43 H SER 43 -7.232 25.358 10.388 273 HA SER 43 HA SER 43 -9.941 24.521 11.169 274 HB2 SER 43 1HB SER 43 -7.639 25.236 12.980 275 HB3 SER 43 2HB SER 43 -9.314 25.353 13.517 276 HG SER 43 HG SER 43 -9.321 23.038 12.582 277 H GLY 44 H GLY 44 -10.786 26.137 9.810 278 HA2 GLY 44 1HA GLY 44 -11.439 28.260 9.205 279 HA3 GLY 44 2HA GLY 44 -11.450 28.546 10.939 Start of MODEL 5 1 H1 GLY 1 H GLY 1 27.862 -2.696 19.191 2 HA2 GLY 1 1HA GLY 1 27.575 -3.825 16.505 3 HA3 GLY 1 2HA GLY 1 26.554 -4.485 17.774 4 H SER 2 H SER 2 27.251 -1.679 15.811 5 HA SER 2 HA SER 2 24.929 -0.264 16.877 6 HB2 SER 2 1HB SER 2 25.773 1.489 15.124 7 HB3 SER 2 2HB SER 2 26.670 1.259 16.625 8 HG SER 2 HG SER 2 27.328 -0.261 14.356 9 H SER 3 H SER 3 24.956 -2.727 15.055 10 HA SER 3 HA SER 3 22.763 -1.857 13.395 11 HB2 SER 3 1HB SER 3 25.249 -3.004 12.100 12 HB3 SER 3 2HB SER 3 23.731 -2.641 11.280 13 HG SER 3 HG SER 3 25.711 -0.920 12.219 14 H GLY 4 H GLY 4 21.265 -3.394 13.460 15 HA2 GLY 4 1HA GLY 4 22.055 -6.082 14.317 16 HA3 GLY 4 2HA GLY 4 20.427 -5.422 14.352 17 H SER 5 H SER 5 21.084 -7.965 13.331 18 HA SER 5 HA SER 5 19.817 -7.814 10.785 19 HB2 SER 5 1HB SER 5 22.774 -8.170 10.910 20 HB3 SER 5 2HB SER 5 21.880 -9.145 9.744 21 HG SER 5 HG SER 5 22.137 -6.347 9.901 22 H SER 6 H SER 6 18.391 -9.380 11.189 23 HA SER 6 HA SER 6 19.361 -11.915 12.322 24 HB2 SER 6 1HB SER 6 17.106 -12.333 13.064 25 HB3 SER 6 2HB SER 6 17.542 -10.695 13.551 26 HG SER 6 HG SER 6 16.135 -11.278 11.163 27 H GLY 7 H GLY 7 17.839 -10.450 9.567 28 HA2 GLY 7 1HA GLY 7 18.453 -12.302 7.694 29 HA3 GLY 7 2HA GLY 7 16.985 -12.955 8.407 30 H THR 8 H THR 8 17.200 -12.218 5.711 31 HA THR 8 HA THR 8 16.242 -9.623 5.166 32 HB THR 8 HB THR 8 15.638 -10.470 2.955 33 HG1 THR 8 HG1 THR 8 15.811 -12.929 4.289 34 HG21 THR 8 3HG2 THR 8 18.221 -10.712 4.169 35 HG22 THR 8 1HG2 THR 8 17.812 -10.267 2.513 36 HG23 THR 8 2HG2 THR 8 18.030 -11.964 2.942 37 H GLY 9 H GLY 9 14.187 -8.823 4.825 38 HA2 GLY 9 1HA GLY 9 11.928 -10.615 5.409 39 HA3 GLY 9 2HA GLY 9 12.111 -9.132 6.335 40 H GLU 10 H GLU 10 11.672 -10.393 3.059 41 HA GLU 10 HA GLU 10 10.604 -7.785 2.238 42 HB2 GLU 10 1HB GLU 10 12.427 -8.899 0.885 43 HB3 GLU 10 2HB GLU 10 11.252 -10.137 0.462 44 HG2 GLU 10 1HG GLU 10 10.675 -7.248 -0.043 45 HG3 GLU 10 2HG GLU 10 11.658 -8.187 -1.165 46 H ASN 11 H ASN 11 8.522 -7.524 1.602 47 HA ASN 11 HA ASN 11 6.808 -9.901 1.442 48 HB2 ASN 11 1HB ASN 11 6.304 -7.432 3.110 49 HB3 ASN 11 2HB ASN 11 5.044 -8.594 2.700 50 HD21 ASN 11 1HD2 ASN 11 8.313 -8.478 4.067 51 HD22 ASN 11 2HD2 ASN 11 8.037 -9.688 5.269 52 HA PRO 12 HA PRO 12 5.206 -7.994 -2.180 53 HB2 PRO 12 1HB PRO 12 2.747 -9.142 -2.265 54 HB3 PRO 12 2HB PRO 12 4.232 -10.022 -2.647 55 HG2 PRO 12 1HG PRO 12 2.647 -9.993 -0.107 56 HG3 PRO 12 2HG PRO 12 3.389 -11.367 -0.948 57 HD2 PRO 12 1HD PRO 12 4.526 -10.193 1.211 58 HD3 PRO 12 2HD PRO 12 5.483 -10.918 -0.097 59 H TYR 13 H TYR 13 3.965 -7.409 0.907 60 HA TYR 13 HA TYR 13 2.410 -5.136 -0.116 61 HB2 TYR 13 1HB TYR 13 1.558 -6.838 2.232 62 HB3 TYR 13 2HB TYR 13 0.673 -5.492 1.523 63 HD1 TYR 13 HD2 TYR 13 -0.339 -5.742 -0.739 64 HD2 TYR 13 HD1 TYR 13 1.417 -9.029 1.313 65 HE1 TYR 13 HE2 TYR 13 -1.513 -7.298 -2.239 66 HE2 TYR 13 HE1 TYR 13 0.250 -10.594 -0.182 67 HH TYR 13 HH TYR 13 -1.145 -10.816 -1.890 68 H GLU 14 H GLU 14 3.584 -3.429 0.477 69 HA GLU 14 HA GLU 14 4.445 -3.262 3.288 70 HB2 GLU 14 1HB GLU 14 6.386 -3.664 1.815 71 HB3 GLU 14 2HB GLU 14 5.971 -2.227 0.891 72 HG2 GLU 14 1HG GLU 14 6.369 -0.830 2.827 73 HG3 GLU 14 2HG GLU 14 6.707 -2.254 3.809 74 H CYS 15 H CYS 15 3.682 -1.550 4.336 75 HA CYS 15 HA CYS 15 2.129 0.425 2.924 76 HB2 CYS 15 1HB CYS 15 1.473 -0.544 5.147 77 HB3 CYS 15 2HB CYS 15 2.815 0.340 5.867 78 H CYS 16 H CYS 16 4.043 1.194 1.688 79 HA CYS 16 HA CYS 16 6.297 2.387 2.584 80 HB2 CYS 16 1HB CYS 16 4.435 3.042 0.346 81 HB3 CYS 16 2HB CYS 16 5.723 4.185 0.713 82 H GLU 17 H GLU 17 3.038 3.624 2.901 83 HA GLU 17 HA GLU 17 3.345 6.254 3.477 84 HB2 GLU 17 1HB GLU 17 1.657 4.313 5.066 85 HB3 GLU 17 2HB GLU 17 1.446 6.058 5.025 86 HG2 GLU 17 1HG GLU 17 1.101 4.155 2.721 87 HG3 GLU 17 2HG GLU 17 -0.176 4.993 3.600 88 H CYS 18 H CYS 18 3.377 3.803 6.070 89 HA CYS 18 HA CYS 18 5.050 5.613 7.661 90 HB2 CYS 18 1HB CYS 18 4.386 4.231 9.586 91 HB3 CYS 18 2HB CYS 18 2.983 4.863 8.730 92 H GLY 19 H GLY 19 4.863 2.263 6.524 93 HA2 GLY 19 1HA GLY 19 7.055 1.388 5.702 94 HA3 GLY 19 2HA GLY 19 7.720 1.970 7.221 95 H LYS 20 H LYS 20 4.582 0.447 7.007 96 HA LYS 20 HA LYS 20 5.567 -1.707 8.722 97 HB2 LYS 20 1HB LYS 20 3.420 -0.200 9.086 98 HB3 LYS 20 2HB LYS 20 2.680 -1.394 8.028 99 HG2 LYS 20 1HG LYS 20 3.558 -3.154 9.613 100 HG3 LYS 20 2HG LYS 20 3.946 -1.832 10.716 101 HD2 LYS 20 1HD LYS 20 1.519 -1.122 10.484 102 HD3 LYS 20 2HD LYS 20 1.242 -2.679 9.699 103 HE2 LYS 20 1HE LYS 20 2.503 -2.411 12.419 104 HE3 LYS 20 2HE LYS 20 0.764 -2.578 12.181 105 HZ1 LYS 20 3HZ LYS 20 1.338 -4.747 12.435 106 HZ2 LYS 20 1HZ LYS 20 2.891 -4.547 11.794 107 HZ3 LYS 20 2HZ LYS 20 1.554 -4.627 10.762 108 H VAL 21 H VAL 21 4.777 -3.914 8.346 109 HA VAL 21 HA VAL 21 4.418 -4.487 5.476 110 HB VAL 21 HB VAL 21 5.922 -6.238 7.421 111 HG11 VAL 21 1HG1 VAL 21 5.230 -7.649 5.740 112 HG12 VAL 21 2HG1 VAL 21 5.276 -6.383 4.511 113 HG13 VAL 21 3HG1 VAL 21 6.778 -7.094 5.104 114 HG21 VAL 21 3HG2 VAL 21 7.826 -5.394 5.731 115 HG22 VAL 21 1HG2 VAL 21 6.804 -3.957 5.764 116 HG23 VAL 21 2HG2 VAL 21 7.474 -4.596 7.264 117 H PHE 22 H PHE 22 3.204 -6.369 4.949 118 HA PHE 22 HA PHE 22 1.668 -7.585 7.122 119 HB2 PHE 22 1HB PHE 22 0.389 -6.393 4.653 120 HB3 PHE 22 2HB PHE 22 -0.447 -7.255 5.941 121 HD1 PHE 22 HD2 PHE 22 1.605 -4.237 5.265 122 HD2 PHE 22 HD1 PHE 22 -1.265 -6.110 7.790 123 HE1 PHE 22 HE2 PHE 22 1.285 -2.116 6.469 124 HE2 PHE 22 HE1 PHE 22 -1.590 -3.991 8.998 125 HZ PHE 22 HZ PHE 22 -0.313 -1.991 8.339 126 H SER 23 H SER 23 0.169 -9.354 6.102 127 HA SER 23 HA SER 23 1.877 -10.925 4.300 128 HB2 SER 23 1HB SER 23 -0.136 -11.680 6.402 129 HB3 SER 23 2HB SER 23 0.332 -12.831 5.151 130 HG SER 23 HG SER 23 1.906 -13.234 6.496 131 H ARG 24 H ARG 24 -1.491 -9.974 4.851 132 HA ARG 24 HA ARG 24 -2.058 -10.669 2.044 133 HB2 ARG 24 1HB ARG 24 -3.961 -10.729 4.394 134 HB3 ARG 24 2HB ARG 24 -4.395 -11.065 2.723 135 HG2 ARG 24 1HG ARG 24 -2.976 -13.018 2.705 136 HG3 ARG 24 2HG ARG 24 -2.413 -12.654 4.338 137 HD2 ARG 24 1HD ARG 24 -5.014 -12.705 4.842 138 HD3 ARG 24 2HD ARG 24 -5.020 -13.743 3.417 139 HE ARG 24 HE ARG 24 -4.184 -15.397 4.732 140 HH11 ARG 24 1HH1 ARG 24 -3.296 -12.338 6.135 141 HH12 ARG 24 2HH1 ARG 24 -2.520 -13.047 7.512 142 HH21 ARG 24 1HH2 ARG 24 -3.166 -16.343 6.540 143 HH22 ARG 24 2HH2 ARG 24 -2.446 -15.325 7.741 144 H LYS 25 H LYS 25 -2.761 -9.077 0.766 145 HA LYS 25 HA LYS 25 -2.561 -6.441 1.211 146 HB2 LYS 25 1HB LYS 25 -3.186 -7.536 -0.957 147 HB3 LYS 25 2HB LYS 25 -4.844 -7.623 -0.377 148 HG2 LYS 25 1HG LYS 25 -5.071 -5.273 -0.381 149 HG3 LYS 25 2HG LYS 25 -3.335 -5.034 -0.592 150 HD2 LYS 25 1HD LYS 25 -4.125 -4.674 -2.732 151 HD3 LYS 25 2HD LYS 25 -3.695 -6.385 -2.792 152 HE2 LYS 25 1HE LYS 25 -5.857 -6.055 -3.816 153 HE3 LYS 25 2HE LYS 25 -6.045 -6.961 -2.315 154 HZ1 LYS 25 3HZ LYS 25 -6.258 -4.226 -1.741 155 HZ2 LYS 25 1HZ LYS 25 -7.444 -5.424 -1.599 156 HZ3 LYS 25 2HZ LYS 25 -7.278 -4.565 -3.047 157 H ASP 26 H ASP 26 -5.463 -8.356 1.916 158 HA ASP 26 HA ASP 26 -7.241 -6.444 2.690 159 HB2 ASP 26 1HB ASP 26 -7.953 -8.705 2.739 160 HB3 ASP 26 2HB ASP 26 -6.689 -9.159 3.879 161 H GLN 27 H GLN 27 -4.858 -7.970 4.862 162 HA GLN 27 HA GLN 27 -5.395 -6.410 7.110 163 HB2 GLN 27 1HB GLN 27 -2.739 -7.607 6.304 164 HB3 GLN 27 2HB GLN 27 -3.200 -7.106 7.925 165 HG2 GLN 27 1HG GLN 27 -4.220 -9.424 6.326 166 HG3 GLN 27 2HG GLN 27 -3.434 -9.431 7.904 167 HE21 GLN 27 1HE2 GLN 27 -5.970 -10.599 7.109 168 HE22 GLN 27 2HE2 GLN 27 -7.173 -9.886 8.124 169 H LEU 28 H LEU 28 -3.538 -5.714 4.253 170 HA LEU 28 HA LEU 28 -2.150 -3.458 5.342 171 HB2 LEU 28 1HB LEU 28 -1.302 -4.764 3.435 172 HB3 LEU 28 2HB LEU 28 -2.665 -4.205 2.467 173 HG LEU 28 HG LEU 28 -1.663 -1.832 3.111 174 HD11 LEU 28 1HD1 LEU 28 0.125 -2.513 4.498 175 HD12 LEU 28 2HD1 LEU 28 0.849 -2.027 2.965 176 HD13 LEU 28 3HD1 LEU 28 0.651 -3.738 3.344 177 HD21 LEU 28 3HD2 LEU 28 -0.859 -1.714 0.952 178 HD22 LEU 28 1HD2 LEU 28 -1.959 -3.089 0.850 179 HD23 LEU 28 2HD2 LEU 28 -0.221 -3.358 0.985 180 H VAL 29 H VAL 29 -4.950 -3.858 3.189 181 HA VAL 29 HA VAL 29 -5.532 -1.216 2.661 182 HB VAL 29 HB VAL 29 -7.502 -3.454 3.150 183 HG11 VAL 29 1HG1 VAL 29 -8.039 -0.750 2.895 184 HG12 VAL 29 2HG1 VAL 29 -8.299 -1.394 1.272 185 HG13 VAL 29 3HG1 VAL 29 -9.177 -2.074 2.643 186 HG21 VAL 29 3HG2 VAL 29 -5.671 -2.838 0.978 187 HG22 VAL 29 1HG2 VAL 29 -6.594 -4.307 1.298 188 HG23 VAL 29 2HG2 VAL 29 -7.345 -2.963 0.437 189 H SER 30 H SER 30 -6.949 -3.161 5.298 190 HA SER 30 HA SER 30 -8.416 -1.224 6.561 191 HB2 SER 30 1HB SER 30 -8.466 -3.559 7.263 192 HB3 SER 30 2HB SER 30 -6.810 -3.441 7.856 193 HG SER 30 HG SER 30 -7.475 -2.329 9.559 194 H HIS 31 H HIS 31 -4.976 -1.952 7.062 195 HA HIS 31 HA HIS 31 -4.511 -0.034 9.062 196 HB2 HIS 31 1HB HIS 31 -2.901 -1.777 8.714 197 HB3 HIS 31 2HB HIS 31 -2.657 -1.295 7.038 198 HD1 HIS 31 HD1 HIS 31 -2.360 0.512 10.385 199 HD2 HIS 31 HD2 HIS 31 -0.304 -0.008 6.813 200 HE1 HIS 31 HE1 HIS 31 -0.260 1.876 10.614 201 H GLN 32 H GLN 32 -3.695 0.135 5.590 202 HA GLN 32 HA GLN 32 -2.730 2.636 5.349 203 HB2 GLN 32 1HB GLN 32 -4.654 1.164 3.565 204 HB3 GLN 32 2HB GLN 32 -4.022 2.744 3.125 205 HG2 GLN 32 1HG GLN 32 -1.710 1.712 3.494 206 HG3 GLN 32 2HG GLN 32 -2.546 0.161 3.452 207 HE21 GLN 32 1HE2 GLN 32 -0.832 0.202 1.604 208 HE22 GLN 32 2HE2 GLN 32 -1.461 0.617 0.050 209 H LYS 33 H LYS 33 -6.140 1.802 5.735 210 HA LYS 33 HA LYS 33 -7.459 4.104 5.256 211 HB2 LYS 33 1HB LYS 33 -7.853 2.444 7.751 212 HB3 LYS 33 2HB LYS 33 -9.043 3.505 7.009 213 HG2 LYS 33 1HG LYS 33 -8.855 2.038 4.950 214 HG3 LYS 33 2HG LYS 33 -7.969 0.902 5.970 215 HD2 LYS 33 1HD LYS 33 -10.084 0.086 6.245 216 HD3 LYS 33 2HD LYS 33 -10.057 1.265 7.558 217 HE2 LYS 33 1HE LYS 33 -10.979 2.095 4.841 218 HE3 LYS 33 2HE LYS 33 -12.068 1.188 5.889 219 HZ1 LYS 33 3HZ LYS 33 -10.959 3.886 6.259 220 HZ2 LYS 33 1HZ LYS 33 -11.394 2.975 7.616 221 HZ3 LYS 33 2HZ LYS 33 -12.552 3.348 6.441 222 H THR 34 H THR 34 -5.719 3.396 8.277 223 HA THR 34 HA THR 34 -6.238 5.722 9.666 224 HB THR 34 HB THR 34 -4.157 5.348 10.891 225 HG1 THR 34 HG1 THR 34 -3.523 3.193 9.183 226 HG21 THR 34 3HG2 THR 34 -5.350 3.776 11.929 227 HG22 THR 34 1HG2 THR 34 -4.644 2.588 10.834 228 HG23 THR 34 2HG2 THR 34 -6.183 3.352 10.434 229 H HIS 35 H HIS 35 -3.844 5.146 7.141 230 HA HIS 35 HA HIS 35 -2.682 7.771 7.399 231 HB2 HIS 35 1HB HIS 35 -2.331 5.676 5.244 232 HB3 HIS 35 2HB HIS 35 -1.358 7.133 5.421 233 HD1 HIS 35 HD1 HIS 35 -0.267 7.231 8.050 234 HD2 HIS 35 HD2 HIS 35 -1.073 3.547 6.305 235 HE1 HIS 35 HE1 HIS 35 1.146 5.570 9.303 236 H SER 36 H SER 36 -3.583 9.552 6.628 237 HA SER 36 HA SER 36 -5.451 9.325 4.365 238 HB2 SER 36 1HB SER 36 -5.238 11.503 6.459 239 HB3 SER 36 2HB SER 36 -6.424 11.444 5.155 240 HG SER 36 HG SER 36 -6.504 10.255 7.557 241 H GLY 37 H GLY 37 -3.954 9.451 2.693 242 HA2 GLY 37 1HA GLY 37 -2.756 12.123 2.353 243 HA3 GLY 37 2HA GLY 37 -1.797 10.681 2.053 244 H GLN 38 H GLN 38 -2.269 12.693 0.139 245 HA GLN 38 HA GLN 38 -4.361 12.289 -1.619 246 HB2 GLN 38 1HB GLN 38 -2.552 14.079 -1.696 247 HB3 GLN 38 2HB GLN 38 -1.544 12.890 -2.511 248 HG2 GLN 38 1HG GLN 38 -2.661 14.438 -4.061 249 HG3 GLN 38 2HG GLN 38 -3.090 12.751 -4.341 250 HE21 GLN 38 1HE2 GLN 38 -5.144 12.463 -4.775 251 HE22 GLN 38 2HE2 GLN 38 -6.462 13.399 -4.165 252 H SER 39 H SER 39 -4.464 11.176 -3.664 253 HA SER 39 HA SER 39 -3.772 8.447 -3.461 254 HB2 SER 39 1HB SER 39 -4.634 9.977 -5.927 255 HB3 SER 39 2HB SER 39 -4.699 8.229 -5.710 256 HG SER 39 HG SER 39 -6.508 8.462 -4.680 257 H GLY 40 H GLY 40 -2.026 7.342 -4.098 258 HA2 GLY 40 1HA GLY 40 0.388 8.535 -4.724 259 HA3 GLY 40 2HA GLY 40 0.002 6.853 -5.058 260 HA PRO 41 HA PRO 41 0.429 7.747 -9.338 261 HB2 PRO 41 1HB PRO 41 -1.010 5.686 -10.364 262 HB3 PRO 41 2HB PRO 41 0.591 5.476 -9.646 263 HG2 PRO 41 1HG PRO 41 -2.105 4.987 -8.439 264 HG3 PRO 41 2HG PRO 41 -0.637 3.997 -8.337 265 HD2 PRO 41 1HD PRO 41 -1.422 5.650 -6.341 266 HD3 PRO 41 2HD PRO 41 0.287 5.313 -6.686 267 H SER 42 H SER 42 -0.925 8.018 -11.342 268 HA SER 42 HA SER 42 -2.826 9.961 -11.072 269 HB2 SER 42 1HB SER 42 -3.530 9.437 -13.376 270 HB3 SER 42 2HB SER 42 -1.774 9.407 -13.217 271 HG SER 42 HG SER 42 -2.027 7.074 -12.936 272 H SER 43 H SER 43 -4.876 10.063 -10.432 273 HA SER 43 HA SER 43 -6.855 9.398 -9.505 274 HB2 SER 43 1HB SER 43 -6.679 7.670 -11.975 275 HB3 SER 43 2HB SER 43 -8.117 7.723 -10.956 276 HG SER 43 HG SER 43 -7.034 10.149 -11.809 277 H GLY 44 H GLY 44 -4.660 8.217 -8.249 278 HA2 GLY 44 1HA GLY 44 -4.797 5.425 -7.984 279 HA3 GLY 44 2HA GLY 44 -4.132 6.528 -6.789 Start of MODEL 6 1 H1 GLY 1 H GLY 1 28.565 -0.234 6.467 2 HA2 GLY 1 1HA GLY 1 29.031 0.117 3.755 3 HA3 GLY 1 2HA GLY 1 28.988 -1.619 4.022 4 H SER 2 H SER 2 27.040 -2.454 5.175 5 HA SER 2 HA SER 2 24.656 -0.797 4.841 6 HB2 SER 2 1HB SER 2 24.845 -1.969 2.712 7 HB3 SER 2 2HB SER 2 25.005 -3.513 3.548 8 HG SER 2 HG SER 2 22.749 -1.840 3.879 9 H SER 3 H SER 3 23.819 -0.821 6.820 10 HA SER 3 HA SER 3 24.160 -3.047 8.605 11 HB2 SER 3 1HB SER 3 23.184 -1.688 10.260 12 HB3 SER 3 2HB SER 3 24.035 -0.544 9.223 13 HG SER 3 HG SER 3 22.085 -0.017 8.254 14 H GLY 4 H GLY 4 22.920 -4.793 8.671 15 HA2 GLY 4 1HA GLY 4 20.307 -4.730 7.347 16 HA3 GLY 4 2HA GLY 4 21.207 -6.173 7.792 17 H SER 5 H SER 5 18.633 -4.196 8.586 18 HA SER 5 HA SER 5 18.467 -5.402 11.269 19 HB2 SER 5 1HB SER 5 17.149 -3.356 11.933 20 HB3 SER 5 2HB SER 5 18.855 -3.057 11.600 21 HG SER 5 HG SER 5 16.598 -2.399 10.051 22 H SER 6 H SER 6 16.591 -4.018 8.588 23 HA SER 6 HA SER 6 14.086 -5.004 9.422 24 HB2 SER 6 1HB SER 6 13.420 -4.617 7.024 25 HB3 SER 6 2HB SER 6 14.167 -3.224 7.807 26 HG SER 6 HG SER 6 14.929 -4.443 5.589 27 H GLY 7 H GLY 7 12.791 -6.589 8.056 28 HA2 GLY 7 1HA GLY 7 14.095 -9.125 8.168 29 HA3 GLY 7 2HA GLY 7 12.460 -8.822 7.598 30 H THR 8 H THR 8 14.807 -10.459 6.576 31 HA THR 8 HA THR 8 15.059 -9.255 3.905 32 HB THR 8 HB THR 8 16.669 -11.559 5.011 33 HG1 THR 8 HG1 THR 8 18.304 -9.738 5.098 34 HG21 THR 8 3HG2 THR 8 18.160 -11.139 3.184 35 HG22 THR 8 1HG2 THR 8 17.275 -9.685 2.725 36 HG23 THR 8 2HG2 THR 8 16.531 -11.272 2.525 37 H GLY 9 H GLY 9 13.039 -9.903 3.097 38 HA2 GLY 9 1HA GLY 9 13.009 -12.568 2.017 39 HA3 GLY 9 2HA GLY 9 11.778 -12.317 3.246 40 H GLU 10 H GLU 10 10.036 -12.512 1.868 41 HA GLU 10 HA GLU 10 9.847 -10.555 -0.316 42 HB2 GLU 10 1HB GLU 10 9.504 -12.861 -1.009 43 HB3 GLU 10 2HB GLU 10 8.258 -13.071 0.213 44 HG2 GLU 10 1HG GLU 10 6.696 -11.919 -0.973 45 HG3 GLU 10 2HG GLU 10 7.892 -10.904 -1.777 46 H ASN 11 H ASN 11 8.757 -8.763 0.104 47 HA ASN 11 HA ASN 11 6.406 -8.920 1.866 48 HB2 ASN 11 1HB ASN 11 8.312 -6.577 1.822 49 HB3 ASN 11 2HB ASN 11 6.982 -6.859 2.941 50 HD21 ASN 11 1HD2 ASN 11 7.176 -8.963 4.183 51 HD22 ASN 11 2HD2 ASN 11 8.741 -9.336 4.813 52 HA PRO 12 HA PRO 12 5.208 -7.083 -2.192 53 HB2 PRO 12 1HB PRO 12 2.802 -8.338 -2.290 54 HB3 PRO 12 2HB PRO 12 4.300 -9.087 -2.856 55 HG2 PRO 12 1HG PRO 12 2.866 -9.449 -0.253 56 HG3 PRO 12 2HG PRO 12 3.618 -10.671 -1.296 57 HD2 PRO 12 1HD PRO 12 4.825 -9.711 0.930 58 HD3 PRO 12 2HD PRO 12 5.736 -10.222 -0.506 59 H TYR 13 H TYR 13 4.007 -7.044 1.001 60 HA TYR 13 HA TYR 13 2.285 -4.747 0.342 61 HB2 TYR 13 1HB TYR 13 1.749 -6.540 2.695 62 HB3 TYR 13 2HB TYR 13 0.659 -5.409 1.902 63 HD1 TYR 13 HD2 TYR 13 0.289 -5.999 -0.707 64 HD2 TYR 13 HD1 TYR 13 1.356 -8.778 2.333 65 HE1 TYR 13 HE2 TYR 13 -0.627 -7.831 -2.069 66 HE2 TYR 13 HE1 TYR 13 0.444 -10.618 0.979 67 HH TYR 13 HH TYR 13 -0.007 -11.065 -1.453 68 H GLU 14 H GLU 14 3.923 -3.264 0.788 69 HA GLU 14 HA GLU 14 4.710 -3.105 3.624 70 HB2 GLU 14 1HB GLU 14 6.611 -3.614 2.118 71 HB3 GLU 14 2HB GLU 14 6.284 -2.130 1.234 72 HG2 GLU 14 1HG GLU 14 6.723 -0.837 3.276 73 HG3 GLU 14 2HG GLU 14 7.109 -2.336 4.120 74 H CYS 15 H CYS 15 3.293 -1.663 4.437 75 HA CYS 15 HA CYS 15 1.961 0.385 3.253 76 HB2 CYS 15 1HB CYS 15 1.758 -0.370 5.648 77 HB3 CYS 15 2HB CYS 15 3.177 0.607 6.010 78 H CYS 16 H CYS 16 2.769 1.842 1.887 79 HA CYS 16 HA CYS 16 5.410 2.971 2.295 80 HB2 CYS 16 1HB CYS 16 3.367 3.095 0.103 81 HB3 CYS 16 2HB CYS 16 4.670 4.277 0.152 82 H GLU 17 H GLU 17 3.532 3.611 4.317 83 HA GLU 17 HA GLU 17 3.343 6.523 3.930 84 HB2 GLU 17 1HB GLU 17 1.322 4.668 5.179 85 HB3 GLU 17 2HB GLU 17 1.317 6.401 5.471 86 HG2 GLU 17 1HG GLU 17 1.244 5.285 2.694 87 HG3 GLU 17 2HG GLU 17 -0.222 5.478 3.655 88 H CYS 18 H CYS 18 3.664 3.848 6.212 89 HA CYS 18 HA CYS 18 4.998 5.701 8.076 90 HB2 CYS 18 1HB CYS 18 4.175 4.356 9.935 91 HB3 CYS 18 2HB CYS 18 2.825 4.925 8.958 92 H GLY 19 H GLY 19 4.797 2.333 6.962 93 HA2 GLY 19 1HA GLY 19 6.958 1.363 6.226 94 HA3 GLY 19 2HA GLY 19 7.647 2.041 7.694 95 H LYS 20 H LYS 20 4.743 0.102 6.969 96 HA LYS 20 HA LYS 20 5.725 -1.918 8.867 97 HB2 LYS 20 1HB LYS 20 3.093 -0.498 8.850 98 HB3 LYS 20 2HB LYS 20 3.157 -2.169 9.394 99 HG2 LYS 20 1HG LYS 20 4.910 -1.493 11.032 100 HG3 LYS 20 2HG LYS 20 4.625 0.184 10.560 101 HD2 LYS 20 1HD LYS 20 3.251 -0.013 12.400 102 HD3 LYS 20 2HD LYS 20 2.132 -0.396 11.089 103 HE2 LYS 20 1HE LYS 20 2.542 -2.794 11.477 104 HE3 LYS 20 2HE LYS 20 3.603 -2.380 12.823 105 HZ1 LYS 20 3HZ LYS 20 1.866 -2.137 14.158 106 HZ2 LYS 20 1HZ LYS 20 0.892 -2.790 12.938 107 HZ3 LYS 20 2HZ LYS 20 1.068 -1.113 13.073 108 H VAL 21 H VAL 21 5.648 -3.939 8.114 109 HA VAL 21 HA VAL 21 4.432 -4.406 5.509 110 HB VAL 21 HB VAL 21 6.114 -6.280 7.179 111 HG11 VAL 21 1HG1 VAL 21 4.938 -7.597 5.646 112 HG12 VAL 21 2HG1 VAL 21 5.065 -6.386 4.369 113 HG13 VAL 21 3HG1 VAL 21 6.489 -7.302 4.861 114 HG21 VAL 21 3HG2 VAL 21 6.819 -4.125 5.253 115 HG22 VAL 21 1HG2 VAL 21 7.646 -4.647 6.721 116 HG23 VAL 21 2HG2 VAL 21 7.781 -5.603 5.245 117 H PHE 22 H PHE 22 3.183 -6.378 5.119 118 HA PHE 22 HA PHE 22 1.743 -7.384 7.467 119 HB2 PHE 22 1HB PHE 22 0.458 -6.267 4.968 120 HB3 PHE 22 2HB PHE 22 -0.403 -7.195 6.191 121 HD1 PHE 22 HD2 PHE 22 1.473 -4.069 5.595 122 HD2 PHE 22 HD1 PHE 22 -1.181 -6.184 8.164 123 HE1 PHE 22 HE2 PHE 22 1.064 -2.003 6.868 124 HE2 PHE 22 HE1 PHE 22 -1.595 -4.122 9.441 125 HZ PHE 22 HZ PHE 22 -0.471 -2.028 8.794 126 H SER 23 H SER 23 0.375 -9.312 6.897 127 HA SER 23 HA SER 23 1.974 -11.127 5.313 128 HB2 SER 23 1HB SER 23 0.742 -11.560 7.602 129 HB3 SER 23 2HB SER 23 -0.630 -11.926 6.557 130 HG SER 23 HG SER 23 1.568 -13.412 7.086 131 H ARG 24 H ARG 24 -1.406 -10.013 5.311 132 HA ARG 24 HA ARG 24 -1.552 -10.774 2.468 133 HB2 ARG 24 1HB ARG 24 -3.824 -10.795 4.462 134 HB3 ARG 24 2HB ARG 24 -3.920 -11.262 2.770 135 HG2 ARG 24 1HG ARG 24 -2.726 -13.227 3.115 136 HG3 ARG 24 2HG ARG 24 -2.057 -12.661 4.647 137 HD2 ARG 24 1HD ARG 24 -3.695 -14.226 5.251 138 HD3 ARG 24 2HD ARG 24 -4.458 -12.657 5.501 139 HE ARG 24 HE ARG 24 -5.986 -13.201 3.898 140 HH11 ARG 24 1HH1 ARG 24 -3.205 -15.263 3.536 141 HH12 ARG 24 2HH1 ARG 24 -3.929 -16.244 2.306 142 HH21 ARG 24 1HH2 ARG 24 -6.951 -14.486 2.279 143 HH22 ARG 24 2HH2 ARG 24 -6.060 -15.801 1.591 144 H LYS 25 H LYS 25 -2.251 -9.265 1.060 145 HA LYS 25 HA LYS 25 -2.072 -6.613 1.414 146 HB2 LYS 25 1HB LYS 25 -2.456 -7.467 -0.780 147 HB3 LYS 25 2HB LYS 25 -4.030 -8.108 -0.327 148 HG2 LYS 25 1HG LYS 25 -4.305 -6.128 -1.670 149 HG3 LYS 25 2HG LYS 25 -4.856 -5.811 -0.023 150 HD2 LYS 25 1HD LYS 25 -3.609 -3.931 -0.369 151 HD3 LYS 25 2HD LYS 25 -2.351 -4.995 0.264 152 HE2 LYS 25 1HE LYS 25 -1.414 -3.995 -1.646 153 HE3 LYS 25 2HE LYS 25 -1.876 -5.619 -2.152 154 HZ1 LYS 25 3HZ LYS 25 -3.599 -3.247 -2.583 155 HZ2 LYS 25 1HZ LYS 25 -3.764 -4.785 -3.268 156 HZ3 LYS 25 2HZ LYS 25 -2.476 -3.789 -3.726 157 H ASP 26 H ASP 26 -5.113 -8.420 1.833 158 HA ASP 26 HA ASP 26 -6.907 -6.530 2.459 159 HB2 ASP 26 1HB ASP 26 -7.247 -9.019 2.605 160 HB3 ASP 26 2HB ASP 26 -6.518 -8.964 4.207 161 H GLN 27 H GLN 27 -4.757 -7.928 4.943 162 HA GLN 27 HA GLN 27 -5.422 -6.245 7.029 163 HB2 GLN 27 1HB GLN 27 -2.627 -7.259 6.517 164 HB3 GLN 27 2HB GLN 27 -3.368 -6.893 8.069 165 HG2 GLN 27 1HG GLN 27 -5.075 -8.753 7.274 166 HG3 GLN 27 2HG GLN 27 -3.680 -9.268 6.327 167 HE21 GLN 27 1HE2 GLN 27 -2.948 -11.008 7.347 168 HE22 GLN 27 2HE2 GLN 27 -2.538 -11.090 9.023 169 H LEU 28 H LEU 28 -3.230 -5.692 4.344 170 HA LEU 28 HA LEU 28 -2.068 -3.309 5.369 171 HB2 LEU 28 1HB LEU 28 -1.082 -4.736 3.584 172 HB3 LEU 28 2HB LEU 28 -2.340 -4.162 2.492 173 HG LEU 28 HG LEU 28 -1.330 -1.803 3.200 174 HD11 LEU 28 1HD1 LEU 28 1.177 -2.072 3.247 175 HD12 LEU 28 2HD1 LEU 28 0.903 -3.774 3.616 176 HD13 LEU 28 3HD1 LEU 28 0.326 -2.528 4.723 177 HD21 LEU 28 3HD2 LEU 28 -0.037 -1.850 1.157 178 HD22 LEU 28 1HD2 LEU 28 -1.552 -2.722 0.922 179 HD23 LEU 28 2HD2 LEU 28 -0.049 -3.614 1.156 180 H VAL 29 H VAL 29 -4.736 -3.951 3.122 181 HA VAL 29 HA VAL 29 -5.329 -1.327 2.406 182 HB VAL 29 HB VAL 29 -7.236 -3.646 2.746 183 HG11 VAL 29 1HG1 VAL 29 -8.448 -1.547 2.721 184 HG12 VAL 29 2HG1 VAL 29 -7.583 -1.039 1.269 185 HG13 VAL 29 3HG1 VAL 29 -8.696 -2.406 1.201 186 HG21 VAL 29 3HG2 VAL 29 -6.283 -4.488 0.925 187 HG22 VAL 29 1HG2 VAL 29 -6.723 -3.030 0.035 188 HG23 VAL 29 2HG2 VAL 29 -5.164 -3.126 0.855 189 H SER 30 H SER 30 -6.684 -3.272 5.063 190 HA SER 30 HA SER 30 -8.390 -1.296 6.085 191 HB2 SER 30 1HB SER 30 -8.637 -3.616 6.747 192 HB3 SER 30 2HB SER 30 -7.037 -3.612 7.487 193 HG SER 30 HG SER 30 -8.556 -3.306 9.093 194 H HIS 31 H HIS 31 -4.974 -1.857 6.505 195 HA HIS 31 HA HIS 31 -4.674 -0.112 8.759 196 HB2 HIS 31 1HB HIS 31 -3.040 -1.828 8.516 197 HB3 HIS 31 2HB HIS 31 -2.704 -1.369 6.849 198 HD1 HIS 31 HD1 HIS 31 -2.514 0.384 10.232 199 HD2 HIS 31 HD2 HIS 31 -0.387 -0.009 6.685 200 HE1 HIS 31 HE1 HIS 31 -0.431 1.758 10.541 201 H GLN 32 H GLN 32 -3.347 0.173 5.458 202 HA GLN 32 HA GLN 32 -2.475 2.701 5.404 203 HB2 GLN 32 1HB GLN 32 -4.071 1.234 3.316 204 HB3 GLN 32 2HB GLN 32 -3.412 2.836 3.014 205 HG2 GLN 32 1HG GLN 32 -1.172 1.764 3.784 206 HG3 GLN 32 2HG GLN 32 -1.988 0.247 3.410 207 HE21 GLN 32 1HE2 GLN 32 -0.232 0.078 1.833 208 HE22 GLN 32 2HE2 GLN 32 -0.435 0.818 0.285 209 H LYS 33 H LYS 33 -5.820 1.747 5.619 210 HA LYS 33 HA LYS 33 -7.204 3.977 4.870 211 HB2 LYS 33 1HB LYS 33 -7.638 2.053 7.138 212 HB3 LYS 33 2HB LYS 33 -8.752 3.385 6.860 213 HG2 LYS 33 1HG LYS 33 -8.723 2.405 4.399 214 HG3 LYS 33 2HG LYS 33 -8.286 0.931 5.266 215 HD2 LYS 33 1HD LYS 33 -10.568 2.537 6.295 216 HD3 LYS 33 2HD LYS 33 -10.813 1.596 4.822 217 HE2 LYS 33 1HE LYS 33 -10.239 -0.433 5.936 218 HE3 LYS 33 2HE LYS 33 -9.691 0.438 7.367 219 HZ1 LYS 33 3HZ LYS 33 -11.978 1.183 7.719 220 HZ2 LYS 33 1HZ LYS 33 -11.866 -0.505 7.734 221 HZ3 LYS 33 2HZ LYS 33 -12.487 0.289 6.377 222 H THR 34 H THR 34 -5.810 3.412 8.101 223 HA THR 34 HA THR 34 -6.519 5.818 9.279 224 HB THR 34 HB THR 34 -5.442 3.838 10.423 225 HG1 THR 34 HG1 THR 34 -4.848 6.534 10.861 226 HG21 THR 34 3HG2 THR 34 -3.535 3.390 9.109 227 HG22 THR 34 1HG2 THR 34 -2.909 4.066 10.612 228 HG23 THR 34 2HG2 THR 34 -3.002 5.070 9.165 229 H HIS 35 H HIS 35 -4.130 5.174 6.871 230 HA HIS 35 HA HIS 35 -2.783 7.724 7.285 231 HB2 HIS 35 1HB HIS 35 -2.307 5.546 5.239 232 HB3 HIS 35 2HB HIS 35 -1.311 6.985 5.439 233 HD1 HIS 35 HD1 HIS 35 -0.864 7.067 8.415 234 HD2 HIS 35 HD2 HIS 35 -0.787 3.539 6.222 235 HE1 HIS 35 HE1 HIS 35 0.494 5.454 9.785 236 H SER 36 H SER 36 -2.485 9.212 5.466 237 HA SER 36 HA SER 36 -4.792 9.215 3.633 238 HB2 SER 36 1HB SER 36 -3.691 11.414 5.349 239 HB3 SER 36 2HB SER 36 -4.485 11.812 3.825 240 HG SER 36 HG SER 36 -5.763 10.049 5.583 241 H GLY 37 H GLY 37 -4.071 8.903 1.634 242 HA2 GLY 37 1HA GLY 37 -1.422 9.205 0.785 243 HA3 GLY 37 2HA GLY 37 -2.817 9.088 -0.278 244 H GLN 38 H GLN 38 -3.415 10.838 -1.409 245 HA GLN 38 HA GLN 38 -1.815 13.002 -1.819 246 HB2 GLN 38 1HB GLN 38 -3.992 12.226 -3.030 247 HB3 GLN 38 2HB GLN 38 -4.788 13.363 -1.950 248 HG2 GLN 38 1HG GLN 38 -2.725 13.935 -4.052 249 HG3 GLN 38 2HG GLN 38 -4.387 14.516 -3.962 250 HE21 GLN 38 1HE2 GLN 38 -4.897 15.905 -2.081 251 HE22 GLN 38 2HE2 GLN 38 -3.690 17.021 -1.550 252 H SER 39 H SER 39 -1.027 14.355 -0.346 253 HA SER 39 HA SER 39 -2.824 15.358 1.757 254 HB2 SER 39 1HB SER 39 0.161 14.998 1.632 255 HB3 SER 39 2HB SER 39 -0.573 16.088 2.808 256 HG SER 39 HG SER 39 -1.612 13.506 2.588 257 H GLY 40 H GLY 40 -3.802 17.033 0.633 258 HA2 GLY 40 1HA GLY 40 -2.981 19.556 0.786 259 HA3 GLY 40 2HA GLY 40 -2.125 19.038 -0.658 260 HA PRO 41 HA PRO 41 -6.913 18.969 -1.539 261 HB2 PRO 41 1HB PRO 41 -8.360 20.611 0.067 262 HB3 PRO 41 2HB PRO 41 -8.094 18.902 0.431 263 HG2 PRO 41 1HG PRO 41 -6.683 21.310 1.512 264 HG3 PRO 41 2HG PRO 41 -7.248 19.865 2.371 265 HD2 PRO 41 1HD PRO 41 -4.661 20.214 1.651 266 HD3 PRO 41 2HD PRO 41 -5.425 18.613 1.722 267 H SER 42 H SER 42 -4.892 21.613 -0.717 268 HA SER 42 HA SER 42 -6.312 23.743 -1.886 269 HB2 SER 42 1HB SER 42 -4.305 24.988 -1.728 270 HB3 SER 42 2HB SER 42 -4.240 23.852 -0.381 271 HG SER 42 HG SER 42 -2.321 23.529 -1.264 272 H SER 43 H SER 43 -5.466 24.948 -3.856 273 HA SER 43 HA SER 43 -5.579 23.139 -6.101 274 HB2 SER 43 1HB SER 43 -5.636 26.128 -5.790 275 HB3 SER 43 2HB SER 43 -5.404 25.400 -7.380 276 HG SER 43 HG SER 43 -7.669 25.649 -5.919 277 H GLY 44 H GLY 44 -3.370 25.815 -5.245 278 HA2 GLY 44 1HA GLY 44 -0.999 24.364 -5.555 279 HA3 GLY 44 2HA GLY 44 -1.381 25.092 -7.109 Start of MODEL 7 1 H1 GLY 1 H GLY 1 24.954 -5.476 6.789 2 HA2 GLY 1 1HA GLY 1 24.609 -5.503 4.095 3 HA3 GLY 1 2HA GLY 1 26.353 -5.377 4.271 4 H SER 2 H SER 2 27.442 -7.222 4.349 5 HA SER 2 HA SER 2 26.284 -9.722 4.096 6 HB2 SER 2 1HB SER 2 28.696 -9.071 3.629 7 HB3 SER 2 2HB SER 2 28.989 -9.252 5.358 8 HG SER 2 HG SER 2 27.848 -11.435 4.835 9 H SER 3 H SER 3 27.689 -8.270 7.029 10 HA SER 3 HA SER 3 26.388 -10.355 8.631 11 HB2 SER 3 1HB SER 3 28.845 -9.917 8.932 12 HB3 SER 3 2HB SER 3 28.429 -8.315 9.541 13 HG SER 3 HG SER 3 26.997 -9.654 11.032 14 H GLY 4 H GLY 4 24.300 -9.697 8.875 15 HA2 GLY 4 1HA GLY 4 22.887 -8.562 10.485 16 HA3 GLY 4 2HA GLY 4 23.922 -7.152 10.318 17 H SER 5 H SER 5 21.862 -9.259 8.313 18 HA SER 5 HA SER 5 21.425 -7.328 6.298 19 HB2 SER 5 1HB SER 5 20.090 -9.902 7.068 20 HB3 SER 5 2HB SER 5 19.350 -8.863 5.851 21 HG SER 5 HG SER 5 20.993 -9.227 4.511 22 H SER 6 H SER 6 19.999 -5.707 6.115 23 HA SER 6 HA SER 6 18.024 -5.380 8.279 24 HB2 SER 6 1HB SER 6 18.223 -2.919 7.826 25 HB3 SER 6 2HB SER 6 19.701 -3.655 8.447 26 HG SER 6 HG SER 6 19.476 -2.237 6.284 27 H GLY 7 H GLY 7 18.631 -4.361 4.909 28 HA2 GLY 7 1HA GLY 7 17.209 -4.137 3.122 29 HA3 GLY 7 2HA GLY 7 16.250 -5.405 3.870 30 H THR 8 H THR 8 14.913 -3.552 2.481 31 HA THR 8 HA THR 8 13.881 -1.633 4.456 32 HB THR 8 HB THR 8 14.639 -0.674 2.304 33 HG1 THR 8 HG1 THR 8 11.858 -0.554 2.905 34 HG21 THR 8 3HG2 THR 8 12.279 -1.949 0.971 35 HG22 THR 8 1HG2 THR 8 13.828 -2.789 1.028 36 HG23 THR 8 2HG2 THR 8 13.707 -1.213 0.245 37 H GLY 9 H GLY 9 12.852 -4.068 2.087 38 HA2 GLY 9 1HA GLY 9 10.717 -4.972 3.718 39 HA3 GLY 9 2HA GLY 9 10.100 -3.910 2.460 40 H GLU 10 H GLU 10 10.683 -7.056 3.230 41 HA GLU 10 HA GLU 10 10.984 -7.835 0.404 42 HB2 GLU 10 1HB GLU 10 11.822 -9.236 2.938 43 HB3 GLU 10 2HB GLU 10 11.715 -10.071 1.395 44 HG2 GLU 10 1HG GLU 10 13.308 -7.569 1.541 45 HG3 GLU 10 2HG GLU 10 13.974 -9.039 2.250 46 H ASN 11 H ASN 11 8.487 -7.080 1.414 47 HA ASN 11 HA ASN 11 7.075 -9.665 1.393 48 HB2 ASN 11 1HB ASN 11 6.713 -7.302 3.172 49 HB3 ASN 11 2HB ASN 11 5.270 -8.177 2.671 50 HD21 ASN 11 1HD2 ASN 11 8.471 -8.649 4.090 51 HD22 ASN 11 2HD2 ASN 11 8.019 -9.974 5.103 52 HA PRO 12 HA PRO 12 4.833 -8.186 -2.081 53 HB2 PRO 12 1HB PRO 12 2.461 -9.462 -1.739 54 HB3 PRO 12 2HB PRO 12 3.937 -10.296 -2.242 55 HG2 PRO 12 1HG PRO 12 2.694 -10.118 0.476 56 HG3 PRO 12 2HG PRO 12 3.407 -11.522 -0.339 57 HD2 PRO 12 1HD PRO 12 4.736 -10.100 1.542 58 HD3 PRO 12 2HD PRO 12 5.561 -10.890 0.184 59 H TYR 13 H TYR 13 3.920 -7.428 1.097 60 HA TYR 13 HA TYR 13 2.254 -5.230 0.119 61 HB2 TYR 13 1HB TYR 13 1.422 -6.866 2.513 62 HB3 TYR 13 2HB TYR 13 0.498 -5.622 1.678 63 HD1 TYR 13 HD2 TYR 13 -0.289 -6.099 -0.690 64 HD2 TYR 13 HD1 TYR 13 1.257 -9.122 1.875 65 HE1 TYR 13 HE2 TYR 13 -1.348 -7.821 -2.090 66 HE2 TYR 13 HE1 TYR 13 0.202 -10.852 0.481 67 HH TYR 13 HH TYR 13 -1.897 -10.867 -1.160 68 H GLU 14 H GLU 14 3.508 -3.558 0.683 69 HA GLU 14 HA GLU 14 4.319 -3.363 3.506 70 HB2 GLU 14 1HB GLU 14 6.263 -3.861 2.031 71 HB3 GLU 14 2HB GLU 14 5.933 -2.378 1.148 72 HG2 GLU 14 1HG GLU 14 6.332 -2.249 4.094 73 HG3 GLU 14 2HG GLU 14 7.731 -2.443 3.040 74 H CYS 15 H CYS 15 3.667 -1.571 4.507 75 HA CYS 15 HA CYS 15 2.189 0.416 3.017 76 HB2 CYS 15 1HB CYS 15 1.471 -0.508 5.259 77 HB3 CYS 15 2HB CYS 15 2.795 0.404 5.976 78 H CYS 16 H CYS 16 4.189 1.065 1.826 79 HA CYS 16 HA CYS 16 6.456 2.188 2.734 80 HB2 CYS 16 1HB CYS 16 6.444 3.679 0.807 81 HB3 CYS 16 2HB CYS 16 5.808 2.102 0.352 82 H GLU 17 H GLU 17 3.256 3.637 2.916 83 HA GLU 17 HA GLU 17 3.705 6.226 3.541 84 HB2 GLU 17 1HB GLU 17 1.801 4.291 4.855 85 HB3 GLU 17 2HB GLU 17 1.781 6.017 5.190 86 HG2 GLU 17 1HG GLU 17 0.202 5.931 3.565 87 HG3 GLU 17 2HG GLU 17 1.632 6.176 2.564 88 H CYS 18 H CYS 18 3.571 3.705 6.066 89 HA CYS 18 HA CYS 18 5.224 5.428 7.773 90 HB2 CYS 18 1HB CYS 18 4.480 3.927 9.616 91 HB3 CYS 18 2HB CYS 18 3.149 4.744 8.804 92 H GLY 19 H GLY 19 5.001 2.133 6.498 93 HA2 GLY 19 1HA GLY 19 7.157 1.184 5.732 94 HA3 GLY 19 2HA GLY 19 7.838 1.764 7.244 95 H LYS 20 H LYS 20 4.664 0.324 7.084 96 HA LYS 20 HA LYS 20 5.608 -1.840 8.806 97 HB2 LYS 20 1HB LYS 20 3.497 -0.291 9.164 98 HB3 LYS 20 2HB LYS 20 2.728 -1.465 8.104 99 HG2 LYS 20 1HG LYS 20 3.407 -3.261 9.653 100 HG3 LYS 20 2HG LYS 20 4.080 -2.038 10.734 101 HD2 LYS 20 1HD LYS 20 1.828 -0.997 10.868 102 HD3 LYS 20 2HD LYS 20 1.194 -2.330 9.901 103 HE2 LYS 20 1HE LYS 20 2.721 -2.868 12.419 104 HE3 LYS 20 2HE LYS 20 1.014 -2.432 12.486 105 HZ1 LYS 20 3HZ LYS 20 2.124 -4.707 10.934 106 HZ2 LYS 20 1HZ LYS 20 0.487 -4.311 11.099 107 HZ3 LYS 20 2HZ LYS 20 1.369 -4.840 12.442 108 H VAL 21 H VAL 21 4.728 -4.033 8.457 109 HA VAL 21 HA VAL 21 4.356 -4.629 5.594 110 HB VAL 21 HB VAL 21 5.815 -6.452 7.497 111 HG11 VAL 21 1HG1 VAL 21 5.428 -6.349 4.521 112 HG12 VAL 21 2HG1 VAL 21 6.729 -7.282 5.263 113 HG13 VAL 21 3HG1 VAL 21 5.048 -7.660 5.638 114 HG21 VAL 21 3HG2 VAL 21 6.864 -4.106 7.071 115 HG22 VAL 21 1HG2 VAL 21 7.865 -5.551 6.935 116 HG23 VAL 21 2HG2 VAL 21 7.243 -4.770 5.481 117 H PHE 22 H PHE 22 3.131 -6.524 5.107 118 HA PHE 22 HA PHE 22 1.593 -7.677 7.313 119 HB2 PHE 22 1HB PHE 22 0.299 -6.579 4.810 120 HB3 PHE 22 2HB PHE 22 -0.523 -7.343 6.167 121 HD1 PHE 22 HD2 PHE 22 1.736 -4.473 5.425 122 HD2 PHE 22 HD1 PHE 22 -1.451 -6.008 7.792 123 HE1 PHE 22 HE2 PHE 22 1.481 -2.275 6.501 124 HE2 PHE 22 HE1 PHE 22 -1.712 -3.812 8.871 125 HZ PHE 22 HZ PHE 22 -0.244 -1.942 8.227 126 H SER 23 H SER 23 0.145 -9.504 6.423 127 HA SER 23 HA SER 23 1.837 -11.148 4.693 128 HB2 SER 23 1HB SER 23 -0.266 -11.738 6.744 129 HB3 SER 23 2HB SER 23 0.096 -12.942 5.508 130 HG SER 23 HG SER 23 2.314 -12.780 6.185 131 H ARG 24 H ARG 24 -1.460 -9.924 4.963 132 HA ARG 24 HA ARG 24 -1.888 -10.685 2.151 133 HB2 ARG 24 1HB ARG 24 -3.955 -10.725 4.359 134 HB3 ARG 24 2HB ARG 24 -4.259 -11.078 2.663 135 HG2 ARG 24 1HG ARG 24 -3.015 -13.078 2.751 136 HG3 ARG 24 2HG ARG 24 -2.310 -12.656 4.313 137 HD2 ARG 24 1HD ARG 24 -4.383 -12.967 5.428 138 HD3 ARG 24 2HD ARG 24 -5.261 -13.072 3.902 139 HE ARG 24 HE ARG 24 -3.943 -15.194 5.255 140 HH11 ARG 24 1HH1 ARG 24 -4.691 -13.967 2.084 141 HH12 ARG 24 2HH1 ARG 24 -4.639 -15.524 1.326 142 HH21 ARG 24 1HH2 ARG 24 -3.872 -17.250 4.269 143 HH22 ARG 24 2HH2 ARG 24 -4.175 -17.391 2.570 144 H LYS 25 H LYS 25 -2.995 -9.224 0.865 145 HA LYS 25 HA LYS 25 -2.630 -6.531 1.287 146 HB2 LYS 25 1HB LYS 25 -3.212 -7.640 -0.886 147 HB3 LYS 25 2HB LYS 25 -4.881 -7.724 -0.337 148 HG2 LYS 25 1HG LYS 25 -4.898 -5.826 -1.630 149 HG3 LYS 25 2HG LYS 25 -4.632 -5.159 -0.018 150 HD2 LYS 25 1HD LYS 25 -2.273 -4.947 -0.438 151 HD3 LYS 25 2HD LYS 25 -2.430 -5.785 -1.983 152 HE2 LYS 25 1HE LYS 25 -4.068 -3.892 -2.592 153 HE3 LYS 25 2HE LYS 25 -3.361 -3.037 -1.222 154 HZ1 LYS 25 3HZ LYS 25 -1.353 -2.836 -2.266 155 HZ2 LYS 25 1HZ LYS 25 -2.383 -2.763 -3.606 156 HZ3 LYS 25 2HZ LYS 25 -1.575 -4.202 -3.238 157 H ASP 26 H ASP 26 -5.606 -8.399 1.842 158 HA ASP 26 HA ASP 26 -7.369 -6.494 2.608 159 HB2 ASP 26 1HB ASP 26 -8.106 -8.247 4.407 160 HB3 ASP 26 2HB ASP 26 -8.233 -8.643 2.696 161 H GLN 27 H GLN 27 -4.941 -7.967 4.756 162 HA GLN 27 HA GLN 27 -5.565 -6.426 7.023 163 HB2 GLN 27 1HB GLN 27 -2.921 -7.683 6.271 164 HB3 GLN 27 2HB GLN 27 -3.375 -7.131 7.877 165 HG2 GLN 27 1HG GLN 27 -4.400 -9.481 6.338 166 HG3 GLN 27 2HG GLN 27 -3.692 -9.430 7.951 167 HE21 GLN 27 1HE2 GLN 27 -6.382 -10.243 6.626 168 HE22 GLN 27 2HE2 GLN 27 -7.553 -9.606 7.725 169 H LEU 28 H LEU 28 -3.620 -5.769 4.213 170 HA LEU 28 HA LEU 28 -2.245 -3.518 5.332 171 HB2 LEU 28 1HB LEU 28 -1.350 -4.858 3.465 172 HB3 LEU 28 2HB LEU 28 -2.664 -4.277 2.444 173 HG LEU 28 HG LEU 28 -1.633 -1.922 3.134 174 HD11 LEU 28 1HD1 LEU 28 0.118 -2.558 4.536 175 HD12 LEU 28 2HD1 LEU 28 0.904 -2.251 2.988 176 HD13 LEU 28 3HD1 LEU 28 0.584 -3.908 3.500 177 HD21 LEU 28 3HD2 LEU 28 -1.811 -3.348 0.865 178 HD22 LEU 28 1HD2 LEU 28 -0.057 -3.297 1.050 179 HD23 LEU 28 2HD2 LEU 28 -0.980 -1.795 0.975 180 H VAL 29 H VAL 29 -5.034 -3.948 3.185 181 HA VAL 29 HA VAL 29 -5.558 -1.303 2.560 182 HB VAL 29 HB VAL 29 -7.601 -3.468 3.081 183 HG11 VAL 29 1HG1 VAL 29 -8.459 -1.746 1.049 184 HG12 VAL 29 2HG1 VAL 29 -9.116 -1.892 2.680 185 HG13 VAL 29 3HG1 VAL 29 -7.860 -0.702 2.338 186 HG21 VAL 29 3HG2 VAL 29 -6.659 -2.708 0.359 187 HG22 VAL 29 1HG2 VAL 29 -5.648 -3.766 1.344 188 HG23 VAL 29 2HG2 VAL 29 -7.298 -4.245 0.944 189 H SER 30 H SER 30 -7.078 -3.173 5.194 190 HA SER 30 HA SER 30 -8.528 -1.181 6.388 191 HB2 SER 30 1HB SER 30 -8.765 -3.412 7.198 192 HB3 SER 30 2HB SER 30 -7.059 -3.508 7.633 193 HG SER 30 HG SER 30 -7.439 -1.984 9.259 194 H HIS 31 H HIS 31 -5.114 -1.967 6.949 195 HA HIS 31 HA HIS 31 -4.654 -0.039 8.949 196 HB2 HIS 31 1HB HIS 31 -3.058 -1.786 8.710 197 HB3 HIS 31 2HB HIS 31 -2.813 -1.427 7.004 198 HD1 HIS 31 HD1 HIS 31 -2.332 0.405 10.312 199 HD2 HIS 31 HD2 HIS 31 -0.551 -0.021 6.582 200 HE1 HIS 31 HE1 HIS 31 -0.228 1.779 10.410 201 H GLN 32 H GLN 32 -3.632 0.065 5.529 202 HA GLN 32 HA GLN 32 -2.639 2.529 5.264 203 HB2 GLN 32 1HB GLN 32 -4.553 1.075 3.458 204 HB3 GLN 32 2HB GLN 32 -3.900 2.646 3.012 205 HG2 GLN 32 1HG GLN 32 -1.613 1.689 3.297 206 HG3 GLN 32 2HG GLN 32 -2.367 0.111 3.518 207 HE21 GLN 32 1HE2 GLN 32 -0.621 0.271 1.548 208 HE22 GLN 32 2HE2 GLN 32 -1.395 0.315 0.005 209 H LYS 33 H LYS 33 -6.016 1.794 5.825 210 HA LYS 33 HA LYS 33 -7.316 4.102 5.207 211 HB2 LYS 33 1HB LYS 33 -7.683 2.525 7.761 212 HB3 LYS 33 2HB LYS 33 -8.859 3.623 7.053 213 HG2 LYS 33 1HG LYS 33 -7.842 1.109 5.746 214 HG3 LYS 33 2HG LYS 33 -9.370 1.258 6.617 215 HD2 LYS 33 1HD LYS 33 -9.702 3.277 4.929 216 HD3 LYS 33 2HD LYS 33 -8.578 2.324 3.956 217 HE2 LYS 33 1HE LYS 33 -10.041 0.437 3.988 218 HE3 LYS 33 2HE LYS 33 -11.093 1.202 5.179 219 HZ1 LYS 33 3HZ LYS 33 -12.198 2.251 3.583 220 HZ2 LYS 33 1HZ LYS 33 -11.383 1.285 2.458 221 HZ3 LYS 33 2HZ LYS 33 -10.782 2.817 2.850 222 H THR 34 H THR 34 -5.516 3.493 8.214 223 HA THR 34 HA THR 34 -5.951 5.791 9.605 224 HB THR 34 HB THR 34 -3.634 5.583 10.505 225 HG1 THR 34 HG1 THR 34 -3.372 3.338 8.785 226 HG21 THR 34 3HG2 THR 34 -5.712 3.567 10.518 227 HG22 THR 34 1HG2 THR 34 -4.710 4.155 11.844 228 HG23 THR 34 2HG2 THR 34 -4.123 2.859 10.802 229 H HIS 35 H HIS 35 -3.620 5.358 6.965 230 HA HIS 35 HA HIS 35 -2.773 8.110 7.071 231 HB2 HIS 35 1HB HIS 35 -2.238 6.113 4.870 232 HB3 HIS 35 2HB HIS 35 -1.316 7.565 5.248 233 HD1 HIS 35 HD1 HIS 35 0.096 7.479 7.508 234 HD2 HIS 35 HD2 HIS 35 -1.449 3.851 6.201 235 HE1 HIS 35 HE1 HIS 35 1.366 5.713 8.771 236 H SER 36 H SER 36 -4.753 9.222 6.773 237 HA SER 36 HA SER 36 -6.183 8.858 4.271 238 HB2 SER 36 1HB SER 36 -7.659 10.678 5.188 239 HB3 SER 36 2HB SER 36 -7.552 9.246 6.211 240 HG SER 36 HG SER 36 -6.210 11.720 6.554 241 H GLY 37 H GLY 37 -6.866 11.016 3.167 242 HA2 GLY 37 1HA GLY 37 -4.401 12.593 2.760 243 HA3 GLY 37 2HA GLY 37 -5.549 12.220 1.484 244 H GLN 38 H GLN 38 -4.480 14.655 3.324 245 HA GLN 38 HA GLN 38 -6.917 15.890 4.149 246 HB2 GLN 38 1HB GLN 38 -5.519 17.880 4.540 247 HB3 GLN 38 2HB GLN 38 -4.821 16.433 5.255 248 HG2 GLN 38 1HG GLN 38 -3.377 16.254 3.201 249 HG3 GLN 38 2HG GLN 38 -3.952 17.861 2.760 250 HE21 GLN 38 1HE2 GLN 38 -3.715 19.514 4.545 251 HE22 GLN 38 2HE2 GLN 38 -2.229 19.492 5.426 252 H SER 39 H SER 39 -4.743 16.308 1.380 253 HA SER 39 HA SER 39 -6.499 18.292 0.197 254 HB2 SER 39 1HB SER 39 -3.871 17.079 -0.662 255 HB3 SER 39 2HB SER 39 -4.786 18.182 -1.690 256 HG SER 39 HG SER 39 -4.542 19.783 -0.165 257 H GLY 40 H GLY 40 -8.192 17.759 -1.002 258 HA2 GLY 40 1HA GLY 40 -9.458 16.696 -2.612 259 HA3 GLY 40 2HA GLY 40 -8.039 15.752 -3.039 260 HA PRO 41 HA PRO 41 -10.150 13.416 0.637 261 HB2 PRO 41 1HB PRO 41 -12.604 14.304 1.386 262 HB3 PRO 41 2HB PRO 41 -11.105 14.897 2.112 263 HG2 PRO 41 1HG PRO 41 -12.795 16.138 -0.025 264 HG3 PRO 41 2HG PRO 41 -12.019 16.903 1.374 265 HD2 PRO 41 1HD PRO 41 -10.972 17.026 -1.120 266 HD3 PRO 41 2HD PRO 41 -9.962 17.000 0.339 267 H SER 42 H SER 42 -12.654 14.868 -1.454 268 HA SER 42 HA SER 42 -13.814 12.243 -1.926 269 HB2 SER 42 1HB SER 42 -15.369 14.058 -1.536 270 HB3 SER 42 2HB SER 42 -14.646 15.008 -2.834 271 HG SER 42 HG SER 42 -15.506 13.655 -4.320 272 H SER 43 H SER 43 -12.457 11.112 -3.241 273 HA SER 43 HA SER 43 -11.917 12.286 -5.891 274 HB2 SER 43 1HB SER 43 -10.206 10.478 -4.188 275 HB3 SER 43 2HB SER 43 -9.938 10.660 -5.922 276 HG SER 43 HG SER 43 -9.595 12.867 -5.589 277 H GLY 44 H GLY 44 -13.933 11.418 -6.628 278 HA2 GLY 44 1HA GLY 44 -14.315 9.571 -8.274 279 HA3 GLY 44 2HA GLY 44 -13.883 8.482 -6.964 Start of MODEL 8 1 H1 GLY 1 H GLY 1 30.444 -3.670 20.009 2 HA2 GLY 1 1HA GLY 1 30.415 -6.615 20.267 3 HA3 GLY 1 2HA GLY 1 28.998 -5.618 20.563 4 H SER 2 H SER 2 28.021 -7.084 18.965 5 HA SER 2 HA SER 2 28.039 -5.861 16.365 6 HB2 SER 2 1HB SER 2 28.505 -8.024 15.162 7 HB3 SER 2 2HB SER 2 29.901 -7.335 15.991 8 HG SER 2 HG SER 2 28.847 -9.741 16.304 9 H SER 3 H SER 3 26.047 -5.925 15.542 10 HA SER 3 HA SER 3 24.298 -8.145 15.743 11 HB2 SER 3 1HB SER 3 24.242 -7.123 18.103 12 HB3 SER 3 2HB SER 3 23.374 -5.777 17.365 13 HG SER 3 HG SER 3 21.865 -7.392 16.577 14 H GLY 4 H GLY 4 22.569 -7.963 14.357 15 HA2 GLY 4 1HA GLY 4 21.573 -5.486 13.381 16 HA3 GLY 4 2HA GLY 4 22.716 -6.178 12.240 17 H SER 5 H SER 5 20.476 -5.944 11.079 18 HA SER 5 HA SER 5 18.674 -8.154 11.595 19 HB2 SER 5 1HB SER 5 17.902 -5.860 10.862 20 HB3 SER 5 2HB SER 5 18.594 -6.211 9.279 21 HG SER 5 HG SER 5 16.286 -7.153 10.446 22 H SER 6 H SER 6 19.710 -10.044 11.118 23 HA SER 6 HA SER 6 20.922 -10.336 8.465 24 HB2 SER 6 1HB SER 6 22.326 -11.083 10.292 25 HB3 SER 6 2HB SER 6 21.034 -12.106 10.918 26 HG SER 6 HG SER 6 21.821 -12.517 8.279 27 H GLY 7 H GLY 7 20.116 -11.669 6.924 28 HA2 GLY 7 1HA GLY 7 18.840 -13.651 6.317 29 HA3 GLY 7 2HA GLY 7 17.735 -13.266 7.628 30 H THR 8 H THR 8 17.243 -13.695 4.745 31 HA THR 8 HA THR 8 16.329 -11.050 3.887 32 HB THR 8 HB THR 8 16.337 -13.670 2.376 33 HG1 THR 8 HG1 THR 8 17.955 -11.461 1.733 34 HG21 THR 8 3HG2 THR 8 16.137 -11.879 0.446 35 HG22 THR 8 1HG2 THR 8 15.377 -10.926 1.720 36 HG23 THR 8 2HG2 THR 8 14.705 -12.494 1.271 37 H GLY 9 H GLY 9 14.178 -10.592 3.410 38 HA2 GLY 9 1HA GLY 9 12.061 -12.432 3.453 39 HA3 GLY 9 2HA GLY 9 12.240 -11.773 5.072 40 H GLU 10 H GLU 10 11.078 -11.235 1.898 41 HA GLU 10 HA GLU 10 10.175 -8.547 2.698 42 HB2 GLU 10 1HB GLU 10 11.056 -9.514 -0.022 43 HB3 GLU 10 2HB GLU 10 10.177 -8.012 0.227 44 HG2 GLU 10 1HG GLU 10 12.010 -7.276 1.746 45 HG3 GLU 10 2HG GLU 10 12.906 -8.719 1.274 46 H ASN 11 H ASN 11 8.069 -7.981 2.216 47 HA ASN 11 HA ASN 11 6.345 -10.210 1.368 48 HB2 ASN 11 1HB ASN 11 5.908 -7.920 3.268 49 HB3 ASN 11 2HB ASN 11 4.542 -8.765 2.546 50 HD21 ASN 11 1HD2 ASN 11 7.538 -9.347 4.334 51 HD22 ASN 11 2HD2 ASN 11 6.938 -10.686 5.246 52 HA PRO 12 HA PRO 12 5.059 -7.991 -2.197 53 HB2 PRO 12 1HB PRO 12 2.525 -8.924 -2.475 54 HB3 PRO 12 2HB PRO 12 3.953 -9.903 -2.828 55 HG2 PRO 12 1HG PRO 12 2.234 -9.874 -0.377 56 HG3 PRO 12 2HG PRO 12 2.910 -11.260 -1.254 57 HD2 PRO 12 1HD PRO 12 4.013 -10.298 1.024 58 HD3 PRO 12 2HD PRO 12 4.982 -11.032 -0.270 59 H TYR 13 H TYR 13 3.884 -7.336 0.842 60 HA TYR 13 HA TYR 13 2.430 -4.984 -0.152 61 HB2 TYR 13 1HB TYR 13 1.539 -6.612 2.233 62 HB3 TYR 13 2HB TYR 13 0.711 -5.234 1.518 63 HD1 TYR 13 HD2 TYR 13 -0.388 -5.467 -0.695 64 HD2 TYR 13 HD1 TYR 13 1.294 -8.808 1.332 65 HE1 TYR 13 HE2 TYR 13 -1.672 -6.984 -2.143 66 HE2 TYR 13 HE1 TYR 13 0.015 -10.335 -0.111 67 HH TYR 13 HH TYR 13 -2.561 -9.423 -1.927 68 H GLU 14 H GLU 14 3.554 -3.270 0.471 69 HA GLU 14 HA GLU 14 4.528 -3.159 3.239 70 HB2 GLU 14 1HB GLU 14 6.303 -3.643 1.348 71 HB3 GLU 14 2HB GLU 14 6.166 -1.912 1.072 72 HG2 GLU 14 1HG GLU 14 6.586 -1.705 3.608 73 HG3 GLU 14 2HG GLU 14 7.176 -3.362 3.482 74 H CYS 15 H CYS 15 3.754 -1.439 4.251 75 HA CYS 15 HA CYS 15 2.300 0.590 2.880 76 HB2 CYS 15 1HB CYS 15 1.505 0.087 5.035 77 HB3 CYS 15 2HB CYS 15 3.114 0.173 5.745 78 H CYS 16 H CYS 16 3.414 1.938 1.593 79 HA CYS 16 HA CYS 16 6.014 2.947 2.351 80 HB2 CYS 16 1HB CYS 16 5.434 2.378 -0.007 81 HB3 CYS 16 2HB CYS 16 4.288 3.714 -0.011 82 H GLU 17 H GLU 17 4.220 3.688 4.268 83 HA GLU 17 HA GLU 17 4.077 6.596 3.862 84 HB2 GLU 17 1HB GLU 17 1.984 5.001 5.342 85 HB3 GLU 17 2HB GLU 17 1.950 6.721 4.981 86 HG2 GLU 17 1HG GLU 17 1.456 6.380 2.751 87 HG3 GLU 17 2HG GLU 17 2.074 4.729 2.762 88 H CYS 18 H CYS 18 4.142 3.926 6.185 89 HA CYS 18 HA CYS 18 5.573 5.699 8.053 90 HB2 CYS 18 1HB CYS 18 4.495 4.591 9.927 91 HB3 CYS 18 2HB CYS 18 3.270 5.244 8.845 92 H GLY 19 H GLY 19 4.978 2.331 7.089 93 HA2 GLY 19 1HA GLY 19 7.128 1.144 6.507 94 HA3 GLY 19 2HA GLY 19 7.677 1.669 8.092 95 H LYS 20 H LYS 20 4.577 0.294 7.022 96 HA LYS 20 HA LYS 20 4.955 -1.836 9.022 97 HB2 LYS 20 1HB LYS 20 2.528 -0.318 8.136 98 HB3 LYS 20 2HB LYS 20 2.350 -1.944 8.784 99 HG2 LYS 20 1HG LYS 20 3.955 0.014 10.335 100 HG3 LYS 20 2HG LYS 20 2.199 0.187 10.323 101 HD2 LYS 20 1HD LYS 20 1.918 -2.042 11.176 102 HD3 LYS 20 2HD LYS 20 3.646 -2.366 11.021 103 HE2 LYS 20 1HE LYS 20 3.425 -1.892 13.276 104 HE3 LYS 20 2HE LYS 20 3.917 -0.337 12.608 105 HZ1 LYS 20 3HZ LYS 20 1.680 -0.852 14.126 106 HZ2 LYS 20 1HZ LYS 20 1.093 -0.612 12.558 107 HZ3 LYS 20 2HZ LYS 20 2.037 0.580 13.299 108 H VAL 21 H VAL 21 5.123 -3.846 8.287 109 HA VAL 21 HA VAL 21 4.457 -4.377 5.482 110 HB VAL 21 HB VAL 21 5.958 -6.224 7.327 111 HG11 VAL 21 1HG1 VAL 21 6.631 -7.350 5.414 112 HG12 VAL 21 2HG1 VAL 21 4.961 -6.917 5.041 113 HG13 VAL 21 3HG1 VAL 21 6.290 -5.976 4.363 114 HG21 VAL 21 3HG2 VAL 21 8.033 -5.273 6.441 115 HG22 VAL 21 1HG2 VAL 21 7.101 -4.054 5.571 116 HG23 VAL 21 2HG2 VAL 21 7.103 -4.070 7.334 117 H PHE 22 H PHE 22 3.201 -6.151 4.861 118 HA PHE 22 HA PHE 22 1.731 -7.541 6.985 119 HB2 PHE 22 1HB PHE 22 0.516 -6.085 4.634 120 HB3 PHE 22 2HB PHE 22 -0.363 -7.272 5.592 121 HD1 PHE 22 HD1 PHE 22 -0.781 -6.827 8.009 122 HD2 PHE 22 HD2 PHE 22 0.803 -3.872 5.386 123 HE1 PHE 22 HE1 PHE 22 -1.402 -5.072 9.617 124 HE2 PHE 22 HE2 PHE 22 0.185 -2.112 6.990 125 HZ PHE 22 HZ PHE 22 -0.919 -2.711 9.109 126 H SER 23 H SER 23 0.550 -9.461 6.169 127 HA SER 23 HA SER 23 2.205 -10.847 4.206 128 HB2 SER 23 1HB SER 23 1.602 -11.807 6.508 129 HB3 SER 23 2HB SER 23 -0.010 -12.075 5.844 130 HG SER 23 HG SER 23 1.437 -13.095 4.046 131 H ARG 24 H ARG 24 -1.148 -9.914 4.763 132 HA ARG 24 HA ARG 24 -1.723 -10.590 1.955 133 HB2 ARG 24 1HB ARG 24 -3.668 -10.827 4.257 134 HB3 ARG 24 2HB ARG 24 -3.978 -11.241 2.576 135 HG2 ARG 24 1HG ARG 24 -2.716 -13.166 2.675 136 HG3 ARG 24 2HG ARG 24 -1.762 -12.594 4.046 137 HD2 ARG 24 1HD ARG 24 -3.185 -14.247 4.925 138 HD3 ARG 24 2HD ARG 24 -3.910 -12.710 5.395 139 HE ARG 24 HE ARG 24 -5.710 -13.169 4.037 140 HH11 ARG 24 1HH1 ARG 24 -3.146 -15.439 3.407 141 HH12 ARG 24 2HH1 ARG 24 -4.128 -16.477 2.428 142 HH21 ARG 24 1HH2 ARG 24 -7.014 -14.528 2.750 143 HH22 ARG 24 2HH2 ARG 24 -6.328 -15.958 2.054 144 H LYS 25 H LYS 25 -2.530 -8.982 0.765 145 HA LYS 25 HA LYS 25 -2.481 -6.367 1.317 146 HB2 LYS 25 1HB LYS 25 -3.288 -7.681 -0.822 147 HB3 LYS 25 2HB LYS 25 -4.886 -7.314 -0.187 148 HG2 LYS 25 1HG LYS 25 -4.473 -4.966 -0.307 149 HG3 LYS 25 2HG LYS 25 -2.775 -5.234 -0.708 150 HD2 LYS 25 1HD LYS 25 -3.273 -5.973 -2.859 151 HD3 LYS 25 2HD LYS 25 -4.949 -6.342 -2.448 152 HE2 LYS 25 1HE LYS 25 -3.926 -3.529 -2.339 153 HE3 LYS 25 2HE LYS 25 -4.432 -4.242 -3.869 154 HZ1 LYS 25 3HZ LYS 25 -6.057 -3.669 -1.475 155 HZ2 LYS 25 1HZ LYS 25 -6.562 -4.826 -2.602 156 HZ3 LYS 25 2HZ LYS 25 -6.338 -3.220 -3.082 157 H ASP 26 H ASP 26 -5.322 -8.420 1.925 158 HA ASP 26 HA ASP 26 -7.172 -6.699 2.843 159 HB2 ASP 26 1HB ASP 26 -6.366 -9.412 3.820 160 HB3 ASP 26 2HB ASP 26 -7.610 -8.519 4.691 161 H GLN 27 H GLN 27 -4.609 -8.041 4.931 162 HA GLN 27 HA GLN 27 -5.199 -6.517 7.196 163 HB2 GLN 27 1HB GLN 27 -2.490 -7.541 6.332 164 HB3 GLN 27 2HB GLN 27 -2.951 -7.075 7.964 165 HG2 GLN 27 1HG GLN 27 -3.843 -9.453 6.376 166 HG3 GLN 27 2HG GLN 27 -3.034 -9.409 7.941 167 HE21 GLN 27 1HE2 GLN 27 -5.809 -10.217 6.621 168 HE22 GLN 27 2HE2 GLN 27 -6.921 -9.791 7.873 169 H LEU 28 H LEU 28 -3.391 -5.738 4.315 170 HA LEU 28 HA LEU 28 -2.144 -3.391 5.361 171 HB2 LEU 28 1HB LEU 28 -1.250 -4.631 3.442 172 HB3 LEU 28 2HB LEU 28 -2.677 -4.196 2.504 173 HG LEU 28 HG LEU 28 -1.866 -1.743 3.065 174 HD11 LEU 28 1HD1 LEU 28 0.565 -3.455 3.442 175 HD12 LEU 28 2HD1 LEU 28 -0.019 -2.119 4.433 176 HD13 LEU 28 3HD1 LEU 28 0.690 -1.798 2.850 177 HD21 LEU 28 3HD2 LEU 28 -0.477 -3.401 0.966 178 HD22 LEU 28 1HD2 LEU 28 -0.810 -1.670 0.922 179 HD23 LEU 28 2HD2 LEU 28 -2.140 -2.826 0.832 180 H VAL 29 H VAL 29 -4.956 -3.954 3.257 181 HA VAL 29 HA VAL 29 -5.727 -1.394 2.692 182 HB VAL 29 HB VAL 29 -7.556 -3.683 3.428 183 HG11 VAL 29 1HG1 VAL 29 -8.542 -1.335 3.423 184 HG12 VAL 29 2HG1 VAL 29 -8.242 -1.335 1.684 185 HG13 VAL 29 3HG1 VAL 29 -9.324 -2.534 2.393 186 HG21 VAL 29 3HG2 VAL 29 -5.945 -3.053 1.062 187 HG22 VAL 29 1HG2 VAL 29 -6.629 -4.589 1.595 188 HG23 VAL 29 2HG2 VAL 29 -7.631 -3.434 0.716 189 H SER 30 H SER 30 -6.866 -3.256 5.517 190 HA SER 30 HA SER 30 -8.302 -1.247 6.760 191 HB2 SER 30 1HB SER 30 -7.987 -3.773 7.375 192 HB3 SER 30 2HB SER 30 -6.691 -3.169 8.408 193 HG SER 30 HG SER 30 -9.435 -2.889 8.649 194 H HIS 31 H HIS 31 -4.845 -1.870 6.807 195 HA HIS 31 HA HIS 31 -4.209 -0.033 8.875 196 HB2 HIS 31 1HB HIS 31 -2.680 -1.835 8.224 197 HB3 HIS 31 2HB HIS 31 -2.479 -1.103 6.635 198 HD1 HIS 31 HD1 HIS 31 -1.808 -0.273 10.279 199 HD2 HIS 31 HD2 HIS 31 -0.419 0.661 6.477 200 HE1 HIS 31 HE1 HIS 31 0.226 1.162 10.640 201 H GLN 32 H GLN 32 -4.100 0.202 5.330 202 HA GLN 32 HA GLN 32 -3.117 2.805 5.148 203 HB2 GLN 32 1HB GLN 32 -4.973 1.296 3.305 204 HB3 GLN 32 2HB GLN 32 -4.222 2.833 2.898 205 HG2 GLN 32 1HG GLN 32 -2.006 1.783 3.189 206 HG3 GLN 32 2HG GLN 32 -2.810 0.240 3.474 207 HE21 GLN 32 1HE2 GLN 32 -1.076 0.206 1.515 208 HE22 GLN 32 2HE2 GLN 32 -1.837 0.232 -0.036 209 H LYS 33 H LYS 33 -6.234 1.647 6.052 210 HA LYS 33 HA LYS 33 -7.896 3.763 5.403 211 HB2 LYS 33 1HB LYS 33 -7.934 2.029 7.880 212 HB3 LYS 33 2HB LYS 33 -9.256 3.070 7.368 213 HG2 LYS 33 1HG LYS 33 -8.209 1.038 5.462 214 HG3 LYS 33 2HG LYS 33 -9.245 0.516 6.793 215 HD2 LYS 33 1HD LYS 33 -10.872 2.311 6.046 216 HD3 LYS 33 2HD LYS 33 -9.888 2.464 4.589 217 HE2 LYS 33 1HE LYS 33 -11.467 0.949 3.893 218 HE3 LYS 33 2HE LYS 33 -10.202 -0.133 4.473 219 HZ1 LYS 33 3HZ LYS 33 -11.892 -1.038 5.613 220 HZ2 LYS 33 1HZ LYS 33 -12.852 0.353 5.539 221 HZ3 LYS 33 2HZ LYS 33 -11.626 0.233 6.697 222 H THR 34 H THR 34 -5.439 3.548 7.853 223 HA THR 34 HA THR 34 -6.273 6.118 8.998 224 HB THR 34 HB THR 34 -5.819 4.240 10.568 225 HG1 THR 34 HG1 THR 34 -5.524 6.434 11.226 226 HG21 THR 34 3HG2 THR 34 -3.267 4.244 9.100 227 HG22 THR 34 1HG2 THR 34 -4.083 2.933 9.951 228 HG23 THR 34 2HG2 THR 34 -3.126 4.108 10.853 229 H HIS 35 H HIS 35 -5.064 5.952 6.373 230 HA HIS 35 HA HIS 35 -2.660 7.564 6.898 231 HB2 HIS 35 1HB HIS 35 -2.979 5.220 5.085 232 HB3 HIS 35 2HB HIS 35 -1.962 6.550 4.540 233 HD1 HIS 35 HD1 HIS 35 -0.084 7.260 6.488 234 HD2 HIS 35 HD2 HIS 35 -1.610 3.396 6.524 235 HE1 HIS 35 HE1 HIS 35 1.564 5.899 7.813 236 H SER 36 H SER 36 -5.270 6.770 4.648 237 HA SER 36 HA SER 36 -4.818 9.196 3.120 238 HB2 SER 36 1HB SER 36 -6.833 6.957 2.873 239 HB3 SER 36 2HB SER 36 -6.847 8.381 1.833 240 HG SER 36 HG SER 36 -4.765 6.472 2.103 241 H GLY 37 H GLY 37 -5.225 10.765 4.744 242 HA2 GLY 37 1HA GLY 37 -7.722 11.926 4.743 243 HA3 GLY 37 2HA GLY 37 -7.710 10.873 6.150 244 H GLN 38 H GLN 38 -5.847 13.466 4.591 245 HA GLN 38 HA GLN 38 -5.154 14.438 7.284 246 HB2 GLN 38 1HB GLN 38 -3.478 14.087 4.853 247 HB3 GLN 38 2HB GLN 38 -3.170 15.505 5.846 248 HG2 GLN 38 1HG GLN 38 -2.964 13.953 7.810 249 HG3 GLN 38 2HG GLN 38 -3.006 12.619 6.659 250 HE21 GLN 38 1HE2 GLN 38 -1.242 15.511 7.597 251 HE22 GLN 38 2HE2 GLN 38 0.284 15.012 6.960 252 H SER 39 H SER 39 -4.889 16.749 7.487 253 HA SER 39 HA SER 39 -6.010 18.767 7.368 254 HB2 SER 39 1HB SER 39 -5.281 20.053 5.409 255 HB3 SER 39 2HB SER 39 -3.956 19.077 6.042 256 HG SER 39 HG SER 39 -4.583 19.111 3.620 257 H GLY 40 H GLY 40 -7.867 16.754 6.965 258 HA2 GLY 40 1HA GLY 40 -9.365 16.871 4.615 259 HA3 GLY 40 2HA GLY 40 -10.007 16.447 6.195 260 HA PRO 41 HA PRO 41 -12.337 20.149 6.372 261 HB2 PRO 41 1HB PRO 41 -12.058 20.941 8.954 262 HB3 PRO 41 2HB PRO 41 -13.016 19.534 8.479 263 HG2 PRO 41 1HG PRO 41 -10.225 19.650 9.555 264 HG3 PRO 41 2HG PRO 41 -11.539 18.535 9.971 265 HD2 PRO 41 1HD PRO 41 -9.530 17.856 8.287 266 HD3 PRO 41 2HD PRO 41 -11.178 17.218 8.115 267 H SER 42 H SER 42 -12.279 22.473 6.665 268 HA SER 42 HA SER 42 -9.785 23.599 5.861 269 HB2 SER 42 1HB SER 42 -12.519 24.695 6.425 270 HB3 SER 42 2HB SER 42 -11.158 25.799 6.232 271 HG SER 42 HG SER 42 -12.407 25.208 4.277 272 H SER 43 H SER 43 -11.813 24.042 8.757 273 HA SER 43 HA SER 43 -9.557 24.190 10.487 274 HB2 SER 43 1HB SER 43 -9.597 26.486 11.111 275 HB3 SER 43 2HB SER 43 -9.561 26.469 9.348 276 HG SER 43 HG SER 43 -11.922 26.712 10.904 277 H GLY 44 H GLY 44 -10.145 24.303 12.709 278 HA2 GLY 44 1HA GLY 44 -12.698 24.785 13.714 279 HA3 GLY 44 2HA GLY 44 -12.627 23.079 13.301 Start of MODEL 9 1 H1 GLY 1 H GLY 1 22.077 1.450 23.442 2 HA2 GLY 1 1HA GLY 1 23.468 0.254 21.777 3 HA3 GLY 1 2HA GLY 1 23.830 -0.899 23.053 4 H SER 2 H SER 2 20.785 0.575 21.942 5 HA SER 2 HA SER 2 19.633 -2.121 21.816 6 HB2 SER 2 1HB SER 2 17.488 -1.114 22.076 7 HB3 SER 2 2HB SER 2 18.551 -0.305 23.228 8 HG SER 2 HG SER 2 17.939 1.459 22.279 9 H SER 3 H SER 3 18.276 -2.711 20.036 10 HA SER 3 HA SER 3 18.677 -1.145 17.584 11 HB2 SER 3 1HB SER 3 19.069 -4.140 17.804 12 HB3 SER 3 2HB SER 3 19.164 -3.193 16.319 13 HG SER 3 HG SER 3 20.780 -2.493 18.503 14 H GLY 4 H GLY 4 16.928 -1.008 16.287 15 HA2 GLY 4 1HA GLY 4 14.595 -2.672 17.016 16 HA3 GLY 4 2HA GLY 4 14.462 -0.979 16.562 17 H SER 5 H SER 5 16.197 -0.938 14.371 18 HA SER 5 HA SER 5 14.476 -2.061 12.368 19 HB2 SER 5 1HB SER 5 17.139 -0.663 12.023 20 HB3 SER 5 2HB SER 5 15.935 -0.947 10.766 21 HG SER 5 HG SER 5 15.864 1.185 11.698 22 H SER 6 H SER 6 14.559 -4.155 11.900 23 HA SER 6 HA SER 6 17.166 -5.514 11.917 24 HB2 SER 6 1HB SER 6 14.365 -6.418 12.419 25 HB3 SER 6 2HB SER 6 15.506 -7.579 11.741 26 HG SER 6 HG SER 6 16.292 -6.057 13.954 27 H GLY 7 H GLY 7 14.166 -5.249 10.023 28 HA2 GLY 7 1HA GLY 7 14.161 -4.950 7.662 29 HA3 GLY 7 2HA GLY 7 15.758 -5.681 7.595 30 H THR 8 H THR 8 12.353 -6.232 7.559 31 HA THR 8 HA THR 8 12.629 -9.124 7.642 32 HB THR 8 HB THR 8 10.141 -9.100 7.258 33 HG1 THR 8 HG1 THR 8 9.877 -7.099 6.275 34 HG21 THR 8 3HG2 THR 8 10.879 -7.364 9.597 35 HG22 THR 8 1HG2 THR 8 11.334 -9.065 9.528 36 HG23 THR 8 2HG2 THR 8 9.632 -8.606 9.496 37 H GLY 9 H GLY 9 14.068 -8.073 5.538 38 HA2 GLY 9 1HA GLY 9 14.385 -8.283 3.274 39 HA3 GLY 9 2HA GLY 9 13.220 -9.596 3.372 40 H GLU 10 H GLU 10 11.627 -9.367 1.965 41 HA GLU 10 HA GLU 10 10.420 -6.715 1.620 42 HB2 GLU 10 1HB GLU 10 10.251 -7.089 -0.812 43 HB3 GLU 10 2HB GLU 10 11.919 -6.995 -0.268 44 HG2 GLU 10 1HG GLU 10 11.730 -9.593 -0.156 45 HG3 GLU 10 2HG GLU 10 10.382 -9.342 -1.265 46 H ASN 11 H ASN 11 8.231 -6.748 0.875 47 HA ASN 11 HA ASN 11 6.873 -9.316 0.768 48 HB2 ASN 11 1HB ASN 11 6.606 -7.373 3.015 49 HB3 ASN 11 2HB ASN 11 5.152 -8.198 2.461 50 HD21 ASN 11 1HD2 ASN 11 8.226 -8.534 4.012 51 HD22 ASN 11 2HD2 ASN 11 8.000 -10.153 4.572 52 HA PRO 12 HA PRO 12 4.466 -7.156 -2.217 53 HB2 PRO 12 1HB PRO 12 2.289 -8.777 -2.275 54 HB3 PRO 12 2HB PRO 12 3.841 -9.227 -2.992 55 HG2 PRO 12 1HG PRO 12 2.679 -10.010 -0.347 56 HG3 PRO 12 2HG PRO 12 3.537 -11.011 -1.532 57 HD2 PRO 12 1HD PRO 12 4.738 -10.033 0.689 58 HD3 PRO 12 2HD PRO 12 5.610 -10.280 -0.838 59 H TYR 13 H TYR 13 3.693 -7.329 1.036 60 HA TYR 13 HA TYR 13 1.498 -5.406 0.672 61 HB2 TYR 13 1HB TYR 13 1.540 -7.429 2.908 62 HB3 TYR 13 2HB TYR 13 0.213 -6.383 2.416 63 HD1 TYR 13 HD2 TYR 13 -0.162 -6.752 -0.354 64 HD2 TYR 13 HD1 TYR 13 1.061 -9.645 2.516 65 HE1 TYR 13 HE2 TYR 13 -1.044 -8.542 -1.792 66 HE2 TYR 13 HE1 TYR 13 0.184 -11.443 1.086 67 HH TYR 13 HH TYR 13 -0.378 -11.857 -1.215 68 H GLU 14 H GLU 14 3.611 -4.108 0.909 69 HA GLU 14 HA GLU 14 4.137 -3.634 3.769 70 HB2 GLU 14 1HB GLU 14 6.109 -4.397 2.485 71 HB3 GLU 14 2HB GLU 14 5.928 -3.015 1.413 72 HG2 GLU 14 1HG GLU 14 6.177 -2.512 4.329 73 HG3 GLU 14 2HG GLU 14 7.616 -2.992 3.430 74 H CYS 15 H CYS 15 3.558 -1.732 4.592 75 HA CYS 15 HA CYS 15 2.193 0.191 2.993 76 HB2 CYS 15 1HB CYS 15 1.599 -0.274 5.351 77 HB3 CYS 15 2HB CYS 15 3.137 0.416 5.858 78 H CYS 16 H CYS 16 3.008 1.840 1.892 79 HA CYS 16 HA CYS 16 5.808 2.575 2.316 80 HB2 CYS 16 1HB CYS 16 4.737 1.994 0.016 81 HB3 CYS 16 2HB CYS 16 4.087 3.628 0.091 82 H GLU 17 H GLU 17 3.478 3.423 4.025 83 HA GLU 17 HA GLU 17 3.715 6.337 3.672 84 HB2 GLU 17 1HB GLU 17 1.601 4.776 5.167 85 HB3 GLU 17 2HB GLU 17 1.649 6.523 4.981 86 HG2 GLU 17 1HG GLU 17 1.593 4.754 2.577 87 HG3 GLU 17 2HG GLU 17 0.109 5.119 3.456 88 H CYS 18 H CYS 18 3.893 3.700 6.004 89 HA CYS 18 HA CYS 18 5.349 5.506 7.820 90 HB2 CYS 18 1HB CYS 18 4.360 4.429 9.732 91 HB3 CYS 18 2HB CYS 18 3.061 4.947 8.663 92 H GLY 19 H GLY 19 4.810 2.132 6.849 93 HA2 GLY 19 1HA GLY 19 6.857 0.905 6.184 94 HA3 GLY 19 2HA GLY 19 7.611 1.582 7.620 95 H LYS 20 H LYS 20 4.702 -0.295 6.761 96 HA LYS 20 HA LYS 20 5.384 -2.175 8.908 97 HB2 LYS 20 1HB LYS 20 2.838 -0.643 8.568 98 HB3 LYS 20 2HB LYS 20 2.771 -2.272 9.227 99 HG2 LYS 20 1HG LYS 20 4.255 -1.635 11.033 100 HG3 LYS 20 2HG LYS 20 4.416 -0.014 10.353 101 HD2 LYS 20 1HD LYS 20 2.178 0.526 10.838 102 HD3 LYS 20 2HD LYS 20 1.743 -1.163 11.110 103 HE2 LYS 20 1HE LYS 20 2.879 -1.231 13.170 104 HE3 LYS 20 2HE LYS 20 3.751 0.263 12.831 105 HZ1 LYS 20 3HZ LYS 20 1.748 1.510 13.077 106 HZ2 LYS 20 1HZ LYS 20 1.906 0.516 14.437 107 HZ3 LYS 20 2HZ LYS 20 0.812 0.107 13.213 108 H VAL 21 H VAL 21 5.504 -4.159 8.113 109 HA VAL 21 HA VAL 21 4.320 -4.772 5.534 110 HB VAL 21 HB VAL 21 5.906 -6.653 7.275 111 HG11 VAL 21 1HG1 VAL 21 5.270 -6.537 4.335 112 HG12 VAL 21 2HG1 VAL 21 6.517 -7.586 5.014 113 HG13 VAL 21 3HG1 VAL 21 4.832 -7.793 5.493 114 HG21 VAL 21 3HG2 VAL 21 7.570 -5.147 7.088 115 HG22 VAL 21 1HG2 VAL 21 7.697 -5.769 5.442 116 HG23 VAL 21 2HG2 VAL 21 6.786 -4.293 5.759 117 H PHE 22 H PHE 22 3.025 -6.671 5.172 118 HA PHE 22 HA PHE 22 1.575 -7.639 7.536 119 HB2 PHE 22 1HB PHE 22 0.383 -6.549 4.987 120 HB3 PHE 22 2HB PHE 22 -0.525 -7.569 6.098 121 HD1 PHE 22 HD2 PHE 22 1.090 -4.304 5.651 122 HD2 PHE 22 HD1 PHE 22 -1.319 -6.728 8.189 123 HE1 PHE 22 HE2 PHE 22 0.503 -2.321 6.983 124 HE2 PHE 22 HE1 PHE 22 -1.910 -4.748 9.524 125 HZ PHE 22 HZ PHE 22 -0.998 -2.541 8.923 126 H SER 23 H SER 23 0.008 -9.495 6.731 127 HA SER 23 HA SER 23 1.704 -11.339 5.196 128 HB2 SER 23 1HB SER 23 0.637 -13.139 6.359 129 HB3 SER 23 2HB SER 23 1.045 -11.923 7.568 130 HG SER 23 HG SER 23 -1.106 -11.235 7.534 131 H ARG 24 H ARG 24 -1.115 -9.511 4.971 132 HA ARG 24 HA ARG 24 -1.795 -10.743 2.447 133 HB2 ARG 24 1HB ARG 24 -3.844 -10.623 4.667 134 HB3 ARG 24 2HB ARG 24 -4.147 -11.125 3.009 135 HG2 ARG 24 1HG ARG 24 -2.628 -13.023 3.314 136 HG3 ARG 24 2HG ARG 24 -2.360 -12.526 4.985 137 HD2 ARG 24 1HD ARG 24 -4.973 -12.643 5.115 138 HD3 ARG 24 2HD ARG 24 -4.792 -13.699 3.716 139 HE ARG 24 HE ARG 24 -3.897 -15.317 5.083 140 HH11 ARG 24 1HH1 ARG 24 -4.084 -12.297 6.803 141 HH12 ARG 24 2HH1 ARG 24 -3.704 -12.999 8.341 142 HH21 ARG 24 1HH2 ARG 24 -3.395 -16.254 7.101 143 HH22 ARG 24 2HH2 ARG 24 -3.311 -15.249 8.509 144 H LYS 25 H LYS 25 -2.397 -9.224 1.039 145 HA LYS 25 HA LYS 25 -2.221 -6.560 1.364 146 HB2 LYS 25 1HB LYS 25 -2.560 -7.500 -0.823 147 HB3 LYS 25 2HB LYS 25 -4.172 -8.054 -0.392 148 HG2 LYS 25 1HG LYS 25 -4.695 -6.187 -1.584 149 HG3 LYS 25 2HG LYS 25 -4.580 -5.491 0.034 150 HD2 LYS 25 1HD LYS 25 -3.274 -4.006 -1.108 151 HD3 LYS 25 2HD LYS 25 -2.044 -5.196 -0.675 152 HE2 LYS 25 1HE LYS 25 -3.565 -5.256 -3.273 153 HE3 LYS 25 2HE LYS 25 -2.026 -4.420 -3.074 154 HZ1 LYS 25 3HZ LYS 25 -1.162 -6.641 -2.247 155 HZ2 LYS 25 1HZ LYS 25 -1.479 -6.516 -3.905 156 HZ3 LYS 25 2HZ LYS 25 -2.570 -7.320 -2.893 157 H ASP 26 H ASP 26 -5.140 -8.474 1.971 158 HA ASP 26 HA ASP 26 -6.975 -6.500 2.487 159 HB2 ASP 26 1HB ASP 26 -6.617 -9.123 3.953 160 HB3 ASP 26 2HB ASP 26 -8.059 -8.114 4.040 161 H GLN 27 H GLN 27 -4.704 -7.936 4.823 162 HA GLN 27 HA GLN 27 -5.458 -6.310 6.997 163 HB2 GLN 27 1HB GLN 27 -2.774 -7.611 6.511 164 HB3 GLN 27 2HB GLN 27 -3.408 -7.071 8.059 165 HG2 GLN 27 1HG GLN 27 -4.270 -9.401 6.389 166 HG3 GLN 27 2HG GLN 27 -3.713 -9.381 8.061 167 HE21 GLN 27 1HE2 GLN 27 -6.343 -9.789 6.201 168 HE22 GLN 27 2HE2 GLN 27 -7.581 -9.310 7.307 169 H LEU 28 H LEU 28 -3.660 -5.626 4.191 170 HA LEU 28 HA LEU 28 -2.180 -3.422 5.368 171 HB2 LEU 28 1HB LEU 28 -1.174 -4.823 3.613 172 HB3 LEU 28 2HB LEU 28 -2.426 -4.293 2.491 173 HG LEU 28 HG LEU 28 -1.457 -1.906 3.103 174 HD11 LEU 28 1HD1 LEU 28 0.999 -2.033 3.339 175 HD12 LEU 28 2HD1 LEU 28 0.858 -3.772 3.597 176 HD13 LEU 28 3HD1 LEU 28 0.136 -2.649 4.749 177 HD21 LEU 28 3HD2 LEU 28 0.179 -3.582 1.243 178 HD22 LEU 28 1HD2 LEU 28 -0.387 -1.923 1.052 179 HD23 LEU 28 2HD2 LEU 28 -1.521 -3.265 0.896 180 H VAL 29 H VAL 29 -4.881 -3.920 3.138 181 HA VAL 29 HA VAL 29 -5.316 -1.259 2.407 182 HB VAL 29 HB VAL 29 -7.328 -3.491 2.710 183 HG11 VAL 29 1HG1 VAL 29 -8.426 -1.312 2.732 184 HG12 VAL 29 2HG1 VAL 29 -7.580 -0.863 1.250 185 HG13 VAL 29 3HG1 VAL 29 -8.760 -2.174 1.231 186 HG21 VAL 29 3HG2 VAL 29 -5.775 -4.180 1.102 187 HG22 VAL 29 1HG2 VAL 29 -7.078 -3.458 0.158 188 HG23 VAL 29 2HG2 VAL 29 -5.592 -2.553 0.448 189 H SER 30 H SER 30 -6.664 -3.134 5.104 190 HA SER 30 HA SER 30 -8.279 -1.028 6.108 191 HB2 SER 30 1HB SER 30 -7.206 -3.501 7.486 192 HB3 SER 30 2HB SER 30 -8.445 -2.435 8.149 193 HG SER 30 HG SER 30 -9.007 -4.456 6.811 194 H HIS 31 H HIS 31 -4.935 -1.627 6.232 195 HA HIS 31 HA HIS 31 -4.499 -0.111 8.673 196 HB2 HIS 31 1HB HIS 31 -2.974 -1.881 8.480 197 HB3 HIS 31 2HB HIS 31 -2.706 -1.586 6.764 198 HD1 HIS 31 HD1 HIS 31 -2.048 0.223 10.051 199 HD2 HIS 31 HD2 HIS 31 -0.386 -0.293 6.279 200 HE1 HIS 31 HE1 HIS 31 0.142 1.457 10.107 201 H GLN 32 H GLN 32 -3.743 0.190 5.211 202 HA GLN 32 HA GLN 32 -2.481 2.673 5.307 203 HB2 GLN 32 1HB GLN 32 -4.036 1.259 3.159 204 HB3 GLN 32 2HB GLN 32 -3.366 2.862 2.888 205 HG2 GLN 32 1HG GLN 32 -1.136 1.858 3.619 206 HG3 GLN 32 2HG GLN 32 -1.918 0.292 3.405 207 HE21 GLN 32 1HE2 GLN 32 -0.022 0.231 1.853 208 HE22 GLN 32 2HE2 GLN 32 -0.341 0.738 0.232 209 H LYS 33 H LYS 33 -5.773 1.861 5.753 210 HA LYS 33 HA LYS 33 -7.048 4.203 4.892 211 HB2 LYS 33 1HB LYS 33 -7.713 2.129 6.961 212 HB3 LYS 33 2HB LYS 33 -8.738 3.543 6.749 213 HG2 LYS 33 1HG LYS 33 -8.799 2.868 4.270 214 HG3 LYS 33 2HG LYS 33 -8.196 1.308 4.834 215 HD2 LYS 33 1HD LYS 33 -10.607 2.579 6.086 216 HD3 LYS 33 2HD LYS 33 -10.745 1.639 4.598 217 HE2 LYS 33 1HE LYS 33 -10.138 -0.336 5.636 218 HE3 LYS 33 2HE LYS 33 -9.301 0.492 6.949 219 HZ1 LYS 33 3HZ LYS 33 -12.245 0.528 6.578 220 HZ2 LYS 33 1HZ LYS 33 -11.378 1.119 7.904 221 HZ3 LYS 33 2HZ LYS 33 -11.435 -0.544 7.605 222 H THR 34 H THR 34 -5.193 3.500 7.752 223 HA THR 34 HA THR 34 -6.080 5.742 9.280 224 HB THR 34 HB THR 34 -5.002 3.678 10.245 225 HG1 THR 34 HG1 THR 34 -5.112 5.329 11.665 226 HG21 THR 34 3HG2 THR 34 -2.933 3.070 9.677 227 HG22 THR 34 1HG2 THR 34 -2.303 4.669 10.070 228 HG23 THR 34 2HG2 THR 34 -2.947 4.345 8.460 229 H HIS 35 H HIS 35 -3.842 5.323 6.712 230 HA HIS 35 HA HIS 35 -2.388 7.771 7.323 231 HB2 HIS 35 1HB HIS 35 -2.120 5.806 5.039 232 HB3 HIS 35 2HB HIS 35 -1.088 7.213 5.275 233 HD1 HIS 35 HD1 HIS 35 -0.374 7.040 8.188 234 HD2 HIS 35 HD2 HIS 35 -0.568 3.702 5.722 235 HE1 HIS 35 HE1 HIS 35 1.066 5.302 9.296 236 H SER 36 H SER 36 -5.271 7.784 6.656 237 HA SER 36 HA SER 36 -5.119 9.651 4.389 238 HB2 SER 36 1HB SER 36 -6.103 7.599 3.534 239 HB3 SER 36 2HB SER 36 -7.264 7.567 4.861 240 HG SER 36 HG SER 36 -7.142 9.822 3.197 241 H GLY 37 H GLY 37 -6.733 11.316 4.382 242 HA2 GLY 37 1HA GLY 37 -8.662 12.332 5.503 243 HA3 GLY 37 2HA GLY 37 -8.000 11.736 7.018 244 H GLN 38 H GLN 38 -5.799 12.603 7.591 245 HA GLN 38 HA GLN 38 -5.714 15.467 6.925 246 HB2 GLN 38 1HB GLN 38 -5.152 13.922 9.406 247 HB3 GLN 38 2HB GLN 38 -4.198 15.371 9.115 248 HG2 GLN 38 1HG GLN 38 -7.159 15.524 8.871 249 HG3 GLN 38 2HG GLN 38 -6.430 15.471 10.475 250 HE21 GLN 38 1HE2 GLN 38 -5.444 17.248 11.270 251 HE22 GLN 38 2HE2 GLN 38 -5.342 18.758 10.437 252 H SER 39 H SER 39 -4.544 13.558 5.195 253 HA SER 39 HA SER 39 -1.685 13.609 5.720 254 HB2 SER 39 1HB SER 39 -3.207 12.512 3.343 255 HB3 SER 39 2HB SER 39 -1.493 12.267 3.676 256 HG SER 39 HG SER 39 -3.697 11.041 4.772 257 H GLY 40 H GLY 40 -1.294 15.859 5.621 258 HA2 GLY 40 1HA GLY 40 -0.739 16.802 2.956 259 HA3 GLY 40 2HA GLY 40 -2.024 17.697 3.754 260 HA PRO 41 HA PRO 41 2.390 19.067 5.029 261 HB2 PRO 41 1HB PRO 41 2.740 21.150 3.324 262 HB3 PRO 41 2HB PRO 41 3.276 19.507 2.955 263 HG2 PRO 41 1HG PRO 41 0.805 20.940 2.059 264 HG3 PRO 41 2HG PRO 41 1.901 19.906 1.123 265 HD2 PRO 41 1HD PRO 41 -0.468 19.019 2.091 266 HD3 PRO 41 2HD PRO 41 0.949 17.963 1.918 267 H SER 42 H SER 42 2.948 21.514 5.526 268 HA SER 42 HA SER 42 2.415 23.149 7.050 269 HB2 SER 42 1HB SER 42 1.881 24.156 4.841 270 HB3 SER 42 2HB SER 42 0.212 23.617 5.026 271 HG SER 42 HG SER 42 1.420 25.801 6.045 272 H SER 43 H SER 43 1.374 20.714 7.889 273 HA SER 43 HA SER 43 -1.395 20.946 8.571 274 HB2 SER 43 1HB SER 43 -0.094 18.776 8.320 275 HB3 SER 43 2HB SER 43 0.631 19.131 9.888 276 HG SER 43 HG SER 43 -1.407 19.049 10.816 277 H GLY 44 H GLY 44 -2.251 21.107 10.736 278 HA2 GLY 44 1HA GLY 44 -1.210 21.575 13.117 279 HA3 GLY 44 2HA GLY 44 -0.761 23.069 12.309 Start of MODEL 10 1 H1 GLY 1 H GLY 1 38.106 -4.016 0.591 2 HA2 GLY 1 1HA GLY 1 37.398 -4.067 3.460 3 HA3 GLY 1 2HA GLY 1 36.563 -3.081 2.269 4 H SER 2 H SER 2 34.813 -4.382 3.532 5 HA SER 2 HA SER 2 34.178 -6.741 1.891 6 HB2 SER 2 1HB SER 2 34.930 -7.273 4.287 7 HB3 SER 2 2HB SER 2 33.412 -6.539 4.802 8 HG SER 2 HG SER 2 33.301 -8.468 2.791 9 H SER 3 H SER 3 31.958 -7.114 1.506 10 HA SER 3 HA SER 3 30.300 -4.709 1.853 11 HB2 SER 3 1HB SER 3 29.932 -6.936 -0.163 12 HB3 SER 3 2HB SER 3 29.078 -5.393 -0.119 13 HG SER 3 HG SER 3 31.745 -5.934 -0.826 14 H GLY 4 H GLY 4 28.080 -4.935 2.393 15 HA2 GLY 4 1HA GLY 4 27.406 -7.524 3.649 16 HA3 GLY 4 2HA GLY 4 27.082 -5.992 4.448 17 H SER 5 H SER 5 25.282 -8.195 3.573 18 HA SER 5 HA SER 5 23.215 -6.522 2.480 19 HB2 SER 5 1HB SER 5 24.516 -8.656 0.816 20 HB3 SER 5 2HB SER 5 22.805 -8.287 0.599 21 HG SER 5 HG SER 5 24.705 -7.057 -0.561 22 H SER 6 H SER 6 21.343 -7.105 3.360 23 HA SER 6 HA SER 6 20.720 -9.883 3.880 24 HB2 SER 6 1HB SER 6 20.974 -7.891 6.145 25 HB3 SER 6 2HB SER 6 20.234 -9.485 6.291 26 HG SER 6 HG SER 6 22.912 -8.991 5.488 27 H GLY 7 H GLY 7 18.537 -10.276 4.001 28 HA2 GLY 7 1HA GLY 7 16.828 -7.972 3.371 29 HA3 GLY 7 2HA GLY 7 16.448 -9.655 3.036 30 H THR 8 H THR 8 14.873 -7.588 4.415 31 HA THR 8 HA THR 8 14.536 -8.972 6.996 32 HB THR 8 HB THR 8 13.696 -6.868 7.954 33 HG1 THR 8 HG1 THR 8 13.107 -5.401 6.551 34 HG21 THR 8 3HG2 THR 8 15.941 -7.170 8.470 35 HG22 THR 8 1HG2 THR 8 15.934 -5.568 7.734 36 HG23 THR 8 2HG2 THR 8 16.457 -6.967 6.796 37 H GLY 9 H GLY 9 12.985 -10.389 6.114 38 HA2 GLY 9 1HA GLY 9 10.889 -11.068 5.458 39 HA3 GLY 9 2HA GLY 9 10.331 -9.695 6.402 40 H GLU 10 H GLU 10 10.909 -10.952 3.242 41 HA GLU 10 HA GLU 10 10.216 -8.409 1.978 42 HB2 GLU 10 1HB GLU 10 12.109 -9.768 1.091 43 HB3 GLU 10 2HB GLU 10 10.961 -11.036 0.684 44 HG2 GLU 10 1HG GLU 10 9.765 -9.200 -0.676 45 HG3 GLU 10 2HG GLU 10 11.291 -8.329 -0.538 46 H ASN 11 H ASN 11 8.080 -8.041 2.059 47 HA ASN 11 HA ASN 11 6.293 -10.190 1.125 48 HB2 ASN 11 1HB ASN 11 5.814 -8.080 3.232 49 HB3 ASN 11 2HB ASN 11 4.518 -9.035 2.518 50 HD21 ASN 11 1HD2 ASN 11 7.087 -8.959 4.770 51 HD22 ASN 11 2HD2 ASN 11 6.883 -10.554 5.402 52 HA PRO 12 HA PRO 12 5.113 -7.483 -2.138 53 HB2 PRO 12 1HB PRO 12 2.679 -8.537 -2.718 54 HB3 PRO 12 2HB PRO 12 4.197 -9.335 -3.143 55 HG2 PRO 12 1HG PRO 12 2.370 -9.849 -0.828 56 HG3 PRO 12 2HG PRO 12 3.196 -11.013 -1.881 57 HD2 PRO 12 1HD PRO 12 4.110 -10.375 0.587 58 HD3 PRO 12 2HD PRO 12 5.195 -10.806 -0.751 59 H TYR 13 H TYR 13 3.594 -7.566 0.871 60 HA TYR 13 HA TYR 13 1.957 -5.216 0.175 61 HB2 TYR 13 1HB TYR 13 1.332 -7.076 2.461 62 HB3 TYR 13 2HB TYR 13 0.286 -5.873 1.714 63 HD1 TYR 13 HD2 TYR 13 0.165 -6.355 -1.022 64 HD2 TYR 13 HD1 TYR 13 0.655 -9.236 2.070 65 HE1 TYR 13 HE2 TYR 13 -0.782 -8.085 -2.492 66 HE2 TYR 13 HE1 TYR 13 -0.289 -10.975 0.608 67 HH TYR 13 HH TYR 13 -1.317 -10.225 -2.711 68 H GLU 14 H GLU 14 3.422 -3.655 0.741 69 HA GLU 14 HA GLU 14 4.024 -3.469 3.609 70 HB2 GLU 14 1HB GLU 14 6.081 -4.218 2.633 71 HB3 GLU 14 2HB GLU 14 5.958 -3.042 1.332 72 HG2 GLU 14 1HG GLU 14 6.051 -2.033 4.120 73 HG3 GLU 14 2HG GLU 14 7.534 -2.667 3.410 74 H CYS 15 H CYS 15 3.284 -1.634 4.427 75 HA CYS 15 HA CYS 15 2.187 0.418 2.801 76 HB2 CYS 15 1HB CYS 15 1.336 -0.151 5.061 77 HB3 CYS 15 2HB CYS 15 2.822 0.486 5.758 78 H CYS 16 H CYS 16 3.029 2.284 2.086 79 HA CYS 16 HA CYS 16 5.862 2.774 2.603 80 HB2 CYS 16 1HB CYS 16 3.998 4.031 0.578 81 HB3 CYS 16 2HB CYS 16 5.733 4.308 0.684 82 H GLU 17 H GLU 17 2.752 4.022 3.377 83 HA GLU 17 HA GLU 17 3.304 6.711 3.848 84 HB2 GLU 17 1HB GLU 17 1.433 4.906 5.393 85 HB3 GLU 17 2HB GLU 17 1.395 6.663 5.395 86 HG2 GLU 17 1HG GLU 17 1.095 5.092 2.863 87 HG3 GLU 17 2HG GLU 17 -0.277 5.426 3.918 88 H CYS 18 H CYS 18 3.389 4.013 6.180 89 HA CYS 18 HA CYS 18 5.047 5.684 7.941 90 HB2 CYS 18 1HB CYS 18 4.415 4.106 9.732 91 HB3 CYS 18 2HB CYS 18 3.008 4.857 8.987 92 H GLY 19 H GLY 19 4.788 2.391 6.627 93 HA2 GLY 19 1HA GLY 19 6.919 1.545 5.638 94 HA3 GLY 19 2HA GLY 19 7.685 2.083 7.126 95 H LYS 20 H LYS 20 4.543 0.546 7.051 96 HA LYS 20 HA LYS 20 5.640 -1.650 8.643 97 HB2 LYS 20 1HB LYS 20 3.520 -0.167 9.194 98 HB3 LYS 20 2HB LYS 20 2.714 -1.322 8.140 99 HG2 LYS 20 1HG LYS 20 3.472 -3.155 9.566 100 HG3 LYS 20 2HG LYS 20 4.279 -1.995 10.624 101 HD2 LYS 20 1HD LYS 20 2.244 -1.080 11.354 102 HD3 LYS 20 2HD LYS 20 1.342 -1.804 10.020 103 HE2 LYS 20 1HE LYS 20 2.695 -3.384 12.201 104 HE3 LYS 20 2HE LYS 20 0.997 -2.911 12.235 105 HZ1 LYS 20 3HZ LYS 20 0.690 -4.865 11.218 106 HZ2 LYS 20 1HZ LYS 20 2.301 -4.994 10.718 107 HZ3 LYS 20 2HZ LYS 20 1.209 -4.065 9.820 108 H VAL 21 H VAL 21 4.864 -3.850 8.245 109 HA VAL 21 HA VAL 21 4.294 -4.338 5.394 110 HB VAL 21 HB VAL 21 6.005 -6.080 7.172 111 HG11 VAL 21 1HG1 VAL 21 5.124 -6.242 4.314 112 HG12 VAL 21 2HG1 VAL 21 6.630 -6.997 4.839 113 HG13 VAL 21 3HG1 VAL 21 5.098 -7.488 5.562 114 HG21 VAL 21 3HG2 VAL 21 7.308 -4.169 6.816 115 HG22 VAL 21 1HG2 VAL 21 7.825 -5.286 5.552 116 HG23 VAL 21 2HG2 VAL 21 6.721 -3.965 5.165 117 H PHE 22 H PHE 22 3.240 -6.412 4.945 118 HA PHE 22 HA PHE 22 1.831 -7.634 7.186 119 HB2 PHE 22 1HB PHE 22 0.362 -6.494 4.799 120 HB3 PHE 22 2HB PHE 22 -0.360 -7.376 6.140 121 HD1 PHE 22 HD2 PHE 22 1.674 -4.337 5.439 122 HD2 PHE 22 HD1 PHE 22 -1.238 -6.205 7.919 123 HE1 PHE 22 HE2 PHE 22 1.357 -2.221 6.653 124 HE2 PHE 22 HE1 PHE 22 -1.561 -4.091 9.137 125 HZ PHE 22 HZ PHE 22 -0.262 -2.096 8.505 126 H SER 23 H SER 23 0.499 -9.542 6.407 127 HA SER 23 HA SER 23 2.140 -11.062 4.542 128 HB2 SER 23 1HB SER 23 -0.068 -11.873 6.442 129 HB3 SER 23 2HB SER 23 0.736 -12.998 5.348 130 HG SER 23 HG SER 23 2.358 -13.068 6.673 131 H ARG 24 H ARG 24 -1.225 -10.049 4.954 132 HA ARG 24 HA ARG 24 -1.694 -10.750 2.130 133 HB2 ARG 24 1HB ARG 24 -3.706 -10.803 4.388 134 HB3 ARG 24 2HB ARG 24 -4.041 -11.176 2.703 135 HG2 ARG 24 1HG ARG 24 -2.670 -13.132 2.792 136 HG3 ARG 24 2HG ARG 24 -2.096 -12.712 4.407 137 HD2 ARG 24 1HD ARG 24 -3.751 -14.392 4.678 138 HD3 ARG 24 2HD ARG 24 -4.479 -12.868 5.183 139 HE ARG 24 HE ARG 24 -5.086 -13.231 2.494 140 HH11 ARG 24 1HH1 ARG 24 -5.745 -14.768 5.547 141 HH12 ARG 24 2HH1 ARG 24 -7.284 -15.390 5.050 142 HH21 ARG 24 1HH2 ARG 24 -7.111 -14.044 1.827 143 HH22 ARG 24 2HH2 ARG 24 -8.059 -14.979 2.934 144 H LYS 25 H LYS 25 -2.275 -9.126 0.844 145 HA LYS 25 HA LYS 25 -2.122 -6.499 1.341 146 HB2 LYS 25 1HB LYS 25 -2.734 -7.767 -0.850 147 HB3 LYS 25 2HB LYS 25 -4.396 -7.440 -0.377 148 HG2 LYS 25 1HG LYS 25 -4.144 -5.143 -0.611 149 HG3 LYS 25 2HG LYS 25 -2.383 -5.231 -0.524 150 HD2 LYS 25 1HD LYS 25 -2.810 -4.843 -2.786 151 HD3 LYS 25 2HD LYS 25 -2.550 -6.587 -2.703 152 HE2 LYS 25 1HE LYS 25 -5.125 -6.697 -2.402 153 HE3 LYS 25 2HE LYS 25 -5.102 -5.064 -3.067 154 HZ1 LYS 25 3HZ LYS 25 -3.589 -6.281 -4.846 155 HZ2 LYS 25 1HZ LYS 25 -5.274 -6.224 -4.984 156 HZ3 LYS 25 2HZ LYS 25 -4.523 -7.608 -4.368 157 H ASP 26 H ASP 26 -5.091 -8.406 1.762 158 HA ASP 26 HA ASP 26 -6.927 -6.547 2.449 159 HB2 ASP 26 1HB ASP 26 -7.291 -9.015 2.453 160 HB3 ASP 26 2HB ASP 26 -6.484 -9.095 4.017 161 H GLN 27 H GLN 27 -4.639 -7.989 4.774 162 HA GLN 27 HA GLN 27 -5.352 -6.428 6.972 163 HB2 GLN 27 1HB GLN 27 -2.615 -7.543 6.341 164 HB3 GLN 27 2HB GLN 27 -3.201 -7.062 7.928 165 HG2 GLN 27 1HG GLN 27 -4.016 -9.415 6.265 166 HG3 GLN 27 2HG GLN 27 -3.362 -9.389 7.902 167 HE21 GLN 27 1HE2 GLN 27 -5.927 -10.380 6.547 168 HE22 GLN 27 2HE2 GLN 27 -7.177 -9.814 7.597 169 H LEU 28 H LEU 28 -3.287 -5.726 4.248 170 HA LEU 28 HA LEU 28 -2.055 -3.415 5.390 171 HB2 LEU 28 1HB LEU 28 -1.056 -4.720 3.553 172 HB3 LEU 28 2HB LEU 28 -2.363 -4.195 2.494 173 HG LEU 28 HG LEU 28 -1.447 -1.798 3.202 174 HD11 LEU 28 1HD1 LEU 28 0.859 -3.681 3.595 175 HD12 LEU 28 2HD1 LEU 28 0.282 -2.406 4.668 176 HD13 LEU 28 3HD1 LEU 28 1.088 -1.988 3.156 177 HD21 LEU 28 3HD2 LEU 28 -1.671 -2.543 0.924 178 HD22 LEU 28 1HD2 LEU 28 -0.274 -3.606 1.093 179 HD23 LEU 28 2HD2 LEU 28 -0.062 -1.856 1.147 180 H VAL 29 H VAL 29 -4.671 -3.894 3.027 181 HA VAL 29 HA VAL 29 -5.299 -1.296 2.423 182 HB VAL 29 HB VAL 29 -7.269 -3.538 2.893 183 HG11 VAL 29 1HG1 VAL 29 -8.486 -2.120 1.048 184 HG12 VAL 29 2HG1 VAL 29 -8.648 -1.709 2.757 185 HG13 VAL 29 3HG1 VAL 29 -7.530 -0.806 1.734 186 HG21 VAL 29 3HG2 VAL 29 -5.888 -4.380 1.253 187 HG22 VAL 29 1HG2 VAL 29 -7.088 -3.523 0.284 188 HG23 VAL 29 2HG2 VAL 29 -5.516 -2.786 0.597 189 H SER 30 H SER 30 -6.785 -3.191 5.058 190 HA SER 30 HA SER 30 -8.327 -1.194 6.177 191 HB2 SER 30 1HB SER 30 -8.502 -3.518 6.891 192 HB3 SER 30 2HB SER 30 -6.883 -3.452 7.588 193 HG SER 30 HG SER 30 -8.850 -3.101 8.997 194 H HIS 31 H HIS 31 -4.931 -1.971 6.815 195 HA HIS 31 HA HIS 31 -4.524 -0.106 8.880 196 HB2 HIS 31 1HB HIS 31 -2.848 -1.719 8.702 197 HB3 HIS 31 2HB HIS 31 -2.706 -1.522 6.958 198 HD1 HIS 31 HD1 HIS 31 -1.948 0.457 10.115 199 HD2 HIS 31 HD2 HIS 31 -0.610 0.022 6.206 200 HE1 HIS 31 HE1 HIS 31 0.109 1.895 9.944 201 H GLN 32 H GLN 32 -3.492 0.136 5.470 202 HA GLN 32 HA GLN 32 -2.523 2.623 5.309 203 HB2 GLN 32 1HB GLN 32 -4.508 1.384 3.397 204 HB3 GLN 32 2HB GLN 32 -3.548 2.812 3.035 205 HG2 GLN 32 1HG GLN 32 -1.503 1.423 3.445 206 HG3 GLN 32 2HG GLN 32 -2.563 0.017 3.531 207 HE21 GLN 32 1HE2 GLN 32 -0.491 0.328 1.668 208 HE22 GLN 32 2HE2 GLN 32 -1.190 0.419 0.091 209 H LYS 33 H LYS 33 -5.860 1.815 5.908 210 HA LYS 33 HA LYS 33 -7.187 4.146 5.330 211 HB2 LYS 33 1HB LYS 33 -7.594 2.412 7.774 212 HB3 LYS 33 2HB LYS 33 -8.763 3.551 7.119 213 HG2 LYS 33 1HG LYS 33 -7.723 1.101 5.711 214 HG3 LYS 33 2HG LYS 33 -9.293 1.253 6.502 215 HD2 LYS 33 1HD LYS 33 -9.909 1.725 4.355 216 HD3 LYS 33 2HD LYS 33 -9.487 3.352 4.897 217 HE2 LYS 33 1HE LYS 33 -8.300 3.291 2.953 218 HE3 LYS 33 2HE LYS 33 -7.091 2.615 4.044 219 HZ1 LYS 33 3HZ LYS 33 -7.890 0.383 3.380 220 HZ2 LYS 33 1HZ LYS 33 -7.209 1.260 2.103 221 HZ3 LYS 33 2HZ LYS 33 -8.890 1.111 2.225 222 H THR 34 H THR 34 -5.506 3.372 8.372 223 HA THR 34 HA THR 34 -5.982 5.611 9.846 224 HB THR 34 HB THR 34 -4.633 3.764 10.697 225 HG1 THR 34 HG1 THR 34 -3.993 5.268 12.034 226 HG21 THR 34 3HG2 THR 34 -2.070 4.584 9.640 227 HG22 THR 34 1HG2 THR 34 -3.165 4.099 8.347 228 HG23 THR 34 2HG2 THR 34 -2.812 2.984 9.667 229 H HIS 35 H HIS 35 -4.070 5.376 6.963 230 HA HIS 35 HA HIS 35 -2.924 8.032 7.346 231 HB2 HIS 35 1HB HIS 35 -2.580 6.112 5.034 232 HB3 HIS 35 2HB HIS 35 -1.645 7.576 5.324 233 HD1 HIS 35 HD1 HIS 35 -0.708 7.350 8.115 234 HD2 HIS 35 HD2 HIS 35 -0.978 4.030 5.632 235 HE1 HIS 35 HE1 HIS 35 0.859 5.646 9.097 236 H SER 36 H SER 36 -5.718 7.974 7.146 237 HA SER 36 HA SER 36 -6.138 9.244 4.519 238 HB2 SER 36 1HB SER 36 -7.405 7.136 4.735 239 HB3 SER 36 2HB SER 36 -8.184 7.760 6.189 240 HG SER 36 HG SER 36 -9.219 9.291 4.968 241 H GLY 37 H GLY 37 -6.681 11.325 4.561 242 HA2 GLY 37 1HA GLY 37 -8.191 12.410 6.803 243 HA3 GLY 37 2HA GLY 37 -6.570 13.054 6.585 244 H GLN 38 H GLN 38 -7.558 15.127 6.259 245 HA GLN 38 HA GLN 38 -8.632 15.437 3.535 246 HB2 GLN 38 1HB GLN 38 -10.405 15.806 5.183 247 HB3 GLN 38 2HB GLN 38 -9.412 17.006 5.998 248 HG2 GLN 38 1HG GLN 38 -9.441 18.356 3.911 249 HG3 GLN 38 2HG GLN 38 -10.581 17.194 3.234 250 HE21 GLN 38 1HE2 GLN 38 -11.520 19.594 3.215 251 HE22 GLN 38 2HE2 GLN 38 -12.639 19.898 4.495 252 H SER 39 H SER 39 -7.884 17.151 2.329 253 HA SER 39 HA SER 39 -5.795 18.821 3.559 254 HB2 SER 39 1HB SER 39 -5.661 17.567 0.806 255 HB3 SER 39 2HB SER 39 -4.446 18.625 1.524 256 HG SER 39 HG SER 39 -5.195 16.020 2.348 257 H GLY 40 H GLY 40 -5.529 20.906 2.675 258 HA2 GLY 40 1HA GLY 40 -7.923 21.859 1.254 259 HA3 GLY 40 2HA GLY 40 -6.864 22.848 2.249 260 HA PRO 41 HA PRO 41 -5.852 23.394 -2.299 261 HB2 PRO 41 1HB PRO 41 -6.277 26.075 -2.367 262 HB3 PRO 41 2HB PRO 41 -7.554 24.892 -2.674 263 HG2 PRO 41 1HG PRO 41 -6.943 26.413 -0.169 264 HG3 PRO 41 2HG PRO 41 -8.514 26.080 -0.920 265 HD2 PRO 41 1HD PRO 41 -7.581 24.666 1.192 266 HD3 PRO 41 2HD PRO 41 -8.616 23.945 -0.057 267 H SER 42 H SER 42 -4.765 24.410 0.727 268 HA SER 42 HA SER 42 -2.584 26.054 -0.215 269 HB2 SER 42 1HB SER 42 -3.242 24.952 2.526 270 HB3 SER 42 2HB SER 42 -1.886 26.028 2.190 271 HG SER 42 HG SER 42 -3.736 27.355 1.180 272 H SER 43 H SER 43 -0.618 25.382 -0.774 273 HA SER 43 HA SER 43 0.026 22.712 -1.182 274 HB2 SER 43 1HB SER 43 2.345 23.495 -1.522 275 HB3 SER 43 2HB SER 43 1.179 24.539 -2.335 276 HG SER 43 HG SER 43 2.965 25.483 -0.933 277 H GLY 44 H GLY 44 1.129 24.868 1.434 278 HA2 GLY 44 1HA GLY 44 0.920 23.479 3.643 279 HA3 GLY 44 2HA GLY 44 2.183 22.536 2.866 Start of MODEL 11 1 H1 GLY 1 H GLY 1 37.442 -9.695 10.383 2 HA2 GLY 1 1HA GLY 1 35.230 -9.026 9.248 3 HA3 GLY 1 2HA GLY 1 35.188 -10.466 10.255 4 H SER 2 H SER 2 33.282 -10.457 11.258 5 HA SER 2 HA SER 2 31.511 -9.796 12.526 6 HB2 SER 2 1HB SER 2 33.621 -9.277 14.019 7 HB3 SER 2 2HB SER 2 33.147 -7.602 13.741 8 HG SER 2 HG SER 2 31.804 -9.633 15.124 9 H SER 3 H SER 3 31.575 -8.711 9.976 10 HA SER 3 HA SER 3 29.958 -6.344 10.378 11 HB2 SER 3 1HB SER 3 31.211 -4.942 8.820 12 HB3 SER 3 2HB SER 3 32.247 -5.424 10.162 13 HG SER 3 HG SER 3 32.894 -5.660 7.734 14 H GLY 4 H GLY 4 29.123 -5.550 8.159 15 HA2 GLY 4 1HA GLY 4 28.468 -6.077 5.936 16 HA3 GLY 4 2HA GLY 4 28.903 -7.754 6.235 17 H SER 5 H SER 5 26.378 -6.176 5.364 18 HA SER 5 HA SER 5 24.544 -7.761 7.021 19 HB2 SER 5 1HB SER 5 24.627 -5.263 7.654 20 HB3 SER 5 2HB SER 5 23.817 -4.981 6.113 21 HG SER 5 HG SER 5 22.877 -6.262 8.418 22 H SER 6 H SER 6 22.559 -8.327 5.992 23 HA SER 6 HA SER 6 22.195 -7.713 3.191 24 HB2 SER 6 1HB SER 6 23.843 -9.579 3.159 25 HB3 SER 6 2HB SER 6 22.683 -10.581 4.030 26 HG SER 6 HG SER 6 22.756 -10.724 1.627 27 H GLY 7 H GLY 7 20.215 -8.834 2.316 28 HA2 GLY 7 1HA GLY 7 18.345 -9.927 4.205 29 HA3 GLY 7 2HA GLY 7 17.971 -8.267 3.765 30 H THR 8 H THR 8 16.605 -10.897 3.245 31 HA THR 8 HA THR 8 16.039 -10.378 0.438 32 HB THR 8 HB THR 8 17.792 -12.105 0.359 33 HG1 THR 8 HG1 THR 8 16.462 -12.417 -1.313 34 HG21 THR 8 3HG2 THR 8 17.054 -14.428 1.172 35 HG22 THR 8 1HG2 THR 8 15.893 -13.561 2.177 36 HG23 THR 8 2HG2 THR 8 17.622 -13.277 2.382 37 H GLY 9 H GLY 9 14.087 -11.527 -0.312 38 HA2 GLY 9 1HA GLY 9 12.079 -12.728 0.137 39 HA3 GLY 9 2HA GLY 9 12.348 -12.476 1.855 40 H GLU 10 H GLU 10 12.189 -10.269 -0.940 41 HA GLU 10 HA GLU 10 11.069 -8.113 0.329 42 HB2 GLU 10 1HB GLU 10 10.187 -7.433 -1.881 43 HB3 GLU 10 2HB GLU 10 11.858 -7.974 -1.955 44 HG2 GLU 10 1HG GLU 10 11.091 -10.163 -2.770 45 HG3 GLU 10 2HG GLU 10 9.432 -9.567 -2.752 46 H ASN 11 H ASN 11 9.188 -7.694 1.277 47 HA ASN 11 HA ASN 11 7.131 -9.675 1.383 48 HB2 ASN 11 1HB ASN 11 6.823 -6.842 2.351 49 HB3 ASN 11 2HB ASN 11 6.097 -8.309 2.999 50 HD21 ASN 11 1HD2 ASN 11 9.024 -6.427 2.753 51 HD22 ASN 11 2HD2 ASN 11 9.842 -7.165 4.084 52 HA PRO 12 HA PRO 12 4.647 -8.394 -2.018 53 HB2 PRO 12 1HB PRO 12 2.250 -9.369 -1.195 54 HB3 PRO 12 2HB PRO 12 3.557 -10.403 -1.784 55 HG2 PRO 12 1HG PRO 12 2.752 -9.789 1.033 56 HG3 PRO 12 2HG PRO 12 3.211 -11.344 0.314 57 HD2 PRO 12 1HD PRO 12 4.924 -9.863 1.799 58 HD3 PRO 12 2HD PRO 12 5.466 -10.885 0.452 59 H TYR 13 H TYR 13 3.661 -7.597 1.268 60 HA TYR 13 HA TYR 13 2.445 -5.126 0.234 61 HB2 TYR 13 1HB TYR 13 1.342 -6.546 2.646 62 HB3 TYR 13 2HB TYR 13 0.586 -5.293 1.666 63 HD1 TYR 13 HD2 TYR 13 -0.059 -5.903 -0.738 64 HD2 TYR 13 HD1 TYR 13 0.914 -8.805 2.218 65 HE1 TYR 13 HE2 TYR 13 -1.215 -7.627 -2.058 66 HE2 TYR 13 HE1 TYR 13 -0.239 -10.537 0.906 67 HH TYR 13 HH TYR 13 -1.107 -10.146 -2.292 68 H GLU 14 H GLU 14 3.732 -3.534 0.883 69 HA GLU 14 HA GLU 14 4.507 -3.434 3.711 70 HB2 GLU 14 1HB GLU 14 6.449 -4.263 2.454 71 HB3 GLU 14 2HB GLU 14 6.365 -2.862 1.395 72 HG2 GLU 14 1HG GLU 14 7.032 -1.395 3.100 73 HG3 GLU 14 2HG GLU 14 6.733 -2.593 4.358 74 H CYS 15 H CYS 15 3.727 -1.632 4.559 75 HA CYS 15 HA CYS 15 2.748 0.518 2.973 76 HB2 CYS 15 1HB CYS 15 1.685 -0.024 5.085 77 HB3 CYS 15 2HB CYS 15 3.183 0.285 5.957 78 H CYS 16 H CYS 16 3.603 2.492 2.537 79 HA CYS 16 HA CYS 16 6.429 2.870 3.248 80 HB2 CYS 16 1HB CYS 16 6.386 4.532 1.334 81 HB3 CYS 16 2HB CYS 16 6.159 2.845 0.885 82 H GLU 17 H GLU 17 3.277 4.122 3.731 83 HA GLU 17 HA GLU 17 3.798 6.821 4.228 84 HB2 GLU 17 1HB GLU 17 1.705 4.896 5.161 85 HB3 GLU 17 2HB GLU 17 1.789 6.494 5.891 86 HG2 GLU 17 1HG GLU 17 1.407 5.882 2.970 87 HG3 GLU 17 2HG GLU 17 0.181 6.470 4.091 88 H CYS 18 H CYS 18 3.936 4.023 6.399 89 HA CYS 18 HA CYS 18 5.436 5.690 8.309 90 HB2 CYS 18 1HB CYS 18 4.471 4.367 10.137 91 HB3 CYS 18 2HB CYS 18 3.213 5.172 9.205 92 H GLY 19 H GLY 19 4.874 2.391 7.122 93 HA2 GLY 19 1HA GLY 19 6.900 1.185 6.379 94 HA3 GLY 19 2HA GLY 19 7.674 1.777 7.842 95 H LYS 20 H LYS 20 4.891 -0.166 6.779 96 HA LYS 20 HA LYS 20 5.531 -2.107 8.870 97 HB2 LYS 20 1HB LYS 20 2.995 -0.553 8.626 98 HB3 LYS 20 2HB LYS 20 2.894 -2.235 9.132 99 HG2 LYS 20 1HG LYS 20 4.616 -1.642 10.906 100 HG3 LYS 20 2HG LYS 20 4.282 0.044 10.504 101 HD2 LYS 20 1HD LYS 20 2.842 -0.380 12.284 102 HD3 LYS 20 2HD LYS 20 1.808 -0.589 10.869 103 HE2 LYS 20 1HE LYS 20 1.828 -2.919 11.056 104 HE3 LYS 20 2HE LYS 20 3.249 -2.914 12.099 105 HZ1 LYS 20 3HZ LYS 20 1.987 -2.138 13.907 106 HZ2 LYS 20 1HZ LYS 20 1.056 -3.368 13.212 107 HZ3 LYS 20 2HZ LYS 20 0.659 -1.747 12.935 108 H VAL 21 H VAL 21 5.359 -4.157 8.188 109 HA VAL 21 HA VAL 21 4.370 -4.612 5.478 110 HB VAL 21 HB VAL 21 5.823 -6.554 7.277 111 HG11 VAL 21 1HG1 VAL 21 6.379 -7.623 5.075 112 HG12 VAL 21 2HG1 VAL 21 4.676 -7.702 5.533 113 HG13 VAL 21 3HG1 VAL 21 5.213 -6.531 4.327 114 HG21 VAL 21 3HG2 VAL 21 7.169 -4.535 6.874 115 HG22 VAL 21 1HG2 VAL 21 7.851 -5.956 6.083 116 HG23 VAL 21 2HG2 VAL 21 6.966 -4.759 5.137 117 H PHE 22 H PHE 22 3.072 -6.526 5.015 118 HA PHE 22 HA PHE 22 1.454 -7.490 7.258 119 HB2 PHE 22 1HB PHE 22 0.317 -6.345 4.699 120 HB3 PHE 22 2HB PHE 22 -0.619 -7.157 5.949 121 HD1 PHE 22 HD2 PHE 22 1.624 -4.249 5.389 122 HD2 PHE 22 HD1 PHE 22 -1.517 -5.943 7.708 123 HE1 PHE 22 HE2 PHE 22 1.333 -2.103 6.556 124 HE2 PHE 22 HE1 PHE 22 -1.814 -3.799 8.878 125 HZ PHE 22 HZ PHE 22 -0.387 -1.876 8.303 126 H SER 23 H SER 23 0.244 -9.439 6.770 127 HA SER 23 HA SER 23 1.755 -11.188 5.029 128 HB2 SER 23 1HB SER 23 0.432 -12.988 6.024 129 HB3 SER 23 2HB SER 23 1.070 -11.934 7.286 130 HG SER 23 HG SER 23 -1.418 -12.606 6.938 131 H ARG 24 H ARG 24 -1.590 -10.039 5.305 132 HA ARG 24 HA ARG 24 -2.008 -10.866 2.508 133 HB2 ARG 24 1HB ARG 24 -4.062 -10.866 4.728 134 HB3 ARG 24 2HB ARG 24 -4.364 -11.292 3.049 135 HG2 ARG 24 1HG ARG 24 -3.103 -13.267 3.209 136 HG3 ARG 24 2HG ARG 24 -2.362 -12.763 4.730 137 HD2 ARG 24 1HD ARG 24 -4.759 -12.770 5.659 138 HD3 ARG 24 2HD ARG 24 -5.163 -13.707 4.221 139 HE ARG 24 HE ARG 24 -3.711 -14.613 6.528 140 HH11 ARG 24 1HH1 ARG 24 -4.282 -15.110 3.130 141 HH12 ARG 24 2HH1 ARG 24 -3.812 -16.777 3.162 142 HH21 ARG 24 1HH2 ARG 24 -3.089 -16.807 6.582 143 HH22 ARG 24 2HH2 ARG 24 -3.134 -17.742 5.126 144 H LYS 25 H LYS 25 -2.746 -9.347 1.147 145 HA LYS 25 HA LYS 25 -2.550 -6.694 1.482 146 HB2 LYS 25 1HB LYS 25 -3.058 -7.576 -0.683 147 HB3 LYS 25 2HB LYS 25 -4.616 -8.182 -0.138 148 HG2 LYS 25 1HG LYS 25 -5.016 -6.241 -1.442 149 HG3 LYS 25 2HG LYS 25 -5.314 -5.814 0.245 150 HD2 LYS 25 1HD LYS 25 -4.044 -4.021 -0.376 151 HD3 LYS 25 2HD LYS 25 -2.759 -5.119 0.135 152 HE2 LYS 25 1HE LYS 25 -2.693 -5.888 -2.300 153 HE3 LYS 25 2HE LYS 25 -3.664 -4.459 -2.654 154 HZ1 LYS 25 3HZ LYS 25 -1.198 -4.139 -1.097 155 HZ2 LYS 25 1HZ LYS 25 -1.950 -3.056 -2.158 156 HZ3 LYS 25 2HZ LYS 25 -1.076 -4.368 -2.769 157 H ASP 26 H ASP 26 -5.505 -8.547 2.171 158 HA ASP 26 HA ASP 26 -7.292 -6.651 2.857 159 HB2 ASP 26 1HB ASP 26 -7.613 -9.133 3.051 160 HB3 ASP 26 2HB ASP 26 -6.763 -9.069 4.592 161 H GLN 27 H GLN 27 -4.904 -7.962 5.161 162 HA GLN 27 HA GLN 27 -5.473 -6.261 7.283 163 HB2 GLN 27 1HB GLN 27 -2.739 -7.336 6.581 164 HB3 GLN 27 2HB GLN 27 -3.310 -6.854 8.173 165 HG2 GLN 27 1HG GLN 27 -5.123 -8.700 7.722 166 HG3 GLN 27 2HG GLN 27 -3.903 -9.307 6.604 167 HE21 GLN 27 1HE2 GLN 27 -4.046 -11.150 8.131 168 HE22 GLN 27 2HE2 GLN 27 -3.017 -11.128 9.518 169 H LEU 28 H LEU 28 -3.466 -5.753 4.449 170 HA LEU 28 HA LEU 28 -2.211 -3.373 5.342 171 HB2 LEU 28 1HB LEU 28 -1.373 -4.769 3.492 172 HB3 LEU 28 2HB LEU 28 -2.763 -4.288 2.523 173 HG LEU 28 HG LEU 28 -1.798 -1.866 3.014 174 HD11 LEU 28 1HD1 LEU 28 0.052 -2.212 4.324 175 HD12 LEU 28 2HD1 LEU 28 0.779 -2.210 2.717 176 HD13 LEU 28 3HD1 LEU 28 0.461 -3.737 3.539 177 HD21 LEU 28 3HD2 LEU 28 -0.460 -2.123 0.890 178 HD22 LEU 28 1HD2 LEU 28 -2.147 -2.632 0.802 179 HD23 LEU 28 2HD2 LEU 28 -0.868 -3.839 0.940 180 H VAL 29 H VAL 29 -5.060 -3.971 3.307 181 HA VAL 29 HA VAL 29 -5.719 -1.390 2.609 182 HB VAL 29 HB VAL 29 -7.622 -3.620 3.342 183 HG11 VAL 29 1HG1 VAL 29 -8.114 -1.130 1.711 184 HG12 VAL 29 2HG1 VAL 29 -9.271 -2.431 2.002 185 HG13 VAL 29 3HG1 VAL 29 -8.718 -1.426 3.341 186 HG21 VAL 29 3HG2 VAL 29 -6.565 -4.551 1.569 187 HG22 VAL 29 1HG2 VAL 29 -7.665 -3.513 0.662 188 HG23 VAL 29 2HG2 VAL 29 -6.003 -2.999 0.949 189 H SER 30 H SER 30 -6.930 -3.156 5.465 190 HA SER 30 HA SER 30 -8.390 -1.117 6.621 191 HB2 SER 30 1HB SER 30 -8.306 -2.350 8.653 192 HB3 SER 30 2HB SER 30 -8.223 -3.550 7.364 193 HG SER 30 HG SER 30 -6.568 -4.155 8.572 194 H HIS 31 H HIS 31 -4.932 -1.648 6.636 195 HA HIS 31 HA HIS 31 -4.361 0.299 8.656 196 HB2 HIS 31 1HB HIS 31 -2.822 -1.557 8.209 197 HB3 HIS 31 2HB HIS 31 -2.553 -0.952 6.577 198 HD1 HIS 31 HD1 HIS 31 -2.192 0.420 10.116 199 HD2 HIS 31 HD2 HIS 31 -0.301 0.521 6.417 200 HE1 HIS 31 HE1 HIS 31 -0.119 1.801 10.458 201 H GLN 32 H GLN 32 -3.885 0.250 5.121 202 HA GLN 32 HA GLN 32 -2.979 2.855 4.820 203 HB2 GLN 32 1HB GLN 32 -4.625 1.159 2.938 204 HB3 GLN 32 2HB GLN 32 -3.865 2.678 2.481 205 HG2 GLN 32 1HG GLN 32 -1.669 1.676 3.135 206 HG3 GLN 32 2HG GLN 32 -2.506 0.137 3.334 207 HE21 GLN 32 1HE2 GLN 32 -0.588 -0.055 1.641 208 HE22 GLN 32 2HE2 GLN 32 -1.113 -0.003 -0.004 209 H LYS 33 H LYS 33 -6.115 1.719 5.609 210 HA LYS 33 HA LYS 33 -7.708 3.807 4.619 211 HB2 LYS 33 1HB LYS 33 -8.011 1.878 6.903 212 HB3 LYS 33 2HB LYS 33 -9.207 3.138 6.628 213 HG2 LYS 33 1HG LYS 33 -9.706 2.271 4.448 214 HG3 LYS 33 2HG LYS 33 -8.390 1.100 4.568 215 HD2 LYS 33 1HD LYS 33 -10.147 -0.237 5.158 216 HD3 LYS 33 2HD LYS 33 -9.706 0.386 6.750 217 HE2 LYS 33 1HE LYS 33 -11.763 1.720 5.010 218 HE3 LYS 33 2HE LYS 33 -12.177 0.422 6.130 219 HZ1 LYS 33 3HZ LYS 33 -12.484 2.160 7.512 220 HZ2 LYS 33 1HZ LYS 33 -11.419 3.177 6.680 221 HZ3 LYS 33 2HZ LYS 33 -10.815 2.012 7.747 222 H THR 34 H THR 34 -5.735 3.534 7.500 223 HA THR 34 HA THR 34 -6.677 6.131 8.467 224 HB THR 34 HB THR 34 -6.357 4.097 10.004 225 HG1 THR 34 HG1 THR 34 -6.657 6.029 11.005 226 HG21 THR 34 3HG2 THR 34 -3.603 4.806 10.554 227 HG22 THR 34 1HG2 THR 34 -3.793 4.162 8.924 228 HG23 THR 34 2HG2 THR 34 -4.328 3.216 10.313 229 H HIS 35 H HIS 35 -5.103 5.983 6.051 230 HA HIS 35 HA HIS 35 -2.772 7.548 6.935 231 HB2 HIS 35 1HB HIS 35 -2.897 5.260 5.034 232 HB3 HIS 35 2HB HIS 35 -1.816 6.592 4.632 233 HD1 HIS 35 HD1 HIS 35 -0.119 7.232 6.733 234 HD2 HIS 35 HD2 HIS 35 -1.750 3.412 6.635 235 HE1 HIS 35 HE1 HIS 35 1.352 5.834 8.219 236 H SER 36 H SER 36 -2.147 9.265 5.580 237 HA SER 36 HA SER 36 -4.220 10.084 3.652 238 HB2 SER 36 1HB SER 36 -3.641 12.411 4.198 239 HB3 SER 36 2HB SER 36 -4.136 11.528 5.642 240 HG SER 36 HG SER 36 -2.081 12.899 5.606 241 H GLY 37 H GLY 37 -3.320 9.309 1.779 242 HA2 GLY 37 1HA GLY 37 -0.583 9.484 1.104 243 HA3 GLY 37 2HA GLY 37 -1.903 9.211 -0.025 244 H GLN 38 H GLN 38 0.390 10.750 -0.600 245 HA GLN 38 HA GLN 38 -0.538 13.522 -0.507 246 HB2 GLN 38 1HB GLN 38 1.852 12.823 0.074 247 HB3 GLN 38 2HB GLN 38 2.074 12.549 -1.649 248 HG2 GLN 38 1HG GLN 38 2.891 14.687 -1.348 249 HG3 GLN 38 2HG GLN 38 1.249 14.967 -1.925 250 HE21 GLN 38 1HE2 GLN 38 3.491 15.773 0.377 251 HE22 GLN 38 2HE2 GLN 38 2.440 16.485 1.549 252 H SER 39 H SER 39 0.540 11.092 -2.863 253 HA SER 39 HA SER 39 -0.706 12.699 -4.990 254 HB2 SER 39 1HB SER 39 1.804 11.945 -5.044 255 HB3 SER 39 2HB SER 39 1.132 10.393 -5.544 256 HG SER 39 HG SER 39 1.297 11.360 -7.437 257 H GLY 40 H GLY 40 -2.428 11.278 -3.391 258 HA2 GLY 40 1HA GLY 40 -2.996 8.656 -4.242 259 HA3 GLY 40 2HA GLY 40 -4.137 9.749 -3.473 260 HA PRO 41 HA PRO 41 -4.819 9.158 -8.207 261 HB2 PRO 41 1HB PRO 41 -6.420 6.965 -8.245 262 HB3 PRO 41 2HB PRO 41 -4.662 6.874 -8.408 263 HG2 PRO 41 1HG PRO 41 -6.366 6.413 -5.990 264 HG3 PRO 41 2HG PRO 41 -4.970 5.484 -6.570 265 HD2 PRO 41 1HD PRO 41 -4.786 7.289 -4.560 266 HD3 PRO 41 2HD PRO 41 -3.452 6.977 -5.688 267 H SER 42 H SER 42 -6.073 11.018 -7.991 268 HA SER 42 HA SER 42 -8.929 10.530 -7.726 269 HB2 SER 42 1HB SER 42 -9.242 12.434 -6.180 270 HB3 SER 42 2HB SER 42 -8.277 11.150 -5.451 271 HG SER 42 HG SER 42 -6.421 12.469 -6.278 272 H SER 43 H SER 43 -10.073 11.670 -9.168 273 HA SER 43 HA SER 43 -9.030 14.168 -10.237 274 HB2 SER 43 1HB SER 43 -9.318 13.395 -12.587 275 HB3 SER 43 2HB SER 43 -8.033 12.537 -11.737 276 HG SER 43 HG SER 43 -10.011 11.048 -11.260 277 H GLY 44 H GLY 44 -10.676 15.528 -10.039 278 HA2 GLY 44 1HA GLY 44 -12.815 16.365 -9.988 279 HA3 GLY 44 2HA GLY 44 -13.077 15.350 -11.399 Start of MODEL 12 1 H1 GLY 1 H GLY 1 27.997 -0.251 0.398 2 HA2 GLY 1 1HA GLY 1 26.689 1.843 0.958 3 HA3 GLY 1 2HA GLY 1 26.420 1.954 -0.775 4 H SER 2 H SER 2 24.694 1.472 1.739 5 HA SER 2 HA SER 2 23.486 -1.095 1.145 6 HB2 SER 2 1HB SER 2 22.153 -0.757 3.085 7 HB3 SER 2 2HB SER 2 23.749 -0.124 3.487 8 HG SER 2 HG SER 2 21.374 1.276 2.911 9 H SER 3 H SER 3 21.014 -1.135 1.029 10 HA SER 3 HA SER 3 20.228 0.642 -1.145 11 HB2 SER 3 1HB SER 3 18.784 -1.770 -0.019 12 HB3 SER 3 2HB SER 3 18.389 -0.917 -1.511 13 HG SER 3 HG SER 3 19.652 -2.824 -1.849 14 H GLY 4 H GLY 4 18.860 -0.515 1.940 15 HA2 GLY 4 1HA GLY 4 17.628 2.117 2.305 16 HA3 GLY 4 2HA GLY 4 16.571 0.713 2.303 17 H SER 5 H SER 5 16.456 2.181 4.497 18 HA SER 5 HA SER 5 18.362 1.286 6.478 19 HB2 SER 5 1HB SER 5 15.796 2.830 6.908 20 HB3 SER 5 2HB SER 5 17.153 2.694 8.025 21 HG SER 5 HG SER 5 17.032 4.066 5.557 22 H SER 6 H SER 6 17.148 -0.893 5.331 23 HA SER 6 HA SER 6 16.113 -2.239 7.612 24 HB2 SER 6 1HB SER 6 13.876 -2.726 6.853 25 HB3 SER 6 2HB SER 6 14.083 -0.974 6.853 26 HG SER 6 HG SER 6 14.790 -1.543 4.503 27 H GLY 7 H GLY 7 16.843 -4.252 7.466 28 HA2 GLY 7 1HA GLY 7 16.952 -5.532 4.818 29 HA3 GLY 7 2HA GLY 7 18.393 -5.501 5.823 30 H THR 8 H THR 8 14.964 -6.446 5.975 31 HA THR 8 HA THR 8 15.799 -8.806 7.533 32 HB THR 8 HB THR 8 14.574 -7.405 9.035 33 HG1 THR 8 HG1 THR 8 13.832 -9.373 9.477 34 HG21 THR 8 3HG2 THR 8 13.309 -5.852 7.972 35 HG22 THR 8 1HG2 THR 8 12.033 -7.042 8.222 36 HG23 THR 8 2HG2 THR 8 12.863 -6.953 6.669 37 H GLY 9 H GLY 9 14.486 -7.714 4.671 38 HA2 GLY 9 1HA GLY 9 14.182 -9.832 3.201 39 HA3 GLY 9 2HA GLY 9 12.826 -10.108 4.283 40 H GLU 10 H GLU 10 11.713 -10.074 2.123 41 HA GLU 10 HA GLU 10 10.779 -7.342 1.604 42 HB2 GLU 10 1HB GLU 10 11.933 -9.269 -0.352 43 HB3 GLU 10 2HB GLU 10 10.575 -8.284 -0.876 44 HG2 GLU 10 1HG GLU 10 11.824 -6.263 -0.260 45 HG3 GLU 10 2HG GLU 10 13.193 -7.269 0.206 46 H ASN 11 H ASN 11 8.647 -7.211 1.784 47 HA ASN 11 HA ASN 11 7.067 -9.682 1.553 48 HB2 ASN 11 1HB ASN 11 6.701 -7.170 3.164 49 HB3 ASN 11 2HB ASN 11 5.331 -8.222 2.817 50 HD21 ASN 11 1HD2 ASN 11 4.897 -9.574 4.386 51 HD22 ASN 11 2HD2 ASN 11 6.041 -10.301 5.458 52 HA PRO 12 HA PRO 12 4.954 -8.178 -1.991 53 HB2 PRO 12 1HB PRO 12 2.518 -9.328 -1.651 54 HB3 PRO 12 2HB PRO 12 3.957 -10.244 -2.115 55 HG2 PRO 12 1HG PRO 12 2.691 -9.941 0.581 56 HG3 PRO 12 2HG PRO 12 3.344 -11.398 -0.191 57 HD2 PRO 12 1HD PRO 12 4.719 -9.997 1.674 58 HD3 PRO 12 2HD PRO 12 5.520 -10.860 0.346 59 H TYR 13 H TYR 13 3.757 -7.517 1.190 60 HA TYR 13 HA TYR 13 2.300 -5.191 0.129 61 HB2 TYR 13 1HB TYR 13 1.382 -6.771 2.531 62 HB3 TYR 13 2HB TYR 13 0.517 -5.490 1.688 63 HD1 TYR 13 HD2 TYR 13 -0.472 -5.924 -0.539 64 HD2 TYR 13 HD1 TYR 13 1.328 -9.029 1.746 65 HE1 TYR 13 HE2 TYR 13 -1.592 -7.601 -1.946 66 HE2 TYR 13 HE1 TYR 13 0.214 -10.715 0.344 67 HH TYR 13 HH TYR 13 -2.090 -10.614 -1.175 68 H GLU 14 H GLU 14 3.512 -3.506 0.709 69 HA GLU 14 HA GLU 14 4.343 -3.315 3.525 70 HB2 GLU 14 1HB GLU 14 6.283 -3.836 2.061 71 HB3 GLU 14 2HB GLU 14 5.961 -2.363 1.156 72 HG2 GLU 14 1HG GLU 14 6.561 -0.991 2.955 73 HG3 GLU 14 2HG GLU 14 6.469 -2.320 4.109 74 H CYS 15 H CYS 15 3.866 -1.443 4.521 75 HA CYS 15 HA CYS 15 2.369 0.542 3.013 76 HB2 CYS 15 1HB CYS 15 1.533 -0.331 5.196 77 HB3 CYS 15 2HB CYS 15 2.917 0.418 5.985 78 H CYS 16 H CYS 16 4.299 1.261 1.836 79 HA CYS 16 HA CYS 16 6.604 2.317 2.821 80 HB2 CYS 16 1HB CYS 16 5.831 2.192 0.395 81 HB3 CYS 16 2HB CYS 16 5.012 3.725 0.679 82 H GLU 17 H GLU 17 3.420 3.829 2.821 83 HA GLU 17 HA GLU 17 3.847 6.410 3.424 84 HB2 GLU 17 1HB GLU 17 1.941 4.537 4.834 85 HB3 GLU 17 2HB GLU 17 1.883 6.288 4.981 86 HG2 GLU 17 1HG GLU 17 1.317 6.555 2.701 87 HG3 GLU 17 2HG GLU 17 1.683 4.868 2.343 88 H CYS 18 H CYS 18 3.719 3.930 5.990 89 HA CYS 18 HA CYS 18 5.373 5.696 7.661 90 HB2 CYS 18 1HB CYS 18 4.505 4.483 9.580 91 HB3 CYS 18 2HB CYS 18 3.167 5.053 8.587 92 H GLY 19 H GLY 19 5.030 2.358 6.536 93 HA2 GLY 19 1HA GLY 19 7.192 1.323 5.850 94 HA3 GLY 19 2HA GLY 19 7.820 1.886 7.391 95 H LYS 20 H LYS 20 4.639 0.469 6.870 96 HA LYS 20 HA LYS 20 5.343 -1.645 8.769 97 HB2 LYS 20 1HB LYS 20 2.730 -0.505 7.809 98 HB3 LYS 20 2HB LYS 20 2.795 -2.042 8.662 99 HG2 LYS 20 1HG LYS 20 4.151 0.294 9.893 100 HG3 LYS 20 2HG LYS 20 2.387 0.238 9.922 101 HD2 LYS 20 1HD LYS 20 2.393 -1.831 11.100 102 HD3 LYS 20 2HD LYS 20 4.128 -2.038 10.852 103 HE2 LYS 20 1HE LYS 20 3.858 -1.319 13.089 104 HE3 LYS 20 2HE LYS 20 4.448 0.078 12.189 105 HZ1 LYS 20 3HZ LYS 20 1.588 -0.409 12.816 106 HZ2 LYS 20 1HZ LYS 20 2.255 0.984 12.125 107 HZ3 LYS 20 2HZ LYS 20 2.603 0.586 13.732 108 H VAL 21 H VAL 21 4.026 -3.763 8.311 109 HA VAL 21 HA VAL 21 4.007 -4.437 5.470 110 HB VAL 21 HB VAL 21 5.555 -6.105 7.455 111 HG11 VAL 21 1HG1 VAL 21 6.425 -7.001 5.157 112 HG12 VAL 21 2HG1 VAL 21 4.893 -7.579 5.815 113 HG13 VAL 21 3HG1 VAL 21 4.904 -6.346 4.553 114 HG21 VAL 21 3HG2 VAL 21 6.753 -4.463 5.242 115 HG22 VAL 21 1HG2 VAL 21 6.553 -3.830 6.876 116 HG23 VAL 21 2HG2 VAL 21 7.567 -5.246 6.597 117 H PHE 22 H PHE 22 2.947 -6.477 5.015 118 HA PHE 22 HA PHE 22 1.449 -7.708 7.179 119 HB2 PHE 22 1HB PHE 22 0.087 -6.352 4.843 120 HB3 PHE 22 2HB PHE 22 -0.717 -7.419 5.989 121 HD1 PHE 22 HD2 PHE 22 0.989 -4.175 5.607 122 HD2 PHE 22 HD1 PHE 22 -1.395 -6.648 8.120 123 HE1 PHE 22 HE2 PHE 22 0.561 -2.255 7.084 124 HE2 PHE 22 HE1 PHE 22 -1.828 -4.732 9.601 125 HZ PHE 22 HZ PHE 22 -0.848 -2.532 9.085 126 H SER 23 H SER 23 0.096 -9.566 6.317 127 HA SER 23 HA SER 23 1.732 -11.038 4.403 128 HB2 SER 23 1HB SER 23 -0.279 -11.798 6.488 129 HB3 SER 23 2HB SER 23 0.053 -12.919 5.167 130 HG SER 23 HG SER 23 1.590 -13.484 6.531 131 H ARG 24 H ARG 24 -1.668 -10.152 4.912 132 HA ARG 24 HA ARG 24 -2.149 -10.711 2.059 133 HB2 ARG 24 1HB ARG 24 -4.111 -10.883 4.353 134 HB3 ARG 24 2HB ARG 24 -4.500 -11.147 2.659 135 HG2 ARG 24 1HG ARG 24 -3.129 -13.105 2.581 136 HG3 ARG 24 2HG ARG 24 -2.510 -12.791 4.203 137 HD2 ARG 24 1HD ARG 24 -4.769 -13.086 5.111 138 HD3 ARG 24 2HD ARG 24 -5.372 -13.418 3.488 139 HE ARG 24 HE ARG 24 -3.310 -15.211 3.976 140 HH11 ARG 24 1HH1 ARG 24 -6.461 -14.470 5.257 141 HH12 ARG 24 2HH1 ARG 24 -6.778 -16.094 5.770 142 HH21 ARG 24 1HH2 ARG 24 -3.716 -17.353 4.647 143 HH22 ARG 24 2HH2 ARG 24 -5.215 -17.733 5.424 144 H LYS 25 H LYS 25 -2.797 -9.060 0.833 145 HA LYS 25 HA LYS 25 -2.630 -6.452 1.368 146 HB2 LYS 25 1HB LYS 25 -3.260 -7.491 -0.836 147 HB3 LYS 25 2HB LYS 25 -4.922 -7.557 -0.262 148 HG2 LYS 25 1HG LYS 25 -4.911 -5.617 -1.496 149 HG3 LYS 25 2HG LYS 25 -4.616 -5.012 0.136 150 HD2 LYS 25 1HD LYS 25 -2.321 -4.691 -0.286 151 HD3 LYS 25 2HD LYS 25 -2.371 -5.674 -1.751 152 HE2 LYS 25 1HE LYS 25 -4.035 -3.199 -1.564 153 HE3 LYS 25 2HE LYS 25 -2.312 -3.069 -1.914 154 HZ1 LYS 25 3HZ LYS 25 -2.581 -3.905 -3.966 155 HZ2 LYS 25 1HZ LYS 25 -4.189 -3.416 -3.776 156 HZ3 LYS 25 2HZ LYS 25 -3.756 -5.026 -3.491 157 H ASP 26 H ASP 26 -5.633 -8.305 1.847 158 HA ASP 26 HA ASP 26 -7.384 -6.464 2.717 159 HB2 ASP 26 1HB ASP 26 -6.818 -9.233 3.714 160 HB3 ASP 26 2HB ASP 26 -8.047 -8.255 4.512 161 H GLN 27 H GLN 27 -5.022 -8.016 4.894 162 HA GLN 27 HA GLN 27 -5.585 -6.483 7.154 163 HB2 GLN 27 1HB GLN 27 -2.895 -7.630 6.393 164 HB3 GLN 27 2HB GLN 27 -3.442 -7.220 8.013 165 HG2 GLN 27 1HG GLN 27 -5.356 -8.939 7.409 166 HG3 GLN 27 2HG GLN 27 -4.120 -9.549 6.311 167 HE21 GLN 27 1HE2 GLN 27 -3.814 -11.457 7.399 168 HE22 GLN 27 2HE2 GLN 27 -3.072 -11.546 8.957 169 H LEU 28 H LEU 28 -3.588 -5.797 4.368 170 HA LEU 28 HA LEU 28 -2.250 -3.544 5.494 171 HB2 LEU 28 1HB LEU 28 -1.364 -4.821 3.592 172 HB3 LEU 28 2HB LEU 28 -2.714 -4.268 2.604 173 HG LEU 28 HG LEU 28 -1.735 -1.891 3.282 174 HD11 LEU 28 1HD1 LEU 28 0.068 -2.407 4.628 175 HD12 LEU 28 2HD1 LEU 28 0.828 -2.207 3.049 176 HD13 LEU 28 3HD1 LEU 28 0.509 -3.825 3.675 177 HD21 LEU 28 3HD2 LEU 28 -0.730 -1.796 1.146 178 HD22 LEU 28 1HD2 LEU 28 -2.059 -2.947 1.006 179 HD23 LEU 28 2HD2 LEU 28 -0.399 -3.529 1.141 180 H VAL 29 H VAL 29 -5.000 -3.896 3.266 181 HA VAL 29 HA VAL 29 -5.594 -1.309 2.676 182 HB VAL 29 HB VAL 29 -7.595 -3.447 3.423 183 HG11 VAL 29 1HG1 VAL 29 -8.325 -1.388 1.460 184 HG12 VAL 29 2HG1 VAL 29 -9.278 -2.113 2.756 185 HG13 VAL 29 3HG1 VAL 29 -8.146 -0.809 3.116 186 HG21 VAL 29 3HG2 VAL 29 -5.807 -3.716 1.496 187 HG22 VAL 29 1HG2 VAL 29 -7.475 -4.249 1.286 188 HG23 VAL 29 2HG2 VAL 29 -6.951 -2.704 0.615 189 H SER 30 H SER 30 -6.896 -3.033 5.517 190 HA SER 30 HA SER 30 -8.199 -0.898 6.702 191 HB2 SER 30 1HB SER 30 -8.204 -2.170 8.728 192 HB3 SER 30 2HB SER 30 -8.288 -3.330 7.402 193 HG SER 30 HG SER 30 -5.877 -3.354 7.659 194 H HIS 31 H HIS 31 -4.806 -1.824 6.879 195 HA HIS 31 HA HIS 31 -4.071 0.017 8.905 196 HB2 HIS 31 1HB HIS 31 -2.668 -1.903 8.389 197 HB3 HIS 31 2HB HIS 31 -2.405 -1.304 6.753 198 HD1 HIS 31 HD1 HIS 31 -1.720 -0.195 10.327 199 HD2 HIS 31 HD2 HIS 31 -0.160 0.189 6.495 200 HE1 HIS 31 HE1 HIS 31 0.436 1.069 10.603 201 H GLN 32 H GLN 32 -3.903 0.149 5.361 202 HA GLN 32 HA GLN 32 -2.744 2.731 5.241 203 HB2 GLN 32 1HB GLN 32 -4.233 1.042 3.244 204 HB3 GLN 32 2HB GLN 32 -3.671 2.660 2.847 205 HG2 GLN 32 1HG GLN 32 -1.368 1.840 3.606 206 HG3 GLN 32 2HG GLN 32 -2.059 0.222 3.493 207 HE21 GLN 32 1HE2 GLN 32 -0.292 0.025 1.895 208 HE22 GLN 32 2HE2 GLN 32 -0.621 0.481 0.262 209 H LYS 33 H LYS 33 -5.997 1.586 5.610 210 HA LYS 33 HA LYS 33 -7.411 3.847 4.739 211 HB2 LYS 33 1HB LYS 33 -8.028 1.664 6.712 212 HB3 LYS 33 2HB LYS 33 -9.156 2.987 6.445 213 HG2 LYS 33 1HG LYS 33 -8.794 2.291 3.915 214 HG3 LYS 33 2HG LYS 33 -8.403 0.741 4.664 215 HD2 LYS 33 1HD LYS 33 -10.915 2.288 5.274 216 HD3 LYS 33 2HD LYS 33 -10.817 1.057 4.013 217 HE2 LYS 33 1HE LYS 33 -11.688 -0.002 5.954 218 HE3 LYS 33 2HE LYS 33 -10.019 -0.542 5.777 219 HZ1 LYS 33 3HZ LYS 33 -10.490 1.811 7.438 220 HZ2 LYS 33 1HZ LYS 33 -9.367 0.559 7.628 221 HZ3 LYS 33 2HZ LYS 33 -10.984 0.319 8.064 222 H THR 34 H THR 34 -5.566 3.259 7.600 223 HA THR 34 HA THR 34 -6.663 5.646 8.905 224 HB THR 34 HB THR 34 -6.446 3.537 10.235 225 HG1 THR 34 HG1 THR 34 -5.159 4.713 11.963 226 HG21 THR 34 3HG2 THR 34 -4.555 2.373 9.908 227 HG22 THR 34 1HG2 THR 34 -3.814 3.518 11.024 228 HG23 THR 34 2HG2 THR 34 -3.693 3.779 9.284 229 H HIS 35 H HIS 35 -4.937 5.806 6.558 230 HA HIS 35 HA HIS 35 -2.712 7.314 7.761 231 HB2 HIS 35 1HB HIS 35 -2.684 5.315 5.550 232 HB3 HIS 35 2HB HIS 35 -1.605 6.701 5.421 233 HD1 HIS 35 HD1 HIS 35 -0.165 7.044 7.829 234 HD2 HIS 35 HD2 HIS 35 -1.496 3.246 6.798 235 HE1 HIS 35 HE1 HIS 35 1.263 5.450 9.149 236 H SER 36 H SER 36 -2.046 9.195 6.645 237 HA SER 36 HA SER 36 -2.405 11.152 5.542 238 HB2 SER 36 1HB SER 36 -3.699 9.285 3.540 239 HB3 SER 36 2HB SER 36 -3.322 10.980 3.228 240 HG SER 36 HG SER 36 -1.694 8.815 3.166 241 H GLY 37 H GLY 37 -4.266 10.474 7.552 242 HA2 GLY 37 1HA GLY 37 -6.695 11.776 6.483 243 HA3 GLY 37 2HA GLY 37 -6.773 10.482 7.669 244 H GLN 38 H GLN 38 -7.767 13.245 7.811 245 HA GLN 38 HA GLN 38 -7.851 15.007 9.254 246 HB2 GLN 38 1HB GLN 38 -8.147 12.914 10.745 247 HB3 GLN 38 2HB GLN 38 -6.505 13.244 11.283 248 HG2 GLN 38 1HG GLN 38 -7.128 15.345 12.184 249 HG3 GLN 38 2HG GLN 38 -8.712 15.277 11.414 250 HE21 GLN 38 1HE2 GLN 38 -10.096 13.423 12.094 251 HE22 GLN 38 2HE2 GLN 38 -10.069 12.981 13.764 252 H SER 39 H SER 39 -5.680 15.150 7.581 253 HA SER 39 HA SER 39 -3.388 15.879 9.246 254 HB2 SER 39 1HB SER 39 -3.206 14.481 7.091 255 HB3 SER 39 2HB SER 39 -3.481 15.998 6.235 256 HG SER 39 HG SER 39 -1.656 16.811 7.526 257 H GLY 40 H GLY 40 -5.710 17.500 9.438 258 HA2 GLY 40 1HA GLY 40 -5.347 19.928 9.822 259 HA3 GLY 40 2HA GLY 40 -4.735 19.989 8.176 260 HA PRO 41 HA PRO 41 -9.521 20.446 8.548 261 HB2 PRO 41 1HB PRO 41 -9.781 23.114 8.977 262 HB3 PRO 41 2HB PRO 41 -9.713 21.932 10.290 263 HG2 PRO 41 1HG PRO 41 -7.542 23.685 9.206 264 HG3 PRO 41 2HG PRO 41 -7.939 23.310 10.893 265 HD2 PRO 41 1HD PRO 41 -5.912 22.098 9.568 266 HD3 PRO 41 2HD PRO 41 -6.858 21.275 10.826 267 H SER 42 H SER 42 -6.880 21.757 6.902 268 HA SER 42 HA SER 42 -8.037 23.496 5.059 269 HB2 SER 42 1HB SER 42 -6.092 23.143 3.699 270 HB3 SER 42 2HB SER 42 -5.572 23.060 5.382 271 HG SER 42 HG SER 42 -4.696 21.349 4.164 272 H SER 43 H SER 43 -7.571 19.979 4.847 273 HA SER 43 HA SER 43 -9.615 19.931 2.725 274 HB2 SER 43 1HB SER 43 -7.550 19.396 1.652 275 HB3 SER 43 2HB SER 43 -7.078 18.307 2.957 276 HG SER 43 HG SER 43 -9.309 17.912 1.246 277 H GLY 44 H GLY 44 -10.864 17.940 2.592 278 HA2 GLY 44 1HA GLY 44 -11.181 16.716 5.259 279 HA3 GLY 44 2HA GLY 44 -12.486 16.938 4.102 Start of MODEL 13 1 H1 GLY 1 H GLY 1 27.573 -9.324 7.371 2 HA2 GLY 1 1HA GLY 1 25.314 -10.228 8.429 3 HA3 GLY 1 2HA GLY 1 24.791 -8.632 7.914 4 H SER 2 H SER 2 23.518 -8.955 6.203 5 HA SER 2 HA SER 2 22.812 -9.572 4.130 6 HB2 SER 2 1HB SER 2 25.801 -9.721 3.766 7 HB3 SER 2 2HB SER 2 24.686 -10.073 2.445 8 HG SER 2 HG SER 2 24.072 -8.012 2.385 9 H SER 3 H SER 3 22.677 -11.539 6.078 10 HA SER 3 HA SER 3 23.798 -14.010 5.238 11 HB2 SER 3 1HB SER 3 22.294 -15.028 6.876 12 HB3 SER 3 2HB SER 3 23.050 -13.589 7.559 13 HG SER 3 HG SER 3 20.606 -13.263 6.262 14 H GLY 4 H GLY 4 23.196 -15.313 3.641 15 HA2 GLY 4 1HA GLY 4 21.403 -14.797 1.676 16 HA3 GLY 4 2HA GLY 4 21.832 -16.434 2.149 17 H SER 5 H SER 5 19.411 -13.996 2.182 18 HA SER 5 HA SER 5 17.704 -15.283 4.104 19 HB2 SER 5 1HB SER 5 16.062 -13.592 3.486 20 HB3 SER 5 2HB SER 5 17.639 -12.833 3.700 21 HG SER 5 HG SER 5 16.970 -13.713 1.142 22 H SER 6 H SER 6 17.167 -17.326 3.507 23 HA SER 6 HA SER 6 16.365 -17.966 0.818 24 HB2 SER 6 1HB SER 6 16.007 -20.226 1.681 25 HB3 SER 6 2HB SER 6 17.559 -19.602 2.237 26 HG SER 6 HG SER 6 16.455 -20.562 3.954 27 H GLY 7 H GLY 7 14.396 -17.742 -0.004 28 HA2 GLY 7 1HA GLY 7 11.996 -18.519 0.664 29 HA3 GLY 7 2HA GLY 7 12.165 -17.212 1.827 30 H THR 8 H THR 8 10.151 -16.592 0.560 31 HA THR 8 HA THR 8 10.325 -15.650 -2.084 32 HB THR 8 HB THR 8 8.463 -14.646 0.076 33 HG1 THR 8 HG1 THR 8 7.050 -16.282 -0.890 34 HG21 THR 8 3HG2 THR 8 8.610 -14.322 -2.873 35 HG22 THR 8 1HG2 THR 8 8.046 -13.196 -1.639 36 HG23 THR 8 2HG2 THR 8 7.014 -14.530 -2.154 37 H GLY 9 H GLY 9 10.692 -13.978 1.029 38 HA2 GLY 9 1HA GLY 9 12.374 -12.254 1.251 39 HA3 GLY 9 2HA GLY 9 12.068 -11.810 -0.421 40 H GLU 10 H GLU 10 11.694 -9.646 0.103 41 HA GLU 10 HA GLU 10 10.042 -8.648 2.080 42 HB2 GLU 10 1HB GLU 10 9.834 -6.631 0.699 43 HB3 GLU 10 2HB GLU 10 11.488 -7.227 0.718 44 HG2 GLU 10 1HG GLU 10 10.962 -8.370 -1.474 45 HG3 GLU 10 2HG GLU 10 9.475 -7.423 -1.499 46 H ASN 11 H ASN 11 7.889 -8.339 2.337 47 HA ASN 11 HA ASN 11 6.120 -9.884 0.675 48 HB2 ASN 11 1HB ASN 11 5.664 -8.163 3.116 49 HB3 ASN 11 2HB ASN 11 4.364 -9.006 2.280 50 HD21 ASN 11 1HD2 ASN 11 4.937 -9.470 4.931 51 HD22 ASN 11 2HD2 ASN 11 5.561 -11.071 5.108 52 HA PRO 12 HA PRO 12 4.830 -6.688 -2.063 53 HB2 PRO 12 1HB PRO 12 2.399 -7.672 -2.763 54 HB3 PRO 12 2HB PRO 12 3.918 -8.362 -3.346 55 HG2 PRO 12 1HG PRO 12 2.150 -9.288 -1.114 56 HG3 PRO 12 2HG PRO 12 2.969 -10.244 -2.364 57 HD2 PRO 12 1HD PRO 12 3.930 -10.013 0.157 58 HD3 PRO 12 2HD PRO 12 4.989 -10.194 -1.256 59 H TYR 13 H TYR 13 3.464 -7.236 0.942 60 HA TYR 13 HA TYR 13 1.588 -4.986 0.635 61 HB2 TYR 13 1HB TYR 13 1.530 -6.945 2.917 62 HB3 TYR 13 2HB TYR 13 0.245 -5.886 2.346 63 HD1 TYR 13 HD2 TYR 13 -0.020 -6.392 -0.441 64 HD2 TYR 13 HD1 TYR 13 0.921 -9.152 2.658 65 HE1 TYR 13 HE2 TYR 13 -0.928 -8.225 -1.806 66 HE2 TYR 13 HE1 TYR 13 0.016 -10.993 1.301 67 HH TYR 13 HH TYR 13 -1.254 -10.415 -1.966 68 H GLU 14 H GLU 14 3.477 -3.576 0.862 69 HA GLU 14 HA GLU 14 4.300 -3.293 3.677 70 HB2 GLU 14 1HB GLU 14 6.238 -3.859 2.408 71 HB3 GLU 14 2HB GLU 14 5.823 -2.714 1.140 72 HG2 GLU 14 1HG GLU 14 7.522 -1.644 2.276 73 HG3 GLU 14 2HG GLU 14 6.070 -0.924 2.969 74 H CYS 15 H CYS 15 3.731 -1.473 4.670 75 HA CYS 15 HA CYS 15 2.214 0.520 3.288 76 HB2 CYS 15 1HB CYS 15 1.658 -0.096 5.583 77 HB3 CYS 15 2HB CYS 15 3.243 0.437 6.132 78 H CYS 16 H CYS 16 3.268 1.837 1.930 79 HA CYS 16 HA CYS 16 5.927 2.807 2.542 80 HB2 CYS 16 1HB CYS 16 4.084 2.988 0.189 81 HB3 CYS 16 2HB CYS 16 5.421 4.126 0.324 82 H GLU 17 H GLU 17 3.968 3.620 4.405 83 HA GLU 17 HA GLU 17 3.972 6.526 3.934 84 HB2 GLU 17 1HB GLU 17 1.810 4.880 5.258 85 HB3 GLU 17 2HB GLU 17 1.862 6.637 5.263 86 HG2 GLU 17 1HG GLU 17 1.953 5.196 2.661 87 HG3 GLU 17 2HG GLU 17 0.418 5.340 3.516 88 H CYS 18 H CYS 18 3.855 3.963 6.387 89 HA CYS 18 HA CYS 18 5.271 5.779 8.228 90 HB2 CYS 18 1HB CYS 18 4.248 4.585 10.084 91 HB3 CYS 18 2HB CYS 18 2.998 5.184 8.999 92 H GLY 19 H GLY 19 4.952 2.437 7.105 93 HA2 GLY 19 1HA GLY 19 7.077 1.299 6.579 94 HA3 GLY 19 2HA GLY 19 7.700 1.958 8.084 95 H LYS 20 H LYS 20 5.093 -0.124 6.849 96 HA LYS 20 HA LYS 20 5.685 -2.058 8.939 97 HB2 LYS 20 1HB LYS 20 3.138 -0.502 8.758 98 HB3 LYS 20 2HB LYS 20 3.074 -2.178 9.286 99 HG2 LYS 20 1HG LYS 20 4.676 -1.649 11.079 100 HG3 LYS 20 2HG LYS 20 4.657 0.040 10.568 101 HD2 LYS 20 1HD LYS 20 2.064 -1.297 11.167 102 HD3 LYS 20 2HD LYS 20 3.100 -0.825 12.515 103 HE2 LYS 20 1HE LYS 20 3.211 1.466 11.347 104 HE3 LYS 20 2HE LYS 20 1.817 0.904 10.426 105 HZ1 LYS 20 3HZ LYS 20 0.868 0.374 12.755 106 HZ2 LYS 20 1HZ LYS 20 0.843 1.971 12.197 107 HZ3 LYS 20 2HZ LYS 20 2.025 1.481 13.303 108 H VAL 21 H VAL 21 5.522 -4.080 8.194 109 HA VAL 21 HA VAL 21 4.354 -4.469 5.535 110 HB VAL 21 HB VAL 21 6.121 -6.347 7.109 111 HG11 VAL 21 1HG1 VAL 21 6.473 -7.241 4.709 112 HG12 VAL 21 2HG1 VAL 21 4.997 -7.676 5.573 113 HG13 VAL 21 3HG1 VAL 21 4.962 -6.406 4.349 114 HG21 VAL 21 3HG2 VAL 21 7.977 -5.543 5.939 115 HG22 VAL 21 1HG2 VAL 21 6.980 -4.714 4.744 116 HG23 VAL 21 2HG2 VAL 21 7.097 -4.082 6.387 117 H PHE 22 H PHE 22 3.101 -6.405 5.105 118 HA PHE 22 HA PHE 22 1.733 -7.502 7.462 119 HB2 PHE 22 1HB PHE 22 0.426 -6.417 4.962 120 HB3 PHE 22 2HB PHE 22 -0.414 -7.397 6.159 121 HD1 PHE 22 HD2 PHE 22 1.439 -4.218 5.713 122 HD2 PHE 22 HD1 PHE 22 -1.346 -6.420 8.059 123 HE1 PHE 22 HE2 PHE 22 0.935 -2.190 7.011 124 HE2 PHE 22 HE1 PHE 22 -1.856 -4.395 9.361 125 HZ PHE 22 HZ PHE 22 -0.713 -2.277 8.839 126 H SER 23 H SER 23 0.301 -9.421 6.762 127 HA SER 23 HA SER 23 1.982 -11.166 5.128 128 HB2 SER 23 1HB SER 23 0.257 -12.907 6.094 129 HB3 SER 23 2HB SER 23 1.548 -12.275 7.116 130 HG SER 23 HG SER 23 -1.099 -12.078 7.448 131 H ARG 24 H ARG 24 -1.291 -9.890 5.300 132 HA ARG 24 HA ARG 24 -1.752 -10.904 2.575 133 HB2 ARG 24 1HB ARG 24 -3.837 -10.716 4.757 134 HB3 ARG 24 2HB ARG 24 -4.096 -11.291 3.116 135 HG2 ARG 24 1HG ARG 24 -2.460 -13.123 3.592 136 HG3 ARG 24 2HG ARG 24 -2.466 -12.598 5.277 137 HD2 ARG 24 1HD ARG 24 -4.752 -13.136 5.536 138 HD3 ARG 24 2HD ARG 24 -4.984 -13.307 3.797 139 HE ARG 24 HE ARG 24 -4.309 -15.473 3.986 140 HH11 ARG 24 1HH1 ARG 24 -3.103 -13.698 6.727 141 HH12 ARG 24 2HH1 ARG 24 -2.443 -15.097 7.508 142 HH21 ARG 24 1HH2 ARG 24 -3.445 -17.322 5.004 143 HH22 ARG 24 2HH2 ARG 24 -2.638 -17.158 6.526 144 H LYS 25 H LYS 25 -2.648 -9.496 1.145 145 HA LYS 25 HA LYS 25 -2.344 -6.797 1.379 146 HB2 LYS 25 1HB LYS 25 -2.771 -7.747 -0.768 147 HB3 LYS 25 2HB LYS 25 -4.339 -8.358 -0.259 148 HG2 LYS 25 1HG LYS 25 -4.664 -6.451 -1.668 149 HG3 LYS 25 2HG LYS 25 -5.122 -6.023 -0.018 150 HD2 LYS 25 1HD LYS 25 -3.864 -4.192 -0.549 151 HD3 LYS 25 2HD LYS 25 -2.596 -5.239 0.092 152 HE2 LYS 25 1HE LYS 25 -1.845 -4.256 -1.975 153 HE3 LYS 25 2HE LYS 25 -2.101 -5.983 -2.214 154 HZ1 LYS 25 3HZ LYS 25 -3.254 -5.304 -3.993 155 HZ2 LYS 25 1HZ LYS 25 -3.469 -3.732 -3.405 156 HZ3 LYS 25 2HZ LYS 25 -4.492 -4.976 -2.888 157 H ASP 26 H ASP 26 -5.362 -8.593 1.963 158 HA ASP 26 HA ASP 26 -7.101 -6.596 2.562 159 HB2 ASP 26 1HB ASP 26 -8.345 -8.143 3.856 160 HB3 ASP 26 2HB ASP 26 -7.501 -9.109 2.649 161 H GLN 27 H GLN 27 -4.754 -8.017 4.823 162 HA GLN 27 HA GLN 27 -5.430 -6.404 7.027 163 HB2 GLN 27 1HB GLN 27 -2.720 -7.601 6.447 164 HB3 GLN 27 2HB GLN 27 -3.370 -7.159 8.020 165 HG2 GLN 27 1HG GLN 27 -4.890 -8.947 8.015 166 HG3 GLN 27 2HG GLN 27 -4.664 -9.240 6.292 167 HE21 GLN 27 1HE2 GLN 27 -2.664 -9.021 9.220 168 HE22 GLN 27 2HE2 GLN 27 -1.724 -10.432 8.888 169 H LEU 28 H LEU 28 -3.423 -5.845 4.244 170 HA LEU 28 HA LEU 28 -2.051 -3.573 5.326 171 HB2 LEU 28 1HB LEU 28 -1.147 -4.994 3.509 172 HB3 LEU 28 2HB LEU 28 -2.414 -4.386 2.446 173 HG LEU 28 HG LEU 28 -1.326 -2.055 3.138 174 HD11 LEU 28 1HD1 LEU 28 0.371 -2.731 4.586 175 HD12 LEU 28 2HD1 LEU 28 1.202 -2.469 3.053 176 HD13 LEU 28 3HD1 LEU 28 0.814 -4.108 3.577 177 HD21 LEU 28 3HD2 LEU 28 -1.568 -2.633 0.871 178 HD22 LEU 28 1HD2 LEU 28 -0.459 -3.997 1.014 179 HD23 LEU 28 2HD2 LEU 28 0.159 -2.347 1.093 180 H VAL 29 H VAL 29 -4.835 -4.063 3.197 181 HA VAL 29 HA VAL 29 -5.304 -1.404 2.493 182 HB VAL 29 HB VAL 29 -7.338 -3.600 2.907 183 HG11 VAL 29 1HG1 VAL 29 -8.577 -2.189 1.145 184 HG12 VAL 29 2HG1 VAL 29 -8.594 -1.640 2.822 185 HG13 VAL 29 3HG1 VAL 29 -7.509 -0.882 1.656 186 HG21 VAL 29 3HG2 VAL 29 -6.974 -3.235 0.200 187 HG22 VAL 29 1HG2 VAL 29 -5.341 -3.095 0.852 188 HG23 VAL 29 2HG2 VAL 29 -6.296 -4.543 1.169 189 H SER 30 H SER 30 -6.796 -3.290 5.128 190 HA SER 30 HA SER 30 -8.346 -1.284 6.236 191 HB2 SER 30 1HB SER 30 -6.924 -3.556 7.644 192 HB3 SER 30 2HB SER 30 -8.212 -2.582 8.354 193 HG SER 30 HG SER 30 -9.474 -3.289 6.449 194 H HIS 31 H HIS 31 -4.917 -1.914 6.601 195 HA HIS 31 HA HIS 31 -4.534 -0.054 8.746 196 HB2 HIS 31 1HB HIS 31 -2.947 -1.815 8.596 197 HB3 HIS 31 2HB HIS 31 -2.641 -1.494 6.891 198 HD1 HIS 31 HD1 HIS 31 -2.286 0.459 10.148 199 HD2 HIS 31 HD2 HIS 31 -0.315 -0.180 6.547 200 HE1 HIS 31 HE1 HIS 31 -0.162 1.797 10.297 201 H GLN 32 H GLN 32 -3.318 0.000 5.389 202 HA GLN 32 HA GLN 32 -2.340 2.486 5.174 203 HB2 GLN 32 1HB GLN 32 -4.011 0.914 3.240 204 HB3 GLN 32 2HB GLN 32 -3.429 2.517 2.813 205 HG2 GLN 32 1HG GLN 32 -1.111 1.636 3.444 206 HG3 GLN 32 2HG GLN 32 -1.848 0.037 3.371 207 HE21 GLN 32 1HE2 GLN 32 -0.699 -0.666 1.620 208 HE22 GLN 32 2HE2 GLN 32 -0.904 -0.024 0.029 209 H LYS 33 H LYS 33 -5.791 1.689 5.065 210 HA LYS 33 HA LYS 33 -6.996 4.000 4.406 211 HB2 LYS 33 1HB LYS 33 -7.642 1.978 6.512 212 HB3 LYS 33 2HB LYS 33 -8.625 3.432 6.400 213 HG2 LYS 33 1HG LYS 33 -8.788 2.793 3.880 214 HG3 LYS 33 2HG LYS 33 -8.332 1.189 4.458 215 HD2 LYS 33 1HD LYS 33 -10.522 2.638 5.862 216 HD3 LYS 33 2HD LYS 33 -10.862 1.921 4.286 217 HE2 LYS 33 1HE LYS 33 -9.566 0.368 6.508 218 HE3 LYS 33 2HE LYS 33 -11.317 0.490 6.349 219 HZ1 LYS 33 3HZ LYS 33 -9.957 -1.449 5.234 220 HZ2 LYS 33 1HZ LYS 33 -9.794 -0.316 3.988 221 HZ3 LYS 33 2HZ LYS 33 -11.333 -0.797 4.497 222 H THR 34 H THR 34 -5.649 3.306 7.620 223 HA THR 34 HA THR 34 -6.351 5.569 8.990 224 HB THR 34 HB THR 34 -4.392 5.270 10.381 225 HG1 THR 34 HG1 THR 34 -3.442 3.840 8.133 226 HG21 THR 34 3HG2 THR 34 -5.404 3.482 11.238 227 HG22 THR 34 1HG2 THR 34 -4.628 2.462 10.027 228 HG23 THR 34 2HG2 THR 34 -6.202 3.184 9.694 229 H HIS 35 H HIS 35 -3.597 5.179 6.786 230 HA HIS 35 HA HIS 35 -2.798 7.938 7.102 231 HB2 HIS 35 1HB HIS 35 -1.809 5.966 5.039 232 HB3 HIS 35 2HB HIS 35 -0.998 7.423 5.608 233 HD1 HIS 35 HD1 HIS 35 -0.328 7.310 8.273 234 HD2 HIS 35 HD2 HIS 35 -1.020 3.712 6.315 235 HE1 HIS 35 HE1 HIS 35 0.746 5.547 9.708 236 H SER 36 H SER 36 -4.633 9.083 6.409 237 HA SER 36 HA SER 36 -4.906 9.198 3.491 238 HB2 SER 36 1HB SER 36 -6.789 7.867 4.703 239 HB3 SER 36 2HB SER 36 -7.347 9.456 5.225 240 HG SER 36 HG SER 36 -8.197 8.553 3.160 241 H GLY 37 H GLY 37 -5.625 11.226 2.674 242 HA2 GLY 37 1HA GLY 37 -5.760 13.519 2.627 243 HA3 GLY 37 2HA GLY 37 -6.251 13.443 4.313 244 H GLN 38 H GLN 38 -3.743 14.193 2.128 245 HA GLN 38 HA GLN 38 -1.404 13.956 3.477 246 HB2 GLN 38 1HB GLN 38 -1.480 14.952 1.282 247 HB3 GLN 38 2HB GLN 38 -2.376 16.336 1.892 248 HG2 GLN 38 1HG GLN 38 -0.196 17.111 1.638 249 HG3 GLN 38 2HG GLN 38 -0.353 16.792 3.365 250 HE21 GLN 38 1HE2 GLN 38 0.867 15.215 4.301 251 HE22 GLN 38 2HE2 GLN 38 2.116 14.355 3.473 252 H SER 39 H SER 39 -1.052 14.273 5.576 253 HA SER 39 HA SER 39 -2.463 15.903 7.301 254 HB2 SER 39 1HB SER 39 -0.452 15.741 8.798 255 HB3 SER 39 2HB SER 39 -1.007 14.190 8.168 256 HG SER 39 HG SER 39 0.922 15.571 6.702 257 H GLY 40 H GLY 40 -2.833 17.993 6.768 258 HA2 GLY 40 1HA GLY 40 -0.737 19.690 5.739 259 HA3 GLY 40 2HA GLY 40 -2.387 20.171 6.106 260 HA PRO 41 HA PRO 41 0.363 22.117 9.267 261 HB2 PRO 41 1HB PRO 41 -0.894 24.523 9.206 262 HB3 PRO 41 2HB PRO 41 0.404 24.089 8.088 263 HG2 PRO 41 1HG PRO 41 -2.559 24.046 7.660 264 HG3 PRO 41 2HG PRO 41 -1.280 24.614 6.571 265 HD2 PRO 41 1HD PRO 41 -2.458 22.192 6.295 266 HD3 PRO 41 2HD PRO 41 -0.760 22.482 5.865 267 H SER 42 H SER 42 -0.663 20.641 10.759 268 HA SER 42 HA SER 42 -3.285 20.985 11.736 269 HB2 SER 42 1HB SER 42 -0.853 19.683 12.978 270 HB3 SER 42 2HB SER 42 -2.469 19.607 13.679 271 HG SER 42 HG SER 42 -1.743 17.828 12.214 272 H SER 43 H SER 43 -4.097 22.557 12.936 273 HA SER 43 HA SER 43 -2.858 24.801 13.820 274 HB2 SER 43 1HB SER 43 -5.249 24.677 13.888 275 HB3 SER 43 2HB SER 43 -5.208 23.354 15.053 276 HG SER 43 HG SER 43 -4.336 26.018 15.510 277 H GLY 44 H GLY 44 -3.472 21.931 15.851 278 HA2 GLY 44 1HA GLY 44 -1.646 22.981 17.875 279 HA3 GLY 44 2HA GLY 44 -2.681 21.570 18.039 Start of MODEL 14 1 H1 GLY 1 H GLY 1 22.660 3.546 2.141 2 HA2 GLY 1 1HA GLY 1 22.615 0.652 2.674 3 HA3 GLY 1 2HA GLY 1 24.062 1.638 2.525 4 H SER 2 H SER 2 21.363 0.799 4.608 5 HA SER 2 HA SER 2 22.980 1.633 6.913 6 HB2 SER 2 1HB SER 2 20.077 2.290 6.407 7 HB3 SER 2 2HB SER 2 20.801 2.360 8.014 8 HG SER 2 HG SER 2 20.860 4.209 6.134 9 H SER 3 H SER 3 23.464 -0.242 7.857 10 HA SER 3 HA SER 3 21.584 -2.451 7.846 11 HB2 SER 3 1HB SER 3 24.457 -2.094 8.555 12 HB3 SER 3 2HB SER 3 23.584 -3.420 9.323 13 HG SER 3 HG SER 3 24.392 -3.118 6.712 14 H GLY 4 H GLY 4 20.275 -3.011 9.471 15 HA2 GLY 4 1HA GLY 4 20.670 -2.921 12.163 16 HA3 GLY 4 2HA GLY 4 20.096 -1.304 11.783 17 H SER 5 H SER 5 18.245 -1.863 9.796 18 HA SER 5 HA SER 5 16.243 -3.429 11.289 19 HB2 SER 5 1HB SER 5 15.870 -0.985 9.543 20 HB3 SER 5 2HB SER 5 14.544 -1.943 10.202 21 HG SER 5 HG SER 5 16.539 -0.599 11.712 22 H SER 6 H SER 6 17.113 -2.356 8.006 23 HA SER 6 HA SER 6 15.511 -4.382 6.758 24 HB2 SER 6 1HB SER 6 16.412 -3.542 4.666 25 HB3 SER 6 2HB SER 6 15.989 -2.176 5.698 26 HG SER 6 HG SER 6 17.985 -1.574 5.569 27 H GLY 7 H GLY 7 16.504 -5.904 5.136 28 HA2 GLY 7 1HA GLY 7 19.209 -6.765 5.565 29 HA3 GLY 7 2HA GLY 7 18.037 -7.832 6.324 30 H THR 8 H THR 8 17.728 -9.579 5.129 31 HA THR 8 HA THR 8 17.729 -9.297 2.197 32 HB THR 8 HB THR 8 19.480 -10.789 2.917 33 HG1 THR 8 HG1 THR 8 18.678 -12.752 1.877 34 HG21 THR 8 3HG2 THR 8 17.912 -12.944 4.010 35 HG22 THR 8 1HG2 THR 8 17.693 -11.477 4.964 36 HG23 THR 8 2HG2 THR 8 19.313 -12.122 4.697 37 H GLY 9 H GLY 9 15.781 -9.349 1.298 38 HA2 GLY 9 1HA GLY 9 13.898 -10.960 0.880 39 HA3 GLY 9 2HA GLY 9 13.677 -10.945 2.623 40 H GLU 10 H GLU 10 11.484 -10.379 1.346 41 HA GLU 10 HA GLU 10 10.817 -7.766 2.154 42 HB2 GLU 10 1HB GLU 10 10.328 -6.759 -0.040 43 HB3 GLU 10 2HB GLU 10 12.045 -7.066 0.177 44 HG2 GLU 10 1HG GLU 10 11.876 -9.069 -1.192 45 HG3 GLU 10 2HG GLU 10 10.145 -8.797 -1.390 46 H ASN 11 H ASN 11 8.681 -7.675 2.514 47 HA ASN 11 HA ASN 11 7.070 -9.965 1.858 48 HB2 ASN 11 1HB ASN 11 6.633 -7.455 3.449 49 HB3 ASN 11 2HB ASN 11 5.269 -8.487 3.027 50 HD21 ASN 11 1HD2 ASN 11 8.602 -9.002 4.141 51 HD22 ASN 11 2HD2 ASN 11 8.184 -10.074 5.429 52 HA PRO 12 HA PRO 12 5.080 -8.505 -1.774 53 HB2 PRO 12 1HB PRO 12 2.624 -9.630 -1.503 54 HB3 PRO 12 2HB PRO 12 4.070 -10.565 -1.899 55 HG2 PRO 12 1HG PRO 12 2.712 -10.206 0.744 56 HG3 PRO 12 2HG PRO 12 3.379 -11.681 0.021 57 HD2 PRO 12 1HD PRO 12 4.698 -10.260 1.910 58 HD3 PRO 12 2HD PRO 12 5.539 -11.151 0.626 59 H TYR 13 H TYR 13 3.959 -7.646 1.340 60 HA TYR 13 HA TYR 13 2.553 -5.343 0.204 61 HB2 TYR 13 1HB TYR 13 1.406 -6.983 2.469 62 HB3 TYR 13 2HB TYR 13 0.667 -5.588 1.690 63 HD1 TYR 13 HD2 TYR 13 0.070 -5.807 -0.797 64 HD2 TYR 13 HD1 TYR 13 0.973 -9.142 1.685 65 HE1 TYR 13 HE2 TYR 13 -1.066 -7.294 -2.392 66 HE2 TYR 13 HE1 TYR 13 -0.160 -10.639 0.097 67 HH TYR 13 HH TYR 13 -1.355 -10.779 -1.770 68 H GLU 14 H GLU 14 3.613 -3.635 0.948 69 HA GLU 14 HA GLU 14 4.215 -3.486 3.811 70 HB2 GLU 14 1HB GLU 14 6.317 -4.144 2.890 71 HB3 GLU 14 2HB GLU 14 6.172 -2.992 1.570 72 HG2 GLU 14 1HG GLU 14 6.276 -1.161 3.264 73 HG3 GLU 14 2HG GLU 14 6.639 -2.387 4.477 74 H CYS 15 H CYS 15 2.970 -1.848 4.448 75 HA CYS 15 HA CYS 15 1.817 0.150 3.027 76 HB2 CYS 15 1HB CYS 15 1.299 -0.175 5.363 77 HB3 CYS 15 2HB CYS 15 2.926 0.303 5.836 78 H CYS 16 H CYS 16 2.533 1.733 1.777 79 HA CYS 16 HA CYS 16 5.313 2.606 2.030 80 HB2 CYS 16 1HB CYS 16 3.278 3.063 -0.161 81 HB3 CYS 16 2HB CYS 16 4.937 3.654 -0.193 82 H GLU 17 H GLU 17 3.652 3.507 4.058 83 HA GLU 17 HA GLU 17 3.547 6.385 3.459 84 HB2 GLU 17 1HB GLU 17 1.541 4.810 5.083 85 HB3 GLU 17 2HB GLU 17 1.574 6.563 4.958 86 HG2 GLU 17 1HG GLU 17 1.394 4.898 2.489 87 HG3 GLU 17 2HG GLU 17 -0.041 5.188 3.471 88 H CYS 18 H CYS 18 3.676 3.928 6.020 89 HA CYS 18 HA CYS 18 5.255 5.820 7.638 90 HB2 CYS 18 1HB CYS 18 4.443 4.657 9.628 91 HB3 CYS 18 2HB CYS 18 3.092 5.253 8.669 92 H GLY 19 H GLY 19 4.834 2.398 6.789 93 HA2 GLY 19 1HA GLY 19 7.011 1.355 6.052 94 HA3 GLY 19 2HA GLY 19 7.647 1.955 7.577 95 H LYS 20 H LYS 20 4.577 0.340 6.797 96 HA LYS 20 HA LYS 20 5.230 -1.666 8.849 97 HB2 LYS 20 1HB LYS 20 2.601 -0.578 7.858 98 HB3 LYS 20 2HB LYS 20 2.699 -2.067 8.789 99 HG2 LYS 20 1HG LYS 20 4.018 0.359 9.883 100 HG3 LYS 20 2HG LYS 20 2.257 0.262 9.937 101 HD2 LYS 20 1HD LYS 20 2.324 -1.737 11.224 102 HD3 LYS 20 2HD LYS 20 4.059 -1.925 10.959 103 HE2 LYS 20 1HE LYS 20 4.076 -1.037 13.065 104 HE3 LYS 20 2HE LYS 20 4.142 0.445 12.112 105 HZ1 LYS 20 3HZ LYS 20 2.463 0.921 13.566 106 HZ2 LYS 20 1HZ LYS 20 1.909 -0.675 13.651 107 HZ3 LYS 20 2HZ LYS 20 1.564 0.269 12.290 108 H VAL 21 H VAL 21 4.138 -3.834 8.453 109 HA VAL 21 HA VAL 21 4.065 -4.528 5.602 110 HB VAL 21 HB VAL 21 5.598 -6.129 7.654 111 HG11 VAL 21 1HG1 VAL 21 4.988 -6.504 4.748 112 HG12 VAL 21 2HG1 VAL 21 6.452 -7.192 5.453 113 HG13 VAL 21 3HG1 VAL 21 4.869 -7.661 6.073 114 HG21 VAL 21 3HG2 VAL 21 6.418 -3.985 5.782 115 HG22 VAL 21 1HG2 VAL 21 7.088 -4.444 7.348 116 HG23 VAL 21 2HG2 VAL 21 7.480 -5.388 5.910 117 H PHE 22 H PHE 22 2.982 -6.539 5.142 118 HA PHE 22 HA PHE 22 1.450 -7.748 7.301 119 HB2 PHE 22 1HB PHE 22 0.144 -6.425 4.915 120 HB3 PHE 22 2HB PHE 22 -0.689 -7.477 6.055 121 HD1 PHE 22 HD2 PHE 22 1.047 -4.245 5.685 122 HD2 PHE 22 HD1 PHE 22 -1.435 -6.674 8.146 123 HE1 PHE 22 HE2 PHE 22 0.586 -2.306 7.128 124 HE2 PHE 22 HE1 PHE 22 -1.901 -4.739 9.592 125 HZ PHE 22 HZ PHE 22 -0.889 -2.551 9.085 126 H SER 23 H SER 23 -0.032 -9.529 6.285 127 HA SER 23 HA SER 23 1.703 -11.099 4.532 128 HB2 SER 23 1HB SER 23 0.351 -13.023 5.242 129 HB3 SER 23 2HB SER 23 0.960 -12.135 6.639 130 HG SER 23 HG SER 23 -1.564 -12.694 6.008 131 H ARG 24 H ARG 24 -1.690 -10.085 4.801 132 HA ARG 24 HA ARG 24 -1.988 -10.634 1.920 133 HB2 ARG 24 1HB ARG 24 -4.145 -10.724 4.037 134 HB3 ARG 24 2HB ARG 24 -4.359 -11.060 2.324 135 HG2 ARG 24 1HG ARG 24 -3.195 -13.076 2.450 136 HG3 ARG 24 2HG ARG 24 -2.446 -12.650 3.990 137 HD2 ARG 24 1HD ARG 24 -4.863 -12.617 4.895 138 HD3 ARG 24 2HD ARG 24 -5.258 -13.522 3.434 139 HE ARG 24 HE ARG 24 -3.972 -14.524 5.761 140 HH11 ARG 24 1HH1 ARG 24 -4.058 -14.821 2.293 141 HH12 ARG 24 2HH1 ARG 24 -3.506 -16.463 2.289 142 HH21 ARG 24 1HH2 ARG 24 -3.244 -16.686 5.769 143 HH22 ARG 24 2HH2 ARG 24 -3.044 -17.524 4.267 144 H LYS 25 H LYS 25 -2.624 -8.998 0.647 145 HA LYS 25 HA LYS 25 -2.380 -6.387 1.165 146 HB2 LYS 25 1HB LYS 25 -2.886 -7.213 -1.064 147 HB3 LYS 25 2HB LYS 25 -4.524 -7.624 -0.571 148 HG2 LYS 25 1HG LYS 25 -5.101 -5.321 -0.316 149 HG3 LYS 25 2HG LYS 25 -3.425 -4.823 -0.562 150 HD2 LYS 25 1HD LYS 25 -3.532 -5.770 -2.853 151 HD3 LYS 25 2HD LYS 25 -5.242 -6.125 -2.591 152 HE2 LYS 25 1HE LYS 25 -4.158 -3.354 -2.221 153 HE3 LYS 25 2HE LYS 25 -4.602 -3.950 -3.820 154 HZ1 LYS 25 3HZ LYS 25 -6.797 -3.955 -3.312 155 HZ2 LYS 25 1HZ LYS 25 -6.316 -2.717 -2.264 156 HZ3 LYS 25 2HZ LYS 25 -6.551 -4.283 -1.670 157 H ASP 26 H ASP 26 -5.423 -8.174 1.623 158 HA ASP 26 HA ASP 26 -7.159 -6.274 2.410 159 HB2 ASP 26 1HB ASP 26 -7.309 -8.900 2.485 160 HB3 ASP 26 2HB ASP 26 -6.919 -8.671 4.188 161 H GLN 27 H GLN 27 -4.980 -7.889 4.732 162 HA GLN 27 HA GLN 27 -5.530 -6.281 6.923 163 HB2 GLN 27 1HB GLN 27 -2.867 -7.543 6.249 164 HB3 GLN 27 2HB GLN 27 -3.410 -7.045 7.846 165 HG2 GLN 27 1HG GLN 27 -4.369 -9.335 6.171 166 HG3 GLN 27 2HG GLN 27 -3.697 -9.360 7.801 167 HE21 GLN 27 1HE2 GLN 27 -6.309 -10.241 6.510 168 HE22 GLN 27 2HE2 GLN 27 -7.522 -9.602 7.561 169 H LEU 28 H LEU 28 -3.345 -5.739 4.230 170 HA LEU 28 HA LEU 28 -2.009 -3.494 5.347 171 HB2 LEU 28 1HB LEU 28 -1.099 -4.835 3.501 172 HB3 LEU 28 2HB LEU 28 -2.394 -4.256 2.455 173 HG LEU 28 HG LEU 28 -1.356 -1.901 3.137 174 HD11 LEU 28 1HD1 LEU 28 0.880 -3.881 3.473 175 HD12 LEU 28 2HD1 LEU 28 0.358 -2.620 4.589 176 HD13 LEU 28 3HD1 LEU 28 1.155 -2.184 3.078 177 HD21 LEU 28 3HD2 LEU 28 -1.639 -2.590 0.869 178 HD22 LEU 28 1HD2 LEU 28 -0.354 -3.790 1.014 179 HD23 LEU 28 2HD2 LEU 28 0.035 -2.070 1.067 180 H VAL 29 H VAL 29 -4.825 -3.867 3.243 181 HA VAL 29 HA VAL 29 -5.231 -1.144 2.673 182 HB VAL 29 HB VAL 29 -7.267 -3.370 2.837 183 HG11 VAL 29 1HG1 VAL 29 -8.628 -1.531 2.833 184 HG12 VAL 29 2HG1 VAL 29 -7.449 -0.522 1.993 185 HG13 VAL 29 3HG1 VAL 29 -8.375 -1.728 1.099 186 HG21 VAL 29 3HG2 VAL 29 -6.949 -2.973 0.225 187 HG22 VAL 29 1HG2 VAL 29 -5.344 -2.480 0.764 188 HG23 VAL 29 2HG2 VAL 29 -5.941 -4.097 1.136 189 H SER 30 H SER 30 -6.470 -3.206 5.274 190 HA SER 30 HA SER 30 -8.160 -1.265 6.437 191 HB2 SER 30 1HB SER 30 -6.940 -3.834 7.398 192 HB3 SER 30 2HB SER 30 -7.794 -2.787 8.533 193 HG SER 30 HG SER 30 -9.456 -2.879 6.657 194 H HIS 31 H HIS 31 -4.762 -1.679 6.469 195 HA HIS 31 HA HIS 31 -4.382 -0.108 8.889 196 HB2 HIS 31 1HB HIS 31 -2.780 -1.800 8.761 197 HB3 HIS 31 2HB HIS 31 -2.552 -1.589 7.027 198 HD1 HIS 31 HD1 HIS 31 -1.609 -0.031 10.324 199 HD2 HIS 31 HD2 HIS 31 -0.584 0.204 6.305 200 HE1 HIS 31 HE1 HIS 31 0.461 1.394 10.241 201 H GLN 32 H GLN 32 -3.368 0.122 5.476 202 HA GLN 32 HA GLN 32 -2.257 2.616 5.465 203 HB2 GLN 32 1HB GLN 32 -3.895 1.178 3.396 204 HB3 GLN 32 2HB GLN 32 -3.242 2.779 3.079 205 HG2 GLN 32 1HG GLN 32 -0.981 1.782 3.745 206 HG3 GLN 32 2HG GLN 32 -1.770 0.217 3.554 207 HE21 GLN 32 1HE2 GLN 32 -1.505 -0.673 1.648 208 HE22 GLN 32 2HE2 GLN 32 -1.268 0.159 0.153 209 H LYS 33 H LYS 33 -5.569 1.804 5.937 210 HA LYS 33 HA LYS 33 -6.857 4.140 5.134 211 HB2 LYS 33 1HB LYS 33 -7.439 2.050 7.196 212 HB3 LYS 33 2HB LYS 33 -8.439 3.495 7.130 213 HG2 LYS 33 1HG LYS 33 -8.692 2.933 4.626 214 HG3 LYS 33 2HG LYS 33 -8.118 1.330 5.092 215 HD2 LYS 33 1HD LYS 33 -10.366 2.626 6.585 216 HD3 LYS 33 2HD LYS 33 -10.670 1.809 5.050 217 HE2 LYS 33 1HE LYS 33 -9.853 -0.261 5.905 218 HE3 LYS 33 2HE LYS 33 -9.243 0.516 7.366 219 HZ1 LYS 33 3HZ LYS 33 -11.205 -0.398 8.089 220 HZ2 LYS 33 1HZ LYS 33 -12.015 -0.129 6.628 221 HZ3 LYS 33 2HZ LYS 33 -11.717 1.162 7.680 222 H THR 34 H THR 34 -5.429 3.328 8.285 223 HA THR 34 HA THR 34 -6.082 5.452 9.823 224 HB THR 34 HB THR 34 -4.617 3.665 10.623 225 HG1 THR 34 HG1 THR 34 -3.672 4.971 12.046 226 HG21 THR 34 3HG2 THR 34 -2.111 4.799 9.686 227 HG22 THR 34 1HG2 THR 34 -3.114 4.209 8.361 228 HG23 THR 34 2HG2 THR 34 -2.663 3.125 9.677 229 H HIS 35 H HIS 35 -3.920 5.480 7.080 230 HA HIS 35 HA HIS 35 -3.079 8.216 7.610 231 HB2 HIS 35 1HB HIS 35 -2.419 6.544 5.186 232 HB3 HIS 35 2HB HIS 35 -1.556 7.955 5.790 233 HD1 HIS 35 HD1 HIS 35 -0.681 7.454 8.456 234 HD2 HIS 35 HD2 HIS 35 -1.102 4.281 5.807 235 HE1 HIS 35 HE1 HIS 35 0.739 5.602 9.394 236 H SER 36 H SER 36 -5.832 7.944 7.225 237 HA SER 36 HA SER 36 -6.236 9.808 5.088 238 HB2 SER 36 1HB SER 36 -7.032 6.945 4.763 239 HB3 SER 36 2HB SER 36 -8.100 8.194 4.123 240 HG SER 36 HG SER 36 -6.746 8.490 2.553 241 H GLY 37 H GLY 37 -7.524 11.235 6.037 242 HA2 GLY 37 1HA GLY 37 -10.094 10.477 7.049 243 HA3 GLY 37 2HA GLY 37 -8.989 10.929 8.338 244 H GLN 38 H GLN 38 -9.095 12.977 8.944 245 HA GLN 38 HA GLN 38 -9.742 15.015 6.926 246 HB2 GLN 38 1HB GLN 38 -11.679 14.325 8.501 247 HB3 GLN 38 2HB GLN 38 -10.789 15.206 9.735 248 HG2 GLN 38 1HG GLN 38 -12.170 16.851 8.997 249 HG3 GLN 38 2HG GLN 38 -10.798 17.105 7.920 250 HE21 GLN 38 1HE2 GLN 38 -11.303 17.362 5.876 251 HE22 GLN 38 2HE2 GLN 38 -12.696 16.724 5.078 252 H SER 39 H SER 39 -8.113 16.394 6.789 253 HA SER 39 HA SER 39 -6.750 17.222 9.259 254 HB2 SER 39 1HB SER 39 -5.245 15.659 8.209 255 HB3 SER 39 2HB SER 39 -5.445 16.444 6.643 256 HG SER 39 HG SER 39 -4.475 18.321 7.592 257 H GLY 40 H GLY 40 -7.090 19.322 9.523 258 HA2 GLY 40 1HA GLY 40 -6.249 21.329 7.836 259 HA3 GLY 40 2HA GLY 40 -7.922 21.030 7.390 260 HA PRO 41 HA PRO 41 -9.118 23.865 10.526 261 HB2 PRO 41 1HB PRO 41 -11.684 23.057 10.890 262 HB3 PRO 41 2HB PRO 41 -11.153 23.954 9.463 263 HG2 PRO 41 1HG PRO 41 -11.602 21.013 9.793 264 HG3 PRO 41 2HG PRO 41 -12.058 22.069 8.444 265 HD2 PRO 41 1HD PRO 41 -9.878 20.465 8.366 266 HD3 PRO 41 2HD PRO 41 -9.940 22.033 7.536 267 H SER 42 H SER 42 -9.916 20.442 11.029 268 HA SER 42 HA SER 42 -10.399 20.606 13.796 269 HB2 SER 42 1HB SER 42 -10.220 18.197 13.812 270 HB3 SER 42 2HB SER 42 -11.034 18.680 12.324 271 HG SER 42 HG SER 42 -9.536 17.559 11.377 272 H SER 43 H SER 43 -7.465 19.718 11.993 273 HA SER 43 HA SER 43 -5.923 19.795 14.477 274 HB2 SER 43 1HB SER 43 -5.637 17.876 12.907 275 HB3 SER 43 2HB SER 43 -5.011 19.000 11.702 276 HG SER 43 HG SER 43 -3.674 17.796 13.623 277 H GLY 44 H GLY 44 -5.407 20.959 11.138 278 HA2 GLY 44 1HA GLY 44 -5.238 23.533 11.131 279 HA3 GLY 44 2HA GLY 44 -3.928 23.241 12.265 Start of MODEL 15 1 H1 GLY 1 H GLY 1 28.974 1.886 3.379 2 HA2 GLY 1 1HA GLY 1 29.274 3.089 5.903 3 HA3 GLY 1 2HA GLY 1 27.648 3.414 5.323 4 H SER 2 H SER 2 27.015 2.176 7.237 5 HA SER 2 HA SER 2 27.567 -0.655 7.267 6 HB2 SER 2 1HB SER 2 26.180 -0.715 9.260 7 HB3 SER 2 2HB SER 2 27.271 0.667 9.359 8 HG SER 2 HG SER 2 24.512 0.660 8.723 9 H SER 3 H SER 3 26.680 -1.769 5.626 10 HA SER 3 HA SER 3 24.391 -1.228 4.203 11 HB2 SER 3 1HB SER 3 25.697 -3.868 4.866 12 HB3 SER 3 2HB SER 3 24.329 -3.740 3.761 13 HG SER 3 HG SER 3 26.901 -2.584 3.493 14 H GLY 4 H GLY 4 24.690 -3.217 7.134 15 HA2 GLY 4 1HA GLY 4 23.046 -4.179 8.455 16 HA3 GLY 4 2HA GLY 4 22.441 -2.529 8.446 17 H SER 5 H SER 5 22.116 -5.719 7.067 18 HA SER 5 HA SER 5 20.109 -5.139 5.175 19 HB2 SER 5 1HB SER 5 21.519 -7.287 5.453 20 HB3 SER 5 2HB SER 5 20.300 -7.768 6.633 21 HG SER 5 HG SER 5 18.733 -7.585 5.004 22 H SER 6 H SER 6 18.311 -4.085 5.749 23 HA SER 6 HA SER 6 16.988 -4.710 8.271 24 HB2 SER 6 1HB SER 6 16.845 -2.479 6.298 25 HB3 SER 6 2HB SER 6 15.411 -2.811 7.268 26 HG SER 6 HG SER 6 17.122 -1.292 8.106 27 H GLY 7 H GLY 7 15.973 -4.324 4.867 28 HA2 GLY 7 1HA GLY 7 13.536 -5.784 5.326 29 HA3 GLY 7 2HA GLY 7 14.117 -5.180 3.782 30 H THR 8 H THR 8 13.183 -7.893 5.142 31 HA THR 8 HA THR 8 14.809 -9.527 3.383 32 HB THR 8 HB THR 8 16.121 -9.550 5.461 33 HG1 THR 8 HG1 THR 8 15.863 -11.955 5.789 34 HG21 THR 8 3HG2 THR 8 13.662 -10.765 6.725 35 HG22 THR 8 1HG2 THR 8 14.256 -9.132 7.024 36 HG23 THR 8 2HG2 THR 8 15.228 -10.525 7.499 37 H GLY 9 H GLY 9 13.637 -11.129 2.503 38 HA2 GLY 9 1HA GLY 9 12.049 -12.925 2.664 39 HA3 GLY 9 2HA GLY 9 11.197 -12.008 3.898 40 H GLU 10 H GLU 10 9.859 -13.133 1.755 41 HA GLU 10 HA GLU 10 9.464 -11.156 -0.301 42 HB2 GLU 10 1HB GLU 10 9.199 -13.451 -0.932 43 HB3 GLU 10 2HB GLU 10 8.045 -13.735 0.364 44 HG2 GLU 10 1HG GLU 10 6.401 -12.371 -0.718 45 HG3 GLU 10 2HG GLU 10 7.561 -11.873 -1.948 46 H ASN 11 H ASN 11 8.713 -9.280 0.611 47 HA ASN 11 HA ASN 11 6.070 -9.443 1.904 48 HB2 ASN 11 1HB ASN 11 6.754 -7.232 3.000 49 HB3 ASN 11 2HB ASN 11 7.530 -8.694 3.602 50 HD21 ASN 11 1HD2 ASN 11 9.486 -8.075 4.212 51 HD22 ASN 11 2HD2 ASN 11 10.614 -7.203 3.236 52 HA PRO 12 HA PRO 12 5.573 -7.086 -2.029 53 HB2 PRO 12 1HB PRO 12 3.129 -8.125 -2.592 54 HB3 PRO 12 2HB PRO 12 4.639 -8.926 -3.040 55 HG2 PRO 12 1HG PRO 12 2.834 -9.453 -0.711 56 HG3 PRO 12 2HG PRO 12 3.645 -10.610 -1.783 57 HD2 PRO 12 1HD PRO 12 4.588 -9.998 0.681 58 HD3 PRO 12 2HD PRO 12 5.656 -10.421 -0.673 59 H TYR 13 H TYR 13 4.101 -7.179 0.998 60 HA TYR 13 HA TYR 13 2.436 -4.839 0.334 61 HB2 TYR 13 1HB TYR 13 1.896 -6.663 2.667 62 HB3 TYR 13 2HB TYR 13 0.813 -5.497 1.915 63 HD1 TYR 13 HD2 TYR 13 0.688 -6.063 -0.825 64 HD2 TYR 13 HD1 TYR 13 1.197 -8.833 2.365 65 HE1 TYR 13 HE2 TYR 13 -0.263 -7.846 -2.228 66 HE2 TYR 13 HE1 TYR 13 0.249 -10.623 0.970 67 HH TYR 13 HH TYR 13 -1.328 -9.992 -2.008 68 H GLU 14 H GLU 14 3.979 -3.300 0.815 69 HA GLU 14 HA GLU 14 4.755 -3.143 3.653 70 HB2 GLU 14 1HB GLU 14 6.660 -3.684 2.102 71 HB3 GLU 14 2HB GLU 14 6.401 -2.123 1.335 72 HG2 GLU 14 1HG GLU 14 7.105 -0.943 3.210 73 HG3 GLU 14 2HG GLU 14 6.883 -2.327 4.280 74 H CYS 15 H CYS 15 3.420 -1.646 4.467 75 HA CYS 15 HA CYS 15 2.234 0.466 3.087 76 HB2 CYS 15 1HB CYS 15 1.495 -0.402 5.303 77 HB3 CYS 15 2HB CYS 15 2.891 0.379 6.038 78 H CYS 16 H CYS 16 3.302 2.007 2.032 79 HA CYS 16 HA CYS 16 5.915 2.885 2.741 80 HB2 CYS 16 1HB CYS 16 4.909 2.893 0.416 81 HB3 CYS 16 2HB CYS 16 3.975 4.301 0.910 82 H GLU 17 H GLU 17 2.668 4.149 3.253 83 HA GLU 17 HA GLU 17 3.050 6.710 4.029 84 HB2 GLU 17 1HB GLU 17 1.298 4.578 5.226 85 HB3 GLU 17 2HB GLU 17 1.278 6.225 5.842 86 HG2 GLU 17 1HG GLU 17 -0.512 5.913 4.265 87 HG3 GLU 17 2HG GLU 17 0.674 7.042 3.611 88 H CYS 18 H CYS 18 3.226 4.000 6.347 89 HA CYS 18 HA CYS 18 4.874 5.687 8.092 90 HB2 CYS 18 1HB CYS 18 4.377 3.965 9.827 91 HB3 CYS 18 2HB CYS 18 2.938 4.754 9.190 92 H GLY 19 H GLY 19 4.811 2.520 6.515 93 HA2 GLY 19 1HA GLY 19 6.904 1.728 5.536 94 HA3 GLY 19 2HA GLY 19 7.727 2.363 6.953 95 H LYS 20 H LYS 20 4.728 0.510 6.949 96 HA LYS 20 HA LYS 20 6.076 -1.523 8.582 97 HB2 LYS 20 1HB LYS 20 3.275 -0.512 8.407 98 HB3 LYS 20 2HB LYS 20 3.523 -2.181 8.902 99 HG2 LYS 20 1HG LYS 20 4.694 -1.558 10.827 100 HG3 LYS 20 2HG LYS 20 4.969 0.082 10.235 101 HD2 LYS 20 1HD LYS 20 2.494 0.444 10.348 102 HD3 LYS 20 2HD LYS 20 2.358 -1.127 11.140 103 HE2 LYS 20 1HE LYS 20 4.078 1.124 12.165 104 HE3 LYS 20 2HE LYS 20 2.418 0.846 12.689 105 HZ1 LYS 20 3HZ LYS 20 4.753 -0.365 13.635 106 HZ2 LYS 20 1HZ LYS 20 3.826 -1.566 12.887 107 HZ3 LYS 20 2HZ LYS 20 3.159 -0.637 14.133 108 H VAL 21 H VAL 21 4.705 -3.731 8.341 109 HA VAL 21 HA VAL 21 4.410 -4.327 5.480 110 HB VAL 21 HB VAL 21 5.929 -6.104 7.391 111 HG11 VAL 21 1HG1 VAL 21 6.639 -7.005 5.014 112 HG12 VAL 21 2HG1 VAL 21 5.157 -7.554 5.799 113 HG13 VAL 21 3HG1 VAL 21 5.085 -6.315 4.546 114 HG21 VAL 21 3HG2 VAL 21 7.843 -5.424 5.744 115 HG22 VAL 21 1HG2 VAL 21 6.843 -3.993 5.489 116 HG23 VAL 21 2HG2 VAL 21 7.432 -4.380 7.105 117 H PHE 22 H PHE 22 3.212 -6.294 5.040 118 HA PHE 22 HA PHE 22 1.640 -7.345 7.270 119 HB2 PHE 22 1HB PHE 22 0.435 -6.178 4.753 120 HB3 PHE 22 2HB PHE 22 -0.458 -7.088 5.967 121 HD1 PHE 22 HD2 PHE 22 1.767 -4.111 5.680 122 HD2 PHE 22 HD1 PHE 22 -1.553 -5.932 7.623 123 HE1 PHE 22 HE2 PHE 22 1.366 -2.033 6.934 124 HE2 PHE 22 HE1 PHE 22 -1.961 -3.856 8.880 125 HZ PHE 22 HZ PHE 22 -0.499 -1.904 8.537 126 H SER 23 H SER 23 0.634 -9.373 6.839 127 HA SER 23 HA SER 23 2.170 -11.011 5.043 128 HB2 SER 23 1HB SER 23 0.020 -11.530 7.072 129 HB3 SER 23 2HB SER 23 0.474 -12.792 5.927 130 HG SER 23 HG SER 23 1.715 -12.976 7.799 131 H ARG 24 H ARG 24 -1.168 -9.866 5.234 132 HA ARG 24 HA ARG 24 -1.543 -10.752 2.450 133 HB2 ARG 24 1HB ARG 24 -3.597 -10.757 4.669 134 HB3 ARG 24 2HB ARG 24 -3.937 -11.114 2.981 135 HG2 ARG 24 1HG ARG 24 -2.467 -13.054 3.083 136 HG3 ARG 24 2HG ARG 24 -2.095 -12.688 4.769 137 HD2 ARG 24 1HD ARG 24 -4.313 -13.146 5.455 138 HD3 ARG 24 2HD ARG 24 -4.899 -13.160 3.792 139 HE ARG 24 HE ARG 24 -3.015 -15.167 3.954 140 HH11 ARG 24 1HH1 ARG 24 -6.046 -14.394 5.482 141 HH12 ARG 24 2HH1 ARG 24 -6.478 -16.048 5.760 142 HH21 ARG 24 1HH2 ARG 24 -3.572 -17.350 4.314 143 HH22 ARG 24 2HH2 ARG 24 -5.070 -17.729 5.096 144 H LYS 25 H LYS 25 -2.012 -9.169 1.078 145 HA LYS 25 HA LYS 25 -1.917 -6.532 1.451 146 HB2 LYS 25 1HB LYS 25 -2.257 -7.583 -0.747 147 HB3 LYS 25 2HB LYS 25 -3.941 -7.889 -0.342 148 HG2 LYS 25 1HG LYS 25 -4.546 -5.698 -0.592 149 HG3 LYS 25 2HG LYS 25 -2.931 -5.094 -0.215 150 HD2 LYS 25 1HD LYS 25 -2.987 -4.716 -2.474 151 HD3 LYS 25 2HD LYS 25 -2.310 -6.346 -2.450 152 HE2 LYS 25 1HE LYS 25 -5.267 -6.046 -2.544 153 HE3 LYS 25 2HE LYS 25 -4.348 -5.704 -4.009 154 HZ1 LYS 25 3HZ LYS 25 -4.293 -8.239 -2.464 155 HZ2 LYS 25 1HZ LYS 25 -3.352 -7.914 -3.832 156 HZ3 LYS 25 2HZ LYS 25 -5.036 -8.001 -3.965 157 H ASP 26 H ASP 26 -4.892 -8.432 1.858 158 HA ASP 26 HA ASP 26 -6.746 -6.531 2.398 159 HB2 ASP 26 1HB ASP 26 -6.285 -9.196 3.723 160 HB3 ASP 26 2HB ASP 26 -7.669 -8.187 4.134 161 H GLN 27 H GLN 27 -4.613 -7.948 4.883 162 HA GLN 27 HA GLN 27 -5.382 -6.350 7.009 163 HB2 GLN 27 1HB GLN 27 -2.572 -7.336 6.507 164 HB3 GLN 27 2HB GLN 27 -3.299 -6.953 8.062 165 HG2 GLN 27 1HG GLN 27 -4.885 -8.808 7.747 166 HG3 GLN 27 2HG GLN 27 -4.076 -9.213 6.234 167 HE21 GLN 27 1HE2 GLN 27 -3.211 -11.141 6.703 168 HE22 GLN 27 2HE2 GLN 27 -2.086 -11.434 7.981 169 H LEU 28 H LEU 28 -3.262 -5.630 4.333 170 HA LEU 28 HA LEU 28 -2.125 -3.270 5.472 171 HB2 LEU 28 1HB LEU 28 -1.079 -4.611 3.658 172 HB3 LEU 28 2HB LEU 28 -2.341 -4.042 2.566 173 HG LEU 28 HG LEU 28 -1.417 -1.676 3.332 174 HD11 LEU 28 1HD1 LEU 28 0.251 -2.191 4.842 175 HD12 LEU 28 2HD1 LEU 28 1.157 -1.998 3.342 176 HD13 LEU 28 3HD1 LEU 28 0.776 -3.612 3.940 177 HD21 LEU 28 3HD2 LEU 28 -1.093 -1.689 1.137 178 HD22 LEU 28 1HD2 LEU 28 -0.986 -3.450 1.120 179 HD23 LEU 28 2HD2 LEU 28 0.460 -2.481 1.408 180 H VAL 29 H VAL 29 -4.619 -3.828 2.990 181 HA VAL 29 HA VAL 29 -5.302 -1.232 2.403 182 HB VAL 29 HB VAL 29 -7.193 -3.573 2.670 183 HG11 VAL 29 1HG1 VAL 29 -7.597 -1.183 0.905 184 HG12 VAL 29 2HG1 VAL 29 -8.775 -2.386 1.434 185 HG13 VAL 29 3HG1 VAL 29 -8.158 -1.192 2.576 186 HG21 VAL 29 3HG2 VAL 29 -5.437 -2.594 0.441 187 HG22 VAL 29 1HG2 VAL 29 -5.564 -4.217 1.120 188 HG23 VAL 29 2HG2 VAL 29 -6.870 -3.573 0.126 189 H SER 30 H SER 30 -6.659 -3.255 4.999 190 HA SER 30 HA SER 30 -8.443 -1.377 6.036 191 HB2 SER 30 1HB SER 30 -8.538 -2.749 8.003 192 HB3 SER 30 2HB SER 30 -8.327 -3.828 6.624 193 HG SER 30 HG SER 30 -6.499 -4.454 7.436 194 H HIS 31 H HIS 31 -5.025 -1.926 6.733 195 HA HIS 31 HA HIS 31 -4.851 -0.071 8.873 196 HB2 HIS 31 1HB HIS 31 -3.138 -1.695 8.766 197 HB3 HIS 31 2HB HIS 31 -2.804 -1.351 7.071 198 HD1 HIS 31 HD1 HIS 31 -2.523 0.413 10.430 199 HD2 HIS 31 HD2 HIS 31 -0.691 0.300 6.703 200 HE1 HIS 31 HE1 HIS 31 -0.524 1.927 10.617 201 H GLN 32 H GLN 32 -3.556 0.180 5.555 202 HA GLN 32 HA GLN 32 -2.668 2.689 5.421 203 HB2 GLN 32 1HB GLN 32 -4.493 1.370 3.408 204 HB3 GLN 32 2HB GLN 32 -3.576 2.836 3.088 205 HG2 GLN 32 1HG GLN 32 -1.495 1.584 3.545 206 HG3 GLN 32 2HG GLN 32 -2.456 0.119 3.737 207 HE21 GLN 32 1HE2 GLN 32 -0.365 0.619 1.831 208 HE22 GLN 32 2HE2 GLN 32 -1.069 0.466 0.261 209 H LYS 33 H LYS 33 -6.119 1.863 5.188 210 HA LYS 33 HA LYS 33 -7.345 4.195 4.732 211 HB2 LYS 33 1HB LYS 33 -7.995 2.079 6.764 212 HB3 LYS 33 2HB LYS 33 -9.032 3.487 6.570 213 HG2 LYS 33 1HG LYS 33 -9.126 2.866 4.099 214 HG3 LYS 33 2HG LYS 33 -8.438 1.316 4.589 215 HD2 LYS 33 1HD LYS 33 -10.809 2.327 6.072 216 HD3 LYS 33 2HD LYS 33 -11.055 1.699 4.441 217 HE2 LYS 33 1HE LYS 33 -10.137 -0.420 5.042 218 HE3 LYS 33 2HE LYS 33 -9.593 0.194 6.602 219 HZ1 LYS 33 3HZ LYS 33 -11.572 -0.203 7.497 220 HZ2 LYS 33 1HZ LYS 33 -11.959 -1.076 6.100 221 HZ3 LYS 33 2HZ LYS 33 -12.401 0.551 6.230 222 H THR 34 H THR 34 -6.063 3.269 7.918 223 HA THR 34 HA THR 34 -6.785 5.412 9.442 224 HB THR 34 HB THR 34 -4.737 5.076 10.766 225 HG1 THR 34 HG1 THR 34 -3.395 3.221 9.860 226 HG21 THR 34 3HG2 THR 34 -6.461 2.839 9.884 227 HG22 THR 34 1HG2 THR 34 -6.196 3.497 11.498 228 HG23 THR 34 2HG2 THR 34 -5.009 2.404 10.785 229 H HIS 35 H HIS 35 -3.998 5.237 7.250 230 HA HIS 35 HA HIS 35 -3.066 7.862 7.812 231 HB2 HIS 35 1HB HIS 35 -2.563 6.101 5.404 232 HB3 HIS 35 2HB HIS 35 -1.660 7.559 5.805 233 HD1 HIS 35 HD1 HIS 35 -0.600 7.363 8.419 234 HD2 HIS 35 HD2 HIS 35 -1.291 3.885 6.254 235 HE1 HIS 35 HE1 HIS 35 0.836 5.603 9.498 236 H SER 36 H SER 36 -2.850 9.507 5.976 237 HA SER 36 HA SER 36 -5.516 9.875 4.791 238 HB2 SER 36 1HB SER 36 -4.907 12.285 4.681 239 HB3 SER 36 2HB SER 36 -4.877 11.651 6.326 240 HG SER 36 HG SER 36 -3.018 12.827 6.029 241 H GLY 37 H GLY 37 -5.373 11.377 2.756 242 HA2 GLY 37 1HA GLY 37 -4.144 9.885 0.712 243 HA3 GLY 37 2HA GLY 37 -4.841 11.488 0.527 244 H GLN 38 H GLN 38 -2.293 10.115 -0.439 245 HA GLN 38 HA GLN 38 -0.465 12.275 0.379 246 HB2 GLN 38 1HB GLN 38 0.100 9.966 1.291 247 HB3 GLN 38 2HB GLN 38 0.433 9.495 -0.370 248 HG2 GLN 38 1HG GLN 38 2.239 11.001 -0.539 249 HG3 GLN 38 2HG GLN 38 1.784 11.827 0.950 250 HE21 GLN 38 1HE2 GLN 38 2.669 11.180 2.800 251 HE22 GLN 38 2HE2 GLN 38 3.632 9.760 3.003 252 H SER 39 H SER 39 0.336 13.460 -1.231 253 HA SER 39 HA SER 39 -0.329 12.731 -3.964 254 HB2 SER 39 1HB SER 39 -0.548 15.087 -2.843 255 HB3 SER 39 2HB SER 39 1.169 15.223 -3.222 256 HG SER 39 HG SER 39 -0.153 16.037 -4.906 257 H GLY 40 H GLY 40 2.621 14.060 -2.449 258 HA2 GLY 40 1HA GLY 40 4.184 12.220 -4.151 259 HA3 GLY 40 2HA GLY 40 4.635 13.908 -3.966 260 HA PRO 41 HA PRO 41 6.259 11.010 -0.471 261 HB2 PRO 41 1HB PRO 41 8.573 10.094 -1.555 262 HB3 PRO 41 2HB PRO 41 7.043 9.218 -1.677 263 HG2 PRO 41 1HG PRO 41 8.377 10.989 -3.689 264 HG3 PRO 41 2HG PRO 41 7.570 9.429 -3.932 265 HD2 PRO 41 1HD PRO 41 6.373 11.792 -4.492 266 HD3 PRO 41 2HD PRO 41 5.467 10.374 -3.926 267 H SER 42 H SER 42 7.181 12.302 0.980 268 HA SER 42 HA SER 42 8.332 14.729 0.605 269 HB2 SER 42 1HB SER 42 9.408 14.463 2.808 270 HB3 SER 42 2HB SER 42 7.755 13.850 2.822 271 HG SER 42 HG SER 42 8.951 11.754 2.253 272 H SER 43 H SER 43 9.919 15.259 -0.743 273 HA SER 43 HA SER 43 12.362 13.609 -0.737 274 HB2 SER 43 1HB SER 43 12.702 14.191 -3.076 275 HB3 SER 43 2HB SER 43 11.106 13.470 -2.876 276 HG SER 43 HG SER 43 11.355 16.252 -2.699 277 H GLY 44 H GLY 44 14.349 14.820 -1.344 278 HA2 GLY 44 1HA GLY 44 14.698 17.523 -1.482 279 HA3 GLY 44 2HA GLY 44 14.525 17.213 0.239 Start of MODEL 16 1 H1 GLY 1 H GLY 1 33.538 -2.464 3.630 2 HA2 GLY 1 1HA GLY 1 31.588 -3.616 3.257 3 HA3 GLY 1 2HA GLY 1 32.218 -4.811 4.381 4 H SER 2 H SER 2 29.545 -3.246 3.831 5 HA SER 2 HA SER 2 29.032 -2.220 6.507 6 HB2 SER 2 1HB SER 2 28.208 -1.031 4.450 7 HB3 SER 2 2HB SER 2 27.118 -2.388 4.170 8 HG SER 2 HG SER 2 27.076 -1.221 6.697 9 H SER 3 H SER 3 29.572 -4.786 6.825 10 HA SER 3 HA SER 3 26.998 -6.204 6.916 11 HB2 SER 3 1HB SER 3 28.296 -8.258 7.142 12 HB3 SER 3 2HB SER 3 28.851 -7.353 5.734 13 HG SER 3 HG SER 3 30.130 -6.854 8.156 14 H GLY 4 H GLY 4 25.973 -5.993 8.792 15 HA2 GLY 4 1HA GLY 4 27.437 -6.518 11.262 16 HA3 GLY 4 2HA GLY 4 26.637 -4.958 11.136 17 H SER 5 H SER 5 24.276 -5.522 9.958 18 HA SER 5 HA SER 5 22.971 -7.798 11.082 19 HB2 SER 5 1HB SER 5 23.279 -6.253 13.078 20 HB3 SER 5 2HB SER 5 22.170 -5.141 12.276 21 HG SER 5 HG SER 5 20.539 -6.526 12.566 22 H SER 6 H SER 6 21.338 -8.284 9.777 23 HA SER 6 HA SER 6 19.747 -6.170 8.556 24 HB2 SER 6 1HB SER 6 20.069 -6.898 6.306 25 HB3 SER 6 2HB SER 6 21.679 -6.722 7.003 26 HG SER 6 HG SER 6 20.760 -8.826 5.823 27 H GLY 7 H GLY 7 17.662 -6.773 8.085 28 HA2 GLY 7 1HA GLY 7 16.807 -9.299 9.246 29 HA3 GLY 7 2HA GLY 7 15.765 -7.982 8.728 30 H THR 8 H THR 8 14.883 -10.373 8.076 31 HA THR 8 HA THR 8 15.307 -10.480 5.180 32 HB THR 8 HB THR 8 15.216 -12.989 5.269 33 HG1 THR 8 HG1 THR 8 15.705 -12.509 8.039 34 HG21 THR 8 3HG2 THR 8 17.546 -11.559 6.543 35 HG22 THR 8 1HG2 THR 8 17.330 -11.959 4.840 36 HG23 THR 8 2HG2 THR 8 17.601 -13.242 6.019 37 H GLY 9 H GLY 9 13.435 -10.467 4.115 38 HA2 GLY 9 1HA GLY 9 11.235 -11.890 4.184 39 HA3 GLY 9 2HA GLY 9 10.972 -10.932 5.634 40 H GLU 10 H GLU 10 11.237 -10.850 2.143 41 HA GLU 10 HA GLU 10 10.324 -8.067 2.108 42 HB2 GLU 10 1HB GLU 10 11.691 -9.849 0.152 43 HB3 GLU 10 2HB GLU 10 10.649 -8.585 -0.485 44 HG2 GLU 10 1HG GLU 10 11.950 -6.880 0.500 45 HG3 GLU 10 2HG GLU 10 12.839 -8.034 1.493 46 H ASN 11 H ASN 11 8.168 -8.356 2.703 47 HA ASN 11 HA ASN 11 6.465 -10.186 1.282 48 HB2 ASN 11 1HB ASN 11 6.063 -8.134 3.428 49 HB3 ASN 11 2HB ASN 11 4.665 -8.766 2.562 50 HD21 ASN 11 1HD2 ASN 11 6.718 -9.214 5.140 51 HD22 ASN 11 2HD2 ASN 11 6.319 -10.852 5.520 52 HA PRO 12 HA PRO 12 5.251 -7.628 -2.077 53 HB2 PRO 12 1HB PRO 12 2.725 -8.533 -2.495 54 HB3 PRO 12 2HB PRO 12 4.163 -9.471 -2.914 55 HG2 PRO 12 1HG PRO 12 2.397 -9.685 -0.507 56 HG3 PRO 12 2HG PRO 12 3.094 -10.977 -1.501 57 HD2 PRO 12 1HD PRO 12 4.150 -10.242 0.881 58 HD3 PRO 12 2HD PRO 12 5.145 -10.844 -0.460 59 H TYR 13 H TYR 13 3.901 -7.356 0.985 60 HA TYR 13 HA TYR 13 2.436 -4.929 0.185 61 HB2 TYR 13 1HB TYR 13 1.656 -6.604 2.562 62 HB3 TYR 13 2HB TYR 13 0.719 -5.356 1.749 63 HD1 TYR 13 HD2 TYR 13 0.459 -5.948 -0.924 64 HD2 TYR 13 HD1 TYR 13 0.870 -8.742 2.259 65 HE1 TYR 13 HE2 TYR 13 -0.646 -7.665 -2.296 66 HE2 TYR 13 HE1 TYR 13 -0.233 -10.467 0.896 67 HH TYR 13 HH TYR 13 -1.548 -10.774 -0.974 68 H GLU 14 H GLU 14 4.072 -3.507 0.666 69 HA GLU 14 HA GLU 14 4.793 -3.323 3.515 70 HB2 GLU 14 1HB GLU 14 6.629 -4.111 1.842 71 HB3 GLU 14 2HB GLU 14 6.672 -2.422 1.357 72 HG2 GLU 14 1HG GLU 14 7.270 -1.742 3.580 73 HG3 GLU 14 2HG GLU 14 7.072 -3.388 4.178 74 H CYS 15 H CYS 15 3.300 -1.745 3.994 75 HA CYS 15 HA CYS 15 2.468 0.413 2.575 76 HB2 CYS 15 1HB CYS 15 1.554 -0.067 4.758 77 HB3 CYS 15 2HB CYS 15 3.098 0.284 5.529 78 H CYS 16 H CYS 16 3.157 2.476 2.128 79 HA CYS 16 HA CYS 16 6.033 2.939 2.472 80 HB2 CYS 16 1HB CYS 16 5.420 3.038 0.179 81 HB3 CYS 16 2HB CYS 16 4.007 4.030 0.524 82 H GLU 17 H GLU 17 2.892 4.229 3.242 83 HA GLU 17 HA GLU 17 3.506 6.845 3.917 84 HB2 GLU 17 1HB GLU 17 1.486 4.891 4.975 85 HB3 GLU 17 2HB GLU 17 1.631 6.494 5.682 86 HG2 GLU 17 1HG GLU 17 0.951 5.822 2.832 87 HG3 GLU 17 2HG GLU 17 -0.114 6.520 4.051 88 H CYS 18 H CYS 18 3.372 4.070 6.160 89 HA CYS 18 HA CYS 18 5.121 5.565 7.990 90 HB2 CYS 18 1HB CYS 18 4.337 4.013 9.730 91 HB3 CYS 18 2HB CYS 18 2.992 4.846 8.958 92 H GLY 19 H GLY 19 4.665 2.356 6.536 93 HA2 GLY 19 1HA GLY 19 6.679 1.313 5.580 94 HA3 GLY 19 2HA GLY 19 7.540 1.861 7.010 95 H LYS 20 H LYS 20 4.322 0.448 7.027 96 HA LYS 20 HA LYS 20 5.341 -1.699 8.734 97 HB2 LYS 20 1HB LYS 20 3.260 -0.123 9.187 98 HB3 LYS 20 2HB LYS 20 2.429 -1.316 8.199 99 HG2 LYS 20 1HG LYS 20 3.068 -3.078 9.729 100 HG3 LYS 20 2HG LYS 20 3.999 -1.931 10.694 101 HD2 LYS 20 1HD LYS 20 1.796 -0.644 10.942 102 HD3 LYS 20 2HD LYS 20 1.021 -2.115 10.350 103 HE2 LYS 20 1HE LYS 20 0.960 -2.269 12.699 104 HE3 LYS 20 2HE LYS 20 2.265 -3.339 12.189 105 HZ1 LYS 20 3HZ LYS 20 3.602 -1.071 12.559 106 HZ2 LYS 20 1HZ LYS 20 3.387 -2.230 13.772 107 HZ3 LYS 20 2HZ LYS 20 2.381 -0.872 13.713 108 H VAL 21 H VAL 21 5.042 -3.863 8.293 109 HA VAL 21 HA VAL 21 4.382 -4.483 5.499 110 HB VAL 21 HB VAL 21 5.752 -6.317 7.461 111 HG11 VAL 21 1HG1 VAL 21 5.186 -6.342 4.541 112 HG12 VAL 21 2HG1 VAL 21 6.685 -7.079 5.113 113 HG13 VAL 21 3HG1 VAL 21 5.131 -7.657 5.715 114 HG21 VAL 21 3HG2 VAL 21 7.573 -5.225 5.559 115 HG22 VAL 21 1HG2 VAL 21 6.766 -3.901 6.399 116 HG23 VAL 21 2HG2 VAL 21 7.626 -5.134 7.319 117 H PHE 22 H PHE 22 3.351 -6.649 5.136 118 HA PHE 22 HA PHE 22 1.655 -7.620 7.277 119 HB2 PHE 22 1HB PHE 22 0.482 -6.420 4.759 120 HB3 PHE 22 2HB PHE 22 -0.427 -7.331 5.961 121 HD1 PHE 22 HD2 PHE 22 1.522 -4.241 5.409 122 HD2 PHE 22 HD1 PHE 22 -1.229 -6.304 7.917 123 HE1 PHE 22 HE2 PHE 22 1.124 -2.167 6.671 124 HE2 PHE 22 HE1 PHE 22 -1.633 -4.233 9.183 125 HZ PHE 22 HZ PHE 22 -0.455 -2.162 8.562 126 H SER 23 H SER 23 0.210 -9.448 6.403 127 HA SER 23 HA SER 23 1.903 -11.134 4.716 128 HB2 SER 23 1HB SER 23 0.965 -11.823 7.039 129 HB3 SER 23 2HB SER 23 -0.549 -12.088 6.174 130 HG SER 23 HG SER 23 0.248 -13.893 5.484 131 H ARG 24 H ARG 24 -1.459 -10.042 4.995 132 HA ARG 24 HA ARG 24 -1.833 -10.762 2.162 133 HB2 ARG 24 1HB ARG 24 -3.929 -10.824 4.341 134 HB3 ARG 24 2HB ARG 24 -4.188 -11.218 2.646 135 HG2 ARG 24 1HG ARG 24 -2.691 -13.124 2.843 136 HG3 ARG 24 2HG ARG 24 -2.384 -12.718 4.533 137 HD2 ARG 24 1HD ARG 24 -4.618 -13.205 5.150 138 HD3 ARG 24 2HD ARG 24 -5.141 -13.272 3.467 139 HE ARG 24 HE ARG 24 -4.007 -15.394 4.987 140 HH11 ARG 24 1HH1 ARG 24 -4.184 -14.050 1.780 141 HH12 ARG 24 2HH1 ARG 24 -3.895 -15.564 0.988 142 HH21 ARG 24 1HH2 ARG 24 -3.625 -17.393 3.956 143 HH22 ARG 24 2HH2 ARG 24 -3.578 -17.465 2.228 144 H LYS 25 H LYS 25 -2.572 -9.204 0.841 145 HA LYS 25 HA LYS 25 -2.384 -6.553 1.313 146 HB2 LYS 25 1HB LYS 25 -2.875 -7.674 -0.892 147 HB3 LYS 25 2HB LYS 25 -4.568 -7.721 -0.417 148 HG2 LYS 25 1HG LYS 25 -4.697 -5.336 -0.384 149 HG3 LYS 25 2HG LYS 25 -2.953 -5.190 -0.621 150 HD2 LYS 25 1HD LYS 25 -3.241 -6.358 -2.816 151 HD3 LYS 25 2HD LYS 25 -4.987 -6.253 -2.578 152 HE2 LYS 25 1HE LYS 25 -3.368 -3.768 -2.334 153 HE3 LYS 25 2HE LYS 25 -3.657 -4.422 -3.945 154 HZ1 LYS 25 3HZ LYS 25 -6.093 -4.483 -3.212 155 HZ2 LYS 25 1HZ LYS 25 -5.421 -2.980 -3.605 156 HZ3 LYS 25 2HZ LYS 25 -5.621 -3.420 -1.984 157 H ASP 26 H ASP 26 -5.316 -8.494 1.804 158 HA ASP 26 HA ASP 26 -7.168 -6.627 2.468 159 HB2 ASP 26 1HB ASP 26 -6.782 -9.091 4.164 160 HB3 ASP 26 2HB ASP 26 -8.290 -8.276 3.759 161 H GLN 27 H GLN 27 -4.930 -8.090 4.832 162 HA GLN 27 HA GLN 27 -5.619 -6.522 7.014 163 HB2 GLN 27 1HB GLN 27 -2.872 -7.604 6.364 164 HB3 GLN 27 2HB GLN 27 -3.449 -7.124 7.955 165 HG2 GLN 27 1HG GLN 27 -4.266 -9.487 6.305 166 HG3 GLN 27 2HG GLN 27 -3.579 -9.457 7.928 167 HE21 GLN 27 1HE2 GLN 27 -6.370 -9.764 6.158 168 HE22 GLN 27 2HE2 GLN 27 -7.523 -9.484 7.413 169 H LEU 28 H LEU 28 -3.487 -5.820 4.323 170 HA LEU 28 HA LEU 28 -2.301 -3.493 5.445 171 HB2 LEU 28 1HB LEU 28 -1.319 -4.774 3.584 172 HB3 LEU 28 2HB LEU 28 -2.646 -4.253 2.548 173 HG LEU 28 HG LEU 28 -1.736 -1.854 3.263 174 HD11 LEU 28 1HD1 LEU 28 0.039 -2.360 4.659 175 HD12 LEU 28 2HD1 LEU 28 0.833 -2.109 3.105 176 HD13 LEU 28 3HD1 LEU 28 0.541 -3.746 3.691 177 HD21 LEU 28 3HD2 LEU 28 -0.495 -3.586 1.127 178 HD22 LEU 28 1HD2 LEU 28 -0.477 -1.823 1.175 179 HD23 LEU 28 2HD2 LEU 28 -2.004 -2.684 0.979 180 H VAL 29 H VAL 29 -4.907 -3.943 3.059 181 HA VAL 29 HA VAL 29 -5.574 -1.365 2.489 182 HB VAL 29 HB VAL 29 -7.525 -3.610 3.019 183 HG11 VAL 29 1HG1 VAL 29 -9.194 -2.383 2.043 184 HG12 VAL 29 2HG1 VAL 29 -8.292 -1.096 2.847 185 HG13 VAL 29 3HG1 VAL 29 -8.071 -1.384 1.121 186 HG21 VAL 29 3HG2 VAL 29 -7.423 -3.601 0.409 187 HG22 VAL 29 1HG2 VAL 29 -5.852 -2.842 0.669 188 HG23 VAL 29 2HG2 VAL 29 -6.181 -4.440 1.339 189 H SER 30 H SER 30 -6.809 -3.237 5.257 190 HA SER 30 HA SER 30 -8.396 -1.248 6.383 191 HB2 SER 30 1HB SER 30 -8.617 -3.472 7.212 192 HB3 SER 30 2HB SER 30 -6.909 -3.557 7.639 193 HG SER 30 HG SER 30 -7.659 -2.993 9.533 194 H HIS 31 H HIS 31 -4.984 -2.019 6.996 195 HA HIS 31 HA HIS 31 -4.538 -0.073 8.969 196 HB2 HIS 31 1HB HIS 31 -2.830 -1.621 8.883 197 HB3 HIS 31 2HB HIS 31 -2.797 -1.646 7.122 198 HD1 HIS 31 HD1 HIS 31 -1.844 0.713 9.949 199 HD2 HIS 31 HD2 HIS 31 -0.745 -0.235 6.056 200 HE1 HIS 31 HE1 HIS 31 0.201 2.096 9.472 201 H GLN 32 H GLN 32 -3.650 0.033 5.512 202 HA GLN 32 HA GLN 32 -2.631 2.492 5.222 203 HB2 GLN 32 1HB GLN 32 -4.719 1.209 3.457 204 HB3 GLN 32 2HB GLN 32 -3.790 2.630 2.997 205 HG2 GLN 32 1HG GLN 32 -1.736 1.379 3.100 206 HG3 GLN 32 2HG GLN 32 -2.593 -0.038 3.704 207 HE21 GLN 32 1HE2 GLN 32 -0.947 0.288 1.314 208 HE22 GLN 32 2HE2 GLN 32 -1.952 -0.154 -0.020 209 H LYS 33 H LYS 33 -5.936 1.780 6.045 210 HA LYS 33 HA LYS 33 -7.253 4.115 5.441 211 HB2 LYS 33 1HB LYS 33 -7.540 2.415 7.924 212 HB3 LYS 33 2HB LYS 33 -8.700 3.631 7.405 213 HG2 LYS 33 1HG LYS 33 -7.948 1.448 5.523 214 HG3 LYS 33 2HG LYS 33 -9.069 1.109 6.844 215 HD2 LYS 33 1HD LYS 33 -10.533 1.738 5.189 216 HD3 LYS 33 2HD LYS 33 -10.249 3.290 5.982 217 HE2 LYS 33 1HE LYS 33 -8.976 4.094 4.253 218 HE3 LYS 33 2HE LYS 33 -8.456 2.488 3.746 219 HZ1 LYS 33 3HZ LYS 33 -9.980 3.463 2.151 220 HZ2 LYS 33 1HZ LYS 33 -11.166 3.636 3.345 221 HZ3 LYS 33 2HZ LYS 33 -10.671 2.092 2.861 222 H THR 34 H THR 34 -5.384 3.423 8.388 223 HA THR 34 HA THR 34 -5.747 5.724 9.809 224 HB THR 34 HB THR 34 -4.355 3.803 10.557 225 HG1 THR 34 HG1 THR 34 -2.850 5.148 11.685 226 HG21 THR 34 3HG2 THR 34 -2.787 3.156 9.072 227 HG22 THR 34 1HG2 THR 34 -1.799 4.397 9.839 228 HG23 THR 34 2HG2 THR 34 -2.668 4.759 8.347 229 H HIS 35 H HIS 35 -4.077 5.361 6.807 230 HA HIS 35 HA HIS 35 -2.882 8.025 7.028 231 HB2 HIS 35 1HB HIS 35 -2.576 6.044 4.767 232 HB3 HIS 35 2HB HIS 35 -1.584 7.464 5.086 233 HD1 HIS 35 HD1 HIS 35 -0.788 7.130 7.949 234 HD2 HIS 35 HD2 HIS 35 -0.981 3.932 5.303 235 HE1 HIS 35 HE1 HIS 35 0.714 5.362 8.920 236 H SER 36 H SER 36 -3.891 9.733 6.223 237 HA SER 36 HA SER 36 -5.225 9.722 3.713 238 HB2 SER 36 1HB SER 36 -6.889 8.626 5.380 239 HB3 SER 36 2HB SER 36 -7.093 10.261 6.008 240 HG SER 36 HG SER 36 -8.610 10.048 4.442 241 H GLY 37 H GLY 37 -4.796 11.661 2.909 242 HA2 GLY 37 1HA GLY 37 -5.537 14.106 3.859 243 HA3 GLY 37 2HA GLY 37 -3.976 13.826 4.617 244 H GLN 38 H GLN 38 -5.491 13.591 1.398 245 HA GLN 38 HA GLN 38 -3.356 13.607 -0.245 246 HB2 GLN 38 1HB GLN 38 -5.806 13.733 -0.884 247 HB3 GLN 38 2HB GLN 38 -5.680 15.477 -0.696 248 HG2 GLN 38 1HG GLN 38 -5.439 15.012 -2.998 249 HG3 GLN 38 2HG GLN 38 -3.838 15.433 -2.391 250 HE21 GLN 38 1HE2 GLN 38 -3.614 14.255 -4.624 251 HE22 GLN 38 2HE2 GLN 38 -3.234 12.574 -4.504 252 H SER 39 H SER 39 -4.792 16.566 1.126 253 HA SER 39 HA SER 39 -3.184 18.489 0.085 254 HB2 SER 39 1HB SER 39 -5.062 18.846 1.715 255 HB3 SER 39 2HB SER 39 -3.953 18.396 3.010 256 HG SER 39 HG SER 39 -3.479 20.446 2.983 257 H GLY 40 H GLY 40 -1.388 19.728 1.192 258 HA2 GLY 40 1HA GLY 40 0.606 19.771 2.448 259 HA3 GLY 40 2HA GLY 40 0.432 18.047 2.742 260 HA PRO 41 HA PRO 41 2.349 18.719 -1.683 261 HB2 PRO 41 1HB PRO 41 3.625 21.096 -1.990 262 HB3 PRO 41 2HB PRO 41 1.930 20.852 -2.428 263 HG2 PRO 41 1HG PRO 41 3.090 22.084 0.042 264 HG3 PRO 41 2HG PRO 41 1.712 22.623 -0.937 265 HD2 PRO 41 1HD PRO 41 1.407 21.266 1.387 266 HD3 PRO 41 2HD PRO 41 0.270 21.108 0.032 267 H SER 42 H SER 42 3.742 17.174 -0.758 268 HA SER 42 HA SER 42 6.318 18.258 0.180 269 HB2 SER 42 1HB SER 42 4.658 16.007 1.204 270 HB3 SER 42 2HB SER 42 6.410 15.804 1.233 271 HG SER 42 HG SER 42 4.884 17.856 2.457 272 H SER 43 H SER 43 7.492 18.198 -1.666 273 HA SER 43 HA SER 43 7.838 15.558 -2.922 274 HB2 SER 43 1HB SER 43 7.744 18.234 -4.334 275 HB3 SER 43 2HB SER 43 8.142 16.697 -5.101 276 HG SER 43 HG SER 43 6.026 16.830 -5.454 277 H GLY 44 H GLY 44 9.916 15.029 -3.603 278 HA2 GLY 44 1HA GLY 44 12.022 16.740 -2.455 279 HA3 GLY 44 2HA GLY 44 12.154 15.006 -2.710 Start of MODEL 17 1 H1 GLY 1 H GLY 1 25.597 5.555 11.164 2 HA2 GLY 1 1HA GLY 1 23.005 6.438 10.220 3 HA3 GLY 1 2HA GLY 1 23.591 4.965 9.463 4 H SER 2 H SER 2 21.335 5.628 11.392 5 HA SER 2 HA SER 2 22.067 3.878 13.626 6 HB2 SER 2 1HB SER 2 20.967 6.127 14.033 7 HB3 SER 2 2HB SER 2 19.508 5.454 13.306 8 HG SER 2 HG SER 2 19.517 3.861 14.938 9 H SER 3 H SER 3 20.614 2.175 14.281 10 HA SER 3 HA SER 3 20.046 0.282 12.450 11 HB2 SER 3 1HB SER 3 19.854 -0.024 14.909 12 HB3 SER 3 2HB SER 3 18.312 0.830 14.871 13 HG SER 3 HG SER 3 18.924 -1.587 13.511 14 H GLY 4 H GLY 4 18.248 -0.422 11.254 15 HA2 GLY 4 1HA GLY 4 15.931 1.329 11.050 16 HA3 GLY 4 2HA GLY 4 16.944 1.229 9.617 17 H SER 5 H SER 5 16.320 -0.204 8.158 18 HA SER 5 HA SER 5 14.731 -2.515 9.066 19 HB2 SER 5 1HB SER 5 13.711 -2.494 6.795 20 HB3 SER 5 2HB SER 5 13.395 -1.014 7.699 21 HG SER 5 HG SER 5 14.052 -0.621 5.524 22 H SER 6 H SER 6 16.037 -4.229 9.139 23 HA SER 6 HA SER 6 17.560 -4.900 6.726 24 HB2 SER 6 1HB SER 6 19.089 -3.849 8.429 25 HB3 SER 6 2HB SER 6 18.714 -5.193 9.507 26 HG SER 6 HG SER 6 19.652 -6.597 8.052 27 H GLY 7 H GLY 7 17.526 -7.027 6.189 28 HA2 GLY 7 1HA GLY 7 17.488 -9.358 7.140 29 HA3 GLY 7 2HA GLY 7 16.082 -8.816 8.046 30 H THR 8 H THR 8 16.460 -10.968 6.007 31 HA THR 8 HA THR 8 15.345 -10.393 3.552 32 HB THR 8 HB THR 8 14.656 -12.714 3.408 33 HG1 THR 8 HG1 THR 8 15.364 -13.155 6.101 34 HG21 THR 8 3HG2 THR 8 16.808 -13.212 3.135 35 HG22 THR 8 1HG2 THR 8 16.976 -13.437 4.876 36 HG23 THR 8 2HG2 THR 8 17.264 -11.852 4.160 37 H GLY 9 H GLY 9 13.116 -11.123 2.799 38 HA2 GLY 9 1HA GLY 9 10.832 -11.405 4.164 39 HA3 GLY 9 2HA GLY 9 11.154 -9.693 4.395 40 H GLU 10 H GLU 10 11.772 -8.568 2.215 41 HA GLU 10 HA GLU 10 10.655 -7.656 0.406 42 HB2 GLU 10 1HB GLU 10 11.379 -10.452 -0.479 43 HB3 GLU 10 2HB GLU 10 10.864 -9.182 -1.581 44 HG2 GLU 10 1HG GLU 10 13.262 -8.990 0.224 45 HG3 GLU 10 2HG GLU 10 13.320 -9.495 -1.463 46 H ASN 11 H ASN 11 8.676 -8.159 2.080 47 HA ASN 11 HA ASN 11 6.738 -10.021 1.130 48 HB2 ASN 11 1HB ASN 11 6.775 -7.825 3.157 49 HB3 ASN 11 2HB ASN 11 5.217 -8.441 2.614 50 HD21 ASN 11 1HD2 ASN 11 8.259 -9.304 4.125 51 HD22 ASN 11 2HD2 ASN 11 7.675 -10.718 4.928 52 HA PRO 12 HA PRO 12 4.929 -7.735 -2.166 53 HB2 PRO 12 1HB PRO 12 2.450 -8.842 -2.164 54 HB3 PRO 12 2HB PRO 12 3.882 -9.694 -2.753 55 HG2 PRO 12 1HG PRO 12 2.508 -9.908 -0.102 56 HG3 PRO 12 2HG PRO 12 3.153 -11.197 -1.135 57 HD2 PRO 12 1HD PRO 12 4.483 -10.261 1.031 58 HD3 PRO 12 2HD PRO 12 5.318 -10.860 -0.417 59 H TYR 13 H TYR 13 3.958 -7.451 1.055 60 HA TYR 13 HA TYR 13 2.344 -5.083 0.393 61 HB2 TYR 13 1HB TYR 13 1.697 -6.848 2.745 62 HB3 TYR 13 2HB TYR 13 0.705 -5.590 2.017 63 HD1 TYR 13 HD2 TYR 13 0.290 -6.084 -0.638 64 HD2 TYR 13 HD1 TYR 13 0.983 -9.002 2.380 65 HE1 TYR 13 HE2 TYR 13 -0.845 -7.774 -2.019 66 HE2 TYR 13 HE1 TYR 13 -0.149 -10.700 1.007 67 HH TYR 13 HH TYR 13 -2.131 -10.315 -1.131 68 H GLU 14 H GLU 14 3.748 -3.511 0.936 69 HA GLU 14 HA GLU 14 4.676 -3.458 3.723 70 HB2 GLU 14 1HB GLU 14 6.618 -4.099 2.486 71 HB3 GLU 14 2HB GLU 14 6.312 -2.883 1.254 72 HG2 GLU 14 1HG GLU 14 6.561 -1.219 3.249 73 HG3 GLU 14 2HG GLU 14 7.422 -2.563 3.998 74 H CYS 15 H CYS 15 3.179 -1.959 4.370 75 HA CYS 15 HA CYS 15 2.092 0.176 3.156 76 HB2 CYS 15 1HB CYS 15 1.565 -0.363 5.456 77 HB3 CYS 15 2HB CYS 15 3.184 0.094 5.975 78 H CYS 16 H CYS 16 3.134 1.431 1.723 79 HA CYS 16 HA CYS 16 5.790 2.445 2.263 80 HB2 CYS 16 1HB CYS 16 5.157 1.741 -0.013 81 HB3 CYS 16 2HB CYS 16 3.921 2.994 -0.053 82 H GLU 17 H GLU 17 3.949 3.310 4.171 83 HA GLU 17 HA GLU 17 3.855 6.195 3.588 84 HB2 GLU 17 1HB GLU 17 1.822 4.593 5.150 85 HB3 GLU 17 2HB GLU 17 1.817 6.343 4.980 86 HG2 GLU 17 1HG GLU 17 1.580 4.397 2.697 87 HG3 GLU 17 2HG GLU 17 0.224 5.204 3.483 88 H CYS 18 H CYS 18 3.933 3.733 6.146 89 HA CYS 18 HA CYS 18 5.432 5.644 7.817 90 HB2 CYS 18 1HB CYS 18 4.535 4.499 9.785 91 HB3 CYS 18 2HB CYS 18 3.230 5.104 8.769 92 H GLY 19 H GLY 19 5.008 2.196 7.056 93 HA2 GLY 19 1HA GLY 19 7.177 1.100 6.400 94 HA3 GLY 19 2HA GLY 19 7.809 1.772 7.896 95 H LYS 20 H LYS 20 4.951 -0.115 6.893 96 HA LYS 20 HA LYS 20 5.631 -2.091 8.951 97 HB2 LYS 20 1HB LYS 20 3.013 -0.646 8.625 98 HB3 LYS 20 2HB LYS 20 3.089 -2.233 9.379 99 HG2 LYS 20 1HG LYS 20 4.895 -1.143 10.891 100 HG3 LYS 20 2HG LYS 20 4.180 0.374 10.342 101 HD2 LYS 20 1HD LYS 20 2.008 -0.316 11.167 102 HD3 LYS 20 2HD LYS 20 2.656 -1.891 11.629 103 HE2 LYS 20 1HE LYS 20 4.348 -0.372 12.993 104 HE3 LYS 20 2HE LYS 20 3.005 0.767 12.912 105 HZ1 LYS 20 3HZ LYS 20 3.087 -1.896 14.183 106 HZ2 LYS 20 1HZ LYS 20 1.613 -1.188 13.746 107 HZ3 LYS 20 2HZ LYS 20 2.627 -0.413 14.856 108 H VAL 21 H VAL 21 5.571 -4.106 8.200 109 HA VAL 21 HA VAL 21 4.509 -4.582 5.531 110 HB VAL 21 HB VAL 21 5.993 -6.508 7.322 111 HG11 VAL 21 1HG1 VAL 21 6.467 -7.683 5.215 112 HG12 VAL 21 2HG1 VAL 21 4.737 -7.596 5.553 113 HG13 VAL 21 3HG1 VAL 21 5.457 -6.521 4.354 114 HG21 VAL 21 3HG2 VAL 21 6.944 -4.353 5.506 115 HG22 VAL 21 1HG2 VAL 21 7.615 -4.922 7.034 116 HG23 VAL 21 2HG2 VAL 21 7.853 -5.863 5.562 117 H PHE 22 H PHE 22 3.160 -6.429 5.065 118 HA PHE 22 HA PHE 22 1.579 -7.413 7.332 119 HB2 PHE 22 1HB PHE 22 0.467 -6.208 4.792 120 HB3 PHE 22 2HB PHE 22 -0.494 -7.119 5.952 121 HD1 PHE 22 HD2 PHE 22 1.817 -4.198 5.806 122 HD2 PHE 22 HD1 PHE 22 -1.607 -5.974 7.606 123 HE1 PHE 22 HE2 PHE 22 1.430 -2.138 7.094 124 HE2 PHE 22 HE1 PHE 22 -2.000 -3.917 8.897 125 HZ PHE 22 HZ PHE 22 -0.480 -1.996 8.643 126 H SER 23 H SER 23 0.224 -9.306 6.740 127 HA SER 23 HA SER 23 1.789 -11.130 5.129 128 HB2 SER 23 1HB SER 23 0.632 -11.607 7.419 129 HB3 SER 23 2HB SER 23 -0.814 -11.856 6.440 130 HG SER 23 HG SER 23 0.773 -13.698 6.932 131 H ARG 24 H ARG 24 -1.531 -9.871 5.143 132 HA ARG 24 HA ARG 24 -1.717 -10.588 2.294 133 HB2 ARG 24 1HB ARG 24 -3.938 -10.771 4.338 134 HB3 ARG 24 2HB ARG 24 -4.104 -11.083 2.615 135 HG2 ARG 24 1HG ARG 24 -2.662 -12.998 2.767 136 HG3 ARG 24 2HG ARG 24 -2.309 -12.643 4.459 137 HD2 ARG 24 1HD ARG 24 -4.892 -12.807 4.746 138 HD3 ARG 24 2HD ARG 24 -4.821 -13.691 3.222 139 HE ARG 24 HE ARG 24 -2.940 -14.717 5.081 140 HH11 ARG 24 1HH1 ARG 24 -6.337 -14.681 4.322 141 HH12 ARG 24 2HH1 ARG 24 -6.652 -16.216 5.061 142 HH21 ARG 24 1HH2 ARG 24 -3.341 -16.739 6.057 143 HH22 ARG 24 2HH2 ARG 24 -4.947 -17.385 6.049 144 H LYS 25 H LYS 25 -2.383 -9.007 0.964 145 HA LYS 25 HA LYS 25 -2.270 -6.382 1.432 146 HB2 LYS 25 1HB LYS 25 -2.827 -7.591 -0.757 147 HB3 LYS 25 2HB LYS 25 -4.511 -7.457 -0.270 148 HG2 LYS 25 1HG LYS 25 -4.176 -5.631 -1.669 149 HG3 LYS 25 2HG LYS 25 -4.055 -4.950 -0.045 150 HD2 LYS 25 1HD LYS 25 -1.720 -4.773 -0.173 151 HD3 LYS 25 2HD LYS 25 -1.625 -5.875 -1.549 152 HE2 LYS 25 1HE LYS 25 -2.999 -3.199 -1.673 153 HE3 LYS 25 2HE LYS 25 -1.294 -3.422 -2.062 154 HZ1 LYS 25 3HZ LYS 25 -3.400 -3.713 -3.781 155 HZ2 LYS 25 1HZ LYS 25 -2.952 -5.304 -3.422 156 HZ3 LYS 25 2HZ LYS 25 -1.811 -4.226 -4.052 157 H ASP 26 H ASP 26 -5.293 -8.238 1.765 158 HA ASP 26 HA ASP 26 -7.108 -6.412 2.488 159 HB2 ASP 26 1HB ASP 26 -7.357 -8.937 2.544 160 HB3 ASP 26 2HB ASP 26 -6.696 -8.881 4.176 161 H GLN 27 H GLN 27 -4.898 -7.862 4.888 162 HA GLN 27 HA GLN 27 -5.593 -6.237 7.033 163 HB2 GLN 27 1HB GLN 27 -2.871 -7.417 6.451 164 HB3 GLN 27 2HB GLN 27 -3.453 -6.878 8.021 165 HG2 GLN 27 1HG GLN 27 -4.331 -9.253 6.419 166 HG3 GLN 27 2HG GLN 27 -3.653 -9.208 8.045 167 HE21 GLN 27 1HE2 GLN 27 -6.242 -10.207 6.795 168 HE22 GLN 27 2HE2 GLN 27 -7.470 -9.571 7.830 169 H LEU 28 H LEU 28 -3.347 -5.669 4.394 170 HA LEU 28 HA LEU 28 -2.137 -3.347 5.487 171 HB2 LEU 28 1HB LEU 28 -1.109 -4.662 3.703 172 HB3 LEU 28 2HB LEU 28 -2.422 -4.216 2.614 173 HG LEU 28 HG LEU 28 -1.557 -1.769 3.214 174 HD11 LEU 28 1HD1 LEU 28 0.181 -2.267 4.705 175 HD12 LEU 28 2HD1 LEU 28 0.984 -1.918 3.175 176 HD13 LEU 28 3HD1 LEU 28 0.780 -3.588 3.702 177 HD21 LEU 28 3HD2 LEU 28 -0.498 -3.702 1.172 178 HD22 LEU 28 1HD2 LEU 28 -0.044 -1.998 1.186 179 HD23 LEU 28 2HD2 LEU 28 -1.734 -2.458 0.972 180 H VAL 29 H VAL 29 -4.878 -3.870 3.314 181 HA VAL 29 HA VAL 29 -5.384 -1.190 2.665 182 HB VAL 29 HB VAL 29 -7.276 -3.535 2.855 183 HG11 VAL 29 1HG1 VAL 29 -8.894 -2.241 1.644 184 HG12 VAL 29 2HG1 VAL 29 -8.438 -1.347 3.096 185 HG13 VAL 29 3HG1 VAL 29 -7.782 -0.877 1.527 186 HG21 VAL 29 3HG2 VAL 29 -5.529 -3.792 1.185 187 HG22 VAL 29 1HG2 VAL 29 -7.089 -3.528 0.405 188 HG23 VAL 29 2HG2 VAL 29 -5.919 -2.212 0.506 189 H SER 30 H SER 30 -6.579 -3.199 5.329 190 HA SER 30 HA SER 30 -8.369 -1.322 6.411 191 HB2 SER 30 1HB SER 30 -8.298 -3.757 6.993 192 HB3 SER 30 2HB SER 30 -6.836 -3.446 7.928 193 HG SER 30 HG SER 30 -8.469 -3.296 9.372 194 H HIS 31 H HIS 31 -4.943 -1.493 6.462 195 HA HIS 31 HA HIS 31 -4.702 0.287 8.757 196 HB2 HIS 31 1HB HIS 31 -3.033 -1.380 8.754 197 HB3 HIS 31 2HB HIS 31 -2.712 -1.175 7.034 198 HD1 HIS 31 HD1 HIS 31 -2.411 0.937 10.192 199 HD2 HIS 31 HD2 HIS 31 -0.479 0.269 6.574 200 HE1 HIS 31 HE1 HIS 31 -0.347 2.372 10.256 201 H GLN 32 H GLN 32 -3.837 0.271 5.304 202 HA GLN 32 HA GLN 32 -2.786 2.811 5.089 203 HB2 GLN 32 1HB GLN 32 -4.377 1.154 3.144 204 HB3 GLN 32 2HB GLN 32 -3.718 2.724 2.703 205 HG2 GLN 32 1HG GLN 32 -1.495 1.644 3.647 206 HG3 GLN 32 2HG GLN 32 -2.332 0.155 3.211 207 HE21 GLN 32 1HE2 GLN 32 -1.564 -0.541 1.354 208 HE22 GLN 32 2HE2 GLN 32 -1.263 0.420 -0.049 209 H LYS 33 H LYS 33 -6.037 1.877 5.680 210 HA LYS 33 HA LYS 33 -7.363 4.177 4.699 211 HB2 LYS 33 1HB LYS 33 -8.110 2.169 6.827 212 HB3 LYS 33 2HB LYS 33 -9.182 3.463 6.309 213 HG2 LYS 33 1HG LYS 33 -9.519 2.531 4.225 214 HG3 LYS 33 2HG LYS 33 -8.029 1.588 4.291 215 HD2 LYS 33 1HD LYS 33 -9.540 -0.076 4.684 216 HD3 LYS 33 2HD LYS 33 -9.271 0.461 6.344 217 HE2 LYS 33 1HE LYS 33 -11.285 1.681 6.382 218 HE3 LYS 33 2HE LYS 33 -11.460 1.601 4.630 219 HZ1 LYS 33 3HZ LYS 33 -12.113 -0.607 4.717 220 HZ2 LYS 33 1HZ LYS 33 -12.887 0.061 6.065 221 HZ3 LYS 33 2HZ LYS 33 -11.479 -0.855 6.266 222 H THR 34 H THR 34 -5.901 3.379 7.807 223 HA THR 34 HA THR 34 -6.838 5.636 9.224 224 HB THR 34 HB THR 34 -5.844 3.566 10.260 225 HG1 THR 34 HG1 THR 34 -5.001 6.179 10.965 226 HG21 THR 34 3HG2 THR 34 -3.799 2.948 9.619 227 HG22 THR 34 1HG2 THR 34 -3.164 4.353 10.474 228 HG23 THR 34 2HG2 THR 34 -3.555 4.467 8.758 229 H HIS 35 H HIS 35 -4.342 5.229 6.888 230 HA HIS 35 HA HIS 35 -2.866 7.589 7.649 231 HB2 HIS 35 1HB HIS 35 -2.685 5.628 5.380 232 HB3 HIS 35 2HB HIS 35 -1.778 7.136 5.334 233 HD1 HIS 35 HD1 HIS 35 -0.630 7.388 8.062 234 HD2 HIS 35 HD2 HIS 35 -0.931 3.723 6.129 235 HE1 HIS 35 HE1 HIS 35 1.083 5.908 9.157 236 H SER 36 H SER 36 -3.548 9.573 7.229 237 HA SER 36 HA SER 36 -5.705 10.124 5.459 238 HB2 SER 36 1HB SER 36 -3.762 11.976 6.859 239 HB3 SER 36 2HB SER 36 -5.191 12.514 5.976 240 HG SER 36 HG SER 36 -5.115 10.863 8.282 241 H GLY 37 H GLY 37 -2.387 11.443 5.370 242 HA2 GLY 37 1HA GLY 37 -1.337 10.781 3.064 243 HA3 GLY 37 2HA GLY 37 -2.666 11.765 2.470 244 H GLN 38 H GLN 38 -2.439 13.567 4.838 245 HA GLN 38 HA GLN 38 -0.388 15.286 3.716 246 HB2 GLN 38 1HB GLN 38 -2.582 15.680 5.733 247 HB3 GLN 38 2HB GLN 38 -1.318 16.884 5.521 248 HG2 GLN 38 1HG GLN 38 -3.164 17.565 4.211 249 HG3 GLN 38 2HG GLN 38 -1.928 16.976 3.100 250 HE21 GLN 38 1HE2 GLN 38 -2.817 15.950 1.470 251 HE22 GLN 38 2HE2 GLN 38 -4.161 14.868 1.552 252 H SER 39 H SER 39 0.907 13.208 4.756 253 HA SER 39 HA SER 39 1.996 14.226 7.299 254 HB2 SER 39 1HB SER 39 2.592 11.883 7.853 255 HB3 SER 39 2HB SER 39 0.852 12.105 7.675 256 HG SER 39 HG SER 39 0.932 11.115 5.700 257 H GLY 40 H GLY 40 3.552 15.483 6.210 258 HA2 GLY 40 1HA GLY 40 5.927 13.998 5.494 259 HA3 GLY 40 2HA GLY 40 5.216 14.896 4.161 260 HA PRO 41 HA PRO 41 7.516 18.421 5.397 261 HB2 PRO 41 1HB PRO 41 5.942 20.395 4.398 262 HB3 PRO 41 2HB PRO 41 6.930 19.344 3.376 263 HG2 PRO 41 1HG PRO 41 4.006 19.178 4.000 264 HG3 PRO 41 2HG PRO 41 4.833 18.961 2.446 265 HD2 PRO 41 1HD PRO 41 4.004 16.874 3.958 266 HD3 PRO 41 2HD PRO 41 5.452 16.795 2.933 267 H SER 42 H SER 42 7.201 18.147 7.686 268 HA SER 42 HA SER 42 5.004 19.718 8.841 269 HB2 SER 42 1HB SER 42 5.587 18.558 10.968 270 HB3 SER 42 2HB SER 42 5.131 17.443 9.681 271 HG SER 42 HG SER 42 7.384 17.116 9.309 272 H SER 43 H SER 43 7.066 21.164 7.683 273 HA SER 43 HA SER 43 9.093 21.897 9.527 274 HB2 SER 43 1HB SER 43 9.372 22.309 7.143 275 HB3 SER 43 2HB SER 43 7.977 23.388 7.139 276 HG SER 43 HG SER 43 9.138 24.921 8.053 277 H GLY 44 H GLY 44 9.110 23.342 11.147 278 HA2 GLY 44 1HA GLY 44 6.882 25.244 11.372 279 HA3 GLY 44 2HA GLY 44 7.203 24.154 12.713 Start of MODEL 18 1 H1 GLY 1 H GLY 1 25.986 4.280 0.920 2 HA2 GLY 1 1HA GLY 1 24.861 3.021 -0.660 3 HA3 GLY 1 2HA GLY 1 24.891 1.665 0.458 4 H SER 2 H SER 2 23.305 4.812 -0.029 5 HA SER 2 HA SER 2 21.152 4.400 1.697 6 HB2 SER 2 1HB SER 2 21.503 6.101 -0.761 7 HB3 SER 2 2HB SER 2 19.969 6.062 0.108 8 HG SER 2 HG SER 2 21.597 6.438 1.999 9 H SER 3 H SER 3 21.495 3.640 -1.747 10 HA SER 3 HA SER 3 18.922 2.230 -1.666 11 HB2 SER 3 1HB SER 3 18.990 3.753 -3.492 12 HB3 SER 3 2HB SER 3 20.616 3.247 -3.949 13 HG SER 3 HG SER 3 18.368 1.523 -4.010 14 H GLY 4 H GLY 4 19.777 0.434 -0.476 15 HA2 GLY 4 1HA GLY 4 21.679 -1.247 -1.967 16 HA3 GLY 4 2HA GLY 4 21.321 -1.392 -0.253 17 H SER 5 H SER 5 18.903 -1.883 0.178 18 HA SER 5 HA SER 5 17.221 -3.410 0.067 19 HB2 SER 5 1HB SER 5 16.811 -2.087 -2.079 20 HB3 SER 5 2HB SER 5 17.602 -3.415 -2.928 21 HG SER 5 HG SER 5 15.153 -3.374 -1.563 22 H SER 6 H SER 6 19.753 -4.431 0.571 23 HA SER 6 HA SER 6 20.878 -6.404 -0.836 24 HB2 SER 6 1HB SER 6 21.139 -5.728 1.697 25 HB3 SER 6 2HB SER 6 20.089 -7.120 1.964 26 HG SER 6 HG SER 6 21.785 -8.310 1.697 27 H GLY 7 H GLY 7 17.855 -6.810 0.998 28 HA2 GLY 7 1HA GLY 7 16.023 -8.058 0.051 29 HA3 GLY 7 2HA GLY 7 17.197 -9.059 -0.790 30 H THR 8 H THR 8 16.284 -8.144 2.531 31 HA THR 8 HA THR 8 16.835 -10.926 3.335 32 HB THR 8 HB THR 8 17.185 -10.083 5.622 33 HG1 THR 8 HG1 THR 8 16.702 -8.080 6.109 34 HG21 THR 8 3HG2 THR 8 19.004 -10.164 3.745 35 HG22 THR 8 1HG2 THR 8 19.368 -9.395 5.289 36 HG23 THR 8 2HG2 THR 8 18.953 -8.408 3.887 37 H GLY 9 H GLY 9 14.369 -10.202 2.176 38 HA2 GLY 9 1HA GLY 9 12.394 -11.408 3.262 39 HA3 GLY 9 2HA GLY 9 12.544 -10.162 4.491 40 H GLU 10 H GLU 10 11.769 -10.779 1.116 41 HA GLU 10 HA GLU 10 10.754 -8.075 0.767 42 HB2 GLU 10 1HB GLU 10 12.015 -9.595 -0.983 43 HB3 GLU 10 2HB GLU 10 10.399 -10.221 -1.282 44 HG2 GLU 10 1HG GLU 10 10.628 -8.542 -2.856 45 HG3 GLU 10 2HG GLU 10 9.716 -7.765 -1.563 46 H ASN 11 H ASN 11 8.848 -7.707 1.718 47 HA ASN 11 HA ASN 11 6.827 -9.779 1.871 48 HB2 ASN 11 1HB ASN 11 5.556 -7.663 2.890 49 HB3 ASN 11 2HB ASN 11 6.721 -8.594 3.827 50 HD21 ASN 11 1HD2 ASN 11 6.704 -5.921 1.490 51 HD22 ASN 11 2HD2 ASN 11 7.841 -4.942 2.347 52 HA PRO 12 HA PRO 12 4.607 -8.619 -1.747 53 HB2 PRO 12 1HB PRO 12 2.145 -9.539 -1.066 54 HB3 PRO 12 2HB PRO 12 3.480 -10.608 -1.513 55 HG2 PRO 12 1HG PRO 12 2.475 -9.868 1.208 56 HG3 PRO 12 2HG PRO 12 2.968 -11.456 0.591 57 HD2 PRO 12 1HD PRO 12 4.583 -9.927 2.137 58 HD3 PRO 12 2HD PRO 12 5.212 -11.010 0.878 59 H TYR 13 H TYR 13 3.759 -7.452 1.394 60 HA TYR 13 HA TYR 13 2.462 -5.132 0.160 61 HB2 TYR 13 1HB TYR 13 1.359 -6.467 2.634 62 HB3 TYR 13 2HB TYR 13 0.650 -5.133 1.731 63 HD1 TYR 13 HD2 TYR 13 -0.143 -5.593 -0.649 64 HD2 TYR 13 HD1 TYR 13 0.823 -8.688 2.107 65 HE1 TYR 13 HE2 TYR 13 -1.440 -7.190 -1.997 66 HE2 TYR 13 HE1 TYR 13 -0.470 -10.294 0.766 67 HH TYR 13 HH TYR 13 -2.034 -9.315 -2.268 68 H GLU 14 H GLU 14 3.639 -3.431 0.715 69 HA GLU 14 HA GLU 14 4.609 -3.236 3.486 70 HB2 GLU 14 1HB GLU 14 6.373 -3.784 1.660 71 HB3 GLU 14 2HB GLU 14 6.175 -2.102 1.189 72 HG2 GLU 14 1HG GLU 14 7.013 -1.310 3.220 73 HG3 GLU 14 2HG GLU 14 6.807 -2.870 4.013 74 H CYS 15 H CYS 15 3.888 -1.486 4.487 75 HA CYS 15 HA CYS 15 2.527 0.583 2.998 76 HB2 CYS 15 1HB CYS 15 1.619 -0.298 5.132 77 HB3 CYS 15 2HB CYS 15 3.019 0.357 5.974 78 H CYS 16 H CYS 16 4.088 1.714 1.874 79 HA CYS 16 HA CYS 16 6.527 2.620 2.937 80 HB2 CYS 16 1HB CYS 16 4.845 3.496 0.600 81 HB3 CYS 16 2HB CYS 16 6.339 4.332 1.015 82 H GLU 17 H GLU 17 3.296 3.955 3.008 83 HA GLU 17 HA GLU 17 3.650 6.586 3.575 84 HB2 GLU 17 1HB GLU 17 1.746 4.608 4.817 85 HB3 GLU 17 2HB GLU 17 1.674 6.328 5.174 86 HG2 GLU 17 1HG GLU 17 0.896 6.873 3.104 87 HG3 GLU 17 2HG GLU 17 1.672 5.494 2.327 88 H CYS 18 H CYS 18 3.666 4.013 6.046 89 HA CYS 18 HA CYS 18 5.186 5.829 7.796 90 HB2 CYS 18 1HB CYS 18 4.276 4.688 9.684 91 HB3 CYS 18 2HB CYS 18 2.931 5.022 8.598 92 H GLY 19 H GLY 19 4.926 2.463 6.705 93 HA2 GLY 19 1HA GLY 19 7.095 1.461 6.011 94 HA3 GLY 19 2HA GLY 19 7.745 2.095 7.516 95 H LYS 20 H LYS 20 4.749 0.326 6.762 96 HA LYS 20 HA LYS 20 5.521 -1.638 8.818 97 HB2 LYS 20 1HB LYS 20 2.922 -0.394 8.079 98 HB3 LYS 20 2HB LYS 20 2.892 -2.074 8.601 99 HG2 LYS 20 1HG LYS 20 4.388 -0.126 10.267 100 HG3 LYS 20 2HG LYS 20 2.624 -0.077 10.303 101 HD2 LYS 20 1HD LYS 20 2.991 -1.589 11.974 102 HD3 LYS 20 2HD LYS 20 2.926 -2.693 10.598 103 HE2 LYS 20 1HE LYS 20 4.831 -3.136 12.114 104 HE3 LYS 20 2HE LYS 20 5.330 -2.749 10.468 105 HZ1 LYS 20 3HZ LYS 20 5.178 -0.380 11.982 106 HZ2 LYS 20 1HZ LYS 20 6.529 -1.074 11.236 107 HZ3 LYS 20 2HZ LYS 20 6.124 -1.504 12.821 108 H VAL 21 H VAL 21 4.359 -3.818 8.447 109 HA VAL 21 HA VAL 21 4.301 -4.508 5.594 110 HB VAL 21 HB VAL 21 5.725 -6.208 7.639 111 HG11 VAL 21 1HG1 VAL 21 6.643 -7.287 5.578 112 HG12 VAL 21 2HG1 VAL 21 4.907 -7.502 5.805 113 HG13 VAL 21 3HG1 VAL 21 5.505 -6.324 4.636 114 HG21 VAL 21 3HG2 VAL 21 6.636 -3.841 6.252 115 HG22 VAL 21 1HG2 VAL 21 7.433 -4.785 7.511 116 HG23 VAL 21 2HG2 VAL 21 7.601 -5.252 5.819 117 H PHE 22 H PHE 22 3.140 -6.447 5.099 118 HA PHE 22 HA PHE 22 1.556 -7.628 7.244 119 HB2 PHE 22 1HB PHE 22 0.345 -6.284 4.820 120 HB3 PHE 22 2HB PHE 22 -0.544 -7.329 5.924 121 HD1 PHE 22 HD2 PHE 22 1.091 -4.078 5.517 122 HD2 PHE 22 HD1 PHE 22 -1.176 -6.574 8.114 123 HE1 PHE 22 HE2 PHE 22 0.615 -2.141 6.958 124 HE2 PHE 22 HE1 PHE 22 -1.657 -4.641 9.559 125 HZ PHE 22 HZ PHE 22 -0.759 -2.421 8.982 126 H SER 23 H SER 23 0.140 -9.443 6.309 127 HA SER 23 HA SER 23 1.835 -11.004 4.506 128 HB2 SER 23 1HB SER 23 -0.377 -11.776 6.413 129 HB3 SER 23 2HB SER 23 0.347 -12.915 5.278 130 HG SER 23 HG SER 23 1.969 -13.104 6.586 131 H ARG 24 H ARG 24 -1.542 -10.005 4.913 132 HA ARG 24 HA ARG 24 -1.976 -10.625 2.064 133 HB2 ARG 24 1HB ARG 24 -4.027 -10.752 4.282 134 HB3 ARG 24 2HB ARG 24 -4.309 -11.120 2.586 135 HG2 ARG 24 1HG ARG 24 -3.198 -13.127 2.693 136 HG3 ARG 24 2HG ARG 24 -2.218 -12.631 4.075 137 HD2 ARG 24 1HD ARG 24 -4.418 -12.596 5.383 138 HD3 ARG 24 2HD ARG 24 -5.094 -13.495 4.025 139 HE ARG 24 HE ARG 24 -3.329 -14.494 6.051 140 HH11 ARG 24 1HH1 ARG 24 -4.402 -14.894 2.764 141 HH12 ARG 24 2HH1 ARG 24 -3.975 -16.571 2.691 142 HH21 ARG 24 1HH2 ARG 24 -2.762 -16.702 5.968 143 HH22 ARG 24 2HH2 ARG 24 -3.044 -17.599 4.514 144 H LYS 25 H LYS 25 -2.905 -9.081 0.812 145 HA LYS 25 HA LYS 25 -2.656 -6.432 1.290 146 HB2 LYS 25 1HB LYS 25 -3.469 -7.722 -0.832 147 HB3 LYS 25 2HB LYS 25 -5.077 -7.362 -0.215 148 HG2 LYS 25 1HG LYS 25 -4.778 -5.055 -0.453 149 HG3 LYS 25 2HG LYS 25 -3.026 -5.210 -0.601 150 HD2 LYS 25 1HD LYS 25 -3.793 -4.788 -2.785 151 HD3 LYS 25 2HD LYS 25 -3.484 -6.526 -2.734 152 HE2 LYS 25 1HE LYS 25 -5.781 -7.031 -2.590 153 HE3 LYS 25 2HE LYS 25 -6.203 -5.366 -2.193 154 HZ1 LYS 25 3HZ LYS 25 -6.787 -5.677 -4.433 155 HZ2 LYS 25 1HZ LYS 25 -5.325 -6.443 -4.807 156 HZ3 LYS 25 2HZ LYS 25 -5.349 -4.786 -4.472 157 H ASP 26 H ASP 26 -5.647 -8.283 1.855 158 HA ASP 26 HA ASP 26 -7.378 -6.433 2.743 159 HB2 ASP 26 1HB ASP 26 -7.992 -8.210 4.578 160 HB3 ASP 26 2HB ASP 26 -8.220 -8.582 2.872 161 H GLN 27 H GLN 27 -4.984 -7.970 4.898 162 HA GLN 27 HA GLN 27 -5.496 -6.415 7.150 163 HB2 GLN 27 1HB GLN 27 -2.836 -7.587 6.321 164 HB3 GLN 27 2HB GLN 27 -3.303 -7.116 7.950 165 HG2 GLN 27 1HG GLN 27 -4.284 -9.424 6.314 166 HG3 GLN 27 2HG GLN 27 -3.523 -9.438 7.904 167 HE21 GLN 27 1HE2 GLN 27 -6.040 -10.616 7.038 168 HE22 GLN 27 2HE2 GLN 27 -7.264 -9.933 8.048 169 H LEU 28 H LEU 28 -3.533 -5.756 4.327 170 HA LEU 28 HA LEU 28 -2.195 -3.483 5.403 171 HB2 LEU 28 1HB LEU 28 -1.337 -4.779 3.500 172 HB3 LEU 28 2HB LEU 28 -2.704 -4.236 2.528 173 HG LEU 28 HG LEU 28 -1.711 -1.852 3.180 174 HD11 LEU 28 1HD1 LEU 28 0.512 -3.795 3.583 175 HD12 LEU 28 2HD1 LEU 28 0.136 -2.312 4.460 176 HD13 LEU 28 3HD1 LEU 28 0.859 -2.226 2.854 177 HD21 LEU 28 3HD2 LEU 28 -0.599 -3.616 0.999 178 HD22 LEU 28 1HD2 LEU 28 -0.570 -1.853 1.031 179 HD23 LEU 28 2HD2 LEU 28 -2.109 -2.707 0.918 180 H VAL 29 H VAL 29 -4.932 -3.840 3.152 181 HA VAL 29 HA VAL 29 -5.550 -1.259 2.589 182 HB VAL 29 HB VAL 29 -7.504 -3.454 3.285 183 HG11 VAL 29 1HG1 VAL 29 -7.998 -0.877 1.798 184 HG12 VAL 29 2HG1 VAL 29 -9.170 -2.168 2.068 185 HG13 VAL 29 3HG1 VAL 29 -8.550 -1.239 3.433 186 HG21 VAL 29 3HG2 VAL 29 -5.790 -3.681 1.353 187 HG22 VAL 29 1HG2 VAL 29 -7.485 -4.060 1.048 188 HG23 VAL 29 2HG2 VAL 29 -6.820 -2.511 0.528 189 H SER 30 H SER 30 -6.824 -3.014 5.424 190 HA SER 30 HA SER 30 -8.159 -0.896 6.615 191 HB2 SER 30 1HB SER 30 -8.169 -3.368 7.281 192 HB3 SER 30 2HB SER 30 -6.705 -3.014 8.198 193 HG SER 30 HG SER 30 -8.358 -2.719 9.606 194 H HIS 31 H HIS 31 -4.755 -1.739 6.702 195 HA HIS 31 HA HIS 31 -4.043 0.085 8.772 196 HB2 HIS 31 1HB HIS 31 -2.643 -1.851 8.227 197 HB3 HIS 31 2HB HIS 31 -2.332 -1.188 6.625 198 HD1 HIS 31 HD1 HIS 31 -1.760 -0.223 10.258 199 HD2 HIS 31 HD2 HIS 31 -0.091 0.327 6.494 200 HE1 HIS 31 HE1 HIS 31 0.381 1.038 10.650 201 H GLN 32 H GLN 32 -3.836 0.203 5.227 202 HA GLN 32 HA GLN 32 -2.753 2.839 5.160 203 HB2 GLN 32 1HB GLN 32 -4.088 1.165 3.029 204 HB3 GLN 32 2HB GLN 32 -3.338 2.726 2.724 205 HG2 GLN 32 1HG GLN 32 -1.206 1.758 3.635 206 HG3 GLN 32 2HG GLN 32 -2.006 0.188 3.620 207 HE21 GLN 32 1HE2 GLN 32 0.170 0.251 2.199 208 HE22 GLN 32 2HE2 GLN 32 -0.144 0.363 0.504 209 H LYS 33 H LYS 33 -5.869 1.614 5.686 210 HA LYS 33 HA LYS 33 -7.368 3.778 4.569 211 HB2 LYS 33 1HB LYS 33 -7.978 1.465 6.364 212 HB3 LYS 33 2HB LYS 33 -9.138 2.782 6.247 213 HG2 LYS 33 1HG LYS 33 -9.246 2.457 3.819 214 HG3 LYS 33 2HG LYS 33 -8.110 1.114 3.960 215 HD2 LYS 33 1HD LYS 33 -10.175 0.049 3.912 216 HD3 LYS 33 2HD LYS 33 -9.821 0.146 5.638 217 HE2 LYS 33 1HE LYS 33 -11.388 1.804 5.999 218 HE3 LYS 33 2HE LYS 33 -11.363 2.338 4.319 219 HZ1 LYS 33 3HZ LYS 33 -13.351 1.232 4.430 220 HZ2 LYS 33 1HZ LYS 33 -12.789 0.069 5.524 221 HZ3 LYS 33 2HZ LYS 33 -12.339 -0.014 3.896 222 H THR 34 H THR 34 -5.709 3.219 7.550 223 HA THR 34 HA THR 34 -6.992 5.549 8.790 224 HB THR 34 HB THR 34 -6.903 3.523 10.171 225 HG1 THR 34 HG1 THR 34 -6.371 5.863 10.940 226 HG21 THR 34 3HG2 THR 34 -4.661 2.801 11.046 227 HG22 THR 34 1HG2 THR 34 -3.923 3.791 9.788 228 HG23 THR 34 2HG2 THR 34 -4.947 2.424 9.348 229 H HIS 35 H HIS 35 -4.963 5.632 6.605 230 HA HIS 35 HA HIS 35 -2.871 7.151 8.019 231 HB2 HIS 35 1HB HIS 35 -2.767 5.336 5.660 232 HB3 HIS 35 2HB HIS 35 -1.693 6.732 5.663 233 HD1 HIS 35 HD1 HIS 35 -0.309 6.902 8.117 234 HD2 HIS 35 HD2 HIS 35 -1.611 3.185 6.795 235 HE1 HIS 35 HE1 HIS 35 1.090 5.219 9.356 236 H SER 36 H SER 36 -5.312 8.347 7.444 237 HA SER 36 HA SER 36 -6.353 9.997 6.216 238 HB2 SER 36 1HB SER 36 -4.671 11.149 7.673 239 HB3 SER 36 2HB SER 36 -3.554 11.147 6.308 240 HG SER 36 HG SER 36 -5.258 12.304 5.151 241 H GLY 37 H GLY 37 -5.684 7.939 4.496 242 HA2 GLY 37 1HA GLY 37 -4.606 9.326 2.126 243 HA3 GLY 37 2HA GLY 37 -4.608 7.583 2.353 244 H GLN 38 H GLN 38 -5.536 8.377 0.017 245 HA GLN 38 HA GLN 38 -8.375 8.870 0.076 246 HB2 GLN 38 1HB GLN 38 -6.722 9.674 -1.710 247 HB3 GLN 38 2HB GLN 38 -6.775 8.030 -2.333 248 HG2 GLN 38 1HG GLN 38 -9.308 9.548 -1.903 249 HG3 GLN 38 2HG GLN 38 -8.326 9.844 -3.336 250 HE21 GLN 38 1HE2 GLN 38 -10.605 9.043 -4.064 251 HE22 GLN 38 2HE2 GLN 38 -10.689 7.358 -4.435 252 H SER 39 H SER 39 -10.012 7.450 -0.405 253 HA SER 39 HA SER 39 -9.410 4.654 0.037 254 HB2 SER 39 1HB SER 39 -11.343 5.705 1.153 255 HB3 SER 39 2HB SER 39 -12.071 6.027 -0.420 256 HG SER 39 HG SER 39 -11.673 3.565 0.886 257 H GLY 40 H GLY 40 -8.363 3.960 -1.822 258 HA2 GLY 40 1HA GLY 40 -9.536 2.636 -3.772 259 HA3 GLY 40 2HA GLY 40 -9.743 4.270 -4.384 260 HA PRO 41 HA PRO 41 -5.686 2.528 -5.897 261 HB2 PRO 41 1HB PRO 41 -6.152 3.029 -8.524 262 HB3 PRO 41 2HB PRO 41 -6.651 1.531 -7.729 263 HG2 PRO 41 1HG PRO 41 -8.269 3.968 -8.366 264 HG3 PRO 41 2HG PRO 41 -8.702 2.258 -8.548 265 HD2 PRO 41 1HD PRO 41 -9.553 3.762 -6.463 266 HD3 PRO 41 2HD PRO 41 -9.227 2.023 -6.316 267 H SER 42 H SER 42 -4.125 3.712 -7.427 268 HA SER 42 HA SER 42 -4.511 6.573 -7.621 269 HB2 SER 42 1HB SER 42 -2.560 7.168 -6.280 270 HB3 SER 42 2HB SER 42 -3.718 6.278 -5.292 271 HG SER 42 HG SER 42 -1.427 5.163 -6.548 272 H SER 43 H SER 43 -3.059 7.580 -9.029 273 HA SER 43 HA SER 43 -1.725 5.748 -10.850 274 HB2 SER 43 1HB SER 43 -3.219 7.598 -11.668 275 HB3 SER 43 2HB SER 43 -2.012 8.750 -11.095 276 HG SER 43 HG SER 43 -1.914 6.983 -13.254 277 H GLY 44 H GLY 44 0.440 6.315 -11.708 278 HA2 GLY 44 1HA GLY 44 2.676 6.753 -11.415 279 HA3 GLY 44 2HA GLY 44 2.196 8.039 -10.318 Start of MODEL 19 1 H1 GLY 1 H GLY 1 8.490 -24.323 -17.602 2 HA2 GLY 1 1HA GLY 1 7.586 -26.545 -17.773 3 HA3 GLY 1 2HA GLY 1 8.916 -27.118 -16.777 4 H SER 2 H SER 2 8.942 -25.778 -14.562 5 HA SER 2 HA SER 2 6.194 -25.662 -13.529 6 HB2 SER 2 1HB SER 2 7.184 -27.876 -12.983 7 HB3 SER 2 2HB SER 2 8.491 -27.054 -12.131 8 HG SER 2 HG SER 2 7.041 -26.314 -10.632 9 H SER 3 H SER 3 5.941 -24.409 -11.595 10 HA SER 3 HA SER 3 8.075 -22.407 -11.261 11 HB2 SER 3 1HB SER 3 5.090 -22.109 -10.853 12 HB3 SER 3 2HB SER 3 6.285 -20.847 -10.553 13 HG SER 3 HG SER 3 5.174 -21.661 -12.899 14 H GLY 4 H GLY 4 9.160 -23.585 -9.640 15 HA2 GLY 4 1HA GLY 4 8.014 -23.209 -6.998 16 HA3 GLY 4 2HA GLY 4 8.317 -24.880 -7.449 17 H SER 5 H SER 5 9.631 -22.081 -6.114 18 HA SER 5 HA SER 5 12.339 -23.234 -6.274 19 HB2 SER 5 1HB SER 5 12.444 -21.223 -7.532 20 HB3 SER 5 2HB SER 5 11.476 -20.343 -6.350 21 HG SER 5 HG SER 5 13.751 -19.899 -6.225 22 H SER 6 H SER 6 13.406 -23.539 -4.400 23 HA SER 6 HA SER 6 11.947 -23.298 -1.946 24 HB2 SER 6 1HB SER 6 13.972 -24.296 -0.922 25 HB3 SER 6 2HB SER 6 13.410 -25.215 -2.317 26 HG SER 6 HG SER 6 15.592 -24.974 -2.555 27 H GLY 7 H GLY 7 11.631 -21.185 -1.385 28 HA2 GLY 7 1HA GLY 7 13.408 -19.818 0.154 29 HA3 GLY 7 2HA GLY 7 13.770 -19.258 -1.472 30 H THR 8 H THR 8 11.264 -19.455 0.993 31 HA THR 8 HA THR 8 9.768 -17.343 -0.408 32 HB THR 8 HB THR 8 8.489 -19.397 0.109 33 HG1 THR 8 HG1 THR 8 6.844 -18.160 1.454 34 HG21 THR 8 3HG2 THR 8 9.778 -19.853 2.251 35 HG22 THR 8 1HG2 THR 8 8.033 -20.097 2.323 36 HG23 THR 8 2HG2 THR 8 8.750 -18.640 3.012 37 H GLY 9 H GLY 9 9.980 -15.342 0.337 38 HA2 GLY 9 1HA GLY 9 9.690 -14.581 3.011 39 HA3 GLY 9 2HA GLY 9 11.412 -14.695 2.680 40 H GLU 10 H GLU 10 8.467 -13.327 1.205 41 HA GLU 10 HA GLU 10 9.968 -10.841 0.757 42 HB2 GLU 10 1HB GLU 10 9.648 -12.359 -1.324 43 HB3 GLU 10 2HB GLU 10 7.973 -11.829 -1.259 44 HG2 GLU 10 1HG GLU 10 8.569 -9.577 -1.630 45 HG3 GLU 10 2HG GLU 10 10.277 -9.907 -1.347 46 H ASN 11 H ASN 11 8.843 -8.967 1.074 47 HA ASN 11 HA ASN 11 6.110 -9.274 2.119 48 HB2 ASN 11 1HB ASN 11 7.725 -6.807 2.604 49 HB3 ASN 11 2HB ASN 11 6.516 -7.574 3.629 50 HD21 ASN 11 1HD2 ASN 11 7.107 -9.400 4.854 51 HD22 ASN 11 2HD2 ASN 11 8.760 -9.715 5.245 52 HA PRO 12 HA PRO 12 5.550 -7.039 -1.877 53 HB2 PRO 12 1HB PRO 12 3.201 -8.262 -2.477 54 HB3 PRO 12 2HB PRO 12 4.776 -8.962 -2.870 55 HG2 PRO 12 1HG PRO 12 2.953 -9.569 -0.574 56 HG3 PRO 12 2HG PRO 12 3.871 -10.687 -1.600 57 HD2 PRO 12 1HD PRO 12 4.704 -9.959 0.872 58 HD3 PRO 12 2HD PRO 12 5.834 -10.332 -0.445 59 H TYR 13 H TYR 13 4.117 -7.076 1.131 60 HA TYR 13 HA TYR 13 2.338 -4.853 0.387 61 HB2 TYR 13 1HB TYR 13 1.675 -6.755 2.623 62 HB3 TYR 13 2HB TYR 13 0.617 -5.607 1.809 63 HD1 TYR 13 HD2 TYR 13 0.674 -6.102 -0.925 64 HD2 TYR 13 HD1 TYR 13 1.135 -8.949 2.203 65 HE1 TYR 13 HE2 TYR 13 -0.098 -7.881 -2.438 66 HE2 TYR 13 HE1 TYR 13 0.365 -10.736 0.698 67 HH TYR 13 HH TYR 13 -1.264 -10.261 -2.037 68 H GLU 14 H GLU 14 4.261 -3.596 0.976 69 HA GLU 14 HA GLU 14 4.531 -3.314 3.897 70 HB2 GLU 14 1HB GLU 14 6.588 -4.097 2.694 71 HB3 GLU 14 2HB GLU 14 6.594 -2.573 1.818 72 HG2 GLU 14 1HG GLU 14 6.671 -1.442 4.089 73 HG3 GLU 14 2HG GLU 14 7.035 -3.036 4.748 74 H CYS 15 H CYS 15 3.196 -1.681 4.415 75 HA CYS 15 HA CYS 15 2.368 0.434 2.863 76 HB2 CYS 15 1HB CYS 15 1.441 -0.187 5.095 77 HB3 CYS 15 2HB CYS 15 2.855 0.545 5.846 78 H CYS 16 H CYS 16 3.460 1.988 1.880 79 HA CYS 16 HA CYS 16 6.150 2.659 2.680 80 HB2 CYS 16 1HB CYS 16 5.071 2.526 0.267 81 HB3 CYS 16 2HB CYS 16 4.672 4.209 0.597 82 H GLU 17 H GLU 17 2.961 3.996 3.025 83 HA GLU 17 HA GLU 17 3.461 6.667 3.486 84 HB2 GLU 17 1HB GLU 17 1.488 4.843 4.867 85 HB3 GLU 17 2HB GLU 17 1.472 6.595 5.008 86 HG2 GLU 17 1HG GLU 17 0.694 6.903 2.891 87 HG3 GLU 17 2HG GLU 17 1.428 5.419 2.286 88 H CYS 18 H CYS 18 3.360 4.102 5.966 89 HA CYS 18 HA CYS 18 4.918 5.858 7.736 90 HB2 CYS 18 1HB CYS 18 4.127 4.433 9.574 91 HB3 CYS 18 2HB CYS 18 2.780 5.102 8.659 92 H GLY 19 H GLY 19 4.710 2.511 6.565 93 HA2 GLY 19 1HA GLY 19 6.894 1.584 5.798 94 HA3 GLY 19 2HA GLY 19 7.553 2.188 7.311 95 H LYS 20 H LYS 20 4.406 0.671 7.036 96 HA LYS 20 HA LYS 20 5.301 -1.411 8.877 97 HB2 LYS 20 1HB LYS 20 3.107 0.068 9.015 98 HB3 LYS 20 2HB LYS 20 2.469 -1.187 7.961 99 HG2 LYS 20 1HG LYS 20 2.660 -2.828 9.577 100 HG3 LYS 20 2HG LYS 20 3.869 -1.926 10.495 101 HD2 LYS 20 1HD LYS 20 1.159 -0.736 10.186 102 HD3 LYS 20 2HD LYS 20 1.352 -2.094 11.298 103 HE2 LYS 20 1HE LYS 20 1.673 -0.171 12.610 104 HE3 LYS 20 2HE LYS 20 3.293 -0.795 12.301 105 HZ1 LYS 20 3HZ LYS 20 3.794 0.931 10.913 106 HZ2 LYS 20 1HZ LYS 20 2.755 1.723 11.989 107 HZ3 LYS 20 2HZ LYS 20 2.185 1.219 10.478 108 H VAL 21 H VAL 21 4.486 -3.644 8.533 109 HA VAL 21 HA VAL 21 4.343 -4.337 5.674 110 HB VAL 21 HB VAL 21 5.805 -5.989 7.732 111 HG11 VAL 21 1HG1 VAL 21 5.299 -6.193 4.808 112 HG12 VAL 21 2HG1 VAL 21 6.839 -6.781 5.438 113 HG13 VAL 21 3HG1 VAL 21 5.323 -7.452 6.041 114 HG21 VAL 21 3HG2 VAL 21 7.479 -4.735 5.729 115 HG22 VAL 21 1HG2 VAL 21 6.648 -3.543 6.729 116 HG23 VAL 21 2HG2 VAL 21 7.659 -4.776 7.483 117 H PHE 22 H PHE 22 3.285 -6.353 5.195 118 HA PHE 22 HA PHE 22 1.711 -7.558 7.332 119 HB2 PHE 22 1HB PHE 22 0.432 -6.398 4.847 120 HB3 PHE 22 2HB PHE 22 -0.397 -7.311 6.104 121 HD1 PHE 22 HD2 PHE 22 1.373 -4.157 5.373 122 HD2 PHE 22 HD1 PHE 22 -1.123 -6.274 8.094 123 HE1 PHE 22 HE2 PHE 22 0.945 -2.068 6.600 124 HE2 PHE 22 HE1 PHE 22 -1.556 -4.188 9.325 125 HZ PHE 22 HZ PHE 22 -0.521 -2.082 8.579 126 H SER 23 H SER 23 0.540 -9.516 6.569 127 HA SER 23 HA SER 23 2.255 -10.995 4.739 128 HB2 SER 23 1HB SER 23 1.169 -12.985 5.606 129 HB3 SER 23 2HB SER 23 1.637 -11.953 6.957 130 HG SER 23 HG SER 23 -0.633 -11.119 6.714 131 H ARG 24 H ARG 24 -1.048 -9.847 4.998 132 HA ARG 24 HA ARG 24 -1.499 -10.717 2.222 133 HB2 ARG 24 1HB ARG 24 -3.558 -10.687 4.436 134 HB3 ARG 24 2HB ARG 24 -3.851 -11.131 2.760 135 HG2 ARG 24 1HG ARG 24 -2.684 -13.130 2.953 136 HG3 ARG 24 2HG ARG 24 -1.827 -12.599 4.402 137 HD2 ARG 24 1HD ARG 24 -4.799 -12.817 4.477 138 HD3 ARG 24 2HD ARG 24 -3.835 -14.291 4.552 139 HE ARG 24 HE ARG 24 -3.001 -12.267 6.415 140 HH11 ARG 24 1HH1 ARG 24 -5.163 -14.940 5.863 141 HH12 ARG 24 2HH1 ARG 24 -5.375 -15.285 7.548 142 HH21 ARG 24 1HH2 ARG 24 -3.272 -12.712 8.635 143 HH22 ARG 24 2HH2 ARG 24 -4.300 -14.016 9.124 144 H LYS 25 H LYS 25 -2.067 -9.140 0.871 145 HA LYS 25 HA LYS 25 -1.915 -6.495 1.287 146 HB2 LYS 25 1HB LYS 25 -2.342 -7.624 -0.909 147 HB3 LYS 25 2HB LYS 25 -4.044 -7.719 -0.475 148 HG2 LYS 25 1HG LYS 25 -4.035 -5.825 -1.750 149 HG3 LYS 25 2HG LYS 25 -3.787 -5.132 -0.145 150 HD2 LYS 25 1HD LYS 25 -1.564 -4.663 -0.547 151 HD3 LYS 25 2HD LYS 25 -1.417 -5.912 -1.786 152 HE2 LYS 25 1HE LYS 25 -3.249 -3.618 -2.283 153 HE3 LYS 25 2HE LYS 25 -1.511 -3.350 -2.412 154 HZ1 LYS 25 3HZ LYS 25 -3.168 -5.254 -3.964 155 HZ2 LYS 25 1HZ LYS 25 -1.477 -5.310 -3.950 156 HZ3 LYS 25 2HZ LYS 25 -2.272 -3.943 -4.548 157 H ASP 26 H ASP 26 -4.853 -8.420 1.783 158 HA ASP 26 HA ASP 26 -6.714 -6.523 2.353 159 HB2 ASP 26 1HB ASP 26 -6.244 -9.121 3.829 160 HB3 ASP 26 2HB ASP 26 -7.710 -8.154 3.962 161 H GLN 27 H GLN 27 -4.502 -7.931 4.772 162 HA GLN 27 HA GLN 27 -5.234 -6.351 6.928 163 HB2 GLN 27 1HB GLN 27 -2.466 -7.394 6.301 164 HB3 GLN 27 2HB GLN 27 -3.046 -6.888 7.883 165 HG2 GLN 27 1HG GLN 27 -4.873 -8.710 7.463 166 HG3 GLN 27 2HG GLN 27 -3.685 -9.341 6.323 167 HE21 GLN 27 1HE2 GLN 27 -4.243 -11.018 8.214 168 HE22 GLN 27 2HE2 GLN 27 -3.030 -11.077 9.443 169 H LEU 28 H LEU 28 -3.120 -5.625 4.234 170 HA LEU 28 HA LEU 28 -1.978 -3.267 5.339 171 HB2 LEU 28 1HB LEU 28 -0.990 -4.561 3.476 172 HB3 LEU 28 2HB LEU 28 -2.313 -4.029 2.441 173 HG LEU 28 HG LEU 28 -1.402 -1.637 3.176 174 HD11 LEU 28 1HD1 LEU 28 0.341 -2.334 4.625 175 HD12 LEU 28 2HD1 LEU 28 1.107 -1.759 3.145 176 HD13 LEU 28 3HD1 LEU 28 0.954 -3.490 3.442 177 HD21 LEU 28 3HD2 LEU 28 -1.035 -3.406 0.929 178 HD22 LEU 28 1HD2 LEU 28 0.355 -2.339 1.129 179 HD23 LEU 28 2HD2 LEU 28 -1.263 -1.656 0.959 180 H VAL 29 H VAL 29 -4.659 -3.842 3.079 181 HA VAL 29 HA VAL 29 -5.339 -1.210 2.527 182 HB VAL 29 HB VAL 29 -7.217 -3.560 2.819 183 HG11 VAL 29 1HG1 VAL 29 -8.139 -1.137 2.772 184 HG12 VAL 29 2HG1 VAL 29 -7.695 -1.184 1.065 185 HG13 VAL 29 3HG1 VAL 29 -8.851 -2.350 1.710 186 HG21 VAL 29 3HG2 VAL 29 -6.346 -2.589 0.167 187 HG22 VAL 29 1HG2 VAL 29 -5.141 -3.446 1.128 188 HG23 VAL 29 2HG2 VAL 29 -6.668 -4.230 0.726 189 H SER 30 H SER 30 -6.612 -3.310 5.108 190 HA SER 30 HA SER 30 -8.354 -1.476 6.269 191 HB2 SER 30 1HB SER 30 -6.915 -3.903 7.254 192 HB3 SER 30 2HB SER 30 -7.730 -2.873 8.431 193 HG SER 30 HG SER 30 -8.827 -4.329 6.283 194 H HIS 31 H HIS 31 -4.891 -1.883 6.655 195 HA HIS 31 HA HIS 31 -4.648 -0.105 8.879 196 HB2 HIS 31 1HB HIS 31 -2.872 -1.597 8.750 197 HB3 HIS 31 2HB HIS 31 -2.728 -1.433 7.002 198 HD1 HIS 31 HD1 HIS 31 -1.959 0.489 10.172 199 HD2 HIS 31 HD2 HIS 31 -0.852 0.370 6.169 200 HE1 HIS 31 HE1 HIS 31 -0.017 2.073 9.965 201 H GLN 32 H GLN 32 -3.572 0.222 5.491 202 HA GLN 32 HA GLN 32 -2.724 2.753 5.362 203 HB2 GLN 32 1HB GLN 32 -4.621 1.426 3.422 204 HB3 GLN 32 2HB GLN 32 -3.753 2.917 3.081 205 HG2 GLN 32 1HG GLN 32 -1.626 1.720 3.386 206 HG3 GLN 32 2HG GLN 32 -2.527 0.228 3.647 207 HE21 GLN 32 1HE2 GLN 32 -0.613 0.552 1.643 208 HE22 GLN 32 2HE2 GLN 32 -1.401 0.456 0.108 209 H LYS 33 H LYS 33 -6.142 1.822 5.453 210 HA LYS 33 HA LYS 33 -7.473 4.124 5.040 211 HB2 LYS 33 1HB LYS 33 -8.037 2.359 7.426 212 HB3 LYS 33 2HB LYS 33 -9.187 3.368 6.558 213 HG2 LYS 33 1HG LYS 33 -8.439 1.862 4.524 214 HG3 LYS 33 2HG LYS 33 -8.033 0.735 5.821 215 HD2 LYS 33 1HD LYS 33 -10.218 0.153 5.392 216 HD3 LYS 33 2HD LYS 33 -10.430 1.334 6.686 217 HE2 LYS 33 1HE LYS 33 -10.515 2.099 3.781 218 HE3 LYS 33 2HE LYS 33 -11.947 1.552 4.651 219 HZ1 LYS 33 3HZ LYS 33 -11.207 3.389 6.324 220 HZ2 LYS 33 1HZ LYS 33 -12.084 3.801 4.937 221 HZ3 LYS 33 2HZ LYS 33 -10.409 4.029 4.977 222 H THR 34 H THR 34 -5.933 3.253 8.127 223 HA THR 34 HA THR 34 -6.585 5.331 9.731 224 HB THR 34 HB THR 34 -4.358 5.155 10.790 225 HG1 THR 34 HG1 THR 34 -3.804 3.658 8.442 226 HG21 THR 34 3HG2 THR 34 -4.749 2.329 10.350 227 HG22 THR 34 1HG2 THR 34 -6.295 3.155 10.532 228 HG23 THR 34 2HG2 THR 34 -5.068 3.292 11.792 229 H HIS 35 H HIS 35 -4.020 5.389 7.271 230 HA HIS 35 HA HIS 35 -3.284 8.093 7.756 231 HB2 HIS 35 1HB HIS 35 -2.842 6.506 5.222 232 HB3 HIS 35 2HB HIS 35 -1.926 7.906 5.774 233 HD1 HIS 35 HD1 HIS 35 -0.977 7.295 8.455 234 HD2 HIS 35 HD2 HIS 35 -1.351 4.299 5.601 235 HE1 HIS 35 HE1 HIS 35 0.541 5.442 9.221 236 H SER 36 H SER 36 -3.346 9.701 5.843 237 HA SER 36 HA SER 36 -5.954 10.553 5.463 238 HB2 SER 36 1HB SER 36 -5.055 12.101 3.792 239 HB3 SER 36 2HB SER 36 -3.974 12.002 5.181 240 HG SER 36 HG SER 36 -2.986 10.223 3.730 241 H GLY 37 H GLY 37 -7.044 10.883 3.303 242 HA2 GLY 37 1HA GLY 37 -7.619 10.103 1.149 243 HA3 GLY 37 2HA GLY 37 -6.585 8.705 1.405 244 H GLN 38 H GLN 38 -9.556 10.180 2.706 245 HA GLN 38 HA GLN 38 -10.541 7.660 3.660 246 HB2 GLN 38 1HB GLN 38 -11.131 9.732 4.804 247 HB3 GLN 38 2HB GLN 38 -11.915 10.335 3.349 248 HG2 GLN 38 1HG GLN 38 -12.795 7.825 4.739 249 HG3 GLN 38 2HG GLN 38 -13.421 9.419 5.157 250 HE21 GLN 38 1HE2 GLN 38 -14.533 10.614 3.507 251 HE22 GLN 38 2HE2 GLN 38 -15.365 9.774 2.248 252 H SER 39 H SER 39 -11.474 9.865 1.026 253 HA SER 39 HA SER 39 -13.608 8.570 -0.052 254 HB2 SER 39 1HB SER 39 -12.396 10.696 -0.872 255 HB3 SER 39 2HB SER 39 -11.415 9.599 -1.844 256 HG SER 39 HG SER 39 -13.699 8.781 -2.438 257 H GLY 40 H GLY 40 -13.921 6.994 -1.685 258 HA2 GLY 40 1HA GLY 40 -11.974 5.467 -2.937 259 HA3 GLY 40 2HA GLY 40 -12.283 4.690 -1.391 260 HA PRO 41 HA PRO 41 -15.331 3.215 -4.647 261 HB2 PRO 41 1HB PRO 41 -14.655 0.589 -4.512 262 HB3 PRO 41 2HB PRO 41 -13.865 1.729 -5.607 263 HG2 PRO 41 1HG PRO 41 -12.946 0.713 -2.945 264 HG3 PRO 41 2HG PRO 41 -12.016 0.943 -4.437 265 HD2 PRO 41 1HD PRO 41 -11.947 2.714 -2.390 266 HD3 PRO 41 2HD PRO 41 -11.773 3.208 -4.086 267 H SER 42 H SER 42 -14.467 2.442 -1.397 268 HA SER 42 HA SER 42 -16.627 0.679 -0.820 269 HB2 SER 42 1HB SER 42 -15.936 0.811 1.443 270 HB3 SER 42 2HB SER 42 -14.452 0.959 0.502 271 HG SER 42 HG SER 42 -14.166 2.791 1.464 272 H SER 43 H SER 43 -18.234 1.278 0.966 273 HA SER 43 HA SER 43 -19.813 3.466 0.002 274 HB2 SER 43 1HB SER 43 -20.255 1.721 2.437 275 HB3 SER 43 2HB SER 43 -21.455 2.756 1.662 276 HG SER 43 HG SER 43 -21.870 0.925 0.664 277 H GLY 44 H GLY 44 -20.945 4.803 1.904 278 HA2 GLY 44 1HA GLY 44 -19.120 5.640 3.980 279 HA3 GLY 44 2HA GLY 44 -19.306 6.813 2.684 Start of MODEL 20 1 H1 GLY 1 H GLY 1 29.371 4.536 4.298 2 HA2 GLY 1 1HA GLY 1 28.851 6.052 6.782 3 HA3 GLY 1 2HA GLY 1 27.700 5.928 5.460 4 H SER 2 H SER 2 26.690 5.313 7.803 5 HA SER 2 HA SER 2 26.825 2.385 8.054 6 HB2 SER 2 1HB SER 2 27.264 3.928 10.070 7 HB3 SER 2 2HB SER 2 25.528 4.235 10.048 8 HG SER 2 HG SER 2 26.351 1.577 9.955 9 H SER 3 H SER 3 24.823 1.224 8.411 10 HA SER 3 HA SER 3 22.783 2.055 6.584 11 HB2 SER 3 1HB SER 3 23.030 -0.320 8.435 12 HB3 SER 3 2HB SER 3 21.643 -0.069 7.375 13 HG SER 3 HG SER 3 23.060 -1.328 6.252 14 H GLY 4 H GLY 4 20.397 1.668 7.379 15 HA2 GLY 4 1HA GLY 4 20.052 3.410 9.732 16 HA3 GLY 4 2HA GLY 4 18.909 3.271 8.404 17 H SER 5 H SER 5 17.118 2.235 8.935 18 HA SER 5 HA SER 5 17.138 0.397 11.200 19 HB2 SER 5 1HB SER 5 15.408 2.174 11.074 20 HB3 SER 5 2HB SER 5 14.795 1.443 9.591 21 HG SER 5 HG SER 5 14.119 0.840 12.045 22 H SER 6 H SER 6 17.295 -1.718 10.923 23 HA SER 6 HA SER 6 16.882 -2.855 8.269 24 HB2 SER 6 1HB SER 6 18.167 -3.898 10.791 25 HB3 SER 6 2HB SER 6 17.845 -4.939 9.405 26 HG SER 6 HG SER 6 19.067 -3.301 8.174 27 H GLY 7 H GLY 7 15.117 -3.955 7.721 28 HA2 GLY 7 1HA GLY 7 13.196 -4.629 9.840 29 HA3 GLY 7 2HA GLY 7 12.814 -4.432 8.136 30 H THR 8 H THR 8 11.748 -6.575 9.183 31 HA THR 8 HA THR 8 13.363 -8.762 8.088 32 HB THR 8 HB THR 8 11.858 -9.020 10.696 33 HG1 THR 8 HG1 THR 8 14.234 -9.325 11.362 34 HG21 THR 8 3HG2 THR 8 12.615 -10.960 8.889 35 HG22 THR 8 1HG2 THR 8 12.274 -11.220 10.599 36 HG23 THR 8 2HG2 THR 8 13.934 -10.965 10.060 37 H GLY 9 H GLY 9 12.211 -9.604 6.483 38 HA2 GLY 9 1HA GLY 9 10.303 -11.033 5.940 39 HA3 GLY 9 2HA GLY 9 9.305 -9.944 6.892 40 H GLU 10 H GLU 10 10.435 -10.707 3.804 41 HA GLU 10 HA GLU 10 9.704 -8.071 2.737 42 HB2 GLU 10 1HB GLU 10 11.901 -9.392 2.155 43 HB3 GLU 10 2HB GLU 10 10.847 -10.262 1.050 44 HG2 GLU 10 1HG GLU 10 10.556 -8.467 -0.316 45 HG3 GLU 10 2HG GLU 10 10.771 -7.299 0.987 46 H ASN 11 H ASN 11 7.483 -8.155 2.731 47 HA ASN 11 HA ASN 11 6.207 -10.363 1.279 48 HB2 ASN 11 1HB ASN 11 5.216 -8.364 3.289 49 HB3 ASN 11 2HB ASN 11 4.082 -9.189 2.224 50 HD21 ASN 11 1HD2 ASN 11 4.850 -9.267 5.203 51 HD22 ASN 11 2HD2 ASN 11 4.938 -10.959 5.539 52 HA PRO 12 HA PRO 12 5.231 -7.913 -2.228 53 HB2 PRO 12 1HB PRO 12 2.768 -8.846 -2.888 54 HB3 PRO 12 2HB PRO 12 4.247 -9.785 -3.127 55 HG2 PRO 12 1HG PRO 12 2.235 -9.949 -0.916 56 HG3 PRO 12 2HG PRO 12 3.040 -11.261 -1.796 57 HD2 PRO 12 1HD PRO 12 3.832 -10.458 0.665 58 HD3 PRO 12 2HD PRO 12 4.968 -11.087 -0.546 59 H TYR 13 H TYR 13 3.772 -7.417 0.681 60 HA TYR 13 HA TYR 13 2.378 -5.040 -0.322 61 HB2 TYR 13 1HB TYR 13 1.232 -6.852 1.809 62 HB3 TYR 13 2HB TYR 13 0.481 -5.412 1.130 63 HD1 TYR 13 HD2 TYR 13 -0.266 -5.442 -1.267 64 HD2 TYR 13 HD1 TYR 13 1.010 -8.961 0.756 65 HE1 TYR 13 HE2 TYR 13 -1.368 -6.819 -2.980 66 HE2 TYR 13 HE1 TYR 13 -0.088 -10.348 -0.952 67 HH TYR 13 HH TYR 13 -2.361 -9.403 -2.906 68 H GLU 14 H GLU 14 3.633 -3.470 0.477 69 HA GLU 14 HA GLU 14 4.086 -3.437 3.378 70 HB2 GLU 14 1HB GLU 14 6.198 -4.107 2.473 71 HB3 GLU 14 2HB GLU 14 6.122 -2.871 1.225 72 HG2 GLU 14 1HG GLU 14 6.066 -1.998 4.060 73 HG3 GLU 14 2HG GLU 14 7.591 -2.579 3.393 74 H CYS 15 H CYS 15 3.836 -1.481 4.355 75 HA CYS 15 HA CYS 15 2.640 0.621 2.746 76 HB2 CYS 15 1HB CYS 15 1.430 0.207 4.721 77 HB3 CYS 15 2HB CYS 15 2.890 0.126 5.703 78 H CYS 16 H CYS 16 3.761 2.267 1.964 79 HA CYS 16 HA CYS 16 6.455 2.776 2.939 80 HB2 CYS 16 1HB CYS 16 5.691 2.657 0.451 81 HB3 CYS 16 2HB CYS 16 5.132 4.305 0.719 82 H GLU 17 H GLU 17 3.287 4.111 3.161 83 HA GLU 17 HA GLU 17 3.737 6.793 3.606 84 HB2 GLU 17 1HB GLU 17 1.734 4.866 4.736 85 HB3 GLU 17 2HB GLU 17 1.759 6.538 5.277 86 HG2 GLU 17 1HG GLU 17 0.155 6.434 3.568 87 HG3 GLU 17 2HG GLU 17 1.572 7.202 2.854 88 H CYS 18 H CYS 18 4.114 4.096 5.855 89 HA CYS 18 HA CYS 18 5.647 5.875 7.618 90 HB2 CYS 18 1HB CYS 18 4.644 4.883 9.595 91 HB3 CYS 18 2HB CYS 18 3.382 5.561 8.571 92 H GLY 19 H GLY 19 4.826 2.512 6.818 93 HA2 GLY 19 1HA GLY 19 6.854 1.185 6.138 94 HA3 GLY 19 2HA GLY 19 7.560 1.754 7.643 95 H LYS 20 H LYS 20 4.641 0.073 6.479 96 HA LYS 20 HA LYS 20 4.984 -1.843 8.681 97 HB2 LYS 20 1HB LYS 20 2.492 -0.341 7.917 98 HB3 LYS 20 2HB LYS 20 2.402 -1.892 8.741 99 HG2 LYS 20 1HG LYS 20 4.143 0.208 9.912 100 HG3 LYS 20 2HG LYS 20 2.394 0.391 10.060 101 HD2 LYS 20 1HD LYS 20 3.084 -0.766 11.999 102 HD3 LYS 20 2HD LYS 20 2.364 -1.986 10.947 103 HE2 LYS 20 1HE LYS 20 4.468 -2.846 10.333 104 HE3 LYS 20 2HE LYS 20 5.318 -1.437 10.966 105 HZ1 LYS 20 3HZ LYS 20 3.735 -2.933 12.888 106 HZ2 LYS 20 1HZ LYS 20 5.268 -2.236 13.054 107 HZ3 LYS 20 2HZ LYS 20 5.099 -3.732 12.284 108 H VAL 21 H VAL 21 5.335 -3.762 7.793 109 HA VAL 21 HA VAL 21 4.394 -4.368 5.122 110 HB VAL 21 HB VAL 21 5.896 -6.168 7.026 111 HG11 VAL 21 1HG1 VAL 21 5.600 -6.258 4.025 112 HG12 VAL 21 2HG1 VAL 21 6.531 -7.384 5.016 113 HG13 VAL 21 3HG1 VAL 21 4.775 -7.315 5.170 114 HG21 VAL 21 3HG2 VAL 21 7.333 -4.872 4.807 115 HG22 VAL 21 1HG2 VAL 21 6.847 -3.805 6.125 116 HG23 VAL 21 2HG2 VAL 21 7.858 -5.213 6.456 117 H PHE 22 H PHE 22 3.158 -6.257 4.599 118 HA PHE 22 HA PHE 22 1.626 -7.466 6.771 119 HB2 PHE 22 1HB PHE 22 0.350 -6.073 4.408 120 HB3 PHE 22 2HB PHE 22 -0.511 -7.066 5.580 121 HD1 PHE 22 HD2 PHE 22 1.465 -3.965 5.186 122 HD2 PHE 22 HD1 PHE 22 -1.237 -6.173 7.623 123 HE1 PHE 22 HE2 PHE 22 1.145 -1.989 6.616 124 HE2 PHE 22 HE1 PHE 22 -1.562 -4.200 9.057 125 HZ PHE 22 HZ PHE 22 -0.369 -2.105 8.555 126 H SER 23 H SER 23 0.992 -9.541 6.377 127 HA SER 23 HA SER 23 2.305 -10.955 4.303 128 HB2 SER 23 1HB SER 23 1.621 -11.839 6.603 129 HB3 SER 23 2HB SER 23 -0.001 -12.018 5.936 130 HG SER 23 HG SER 23 1.576 -13.873 5.821 131 H ARG 24 H ARG 24 -1.068 -9.998 4.811 132 HA ARG 24 HA ARG 24 -1.587 -10.649 1.984 133 HB2 ARG 24 1HB ARG 24 -3.535 -10.836 4.289 134 HB3 ARG 24 2HB ARG 24 -3.907 -11.161 2.601 135 HG2 ARG 24 1HG ARG 24 -2.786 -13.161 2.594 136 HG3 ARG 24 2HG ARG 24 -1.716 -12.688 3.915 137 HD2 ARG 24 1HD ARG 24 -3.380 -13.048 5.534 138 HD3 ARG 24 2HD ARG 24 -4.664 -13.079 4.326 139 HE ARG 24 HE ARG 24 -2.992 -15.268 5.132 140 HH11 ARG 24 1HH1 ARG 24 -4.939 -13.961 2.559 141 HH12 ARG 24 2HH1 ARG 24 -5.250 -15.504 1.835 142 HH21 ARG 24 1HH2 ARG 24 -3.395 -17.305 4.188 143 HH22 ARG 24 2HH2 ARG 24 -4.372 -17.405 2.763 144 H LYS 25 H LYS 25 -2.384 -9.057 0.752 145 HA LYS 25 HA LYS 25 -2.256 -6.422 1.301 146 HB2 LYS 25 1HB LYS 25 -2.849 -7.554 -0.907 147 HB3 LYS 25 2HB LYS 25 -4.519 -7.528 -0.357 148 HG2 LYS 25 1HG LYS 25 -4.518 -5.132 -0.277 149 HG3 LYS 25 2HG LYS 25 -2.791 -5.079 -0.635 150 HD2 LYS 25 1HD LYS 25 -3.138 -5.895 -2.841 151 HD3 LYS 25 2HD LYS 25 -4.819 -6.306 -2.494 152 HE2 LYS 25 1HE LYS 25 -5.058 -3.768 -1.990 153 HE3 LYS 25 2HE LYS 25 -3.572 -3.621 -2.927 154 HZ1 LYS 25 3HZ LYS 25 -5.602 -5.248 -4.172 155 HZ2 LYS 25 1HZ LYS 25 -4.647 -4.016 -4.830 156 HZ3 LYS 25 2HZ LYS 25 -6.051 -3.630 -3.970 157 H ASP 26 H ASP 26 -5.123 -8.449 1.835 158 HA ASP 26 HA ASP 26 -6.994 -6.668 2.637 159 HB2 ASP 26 1HB ASP 26 -6.307 -9.409 3.616 160 HB3 ASP 26 2HB ASP 26 -7.550 -8.491 4.462 161 H GLN 27 H GLN 27 -4.491 -8.025 4.780 162 HA GLN 27 HA GLN 27 -5.168 -6.551 7.059 163 HB2 GLN 27 1HB GLN 27 -2.407 -7.500 6.281 164 HB3 GLN 27 2HB GLN 27 -2.974 -7.132 7.905 165 HG2 GLN 27 1HG GLN 27 -4.722 -8.979 7.462 166 HG3 GLN 27 2HG GLN 27 -3.637 -9.464 6.159 167 HE21 GLN 27 1HE2 GLN 27 -1.243 -9.480 6.950 168 HE22 GLN 27 2HE2 GLN 27 -0.979 -10.342 8.423 169 H LEU 28 H LEU 28 -3.253 -5.721 4.256 170 HA LEU 28 HA LEU 28 -2.060 -3.383 5.369 171 HB2 LEU 28 1HB LEU 28 -1.117 -4.584 3.448 172 HB3 LEU 28 2HB LEU 28 -2.522 -4.133 2.485 173 HG LEU 28 HG LEU 28 -1.705 -1.689 3.160 174 HD11 LEU 28 1HD1 LEU 28 0.161 -2.160 4.478 175 HD12 LEU 28 2HD1 LEU 28 0.843 -1.762 2.902 176 HD13 LEU 28 3HD1 LEU 28 0.712 -3.447 3.406 177 HD21 LEU 28 3HD2 LEU 28 -2.021 -2.726 0.886 178 HD22 LEU 28 1HD2 LEU 28 -0.333 -3.231 0.969 179 HD23 LEU 28 2HD2 LEU 28 -0.742 -1.515 1.000 180 H VAL 29 H VAL 29 -4.858 -3.946 3.256 181 HA VAL 29 HA VAL 29 -5.609 -1.349 2.726 182 HB VAL 29 HB VAL 29 -7.438 -3.690 3.282 183 HG11 VAL 29 1HG1 VAL 29 -8.137 -1.364 1.539 184 HG12 VAL 29 2HG1 VAL 29 -9.198 -2.512 2.356 185 HG13 VAL 29 3HG1 VAL 29 -8.368 -1.261 3.284 186 HG21 VAL 29 3HG2 VAL 29 -6.301 -2.649 0.687 187 HG22 VAL 29 1HG2 VAL 29 -5.816 -4.131 1.509 188 HG23 VAL 29 2HG2 VAL 29 -7.446 -3.980 0.854 189 H SER 30 H SER 30 -6.722 -3.352 5.460 190 HA SER 30 HA SER 30 -8.272 -1.417 6.724 191 HB2 SER 30 1HB SER 30 -8.409 -3.730 7.404 192 HB3 SER 30 2HB SER 30 -6.718 -3.730 7.904 193 HG SER 30 HG SER 30 -8.929 -2.894 9.256 194 H HIS 31 H HIS 31 -4.820 -1.891 6.703 195 HA HIS 31 HA HIS 31 -4.267 -0.188 8.934 196 HB2 HIS 31 1HB HIS 31 -2.590 -1.773 8.476 197 HB3 HIS 31 2HB HIS 31 -2.583 -1.400 6.755 198 HD1 HIS 31 HD1 HIS 31 -1.338 -0.104 10.054 199 HD2 HIS 31 HD2 HIS 31 -0.915 0.681 5.996 200 HE1 HIS 31 HE1 HIS 31 0.574 1.520 9.879 201 H GLN 32 H GLN 32 -3.887 0.205 5.411 202 HA GLN 32 HA GLN 32 -2.990 2.815 5.366 203 HB2 GLN 32 1HB GLN 32 -4.795 1.379 3.416 204 HB3 GLN 32 2HB GLN 32 -4.054 2.941 3.094 205 HG2 GLN 32 1HG GLN 32 -1.860 1.992 3.194 206 HG3 GLN 32 2HG GLN 32 -2.506 0.442 3.730 207 HE21 GLN 32 1HE2 GLN 32 -0.870 1.116 1.396 208 HE22 GLN 32 2HE2 GLN 32 -1.759 0.564 0.022 209 H LYS 33 H LYS 33 -6.026 1.653 6.359 210 HA LYS 33 HA LYS 33 -7.796 3.665 5.694 211 HB2 LYS 33 1HB LYS 33 -7.625 2.108 8.280 212 HB3 LYS 33 2HB LYS 33 -9.017 3.054 7.770 213 HG2 LYS 33 1HG LYS 33 -8.002 0.963 5.923 214 HG3 LYS 33 2HG LYS 33 -8.875 0.451 7.370 215 HD2 LYS 33 1HD LYS 33 -10.635 0.680 5.935 216 HD3 LYS 33 2HD LYS 33 -10.564 2.328 6.564 217 HE2 LYS 33 1HE LYS 33 -9.395 3.095 4.637 218 HE3 LYS 33 2HE LYS 33 -9.136 1.449 4.063 219 HZ1 LYS 33 3HZ LYS 33 -10.906 2.469 2.828 220 HZ2 LYS 33 1HZ LYS 33 -11.742 2.860 4.247 221 HZ3 LYS 33 2HZ LYS 33 -11.555 1.241 3.794 222 H THR 34 H THR 34 -5.451 3.565 8.336 223 HA THR 34 HA THR 34 -6.232 6.226 9.226 224 HB THR 34 HB THR 34 -5.674 4.438 10.881 225 HG1 THR 34 HG1 THR 34 -5.267 6.146 12.048 226 HG21 THR 34 3HG2 THR 34 -2.857 4.855 9.874 227 HG22 THR 34 1HG2 THR 34 -3.823 3.399 9.643 228 HG23 THR 34 2HG2 THR 34 -3.327 3.880 11.266 229 H HIS 35 H HIS 35 -5.074 5.918 6.583 230 HA HIS 35 HA HIS 35 -2.705 7.624 6.947 231 HB2 HIS 35 1HB HIS 35 -3.013 5.164 5.302 232 HB3 HIS 35 2HB HIS 35 -2.081 6.487 4.608 233 HD1 HIS 35 HD1 HIS 35 -0.096 7.387 6.319 234 HD2 HIS 35 HD2 HIS 35 -1.537 3.529 6.868 235 HE1 HIS 35 HE1 HIS 35 1.663 6.197 7.667 236 H SER 36 H SER 36 -4.182 9.395 6.686 237 HA SER 36 HA SER 36 -5.122 9.749 3.916 238 HB2 SER 36 1HB SER 36 -6.154 11.139 6.398 239 HB3 SER 36 2HB SER 36 -6.819 11.260 4.770 240 HG SER 36 HG SER 36 -8.014 9.644 5.376 241 H GLY 37 H GLY 37 -3.131 10.565 3.173 242 HA2 GLY 37 1HA GLY 37 -2.127 13.014 4.423 243 HA3 GLY 37 2HA GLY 37 -1.314 12.077 3.178 244 H GLN 38 H GLN 38 -0.962 14.205 2.200 245 HA GLN 38 HA GLN 38 -3.264 14.965 0.536 246 HB2 GLN 38 1HB GLN 38 -1.305 16.848 1.859 247 HB3 GLN 38 2HB GLN 38 -2.503 17.328 0.665 248 HG2 GLN 38 1HG GLN 38 -4.271 16.490 2.206 249 HG3 GLN 38 2HG GLN 38 -3.015 16.227 3.416 250 HE21 GLN 38 1HE2 GLN 38 -4.793 18.606 1.594 251 HE22 GLN 38 2HE2 GLN 38 -4.387 19.960 2.587 252 H SER 39 H SER 39 -2.709 15.920 -1.516 253 HA SER 39 HA SER 39 -0.350 14.692 -2.652 254 HB2 SER 39 1HB SER 39 -2.556 14.664 -3.821 255 HB3 SER 39 2HB SER 39 -2.437 16.413 -4.012 256 HG SER 39 HG SER 39 -1.059 14.378 -5.310 257 H GLY 40 H GLY 40 1.317 15.779 -3.741 258 HA2 GLY 40 1HA GLY 40 1.967 18.355 -2.593 259 HA3 GLY 40 2HA GLY 40 3.000 17.380 -3.627 260 HA PRO 41 HA PRO 41 1.677 21.016 -6.124 261 HB2 PRO 41 1HB PRO 41 4.094 21.350 -7.315 262 HB3 PRO 41 2HB PRO 41 3.695 22.045 -5.739 263 HG2 PRO 41 1HG PRO 41 5.234 19.558 -6.378 264 HG3 PRO 41 2HG PRO 41 5.582 20.811 -5.171 265 HD2 PRO 41 1HD PRO 41 4.438 18.443 -4.525 266 HD3 PRO 41 2HD PRO 41 4.074 19.948 -3.657 267 H SER 42 H SER 42 0.331 19.568 -7.329 268 HA SER 42 HA SER 42 1.458 17.799 -9.284 269 HB2 SER 42 1HB SER 42 -0.936 17.597 -10.052 270 HB3 SER 42 2HB SER 42 -0.674 17.207 -8.353 271 HG SER 42 HG SER 42 -2.428 18.842 -9.212 272 H SER 43 H SER 43 2.606 18.737 -10.872 273 HA SER 43 HA SER 43 1.260 20.202 -12.899 274 HB2 SER 43 1HB SER 43 1.694 21.976 -11.120 275 HB3 SER 43 2HB SER 43 3.410 21.773 -11.473 276 HG SER 43 HG SER 43 2.633 22.143 -13.767 277 H GLY 44 H GLY 44 2.348 20.109 -14.818 278 HA2 GLY 44 1HA GLY 44 5.176 19.704 -14.985 279 HA3 GLY 44 2HA GLY 44 4.288 18.212 -15.252
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