NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504657 | 2emk | 10205 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -7.679 -21.599 -12.906 2 HA2 GLY 1 1HA GLY 1 -6.034 -23.222 -11.170 3 HA3 GLY 1 2HA GLY 1 -5.536 -23.248 -12.856 4 H SER 2 H SER 2 -5.409 -21.562 -9.910 5 HA SER 2 HA SER 2 -4.225 -19.734 -9.244 6 HB2 SER 2 1HB SER 2 -2.486 -20.661 -10.803 7 HB3 SER 2 2HB SER 2 -3.144 -19.623 -12.068 8 HG SER 2 HG SER 2 -1.307 -18.950 -10.422 9 H SER 3 H SER 3 -6.863 -19.398 -10.057 10 HA SER 3 HA SER 3 -7.022 -17.061 -11.755 11 HB2 SER 3 1HB SER 3 -8.784 -18.816 -11.790 12 HB3 SER 3 2HB SER 3 -9.196 -18.400 -10.127 13 HG SER 3 HG SER 3 -10.570 -17.215 -11.328 14 H GLY 4 H GLY 4 -7.588 -17.830 -8.331 15 HA2 GLY 4 1HA GLY 4 -7.496 -16.496 -6.463 16 HA3 GLY 4 2HA GLY 4 -6.644 -15.312 -7.442 17 H SER 5 H SER 5 -7.643 -13.448 -6.947 18 HA SER 5 HA SER 5 -9.349 -11.969 -6.488 19 HB2 SER 5 1HB SER 5 -10.663 -11.488 -8.447 20 HB3 SER 5 2HB SER 5 -9.065 -12.001 -8.987 21 HG SER 5 HG SER 5 -9.990 -14.112 -9.294 22 H SER 6 H SER 6 -9.785 -14.269 -5.026 23 HA SER 6 HA SER 6 -12.718 -14.521 -5.154 24 HB2 SER 6 1HB SER 6 -10.715 -16.650 -4.368 25 HB3 SER 6 2HB SER 6 -12.466 -16.816 -4.238 26 HG SER 6 HG SER 6 -11.880 -17.715 -6.170 27 H GLY 7 H GLY 7 -13.536 -13.389 -3.518 28 HA2 GLY 7 1HA GLY 7 -12.025 -13.017 -1.066 29 HA3 GLY 7 2HA GLY 7 -13.562 -12.267 -1.471 30 H THR 8 H THR 8 -12.696 -15.704 -1.421 31 HA THR 8 HA THR 8 -14.967 -16.762 -0.435 32 HB THR 8 HB THR 8 -13.573 -18.521 0.706 33 HG1 THR 8 HG1 THR 8 -11.219 -18.187 0.018 34 HG21 THR 8 3HG2 THR 8 -13.051 -17.697 -2.136 35 HG22 THR 8 1HG2 THR 8 -14.111 -18.971 -1.534 36 HG23 THR 8 2HG2 THR 8 -12.360 -19.171 -1.459 37 H GLY 9 H GLY 9 -12.378 -15.347 1.548 38 HA2 GLY 9 1HA GLY 9 -14.353 -14.919 3.676 39 HA3 GLY 9 2HA GLY 9 -12.879 -15.791 4.072 40 H GLU 10 H GLU 10 -10.819 -14.595 3.345 41 HA GLU 10 HA GLU 10 -10.358 -12.399 4.826 42 HB2 GLU 10 1HB GLU 10 -8.747 -13.744 3.313 43 HB3 GLU 10 2HB GLU 10 -9.142 -12.553 2.082 44 HG2 GLU 10 1HG GLU 10 -7.158 -11.805 3.081 45 HG3 GLU 10 2HG GLU 10 -8.437 -10.787 3.742 46 H LYS 11 H LYS 11 -10.524 -10.191 4.678 47 HA LYS 11 HA LYS 11 -12.689 -9.136 3.213 48 HB2 LYS 11 1HB LYS 11 -10.452 -7.855 4.771 49 HB3 LYS 11 2HB LYS 11 -11.684 -6.898 3.961 50 HG2 LYS 11 1HG LYS 11 -12.535 -9.069 5.811 51 HG3 LYS 11 2HG LYS 11 -11.928 -7.553 6.481 52 HD2 LYS 11 1HD LYS 11 -14.154 -7.050 6.326 53 HD3 LYS 11 2HD LYS 11 -13.615 -6.513 4.733 54 HE2 LYS 11 1HE LYS 11 -14.539 -8.346 3.662 55 HE3 LYS 11 2HE LYS 11 -14.542 -9.328 5.127 56 HZ1 LYS 11 3HZ LYS 11 -16.606 -8.691 5.546 57 HZ2 LYS 11 1HZ LYS 11 -16.641 -7.853 4.077 58 HZ3 LYS 11 2HZ LYS 11 -16.175 -7.056 5.494 59 HA PRO 12 HA PRO 12 -10.928 -8.118 -0.682 60 HB2 PRO 12 1HB PRO 12 -12.440 -5.964 -1.347 61 HB3 PRO 12 2HB PRO 12 -13.063 -7.618 -1.365 62 HG2 PRO 12 1HG PRO 12 -13.376 -5.498 0.725 63 HG3 PRO 12 2HG PRO 12 -14.586 -6.626 0.086 64 HD2 PRO 12 1HD PRO 12 -13.331 -7.022 2.452 65 HD3 PRO 12 2HD PRO 12 -13.849 -8.363 1.410 66 H TYR 13 H TYR 13 -10.444 -6.301 2.040 67 HA TYR 13 HA TYR 13 -8.834 -4.297 0.600 68 HB2 TYR 13 1HB TYR 13 -9.711 -4.031 3.466 69 HB3 TYR 13 2HB TYR 13 -9.170 -2.770 2.363 70 HD1 TYR 13 HD2 TYR 13 -10.730 -2.759 0.096 71 HD2 TYR 13 HD1 TYR 13 -11.944 -3.941 3.999 72 HE1 TYR 13 HE2 TYR 13 -13.067 -2.262 -0.487 73 HE2 TYR 13 HE1 TYR 13 -14.285 -3.448 3.427 74 HH TYR 13 HH TYR 13 -15.474 -1.891 1.719 75 H GLU 14 H GLU 14 -6.784 -4.945 0.524 76 HA GLU 14 HA GLU 14 -5.478 -5.715 3.026 77 HB2 GLU 14 1HB GLU 14 -6.163 -7.748 1.588 78 HB3 GLU 14 2HB GLU 14 -4.885 -7.230 0.497 79 HG2 GLU 14 1HG GLU 14 -3.266 -7.409 2.333 80 HG3 GLU 14 2HG GLU 14 -4.553 -7.978 3.393 81 H CYS 15 H CYS 15 -3.526 -4.806 3.289 82 HA CYS 15 HA CYS 15 -2.640 -2.792 1.526 83 HB2 CYS 15 1HB CYS 15 -2.214 -2.998 4.041 84 HB3 CYS 15 2HB CYS 15 -0.920 -4.115 3.619 85 H LYS 16 H LYS 16 -1.418 -2.885 -0.236 86 HA LYS 16 HA LYS 16 -0.196 -5.432 -0.970 87 HB2 LYS 16 1HB LYS 16 -1.064 -2.994 -2.446 88 HB3 LYS 16 2HB LYS 16 0.244 -3.945 -3.136 89 HG2 LYS 16 1HG LYS 16 -1.102 -5.724 -3.598 90 HG3 LYS 16 2HG LYS 16 -2.210 -5.373 -2.270 91 HD2 LYS 16 1HD LYS 16 -3.517 -4.755 -4.042 92 HD3 LYS 16 2HD LYS 16 -2.707 -3.220 -3.719 93 HE2 LYS 16 1HE LYS 16 -0.993 -3.877 -5.428 94 HE3 LYS 16 2HE LYS 16 -2.016 -5.255 -5.832 95 HZ1 LYS 16 3HZ LYS 16 -2.733 -2.385 -6.078 96 HZ2 LYS 16 1HZ LYS 16 -3.809 -3.664 -6.341 97 HZ3 LYS 16 2HZ LYS 16 -2.461 -3.473 -7.344 98 H GLU 17 H GLU 17 0.923 -3.541 1.070 99 HA GLU 17 HA GLU 17 3.542 -3.078 -0.202 100 HB2 GLU 17 1HB GLU 17 2.652 -1.661 2.290 101 HB3 GLU 17 2HB GLU 17 3.890 -1.190 1.135 102 HG2 GLU 17 1HG GLU 17 1.023 -1.321 0.307 103 HG3 GLU 17 2HG GLU 17 1.644 0.079 1.180 104 H CYS 18 H CYS 18 1.850 -4.221 2.666 105 HA CYS 18 HA CYS 18 4.311 -5.626 3.468 106 HB2 CYS 18 1HB CYS 18 3.662 -5.328 5.822 107 HB3 CYS 18 2HB CYS 18 3.901 -3.779 5.019 108 H GLY 19 H GLY 19 0.770 -5.581 3.563 109 HA2 GLY 19 1HA GLY 19 -0.365 -7.629 2.837 110 HA3 GLY 19 2HA GLY 19 0.847 -8.530 3.737 111 H LYS 20 H LYS 20 -1.686 -6.076 4.209 112 HA LYS 20 HA LYS 20 -2.492 -7.500 6.643 113 HB2 LYS 20 1HB LYS 20 -1.030 -5.363 7.014 114 HB3 LYS 20 2HB LYS 20 -2.510 -4.502 6.609 115 HG2 LYS 20 1HG LYS 20 -3.576 -5.145 8.522 116 HG3 LYS 20 2HG LYS 20 -2.639 -6.633 8.676 117 HD2 LYS 20 1HD LYS 20 -1.245 -4.011 8.948 118 HD3 LYS 20 2HD LYS 20 -2.223 -4.603 10.292 119 HE2 LYS 20 1HE LYS 20 0.009 -6.131 8.957 120 HE3 LYS 20 2HE LYS 20 0.152 -5.250 10.477 121 HZ1 LYS 20 3HZ LYS 20 -1.601 -7.589 9.955 122 HZ2 LYS 20 1HZ LYS 20 -1.583 -6.704 11.397 123 HZ3 LYS 20 2HZ LYS 20 -0.210 -7.567 10.917 124 H ALA 21 H ALA 21 -4.590 -7.949 6.614 125 HA ALA 21 HA ALA 21 -6.311 -6.520 4.721 126 HB1 ALA 21 3HB ALA 21 -7.666 -8.394 4.633 127 HB2 ALA 21 1HB ALA 21 -6.061 -9.096 4.836 128 HB3 ALA 21 2HB ALA 21 -7.150 -8.970 6.218 129 H PHE 22 H PHE 22 -7.950 -5.247 5.350 130 HA PHE 22 HA PHE 22 -8.599 -5.169 8.224 131 HB2 PHE 22 1HB PHE 22 -8.600 -2.833 6.302 132 HB3 PHE 22 2HB PHE 22 -8.960 -2.766 8.024 133 HD1 PHE 22 HD1 PHE 22 -6.317 -3.196 5.517 134 HD2 PHE 22 HD2 PHE 22 -7.214 -2.805 9.660 135 HE1 PHE 22 HE1 PHE 22 -3.935 -2.802 5.992 136 HE2 PHE 22 HE2 PHE 22 -4.834 -2.409 10.141 137 HZ PHE 22 HZ PHE 22 -3.191 -2.406 8.306 138 H SER 23 H SER 23 -10.769 -4.536 8.768 139 HA SER 23 HA SER 23 -12.692 -5.451 6.760 140 HB2 SER 23 1HB SER 23 -12.626 -6.470 9.075 141 HB3 SER 23 2HB SER 23 -13.206 -4.924 9.693 142 HG SER 23 HG SER 23 -15.099 -5.733 9.266 143 H GLN 24 H GLN 24 -11.421 -2.718 6.915 144 HA GLN 24 HA GLN 24 -13.847 -1.232 6.419 145 HB2 GLN 24 1HB GLN 24 -12.149 -0.762 8.818 146 HB3 GLN 24 2HB GLN 24 -12.775 0.648 7.974 147 HG2 GLN 24 1HG GLN 24 -15.058 -0.507 8.157 148 HG3 GLN 24 2HG GLN 24 -14.282 -1.530 9.365 149 HE21 GLN 24 1HE2 GLN 24 -16.455 0.396 9.655 150 HE22 GLN 24 2HE2 GLN 24 -15.928 1.535 10.841 151 H THR 25 H THR 25 -13.486 -0.169 4.600 152 HA THR 25 HA THR 25 -11.093 0.047 3.264 153 HB THR 25 HB THR 25 -12.135 1.919 1.969 154 HG1 THR 25 HG1 THR 25 -13.941 2.839 2.668 155 HG21 THR 25 3HG2 THR 25 -14.225 0.518 1.330 156 HG22 THR 25 1HG2 THR 25 -13.581 -0.657 2.475 157 HG23 THR 25 2HG2 THR 25 -12.622 -0.172 1.077 158 H THR 26 H THR 26 -12.539 2.351 5.525 159 HA THR 26 HA THR 26 -10.671 4.424 5.183 160 HB THR 26 HB THR 26 -12.617 5.060 6.311 161 HG1 THR 26 HG1 THR 26 -10.961 4.748 8.572 162 HG21 THR 26 3HG2 THR 26 -13.641 3.138 7.080 163 HG22 THR 26 1HG2 THR 26 -13.133 3.885 8.593 164 HG23 THR 26 2HG2 THR 26 -12.190 2.565 7.901 165 H HIS 27 H HIS 27 -10.607 1.499 7.097 166 HA HIS 27 HA HIS 27 -8.451 2.201 8.791 167 HB2 HIS 27 1HB HIS 27 -10.139 0.235 8.977 168 HB3 HIS 27 2HB HIS 27 -9.011 -0.624 7.933 169 HD1 HIS 27 HD1 HIS 27 -9.524 -1.628 10.775 170 HD2 HIS 27 HD2 HIS 27 -6.457 0.987 9.765 171 HE1 HIS 27 HE1 HIS 27 -7.796 -1.888 12.584 172 H LEU 28 H LEU 28 -8.606 0.488 5.691 173 HA LEU 28 HA LEU 28 -5.886 -0.165 5.496 174 HB2 LEU 28 1HB LEU 28 -7.564 -1.172 4.070 175 HB3 LEU 28 2HB LEU 28 -7.907 0.390 3.329 176 HG LEU 28 HG LEU 28 -5.679 0.404 2.322 177 HD11 LEU 28 1HD1 LEU 28 -4.537 -0.903 4.068 178 HD12 LEU 28 2HD1 LEU 28 -4.228 -1.525 2.448 179 HD13 LEU 28 3HD1 LEU 28 -5.371 -2.351 3.506 180 HD21 LEU 28 3HD2 LEU 28 -6.291 -2.156 1.290 181 HD22 LEU 28 1HD2 LEU 28 -6.680 -0.578 0.605 182 HD23 LEU 28 2HD2 LEU 28 -7.818 -1.370 1.695 183 H ILE 29 H ILE 29 -7.678 2.667 4.327 184 HA ILE 29 HA ILE 29 -5.525 3.938 3.048 185 HB ILE 29 HB ILE 29 -7.941 5.204 4.345 186 HG12 ILE 29 1HG1 ILE 29 -7.490 4.466 1.448 187 HG13 ILE 29 2HG1 ILE 29 -8.403 3.476 2.582 188 HG21 ILE 29 1HG2 ILE 29 -5.989 6.719 3.864 189 HG22 ILE 29 2HG2 ILE 29 -6.217 6.340 2.158 190 HG23 ILE 29 3HG2 ILE 29 -7.499 7.148 3.060 191 HD11 ILE 29 3HD1 ILE 29 -10.030 5.233 2.860 192 HD12 ILE 29 1HD1 ILE 29 -9.088 6.305 1.823 193 HD13 ILE 29 2HD1 ILE 29 -9.835 4.857 1.148 194 H GLN 30 H GLN 30 -6.622 3.975 6.390 195 HA GLN 30 HA GLN 30 -4.938 6.093 7.251 196 HB2 GLN 30 1HB GLN 30 -6.457 3.922 8.663 197 HB3 GLN 30 2HB GLN 30 -5.367 4.977 9.552 198 HG2 GLN 30 1HG GLN 30 -6.662 6.916 8.574 199 HG3 GLN 30 2HG GLN 30 -7.849 5.726 8.043 200 HE21 GLN 30 1HE2 GLN 30 -7.535 7.958 10.219 201 HE22 GLN 30 2HE2 GLN 30 -8.277 7.230 11.598 202 H HIS 31 H HIS 31 -4.646 2.556 7.412 203 HA HIS 31 HA HIS 31 -2.276 2.338 8.804 204 HB2 HIS 31 1HB HIS 31 -3.440 0.338 8.317 205 HB3 HIS 31 2HB HIS 31 -3.437 0.662 6.586 206 HD1 HIS 31 HD1 HIS 31 -1.159 -0.468 9.365 207 HD2 HIS 31 HD2 HIS 31 -1.229 -0.263 5.216 208 HE1 HIS 31 HE1 HIS 31 0.842 -1.781 8.594 209 H GLN 32 H GLN 32 -2.734 2.852 5.326 210 HA GLN 32 HA GLN 32 -0.198 2.633 4.364 211 HB2 GLN 32 1HB GLN 32 -2.217 4.775 3.677 212 HB3 GLN 32 2HB GLN 32 -0.794 4.397 2.715 213 HG2 GLN 32 1HG GLN 32 -2.765 2.253 3.361 214 HG3 GLN 32 2HG GLN 32 -3.101 3.406 2.070 215 HE21 GLN 32 1HE2 GLN 32 -2.871 0.729 1.545 216 HE22 GLN 32 2HE2 GLN 32 -1.434 0.436 0.632 217 H ARG 33 H ARG 33 -1.474 5.180 6.389 218 HA ARG 33 HA ARG 33 0.343 7.205 6.072 219 HB2 ARG 33 1HB ARG 33 -1.021 6.165 8.548 220 HB3 ARG 33 2HB ARG 33 0.015 7.585 8.589 221 HG2 ARG 33 1HG ARG 33 -1.431 8.828 7.246 222 HG3 ARG 33 2HG ARG 33 -2.277 7.390 6.672 223 HD2 ARG 33 1HD ARG 33 -3.342 7.075 8.772 224 HD3 ARG 33 2HD ARG 33 -2.308 8.275 9.548 225 HE ARG 33 HE ARG 33 -4.727 8.772 8.159 226 HH11 ARG 33 1HH1 ARG 33 -1.556 10.094 8.722 227 HH12 ARG 33 2HH1 ARG 33 -2.051 11.734 8.468 228 HH21 ARG 33 1HH2 ARG 33 -5.392 10.928 7.821 229 HH22 ARG 33 2HH2 ARG 33 -4.234 12.207 7.956 230 H VAL 34 H VAL 34 0.720 4.278 8.037 231 HA VAL 34 HA VAL 34 3.208 4.905 9.169 232 HB VAL 34 HB VAL 34 3.453 2.542 9.642 233 HG11 VAL 34 1HG1 VAL 34 0.698 3.691 9.948 234 HG12 VAL 34 2HG1 VAL 34 1.124 2.117 10.623 235 HG13 VAL 34 3HG1 VAL 34 1.985 3.565 11.147 236 HG21 VAL 34 3HG2 VAL 34 1.800 2.272 7.277 237 HG22 VAL 34 1HG2 VAL 34 2.847 1.091 8.063 238 HG23 VAL 34 2HG2 VAL 34 1.188 1.309 8.622 239 H HIS 35 H HIS 35 2.337 3.732 6.015 240 HA HIS 35 HA HIS 35 5.036 2.941 5.335 241 HB2 HIS 35 1HB HIS 35 2.446 3.055 3.800 242 HB3 HIS 35 2HB HIS 35 3.979 2.702 3.007 243 HD1 HIS 35 HD1 HIS 35 5.321 0.639 4.467 244 HD2 HIS 35 HD2 HIS 35 1.169 0.774 4.432 245 HE1 HIS 35 HE1 HIS 35 4.568 -1.683 5.072 246 H THR 36 H THR 36 2.997 5.732 5.030 247 HA THR 36 HA THR 36 5.044 7.053 3.372 248 HB THR 36 HB THR 36 2.890 7.052 2.268 249 HG1 THR 36 HG1 THR 36 3.430 9.005 1.686 250 HG21 THR 36 3HG2 THR 36 1.888 8.247 4.847 251 HG22 THR 36 1HG2 THR 36 1.359 6.757 4.067 252 HG23 THR 36 2HG2 THR 36 0.983 8.317 3.335 253 H GLY 37 H GLY 37 5.821 6.920 5.896 254 HA2 GLY 37 1HA GLY 37 6.062 9.617 6.691 255 HA3 GLY 37 2HA GLY 37 4.871 8.822 7.711 256 H GLU 38 H GLU 38 8.000 7.810 6.333 257 HA GLU 38 HA GLU 38 8.908 7.247 9.077 258 HB2 GLU 38 1HB GLU 38 9.096 5.520 6.624 259 HB3 GLU 38 2HB GLU 38 10.238 5.337 7.948 260 HG2 GLU 38 1HG GLU 38 8.362 4.923 9.481 261 HG3 GLU 38 2HG GLU 38 7.248 5.041 8.120 262 H LYS 39 H LYS 39 11.339 6.989 9.175 263 HA LYS 39 HA LYS 39 12.572 9.070 7.501 264 HB2 LYS 39 1HB LYS 39 12.991 8.190 10.327 265 HB3 LYS 39 2HB LYS 39 14.342 8.898 9.451 266 HG2 LYS 39 1HG LYS 39 13.374 10.692 10.574 267 HG3 LYS 39 2HG LYS 39 12.760 10.831 8.925 268 HD2 LYS 39 1HD LYS 39 10.648 9.946 9.543 269 HD3 LYS 39 2HD LYS 39 11.249 9.428 11.119 270 HE2 LYS 39 1HE LYS 39 10.051 11.366 11.600 271 HE3 LYS 39 2HE LYS 39 11.721 11.923 11.525 272 HZ1 LYS 39 3HZ LYS 39 10.860 13.457 10.156 273 HZ2 LYS 39 1HZ LYS 39 9.487 12.539 9.790 274 HZ3 LYS 39 2HZ LYS 39 10.945 12.237 8.988 275 HA PRO 40 HA PRO 40 14.536 5.159 6.048 276 HB2 PRO 40 1HB PRO 40 14.700 5.953 3.457 277 HB3 PRO 40 2HB PRO 40 13.256 5.198 4.140 278 HG2 PRO 40 1HG PRO 40 13.830 8.096 3.657 279 HG3 PRO 40 2HG PRO 40 12.340 7.184 3.351 280 HD2 PRO 40 1HD PRO 40 12.660 8.765 5.526 281 HD3 PRO 40 2HD PRO 40 11.674 7.289 5.556 282 H SER 41 H SER 41 16.629 5.102 6.566 283 HA SER 41 HA SER 41 18.440 7.041 6.903 284 HB2 SER 41 1HB SER 41 18.686 4.431 7.039 285 HB3 SER 41 2HB SER 41 19.392 4.608 5.433 286 HG SER 41 HG SER 41 20.655 6.379 6.651 287 H GLY 42 H GLY 42 19.371 8.591 5.739 288 HA2 GLY 42 1HA GLY 42 20.257 9.726 3.940 289 HA3 GLY 42 2HA GLY 42 20.202 8.223 3.032 290 HA PRO 43 HA PRO 43 15.821 10.184 2.498 291 HB2 PRO 43 1HB PRO 43 15.435 12.653 3.558 292 HB3 PRO 43 2HB PRO 43 15.116 11.163 4.454 293 HG2 PRO 43 1HG PRO 43 17.504 12.966 4.565 294 HG3 PRO 43 2HG PRO 43 16.627 12.187 5.895 295 HD2 PRO 43 1HD PRO 43 18.960 11.217 4.922 296 HD3 PRO 43 2HD PRO 43 17.689 10.166 5.578 297 H SER 44 H SER 44 16.362 10.427 0.360 298 HA SER 44 HA SER 44 17.818 12.795 -0.502 299 HB2 SER 44 1HB SER 44 17.702 11.746 -2.753 300 HB3 SER 44 2HB SER 44 18.420 10.680 -1.545 301 HG SER 44 HG SER 44 16.790 9.713 -2.955 302 H SER 45 H SER 45 14.691 11.240 -1.203 303 HA SER 45 HA SER 45 13.423 13.831 -1.423 304 HB2 SER 45 1HB SER 45 12.493 13.324 -3.698 305 HB3 SER 45 2HB SER 45 14.231 13.621 -3.687 306 HG SER 45 HG SER 45 13.879 11.800 -4.902 307 H GLY 46 H GLY 46 11.015 13.454 -2.123 308 HA2 GLY 46 1HA GLY 46 9.127 11.968 -2.061 309 HA3 GLY 46 2HA GLY 46 10.044 10.911 -0.999 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.046 -27.693 5.623 2 HA2 GLY 1 1HA GLY 1 0.115 -25.545 7.396 3 HA3 GLY 1 2HA GLY 1 -0.056 -25.581 5.648 4 H SER 2 H SER 2 -2.285 -24.893 6.449 5 HA SER 2 HA SER 2 -4.030 -27.162 6.198 6 HB2 SER 2 1HB SER 2 -3.950 -25.594 8.781 7 HB3 SER 2 2HB SER 2 -5.319 -26.596 8.300 8 HG SER 2 HG SER 2 -3.893 -28.382 8.250 9 H SER 3 H SER 3 -6.130 -26.595 5.596 10 HA SER 3 HA SER 3 -6.850 -23.780 5.480 11 HB2 SER 3 1HB SER 3 -6.248 -25.461 3.070 12 HB3 SER 3 2HB SER 3 -7.472 -24.196 2.972 13 HG SER 3 HG SER 3 -4.742 -23.992 3.098 14 H GLY 4 H GLY 4 -9.011 -23.452 5.606 15 HA2 GLY 4 1HA GLY 4 -10.864 -25.592 4.937 16 HA3 GLY 4 2HA GLY 4 -10.782 -25.164 6.640 17 H SER 5 H SER 5 -13.155 -24.937 5.328 18 HA SER 5 HA SER 5 -13.478 -22.016 5.133 19 HB2 SER 5 1HB SER 5 -15.017 -24.067 3.523 20 HB3 SER 5 2HB SER 5 -15.171 -22.314 3.414 21 HG SER 5 HG SER 5 -13.016 -22.242 2.672 22 H SER 6 H SER 6 -14.004 -22.084 7.390 23 HA SER 6 HA SER 6 -16.694 -23.166 7.923 24 HB2 SER 6 1HB SER 6 -14.819 -24.245 9.215 25 HB3 SER 6 2HB SER 6 -14.532 -22.684 9.983 26 HG SER 6 HG SER 6 -16.137 -23.086 11.264 27 H GLY 7 H GLY 7 -16.397 -20.674 6.742 28 HA2 GLY 7 1HA GLY 7 -18.006 -18.910 7.576 29 HA3 GLY 7 2HA GLY 7 -16.942 -18.816 8.972 30 H THR 8 H THR 8 -17.765 -17.001 6.585 31 HA THR 8 HA THR 8 -15.536 -16.426 5.025 32 HB THR 8 HB THR 8 -16.494 -14.170 4.727 33 HG1 THR 8 HG1 THR 8 -18.001 -13.414 6.058 34 HG21 THR 8 3HG2 THR 8 -17.646 -16.614 4.035 35 HG22 THR 8 1HG2 THR 8 -17.964 -15.047 3.293 36 HG23 THR 8 2HG2 THR 8 -18.990 -15.625 4.606 37 H GLY 9 H GLY 9 -13.986 -14.701 5.160 38 HA2 GLY 9 1HA GLY 9 -13.570 -13.357 7.679 39 HA3 GLY 9 2HA GLY 9 -12.400 -14.630 7.360 40 H GLU 10 H GLU 10 -11.909 -14.405 4.707 41 HA GLU 10 HA GLU 10 -10.015 -12.422 4.517 42 HB2 GLU 10 1HB GLU 10 -11.592 -13.733 2.297 43 HB3 GLU 10 2HB GLU 10 -10.156 -12.751 2.040 44 HG2 GLU 10 1HG GLU 10 -9.365 -14.931 1.984 45 HG3 GLU 10 2HG GLU 10 -8.979 -14.382 3.613 46 H LYS 11 H LYS 11 -9.908 -10.418 3.424 47 HA LYS 11 HA LYS 11 -12.504 -9.102 2.978 48 HB2 LYS 11 1HB LYS 11 -10.095 -8.022 4.444 49 HB3 LYS 11 2HB LYS 11 -11.415 -7.005 3.880 50 HG2 LYS 11 1HG LYS 11 -12.867 -7.769 5.458 51 HG3 LYS 11 2HG LYS 11 -12.096 -9.353 5.561 52 HD2 LYS 11 1HD LYS 11 -10.586 -6.950 6.476 53 HD3 LYS 11 2HD LYS 11 -11.858 -7.604 7.510 54 HE2 LYS 11 1HE LYS 11 -10.771 -9.696 7.683 55 HE3 LYS 11 2HE LYS 11 -9.665 -9.313 6.364 56 HZ1 LYS 11 3HZ LYS 11 -9.403 -7.368 8.375 57 HZ2 LYS 11 1HZ LYS 11 -8.249 -8.474 7.822 58 HZ3 LYS 11 2HZ LYS 11 -9.284 -8.896 9.091 59 HA PRO 12 HA PRO 12 -10.849 -7.949 -0.935 60 HB2 PRO 12 1HB PRO 12 -12.435 -5.809 -1.463 61 HB3 PRO 12 2HB PRO 12 -13.014 -7.477 -1.544 62 HG2 PRO 12 1HG PRO 12 -13.331 -5.467 0.651 63 HG3 PRO 12 2HG PRO 12 -14.526 -6.597 -0.012 64 HD2 PRO 12 1HD PRO 12 -13.202 -7.068 2.303 65 HD3 PRO 12 2HD PRO 12 -13.710 -8.373 1.211 66 H TYR 13 H TYR 13 -10.339 -6.254 1.857 67 HA TYR 13 HA TYR 13 -8.776 -4.177 0.468 68 HB2 TYR 13 1HB TYR 13 -9.703 -3.947 3.321 69 HB3 TYR 13 2HB TYR 13 -9.176 -2.670 2.231 70 HD1 TYR 13 HD2 TYR 13 -10.730 -2.879 -0.115 71 HD2 TYR 13 HD1 TYR 13 -11.921 -3.710 3.884 72 HE1 TYR 13 HE2 TYR 13 -13.070 -2.430 -0.725 73 HE2 TYR 13 HE1 TYR 13 -14.265 -3.264 3.285 74 HH TYR 13 HH TYR 13 -15.529 -3.381 0.596 75 H GLU 14 H GLU 14 -6.686 -4.649 0.484 76 HA GLU 14 HA GLU 14 -5.463 -5.564 2.982 77 HB2 GLU 14 1HB GLU 14 -5.963 -7.451 1.233 78 HB3 GLU 14 2HB GLU 14 -4.560 -6.791 0.404 79 HG2 GLU 14 1HG GLU 14 -3.162 -7.222 2.305 80 HG3 GLU 14 2HG GLU 14 -4.553 -7.728 3.262 81 H CYS 15 H CYS 15 -3.385 -4.846 3.326 82 HA CYS 15 HA CYS 15 -2.581 -2.549 1.808 83 HB2 CYS 15 1HB CYS 15 -2.300 -2.665 4.258 84 HB3 CYS 15 2HB CYS 15 -1.149 -3.982 4.056 85 H LYS 16 H LYS 16 -1.315 -2.525 0.082 86 HA LYS 16 HA LYS 16 0.076 -4.946 -0.720 87 HB2 LYS 16 1HB LYS 16 -1.314 -3.438 -2.265 88 HB3 LYS 16 2HB LYS 16 0.052 -2.332 -2.216 89 HG2 LYS 16 1HG LYS 16 1.417 -3.747 -3.408 90 HG3 LYS 16 2HG LYS 16 0.507 -5.187 -2.945 91 HD2 LYS 16 1HD LYS 16 -0.150 -4.946 -5.134 92 HD3 LYS 16 2HD LYS 16 -1.413 -4.029 -4.308 93 HE2 LYS 16 1HE LYS 16 -0.390 -1.962 -4.852 94 HE3 LYS 16 2HE LYS 16 1.095 -2.754 -5.374 95 HZ1 LYS 16 3HZ LYS 16 -0.992 -2.008 -6.974 96 HZ2 LYS 16 1HZ LYS 16 -1.175 -3.684 -6.829 97 HZ3 LYS 16 2HZ LYS 16 0.278 -3.038 -7.405 98 H GLU 17 H GLU 17 0.958 -3.131 1.544 99 HA GLU 17 HA GLU 17 3.670 -2.551 0.549 100 HB2 GLU 17 1HB GLU 17 2.524 -1.384 3.068 101 HB3 GLU 17 2HB GLU 17 3.865 -0.797 2.095 102 HG2 GLU 17 1HG GLU 17 1.136 -0.885 0.908 103 HG3 GLU 17 2HG GLU 17 1.549 0.401 2.040 104 H CYS 18 H CYS 18 1.769 -4.085 3.057 105 HA CYS 18 HA CYS 18 4.193 -5.488 3.953 106 HB2 CYS 18 1HB CYS 18 3.417 -5.398 6.265 107 HB3 CYS 18 2HB CYS 18 3.603 -3.770 5.620 108 H GLY 19 H GLY 19 0.651 -5.482 3.820 109 HA2 GLY 19 1HA GLY 19 -0.396 -7.464 2.814 110 HA3 GLY 19 2HA GLY 19 0.761 -8.433 3.713 111 H LYS 20 H LYS 20 -1.476 -5.786 4.555 112 HA LYS 20 HA LYS 20 -2.590 -7.540 6.646 113 HB2 LYS 20 1HB LYS 20 -1.088 -5.574 7.395 114 HB3 LYS 20 2HB LYS 20 -2.437 -4.549 6.925 115 HG2 LYS 20 1HG LYS 20 -3.881 -5.657 8.515 116 HG3 LYS 20 2HG LYS 20 -2.589 -6.782 8.940 117 HD2 LYS 20 1HD LYS 20 -2.051 -3.865 9.177 118 HD3 LYS 20 2HD LYS 20 -3.087 -4.624 10.389 119 HE2 LYS 20 1HE LYS 20 -1.294 -6.316 10.757 120 HE3 LYS 20 2HE LYS 20 -0.262 -5.393 9.666 121 HZ1 LYS 20 3HZ LYS 20 -1.501 -4.140 12.038 122 HZ2 LYS 20 1HZ LYS 20 -0.163 -3.616 11.145 123 HZ3 LYS 20 2HZ LYS 20 -0.031 -4.970 12.149 124 H ALA 21 H ALA 21 -4.725 -7.823 6.581 125 HA ALA 21 HA ALA 21 -6.278 -6.216 4.689 126 HB1 ALA 21 3HB ALA 21 -7.866 -7.986 4.655 127 HB2 ALA 21 1HB ALA 21 -6.266 -8.720 4.539 128 HB3 ALA 21 2HB ALA 21 -7.141 -8.747 6.071 129 H PHE 22 H PHE 22 -8.017 -5.003 5.271 130 HA PHE 22 HA PHE 22 -8.688 -4.909 8.138 131 HB2 PHE 22 1HB PHE 22 -8.610 -2.537 6.264 132 HB3 PHE 22 2HB PHE 22 -8.945 -2.503 7.992 133 HD1 PHE 22 HD1 PHE 22 -6.323 -3.198 5.480 134 HD2 PHE 22 HD2 PHE 22 -7.205 -2.381 9.563 135 HE1 PHE 22 HE1 PHE 22 -3.925 -2.885 5.932 136 HE2 PHE 22 HE2 PHE 22 -4.808 -2.066 10.021 137 HZ PHE 22 HZ PHE 22 -3.165 -2.317 8.205 138 H SER 23 H SER 23 -10.782 -5.104 8.621 139 HA SER 23 HA SER 23 -12.698 -5.917 6.816 140 HB2 SER 23 1HB SER 23 -14.348 -5.504 8.566 141 HB3 SER 23 2HB SER 23 -12.881 -6.180 9.274 142 HG SER 23 HG SER 23 -13.502 -3.412 9.183 143 H GLN 24 H GLN 24 -12.064 -2.645 8.013 144 HA GLN 24 HA GLN 24 -13.974 -1.602 6.035 145 HB2 GLN 24 1HB GLN 24 -12.937 -0.515 8.636 146 HB3 GLN 24 2HB GLN 24 -13.636 0.557 7.430 147 HG2 GLN 24 1HG GLN 24 -15.744 -0.248 7.726 148 HG3 GLN 24 2HG GLN 24 -15.185 -1.845 8.219 149 HE21 GLN 24 1HE2 GLN 24 -16.587 0.942 9.266 150 HE22 GLN 24 2HE2 GLN 24 -16.250 0.816 10.956 151 H THR 25 H THR 25 -13.376 0.080 4.649 152 HA THR 25 HA THR 25 -10.759 -0.037 3.627 153 HB THR 25 HB THR 25 -11.432 2.016 2.313 154 HG1 THR 25 HG1 THR 25 -13.661 2.598 2.503 155 HG21 THR 25 3HG2 THR 25 -13.153 0.823 0.998 156 HG22 THR 25 1HG2 THR 25 -13.296 -0.361 2.296 157 HG23 THR 25 2HG2 THR 25 -11.781 -0.206 1.405 158 H THR 26 H THR 26 -12.398 2.563 5.433 159 HA THR 26 HA THR 26 -10.443 4.444 5.581 160 HB THR 26 HB THR 26 -12.652 4.721 6.624 161 HG1 THR 26 HG1 THR 26 -10.275 5.260 8.008 162 HG21 THR 26 3HG2 THR 26 -11.549 2.752 8.614 163 HG22 THR 26 1HG2 THR 26 -13.058 2.663 7.707 164 HG23 THR 26 2HG2 THR 26 -12.878 3.842 9.007 165 H HIS 27 H HIS 27 -10.574 1.407 7.338 166 HA HIS 27 HA HIS 27 -8.487 1.937 9.164 167 HB2 HIS 27 1HB HIS 27 -9.868 -0.509 8.164 168 HB3 HIS 27 2HB HIS 27 -8.336 -0.714 9.008 169 HD1 HIS 27 HD1 HIS 27 -9.990 -1.990 10.751 170 HD2 HIS 27 HD2 HIS 27 -10.308 2.147 10.543 171 HE1 HIS 27 HE1 HIS 27 -11.185 -1.301 12.854 172 H LEU 28 H LEU 28 -8.522 0.484 5.937 173 HA LEU 28 HA LEU 28 -5.731 -0.113 5.917 174 HB2 LEU 28 1HB LEU 28 -7.049 -1.419 4.492 175 HB3 LEU 28 2HB LEU 28 -7.871 -0.012 3.820 176 HG LEU 28 HG LEU 28 -5.701 0.608 2.718 177 HD11 LEU 28 1HD1 LEU 28 -4.070 -1.251 2.439 178 HD12 LEU 28 2HD1 LEU 28 -4.926 -2.130 3.705 179 HD13 LEU 28 3HD1 LEU 28 -4.141 -0.595 4.074 180 HD21 LEU 28 3HD2 LEU 28 -5.880 -1.263 1.010 181 HD22 LEU 28 1HD2 LEU 28 -7.353 -0.353 1.345 182 HD23 LEU 28 2HD2 LEU 28 -7.126 -1.953 2.051 183 H ILE 29 H ILE 29 -7.681 2.369 4.258 184 HA ILE 29 HA ILE 29 -5.726 3.757 2.951 185 HB ILE 29 HB ILE 29 -8.075 4.960 4.420 186 HG12 ILE 29 1HG1 ILE 29 -7.851 4.229 1.498 187 HG13 ILE 29 2HG1 ILE 29 -8.544 3.152 2.706 188 HG21 ILE 29 1HG2 ILE 29 -7.851 6.843 2.900 189 HG22 ILE 29 2HG2 ILE 29 -6.372 6.625 3.834 190 HG23 ILE 29 3HG2 ILE 29 -6.439 6.093 2.154 191 HD11 ILE 29 3HD1 ILE 29 -10.348 4.605 3.108 192 HD12 ILE 29 1HD1 ILE 29 -9.572 5.932 2.243 193 HD13 ILE 29 2HD1 ILE 29 -10.166 4.528 1.355 194 H GLN 30 H GLN 30 -6.660 4.110 6.354 195 HA GLN 30 HA GLN 30 -4.806 6.199 6.900 196 HB2 GLN 30 1HB GLN 30 -6.575 4.433 8.522 197 HB3 GLN 30 2HB GLN 30 -5.261 5.263 9.345 198 HG2 GLN 30 1HG GLN 30 -6.150 7.394 8.290 199 HG3 GLN 30 2HG GLN 30 -7.585 6.458 7.876 200 HE21 GLN 30 1HE2 GLN 30 -8.824 5.543 9.596 201 HE22 GLN 30 2HE2 GLN 30 -8.811 6.273 11.162 202 H HIS 31 H HIS 31 -4.764 2.691 7.371 203 HA HIS 31 HA HIS 31 -2.366 2.483 8.777 204 HB2 HIS 31 1HB HIS 31 -3.726 0.547 8.638 205 HB3 HIS 31 2HB HIS 31 -3.756 0.600 6.878 206 HD1 HIS 31 HD1 HIS 31 -1.572 -0.394 9.760 207 HD2 HIS 31 HD2 HIS 31 -1.594 -0.607 5.611 208 HE1 HIS 31 HE1 HIS 31 0.306 -1.954 9.157 209 H GLN 32 H GLN 32 -2.977 2.767 5.323 210 HA GLN 32 HA GLN 32 -0.430 2.144 4.366 211 HB2 GLN 32 1HB GLN 32 -2.590 3.959 3.308 212 HB3 GLN 32 2HB GLN 32 -1.089 3.683 2.434 213 HG2 GLN 32 1HG GLN 32 -1.564 1.359 2.203 214 HG3 GLN 32 2HG GLN 32 -2.951 1.482 3.284 215 HE21 GLN 32 1HE2 GLN 32 -3.170 0.383 0.773 216 HE22 GLN 32 2HE2 GLN 32 -4.130 1.416 -0.224 217 H ARG 33 H ARG 33 -1.418 4.739 6.287 218 HA ARG 33 HA ARG 33 0.350 6.755 5.363 219 HB2 ARG 33 1HB ARG 33 -0.932 6.349 8.070 220 HB3 ARG 33 2HB ARG 33 -0.066 7.800 7.585 221 HG2 ARG 33 1HG ARG 33 -2.571 6.727 6.304 222 HG3 ARG 33 2HG ARG 33 -2.469 8.104 7.403 223 HD2 ARG 33 1HD ARG 33 -0.893 9.162 5.748 224 HD3 ARG 33 2HD ARG 33 -1.310 7.860 4.635 225 HE ARG 33 HE ARG 33 -3.265 8.944 4.192 226 HH11 ARG 33 1HH1 ARG 33 -2.026 10.089 7.238 227 HH12 ARG 33 2HH1 ARG 33 -3.245 11.305 7.425 228 HH21 ARG 33 1HH2 ARG 33 -4.876 10.542 4.428 229 HH22 ARG 33 2HH2 ARG 33 -4.866 11.561 5.827 230 H VAL 34 H VAL 34 0.707 4.022 7.490 231 HA VAL 34 HA VAL 34 3.116 4.859 8.751 232 HB VAL 34 HB VAL 34 3.312 2.626 9.581 233 HG11 VAL 34 1HG1 VAL 34 0.687 3.946 9.562 234 HG12 VAL 34 2HG1 VAL 34 0.672 2.253 10.061 235 HG13 VAL 34 3HG1 VAL 34 1.684 3.418 10.917 236 HG21 VAL 34 3HG2 VAL 34 1.164 1.222 8.418 237 HG22 VAL 34 1HG2 VAL 34 2.083 1.935 7.093 238 HG23 VAL 34 2HG2 VAL 34 2.889 0.889 8.261 239 H HIS 35 H HIS 35 2.394 3.607 5.652 240 HA HIS 35 HA HIS 35 5.151 2.731 5.203 241 HB2 HIS 35 1HB HIS 35 2.665 2.480 3.501 242 HB3 HIS 35 2HB HIS 35 4.262 1.932 3.001 243 HD1 HIS 35 HD1 HIS 35 5.350 0.111 4.792 244 HD2 HIS 35 HD2 HIS 35 1.219 0.555 4.725 245 HE1 HIS 35 HE1 HIS 35 4.433 -1.965 5.876 246 H THR 36 H THR 36 3.055 5.375 4.635 247 HA THR 36 HA THR 36 4.723 6.436 2.478 248 HB THR 36 HB THR 36 2.118 6.510 2.525 249 HG1 THR 36 HG1 THR 36 2.244 8.305 1.205 250 HG21 THR 36 3HG2 THR 36 1.122 8.381 3.596 251 HG22 THR 36 1HG2 THR 36 2.691 9.050 4.042 252 HG23 THR 36 2HG2 THR 36 2.107 7.578 4.819 253 H GLY 37 H GLY 37 4.277 6.694 5.860 254 HA2 GLY 37 1HA GLY 37 4.931 9.331 6.412 255 HA3 GLY 37 2HA GLY 37 5.341 7.969 7.445 256 H GLU 38 H GLU 38 7.033 6.690 5.447 257 HA GLU 38 HA GLU 38 9.379 8.418 5.776 258 HB2 GLU 38 1HB GLU 38 9.491 6.146 6.735 259 HB3 GLU 38 2HB GLU 38 9.227 5.467 5.135 260 HG2 GLU 38 1HG GLU 38 11.323 6.197 4.362 261 HG3 GLU 38 2HG GLU 38 11.547 7.268 5.744 262 H LYS 39 H LYS 39 9.839 9.638 4.073 263 HA LYS 39 HA LYS 39 8.991 8.953 1.416 264 HB2 LYS 39 1HB LYS 39 10.526 11.233 2.623 265 HB3 LYS 39 2HB LYS 39 10.448 11.039 0.876 266 HG2 LYS 39 1HG LYS 39 8.160 11.431 0.808 267 HG3 LYS 39 2HG LYS 39 7.951 11.076 2.525 268 HD2 LYS 39 1HD LYS 39 8.993 13.124 3.155 269 HD3 LYS 39 2HD LYS 39 9.527 13.432 1.500 270 HE2 LYS 39 1HE LYS 39 6.640 13.275 2.356 271 HE3 LYS 39 2HE LYS 39 7.551 14.778 2.210 272 HZ1 LYS 39 3HZ LYS 39 7.491 12.966 -0.090 273 HZ2 LYS 39 1HZ LYS 39 7.573 14.656 -0.049 274 HZ3 LYS 39 2HZ LYS 39 6.102 13.873 0.243 275 HA PRO 40 HA PRO 40 12.545 6.712 0.104 276 HB2 PRO 40 1HB PRO 40 12.364 7.138 -2.571 277 HB3 PRO 40 2HB PRO 40 11.279 6.051 -1.696 278 HG2 PRO 40 1HG PRO 40 10.823 8.875 -2.579 279 HG3 PRO 40 2HG PRO 40 9.723 7.486 -2.660 280 HD2 PRO 40 1HD PRO 40 9.543 9.375 -0.729 281 HD3 PRO 40 2HD PRO 40 9.118 7.675 -0.445 282 H SER 41 H SER 41 12.164 10.091 -0.438 283 HA SER 41 HA SER 41 15.064 10.334 -0.873 284 HB2 SER 41 1HB SER 41 14.280 12.521 -2.168 285 HB3 SER 41 2HB SER 41 14.396 10.962 -2.984 286 HG SER 41 HG SER 41 12.395 12.025 -3.378 287 H GLY 42 H GLY 42 15.709 12.757 -0.510 288 HA2 GLY 42 1HA GLY 42 14.428 13.587 2.018 289 HA3 GLY 42 2HA GLY 42 16.132 13.809 1.652 290 HA PRO 43 HA PRO 43 13.650 17.021 -1.007 291 HB2 PRO 43 1HB PRO 43 11.071 17.420 -0.257 292 HB3 PRO 43 2HB PRO 43 11.543 16.237 -1.483 293 HG2 PRO 43 1HG PRO 43 10.905 15.814 1.411 294 HG3 PRO 43 2HG PRO 43 10.415 14.851 0.005 295 HD2 PRO 43 1HD PRO 43 12.454 14.122 1.632 296 HD3 PRO 43 2HD PRO 43 12.438 13.752 -0.105 297 H SER 44 H SER 44 12.322 16.784 2.298 298 HA SER 44 HA SER 44 13.740 19.183 3.076 299 HB2 SER 44 1HB SER 44 11.717 20.369 3.840 300 HB3 SER 44 2HB SER 44 11.699 20.122 2.094 301 HG SER 44 HG SER 44 10.448 18.307 3.858 302 H SER 45 H SER 45 12.811 19.764 5.452 303 HA SER 45 HA SER 45 13.765 17.972 7.221 304 HB2 SER 45 1HB SER 45 12.757 20.328 7.626 305 HB3 SER 45 2HB SER 45 11.250 19.463 7.930 306 HG SER 45 HG SER 45 12.205 18.414 9.633 307 H GLY 46 H GLY 46 13.313 15.957 7.804 308 HA2 GLY 46 1HA GLY 46 10.760 14.790 6.989 309 HA3 GLY 46 2HA GLY 46 12.185 13.907 7.518 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.246 -31.698 -6.721 2 HA2 GLY 1 1HA GLY 1 0.852 -30.733 -4.961 3 HA3 GLY 1 2HA GLY 1 2.142 -31.108 -3.829 4 H SER 2 H SER 2 0.764 -28.727 -5.737 5 HA SER 2 HA SER 2 3.222 -27.133 -5.855 6 HB2 SER 2 1HB SER 2 2.073 -25.696 -7.397 7 HB3 SER 2 2HB SER 2 1.747 -27.358 -7.891 8 HG SER 2 HG SER 2 -0.296 -27.070 -7.474 9 H SER 3 H SER 3 3.625 -26.007 -4.072 10 HA SER 3 HA SER 3 1.493 -25.129 -2.328 11 HB2 SER 3 1HB SER 3 3.324 -24.294 -0.894 12 HB3 SER 3 2HB SER 3 3.570 -25.980 -1.351 13 HG SER 3 HG SER 3 4.795 -24.786 -3.205 14 H GLY 4 H GLY 4 0.538 -23.203 -2.370 15 HA2 GLY 4 1HA GLY 4 1.949 -20.966 -3.675 16 HA3 GLY 4 2HA GLY 4 0.279 -21.330 -4.083 17 H SER 5 H SER 5 -1.344 -21.073 -2.435 18 HA SER 5 HA SER 5 -0.540 -19.132 -0.368 19 HB2 SER 5 1HB SER 5 -2.673 -18.049 -0.607 20 HB3 SER 5 2HB SER 5 -1.991 -18.234 -2.223 21 HG SER 5 HG SER 5 -4.165 -19.533 -1.041 22 H SER 6 H SER 6 -0.554 -20.042 1.572 23 HA SER 6 HA SER 6 -2.687 -21.978 2.200 24 HB2 SER 6 1HB SER 6 0.110 -21.844 3.355 25 HB3 SER 6 2HB SER 6 -1.134 -23.011 3.805 26 HG SER 6 HG SER 6 0.556 -23.540 2.091 27 H GLY 7 H GLY 7 -3.145 -19.250 2.469 28 HA2 GLY 7 1HA GLY 7 -4.444 -18.753 4.663 29 HA3 GLY 7 2HA GLY 7 -2.823 -18.704 5.338 30 H THR 8 H THR 8 -5.268 -16.919 3.881 31 HA THR 8 HA THR 8 -3.592 -14.548 3.866 32 HB THR 8 HB THR 8 -5.083 -15.430 1.386 33 HG1 THR 8 HG1 THR 8 -3.029 -16.387 1.586 34 HG21 THR 8 3HG2 THR 8 -3.786 -12.826 2.141 35 HG22 THR 8 1HG2 THR 8 -5.396 -13.105 1.478 36 HG23 THR 8 2HG2 THR 8 -3.973 -13.311 0.456 37 H GLY 9 H GLY 9 -4.745 -12.621 4.094 38 HA2 GLY 9 1HA GLY 9 -7.100 -12.688 5.548 39 HA3 GLY 9 2HA GLY 9 -6.508 -11.274 4.688 40 H GLU 10 H GLU 10 -9.127 -13.148 5.045 41 HA GLU 10 HA GLU 10 -9.935 -13.360 2.279 42 HB2 GLU 10 1HB GLU 10 -11.555 -13.788 4.796 43 HB3 GLU 10 2HB GLU 10 -12.024 -14.257 3.168 44 HG2 GLU 10 1HG GLU 10 -9.473 -15.306 4.274 45 HG3 GLU 10 2HG GLU 10 -10.995 -15.988 4.845 46 H LYS 11 H LYS 11 -9.537 -10.765 4.074 47 HA LYS 11 HA LYS 11 -12.070 -9.445 3.840 48 HB2 LYS 11 1HB LYS 11 -9.303 -8.368 4.409 49 HB3 LYS 11 2HB LYS 11 -10.779 -7.414 4.493 50 HG2 LYS 11 1HG LYS 11 -10.357 -8.002 6.701 51 HG3 LYS 11 2HG LYS 11 -11.587 -9.157 6.183 52 HD2 LYS 11 1HD LYS 11 -10.027 -10.902 5.998 53 HD3 LYS 11 2HD LYS 11 -8.655 -9.790 6.015 54 HE2 LYS 11 1HE LYS 11 -10.491 -9.949 8.371 55 HE3 LYS 11 2HE LYS 11 -9.236 -11.167 8.147 56 HZ1 LYS 11 3HZ LYS 11 -8.212 -8.532 7.800 57 HZ2 LYS 11 1HZ LYS 11 -7.694 -9.755 8.849 58 HZ3 LYS 11 2HZ LYS 11 -8.936 -8.707 9.319 59 HA PRO 12 HA PRO 12 -11.803 -8.078 -0.336 60 HB2 PRO 12 1HB PRO 12 -13.433 -5.913 -0.190 61 HB3 PRO 12 2HB PRO 12 -14.037 -7.574 -0.157 62 HG2 PRO 12 1HG PRO 12 -13.563 -5.686 2.117 63 HG3 PRO 12 2HG PRO 12 -14.931 -6.778 1.836 64 HD2 PRO 12 1HD PRO 12 -12.917 -7.375 3.545 65 HD3 PRO 12 2HD PRO 12 -13.786 -8.618 2.622 66 H TYR 13 H TYR 13 -10.321 -6.568 2.189 67 HA TYR 13 HA TYR 13 -9.022 -4.651 0.395 68 HB2 TYR 13 1HB TYR 13 -9.919 -3.943 3.195 69 HB3 TYR 13 2HB TYR 13 -9.091 -2.885 2.058 70 HD1 TYR 13 HD2 TYR 13 -10.313 -2.377 -0.160 71 HD2 TYR 13 HD1 TYR 13 -12.248 -3.981 3.273 72 HE1 TYR 13 HE2 TYR 13 -12.481 -1.609 -1.031 73 HE2 TYR 13 HE1 TYR 13 -14.422 -3.219 2.411 74 HH TYR 13 HH TYR 13 -14.666 -1.171 -0.407 75 H GLU 14 H GLU 14 -6.865 -4.639 0.574 76 HA GLU 14 HA GLU 14 -5.532 -5.345 3.029 77 HB2 GLU 14 1HB GLU 14 -6.185 -7.506 1.648 78 HB3 GLU 14 2HB GLU 14 -4.765 -7.063 0.710 79 HG2 GLU 14 1HG GLU 14 -3.323 -7.394 2.492 80 HG3 GLU 14 2HG GLU 14 -4.612 -7.266 3.687 81 H CYS 15 H CYS 15 -3.354 -4.759 3.054 82 HA CYS 15 HA CYS 15 -2.631 -2.774 1.095 83 HB2 CYS 15 1HB CYS 15 -2.159 -2.374 3.456 84 HB3 CYS 15 2HB CYS 15 -1.143 -3.811 3.516 85 H LYS 16 H LYS 16 -1.562 -3.173 -0.714 86 HA LYS 16 HA LYS 16 -0.226 -5.728 -1.080 87 HB2 LYS 16 1HB LYS 16 -0.541 -3.484 -3.077 88 HB3 LYS 16 2HB LYS 16 -0.129 -5.160 -3.417 89 HG2 LYS 16 1HG LYS 16 -2.333 -5.191 -3.962 90 HG3 LYS 16 2HG LYS 16 -2.454 -5.603 -2.250 91 HD2 LYS 16 1HD LYS 16 -3.189 -3.475 -1.663 92 HD3 LYS 16 2HD LYS 16 -2.554 -2.744 -3.139 93 HE2 LYS 16 1HE LYS 16 -4.805 -4.742 -3.140 94 HE3 LYS 16 2HE LYS 16 -5.070 -3.004 -3.001 95 HZ1 LYS 16 3HZ LYS 16 -5.078 -4.196 -5.317 96 HZ2 LYS 16 1HZ LYS 16 -3.404 -3.979 -5.203 97 HZ3 LYS 16 2HZ LYS 16 -4.436 -2.641 -5.144 98 H GLU 17 H GLU 17 0.958 -3.813 0.741 99 HA GLU 17 HA GLU 17 3.517 -3.379 -0.653 100 HB2 GLU 17 1HB GLU 17 2.610 -1.657 1.637 101 HB3 GLU 17 2HB GLU 17 3.864 -1.334 0.448 102 HG2 GLU 17 1HG GLU 17 1.071 -1.630 -0.509 103 HG3 GLU 17 2HG GLU 17 1.513 -0.153 0.346 104 H CYS 18 H CYS 18 1.854 -4.284 2.292 105 HA CYS 18 HA CYS 18 4.344 -5.517 3.250 106 HB2 CYS 18 1HB CYS 18 3.838 -4.876 5.536 107 HB3 CYS 18 2HB CYS 18 3.909 -3.437 4.525 108 H GLY 19 H GLY 19 0.809 -5.441 3.406 109 HA2 GLY 19 1HA GLY 19 -0.350 -7.560 2.992 110 HA3 GLY 19 2HA GLY 19 0.879 -8.339 3.977 111 H LYS 20 H LYS 20 -1.530 -5.724 4.230 112 HA LYS 20 HA LYS 20 -2.318 -6.837 6.835 113 HB2 LYS 20 1HB LYS 20 -0.845 -4.635 6.792 114 HB3 LYS 20 2HB LYS 20 -2.393 -3.879 6.438 115 HG2 LYS 20 1HG LYS 20 -2.416 -3.724 8.700 116 HG3 LYS 20 2HG LYS 20 -3.159 -5.315 8.523 117 HD2 LYS 20 1HD LYS 20 -0.195 -5.169 8.707 118 HD3 LYS 20 2HD LYS 20 -1.132 -4.890 10.178 119 HE2 LYS 20 1HE LYS 20 -1.181 -7.327 8.405 120 HE3 LYS 20 2HE LYS 20 -0.584 -7.220 10.060 121 HZ1 LYS 20 3HZ LYS 20 -2.605 -7.804 10.713 122 HZ2 LYS 20 1HZ LYS 20 -3.224 -7.691 9.142 123 HZ3 LYS 20 2HZ LYS 20 -3.191 -6.324 10.137 124 H ALA 21 H ALA 21 -4.386 -7.388 6.790 125 HA ALA 21 HA ALA 21 -6.167 -6.133 4.836 126 HB1 ALA 21 3HB ALA 21 -6.418 -8.402 4.602 127 HB2 ALA 21 1HB ALA 21 -6.187 -8.716 6.322 128 HB3 ALA 21 2HB ALA 21 -7.713 -8.046 5.744 129 H PHE 22 H PHE 22 -7.957 -4.980 5.378 130 HA PHE 22 HA PHE 22 -8.508 -4.610 8.247 131 HB2 PHE 22 1HB PHE 22 -8.571 -2.450 6.129 132 HB3 PHE 22 2HB PHE 22 -8.939 -2.239 7.838 133 HD1 PHE 22 HD1 PHE 22 -6.247 -3.021 5.436 134 HD2 PHE 22 HD2 PHE 22 -7.230 -1.901 9.424 135 HE1 PHE 22 HE1 PHE 22 -3.877 -2.531 5.880 136 HE2 PHE 22 HE2 PHE 22 -4.862 -1.409 9.873 137 HZ PHE 22 HZ PHE 22 -3.181 -1.723 8.100 138 H SER 23 H SER 23 -10.569 -4.861 8.832 139 HA SER 23 HA SER 23 -12.503 -5.955 7.216 140 HB2 SER 23 1HB SER 23 -14.129 -5.336 8.964 141 HB3 SER 23 2HB SER 23 -12.642 -5.974 9.664 142 HG SER 23 HG SER 23 -13.783 -3.552 9.998 143 H GLN 24 H GLN 24 -11.942 -2.542 7.936 144 HA GLN 24 HA GLN 24 -13.969 -1.839 5.920 145 HB2 GLN 24 1HB GLN 24 -12.935 -0.358 8.327 146 HB3 GLN 24 2HB GLN 24 -13.792 0.470 7.034 147 HG2 GLN 24 1HG GLN 24 -15.783 -0.681 7.460 148 HG3 GLN 24 2HG GLN 24 -14.967 -1.905 8.431 149 HE21 GLN 24 1HE2 GLN 24 -16.906 0.726 8.577 150 HE22 GLN 24 2HE2 GLN 24 -16.586 1.240 10.195 151 H THR 25 H THR 25 -13.498 -0.138 4.436 152 HA THR 25 HA THR 25 -10.918 -0.293 3.304 153 HB THR 25 HB THR 25 -12.962 1.864 2.760 154 HG1 THR 25 HG1 THR 25 -13.856 -0.276 2.573 155 HG21 THR 25 3HG2 THR 25 -10.417 1.603 1.803 156 HG22 THR 25 1HG2 THR 25 -11.730 2.428 0.964 157 HG23 THR 25 2HG2 THR 25 -11.353 0.749 0.577 158 H THR 26 H THR 26 -12.555 2.392 4.983 159 HA THR 26 HA THR 26 -10.598 4.299 4.915 160 HB THR 26 HB THR 26 -12.795 4.701 5.920 161 HG1 THR 26 HG1 THR 26 -10.885 5.194 7.952 162 HG21 THR 26 3HG2 THR 26 -13.500 3.819 7.957 163 HG22 THR 26 1HG2 THR 26 -11.866 3.368 8.440 164 HG23 THR 26 2HG2 THR 26 -12.702 2.446 7.191 165 H HIS 27 H HIS 27 -10.832 1.558 7.140 166 HA HIS 27 HA HIS 27 -8.755 2.203 8.871 167 HB2 HIS 27 1HB HIS 27 -10.054 -0.338 8.010 168 HB3 HIS 27 2HB HIS 27 -8.536 -0.451 8.897 169 HD1 HIS 27 HD1 HIS 27 -8.984 -0.857 11.283 170 HD2 HIS 27 HD2 HIS 27 -11.823 1.668 9.599 171 HE1 HIS 27 HE1 HIS 27 -10.547 -0.257 13.159 172 H LEU 28 H LEU 28 -8.657 0.490 5.771 173 HA LEU 28 HA LEU 28 -5.889 -0.096 5.840 174 HB2 LEU 28 1HB LEU 28 -7.257 -1.356 4.378 175 HB3 LEU 28 2HB LEU 28 -7.890 0.097 3.606 176 HG LEU 28 HG LEU 28 -5.626 0.496 2.645 177 HD11 LEU 28 1HD1 LEU 28 -3.849 -0.759 3.136 178 HD12 LEU 28 2HD1 LEU 28 -4.763 -2.262 3.013 179 HD13 LEU 28 3HD1 LEU 28 -4.790 -1.333 4.513 180 HD21 LEU 28 3HD2 LEU 28 -6.642 -0.444 0.906 181 HD22 LEU 28 1HD2 LEU 28 -7.535 -1.552 1.948 182 HD23 LEU 28 2HD2 LEU 28 -5.916 -1.977 1.393 183 H ILE 29 H ILE 29 -7.696 2.418 4.070 184 HA ILE 29 HA ILE 29 -5.645 3.749 2.853 185 HB ILE 29 HB ILE 29 -8.088 4.943 4.163 186 HG12 ILE 29 1HG1 ILE 29 -7.543 4.379 1.245 187 HG13 ILE 29 2HG1 ILE 29 -8.385 3.255 2.306 188 HG21 ILE 29 1HG2 ILE 29 -7.688 6.880 2.662 189 HG22 ILE 29 2HG2 ILE 29 -6.460 6.690 3.912 190 HG23 ILE 29 3HG2 ILE 29 -6.117 6.192 2.255 191 HD11 ILE 29 3HD1 ILE 29 -9.273 5.901 1.262 192 HD12 ILE 29 1HD1 ILE 29 -10.118 4.353 1.272 193 HD13 ILE 29 2HD1 ILE 29 -9.946 5.273 2.767 194 H GLN 30 H GLN 30 -6.659 4.016 6.225 195 HA GLN 30 HA GLN 30 -4.871 6.138 6.872 196 HB2 GLN 30 1HB GLN 30 -6.260 4.134 8.657 197 HB3 GLN 30 2HB GLN 30 -5.412 5.567 9.221 198 HG2 GLN 30 1HG GLN 30 -7.773 5.632 7.358 199 HG3 GLN 30 2HG GLN 30 -7.885 5.796 9.110 200 HE21 GLN 30 1HE2 GLN 30 -8.933 7.838 8.225 201 HE22 GLN 30 2HE2 GLN 30 -7.900 9.213 8.059 202 H HIS 31 H HIS 31 -4.735 2.619 7.167 203 HA HIS 31 HA HIS 31 -2.447 2.312 8.672 204 HB2 HIS 31 1HB HIS 31 -3.459 0.295 8.220 205 HB3 HIS 31 2HB HIS 31 -3.747 0.695 6.529 206 HD1 HIS 31 HD1 HIS 31 -1.197 -0.773 8.822 207 HD2 HIS 31 HD2 HIS 31 -1.635 0.085 4.781 208 HE1 HIS 31 HE1 HIS 31 0.689 -1.975 7.671 209 H GLN 32 H GLN 32 -2.753 3.147 5.275 210 HA GLN 32 HA GLN 32 -0.188 2.728 4.363 211 HB2 GLN 32 1HB GLN 32 -2.060 5.007 3.703 212 HB3 GLN 32 2HB GLN 32 -0.618 4.603 2.781 213 HG2 GLN 32 1HG GLN 32 -2.837 2.636 3.236 214 HG3 GLN 32 2HG GLN 32 -2.832 3.768 1.885 215 HE21 GLN 32 1HE2 GLN 32 -2.621 0.782 2.090 216 HE22 GLN 32 2HE2 GLN 32 -1.223 0.381 1.159 217 H ARG 33 H ARG 33 -1.239 4.919 6.757 218 HA ARG 33 HA ARG 33 0.642 6.978 6.518 219 HB2 ARG 33 1HB ARG 33 -0.891 5.850 8.843 220 HB3 ARG 33 2HB ARG 33 0.282 7.138 9.078 221 HG2 ARG 33 1HG ARG 33 -0.957 8.536 7.483 222 HG3 ARG 33 2HG ARG 33 -2.150 7.247 7.306 223 HD2 ARG 33 1HD ARG 33 -2.355 7.414 9.879 224 HD3 ARG 33 2HD ARG 33 -1.576 8.983 9.678 225 HE ARG 33 HE ARG 33 -3.804 8.675 7.930 226 HH11 ARG 33 1HH1 ARG 33 -2.908 9.393 11.216 227 HH12 ARG 33 2HH1 ARG 33 -4.336 10.319 11.541 228 HH21 ARG 33 1HH2 ARG 33 -5.688 9.892 8.345 229 HH22 ARG 33 2HH2 ARG 33 -5.917 10.601 9.907 230 H VAL 34 H VAL 34 0.809 3.867 8.195 231 HA VAL 34 HA VAL 34 3.246 4.219 9.506 232 HB VAL 34 HB VAL 34 3.399 1.814 9.648 233 HG11 VAL 34 1HG1 VAL 34 0.893 1.350 10.266 234 HG12 VAL 34 2HG1 VAL 34 1.853 2.495 11.205 235 HG13 VAL 34 3HG1 VAL 34 0.723 3.082 9.985 236 HG21 VAL 34 3HG2 VAL 34 1.335 0.654 8.356 237 HG22 VAL 34 1HG2 VAL 34 1.738 1.939 7.217 238 HG23 VAL 34 2HG2 VAL 34 2.966 0.766 7.695 239 H HIS 35 H HIS 35 2.573 3.853 6.171 240 HA HIS 35 HA HIS 35 5.298 3.015 5.535 241 HB2 HIS 35 1HB HIS 35 2.874 3.464 3.784 242 HB3 HIS 35 2HB HIS 35 4.453 2.968 3.181 243 HD1 HIS 35 HD1 HIS 35 5.096 0.854 5.380 244 HD2 HIS 35 HD2 HIS 35 1.493 1.145 3.331 245 HE1 HIS 35 HE1 HIS 35 4.058 -1.432 5.517 246 H THR 36 H THR 36 3.487 5.851 5.899 247 HA THR 36 HA THR 36 5.434 7.384 4.303 248 HB THR 36 HB THR 36 2.960 7.532 3.670 249 HG1 THR 36 HG1 THR 36 4.398 9.900 4.353 250 HG21 THR 36 3HG2 THR 36 1.438 8.317 5.112 251 HG22 THR 36 1HG2 THR 36 2.493 9.629 5.635 252 HG23 THR 36 2HG2 THR 36 2.642 8.032 6.368 253 H GLY 37 H GLY 37 5.957 6.473 6.965 254 HA2 GLY 37 1HA GLY 37 6.161 9.092 8.308 255 HA3 GLY 37 2HA GLY 37 5.671 7.661 9.203 256 H GLU 38 H GLU 38 8.086 7.531 6.685 257 HA GLU 38 HA GLU 38 10.262 7.582 8.620 258 HB2 GLU 38 1HB GLU 38 9.659 5.263 8.706 259 HB3 GLU 38 2HB GLU 38 9.563 5.165 6.954 260 HG2 GLU 38 1HG GLU 38 11.583 4.166 7.368 261 HG3 GLU 38 2HG GLU 38 12.070 5.827 7.038 262 H LYS 39 H LYS 39 12.295 7.956 7.709 263 HA LYS 39 HA LYS 39 12.609 9.673 5.687 264 HB2 LYS 39 1HB LYS 39 14.403 7.461 6.619 265 HB3 LYS 39 2HB LYS 39 14.891 8.464 5.260 266 HG2 LYS 39 1HG LYS 39 14.775 10.448 6.631 267 HG3 LYS 39 2HG LYS 39 14.165 9.503 7.992 268 HD2 LYS 39 1HD LYS 39 16.788 8.831 6.705 269 HD3 LYS 39 2HD LYS 39 16.676 10.106 7.921 270 HE2 LYS 39 1HE LYS 39 15.911 8.588 9.571 271 HE3 LYS 39 2HE LYS 39 15.630 7.322 8.376 272 HZ1 LYS 39 3HZ LYS 39 18.022 7.979 9.783 273 HZ2 LYS 39 1HZ LYS 39 18.279 7.950 8.111 274 HZ3 LYS 39 2HZ LYS 39 17.646 6.590 8.893 275 HA PRO 40 HA PRO 40 11.468 7.776 1.883 276 HB2 PRO 40 1HB PRO 40 12.869 9.352 0.173 277 HB3 PRO 40 2HB PRO 40 11.413 9.901 1.012 278 HG2 PRO 40 1HG PRO 40 14.287 10.394 1.687 279 HG3 PRO 40 2HG PRO 40 12.922 11.525 1.714 280 HD2 PRO 40 1HD PRO 40 13.887 10.354 3.956 281 HD3 PRO 40 2HD PRO 40 12.172 10.769 3.758 282 H SER 41 H SER 41 14.927 8.529 2.273 283 HA SER 41 HA SER 41 16.795 7.506 1.419 284 HB2 SER 41 1HB SER 41 16.959 5.127 2.061 285 HB3 SER 41 2HB SER 41 16.273 6.104 3.359 286 HG SER 41 HG SER 41 15.220 3.976 2.189 287 H GLY 42 H GLY 42 14.937 8.083 -0.613 288 HA2 GLY 42 1HA GLY 42 15.829 6.204 -2.614 289 HA3 GLY 42 2HA GLY 42 14.095 6.159 -2.328 290 HA PRO 43 HA PRO 43 15.533 9.746 -5.185 291 HB2 PRO 43 1HB PRO 43 15.305 8.562 -7.618 292 HB3 PRO 43 2HB PRO 43 16.815 8.588 -6.700 293 HG2 PRO 43 1HG PRO 43 14.786 6.402 -6.946 294 HG3 PRO 43 2HG PRO 43 16.555 6.296 -6.988 295 HD2 PRO 43 1HD PRO 43 15.111 5.689 -4.779 296 HD3 PRO 43 2HD PRO 43 16.741 6.389 -4.693 297 H SER 44 H SER 44 13.200 7.176 -6.005 298 HA SER 44 HA SER 44 11.103 9.220 -6.161 299 HB2 SER 44 1HB SER 44 10.173 8.008 -8.177 300 HB3 SER 44 2HB SER 44 11.674 8.888 -8.463 301 HG SER 44 HG SER 44 11.302 6.462 -9.095 302 H SER 45 H SER 45 8.899 8.242 -6.142 303 HA SER 45 HA SER 45 8.674 5.551 -5.106 304 HB2 SER 45 1HB SER 45 8.196 7.979 -3.390 305 HB3 SER 45 2HB SER 45 7.363 6.457 -3.075 306 HG SER 45 HG SER 45 10.180 6.781 -3.228 307 H GLY 46 H GLY 46 6.367 4.961 -4.702 308 HA2 GLY 46 1HA GLY 46 4.033 5.917 -5.039 309 HA3 GLY 46 2HA GLY 46 4.648 6.418 -6.607 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -2.679 -15.867 -8.952 2 HA2 GLY 1 1HA GLY 1 0.072 -16.043 -8.187 3 HA3 GLY 1 2HA GLY 1 -0.852 -15.049 -7.070 4 H SER 2 H SER 2 -2.360 -15.999 -5.715 5 HA SER 2 HA SER 2 -2.960 -17.660 -4.250 6 HB2 SER 2 1HB SER 2 -3.675 -18.835 -6.942 7 HB3 SER 2 2HB SER 2 -4.189 -19.541 -5.411 8 HG SER 2 HG SER 2 -5.343 -17.589 -6.747 9 H SER 3 H SER 3 -0.222 -17.723 -4.678 10 HA SER 3 HA SER 3 0.522 -20.496 -5.156 11 HB2 SER 3 1HB SER 3 2.114 -17.985 -4.637 12 HB3 SER 3 2HB SER 3 2.863 -19.581 -4.691 13 HG SER 3 HG SER 3 2.877 -18.448 -6.723 14 H GLY 4 H GLY 4 0.967 -21.952 -3.613 15 HA2 GLY 4 1HA GLY 4 1.401 -22.852 -1.536 16 HA3 GLY 4 2HA GLY 4 1.827 -21.239 -0.983 17 H SER 5 H SER 5 -0.196 -23.708 -0.402 18 HA SER 5 HA SER 5 -2.762 -22.906 -0.210 19 HB2 SER 5 1HB SER 5 -2.946 -24.239 1.875 20 HB3 SER 5 2HB SER 5 -2.021 -25.072 0.626 21 HG SER 5 HG SER 5 -0.393 -25.099 1.938 22 H SER 6 H SER 6 -3.838 -21.253 0.630 23 HA SER 6 HA SER 6 -2.623 -19.774 2.871 24 HB2 SER 6 1HB SER 6 -2.373 -18.414 0.891 25 HB3 SER 6 2HB SER 6 -4.065 -18.655 0.457 26 HG SER 6 HG SER 6 -3.500 -17.562 2.963 27 H GLY 7 H GLY 7 -5.705 -20.133 1.100 28 HA2 GLY 7 1HA GLY 7 -7.329 -21.229 2.912 29 HA3 GLY 7 2HA GLY 7 -7.189 -19.596 3.544 30 H THR 8 H THR 8 -9.649 -20.218 3.023 31 HA THR 8 HA THR 8 -10.233 -19.092 0.361 32 HB THR 8 HB THR 8 -11.929 -21.000 1.983 33 HG1 THR 8 HG1 THR 8 -11.487 -22.182 -0.170 34 HG21 THR 8 3HG2 THR 8 -13.485 -19.696 0.842 35 HG22 THR 8 1HG2 THR 8 -13.212 -21.039 -0.267 36 HG23 THR 8 2HG2 THR 8 -12.430 -19.484 -0.555 37 H GLY 9 H GLY 9 -11.558 -17.351 0.225 38 HA2 GLY 9 1HA GLY 9 -13.048 -15.706 0.893 39 HA3 GLY 9 2HA GLY 9 -13.275 -16.571 2.405 40 H GLU 10 H GLU 10 -11.441 -14.138 0.731 41 HA GLU 10 HA GLU 10 -10.076 -13.455 3.250 42 HB2 GLU 10 1HB GLU 10 -9.315 -12.977 0.374 43 HB3 GLU 10 2HB GLU 10 -8.558 -12.102 1.697 44 HG2 GLU 10 1HG GLU 10 -8.523 -15.074 1.243 45 HG3 GLU 10 2HG GLU 10 -7.172 -13.954 1.071 46 H LYS 11 H LYS 11 -9.440 -10.942 3.087 47 HA LYS 11 HA LYS 11 -11.990 -9.565 3.116 48 HB2 LYS 11 1HB LYS 11 -9.237 -8.984 4.110 49 HB3 LYS 11 2HB LYS 11 -10.322 -7.630 3.826 50 HG2 LYS 11 1HG LYS 11 -10.489 -8.247 6.119 51 HG3 LYS 11 2HG LYS 11 -11.984 -8.733 5.315 52 HD2 LYS 11 1HD LYS 11 -11.537 -10.633 6.513 53 HD3 LYS 11 2HD LYS 11 -10.681 -11.007 5.015 54 HE2 LYS 11 1HE LYS 11 -9.234 -11.541 6.838 55 HE3 LYS 11 2HE LYS 11 -8.609 -10.087 6.062 56 HZ1 LYS 11 3HZ LYS 11 -9.273 -8.763 7.817 57 HZ2 LYS 11 1HZ LYS 11 -8.763 -10.167 8.611 58 HZ3 LYS 11 2HZ LYS 11 -10.413 -9.878 8.383 59 HA PRO 12 HA PRO 12 -11.597 -7.672 -0.839 60 HB2 PRO 12 1HB PRO 12 -13.178 -5.502 -0.439 61 HB3 PRO 12 2HB PRO 12 -13.822 -7.136 -0.637 62 HG2 PRO 12 1HG PRO 12 -13.353 -5.576 1.875 63 HG3 PRO 12 2HG PRO 12 -14.741 -6.586 1.427 64 HD2 PRO 12 1HD PRO 12 -12.780 -7.455 3.079 65 HD3 PRO 12 2HD PRO 12 -13.658 -8.542 1.984 66 H TYR 13 H TYR 13 -10.397 -6.318 2.021 67 HA TYR 13 HA TYR 13 -8.934 -4.281 0.480 68 HB2 TYR 13 1HB TYR 13 -9.804 -3.943 3.353 69 HB3 TYR 13 2HB TYR 13 -9.058 -2.735 2.312 70 HD1 TYR 13 HD2 TYR 13 -10.409 -2.159 0.129 71 HD2 TYR 13 HD1 TYR 13 -12.105 -3.935 3.604 72 HE1 TYR 13 HE2 TYR 13 -12.635 -1.375 -0.564 73 HE2 TYR 13 HE1 TYR 13 -14.336 -3.158 2.920 74 HH TYR 13 HH TYR 13 -15.044 -0.928 1.150 75 H GLU 14 H GLU 14 -6.807 -4.540 0.547 76 HA GLU 14 HA GLU 14 -5.544 -5.626 2.944 77 HB2 GLU 14 1HB GLU 14 -6.091 -7.424 1.104 78 HB3 GLU 14 2HB GLU 14 -4.682 -6.741 0.305 79 HG2 GLU 14 1HG GLU 14 -3.356 -7.194 2.339 80 HG3 GLU 14 2HG GLU 14 -4.769 -7.974 3.048 81 H CYS 15 H CYS 15 -3.379 -5.041 3.200 82 HA CYS 15 HA CYS 15 -2.619 -2.644 1.789 83 HB2 CYS 15 1HB CYS 15 -2.308 -3.046 4.279 84 HB3 CYS 15 2HB CYS 15 -0.990 -4.130 3.849 85 H LYS 16 H LYS 16 -1.297 -2.509 0.102 86 HA LYS 16 HA LYS 16 0.057 -4.928 -0.817 87 HB2 LYS 16 1HB LYS 16 -0.575 -2.292 -2.135 88 HB3 LYS 16 2HB LYS 16 0.477 -3.487 -2.882 89 HG2 LYS 16 1HG LYS 16 -2.290 -4.200 -1.983 90 HG3 LYS 16 2HG LYS 16 -1.993 -3.450 -3.553 91 HD2 LYS 16 1HD LYS 16 -0.509 -5.908 -2.673 92 HD3 LYS 16 2HD LYS 16 -2.092 -6.009 -3.449 93 HE2 LYS 16 1HE LYS 16 -1.139 -4.635 -5.327 94 HE3 LYS 16 2HE LYS 16 0.444 -4.839 -4.578 95 HZ1 LYS 16 3HZ LYS 16 -0.412 -7.366 -4.685 96 HZ2 LYS 16 1HZ LYS 16 0.525 -6.639 -5.892 97 HZ3 LYS 16 2HZ LYS 16 -1.154 -6.738 -6.070 98 H GLU 17 H GLU 17 1.019 -3.283 1.462 99 HA GLU 17 HA GLU 17 3.677 -2.608 0.381 100 HB2 GLU 17 1HB GLU 17 2.608 -1.393 2.908 101 HB3 GLU 17 2HB GLU 17 3.886 -0.805 1.853 102 HG2 GLU 17 1HG GLU 17 1.096 -0.973 0.821 103 HG3 GLU 17 2HG GLU 17 1.557 0.355 1.885 104 H CYS 18 H CYS 18 1.840 -4.056 2.998 105 HA CYS 18 HA CYS 18 4.291 -5.432 3.868 106 HB2 CYS 18 1HB CYS 18 3.542 -5.303 6.189 107 HB3 CYS 18 2HB CYS 18 3.705 -3.688 5.507 108 H GLY 19 H GLY 19 0.757 -5.474 3.711 109 HA2 GLY 19 1HA GLY 19 -0.294 -7.478 2.796 110 HA3 GLY 19 2HA GLY 19 0.901 -8.424 3.672 111 H LYS 20 H LYS 20 -1.507 -5.897 4.416 112 HA LYS 20 HA LYS 20 -2.501 -7.622 6.581 113 HB2 LYS 20 1HB LYS 20 -1.017 -5.745 7.413 114 HB3 LYS 20 2HB LYS 20 -2.235 -4.624 6.820 115 HG2 LYS 20 1HG LYS 20 -3.858 -5.458 8.352 116 HG3 LYS 20 2HG LYS 20 -2.804 -6.792 8.827 117 HD2 LYS 20 1HD LYS 20 -1.156 -4.895 9.504 118 HD3 LYS 20 2HD LYS 20 -2.601 -3.882 9.495 119 HE2 LYS 20 1HE LYS 20 -2.175 -6.391 11.115 120 HE3 LYS 20 2HE LYS 20 -2.179 -4.738 11.727 121 HZ1 LYS 20 3HZ LYS 20 -4.290 -5.815 12.141 122 HZ2 LYS 20 1HZ LYS 20 -4.488 -6.140 10.492 123 HZ3 LYS 20 2HZ LYS 20 -4.498 -4.542 11.046 124 H ALA 21 H ALA 21 -4.636 -7.915 6.551 125 HA ALA 21 HA ALA 21 -6.228 -6.296 4.699 126 HB1 ALA 21 3HB ALA 21 -6.866 -8.356 4.097 127 HB2 ALA 21 1HB ALA 21 -6.303 -9.075 5.606 128 HB3 ALA 21 2HB ALA 21 -7.886 -8.298 5.535 129 H PHE 22 H PHE 22 -7.961 -5.100 5.327 130 HA PHE 22 HA PHE 22 -8.541 -5.011 8.215 131 HB2 PHE 22 1HB PHE 22 -8.677 -2.680 6.294 132 HB3 PHE 22 2HB PHE 22 -8.912 -2.626 8.038 133 HD1 PHE 22 HD1 PHE 22 -6.347 -3.712 5.556 134 HD2 PHE 22 HD2 PHE 22 -7.156 -1.923 9.333 135 HE1 PHE 22 HE1 PHE 22 -3.945 -3.276 5.860 136 HE2 PHE 22 HE2 PHE 22 -4.755 -1.484 9.642 137 HZ PHE 22 HZ PHE 22 -3.146 -2.160 7.904 138 H SER 23 H SER 23 -10.679 -4.723 8.850 139 HA SER 23 HA SER 23 -12.639 -5.905 7.219 140 HB2 SER 23 1HB SER 23 -12.726 -5.903 9.694 141 HB3 SER 23 2HB SER 23 -13.050 -4.170 9.668 142 HG SER 23 HG SER 23 -15.027 -5.059 9.758 143 H GLN 24 H GLN 24 -11.924 -2.527 7.964 144 HA GLN 24 HA GLN 24 -13.961 -1.708 6.006 145 HB2 GLN 24 1HB GLN 24 -12.785 -0.359 8.411 146 HB3 GLN 24 2HB GLN 24 -13.483 0.606 7.117 147 HG2 GLN 24 1HG GLN 24 -15.557 -0.868 7.396 148 HG3 GLN 24 2HG GLN 24 -14.832 -1.361 8.926 149 HE21 GLN 24 1HE2 GLN 24 -16.476 -0.436 10.132 150 HE22 GLN 24 2HE2 GLN 24 -16.640 1.274 10.315 151 H THR 25 H THR 25 -13.447 -0.109 4.452 152 HA THR 25 HA THR 25 -10.846 -0.385 3.331 153 HB THR 25 HB THR 25 -12.731 -0.080 1.853 154 HG1 THR 25 HG1 THR 25 -11.907 1.869 0.718 155 HG21 THR 25 3HG2 THR 25 -14.158 1.259 3.310 156 HG22 THR 25 1HG2 THR 25 -13.955 2.049 1.747 157 HG23 THR 25 2HG2 THR 25 -13.058 2.628 3.151 158 H THR 26 H THR 26 -12.502 2.183 5.102 159 HA THR 26 HA THR 26 -10.586 4.202 4.765 160 HB THR 26 HB THR 26 -12.733 4.804 5.630 161 HG1 THR 26 HG1 THR 26 -10.635 5.756 6.569 162 HG21 THR 26 3HG2 THR 26 -13.297 2.709 6.748 163 HG22 THR 26 1HG2 THR 26 -13.517 4.074 7.842 164 HG23 THR 26 2HG2 THR 26 -12.098 3.038 7.998 165 H HIS 27 H HIS 27 -10.728 1.476 6.949 166 HA HIS 27 HA HIS 27 -8.763 2.336 8.786 167 HB2 HIS 27 1HB HIS 27 -10.459 0.323 8.866 168 HB3 HIS 27 2HB HIS 27 -9.121 -0.564 8.142 169 HD1 HIS 27 HD1 HIS 27 -10.177 -1.214 10.982 170 HD2 HIS 27 HD2 HIS 27 -6.955 1.280 10.173 171 HE1 HIS 27 HE1 HIS 27 -8.788 -1.210 13.078 172 H LEU 28 H LEU 28 -8.578 0.466 5.790 173 HA LEU 28 HA LEU 28 -5.804 -0.103 5.977 174 HB2 LEU 28 1HB LEU 28 -7.173 -1.464 4.580 175 HB3 LEU 28 2HB LEU 28 -7.719 -0.066 3.657 176 HG LEU 28 HG LEU 28 -5.430 0.188 2.756 177 HD11 LEU 28 1HD1 LEU 28 -4.418 -1.048 4.768 178 HD12 LEU 28 2HD1 LEU 28 -3.715 -1.326 3.175 179 HD13 LEU 28 3HD1 LEU 28 -4.807 -2.520 3.877 180 HD21 LEU 28 3HD2 LEU 28 -7.267 -1.177 1.664 181 HD22 LEU 28 1HD2 LEU 28 -6.436 -2.605 2.282 182 HD23 LEU 28 2HD2 LEU 28 -5.616 -1.528 1.151 183 H ILE 29 H ILE 29 -7.637 2.611 4.805 184 HA ILE 29 HA ILE 29 -5.573 3.800 3.252 185 HB ILE 29 HB ILE 29 -8.050 4.976 4.508 186 HG12 ILE 29 1HG1 ILE 29 -7.322 4.004 1.752 187 HG13 ILE 29 2HG1 ILE 29 -8.668 3.501 2.769 188 HG21 ILE 29 1HG2 ILE 29 -6.410 6.736 4.303 189 HG22 ILE 29 2HG2 ILE 29 -6.071 6.269 2.638 190 HG23 ILE 29 3HG2 ILE 29 -7.647 6.938 3.062 191 HD11 ILE 29 3HD1 ILE 29 -9.370 6.022 2.491 192 HD12 ILE 29 1HD1 ILE 29 -8.384 5.889 1.035 193 HD13 ILE 29 2HD1 ILE 29 -9.762 4.812 1.269 194 H GLN 30 H GLN 30 -6.650 4.188 6.600 195 HA GLN 30 HA GLN 30 -4.841 6.303 7.205 196 HB2 GLN 30 1HB GLN 30 -6.523 4.450 8.870 197 HB3 GLN 30 2HB GLN 30 -5.387 5.563 9.621 198 HG2 GLN 30 1HG GLN 30 -6.543 7.418 8.393 199 HG3 GLN 30 2HG GLN 30 -7.768 6.242 7.919 200 HE21 GLN 30 1HE2 GLN 30 -9.441 5.994 9.220 201 HE22 GLN 30 2HE2 GLN 30 -9.528 6.503 10.868 202 H HIS 31 H HIS 31 -4.708 2.804 7.419 203 HA HIS 31 HA HIS 31 -2.355 2.649 8.996 204 HB2 HIS 31 1HB HIS 31 -3.558 0.664 8.987 205 HB3 HIS 31 2HB HIS 31 -3.865 0.738 7.254 206 HD1 HIS 31 HD1 HIS 31 -1.241 -0.265 9.742 207 HD2 HIS 31 HD2 HIS 31 -1.936 -0.456 5.651 208 HE1 HIS 31 HE1 HIS 31 0.522 -1.810 8.833 209 H GLN 32 H GLN 32 -2.940 3.226 5.639 210 HA GLN 32 HA GLN 32 -0.481 2.402 4.562 211 HB2 GLN 32 1HB GLN 32 -2.515 4.446 3.707 212 HB3 GLN 32 2HB GLN 32 -1.033 4.194 2.794 213 HG2 GLN 32 1HG GLN 32 -2.701 1.827 3.449 214 HG3 GLN 32 2HG GLN 32 -3.262 2.933 2.196 215 HE21 GLN 32 1HE2 GLN 32 -2.674 0.344 1.583 216 HE22 GLN 32 2HE2 GLN 32 -1.243 0.277 0.618 217 H ARG 33 H ARG 33 -1.255 4.998 6.624 218 HA ARG 33 HA ARG 33 0.636 6.921 5.863 219 HB2 ARG 33 1HB ARG 33 -0.642 6.262 8.510 220 HB3 ARG 33 2HB ARG 33 0.506 7.583 8.336 221 HG2 ARG 33 1HG ARG 33 -0.966 8.577 6.612 222 HG3 ARG 33 2HG ARG 33 -2.138 7.296 6.928 223 HD2 ARG 33 1HD ARG 33 -2.202 8.029 9.305 224 HD3 ARG 33 2HD ARG 33 -1.160 9.383 8.870 225 HE ARG 33 HE ARG 33 -3.598 9.168 7.332 226 HH11 ARG 33 1HH1 ARG 33 -2.032 10.530 10.127 227 HH12 ARG 33 2HH1 ARG 33 -3.155 11.839 10.281 228 HH21 ARG 33 1HH2 ARG 33 -5.084 10.888 7.524 229 HH22 ARG 33 2HH2 ARG 33 -4.892 12.042 8.801 230 H VAL 34 H VAL 34 0.961 3.926 7.596 231 HA VAL 34 HA VAL 34 3.521 4.478 8.738 232 HB VAL 34 HB VAL 34 3.630 2.064 9.191 233 HG11 VAL 34 1HG1 VAL 34 1.225 2.000 10.336 234 HG12 VAL 34 2HG1 VAL 34 2.534 3.019 10.939 235 HG13 VAL 34 3HG1 VAL 34 1.275 3.712 9.916 236 HG21 VAL 34 3HG2 VAL 34 2.587 0.620 7.864 237 HG22 VAL 34 1HG2 VAL 34 1.037 1.226 8.448 238 HG23 VAL 34 2HG2 VAL 34 1.783 1.942 7.019 239 H HIS 35 H HIS 35 2.521 3.887 5.596 240 HA HIS 35 HA HIS 35 5.191 2.900 4.832 241 HB2 HIS 35 1HB HIS 35 2.562 2.569 3.371 242 HB3 HIS 35 2HB HIS 35 4.126 2.014 2.782 243 HD1 HIS 35 HD1 HIS 35 5.334 0.440 4.899 244 HD2 HIS 35 HD2 HIS 35 1.213 0.470 4.376 245 HE1 HIS 35 HE1 HIS 35 4.501 -1.662 6.000 246 H THR 36 H THR 36 4.188 5.687 5.285 247 HA THR 36 HA THR 36 4.925 6.759 2.643 248 HB THR 36 HB THR 36 3.389 8.572 2.848 249 HG1 THR 36 HG1 THR 36 3.129 7.637 5.496 250 HG21 THR 36 3HG2 THR 36 1.487 6.561 3.802 251 HG22 THR 36 1HG2 THR 36 2.567 5.977 2.537 252 HG23 THR 36 2HG2 THR 36 1.565 7.401 2.254 253 H GLY 37 H GLY 37 6.828 6.262 4.555 254 HA2 GLY 37 1HA GLY 37 7.652 8.997 5.227 255 HA3 GLY 37 2HA GLY 37 7.638 7.793 6.506 256 H GLU 38 H GLU 38 9.833 7.823 6.887 257 HA GLU 38 HA GLU 38 11.501 6.762 4.702 258 HB2 GLU 38 1HB GLU 38 12.201 8.788 6.824 259 HB3 GLU 38 2HB GLU 38 13.416 7.948 5.871 260 HG2 GLU 38 1HG GLU 38 12.041 8.843 3.847 261 HG3 GLU 38 2HG GLU 38 11.434 10.006 5.025 262 H LYS 39 H LYS 39 11.410 4.626 5.271 263 HA LYS 39 HA LYS 39 12.327 3.921 7.978 264 HB2 LYS 39 1HB LYS 39 10.596 2.463 5.993 265 HB3 LYS 39 2HB LYS 39 11.366 1.625 7.335 266 HG2 LYS 39 1HG LYS 39 10.226 3.194 8.889 267 HG3 LYS 39 2HG LYS 39 9.362 3.865 7.504 268 HD2 LYS 39 1HD LYS 39 7.861 2.303 8.342 269 HD3 LYS 39 2HD LYS 39 8.670 1.412 7.051 270 HE2 LYS 39 1HE LYS 39 9.874 0.108 8.526 271 HE3 LYS 39 2HE LYS 39 9.759 1.292 9.828 272 HZ1 LYS 39 3HZ LYS 39 7.490 -0.335 8.816 273 HZ2 LYS 39 1HZ LYS 39 7.454 0.733 10.129 274 HZ3 LYS 39 2HZ LYS 39 8.379 -0.681 10.213 275 HA PRO 40 HA PRO 40 16.053 2.205 6.413 276 HB2 PRO 40 1HB PRO 40 16.434 0.126 8.117 277 HB3 PRO 40 2HB PRO 40 16.651 1.814 8.597 278 HG2 PRO 40 1HG PRO 40 14.312 0.001 9.050 279 HG3 PRO 40 2HG PRO 40 15.075 1.144 10.171 280 HD2 PRO 40 1HD PRO 40 12.787 1.716 8.841 281 HD3 PRO 40 2HD PRO 40 13.982 2.959 9.262 282 H SER 41 H SER 41 13.122 0.574 6.206 283 HA SER 41 HA SER 41 14.313 -1.703 4.779 284 HB2 SER 41 1HB SER 41 12.709 -2.187 6.645 285 HB3 SER 41 2HB SER 41 11.449 -1.386 5.706 286 HG SER 41 HG SER 41 12.964 -3.610 4.802 287 H GLY 42 H GLY 42 13.594 -2.268 2.702 288 HA2 GLY 42 1HA GLY 42 12.562 0.013 1.178 289 HA3 GLY 42 2HA GLY 42 13.395 -1.383 0.511 290 HA PRO 43 HA PRO 43 8.823 -1.806 -0.270 291 HB2 PRO 43 1HB PRO 43 9.068 -2.302 -2.928 292 HB3 PRO 43 2HB PRO 43 8.946 -0.669 -2.263 293 HG2 PRO 43 1HG PRO 43 11.378 -2.186 -3.129 294 HG3 PRO 43 2HG PRO 43 10.956 -0.488 -3.419 295 HD2 PRO 43 1HD PRO 43 12.697 -1.248 -1.488 296 HD3 PRO 43 2HD PRO 43 11.644 0.172 -1.320 297 H SER 44 H SER 44 7.881 -3.693 -1.787 298 HA SER 44 HA SER 44 9.492 -6.098 -1.710 299 HB2 SER 44 1HB SER 44 7.158 -5.647 0.132 300 HB3 SER 44 2HB SER 44 7.572 -7.273 -0.413 301 HG SER 44 HG SER 44 9.822 -6.452 0.334 302 H SER 45 H SER 45 8.103 -8.026 -2.459 303 HA SER 45 HA SER 45 7.101 -7.473 -5.001 304 HB2 SER 45 1HB SER 45 7.936 -9.705 -4.108 305 HB3 SER 45 2HB SER 45 6.346 -9.903 -3.372 306 HG SER 45 HG SER 45 6.912 -10.667 -5.707 307 H GLY 46 H GLY 46 4.891 -7.949 -5.809 308 HA2 GLY 46 1HA GLY 46 2.945 -6.587 -4.108 309 HA3 GLY 46 2HA GLY 46 2.784 -6.895 -5.830 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.938 -28.552 -9.452 2 HA2 GLY 1 1HA GLY 1 0.348 -27.853 -9.524 3 HA3 GLY 1 2HA GLY 1 0.305 -29.241 -8.447 4 H SER 2 H SER 2 -0.548 -26.850 -7.505 5 HA SER 2 HA SER 2 1.461 -26.282 -5.465 6 HB2 SER 2 1HB SER 2 0.085 -24.088 -7.034 7 HB3 SER 2 2HB SER 2 1.201 -23.861 -5.688 8 HG SER 2 HG SER 2 2.846 -24.714 -6.943 9 H SER 3 H SER 3 0.594 -25.346 -3.541 10 HA SER 3 HA SER 3 -2.339 -25.500 -3.328 11 HB2 SER 3 1HB SER 3 -2.164 -26.613 -1.195 12 HB3 SER 3 2HB SER 3 -1.212 -27.525 -2.366 13 HG SER 3 HG SER 3 -0.413 -26.212 -0.109 14 H GLY 4 H GLY 4 0.649 -24.304 -1.820 15 HA2 GLY 4 1HA GLY 4 1.107 -22.278 -0.830 16 HA3 GLY 4 2HA GLY 4 -0.413 -21.686 -1.484 17 H SER 5 H SER 5 1.106 -21.768 1.265 18 HA SER 5 HA SER 5 -1.298 -22.421 2.841 19 HB2 SER 5 1HB SER 5 0.517 -24.027 3.277 20 HB3 SER 5 2HB SER 5 1.594 -22.696 3.701 21 HG SER 5 HG SER 5 0.063 -23.985 5.331 22 H SER 6 H SER 6 -2.197 -20.693 3.721 23 HA SER 6 HA SER 6 -0.677 -18.720 5.121 24 HB2 SER 6 1HB SER 6 -1.741 -18.109 2.389 25 HB3 SER 6 2HB SER 6 -1.753 -16.843 3.617 26 HG SER 6 HG SER 6 0.539 -18.346 2.881 27 H GLY 7 H GLY 7 -1.881 -18.020 6.764 28 HA2 GLY 7 1HA GLY 7 -4.717 -18.669 6.792 29 HA3 GLY 7 2HA GLY 7 -3.759 -18.115 8.158 30 H THR 8 H THR 8 -4.053 -16.594 4.981 31 HA THR 8 HA THR 8 -5.809 -14.532 5.993 32 HB THR 8 HB THR 8 -4.214 -12.691 5.343 33 HG1 THR 8 HG1 THR 8 -2.112 -14.515 5.750 34 HG21 THR 8 3HG2 THR 8 -4.673 -13.309 7.695 35 HG22 THR 8 1HG2 THR 8 -3.035 -12.699 7.462 36 HG23 THR 8 2HG2 THR 8 -3.314 -14.431 7.642 37 H GLY 9 H GLY 9 -6.545 -13.069 4.329 38 HA2 GLY 9 1HA GLY 9 -6.354 -12.421 1.948 39 HA3 GLY 9 2HA GLY 9 -6.079 -14.123 1.607 40 H GLU 10 H GLU 10 -8.476 -12.691 3.784 41 HA GLU 10 HA GLU 10 -10.592 -13.636 1.971 42 HB2 GLU 10 1HB GLU 10 -10.235 -14.192 4.894 43 HB3 GLU 10 2HB GLU 10 -11.853 -14.119 4.212 44 HG2 GLU 10 1HG GLU 10 -11.564 -16.013 2.956 45 HG3 GLU 10 2HG GLU 10 -9.812 -15.834 2.892 46 H LYS 11 H LYS 11 -9.426 -10.973 2.480 47 HA LYS 11 HA LYS 11 -11.876 -9.615 3.395 48 HB2 LYS 11 1HB LYS 11 -9.003 -8.762 3.781 49 HB3 LYS 11 2HB LYS 11 -10.389 -7.733 4.118 50 HG2 LYS 11 1HG LYS 11 -9.904 -8.568 6.200 51 HG3 LYS 11 2HG LYS 11 -11.140 -9.699 5.644 52 HD2 LYS 11 1HD LYS 11 -9.403 -11.274 4.965 53 HD3 LYS 11 2HD LYS 11 -8.157 -10.138 5.489 54 HE2 LYS 11 1HE LYS 11 -8.301 -11.540 7.312 55 HE3 LYS 11 2HE LYS 11 -9.412 -10.250 7.771 56 HZ1 LYS 11 3HZ LYS 11 -10.969 -11.789 7.998 57 HZ2 LYS 11 1HZ LYS 11 -9.944 -13.000 7.409 58 HZ3 LYS 11 2HZ LYS 11 -10.893 -12.100 6.337 59 HA PRO 12 HA PRO 12 -12.001 -7.702 -0.565 60 HB2 PRO 12 1HB PRO 12 -13.407 -5.465 0.060 61 HB3 PRO 12 2HB PRO 12 -14.145 -7.069 -0.030 62 HG2 PRO 12 1HG PRO 12 -13.233 -5.536 2.374 63 HG3 PRO 12 2HG PRO 12 -14.715 -6.482 2.146 64 HD2 PRO 12 1HD PRO 12 -12.566 -7.440 3.486 65 HD3 PRO 12 2HD PRO 12 -13.646 -8.486 2.542 66 H TYR 13 H TYR 13 -10.406 -6.322 2.116 67 HA TYR 13 HA TYR 13 -8.955 -4.503 0.323 68 HB2 TYR 13 1HB TYR 13 -9.683 -3.755 3.155 69 HB3 TYR 13 2HB TYR 13 -8.970 -2.727 1.918 70 HD1 TYR 13 HD2 TYR 13 -10.370 -2.063 -0.067 71 HD2 TYR 13 HD1 TYR 13 -12.027 -3.983 3.350 72 HE1 TYR 13 HE2 TYR 13 -12.612 -1.307 -0.737 73 HE2 TYR 13 HE1 TYR 13 -14.274 -3.233 2.688 74 HH TYR 13 HH TYR 13 -15.495 -2.281 1.070 75 H GLU 14 H GLU 14 -6.815 -4.720 0.441 76 HA GLU 14 HA GLU 14 -5.554 -5.625 2.902 77 HB2 GLU 14 1HB GLU 14 -6.210 -7.601 1.301 78 HB3 GLU 14 2HB GLU 14 -4.800 -7.072 0.393 79 HG2 GLU 14 1HG GLU 14 -3.482 -7.287 2.521 80 HG3 GLU 14 2HG GLU 14 -4.897 -8.067 3.226 81 H CYS 15 H CYS 15 -3.550 -4.798 3.184 82 HA CYS 15 HA CYS 15 -2.679 -2.711 1.468 83 HB2 CYS 15 1HB CYS 15 -2.279 -2.680 3.895 84 HB3 CYS 15 2HB CYS 15 -1.216 -4.075 3.738 85 H LYS 16 H LYS 16 -1.636 -2.924 -0.387 86 HA LYS 16 HA LYS 16 -0.264 -5.404 -1.023 87 HB2 LYS 16 1HB LYS 16 -1.817 -3.899 -2.556 88 HB3 LYS 16 2HB LYS 16 -0.301 -3.070 -2.884 89 HG2 LYS 16 1HG LYS 16 0.534 -5.550 -3.298 90 HG3 LYS 16 2HG LYS 16 -1.180 -5.797 -3.641 91 HD2 LYS 16 1HD LYS 16 0.277 -3.497 -4.880 92 HD3 LYS 16 2HD LYS 16 0.443 -5.117 -5.563 93 HE2 LYS 16 1HE LYS 16 -2.266 -3.979 -4.988 94 HE3 LYS 16 2HE LYS 16 -1.407 -3.533 -6.461 95 HZ1 LYS 16 3HZ LYS 16 -2.997 -5.670 -6.237 96 HZ2 LYS 16 1HZ LYS 16 -1.493 -6.371 -5.906 97 HZ3 LYS 16 2HZ LYS 16 -1.738 -5.544 -7.360 98 H GLU 17 H GLU 17 0.967 -3.917 1.021 99 HA GLU 17 HA GLU 17 3.515 -3.272 -0.290 100 HB2 GLU 17 1HB GLU 17 2.391 -1.709 2.037 101 HB3 GLU 17 2HB GLU 17 3.878 -1.379 1.158 102 HG2 GLU 17 1HG GLU 17 2.197 -1.228 -0.882 103 HG3 GLU 17 2HG GLU 17 1.065 -0.830 0.410 104 H CYS 18 H CYS 18 1.820 -4.218 2.654 105 HA CYS 18 HA CYS 18 4.281 -5.571 3.545 106 HB2 CYS 18 1HB CYS 18 3.732 -5.097 5.837 107 HB3 CYS 18 2HB CYS 18 3.686 -3.580 4.944 108 H GLY 19 H GLY 19 0.742 -5.582 3.551 109 HA2 GLY 19 1HA GLY 19 -0.346 -7.684 2.924 110 HA3 GLY 19 2HA GLY 19 0.860 -8.514 3.896 111 H LYS 20 H LYS 20 -1.491 -5.867 4.345 112 HA LYS 20 HA LYS 20 -2.465 -7.270 6.739 113 HB2 LYS 20 1HB LYS 20 -0.905 -5.277 7.203 114 HB3 LYS 20 2HB LYS 20 -2.226 -4.271 6.625 115 HG2 LYS 20 1HG LYS 20 -3.599 -4.822 8.413 116 HG3 LYS 20 2HG LYS 20 -2.674 -6.276 8.799 117 HD2 LYS 20 1HD LYS 20 -0.869 -4.988 9.673 118 HD3 LYS 20 2HD LYS 20 -1.566 -3.486 9.061 119 HE2 LYS 20 1HE LYS 20 -2.038 -3.523 11.372 120 HE3 LYS 20 2HE LYS 20 -3.547 -3.948 10.565 121 HZ1 LYS 20 3HZ LYS 20 -2.698 -5.328 12.583 122 HZ2 LYS 20 1HZ LYS 20 -1.738 -6.096 11.421 123 HZ3 LYS 20 2HZ LYS 20 -3.422 -6.107 11.268 124 H ALA 21 H ALA 21 -4.576 -7.631 6.647 125 HA ALA 21 HA ALA 21 -6.191 -6.101 4.739 126 HB1 ALA 21 3HB ALA 21 -7.660 -8.238 5.918 127 HB2 ALA 21 1HB ALA 21 -7.123 -8.051 4.248 128 HB3 ALA 21 2HB ALA 21 -6.075 -8.839 5.428 129 H PHE 22 H PHE 22 -7.904 -4.872 5.334 130 HA PHE 22 HA PHE 22 -8.489 -4.702 8.218 131 HB2 PHE 22 1HB PHE 22 -8.455 -2.489 6.158 132 HB3 PHE 22 2HB PHE 22 -9.036 -2.300 7.809 133 HD1 PHE 22 HD1 PHE 22 -6.074 -2.878 5.714 134 HD2 PHE 22 HD2 PHE 22 -7.524 -2.106 9.641 135 HE1 PHE 22 HE1 PHE 22 -3.785 -2.365 6.455 136 HE2 PHE 22 HE2 PHE 22 -5.237 -1.592 10.388 137 HZ PHE 22 HZ PHE 22 -3.364 -1.720 8.794 138 H SER 23 H SER 23 -10.535 -5.022 8.814 139 HA SER 23 HA SER 23 -12.488 -6.010 7.130 140 HB2 SER 23 1HB SER 23 -14.097 -5.423 8.995 141 HB3 SER 23 2HB SER 23 -12.693 -6.370 9.487 142 HG SER 23 HG SER 23 -12.457 -3.599 9.595 143 H GLN 24 H GLN 24 -11.504 -2.768 7.579 144 HA GLN 24 HA GLN 24 -13.776 -1.856 5.947 145 HB2 GLN 24 1HB GLN 24 -12.658 -0.703 8.454 146 HB3 GLN 24 2HB GLN 24 -13.212 0.414 7.215 147 HG2 GLN 24 1HG GLN 24 -15.410 -0.266 7.394 148 HG3 GLN 24 2HG GLN 24 -14.978 -1.819 8.106 149 HE21 GLN 24 1HE2 GLN 24 -16.289 1.110 8.743 150 HE22 GLN 24 2HE2 GLN 24 -16.013 1.194 10.446 151 H THR 25 H THR 25 -13.332 -0.358 4.349 152 HA THR 25 HA THR 25 -10.748 -0.434 3.218 153 HB THR 25 HB THR 25 -12.722 -0.128 1.822 154 HG1 THR 25 HG1 THR 25 -11.140 0.728 0.670 155 HG21 THR 25 3HG2 THR 25 -12.999 2.722 2.631 156 HG22 THR 25 1HG2 THR 25 -13.725 1.492 3.664 157 HG23 THR 25 2HG2 THR 25 -14.202 1.614 1.971 158 H THR 26 H THR 26 -12.480 2.078 5.019 159 HA THR 26 HA THR 26 -10.604 4.131 4.757 160 HB THR 26 HB THR 26 -12.798 4.611 5.638 161 HG1 THR 26 HG1 THR 26 -10.697 5.047 7.512 162 HG21 THR 26 3HG2 THR 26 -13.536 3.858 7.821 163 HG22 THR 26 1HG2 THR 26 -12.017 2.998 8.069 164 HG23 THR 26 2HG2 THR 26 -13.139 2.464 6.818 165 H HIS 27 H HIS 27 -10.753 1.417 6.985 166 HA HIS 27 HA HIS 27 -8.820 2.242 8.828 167 HB2 HIS 27 1HB HIS 27 -9.913 -0.397 7.964 168 HB3 HIS 27 2HB HIS 27 -8.453 -0.384 8.950 169 HD1 HIS 27 HD1 HIS 27 -11.305 -1.448 9.861 170 HD2 HIS 27 HD2 HIS 27 -9.623 2.225 10.832 171 HE1 HIS 27 HE1 HIS 27 -12.445 -0.726 11.983 172 H LEU 28 H LEU 28 -8.499 0.625 5.711 173 HA LEU 28 HA LEU 28 -5.711 0.118 5.926 174 HB2 LEU 28 1HB LEU 28 -6.976 -1.175 4.388 175 HB3 LEU 28 2HB LEU 28 -7.593 0.267 3.584 176 HG LEU 28 HG LEU 28 -5.166 0.702 2.897 177 HD11 LEU 28 1HD1 LEU 28 -4.157 -0.898 4.467 178 HD12 LEU 28 2HD1 LEU 28 -3.717 -1.234 2.793 179 HD13 LEU 28 3HD1 LEU 28 -4.936 -2.221 3.598 180 HD21 LEU 28 3HD2 LEU 28 -5.579 -0.294 0.891 181 HD22 LEU 28 1HD2 LEU 28 -7.194 -0.399 1.594 182 HD23 LEU 28 2HD2 LEU 28 -6.126 -1.803 1.624 183 H ILE 29 H ILE 29 -7.623 2.771 4.612 184 HA ILE 29 HA ILE 29 -5.668 4.178 3.248 185 HB ILE 29 HB ILE 29 -7.835 5.448 4.920 186 HG12 ILE 29 1HG1 ILE 29 -8.860 3.745 3.544 187 HG13 ILE 29 2HG1 ILE 29 -9.208 5.320 2.839 188 HG21 ILE 29 1HG2 ILE 29 -7.743 7.163 3.093 189 HG22 ILE 29 2HG2 ILE 29 -6.306 7.082 4.112 190 HG23 ILE 29 3HG2 ILE 29 -6.289 6.359 2.503 191 HD11 ILE 29 3HD1 ILE 29 -7.880 3.051 1.688 192 HD12 ILE 29 1HD1 ILE 29 -8.468 4.523 0.915 193 HD13 ILE 29 2HD1 ILE 29 -6.851 4.481 1.618 194 H GLN 30 H GLN 30 -6.525 4.370 6.692 195 HA GLN 30 HA GLN 30 -4.528 6.314 7.299 196 HB2 GLN 30 1HB GLN 30 -6.191 4.485 9.028 197 HB3 GLN 30 2HB GLN 30 -5.041 5.639 9.689 198 HG2 GLN 30 1HG GLN 30 -7.101 6.619 7.784 199 HG3 GLN 30 2HG GLN 30 -7.584 6.230 9.434 200 HE21 GLN 30 1HE2 GLN 30 -8.055 8.651 9.110 201 HE22 GLN 30 2HE2 GLN 30 -6.816 9.726 9.653 202 H HIS 31 H HIS 31 -4.684 2.808 7.378 203 HA HIS 31 HA HIS 31 -2.374 2.301 8.880 204 HB2 HIS 31 1HB HIS 31 -3.736 0.436 8.526 205 HB3 HIS 31 2HB HIS 31 -3.878 0.746 6.798 206 HD1 HIS 31 HD1 HIS 31 -1.213 -0.336 9.285 207 HD2 HIS 31 HD2 HIS 31 -2.227 -0.774 5.279 208 HE1 HIS 31 HE1 HIS 31 0.446 -1.976 8.347 209 H GLN 32 H GLN 32 -2.816 2.819 5.407 210 HA GLN 32 HA GLN 32 -0.225 2.233 4.562 211 HB2 GLN 32 1HB GLN 32 -2.232 4.203 3.461 212 HB3 GLN 32 2HB GLN 32 -0.742 3.760 2.638 213 HG2 GLN 32 1HG GLN 32 -1.614 1.339 2.873 214 HG3 GLN 32 2HG GLN 32 -3.175 2.107 3.158 215 HE21 GLN 32 1HE2 GLN 32 -3.674 0.855 1.178 216 HE22 GLN 32 2HE2 GLN 32 -3.380 1.609 -0.348 217 H ARG 33 H ARG 33 -1.458 4.949 6.297 218 HA ARG 33 HA ARG 33 0.392 6.926 5.652 219 HB2 ARG 33 1HB ARG 33 -0.847 6.423 8.363 220 HB3 ARG 33 2HB ARG 33 -0.164 7.940 7.795 221 HG2 ARG 33 1HG ARG 33 -2.576 6.565 6.630 222 HG3 ARG 33 2HG ARG 33 -2.605 7.950 7.725 223 HD2 ARG 33 1HD ARG 33 -1.138 9.115 5.976 224 HD3 ARG 33 2HD ARG 33 -1.624 7.813 4.891 225 HE ARG 33 HE ARG 33 -3.606 8.893 4.624 226 HH11 ARG 33 1HH1 ARG 33 -2.257 9.831 7.694 227 HH12 ARG 33 2HH1 ARG 33 -3.527 10.953 8.056 228 HH21 ARG 33 1HH2 ARG 33 -5.283 10.368 5.090 229 HH22 ARG 33 2HH2 ARG 33 -5.248 11.257 6.575 230 H VAL 34 H VAL 34 0.671 4.156 7.777 231 HA VAL 34 HA VAL 34 3.015 4.924 9.142 232 HB VAL 34 HB VAL 34 3.220 2.666 9.848 233 HG11 VAL 34 1HG1 VAL 34 0.510 3.812 9.643 234 HG12 VAL 34 2HG1 VAL 34 0.599 2.109 10.096 235 HG13 VAL 34 3HG1 VAL 34 1.434 3.325 11.063 236 HG21 VAL 34 3HG2 VAL 34 1.947 2.093 7.258 237 HG22 VAL 34 1HG2 VAL 34 3.152 1.175 8.161 238 HG23 VAL 34 2HG2 VAL 34 1.446 1.053 8.592 239 H HIS 35 H HIS 35 2.467 3.603 5.976 240 HA HIS 35 HA HIS 35 5.205 2.797 5.568 241 HB2 HIS 35 1HB HIS 35 2.897 3.077 3.633 242 HB3 HIS 35 2HB HIS 35 4.472 2.405 3.222 243 HD1 HIS 35 HD1 HIS 35 4.781 0.696 5.864 244 HD2 HIS 35 HD2 HIS 35 1.466 0.738 3.358 245 HE1 HIS 35 HE1 HIS 35 3.608 -1.493 6.263 246 H THR 36 H THR 36 3.378 5.681 5.258 247 HA THR 36 HA THR 36 5.580 6.933 3.749 248 HB THR 36 HB THR 36 3.268 6.865 2.643 249 HG1 THR 36 HG1 THR 36 3.575 9.046 1.900 250 HG21 THR 36 3HG2 THR 36 2.429 9.301 3.969 251 HG22 THR 36 1HG2 THR 36 2.479 7.938 5.086 252 HG23 THR 36 2HG2 THR 36 1.509 7.839 3.617 253 H GLY 37 H GLY 37 5.715 6.609 6.532 254 HA2 GLY 37 1HA GLY 37 5.519 9.426 7.388 255 HA3 GLY 37 2HA GLY 37 5.014 8.123 8.454 256 H GLU 38 H GLU 38 7.093 6.294 7.860 257 HA GLU 38 HA GLU 38 9.309 7.649 9.228 258 HB2 GLU 38 1HB GLU 38 8.245 4.871 9.243 259 HB3 GLU 38 2HB GLU 38 9.975 5.077 9.479 260 HG2 GLU 38 1HG GLU 38 9.542 6.561 11.370 261 HG3 GLU 38 2HG GLU 38 7.807 6.350 11.135 262 H LYS 39 H LYS 39 11.266 7.843 8.318 263 HA LYS 39 HA LYS 39 12.007 6.180 6.048 264 HB2 LYS 39 1HB LYS 39 12.644 8.170 4.692 265 HB3 LYS 39 2HB LYS 39 10.909 8.009 4.932 266 HG2 LYS 39 1HG LYS 39 11.386 9.612 6.967 267 HG3 LYS 39 2HG LYS 39 12.795 10.041 5.996 268 HD2 LYS 39 1HD LYS 39 9.914 10.149 5.102 269 HD3 LYS 39 2HD LYS 39 10.927 11.532 5.519 270 HE2 LYS 39 1HE LYS 39 12.507 10.542 3.683 271 HE3 LYS 39 2HE LYS 39 11.036 9.744 3.130 272 HZ1 LYS 39 3HZ LYS 39 11.604 12.638 3.293 273 HZ2 LYS 39 1HZ LYS 39 10.017 12.059 3.211 274 HZ3 LYS 39 2HZ LYS 39 11.101 11.734 1.954 275 HA PRO 40 HA PRO 40 16.013 6.454 7.826 276 HB2 PRO 40 1HB PRO 40 17.576 6.139 5.629 277 HB3 PRO 40 2HB PRO 40 16.648 4.816 6.345 278 HG2 PRO 40 1HG PRO 40 15.994 6.522 3.974 279 HG3 PRO 40 2HG PRO 40 15.811 4.770 4.176 280 HD2 PRO 40 1HD PRO 40 13.733 6.488 4.420 281 HD3 PRO 40 2HD PRO 40 13.843 4.984 5.356 282 H SER 41 H SER 41 14.805 8.818 5.770 283 HA SER 41 HA SER 41 17.161 10.530 6.228 284 HB2 SER 41 1HB SER 41 15.365 10.251 3.852 285 HB3 SER 41 2HB SER 41 16.080 11.826 4.196 286 HG SER 41 HG SER 41 17.426 9.377 3.722 287 H GLY 42 H GLY 42 16.254 12.977 5.755 288 HA2 GLY 42 1HA GLY 42 14.329 14.417 6.232 289 HA3 GLY 42 2HA GLY 42 13.898 13.290 7.510 290 HA PRO 43 HA PRO 43 17.793 15.791 8.985 291 HB2 PRO 43 1HB PRO 43 18.287 18.079 7.610 292 HB3 PRO 43 2HB PRO 43 19.020 16.527 7.187 293 HG2 PRO 43 1HG PRO 43 16.655 17.900 5.969 294 HG3 PRO 43 2HG PRO 43 17.992 17.054 5.168 295 HD2 PRO 43 1HD PRO 43 15.565 15.915 5.547 296 HD3 PRO 43 2HD PRO 43 17.072 14.976 5.551 297 H SER 44 H SER 44 15.025 17.488 7.605 298 HA SER 44 HA SER 44 14.334 18.564 10.183 299 HB2 SER 44 1HB SER 44 14.437 20.900 9.617 300 HB3 SER 44 2HB SER 44 16.022 20.201 9.281 301 HG SER 44 HG SER 44 15.648 21.228 7.445 302 H SER 45 H SER 45 12.369 20.159 9.829 303 HA SER 45 HA SER 45 10.364 18.621 8.506 304 HB2 SER 45 1HB SER 45 10.156 21.400 9.691 305 HB3 SER 45 2HB SER 45 8.809 20.335 9.289 306 HG SER 45 HG SER 45 10.821 19.466 11.051 307 H GLY 46 H GLY 46 8.946 19.349 6.819 308 HA2 GLY 46 1HA GLY 46 8.446 21.045 5.124 309 HA3 GLY 46 2HA GLY 46 10.172 21.365 5.042 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -5.749 -31.180 3.132 2 HA2 GLY 1 1HA GLY 1 -3.089 -32.368 3.398 3 HA3 GLY 1 2HA GLY 1 -3.731 -31.038 4.352 4 H SER 2 H SER 2 -4.316 -34.499 3.743 5 HA SER 2 HA SER 2 -4.836 -36.217 5.141 6 HB2 SER 2 1HB SER 2 -3.370 -34.348 6.967 7 HB3 SER 2 2HB SER 2 -4.160 -35.773 7.642 8 HG SER 2 HG SER 2 -2.655 -36.980 6.809 9 H SER 3 H SER 3 -7.000 -34.900 4.467 10 HA SER 3 HA SER 3 -9.143 -34.377 5.029 11 HB2 SER 3 1HB SER 3 -8.374 -36.049 7.428 12 HB3 SER 3 2HB SER 3 -10.018 -35.488 7.120 13 HG SER 3 HG SER 3 -8.646 -36.840 5.086 14 H GLY 4 H GLY 4 -7.396 -32.322 5.485 15 HA2 GLY 4 1HA GLY 4 -8.621 -31.050 7.841 16 HA3 GLY 4 2HA GLY 4 -6.880 -30.969 7.615 17 H SER 5 H SER 5 -9.285 -29.007 7.545 18 HA SER 5 HA SER 5 -8.341 -27.572 5.157 19 HB2 SER 5 1HB SER 5 -10.498 -28.441 4.546 20 HB3 SER 5 2HB SER 5 -11.205 -27.909 6.072 21 HG SER 5 HG SER 5 -10.003 -26.011 4.396 22 H SER 6 H SER 6 -7.281 -25.859 5.902 23 HA SER 6 HA SER 6 -8.409 -24.400 8.201 24 HB2 SER 6 1HB SER 6 -6.125 -23.600 8.651 25 HB3 SER 6 2HB SER 6 -6.195 -25.362 8.664 26 HG SER 6 HG SER 6 -5.522 -25.148 6.364 27 H GLY 7 H GLY 7 -7.532 -22.012 8.167 28 HA2 GLY 7 1HA GLY 7 -6.877 -20.222 6.566 29 HA3 GLY 7 2HA GLY 7 -8.007 -20.966 5.443 30 H THR 8 H THR 8 -7.599 -18.660 7.884 31 HA THR 8 HA THR 8 -10.201 -18.486 8.938 32 HB THR 8 HB THR 8 -8.193 -16.254 8.577 33 HG1 THR 8 HG1 THR 8 -8.662 -17.755 10.937 34 HG21 THR 8 3HG2 THR 8 -9.889 -16.066 10.896 35 HG22 THR 8 1HG2 THR 8 -10.862 -16.153 9.428 36 HG23 THR 8 2HG2 THR 8 -9.636 -14.897 9.601 37 H GLY 9 H GLY 9 -8.666 -16.750 6.234 38 HA2 GLY 9 1HA GLY 9 -10.412 -16.671 4.309 39 HA3 GLY 9 2HA GLY 9 -11.301 -15.699 5.471 40 H GLU 10 H GLU 10 -10.774 -14.562 3.105 41 HA GLU 10 HA GLU 10 -8.631 -12.646 3.746 42 HB2 GLU 10 1HB GLU 10 -9.243 -14.042 1.174 43 HB3 GLU 10 2HB GLU 10 -8.587 -12.412 1.121 44 HG2 GLU 10 1HG GLU 10 -6.581 -13.053 2.107 45 HG3 GLU 10 2HG GLU 10 -7.260 -14.555 2.733 46 H LYS 11 H LYS 11 -9.335 -10.637 3.977 47 HA LYS 11 HA LYS 11 -12.047 -9.934 3.417 48 HB2 LYS 11 1HB LYS 11 -9.683 -8.589 4.621 49 HB3 LYS 11 2HB LYS 11 -10.963 -7.559 3.994 50 HG2 LYS 11 1HG LYS 11 -11.417 -7.882 6.286 51 HG3 LYS 11 2HG LYS 11 -12.571 -8.884 5.403 52 HD2 LYS 11 1HD LYS 11 -11.601 -10.839 6.082 53 HD3 LYS 11 2HD LYS 11 -9.994 -10.120 6.220 54 HE2 LYS 11 1HE LYS 11 -12.295 -9.620 8.106 55 HE3 LYS 11 2HE LYS 11 -10.959 -10.731 8.407 56 HZ1 LYS 11 3HZ LYS 11 -10.961 -7.795 8.372 57 HZ2 LYS 11 1HZ LYS 11 -9.540 -8.615 7.955 58 HZ3 LYS 11 2HZ LYS 11 -10.241 -8.856 9.475 59 HA PRO 12 HA PRO 12 -11.775 -8.176 -0.593 60 HB2 PRO 12 1HB PRO 12 -13.381 -5.998 -0.382 61 HB3 PRO 12 2HB PRO 12 -14.004 -7.651 -0.410 62 HG2 PRO 12 1HG PRO 12 -13.522 -5.848 1.930 63 HG3 PRO 12 2HG PRO 12 -14.901 -6.914 1.605 64 HD2 PRO 12 1HD PRO 12 -12.904 -7.592 3.303 65 HD3 PRO 12 2HD PRO 12 -13.782 -8.793 2.333 66 H TYR 13 H TYR 13 -10.341 -6.725 2.017 67 HA TYR 13 HA TYR 13 -8.993 -4.777 0.288 68 HB2 TYR 13 1HB TYR 13 -9.777 -4.116 3.125 69 HB3 TYR 13 2HB TYR 13 -9.124 -3.030 1.902 70 HD1 TYR 13 HD2 TYR 13 -10.566 -2.487 -0.114 71 HD2 TYR 13 HD1 TYR 13 -12.097 -4.418 3.354 72 HE1 TYR 13 HE2 TYR 13 -12.849 -1.853 -0.776 73 HE2 TYR 13 HE1 TYR 13 -14.384 -3.791 2.701 74 HH TYR 13 HH TYR 13 -15.377 -1.784 1.173 75 H GLU 14 H GLU 14 -6.839 -4.820 0.463 76 HA GLU 14 HA GLU 14 -5.546 -5.669 2.909 77 HB2 GLU 14 1HB GLU 14 -6.133 -7.735 1.439 78 HB3 GLU 14 2HB GLU 14 -4.810 -7.180 0.423 79 HG2 GLU 14 1HG GLU 14 -3.279 -7.336 2.307 80 HG3 GLU 14 2HG GLU 14 -4.601 -7.860 3.348 81 H CYS 15 H CYS 15 -3.325 -5.154 2.985 82 HA CYS 15 HA CYS 15 -2.575 -3.052 1.109 83 HB2 CYS 15 1HB CYS 15 -2.419 -2.770 3.621 84 HB3 CYS 15 2HB CYS 15 -1.088 -3.923 3.589 85 H LYS 16 H LYS 16 -1.739 -3.892 -0.717 86 HA LYS 16 HA LYS 16 -0.212 -6.254 -0.881 87 HB2 LYS 16 1HB LYS 16 -0.567 -3.911 -2.740 88 HB3 LYS 16 2HB LYS 16 0.474 -5.268 -3.148 89 HG2 LYS 16 1HG LYS 16 -1.547 -6.748 -2.747 90 HG3 LYS 16 2HG LYS 16 -2.498 -5.261 -2.738 91 HD2 LYS 16 1HD LYS 16 -1.317 -4.779 -4.991 92 HD3 LYS 16 2HD LYS 16 -0.952 -6.506 -4.983 93 HE2 LYS 16 1HE LYS 16 -3.725 -5.367 -4.672 94 HE3 LYS 16 2HE LYS 16 -3.039 -5.874 -6.215 95 HZ1 LYS 16 3HZ LYS 16 -4.253 -7.454 -4.221 96 HZ2 LYS 16 1HZ LYS 16 -2.654 -7.965 -4.432 97 HZ3 LYS 16 2HZ LYS 16 -3.708 -7.918 -5.753 98 H GLU 17 H GLU 17 0.597 -3.157 0.224 99 HA GLU 17 HA GLU 17 3.324 -3.043 -0.537 100 HB2 GLU 17 1HB GLU 17 2.025 -1.778 1.881 101 HB3 GLU 17 2HB GLU 17 3.537 -1.292 1.127 102 HG2 GLU 17 1HG GLU 17 2.087 -0.923 -0.981 103 HG3 GLU 17 2HG GLU 17 0.739 -0.920 0.155 104 H CYS 18 H CYS 18 1.860 -3.816 2.626 105 HA CYS 18 HA CYS 18 4.281 -5.369 3.259 106 HB2 CYS 18 1HB CYS 18 3.666 -5.020 5.642 107 HB3 CYS 18 2HB CYS 18 3.987 -3.514 4.788 108 H GLY 19 H GLY 19 0.747 -5.321 3.569 109 HA2 GLY 19 1HA GLY 19 -0.371 -7.433 2.908 110 HA3 GLY 19 2HA GLY 19 0.844 -8.261 3.871 111 H LYS 20 H LYS 20 -1.633 -5.722 4.213 112 HA LYS 20 HA LYS 20 -2.477 -7.010 6.713 113 HB2 LYS 20 1HB LYS 20 -0.989 -4.902 7.000 114 HB3 LYS 20 2HB LYS 20 -2.415 -4.016 6.474 115 HG2 LYS 20 1HG LYS 20 -3.568 -4.453 8.389 116 HG3 LYS 20 2HG LYS 20 -2.734 -5.982 8.675 117 HD2 LYS 20 1HD LYS 20 -0.662 -4.587 9.149 118 HD3 LYS 20 2HD LYS 20 -1.739 -3.189 9.190 119 HE2 LYS 20 1HE LYS 20 -1.616 -3.810 11.421 120 HE3 LYS 20 2HE LYS 20 -3.104 -4.585 10.882 121 HZ1 LYS 20 3HZ LYS 20 -0.712 -5.769 11.883 122 HZ2 LYS 20 1HZ LYS 20 -1.138 -6.423 10.382 123 HZ3 LYS 20 2HZ LYS 20 -2.241 -6.459 11.663 124 H ALA 21 H ALA 21 -4.571 -7.462 6.675 125 HA ALA 21 HA ALA 21 -6.280 -6.094 4.725 126 HB1 ALA 21 3HB ALA 21 -7.817 -7.957 5.009 127 HB2 ALA 21 1HB ALA 21 -6.198 -8.541 4.623 128 HB3 ALA 21 2HB ALA 21 -6.795 -8.626 6.281 129 H PHE 22 H PHE 22 -8.188 -5.086 5.289 130 HA PHE 22 HA PHE 22 -8.779 -4.838 8.156 131 HB2 PHE 22 1HB PHE 22 -8.716 -2.524 6.208 132 HB3 PHE 22 2HB PHE 22 -9.132 -2.435 7.916 133 HD1 PHE 22 HD1 PHE 22 -6.379 -3.164 5.558 134 HD2 PHE 22 HD2 PHE 22 -7.472 -2.201 9.557 135 HE1 PHE 22 HE1 PHE 22 -4.012 -2.773 6.107 136 HE2 PHE 22 HE2 PHE 22 -5.108 -1.806 10.112 137 HZ PHE 22 HZ PHE 22 -3.375 -2.091 8.386 138 H SER 23 H SER 23 -10.906 -4.817 8.680 139 HA SER 23 HA SER 23 -12.808 -5.880 6.992 140 HB2 SER 23 1HB SER 23 -12.947 -4.346 9.552 141 HB3 SER 23 2HB SER 23 -14.446 -4.645 8.672 142 HG SER 23 HG SER 23 -14.362 -6.663 9.251 143 H GLN 24 H GLN 24 -12.279 -2.456 7.782 144 HA GLN 24 HA GLN 24 -14.058 -1.733 5.554 145 HB2 GLN 24 1HB GLN 24 -13.391 -0.441 8.149 146 HB3 GLN 24 2HB GLN 24 -13.717 0.614 6.781 147 HG2 GLN 24 1HG GLN 24 -15.614 -1.589 7.459 148 HG3 GLN 24 2HG GLN 24 -15.644 -0.076 8.363 149 HE21 GLN 24 1HE2 GLN 24 -15.589 1.910 6.867 150 HE22 GLN 24 2HE2 GLN 24 -16.685 1.864 5.532 151 H THR 25 H THR 25 -13.424 0.017 4.161 152 HA THR 25 HA THR 25 -10.792 -0.216 3.201 153 HB THR 25 HB THR 25 -11.348 1.799 1.807 154 HG1 THR 25 HG1 THR 25 -12.845 3.014 2.703 155 HG21 THR 25 3HG2 THR 25 -11.845 -0.333 0.878 156 HG22 THR 25 1HG2 THR 25 -13.267 0.673 0.608 157 HG23 THR 25 2HG2 THR 25 -13.267 -0.524 1.904 158 H THR 26 H THR 26 -12.370 2.461 4.945 159 HA THR 26 HA THR 26 -10.343 4.275 5.091 160 HB THR 26 HB THR 26 -11.233 4.886 7.385 161 HG1 THR 26 HG1 THR 26 -12.080 3.065 8.219 162 HG21 THR 26 3HG2 THR 26 -13.701 4.747 5.895 163 HG22 THR 26 1HG2 THR 26 -12.356 5.183 4.842 164 HG23 THR 26 2HG2 THR 26 -12.702 6.148 6.277 165 H HIS 27 H HIS 27 -10.820 1.513 7.282 166 HA HIS 27 HA HIS 27 -8.711 1.939 9.015 167 HB2 HIS 27 1HB HIS 27 -10.018 -0.575 8.007 168 HB3 HIS 27 2HB HIS 27 -8.673 -0.649 9.142 169 HD1 HIS 27 HD1 HIS 27 -12.040 -1.073 9.342 170 HD2 HIS 27 HD2 HIS 27 -9.498 1.566 11.302 171 HE1 HIS 27 HE1 HIS 27 -13.257 -0.396 11.436 172 H LEU 28 H LEU 28 -8.670 0.750 5.737 173 HA LEU 28 HA LEU 28 -5.923 -0.135 5.871 174 HB2 LEU 28 1HB LEU 28 -7.246 -1.370 4.388 175 HB3 LEU 28 2HB LEU 28 -7.966 0.078 3.687 176 HG LEU 28 HG LEU 28 -5.858 0.586 2.559 177 HD11 LEU 28 1HD1 LEU 28 -4.350 -0.419 4.216 178 HD12 LEU 28 2HD1 LEU 28 -4.013 -0.984 2.579 179 HD13 LEU 28 3HD1 LEU 28 -4.880 -2.024 3.709 180 HD21 LEU 28 3HD2 LEU 28 -6.092 -0.967 0.848 181 HD22 LEU 28 1HD2 LEU 28 -7.663 -1.020 1.649 182 HD23 LEU 28 2HD2 LEU 28 -6.472 -2.284 1.959 183 H ILE 29 H ILE 29 -7.651 2.751 5.046 184 HA ILE 29 HA ILE 29 -5.579 3.973 3.510 185 HB ILE 29 HB ILE 29 -7.738 5.444 5.006 186 HG12 ILE 29 1HG1 ILE 29 -8.768 3.591 3.759 187 HG13 ILE 29 2HG1 ILE 29 -9.174 5.146 3.043 188 HG21 ILE 29 1HG2 ILE 29 -6.254 6.026 2.446 189 HG22 ILE 29 2HG2 ILE 29 -7.541 7.018 3.129 190 HG23 ILE 29 3HG2 ILE 29 -6.019 6.829 3.999 191 HD11 ILE 29 3HD1 ILE 29 -8.014 4.728 1.143 192 HD12 ILE 29 1HD1 ILE 29 -6.818 3.721 1.960 193 HD13 ILE 29 2HD1 ILE 29 -8.416 3.071 1.592 194 H GLN 30 H GLN 30 -6.629 4.230 6.890 195 HA GLN 30 HA GLN 30 -4.862 6.230 7.703 196 HB2 GLN 30 1HB GLN 30 -5.544 5.769 9.844 197 HB3 GLN 30 2HB GLN 30 -6.841 4.996 8.942 198 HG2 GLN 30 1HG GLN 30 -5.802 2.838 9.215 199 HG3 GLN 30 2HG GLN 30 -4.414 3.577 10.013 200 HE21 GLN 30 1HE2 GLN 30 -6.457 1.570 10.882 201 HE22 GLN 30 2HE2 GLN 30 -7.068 2.186 12.375 202 H HIS 31 H HIS 31 -4.477 2.694 7.862 203 HA HIS 31 HA HIS 31 -1.999 2.533 9.036 204 HB2 HIS 31 1HB HIS 31 -2.966 0.463 8.695 205 HB3 HIS 31 2HB HIS 31 -3.435 0.837 7.039 206 HD1 HIS 31 HD1 HIS 31 -0.385 -0.112 9.062 207 HD2 HIS 31 HD2 HIS 31 -1.683 -0.024 5.116 208 HE1 HIS 31 HE1 HIS 31 1.393 -1.304 7.742 209 H GLN 32 H GLN 32 -2.705 2.916 5.572 210 HA GLN 32 HA GLN 32 -0.306 2.786 4.387 211 HB2 GLN 32 1HB GLN 32 -2.378 4.948 3.994 212 HB3 GLN 32 2HB GLN 32 -1.021 4.688 2.907 213 HG2 GLN 32 1HG GLN 32 -2.916 2.465 3.539 214 HG3 GLN 32 2HG GLN 32 -3.313 3.675 2.320 215 HE21 GLN 32 1HE2 GLN 32 -2.569 0.714 2.314 216 HE22 GLN 32 2HE2 GLN 32 -1.369 0.600 1.076 217 H ARG 33 H ARG 33 -1.275 5.207 6.690 218 HA ARG 33 HA ARG 33 0.537 7.232 6.254 219 HB2 ARG 33 1HB ARG 33 -0.680 6.114 8.758 220 HB3 ARG 33 2HB ARG 33 0.496 7.419 8.851 221 HG2 ARG 33 1HG ARG 33 -0.896 8.895 7.653 222 HG3 ARG 33 2HG ARG 33 -1.969 7.589 7.146 223 HD2 ARG 33 1HD ARG 33 -3.116 8.697 8.873 224 HD3 ARG 33 2HD ARG 33 -2.459 7.238 9.613 225 HE ARG 33 HE ARG 33 -0.789 9.576 9.873 226 HH11 ARG 33 1HH1 ARG 33 -3.358 7.685 11.267 227 HH12 ARG 33 2HH1 ARG 33 -3.098 8.277 12.874 228 HH21 ARG 33 1HH2 ARG 33 -0.436 10.363 11.985 229 HH22 ARG 33 2HH2 ARG 33 -1.436 9.801 13.282 230 H VAL 34 H VAL 34 1.029 4.265 8.149 231 HA VAL 34 HA VAL 34 3.602 4.740 9.059 232 HB VAL 34 HB VAL 34 3.880 2.269 9.124 233 HG11 VAL 34 1HG1 VAL 34 1.506 2.001 10.384 234 HG12 VAL 34 2HG1 VAL 34 2.903 2.828 11.077 235 HG13 VAL 34 3HG1 VAL 34 1.625 3.758 10.293 236 HG21 VAL 34 3HG2 VAL 34 1.229 1.494 8.447 237 HG22 VAL 34 1HG2 VAL 34 1.919 2.369 7.080 238 HG23 VAL 34 2HG2 VAL 34 2.750 0.957 7.734 239 H HIS 35 H HIS 35 2.506 3.982 5.869 240 HA HIS 35 HA HIS 35 5.135 3.211 4.919 241 HB2 HIS 35 1HB HIS 35 2.481 3.590 3.529 242 HB3 HIS 35 2HB HIS 35 3.964 3.172 2.675 243 HD1 HIS 35 HD1 HIS 35 5.131 1.012 4.425 244 HD2 HIS 35 HD2 HIS 35 1.073 1.282 3.577 245 HE1 HIS 35 HE1 HIS 35 4.216 -1.303 4.778 246 H THR 36 H THR 36 3.040 6.015 4.902 247 HA THR 36 HA THR 36 4.941 7.487 3.227 248 HB THR 36 HB THR 36 2.695 7.794 2.492 249 HG1 THR 36 HG1 THR 36 2.415 10.134 3.175 250 HG21 THR 36 3HG2 THR 36 2.124 8.106 5.401 251 HG22 THR 36 1HG2 THR 36 1.244 7.200 4.172 252 HG23 THR 36 2HG2 THR 36 1.101 8.956 4.244 253 H GLY 37 H GLY 37 6.433 7.285 5.171 254 HA2 GLY 37 1HA GLY 37 7.197 9.541 6.286 255 HA3 GLY 37 2HA GLY 37 5.811 9.189 7.306 256 H GLU 38 H GLU 38 8.626 7.424 6.001 257 HA GLU 38 HA GLU 38 8.850 6.005 8.548 258 HB2 GLU 38 1HB GLU 38 8.884 4.656 6.505 259 HB3 GLU 38 2HB GLU 38 10.269 5.564 5.915 260 HG2 GLU 38 1HG GLU 38 11.732 4.518 7.307 261 HG3 GLU 38 2HG GLU 38 10.515 4.228 8.549 262 H LYS 39 H LYS 39 10.385 6.429 10.001 263 HA LYS 39 HA LYS 39 12.538 8.288 9.229 264 HB2 LYS 39 1HB LYS 39 10.720 8.922 11.002 265 HB3 LYS 39 2HB LYS 39 11.666 7.892 12.069 266 HG2 LYS 39 1HG LYS 39 13.633 9.271 11.681 267 HG3 LYS 39 2HG LYS 39 12.708 10.293 10.579 268 HD2 LYS 39 1HD LYS 39 11.942 9.858 13.459 269 HD3 LYS 39 2HD LYS 39 12.984 11.179 12.926 270 HE2 LYS 39 1HE LYS 39 10.199 10.672 11.888 271 HE3 LYS 39 2HE LYS 39 10.591 11.815 13.171 272 HZ1 LYS 39 3HZ LYS 39 12.293 12.506 11.179 273 HZ2 LYS 39 1HZ LYS 39 10.828 13.278 11.527 274 HZ3 LYS 39 2HZ LYS 39 10.892 12.085 10.330 275 HA PRO 40 HA PRO 40 14.622 4.297 10.228 276 HB2 PRO 40 1HB PRO 40 16.522 4.562 8.307 277 HB3 PRO 40 2HB PRO 40 14.927 3.869 7.991 278 HG2 PRO 40 1HG PRO 40 15.926 6.641 7.463 279 HG3 PRO 40 2HG PRO 40 14.936 5.592 6.431 280 HD2 PRO 40 1HD PRO 40 13.878 7.596 7.913 281 HD3 PRO 40 2HD PRO 40 12.995 6.096 7.566 282 H SER 41 H SER 41 16.269 7.306 9.240 283 HA SER 41 HA SER 41 18.139 8.343 10.041 284 HB2 SER 41 1HB SER 41 16.858 7.443 12.631 285 HB3 SER 41 2HB SER 41 18.176 8.611 12.529 286 HG SER 41 HG SER 41 16.821 10.086 11.858 287 H GLY 42 H GLY 42 18.676 5.764 9.154 288 HA2 GLY 42 1HA GLY 42 20.159 4.009 9.354 289 HA3 GLY 42 2HA GLY 42 21.211 5.252 10.014 290 HA PRO 43 HA PRO 43 20.760 2.031 13.273 291 HB2 PRO 43 1HB PRO 43 23.355 2.157 14.061 292 HB3 PRO 43 2HB PRO 43 22.807 1.148 12.717 293 HG2 PRO 43 1HG PRO 43 24.100 3.847 12.654 294 HG3 PRO 43 2HG PRO 43 24.412 2.433 11.631 295 HD2 PRO 43 1HD PRO 43 22.892 4.518 10.810 296 HD3 PRO 43 2HD PRO 43 22.591 2.850 10.282 297 H SER 44 H SER 44 19.632 3.034 14.852 298 HA SER 44 HA SER 44 20.935 5.253 16.284 299 HB2 SER 44 1HB SER 44 18.728 5.746 15.192 300 HB3 SER 44 2HB SER 44 17.988 4.565 16.273 301 HG SER 44 HG SER 44 17.837 6.176 17.606 302 H SER 45 H SER 45 18.976 2.330 16.742 303 HA SER 45 HA SER 45 20.190 2.038 19.405 304 HB2 SER 45 1HB SER 45 17.283 1.663 18.667 305 HB3 SER 45 2HB SER 45 17.988 1.053 20.164 306 HG SER 45 HG SER 45 18.053 3.771 19.350 307 H GLY 46 H GLY 46 21.172 0.844 17.092 308 HA2 GLY 46 1HA GLY 46 21.494 -1.203 16.028 309 HA3 GLY 46 2HA GLY 46 21.740 -1.691 17.698 Start of MODEL 7 1 H1 GLY 1 H GLY 1 7.701 -16.214 -4.139 2 HA2 GLY 1 1HA GLY 1 9.039 -15.351 -1.885 3 HA3 GLY 1 2HA GLY 1 9.633 -14.340 -3.194 4 H SER 2 H SER 2 8.132 -12.996 -4.330 5 HA SER 2 HA SER 2 5.853 -12.237 -2.642 6 HB2 SER 2 1HB SER 2 7.402 -10.687 -4.727 7 HB3 SER 2 2HB SER 2 5.951 -10.078 -3.932 8 HG SER 2 HG SER 2 8.230 -10.965 -2.505 9 H SER 3 H SER 3 4.006 -11.200 -3.946 10 HA SER 3 HA SER 3 3.536 -12.272 -6.573 11 HB2 SER 3 1HB SER 3 3.017 -14.125 -4.796 12 HB3 SER 3 2HB SER 3 1.558 -13.178 -4.506 13 HG SER 3 HG SER 3 0.862 -13.599 -6.514 14 H GLY 4 H GLY 4 2.383 -10.816 -7.650 15 HA2 GLY 4 1HA GLY 4 1.498 -8.416 -6.719 16 HA3 GLY 4 2HA GLY 4 0.784 -9.217 -8.111 17 H SER 5 H SER 5 -0.649 -7.524 -6.395 18 HA SER 5 HA SER 5 -2.068 -8.862 -4.374 19 HB2 SER 5 1HB SER 5 -3.660 -7.029 -4.503 20 HB3 SER 5 2HB SER 5 -2.024 -6.391 -4.668 21 HG SER 5 HG SER 5 -3.401 -7.088 -6.995 22 H SER 6 H SER 6 -3.622 -10.345 -4.437 23 HA SER 6 HA SER 6 -5.207 -10.649 -6.892 24 HB2 SER 6 1HB SER 6 -3.334 -12.338 -6.799 25 HB3 SER 6 2HB SER 6 -4.087 -12.994 -5.345 26 HG SER 6 HG SER 6 -4.706 -14.071 -7.312 27 H GLY 7 H GLY 7 -6.011 -9.311 -4.574 28 HA2 GLY 7 1HA GLY 7 -7.581 -9.320 -2.873 29 HA3 GLY 7 2HA GLY 7 -8.527 -10.166 -4.089 30 H THR 8 H THR 8 -5.673 -11.220 -2.257 31 HA THR 8 HA THR 8 -7.103 -13.655 -1.525 32 HB THR 8 HB THR 8 -4.196 -12.911 -1.144 33 HG1 THR 8 HG1 THR 8 -5.421 -14.717 -2.980 34 HG21 THR 8 3HG2 THR 8 -5.525 -15.600 -0.807 35 HG22 THR 8 1HG2 THR 8 -5.073 -14.540 0.527 36 HG23 THR 8 2HG2 THR 8 -3.828 -15.210 -0.528 37 H GLY 9 H GLY 9 -7.567 -14.273 0.548 38 HA2 GLY 9 1HA GLY 9 -6.878 -13.899 2.960 39 HA3 GLY 9 2HA GLY 9 -7.162 -12.200 2.611 40 H GLU 10 H GLU 10 -8.674 -12.262 4.391 41 HA GLU 10 HA GLU 10 -11.210 -13.604 3.733 42 HB2 GLU 10 1HB GLU 10 -10.038 -14.106 5.942 43 HB3 GLU 10 2HB GLU 10 -10.450 -12.464 6.419 44 HG2 GLU 10 1HG GLU 10 -12.224 -13.551 7.307 45 HG3 GLU 10 2HG GLU 10 -12.868 -13.248 5.694 46 H LYS 11 H LYS 11 -9.848 -10.773 3.189 47 HA LYS 11 HA LYS 11 -12.394 -9.348 3.319 48 HB2 LYS 11 1HB LYS 11 -9.814 -8.150 4.346 49 HB3 LYS 11 2HB LYS 11 -11.374 -7.343 4.259 50 HG2 LYS 11 1HG LYS 11 -12.241 -8.536 6.033 51 HG3 LYS 11 2HG LYS 11 -11.091 -9.860 5.839 52 HD2 LYS 11 1HD LYS 11 -9.288 -8.422 6.640 53 HD3 LYS 11 2HD LYS 11 -10.422 -7.080 6.806 54 HE2 LYS 11 1HE LYS 11 -11.727 -8.810 8.302 55 HE3 LYS 11 2HE LYS 11 -10.132 -9.547 8.452 56 HZ1 LYS 11 3HZ LYS 11 -10.312 -8.057 10.232 57 HZ2 LYS 11 1HZ LYS 11 -10.972 -6.830 9.271 58 HZ3 LYS 11 2HZ LYS 11 -9.342 -7.252 9.104 59 HA PRO 12 HA PRO 12 -11.212 -8.116 -0.738 60 HB2 PRO 12 1HB PRO 12 -12.822 -5.948 -1.018 61 HB3 PRO 12 2HB PRO 12 -13.428 -7.608 -1.068 62 HG2 PRO 12 1HG PRO 12 -13.451 -5.650 1.197 63 HG3 PRO 12 2HG PRO 12 -14.731 -6.752 0.657 64 HD2 PRO 12 1HD PRO 12 -13.143 -7.294 2.782 65 HD3 PRO 12 2HD PRO 12 -13.796 -8.566 1.729 66 H TYR 13 H TYR 13 -10.477 -6.384 2.033 67 HA TYR 13 HA TYR 13 -8.935 -4.401 0.490 68 HB2 TYR 13 1HB TYR 13 -9.721 -3.986 3.360 69 HB3 TYR 13 2HB TYR 13 -9.268 -2.787 2.153 70 HD1 TYR 13 HD2 TYR 13 -10.968 -3.169 -0.072 71 HD2 TYR 13 HD1 TYR 13 -11.898 -3.696 4.046 72 HE1 TYR 13 HE2 TYR 13 -13.343 -2.760 -0.562 73 HE2 TYR 13 HE1 TYR 13 -14.276 -3.290 3.568 74 HH TYR 13 HH TYR 13 -15.811 -3.483 1.577 75 H GLU 14 H GLU 14 -6.845 -4.861 0.485 76 HA GLU 14 HA GLU 14 -5.578 -5.744 2.975 77 HB2 GLU 14 1HB GLU 14 -6.114 -7.644 1.248 78 HB3 GLU 14 2HB GLU 14 -4.720 -6.997 0.395 79 HG2 GLU 14 1HG GLU 14 -3.425 -7.277 2.536 80 HG3 GLU 14 2HG GLU 14 -4.808 -8.180 3.153 81 H CYS 15 H CYS 15 -3.441 -5.106 3.233 82 HA CYS 15 HA CYS 15 -2.671 -2.797 1.696 83 HB2 CYS 15 1HB CYS 15 -2.361 -3.227 4.244 84 HB3 CYS 15 2HB CYS 15 -0.923 -4.115 3.752 85 H LYS 16 H LYS 16 -1.644 -2.945 -0.175 86 HA LYS 16 HA LYS 16 -0.214 -5.334 -0.927 87 HB2 LYS 16 1HB LYS 16 0.124 -4.180 -3.077 88 HB3 LYS 16 2HB LYS 16 -1.565 -4.177 -2.589 89 HG2 LYS 16 1HG LYS 16 -1.363 -2.017 -3.253 90 HG3 LYS 16 2HG LYS 16 -0.897 -1.838 -1.560 91 HD2 LYS 16 1HD LYS 16 1.469 -2.006 -2.214 92 HD3 LYS 16 2HD LYS 16 0.981 -2.137 -3.905 93 HE2 LYS 16 1HE LYS 16 0.347 0.201 -2.109 94 HE3 LYS 16 2HE LYS 16 1.695 0.148 -3.244 95 HZ1 LYS 16 3HZ LYS 16 -0.414 -0.527 -4.788 96 HZ2 LYS 16 1HZ LYS 16 0.245 1.027 -4.673 97 HZ3 LYS 16 2HZ LYS 16 -1.102 0.608 -3.739 98 H GLU 17 H GLU 17 0.608 -2.814 0.968 99 HA GLU 17 HA GLU 17 3.313 -2.455 -0.052 100 HB2 GLU 17 1HB GLU 17 2.084 -1.275 2.441 101 HB3 GLU 17 2HB GLU 17 3.557 -0.753 1.635 102 HG2 GLU 17 1HG GLU 17 1.886 -0.422 -0.392 103 HG3 GLU 17 2HG GLU 17 0.725 -0.260 0.925 104 H CYS 18 H CYS 18 1.649 -3.802 2.762 105 HA CYS 18 HA CYS 18 4.134 -5.227 3.446 106 HB2 CYS 18 1HB CYS 18 3.678 -4.974 5.792 107 HB3 CYS 18 2HB CYS 18 3.613 -3.377 5.054 108 H GLY 19 H GLY 19 0.610 -5.219 3.444 109 HA2 GLY 19 1HA GLY 19 -0.533 -7.229 2.707 110 HA3 GLY 19 2HA GLY 19 0.700 -8.167 3.535 111 H LYS 20 H LYS 20 -1.813 -5.735 4.201 112 HA LYS 20 HA LYS 20 -2.548 -7.287 6.585 113 HB2 LYS 20 1HB LYS 20 -1.146 -5.104 6.977 114 HB3 LYS 20 2HB LYS 20 -2.675 -4.295 6.658 115 HG2 LYS 20 1HG LYS 20 -3.649 -5.075 8.577 116 HG3 LYS 20 2HG LYS 20 -2.612 -6.502 8.654 117 HD2 LYS 20 1HD LYS 20 -1.343 -3.827 8.942 118 HD3 LYS 20 2HD LYS 20 -2.287 -4.450 10.297 119 HE2 LYS 20 1HE LYS 20 -0.042 -5.127 10.657 120 HE3 LYS 20 2HE LYS 20 -0.926 -6.560 10.133 121 HZ1 LYS 20 3HZ LYS 20 0.031 -6.447 8.010 122 HZ2 LYS 20 1HZ LYS 20 1.314 -6.167 9.077 123 HZ3 LYS 20 2HZ LYS 20 0.609 -4.875 8.245 124 H ALA 21 H ALA 21 -4.633 -7.795 6.593 125 HA ALA 21 HA ALA 21 -6.429 -6.441 4.731 126 HB1 ALA 21 3HB ALA 21 -7.122 -8.845 6.389 127 HB2 ALA 21 1HB ALA 21 -7.824 -8.316 4.860 128 HB3 ALA 21 2HB ALA 21 -6.190 -8.979 4.898 129 H PHE 22 H PHE 22 -8.134 -5.218 5.329 130 HA PHE 22 HA PHE 22 -8.718 -4.996 8.207 131 HB2 PHE 22 1HB PHE 22 -8.635 -2.720 6.214 132 HB3 PHE 22 2HB PHE 22 -9.060 -2.585 7.917 133 HD1 PHE 22 HD1 PHE 22 -6.325 -3.210 5.544 134 HD2 PHE 22 HD2 PHE 22 -7.386 -2.544 9.612 135 HE1 PHE 22 HE1 PHE 22 -3.956 -2.845 6.099 136 HE2 PHE 22 HE2 PHE 22 -5.019 -2.178 10.173 137 HZ PHE 22 HZ PHE 22 -3.300 -2.327 8.415 138 H SER 23 H SER 23 -10.847 -4.768 8.789 139 HA SER 23 HA SER 23 -12.802 -5.830 7.084 140 HB2 SER 23 1HB SER 23 -14.418 -5.137 8.837 141 HB3 SER 23 2HB SER 23 -13.014 -5.966 9.508 142 HG SER 23 HG SER 23 -12.153 -3.903 10.022 143 H GLN 24 H GLN 24 -11.973 -2.503 7.900 144 HA GLN 24 HA GLN 24 -13.938 -1.580 5.909 145 HB2 GLN 24 1HB GLN 24 -12.851 -0.277 8.394 146 HB3 GLN 24 2HB GLN 24 -13.611 0.668 7.120 147 HG2 GLN 24 1HG GLN 24 -15.541 -1.092 7.421 148 HG3 GLN 24 2HG GLN 24 -14.812 -1.278 9.016 149 HE21 GLN 24 1HE2 GLN 24 -14.009 1.278 9.554 150 HE22 GLN 24 2HE2 GLN 24 -15.389 2.308 9.691 151 H THR 25 H THR 25 -13.288 -0.305 4.243 152 HA THR 25 HA THR 25 -10.670 -0.440 3.319 153 HB THR 25 HB THR 25 -11.296 1.305 1.690 154 HG1 THR 25 HG1 THR 25 -13.270 2.337 1.865 155 HG21 THR 25 3HG2 THR 25 -12.350 -1.225 1.926 156 HG22 THR 25 1HG2 THR 25 -12.471 -0.192 0.502 157 HG23 THR 25 2HG2 THR 25 -13.782 -0.227 1.681 158 H THR 26 H THR 26 -12.319 2.192 5.031 159 HA THR 26 HA THR 26 -10.427 4.175 4.910 160 HB THR 26 HB THR 26 -11.222 4.795 7.274 161 HG1 THR 26 HG1 THR 26 -12.530 3.441 8.250 162 HG21 THR 26 3HG2 THR 26 -13.505 4.416 5.369 163 HG22 THR 26 1HG2 THR 26 -12.181 5.512 4.975 164 HG23 THR 26 2HG2 THR 26 -13.151 5.784 6.423 165 H HIS 27 H HIS 27 -10.672 1.759 7.529 166 HA HIS 27 HA HIS 27 -8.470 2.374 8.999 167 HB2 HIS 27 1HB HIS 27 -10.206 0.395 9.173 168 HB3 HIS 27 2HB HIS 27 -8.927 -0.514 8.374 169 HD1 HIS 27 HD1 HIS 27 -9.795 -1.209 11.240 170 HD2 HIS 27 HD2 HIS 27 -6.654 1.347 10.308 171 HE1 HIS 27 HE1 HIS 27 -8.298 -1.217 13.261 172 H LEU 28 H LEU 28 -8.512 0.364 6.071 173 HA LEU 28 HA LEU 28 -5.803 -0.305 6.020 174 HB2 LEU 28 1HB LEU 28 -7.224 -1.475 4.569 175 HB3 LEU 28 2HB LEU 28 -7.872 0.008 3.871 176 HG LEU 28 HG LEU 28 -5.694 0.393 2.763 177 HD11 LEU 28 1HD1 LEU 28 -3.972 -0.646 3.768 178 HD12 LEU 28 2HD1 LEU 28 -4.406 -1.977 2.696 179 HD13 LEU 28 3HD1 LEU 28 -4.977 -1.968 4.364 180 HD21 LEU 28 3HD2 LEU 28 -6.296 -0.843 0.972 181 HD22 LEU 28 1HD2 LEU 28 -7.725 -1.168 1.954 182 HD23 LEU 28 2HD2 LEU 28 -6.406 -2.338 1.902 183 H ILE 29 H ILE 29 -7.482 2.407 4.441 184 HA ILE 29 HA ILE 29 -5.245 3.563 3.230 185 HB ILE 29 HB ILE 29 -7.688 4.994 4.281 186 HG12 ILE 29 1HG1 ILE 29 -7.290 4.161 1.430 187 HG13 ILE 29 2HG1 ILE 29 -7.898 2.992 2.598 188 HG21 ILE 29 1HG2 ILE 29 -5.559 6.296 3.594 189 HG22 ILE 29 2HG2 ILE 29 -6.029 5.866 1.951 190 HG23 ILE 29 3HG2 ILE 29 -7.122 6.811 2.961 191 HD11 ILE 29 3HD1 ILE 29 -9.292 5.064 1.217 192 HD12 ILE 29 1HD1 ILE 29 -9.928 3.792 2.260 193 HD13 ILE 29 2HD1 ILE 29 -9.410 5.327 2.957 194 H GLN 30 H GLN 30 -6.685 4.162 6.419 195 HA GLN 30 HA GLN 30 -4.934 6.225 7.190 196 HB2 GLN 30 1HB GLN 30 -6.634 4.286 8.739 197 HB3 GLN 30 2HB GLN 30 -5.611 5.462 9.554 198 HG2 GLN 30 1HG GLN 30 -8.052 6.073 9.184 199 HG3 GLN 30 2HG GLN 30 -6.834 7.270 8.743 200 HE21 GLN 30 1HE2 GLN 30 -9.529 5.576 7.726 201 HE22 GLN 30 2HE2 GLN 30 -9.447 5.939 6.039 202 H HIS 31 H HIS 31 -4.561 2.791 7.069 203 HA HIS 31 HA HIS 31 -2.339 2.672 8.889 204 HB2 HIS 31 1HB HIS 31 -3.501 0.653 8.773 205 HB3 HIS 31 2HB HIS 31 -3.654 0.728 7.020 206 HD1 HIS 31 HD1 HIS 31 -1.039 0.066 9.679 207 HD2 HIS 31 HD2 HIS 31 -1.731 -0.639 5.643 208 HE1 HIS 31 HE1 HIS 31 0.810 -1.469 8.938 209 H GLN 32 H GLN 32 -2.788 3.114 5.461 210 HA GLN 32 HA GLN 32 -0.195 2.488 4.584 211 HB2 GLN 32 1HB GLN 32 -2.126 4.506 3.428 212 HB3 GLN 32 2HB GLN 32 -0.740 3.814 2.596 213 HG2 GLN 32 1HG GLN 32 -1.950 1.550 3.187 214 HG3 GLN 32 2HG GLN 32 -3.367 2.598 3.249 215 HE21 GLN 32 1HE2 GLN 32 -3.263 0.611 1.413 216 HE22 GLN 32 2HE2 GLN 32 -3.058 1.268 -0.171 217 H ARG 33 H ARG 33 -1.240 4.960 6.596 218 HA ARG 33 HA ARG 33 0.476 7.069 5.804 219 HB2 ARG 33 1HB ARG 33 -0.790 6.446 8.477 220 HB3 ARG 33 2HB ARG 33 0.060 7.941 8.108 221 HG2 ARG 33 1HG ARG 33 -1.585 8.330 6.270 222 HG3 ARG 33 2HG ARG 33 -2.485 6.933 6.863 223 HD2 ARG 33 1HD ARG 33 -2.806 8.007 9.007 224 HD3 ARG 33 2HD ARG 33 -1.809 9.371 8.503 225 HE ARG 33 HE ARG 33 -3.892 9.130 6.672 226 HH11 ARG 33 1HH1 ARG 33 -3.446 9.857 10.048 227 HH12 ARG 33 2HH1 ARG 33 -4.847 10.871 10.149 228 HH21 ARG 33 1HH2 ARG 33 -5.739 10.463 6.793 229 HH22 ARG 33 2HH2 ARG 33 -6.151 11.214 8.297 230 H VAL 34 H VAL 34 0.936 4.192 7.694 231 HA VAL 34 HA VAL 34 3.387 5.052 8.926 232 HB VAL 34 HB VAL 34 3.567 2.857 9.820 233 HG11 VAL 34 1HG1 VAL 34 0.913 4.138 9.786 234 HG12 VAL 34 2HG1 VAL 34 0.960 2.477 10.381 235 HG13 VAL 34 3HG1 VAL 34 1.955 3.718 11.145 236 HG21 VAL 34 3HG2 VAL 34 3.179 1.125 8.475 237 HG22 VAL 34 1HG2 VAL 34 1.460 1.356 8.796 238 HG23 VAL 34 2HG2 VAL 34 2.202 2.109 7.384 239 H HIS 35 H HIS 35 2.498 3.742 5.891 240 HA HIS 35 HA HIS 35 5.153 2.693 5.328 241 HB2 HIS 35 1HB HIS 35 2.578 2.762 3.763 242 HB3 HIS 35 2HB HIS 35 4.097 2.236 3.044 243 HD1 HIS 35 HD1 HIS 35 5.242 0.480 5.228 244 HD2 HIS 35 HD2 HIS 35 1.228 0.449 4.156 245 HE1 HIS 35 HE1 HIS 35 4.367 -1.760 5.964 246 H THR 36 H THR 36 3.394 5.596 4.974 247 HA THR 36 HA THR 36 5.249 6.585 2.919 248 HB THR 36 HB THR 36 2.821 6.852 2.458 249 HG1 THR 36 HG1 THR 36 3.081 8.925 1.705 250 HG21 THR 36 3HG2 THR 36 2.672 9.029 4.484 251 HG22 THR 36 1HG2 THR 36 2.445 7.367 5.026 252 HG23 THR 36 2HG2 THR 36 1.384 8.044 3.790 253 H GLY 37 H GLY 37 4.264 6.967 6.229 254 HA2 GLY 37 1HA GLY 37 5.988 9.339 6.498 255 HA3 GLY 37 2HA GLY 37 4.741 8.858 7.639 256 H GLU 38 H GLU 38 7.517 7.178 6.158 257 HA GLU 38 HA GLU 38 8.398 6.480 8.883 258 HB2 GLU 38 1HB GLU 38 7.588 4.507 7.719 259 HB3 GLU 38 2HB GLU 38 8.625 4.858 6.344 260 HG2 GLU 38 1HG GLU 38 9.628 3.110 7.607 261 HG3 GLU 38 2HG GLU 38 10.594 4.567 7.827 262 H LYS 39 H LYS 39 10.588 6.557 9.347 263 HA LYS 39 HA LYS 39 12.304 7.764 7.279 264 HB2 LYS 39 1HB LYS 39 13.405 9.062 9.088 265 HB3 LYS 39 2HB LYS 39 11.719 9.501 8.849 266 HG2 LYS 39 1HG LYS 39 12.349 7.448 10.898 267 HG3 LYS 39 2HG LYS 39 12.734 9.134 11.253 268 HD2 LYS 39 1HD LYS 39 10.281 9.532 10.389 269 HD3 LYS 39 2HD LYS 39 10.085 7.833 10.827 270 HE2 LYS 39 1HE LYS 39 11.220 8.595 13.060 271 HE3 LYS 39 2HE LYS 39 10.666 10.193 12.562 272 HZ1 LYS 39 3HZ LYS 39 8.422 8.974 12.235 273 HZ2 LYS 39 1HZ LYS 39 8.902 9.431 13.792 274 HZ3 LYS 39 2HZ LYS 39 9.081 7.826 13.289 275 HA PRO 40 HA PRO 40 15.217 4.586 8.117 276 HB2 PRO 40 1HB PRO 40 17.546 5.877 7.585 277 HB3 PRO 40 2HB PRO 40 16.412 5.381 6.323 278 HG2 PRO 40 1HG PRO 40 16.779 8.068 7.590 279 HG3 PRO 40 2HG PRO 40 16.539 7.661 5.881 280 HD2 PRO 40 1HD PRO 40 14.535 8.574 7.457 281 HD3 PRO 40 2HD PRO 40 14.259 7.431 6.127 282 H SER 41 H SER 41 14.700 4.599 10.438 283 HA SER 41 HA SER 41 16.800 5.887 12.055 284 HB2 SER 41 1HB SER 41 13.937 5.197 12.675 285 HB3 SER 41 2HB SER 41 15.114 5.434 13.967 286 HG SER 41 HG SER 41 15.531 7.487 12.592 287 H GLY 42 H GLY 42 14.596 3.148 12.623 288 HA2 GLY 42 1HA GLY 42 15.852 0.903 12.353 289 HA3 GLY 42 2HA GLY 42 16.916 1.603 13.563 290 HA PRO 43 HA PRO 43 13.735 -0.851 15.823 291 HB2 PRO 43 1HB PRO 43 15.487 -1.870 17.628 292 HB3 PRO 43 2HB PRO 43 15.201 -2.606 16.047 293 HG2 PRO 43 1HG PRO 43 17.426 -0.805 16.924 294 HG3 PRO 43 2HG PRO 43 17.499 -2.271 15.929 295 HD2 PRO 43 1HD PRO 43 17.573 0.218 14.864 296 HD3 PRO 43 2HD PRO 43 16.838 -1.160 14.020 297 H SER 44 H SER 44 16.110 1.517 16.713 298 HA SER 44 HA SER 44 15.600 1.910 19.401 299 HB2 SER 44 1HB SER 44 17.394 3.084 18.246 300 HB3 SER 44 2HB SER 44 16.221 3.986 17.286 301 HG SER 44 HG SER 44 17.224 4.700 19.574 302 H SER 45 H SER 45 13.910 2.592 20.541 303 HA SER 45 HA SER 45 11.481 3.343 19.173 304 HB2 SER 45 1HB SER 45 11.589 1.817 21.200 305 HB3 SER 45 2HB SER 45 11.933 3.256 22.160 306 HG SER 45 HG SER 45 9.731 3.345 20.455 307 H GLY 46 H GLY 46 10.158 5.187 20.194 308 HA2 GLY 46 1HA GLY 46 11.497 7.391 21.368 309 HA3 GLY 46 2HA GLY 46 11.391 7.617 19.629 Start of MODEL 8 1 H1 GLY 1 H GLY 1 7.533 -25.244 3.627 2 HA2 GLY 1 1HA GLY 1 4.740 -25.725 3.609 3 HA3 GLY 1 2HA GLY 1 5.676 -25.141 4.977 4 H SER 2 H SER 2 3.414 -24.347 2.576 5 HA SER 2 HA SER 2 3.641 -21.486 3.251 6 HB2 SER 2 1HB SER 2 3.907 -22.389 0.777 7 HB3 SER 2 2HB SER 2 2.144 -22.396 0.827 8 HG SER 2 HG SER 2 2.551 -20.123 1.722 9 H SER 3 H SER 3 1.669 -20.298 3.497 10 HA SER 3 HA SER 3 -0.161 -21.286 5.230 11 HB2 SER 3 1HB SER 3 -1.602 -19.444 4.676 12 HB3 SER 3 2HB SER 3 0.061 -18.889 4.485 13 HG SER 3 HG SER 3 -1.699 -19.727 2.421 14 H GLY 4 H GLY 4 -2.304 -22.086 5.108 15 HA2 GLY 4 1HA GLY 4 -2.797 -23.638 2.650 16 HA3 GLY 4 2HA GLY 4 -3.363 -24.082 4.254 17 H SER 5 H SER 5 -5.521 -24.127 4.031 18 HA SER 5 HA SER 5 -7.028 -22.433 2.371 19 HB2 SER 5 1HB SER 5 -7.964 -23.910 4.843 20 HB3 SER 5 2HB SER 5 -8.984 -23.310 3.537 21 HG SER 5 HG SER 5 -6.877 -25.069 2.951 22 H SER 6 H SER 6 -8.484 -20.734 2.925 23 HA SER 6 HA SER 6 -7.372 -18.928 4.890 24 HB2 SER 6 1HB SER 6 -9.491 -18.686 2.768 25 HB3 SER 6 2HB SER 6 -9.288 -17.430 3.990 26 HG SER 6 HG SER 6 -7.995 -17.543 1.798 27 H GLY 7 H GLY 7 -7.876 -19.863 6.878 28 HA2 GLY 7 1HA GLY 7 -10.309 -20.896 7.703 29 HA3 GLY 7 2HA GLY 7 -9.147 -20.125 8.772 30 H THR 8 H THR 8 -9.230 -17.521 7.751 31 HA THR 8 HA THR 8 -11.901 -16.714 8.663 32 HB THR 8 HB THR 8 -10.831 -14.448 8.961 33 HG1 THR 8 HG1 THR 8 -8.946 -14.300 7.998 34 HG21 THR 8 3HG2 THR 8 -9.453 -16.628 10.522 35 HG22 THR 8 1HG2 THR 8 -11.132 -16.160 10.787 36 HG23 THR 8 2HG2 THR 8 -9.838 -14.993 11.059 37 H GLY 9 H GLY 9 -13.274 -15.597 7.392 38 HA2 GLY 9 1HA GLY 9 -12.986 -15.569 4.616 39 HA3 GLY 9 2HA GLY 9 -14.157 -14.616 5.515 40 H GLU 10 H GLU 10 -11.021 -14.637 4.000 41 HA GLU 10 HA GLU 10 -9.912 -12.260 4.759 42 HB2 GLU 10 1HB GLU 10 -8.873 -12.154 2.532 43 HB3 GLU 10 2HB GLU 10 -8.819 -13.779 3.201 44 HG2 GLU 10 1HG GLU 10 -10.778 -14.373 1.823 45 HG3 GLU 10 2HG GLU 10 -10.723 -12.766 1.103 46 H LYS 11 H LYS 11 -9.829 -10.164 3.609 47 HA LYS 11 HA LYS 11 -12.507 -9.384 2.656 48 HB2 LYS 11 1HB LYS 11 -10.528 -7.947 4.403 49 HB3 LYS 11 2HB LYS 11 -11.748 -7.056 3.502 50 HG2 LYS 11 1HG LYS 11 -12.449 -9.308 5.359 51 HG3 LYS 11 2HG LYS 11 -12.295 -7.636 5.903 52 HD2 LYS 11 1HD LYS 11 -14.034 -8.281 3.559 53 HD3 LYS 11 2HD LYS 11 -14.626 -8.572 5.196 54 HE2 LYS 11 1HE LYS 11 -14.269 -6.250 5.774 55 HE3 LYS 11 2HE LYS 11 -13.552 -5.938 4.194 56 HZ1 LYS 11 3HZ LYS 11 -16.285 -5.940 4.943 57 HZ2 LYS 11 1HZ LYS 11 -16.024 -7.055 3.697 58 HZ3 LYS 11 2HZ LYS 11 -15.577 -5.436 3.491 59 HA PRO 12 HA PRO 12 -10.764 -7.923 -1.098 60 HB2 PRO 12 1HB PRO 12 -12.318 -5.757 -1.613 61 HB3 PRO 12 2HB PRO 12 -12.903 -7.418 -1.765 62 HG2 PRO 12 1HG PRO 12 -13.284 -5.473 0.479 63 HG3 PRO 12 2HG PRO 12 -14.462 -6.575 -0.259 64 HD2 PRO 12 1HD PRO 12 -13.221 -7.125 2.084 65 HD3 PRO 12 2HD PRO 12 -13.699 -8.392 0.936 66 H TYR 13 H TYR 13 -10.383 -6.281 1.763 67 HA TYR 13 HA TYR 13 -8.758 -4.176 0.493 68 HB2 TYR 13 1HB TYR 13 -9.799 -4.075 3.319 69 HB3 TYR 13 2HB TYR 13 -9.176 -2.753 2.339 70 HD1 TYR 13 HD2 TYR 13 -10.555 -2.402 0.060 71 HD2 TYR 13 HD1 TYR 13 -12.081 -4.179 3.611 72 HE1 TYR 13 HE2 TYR 13 -12.842 -1.845 -0.652 73 HE2 TYR 13 HE1 TYR 13 -14.373 -3.629 2.909 74 HH TYR 13 HH TYR 13 -15.499 -3.202 0.474 75 H GLU 14 H GLU 14 -6.670 -4.658 0.540 76 HA GLU 14 HA GLU 14 -5.457 -5.518 3.040 77 HB2 GLU 14 1HB GLU 14 -6.108 -7.538 1.519 78 HB3 GLU 14 2HB GLU 14 -4.720 -7.038 0.564 79 HG2 GLU 14 1HG GLU 14 -3.265 -7.313 2.478 80 HG3 GLU 14 2HG GLU 14 -4.644 -7.734 3.491 81 H CYS 15 H CYS 15 -3.500 -4.627 3.351 82 HA CYS 15 HA CYS 15 -2.570 -2.605 1.620 83 HB2 CYS 15 1HB CYS 15 -2.183 -2.696 4.094 84 HB3 CYS 15 2HB CYS 15 -1.013 -3.983 3.816 85 H LYS 16 H LYS 16 -1.338 -2.704 -0.132 86 HA LYS 16 HA LYS 16 -0.085 -5.245 -0.838 87 HB2 LYS 16 1HB LYS 16 -1.579 -3.696 -2.368 88 HB3 LYS 16 2HB LYS 16 -0.056 -2.860 -2.640 89 HG2 LYS 16 1HG LYS 16 0.846 -4.588 -3.814 90 HG3 LYS 16 2HG LYS 16 -0.088 -5.811 -2.948 91 HD2 LYS 16 1HD LYS 16 -1.562 -3.887 -4.670 92 HD3 LYS 16 2HD LYS 16 -0.624 -5.155 -5.461 93 HE2 LYS 16 1HE LYS 16 -2.654 -5.670 -3.294 94 HE3 LYS 16 2HE LYS 16 -3.024 -5.729 -5.017 95 HZ1 LYS 16 3HZ LYS 16 -2.052 -7.713 -5.230 96 HZ2 LYS 16 1HZ LYS 16 -2.170 -7.819 -3.545 97 HZ3 LYS 16 2HZ LYS 16 -0.729 -7.297 -4.260 98 H GLU 17 H GLU 17 1.040 -3.488 1.233 99 HA GLU 17 HA GLU 17 3.649 -2.948 -0.027 100 HB2 GLU 17 1HB GLU 17 2.719 -1.539 2.456 101 HB3 GLU 17 2HB GLU 17 3.979 -1.064 1.327 102 HG2 GLU 17 1HG GLU 17 1.176 -1.219 0.350 103 HG3 GLU 17 2HG GLU 17 1.652 0.142 1.364 104 H CYS 18 H CYS 18 1.943 -4.083 2.839 105 HA CYS 18 HA CYS 18 4.388 -5.516 3.635 106 HB2 CYS 18 1HB CYS 18 3.834 -5.154 5.983 107 HB3 CYS 18 2HB CYS 18 3.999 -3.611 5.153 108 H GLY 19 H GLY 19 0.854 -5.395 3.735 109 HA2 GLY 19 1HA GLY 19 -0.339 -7.421 3.069 110 HA3 GLY 19 2HA GLY 19 0.866 -8.340 3.960 111 H LYS 20 H LYS 20 -1.893 -6.186 4.252 112 HA LYS 20 HA LYS 20 -2.640 -7.471 6.732 113 HB2 LYS 20 1HB LYS 20 -1.084 -5.561 7.345 114 HB3 LYS 20 2HB LYS 20 -2.315 -4.471 6.722 115 HG2 LYS 20 1HG LYS 20 -3.864 -5.119 8.391 116 HG3 LYS 20 2HG LYS 20 -2.855 -6.478 8.892 117 HD2 LYS 20 1HD LYS 20 -1.109 -4.849 9.588 118 HD3 LYS 20 2HD LYS 20 -2.236 -3.543 9.212 119 HE2 LYS 20 1HE LYS 20 -3.840 -4.795 10.811 120 HE3 LYS 20 2HE LYS 20 -2.382 -5.604 11.381 121 HZ1 LYS 20 3HZ LYS 20 -1.614 -3.733 12.357 122 HZ2 LYS 20 1HZ LYS 20 -3.259 -3.342 12.417 123 HZ3 LYS 20 2HZ LYS 20 -2.281 -2.698 11.197 124 H ALA 21 H ALA 21 -4.767 -7.770 6.718 125 HA ALA 21 HA ALA 21 -6.387 -6.267 4.806 126 HB1 ALA 21 3HB ALA 21 -7.220 -8.655 6.441 127 HB2 ALA 21 1HB ALA 21 -8.011 -7.996 5.009 128 HB3 ALA 21 2HB ALA 21 -6.433 -8.771 4.867 129 H PHE 22 H PHE 22 -8.316 -5.222 5.378 130 HA PHE 22 HA PHE 22 -8.768 -4.789 8.246 131 HB2 PHE 22 1HB PHE 22 -8.727 -2.578 6.183 132 HB3 PHE 22 2HB PHE 22 -9.031 -2.395 7.907 133 HD1 PHE 22 HD1 PHE 22 -6.455 -3.373 5.435 134 HD2 PHE 22 HD2 PHE 22 -7.267 -2.107 9.417 135 HE1 PHE 22 HE1 PHE 22 -4.047 -3.045 5.818 136 HE2 PHE 22 HE2 PHE 22 -4.861 -1.776 9.806 137 HZ PHE 22 HZ PHE 22 -3.247 -2.244 8.005 138 H SER 23 H SER 23 -10.846 -4.897 8.829 139 HA SER 23 HA SER 23 -12.842 -5.870 7.223 140 HB2 SER 23 1HB SER 23 -13.194 -5.953 9.562 141 HB3 SER 23 2HB SER 23 -12.980 -4.211 9.738 142 HG SER 23 HG SER 23 -15.224 -5.625 9.163 143 H GLN 24 H GLN 24 -12.190 -2.468 7.997 144 HA GLN 24 HA GLN 24 -14.092 -1.685 5.895 145 HB2 GLN 24 1HB GLN 24 -13.053 -0.247 8.325 146 HB3 GLN 24 2HB GLN 24 -13.828 0.619 7.006 147 HG2 GLN 24 1HG GLN 24 -15.204 -1.706 8.270 148 HG3 GLN 24 2HG GLN 24 -15.216 -0.132 9.063 149 HE21 GLN 24 1HE2 GLN 24 -16.293 1.588 8.088 150 HE22 GLN 24 2HE2 GLN 24 -17.457 1.347 6.834 151 H THR 25 H THR 25 -13.499 0.120 4.512 152 HA THR 25 HA THR 25 -10.867 -0.192 3.454 153 HB THR 25 HB THR 25 -12.982 1.856 2.762 154 HG1 THR 25 HG1 THR 25 -13.248 -0.603 2.439 155 HG21 THR 25 3HG2 THR 25 -10.404 2.102 2.114 156 HG22 THR 25 1HG2 THR 25 -11.702 2.565 1.014 157 HG23 THR 25 2HG2 THR 25 -10.900 1.005 0.827 158 H THR 26 H THR 26 -12.533 2.396 5.215 159 HA THR 26 HA THR 26 -10.557 4.345 5.113 160 HB THR 26 HB THR 26 -12.645 5.014 5.982 161 HG1 THR 26 HG1 THR 26 -12.024 5.988 7.900 162 HG21 THR 26 3HG2 THR 26 -12.299 2.807 8.008 163 HG22 THR 26 1HG2 THR 26 -13.539 2.939 6.761 164 HG23 THR 26 2HG2 THR 26 -13.539 4.055 8.126 165 H HIS 27 H HIS 27 -10.738 1.440 7.017 166 HA HIS 27 HA HIS 27 -8.773 2.164 8.947 167 HB2 HIS 27 1HB HIS 27 -10.160 -0.347 8.143 168 HB3 HIS 27 2HB HIS 27 -8.663 -0.497 9.059 169 HD1 HIS 27 HD1 HIS 27 -9.051 -0.647 11.485 170 HD2 HIS 27 HD2 HIS 27 -11.981 1.620 9.603 171 HE1 HIS 27 HE1 HIS 27 -10.646 0.037 13.306 172 H LEU 28 H LEU 28 -8.685 0.474 5.851 173 HA LEU 28 HA LEU 28 -5.964 -0.306 5.998 174 HB2 LEU 28 1HB LEU 28 -7.344 -1.466 4.478 175 HB3 LEU 28 2HB LEU 28 -7.897 0.027 3.723 176 HG LEU 28 HG LEU 28 -5.656 0.343 2.752 177 HD11 LEU 28 1HD1 LEU 28 -3.894 -1.085 3.063 178 HD12 LEU 28 2HD1 LEU 28 -4.928 -2.447 3.495 179 HD13 LEU 28 3HD1 LEU 28 -4.646 -1.152 4.657 180 HD21 LEU 28 3HD2 LEU 28 -7.277 -2.098 2.191 181 HD22 LEU 28 1HD2 LEU 28 -5.767 -1.842 1.317 182 HD23 LEU 28 2HD2 LEU 28 -7.056 -0.643 1.219 183 H ILE 29 H ILE 29 -7.603 2.477 4.536 184 HA ILE 29 HA ILE 29 -5.384 3.648 3.309 185 HB ILE 29 HB ILE 29 -7.779 5.038 4.517 186 HG12 ILE 29 1HG1 ILE 29 -7.329 4.271 1.632 187 HG13 ILE 29 2HG1 ILE 29 -8.194 3.238 2.766 188 HG21 ILE 29 1HG2 ILE 29 -5.718 6.435 3.991 189 HG22 ILE 29 2HG2 ILE 29 -6.032 6.059 2.297 190 HG23 ILE 29 3HG2 ILE 29 -7.234 6.937 3.243 191 HD11 ILE 29 3HD1 ILE 29 -9.137 6.012 2.652 192 HD12 ILE 29 1HD1 ILE 29 -9.357 5.078 1.172 193 HD13 ILE 29 2HD1 ILE 29 -10.042 4.499 2.691 194 H GLN 30 H GLN 30 -6.717 4.159 6.564 195 HA GLN 30 HA GLN 30 -4.931 6.132 7.402 196 HB2 GLN 30 1HB GLN 30 -6.511 4.048 8.885 197 HB3 GLN 30 2HB GLN 30 -5.447 5.160 9.737 198 HG2 GLN 30 1HG GLN 30 -7.601 6.109 7.878 199 HG3 GLN 30 2HG GLN 30 -7.895 5.789 9.586 200 HE21 GLN 30 1HE2 GLN 30 -7.444 8.199 7.548 201 HE22 GLN 30 2HE2 GLN 30 -6.603 9.331 8.545 202 H HIS 31 H HIS 31 -4.679 2.608 7.524 203 HA HIS 31 HA HIS 31 -2.313 2.450 9.027 204 HB2 HIS 31 1HB HIS 31 -3.343 0.398 8.853 205 HB3 HIS 31 2HB HIS 31 -3.759 0.629 7.157 206 HD1 HIS 31 HD1 HIS 31 -0.539 0.191 9.153 207 HD2 HIS 31 HD2 HIS 31 -2.278 -0.952 5.557 208 HE1 HIS 31 HE1 HIS 31 1.137 -1.322 8.046 209 H GLN 32 H GLN 32 -2.824 2.541 5.512 210 HA GLN 32 HA GLN 32 -0.335 2.169 4.524 211 HB2 GLN 32 1HB GLN 32 -2.210 4.376 3.654 212 HB3 GLN 32 2HB GLN 32 -0.905 3.694 2.692 213 HG2 GLN 32 1HG GLN 32 -2.213 1.450 3.158 214 HG3 GLN 32 2HG GLN 32 -3.563 2.564 3.364 215 HE21 GLN 32 1HE2 GLN 32 -2.517 0.543 1.242 216 HE22 GLN 32 2HE2 GLN 32 -2.774 1.390 -0.242 217 H ARG 33 H ARG 33 -1.409 4.867 6.428 218 HA ARG 33 HA ARG 33 0.319 6.884 5.896 219 HB2 ARG 33 1HB ARG 33 -0.488 5.841 8.615 220 HB3 ARG 33 2HB ARG 33 0.307 7.388 8.351 221 HG2 ARG 33 1HG ARG 33 -2.250 6.727 6.947 222 HG3 ARG 33 2HG ARG 33 -2.252 7.326 8.607 223 HD2 ARG 33 1HD ARG 33 -0.813 9.237 7.761 224 HD3 ARG 33 2HD ARG 33 -1.219 8.691 6.135 225 HE ARG 33 HE ARG 33 -3.613 8.979 7.488 226 HH11 ARG 33 1HH1 ARG 33 -0.949 11.005 6.532 227 HH12 ARG 33 2HH1 ARG 33 -1.918 12.435 6.388 228 HH21 ARG 33 1HH2 ARG 33 -4.900 10.853 7.302 229 HH22 ARG 33 2HH2 ARG 33 -4.165 12.347 6.828 230 H VAL 34 H VAL 34 1.061 4.006 7.838 231 HA VAL 34 HA VAL 34 3.602 4.604 8.694 232 HB VAL 34 HB VAL 34 4.031 2.264 8.888 233 HG11 VAL 34 1HG1 VAL 34 1.322 1.697 9.374 234 HG12 VAL 34 2HG1 VAL 34 2.536 2.250 10.530 235 HG13 VAL 34 3HG1 VAL 34 1.532 3.422 9.674 236 HG21 VAL 34 3HG2 VAL 34 2.479 0.604 7.790 237 HG22 VAL 34 1HG2 VAL 34 1.882 1.940 6.806 238 HG23 VAL 34 2HG2 VAL 34 3.575 1.457 6.704 239 H HIS 35 H HIS 35 2.593 3.417 5.526 240 HA HIS 35 HA HIS 35 5.330 3.308 4.569 241 HB2 HIS 35 1HB HIS 35 2.837 2.996 2.901 242 HB3 HIS 35 2HB HIS 35 4.450 2.370 2.573 243 HD1 HIS 35 HD1 HIS 35 5.239 0.622 4.673 244 HD2 HIS 35 HD2 HIS 35 1.204 1.046 3.780 245 HE1 HIS 35 HE1 HIS 35 4.123 -1.425 5.615 246 H THR 36 H THR 36 2.518 5.382 4.313 247 HA THR 36 HA THR 36 4.180 7.355 2.898 248 HB THR 36 HB THR 36 2.776 6.661 1.159 249 HG1 THR 36 HG1 THR 36 1.081 8.435 1.164 250 HG21 THR 36 3HG2 THR 36 0.366 6.789 2.964 251 HG22 THR 36 1HG2 THR 36 1.282 5.308 2.685 252 HG23 THR 36 2HG2 THR 36 0.470 6.110 1.340 253 H GLY 37 H GLY 37 4.489 8.115 5.136 254 HA2 GLY 37 1HA GLY 37 2.184 9.272 6.467 255 HA3 GLY 37 2HA GLY 37 3.845 9.295 7.042 256 H GLU 38 H GLU 38 4.381 11.356 7.355 257 HA GLU 38 HA GLU 38 3.331 13.456 5.678 258 HB2 GLU 38 1HB GLU 38 3.885 13.506 8.238 259 HB3 GLU 38 2HB GLU 38 5.512 13.880 7.686 260 HG2 GLU 38 1HG GLU 38 4.764 15.863 6.593 261 HG3 GLU 38 2HG GLU 38 3.076 15.448 6.885 262 H LYS 39 H LYS 39 4.710 11.778 4.063 263 HA LYS 39 HA LYS 39 7.149 13.308 3.434 264 HB2 LYS 39 1HB LYS 39 8.167 11.292 2.563 265 HB3 LYS 39 2HB LYS 39 7.655 11.014 4.222 266 HG2 LYS 39 1HG LYS 39 6.902 9.095 3.278 267 HG3 LYS 39 2HG LYS 39 5.481 10.109 3.017 268 HD2 LYS 39 1HD LYS 39 5.742 9.266 0.909 269 HD3 LYS 39 2HD LYS 39 6.762 10.701 0.778 270 HE2 LYS 39 1HE LYS 39 8.182 9.116 -0.063 271 HE3 LYS 39 2HE LYS 39 8.619 9.049 1.644 272 HZ1 LYS 39 3HZ LYS 39 8.165 6.868 0.401 273 HZ2 LYS 39 1HZ LYS 39 6.530 7.271 0.565 274 HZ3 LYS 39 2HZ LYS 39 7.492 7.068 1.940 275 HA PRO 40 HA PRO 40 5.291 14.197 -0.454 276 HB2 PRO 40 1HB PRO 40 7.529 14.679 -1.913 277 HB3 PRO 40 2HB PRO 40 6.915 15.804 -0.696 278 HG2 PRO 40 1HG PRO 40 9.122 13.795 -0.474 279 HG3 PRO 40 2HG PRO 40 9.068 15.467 0.115 280 HD2 PRO 40 1HD PRO 40 8.648 13.337 1.734 281 HD3 PRO 40 2HD PRO 40 7.845 14.900 1.985 282 H SER 41 H SER 41 4.646 13.100 -2.232 283 HA SER 41 HA SER 41 6.080 10.605 -2.867 284 HB2 SER 41 1HB SER 41 3.146 11.260 -3.235 285 HB3 SER 41 2HB SER 41 3.916 9.738 -3.681 286 HG SER 41 HG SER 41 2.833 10.215 -1.422 287 H GLY 42 H GLY 42 7.472 11.846 -4.289 288 HA2 GLY 42 1HA GLY 42 8.015 12.021 -6.573 289 HA3 GLY 42 2HA GLY 42 6.300 12.049 -6.956 290 HA PRO 43 HA PRO 43 8.334 16.405 -6.560 291 HB2 PRO 43 1HB PRO 43 9.308 16.779 -9.066 292 HB3 PRO 43 2HB PRO 43 10.281 16.119 -7.746 293 HG2 PRO 43 1HG PRO 43 8.873 14.683 -9.964 294 HG3 PRO 43 2HG PRO 43 10.496 14.406 -9.304 295 HD2 PRO 43 1HD PRO 43 8.370 12.870 -8.634 296 HD3 PRO 43 2HD PRO 43 9.697 13.208 -7.504 297 H SER 44 H SER 44 7.045 15.086 -9.619 298 HA SER 44 HA SER 44 4.617 16.557 -9.415 299 HB2 SER 44 1HB SER 44 4.992 17.990 -11.438 300 HB3 SER 44 2HB SER 44 5.969 18.455 -10.045 301 HG SER 44 HG SER 44 7.746 17.745 -11.026 302 H SER 45 H SER 45 3.189 16.186 -11.245 303 HA SER 45 HA SER 45 3.867 13.679 -12.618 304 HB2 SER 45 1HB SER 45 1.261 14.921 -11.775 305 HB3 SER 45 2HB SER 45 1.302 13.675 -13.022 306 HG SER 45 HG SER 45 1.948 12.214 -11.573 307 H GLY 46 H GLY 46 4.746 14.117 -14.551 308 HA2 GLY 46 1HA GLY 46 4.251 14.536 -16.870 309 HA3 GLY 46 2HA GLY 46 3.195 15.846 -16.364 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -18.025 -27.177 -9.093 2 HA2 GLY 1 1HA GLY 1 -17.335 -29.784 -8.039 3 HA3 GLY 1 2HA GLY 1 -15.979 -28.891 -8.710 4 H SER 2 H SER 2 -17.320 -29.659 -5.901 5 HA SER 2 HA SER 2 -16.147 -27.385 -4.549 6 HB2 SER 2 1HB SER 2 -19.094 -27.896 -4.595 7 HB3 SER 2 2HB SER 2 -18.361 -27.289 -3.110 8 HG SER 2 HG SER 2 -18.243 -26.093 -5.682 9 H SER 3 H SER 3 -15.442 -27.865 -2.507 10 HA SER 3 HA SER 3 -16.041 -30.573 -1.509 11 HB2 SER 3 1HB SER 3 -13.700 -30.651 -0.653 12 HB3 SER 3 2HB SER 3 -13.788 -30.569 -2.412 13 HG SER 3 HG SER 3 -13.585 -28.190 -0.943 14 H GLY 4 H GLY 4 -16.228 -27.306 -0.918 15 HA2 GLY 4 1HA GLY 4 -17.432 -26.613 1.076 16 HA3 GLY 4 2HA GLY 4 -16.503 -27.800 1.979 17 H SER 5 H SER 5 -16.847 -24.601 1.500 18 HA SER 5 HA SER 5 -14.090 -23.798 1.400 19 HB2 SER 5 1HB SER 5 -15.791 -22.321 0.484 20 HB3 SER 5 2HB SER 5 -16.601 -22.236 2.048 21 HG SER 5 HG SER 5 -15.177 -20.826 2.709 22 H SER 6 H SER 6 -12.842 -24.363 3.076 23 HA SER 6 HA SER 6 -13.781 -24.605 5.748 24 HB2 SER 6 1HB SER 6 -10.946 -24.415 4.700 25 HB3 SER 6 2HB SER 6 -11.401 -24.920 6.327 26 HG SER 6 HG SER 6 -11.947 -26.818 5.585 27 H GLY 7 H GLY 7 -11.744 -22.186 4.113 28 HA2 GLY 7 1HA GLY 7 -12.813 -20.011 5.549 29 HA3 GLY 7 2HA GLY 7 -11.320 -20.520 6.324 30 H THR 8 H THR 8 -12.475 -20.004 2.987 31 HA THR 8 HA THR 8 -9.913 -18.681 2.406 32 HB THR 8 HB THR 8 -11.895 -19.616 0.338 33 HG1 THR 8 HG1 THR 8 -9.745 -21.078 1.513 34 HG21 THR 8 3HG2 THR 8 -10.348 -18.260 -0.722 35 HG22 THR 8 1HG2 THR 8 -9.602 -19.848 -0.892 36 HG23 THR 8 2HG2 THR 8 -9.036 -18.736 0.354 37 H GLY 9 H GLY 9 -11.772 -17.184 3.813 38 HA2 GLY 9 1HA GLY 9 -12.970 -15.417 1.783 39 HA3 GLY 9 2HA GLY 9 -13.449 -15.491 3.472 40 H GLU 10 H GLU 10 -11.452 -13.974 1.164 41 HA GLU 10 HA GLU 10 -9.912 -12.604 3.256 42 HB2 GLU 10 1HB GLU 10 -8.426 -11.869 1.457 43 HB3 GLU 10 2HB GLU 10 -8.587 -13.620 1.468 44 HG2 GLU 10 1HG GLU 10 -10.395 -13.270 -0.313 45 HG3 GLU 10 2HG GLU 10 -9.731 -11.644 -0.467 46 H LYS 11 H LYS 11 -9.754 -10.323 3.269 47 HA LYS 11 HA LYS 11 -12.204 -9.009 2.496 48 HB2 LYS 11 1HB LYS 11 -9.742 -8.080 3.972 49 HB3 LYS 11 2HB LYS 11 -11.082 -7.008 3.590 50 HG2 LYS 11 1HG LYS 11 -11.653 -7.633 5.704 51 HG3 LYS 11 2HG LYS 11 -12.493 -8.879 4.778 52 HD2 LYS 11 1HD LYS 11 -10.790 -10.476 5.224 53 HD3 LYS 11 2HD LYS 11 -9.711 -9.240 5.875 54 HE2 LYS 11 1HE LYS 11 -10.540 -10.262 7.786 55 HE3 LYS 11 2HE LYS 11 -11.583 -8.852 7.611 56 HZ1 LYS 11 3HZ LYS 11 -12.277 -11.567 6.634 57 HZ2 LYS 11 1HZ LYS 11 -13.287 -10.210 6.664 58 HZ3 LYS 11 2HZ LYS 11 -12.793 -10.929 8.113 59 HA PRO 12 HA PRO 12 -10.812 -7.312 -1.319 60 HB2 PRO 12 1HB PRO 12 -12.466 -5.164 -1.468 61 HB3 PRO 12 2HB PRO 12 -13.018 -6.821 -1.734 62 HG2 PRO 12 1HG PRO 12 -13.239 -5.122 0.720 63 HG3 PRO 12 2HG PRO 12 -14.450 -6.187 -0.015 64 HD2 PRO 12 1HD PRO 12 -12.980 -6.920 2.138 65 HD3 PRO 12 2HD PRO 12 -13.529 -8.085 0.915 66 H TYR 13 H TYR 13 -10.285 -5.886 1.661 67 HA TYR 13 HA TYR 13 -8.667 -3.749 0.437 68 HB2 TYR 13 1HB TYR 13 -9.787 -3.551 3.220 69 HB3 TYR 13 2HB TYR 13 -9.191 -2.263 2.178 70 HD1 TYR 13 HD2 TYR 13 -10.582 -2.324 -0.226 71 HD2 TYR 13 HD1 TYR 13 -12.048 -3.437 3.610 72 HE1 TYR 13 HE2 TYR 13 -12.879 -1.864 -0.977 73 HE2 TYR 13 HE1 TYR 13 -14.349 -2.982 2.869 74 HH TYR 13 HH TYR 13 -15.369 -2.892 -0.013 75 H GLU 14 H GLU 14 -6.578 -4.161 0.642 76 HA GLU 14 HA GLU 14 -5.520 -5.050 3.200 77 HB2 GLU 14 1HB GLU 14 -6.038 -7.096 1.767 78 HB3 GLU 14 2HB GLU 14 -4.757 -6.546 0.697 79 HG2 GLU 14 1HG GLU 14 -3.178 -6.649 2.590 80 HG3 GLU 14 2HG GLU 14 -4.471 -7.300 3.596 81 H CYS 15 H CYS 15 -3.184 -4.826 3.343 82 HA CYS 15 HA CYS 15 -2.253 -2.600 1.697 83 HB2 CYS 15 1HB CYS 15 -2.146 -2.456 4.188 84 HB3 CYS 15 2HB CYS 15 -0.994 -3.788 4.177 85 H LYS 16 H LYS 16 -1.183 -3.121 -0.088 86 HA LYS 16 HA LYS 16 0.104 -5.633 -0.472 87 HB2 LYS 16 1HB LYS 16 -0.242 -3.134 -2.049 88 HB3 LYS 16 2HB LYS 16 1.081 -4.199 -2.506 89 HG2 LYS 16 1HG LYS 16 -0.839 -6.022 -2.377 90 HG3 LYS 16 2HG LYS 16 -1.846 -4.610 -2.707 91 HD2 LYS 16 1HD LYS 16 -1.376 -5.238 -4.850 92 HD3 LYS 16 2HD LYS 16 0.008 -4.183 -4.554 93 HE2 LYS 16 1HE LYS 16 1.292 -6.213 -3.848 94 HE3 LYS 16 2HE LYS 16 -0.072 -7.191 -4.387 95 HZ1 LYS 16 3HZ LYS 16 1.883 -6.769 -5.987 96 HZ2 LYS 16 1HZ LYS 16 1.169 -5.254 -6.224 97 HZ3 LYS 16 2HZ LYS 16 0.304 -6.662 -6.584 98 H GLU 17 H GLU 17 1.084 -2.659 0.902 99 HA GLU 17 HA GLU 17 3.851 -2.746 0.344 100 HB2 GLU 17 1HB GLU 17 2.534 -1.552 2.786 101 HB3 GLU 17 2HB GLU 17 4.097 -1.120 2.108 102 HG2 GLU 17 1HG GLU 17 1.650 -0.836 0.434 103 HG3 GLU 17 2HG GLU 17 2.003 0.367 1.673 104 H CYS 18 H CYS 18 2.026 -3.756 3.234 105 HA CYS 18 HA CYS 18 4.328 -5.428 3.995 106 HB2 CYS 18 1HB CYS 18 3.558 -5.276 6.293 107 HB3 CYS 18 2HB CYS 18 3.732 -3.657 5.623 108 H GLY 19 H GLY 19 0.781 -5.329 3.881 109 HA2 GLY 19 1HA GLY 19 -0.349 -7.262 2.891 110 HA3 GLY 19 2HA GLY 19 0.818 -8.279 3.723 111 H LYS 20 H LYS 20 -1.690 -5.844 4.398 112 HA LYS 20 HA LYS 20 -2.640 -7.545 6.587 113 HB2 LYS 20 1HB LYS 20 -1.106 -5.574 7.330 114 HB3 LYS 20 2HB LYS 20 -2.505 -4.571 6.970 115 HG2 LYS 20 1HG LYS 20 -3.801 -5.588 8.641 116 HG3 LYS 20 2HG LYS 20 -2.677 -6.939 8.805 117 HD2 LYS 20 1HD LYS 20 -1.049 -5.570 9.857 118 HD3 LYS 20 2HD LYS 20 -1.919 -4.093 9.434 119 HE2 LYS 20 1HE LYS 20 -2.577 -4.299 11.606 120 HE3 LYS 20 2HE LYS 20 -3.837 -5.262 10.836 121 HZ1 LYS 20 3HZ LYS 20 -1.337 -6.401 11.958 122 HZ2 LYS 20 1HZ LYS 20 -2.681 -7.255 11.389 123 HZ3 LYS 20 2HZ LYS 20 -2.803 -6.329 12.799 124 H ALA 21 H ALA 21 -4.750 -7.887 6.416 125 HA ALA 21 HA ALA 21 -6.326 -6.155 4.662 126 HB1 ALA 21 3HB ALA 21 -6.209 -8.906 4.952 127 HB2 ALA 21 1HB ALA 21 -7.728 -8.457 5.726 128 HB3 ALA 21 2HB ALA 21 -7.421 -7.995 4.052 129 H PHE 22 H PHE 22 -8.127 -5.052 5.318 130 HA PHE 22 HA PHE 22 -8.744 -5.114 8.197 131 HB2 PHE 22 1HB PHE 22 -8.702 -2.679 6.402 132 HB3 PHE 22 2HB PHE 22 -9.162 -2.693 8.101 133 HD1 PHE 22 HD1 PHE 22 -6.348 -3.213 5.767 134 HD2 PHE 22 HD2 PHE 22 -7.541 -2.587 9.804 135 HE1 PHE 22 HE1 PHE 22 -4.000 -2.835 6.398 136 HE2 PHE 22 HE2 PHE 22 -5.196 -2.206 10.442 137 HZ PHE 22 HZ PHE 22 -3.422 -2.329 8.738 138 H SER 23 H SER 23 -10.893 -4.868 8.795 139 HA SER 23 HA SER 23 -12.824 -5.934 7.084 140 HB2 SER 23 1HB SER 23 -13.193 -6.106 9.431 141 HB3 SER 23 2HB SER 23 -13.069 -4.360 9.650 142 HG SER 23 HG SER 23 -15.034 -4.100 8.681 143 H GLN 24 H GLN 24 -12.197 -2.566 8.005 144 HA GLN 24 HA GLN 24 -14.000 -1.717 5.836 145 HB2 GLN 24 1HB GLN 24 -13.223 -0.330 8.402 146 HB3 GLN 24 2HB GLN 24 -14.066 0.480 7.088 147 HG2 GLN 24 1HG GLN 24 -15.753 -1.495 7.342 148 HG3 GLN 24 2HG GLN 24 -15.040 -1.629 8.948 149 HE21 GLN 24 1HE2 GLN 24 -14.718 0.739 9.903 150 HE22 GLN 24 2HE2 GLN 24 -16.167 1.681 9.899 151 H THR 25 H THR 25 -13.287 -0.277 4.317 152 HA THR 25 HA THR 25 -10.618 -0.254 3.589 153 HB THR 25 HB THR 25 -12.591 1.930 2.904 154 HG1 THR 25 HG1 THR 25 -12.748 0.353 0.974 155 HG21 THR 25 3HG2 THR 25 -10.652 0.916 0.929 156 HG22 THR 25 1HG2 THR 25 -9.960 1.806 2.285 157 HG23 THR 25 2HG2 THR 25 -11.177 2.567 1.259 158 H THR 26 H THR 26 -12.442 2.234 5.351 159 HA THR 26 HA THR 26 -10.608 4.239 5.559 160 HB THR 26 HB THR 26 -11.554 4.703 7.852 161 HG1 THR 26 HG1 THR 26 -12.836 3.259 8.774 162 HG21 THR 26 3HG2 THR 26 -12.584 5.299 5.520 163 HG22 THR 26 1HG2 THR 26 -13.522 5.552 6.991 164 HG23 THR 26 2HG2 THR 26 -13.820 4.132 5.988 165 H HIS 27 H HIS 27 -10.691 1.243 7.432 166 HA HIS 27 HA HIS 27 -8.641 1.869 9.246 167 HB2 HIS 27 1HB HIS 27 -9.700 -0.745 8.185 168 HB3 HIS 27 2HB HIS 27 -8.390 -0.683 9.362 169 HD1 HIS 27 HD1 HIS 27 -11.228 -1.924 9.923 170 HD2 HIS 27 HD2 HIS 27 -9.986 1.882 11.031 171 HE1 HIS 27 HE1 HIS 27 -12.694 -1.277 11.860 172 H LEU 28 H LEU 28 -8.560 0.414 6.027 173 HA LEU 28 HA LEU 28 -5.768 -0.144 6.056 174 HB2 LEU 28 1HB LEU 28 -7.059 -1.406 4.557 175 HB3 LEU 28 2HB LEU 28 -7.841 0.028 3.894 176 HG LEU 28 HG LEU 28 -5.606 0.652 2.908 177 HD11 LEU 28 1HD1 LEU 28 -4.622 -1.295 4.541 178 HD12 LEU 28 2HD1 LEU 28 -3.784 -0.625 3.142 179 HD13 LEU 28 3HD1 LEU 28 -4.696 -2.127 2.987 180 HD21 LEU 28 3HD2 LEU 28 -7.619 -0.913 1.943 181 HD22 LEU 28 1HD2 LEU 28 -6.208 -1.939 1.685 182 HD23 LEU 28 2HD2 LEU 28 -6.256 -0.317 0.994 183 H ILE 29 H ILE 29 -7.669 2.357 4.364 184 HA ILE 29 HA ILE 29 -5.718 3.803 3.158 185 HB ILE 29 HB ILE 29 -8.134 4.850 4.628 186 HG12 ILE 29 1HG1 ILE 29 -7.635 4.528 1.664 187 HG13 ILE 29 2HG1 ILE 29 -8.445 3.317 2.653 188 HG21 ILE 29 1HG2 ILE 29 -6.645 6.691 4.511 189 HG22 ILE 29 2HG2 ILE 29 -6.180 6.296 2.857 190 HG23 ILE 29 3HG2 ILE 29 -7.803 6.896 3.196 191 HD11 ILE 29 3HD1 ILE 29 -9.377 6.131 2.142 192 HD12 ILE 29 1HD1 ILE 29 -10.069 4.649 1.482 193 HD13 ILE 29 2HD1 ILE 29 -10.173 4.976 3.212 194 H GLN 30 H GLN 30 -6.729 4.182 6.550 195 HA GLN 30 HA GLN 30 -4.869 6.197 7.192 196 HB2 GLN 30 1HB GLN 30 -6.388 4.205 8.862 197 HB3 GLN 30 2HB GLN 30 -5.279 5.363 9.583 198 HG2 GLN 30 1HG GLN 30 -6.580 7.202 8.830 199 HG3 GLN 30 2HG GLN 30 -7.586 6.156 7.830 200 HE21 GLN 30 1HE2 GLN 30 -8.038 8.012 10.210 201 HE22 GLN 30 2HE2 GLN 30 -9.011 7.069 11.282 202 H HIS 31 H HIS 31 -4.733 2.671 7.481 203 HA HIS 31 HA HIS 31 -2.280 2.490 8.824 204 HB2 HIS 31 1HB HIS 31 -3.510 0.505 8.765 205 HB3 HIS 31 2HB HIS 31 -3.806 0.625 7.033 206 HD1 HIS 31 HD1 HIS 31 -1.322 -0.591 9.523 207 HD2 HIS 31 HD2 HIS 31 -1.714 -0.319 5.395 208 HE1 HIS 31 HE1 HIS 31 0.502 -2.042 8.577 209 H GLN 32 H GLN 32 -3.034 2.655 5.373 210 HA GLN 32 HA GLN 32 -0.599 2.097 4.247 211 HB2 GLN 32 1HB GLN 32 -2.701 4.107 3.462 212 HB3 GLN 32 2HB GLN 32 -1.271 3.823 2.478 213 HG2 GLN 32 1HG GLN 32 -2.053 1.313 2.693 214 HG3 GLN 32 2HG GLN 32 -3.617 2.077 2.970 215 HE21 GLN 32 1HE2 GLN 32 -2.672 0.435 0.737 216 HE22 GLN 32 2HE2 GLN 32 -2.899 1.393 -0.683 217 H ARG 33 H ARG 33 -1.519 4.897 6.084 218 HA ARG 33 HA ARG 33 0.368 6.760 5.291 219 HB2 ARG 33 1HB ARG 33 -0.676 6.241 8.081 220 HB3 ARG 33 2HB ARG 33 0.159 7.701 7.569 221 HG2 ARG 33 1HG ARG 33 -2.288 6.846 6.103 222 HG3 ARG 33 2HG ARG 33 -2.449 7.618 7.682 223 HD2 ARG 33 1HD ARG 33 -0.835 9.392 6.690 224 HD3 ARG 33 2HD ARG 33 -1.332 8.723 5.136 225 HE ARG 33 HE ARG 33 -3.685 9.209 6.369 226 HH11 ARG 33 1HH1 ARG 33 -0.855 11.152 5.790 227 HH12 ARG 33 2HH1 ARG 33 -1.735 12.643 5.708 228 HH21 ARG 33 1HH2 ARG 33 -4.855 11.164 6.263 229 HH22 ARG 33 2HH2 ARG 33 -4.010 12.648 5.978 230 H VAL 34 H VAL 34 0.711 4.026 7.488 231 HA VAL 34 HA VAL 34 3.253 4.635 8.507 232 HB VAL 34 HB VAL 34 3.440 2.268 9.078 233 HG11 VAL 34 1HG1 VAL 34 1.094 2.057 10.185 234 HG12 VAL 34 2HG1 VAL 34 2.173 3.367 10.668 235 HG13 VAL 34 3HG1 VAL 34 0.849 3.682 9.546 236 HG21 VAL 34 3HG2 VAL 34 1.651 1.971 6.839 237 HG22 VAL 34 1HG2 VAL 34 2.607 0.751 7.681 238 HG23 VAL 34 2HG2 VAL 34 0.999 1.173 8.271 239 H HIS 35 H HIS 35 2.337 3.860 5.368 240 HA HIS 35 HA HIS 35 5.074 3.000 4.694 241 HB2 HIS 35 1HB HIS 35 2.508 2.444 3.190 242 HB3 HIS 35 2HB HIS 35 4.117 1.930 2.692 243 HD1 HIS 35 HD1 HIS 35 5.332 0.475 4.831 244 HD2 HIS 35 HD2 HIS 35 1.201 0.423 4.392 245 HE1 HIS 35 HE1 HIS 35 4.551 -1.575 6.062 246 H THR 36 H THR 36 3.796 5.734 4.967 247 HA THR 36 HA THR 36 4.241 6.707 2.225 248 HB THR 36 HB THR 36 2.991 8.688 2.802 249 HG1 THR 36 HG1 THR 36 1.943 8.480 5.060 250 HG21 THR 36 3HG2 THR 36 1.565 6.213 3.786 251 HG22 THR 36 1HG2 THR 36 1.679 6.746 2.109 252 HG23 THR 36 2HG2 THR 36 0.789 7.714 3.284 253 H GLY 37 H GLY 37 4.998 7.383 5.629 254 HA2 GLY 37 1HA GLY 37 6.601 9.592 5.409 255 HA3 GLY 37 2HA GLY 37 6.888 8.303 6.569 256 H GLU 38 H GLU 38 8.782 10.006 5.076 257 HA GLU 38 HA GLU 38 10.056 8.244 3.174 258 HB2 GLU 38 1HB GLU 38 11.664 10.006 2.870 259 HB3 GLU 38 2HB GLU 38 10.060 10.723 2.918 260 HG2 GLU 38 1HG GLU 38 10.466 11.256 5.327 261 HG3 GLU 38 2HG GLU 38 12.131 10.729 5.095 262 H LYS 39 H LYS 39 11.876 7.043 3.466 263 HA LYS 39 HA LYS 39 13.540 7.268 5.778 264 HB2 LYS 39 1HB LYS 39 11.407 5.185 5.676 265 HB3 LYS 39 2HB LYS 39 12.972 4.738 6.342 266 HG2 LYS 39 1HG LYS 39 12.651 6.913 7.761 267 HG3 LYS 39 2HG LYS 39 10.947 6.659 7.378 268 HD2 LYS 39 1HD LYS 39 11.277 5.541 9.415 269 HD3 LYS 39 2HD LYS 39 11.298 4.265 8.195 270 HE2 LYS 39 1HE LYS 39 13.719 4.229 8.232 271 HE3 LYS 39 2HE LYS 39 13.748 5.580 9.365 272 HZ1 LYS 39 3HZ LYS 39 13.796 4.024 10.937 273 HZ2 LYS 39 1HZ LYS 39 13.358 2.786 9.870 274 HZ3 LYS 39 2HZ LYS 39 12.164 3.743 10.591 275 HA PRO 40 HA PRO 40 16.413 5.226 3.165 276 HB2 PRO 40 1HB PRO 40 17.936 3.849 4.942 277 HB3 PRO 40 2HB PRO 40 18.005 5.608 4.777 278 HG2 PRO 40 1HG PRO 40 16.545 3.949 6.797 279 HG3 PRO 40 2HG PRO 40 17.488 5.431 7.038 280 HD2 PRO 40 1HD PRO 40 14.783 5.430 6.920 281 HD3 PRO 40 2HD PRO 40 15.763 6.793 6.342 282 H SER 41 H SER 41 14.072 3.512 4.833 283 HA SER 41 HA SER 41 14.874 0.840 4.450 284 HB2 SER 41 1HB SER 41 12.864 1.902 5.804 285 HB3 SER 41 2HB SER 41 11.980 1.584 4.312 286 HG SER 41 HG SER 41 13.565 -0.472 5.317 287 H GLY 42 H GLY 42 15.210 -0.212 2.615 288 HA2 GLY 42 1HA GLY 42 13.394 -0.436 0.519 289 HA3 GLY 42 2HA GLY 42 14.517 0.841 0.076 290 HA PRO 43 HA PRO 43 17.099 -3.245 0.477 291 HB2 PRO 43 1HB PRO 43 15.663 -5.545 0.593 292 HB3 PRO 43 2HB PRO 43 16.168 -4.654 2.033 293 HG2 PRO 43 1HG PRO 43 13.519 -4.656 0.639 294 HG3 PRO 43 2HG PRO 43 13.868 -4.710 2.376 295 HD2 PRO 43 1HD PRO 43 13.132 -2.434 1.109 296 HD3 PRO 43 2HD PRO 43 14.233 -2.438 2.502 297 H SER 44 H SER 44 13.950 -3.894 -1.075 298 HA SER 44 HA SER 44 15.058 -3.728 -3.701 299 HB2 SER 44 1HB SER 44 15.658 -6.095 -2.671 300 HB3 SER 44 2HB SER 44 13.996 -6.463 -3.131 301 HG SER 44 HG SER 44 14.488 -6.126 -5.230 302 H SER 45 H SER 45 13.425 -4.183 -5.382 303 HA SER 45 HA SER 45 10.685 -3.870 -4.341 304 HB2 SER 45 1HB SER 45 10.207 -2.417 -6.278 305 HB3 SER 45 2HB SER 45 11.494 -1.752 -5.273 306 HG SER 45 HG SER 45 11.979 -3.331 -7.576 307 H GLY 46 H GLY 46 12.786 -5.703 -6.221 308 HA2 GLY 46 1HA GLY 46 12.043 -7.861 -7.004 309 HA3 GLY 46 2HA GLY 46 10.497 -7.131 -7.408 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -5.855 -20.546 -16.615 2 HA2 GLY 1 1HA GLY 1 -5.782 -22.660 -15.129 3 HA3 GLY 1 2HA GLY 1 -6.204 -21.146 -14.341 4 H SER 2 H SER 2 -7.055 -23.276 -13.065 5 HA SER 2 HA SER 2 -9.753 -23.946 -13.946 6 HB2 SER 2 1HB SER 2 -9.702 -25.471 -11.928 7 HB3 SER 2 2HB SER 2 -8.487 -25.820 -13.158 8 HG SER 2 HG SER 2 -7.776 -24.059 -11.121 9 H SER 3 H SER 3 -11.106 -22.278 -13.558 10 HA SER 3 HA SER 3 -10.984 -20.430 -11.497 11 HB2 SER 3 1HB SER 3 -13.181 -21.419 -13.268 12 HB3 SER 3 2HB SER 3 -13.594 -20.370 -11.912 13 HG SER 3 HG SER 3 -12.779 -19.588 -14.228 14 H GLY 4 H GLY 4 -11.603 -20.377 -9.407 15 HA2 GLY 4 1HA GLY 4 -13.442 -21.413 -7.901 16 HA3 GLY 4 2HA GLY 4 -12.580 -22.902 -8.261 17 H SER 5 H SER 5 -12.734 -20.140 -6.279 18 HA SER 5 HA SER 5 -10.504 -21.130 -4.698 19 HB2 SER 5 1HB SER 5 -9.426 -19.519 -6.196 20 HB3 SER 5 2HB SER 5 -10.596 -18.284 -5.733 21 HG SER 5 HG SER 5 -9.787 -18.586 -3.542 22 H SER 6 H SER 6 -10.542 -20.439 -2.528 23 HA SER 6 HA SER 6 -13.186 -19.696 -1.608 24 HB2 SER 6 1HB SER 6 -10.696 -20.378 -0.025 25 HB3 SER 6 2HB SER 6 -12.325 -20.215 0.630 26 HG SER 6 HG SER 6 -12.923 -21.960 -0.795 27 H GLY 7 H GLY 7 -13.658 -17.586 -1.683 28 HA2 GLY 7 1HA GLY 7 -11.629 -15.568 -1.261 29 HA3 GLY 7 2HA GLY 7 -13.326 -15.286 -1.621 30 H THR 8 H THR 8 -14.675 -16.440 0.373 31 HA THR 8 HA THR 8 -14.793 -14.686 2.406 32 HB THR 8 HB THR 8 -16.391 -16.526 2.174 33 HG1 THR 8 HG1 THR 8 -15.996 -15.404 4.261 34 HG21 THR 8 3HG2 THR 8 -14.084 -18.140 2.273 35 HG22 THR 8 1HG2 THR 8 -15.760 -18.661 2.102 36 HG23 THR 8 2HG2 THR 8 -15.034 -18.536 3.705 37 H GLY 9 H GLY 9 -13.587 -14.056 4.085 38 HA2 GLY 9 1HA GLY 9 -12.228 -15.128 5.997 39 HA3 GLY 9 2HA GLY 9 -11.168 -15.621 4.686 40 H GLU 10 H GLU 10 -10.483 -13.736 3.220 41 HA GLU 10 HA GLU 10 -9.665 -11.523 4.975 42 HB2 GLU 10 1HB GLU 10 -8.387 -12.827 2.594 43 HB3 GLU 10 2HB GLU 10 -7.944 -11.188 3.050 44 HG2 GLU 10 1HG GLU 10 -7.108 -11.890 5.141 45 HG3 GLU 10 2HG GLU 10 -7.833 -13.488 4.975 46 H LYS 11 H LYS 11 -10.835 -9.746 4.723 47 HA LYS 11 HA LYS 11 -12.651 -9.142 2.779 48 HB2 LYS 11 1HB LYS 11 -11.031 -7.495 4.653 49 HB3 LYS 11 2HB LYS 11 -11.879 -6.651 3.364 50 HG2 LYS 11 1HG LYS 11 -13.373 -6.594 5.137 51 HG3 LYS 11 2HG LYS 11 -13.952 -7.941 4.154 52 HD2 LYS 11 1HD LYS 11 -11.988 -8.525 6.308 53 HD3 LYS 11 2HD LYS 11 -13.648 -8.152 6.779 54 HE2 LYS 11 1HE LYS 11 -14.257 -9.897 4.937 55 HE3 LYS 11 2HE LYS 11 -12.596 -10.440 5.169 56 HZ1 LYS 11 3HZ LYS 11 -13.152 -10.585 7.598 57 HZ2 LYS 11 1HZ LYS 11 -13.928 -11.716 6.608 58 HZ3 LYS 11 2HZ LYS 11 -14.775 -10.366 7.174 59 HA PRO 12 HA PRO 12 -10.593 -8.042 -0.937 60 HB2 PRO 12 1HB PRO 12 -12.077 -5.949 -1.824 61 HB3 PRO 12 2HB PRO 12 -12.661 -7.617 -1.843 62 HG2 PRO 12 1HG PRO 12 -13.223 -5.436 0.129 63 HG3 PRO 12 2HG PRO 12 -14.340 -6.615 -0.584 64 HD2 PRO 12 1HD PRO 12 -13.316 -6.901 1.906 65 HD3 PRO 12 2HD PRO 12 -13.701 -8.288 0.867 66 H TYR 13 H TYR 13 -10.446 -6.100 1.749 67 HA TYR 13 HA TYR 13 -8.777 -4.082 0.404 68 HB2 TYR 13 1HB TYR 13 -9.819 -3.833 3.215 69 HB3 TYR 13 2HB TYR 13 -9.280 -2.560 2.125 70 HD1 TYR 13 HD2 TYR 13 -10.747 -2.900 -0.286 71 HD2 TYR 13 HD1 TYR 13 -12.055 -3.574 3.706 72 HE1 TYR 13 HE2 TYR 13 -13.072 -2.511 -0.988 73 HE2 TYR 13 HE1 TYR 13 -14.384 -3.188 3.015 74 HH TYR 13 HH TYR 13 -15.701 -3.380 0.798 75 H GLU 14 H GLU 14 -6.692 -4.582 0.484 76 HA GLU 14 HA GLU 14 -5.546 -5.405 3.051 77 HB2 GLU 14 1HB GLU 14 -5.965 -7.360 1.389 78 HB3 GLU 14 2HB GLU 14 -4.594 -6.694 0.513 79 HG2 GLU 14 1HG GLU 14 -3.227 -6.918 2.557 80 HG3 GLU 14 2HG GLU 14 -4.599 -7.685 3.354 81 H CYS 15 H CYS 15 -3.251 -5.005 3.230 82 HA CYS 15 HA CYS 15 -2.467 -2.649 1.698 83 HB2 CYS 15 1HB CYS 15 -2.370 -2.803 4.256 84 HB3 CYS 15 2HB CYS 15 -0.969 -3.844 4.025 85 H LYS 16 H LYS 16 -2.049 -3.889 -0.253 86 HA LYS 16 HA LYS 16 -0.368 -5.983 -0.648 87 HB2 LYS 16 1HB LYS 16 0.119 -5.083 -2.859 88 HB3 LYS 16 2HB LYS 16 -1.573 -4.822 -2.454 89 HG2 LYS 16 1HG LYS 16 -1.079 -2.776 -3.295 90 HG3 LYS 16 2HG LYS 16 -0.635 -2.496 -1.610 91 HD2 LYS 16 1HD LYS 16 1.710 -3.104 -2.200 92 HD3 LYS 16 2HD LYS 16 1.215 -3.183 -3.892 93 HE2 LYS 16 1HE LYS 16 0.615 -0.721 -2.322 94 HE3 LYS 16 2HE LYS 16 2.264 -0.992 -2.884 95 HZ1 LYS 16 3HZ LYS 16 -0.062 -1.136 -4.708 96 HZ2 LYS 16 1HZ LYS 16 1.574 -0.979 -5.108 97 HZ3 LYS 16 2HZ LYS 16 0.749 0.316 -4.399 98 H GLU 17 H GLU 17 0.498 -2.830 0.460 99 HA GLU 17 HA GLU 17 3.223 -2.796 -0.226 100 HB2 GLU 17 1HB GLU 17 1.884 -1.550 2.181 101 HB3 GLU 17 2HB GLU 17 3.464 -1.118 1.543 102 HG2 GLU 17 1HG GLU 17 1.070 -0.944 -0.222 103 HG3 GLU 17 2HG GLU 17 1.373 0.318 0.971 104 H CYS 18 H CYS 18 1.639 -3.788 2.808 105 HA CYS 18 HA CYS 18 4.094 -5.257 3.508 106 HB2 CYS 18 1HB CYS 18 3.289 -5.122 5.857 107 HB3 CYS 18 2HB CYS 18 3.589 -3.542 5.140 108 H GLY 19 H GLY 19 0.551 -5.417 3.538 109 HA2 GLY 19 1HA GLY 19 -0.453 -7.488 2.689 110 HA3 GLY 19 2HA GLY 19 0.796 -8.361 3.564 111 H LYS 20 H LYS 20 -1.747 -5.949 4.225 112 HA LYS 20 HA LYS 20 -2.640 -7.620 6.462 113 HB2 LYS 20 1HB LYS 20 -1.112 -5.717 7.219 114 HB3 LYS 20 2HB LYS 20 -2.400 -4.627 6.724 115 HG2 LYS 20 1HG LYS 20 -3.925 -5.749 8.294 116 HG3 LYS 20 2HG LYS 20 -2.593 -6.781 8.819 117 HD2 LYS 20 1HD LYS 20 -1.385 -4.898 9.672 118 HD3 LYS 20 2HD LYS 20 -2.543 -3.770 8.964 119 HE2 LYS 20 1HE LYS 20 -3.281 -3.813 11.132 120 HE3 LYS 20 2HE LYS 20 -4.255 -5.110 10.441 121 HZ1 LYS 20 3HZ LYS 20 -1.735 -5.443 11.976 122 HZ2 LYS 20 1HZ LYS 20 -2.612 -6.703 11.264 123 HZ3 LYS 20 2HZ LYS 20 -3.294 -5.804 12.524 124 H ALA 21 H ALA 21 -4.776 -7.900 6.476 125 HA ALA 21 HA ALA 21 -6.399 -6.271 4.663 126 HB1 ALA 21 3HB ALA 21 -6.352 -8.824 4.584 127 HB2 ALA 21 1HB ALA 21 -7.317 -8.764 6.059 128 HB3 ALA 21 2HB ALA 21 -7.931 -8.039 4.573 129 H PHE 22 H PHE 22 -8.192 -5.141 5.319 130 HA PHE 22 HA PHE 22 -8.647 -4.983 8.225 131 HB2 PHE 22 1HB PHE 22 -8.860 -2.707 6.244 132 HB3 PHE 22 2HB PHE 22 -9.105 -2.603 7.984 133 HD1 PHE 22 HD1 PHE 22 -6.551 -3.418 5.417 134 HD2 PHE 22 HD2 PHE 22 -7.325 -2.126 9.398 135 HE1 PHE 22 HE1 PHE 22 -4.159 -2.927 5.719 136 HE2 PHE 22 HE2 PHE 22 -4.934 -1.632 9.706 137 HZ PHE 22 HZ PHE 22 -3.348 -2.031 7.865 138 H SER 23 H SER 23 -10.795 -4.463 8.901 139 HA SER 23 HA SER 23 -12.793 -5.762 7.323 140 HB2 SER 23 1HB SER 23 -14.309 -5.220 9.184 141 HB3 SER 23 2HB SER 23 -12.798 -5.909 9.777 142 HG SER 23 HG SER 23 -13.442 -3.144 9.678 143 H GLN 24 H GLN 24 -11.685 -2.536 7.626 144 HA GLN 24 HA GLN 24 -13.883 -1.632 5.903 145 HB2 GLN 24 1HB GLN 24 -12.921 -0.394 8.454 146 HB3 GLN 24 2HB GLN 24 -13.557 0.635 7.177 147 HG2 GLN 24 1HG GLN 24 -15.094 -1.715 8.226 148 HG3 GLN 24 2HG GLN 24 -15.164 -0.131 8.996 149 HE21 GLN 24 1HE2 GLN 24 -15.388 1.663 7.166 150 HE22 GLN 24 2HE2 GLN 24 -16.718 1.388 6.097 151 H THR 25 H THR 25 -13.297 -0.327 4.241 152 HA THR 25 HA THR 25 -10.709 -0.323 3.278 153 HB THR 25 HB THR 25 -11.397 1.430 1.714 154 HG1 THR 25 HG1 THR 25 -12.852 2.825 2.330 155 HG21 THR 25 3HG2 THR 25 -13.442 -0.705 2.298 156 HG22 THR 25 1HG2 THR 25 -12.134 -0.748 1.116 157 HG23 THR 25 2HG2 THR 25 -13.512 0.326 0.868 158 H THR 26 H THR 26 -12.394 2.343 4.937 159 HA THR 26 HA THR 26 -10.409 4.244 4.919 160 HB THR 26 HB THR 26 -11.370 5.027 7.130 161 HG1 THR 26 HG1 THR 26 -12.573 3.658 8.190 162 HG21 THR 26 3HG2 THR 26 -12.325 5.275 4.604 163 HG22 THR 26 1HG2 THR 26 -13.017 6.088 6.007 164 HG23 THR 26 2HG2 THR 26 -13.725 4.582 5.421 165 H HIS 27 H HIS 27 -10.845 1.596 7.241 166 HA HIS 27 HA HIS 27 -8.739 2.263 8.964 167 HB2 HIS 27 1HB HIS 27 -10.626 0.474 9.192 168 HB3 HIS 27 2HB HIS 27 -9.468 -0.594 8.404 169 HD1 HIS 27 HD1 HIS 27 -10.441 -1.015 11.336 170 HD2 HIS 27 HD2 HIS 27 -6.928 0.915 10.242 171 HE1 HIS 27 HE1 HIS 27 -8.928 -1.187 13.337 172 H LEU 28 H LEU 28 -8.778 0.622 5.884 173 HA LEU 28 HA LEU 28 -6.101 -0.388 6.085 174 HB2 LEU 28 1HB LEU 28 -7.486 -1.613 4.662 175 HB3 LEU 28 2HB LEU 28 -8.115 -0.165 3.879 176 HG LEU 28 HG LEU 28 -5.974 0.144 2.732 177 HD11 LEU 28 1HD1 LEU 28 -4.199 -1.427 2.876 178 HD12 LEU 28 2HD1 LEU 28 -5.155 -2.514 3.883 179 HD13 LEU 28 3HD1 LEU 28 -4.614 -0.963 4.526 180 HD21 LEU 28 3HD2 LEU 28 -6.134 -1.789 1.231 181 HD22 LEU 28 1HD2 LEU 28 -7.723 -1.138 1.634 182 HD23 LEU 28 2HD2 LEU 28 -7.152 -2.615 2.411 183 H ILE 29 H ILE 29 -7.611 2.529 4.917 184 HA ILE 29 HA ILE 29 -5.341 3.469 3.448 185 HB ILE 29 HB ILE 29 -7.696 5.031 4.515 186 HG12 ILE 29 1HG1 ILE 29 -7.259 3.939 1.731 187 HG13 ILE 29 2HG1 ILE 29 -8.242 3.135 2.949 188 HG21 ILE 29 1HG2 ILE 29 -5.843 6.487 4.000 189 HG22 ILE 29 2HG2 ILE 29 -5.632 5.716 2.429 190 HG23 ILE 29 3HG2 ILE 29 -7.084 6.660 2.760 191 HD11 ILE 29 3HD1 ILE 29 -9.534 4.468 1.310 192 HD12 ILE 29 1HD1 ILE 29 -9.791 4.952 2.986 193 HD13 ILE 29 2HD1 ILE 29 -8.753 5.919 1.938 194 H GLN 30 H GLN 30 -6.665 4.082 6.675 195 HA GLN 30 HA GLN 30 -4.984 6.136 7.477 196 HB2 GLN 30 1HB GLN 30 -5.358 5.205 9.813 197 HB3 GLN 30 2HB GLN 30 -6.801 5.602 8.888 198 HG2 GLN 30 1HG GLN 30 -7.105 3.254 8.327 199 HG3 GLN 30 2HG GLN 30 -5.642 2.844 9.222 200 HE21 GLN 30 1HE2 GLN 30 -5.782 2.476 11.344 201 HE22 GLN 30 2HE2 GLN 30 -7.207 2.692 12.297 202 H HIS 31 H HIS 31 -4.487 2.630 7.731 203 HA HIS 31 HA HIS 31 -2.036 2.685 9.069 204 HB2 HIS 31 1HB HIS 31 -3.054 0.583 8.961 205 HB3 HIS 31 2HB HIS 31 -3.338 0.702 7.227 206 HD1 HIS 31 HD1 HIS 31 -0.761 -0.271 9.734 207 HD2 HIS 31 HD2 HIS 31 -1.149 -0.008 5.606 208 HE1 HIS 31 HE1 HIS 31 1.214 -1.510 8.793 209 H GLN 32 H GLN 32 -2.711 2.585 5.578 210 HA GLN 32 HA GLN 32 -0.258 2.378 4.478 211 HB2 GLN 32 1HB GLN 32 -2.447 4.303 3.687 212 HB3 GLN 32 2HB GLN 32 -1.041 3.958 2.687 213 HG2 GLN 32 1HG GLN 32 -2.907 1.807 3.633 214 HG3 GLN 32 2HG GLN 32 -3.176 2.712 2.144 215 HE21 GLN 32 1HE2 GLN 32 -2.994 0.185 1.704 216 HE22 GLN 32 2HE2 GLN 32 -1.448 -0.295 1.101 217 H ARG 33 H ARG 33 -1.393 5.006 6.417 218 HA ARG 33 HA ARG 33 0.262 7.087 5.669 219 HB2 ARG 33 1HB ARG 33 -0.745 6.277 8.395 220 HB3 ARG 33 2HB ARG 33 0.130 7.774 8.108 221 HG2 ARG 33 1HG ARG 33 -2.353 7.083 6.577 222 HG3 ARG 33 2HG ARG 33 -2.414 7.875 8.153 223 HD2 ARG 33 1HD ARG 33 -0.777 8.939 5.866 224 HD3 ARG 33 2HD ARG 33 -2.467 9.383 6.108 225 HE ARG 33 HE ARG 33 -0.783 9.778 8.416 226 HH11 ARG 33 1HH1 ARG 33 -2.058 11.176 5.493 227 HH12 ARG 33 2HH1 ARG 33 -1.842 12.811 6.026 228 HH21 ARG 33 1HH2 ARG 33 -0.494 11.926 9.129 229 HH22 ARG 33 2HH2 ARG 33 -0.951 13.236 8.094 230 H VAL 34 H VAL 34 0.950 4.440 7.934 231 HA VAL 34 HA VAL 34 3.490 5.249 8.749 232 HB VAL 34 HB VAL 34 3.904 2.942 9.375 233 HG11 VAL 34 1HG1 VAL 34 1.436 2.552 10.387 234 HG12 VAL 34 2HG1 VAL 34 2.597 3.705 11.048 235 HG13 VAL 34 3HG1 VAL 34 1.331 4.257 9.949 236 HG21 VAL 34 3HG2 VAL 34 3.232 1.348 7.966 237 HG22 VAL 34 1HG2 VAL 34 1.629 1.527 8.680 238 HG23 VAL 34 2HG2 VAL 34 2.045 2.411 7.212 239 H HIS 35 H HIS 35 2.431 3.748 5.793 240 HA HIS 35 HA HIS 35 5.062 2.966 4.937 241 HB2 HIS 35 1HB HIS 35 2.367 3.063 3.599 242 HB3 HIS 35 2HB HIS 35 3.829 2.691 2.690 243 HD1 HIS 35 HD1 HIS 35 5.294 0.724 4.307 244 HD2 HIS 35 HD2 HIS 35 1.143 0.729 4.149 245 HE1 HIS 35 HE1 HIS 35 4.593 -1.601 4.962 246 H THR 36 H THR 36 3.060 5.787 4.683 247 HA THR 36 HA THR 36 5.077 7.037 2.933 248 HB THR 36 HB THR 36 2.940 6.893 1.780 249 HG1 THR 36 HG1 THR 36 3.205 9.585 2.635 250 HG21 THR 36 3HG2 THR 36 1.842 7.321 4.311 251 HG22 THR 36 1HG2 THR 36 0.968 7.174 2.787 252 HG23 THR 36 2HG2 THR 36 1.436 8.766 3.386 253 H GLY 37 H GLY 37 6.274 7.568 4.877 254 HA2 GLY 37 1HA GLY 37 5.061 9.814 6.369 255 HA3 GLY 37 2HA GLY 37 6.205 8.685 7.079 256 H GLU 38 H GLU 38 7.942 8.622 4.749 257 HA GLU 38 HA GLU 38 9.049 11.349 4.883 258 HB2 GLU 38 1HB GLU 38 10.702 8.834 4.682 259 HB3 GLU 38 2HB GLU 38 11.266 10.469 4.995 260 HG2 GLU 38 1HG GLU 38 9.343 9.267 6.907 261 HG3 GLU 38 2HG GLU 38 11.008 8.688 6.920 262 H LYS 39 H LYS 39 7.395 9.657 2.888 263 HA LYS 39 HA LYS 39 9.015 9.289 0.592 264 HB2 LYS 39 1HB LYS 39 6.051 9.492 1.044 265 HB3 LYS 39 2HB LYS 39 6.709 9.388 -0.583 266 HG2 LYS 39 1HG LYS 39 7.321 7.373 1.560 267 HG3 LYS 39 2HG LYS 39 5.960 7.220 0.446 268 HD2 LYS 39 1HD LYS 39 7.492 7.251 -1.450 269 HD3 LYS 39 2HD LYS 39 8.861 7.455 -0.355 270 HE2 LYS 39 1HE LYS 39 6.982 5.107 -0.230 271 HE3 LYS 39 2HE LYS 39 8.460 5.109 -1.192 272 HZ1 LYS 39 3HZ LYS 39 9.520 5.821 1.061 273 HZ2 LYS 39 1HZ LYS 39 9.189 4.191 0.755 274 HZ3 LYS 39 2HZ LYS 39 8.143 5.098 1.726 275 HA PRO 40 HA PRO 40 9.382 13.330 -1.081 276 HB2 PRO 40 1HB PRO 40 9.266 12.820 -3.745 277 HB3 PRO 40 2HB PRO 40 10.663 12.400 -2.746 278 HG2 PRO 40 1HG PRO 40 8.414 10.662 -3.686 279 HG3 PRO 40 2HG PRO 40 10.151 10.310 -3.628 280 HD2 PRO 40 1HD PRO 40 8.417 9.404 -1.755 281 HD3 PRO 40 2HD PRO 40 10.103 9.814 -1.377 282 H SER 41 H SER 41 6.526 11.692 -1.098 283 HA SER 41 HA SER 41 4.782 12.604 -2.893 284 HB2 SER 41 1HB SER 41 4.403 11.433 -0.560 285 HB3 SER 41 2HB SER 41 4.000 13.069 -0.042 286 HG SER 41 HG SER 41 2.836 11.841 -2.312 287 H GLY 42 H GLY 42 4.130 14.477 -3.732 288 HA2 GLY 42 1HA GLY 42 5.260 16.943 -2.822 289 HA3 GLY 42 2HA GLY 42 4.114 16.747 -4.139 290 HA PRO 43 HA PRO 43 2.134 18.716 -0.317 291 HB2 PRO 43 1HB PRO 43 1.730 21.185 -1.372 292 HB3 PRO 43 2HB PRO 43 3.200 20.744 -0.495 293 HG2 PRO 43 1HG PRO 43 2.725 20.883 -3.447 294 HG3 PRO 43 2HG PRO 43 4.124 21.440 -2.512 295 HD2 PRO 43 1HD PRO 43 4.123 19.103 -3.879 296 HD3 PRO 43 2HD PRO 43 5.030 19.325 -2.369 297 H SER 44 H SER 44 1.434 17.794 -3.405 298 HA SER 44 HA SER 44 -0.824 18.849 -4.344 299 HB2 SER 44 1HB SER 44 0.222 16.758 -5.199 300 HB3 SER 44 2HB SER 44 -0.530 15.873 -3.871 301 HG SER 44 HG SER 44 -1.923 17.362 -5.848 302 H SER 45 H SER 45 -0.976 16.305 -1.845 303 HA SER 45 HA SER 45 -3.687 17.098 -1.178 304 HB2 SER 45 1HB SER 45 -3.310 14.736 -1.244 305 HB3 SER 45 2HB SER 45 -1.897 14.869 -0.196 306 HG SER 45 HG SER 45 -4.379 15.777 0.739 307 H GLY 46 H GLY 46 -0.796 16.444 0.815 308 HA2 GLY 46 1HA GLY 46 0.102 17.648 2.569 309 HA3 GLY 46 2HA GLY 46 -0.986 18.967 2.162 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -15.949 -23.364 -13.690 2 HA2 GLY 1 1HA GLY 1 -18.566 -22.826 -12.855 3 HA3 GLY 1 2HA GLY 1 -17.962 -24.162 -11.887 4 H SER 2 H SER 2 -18.290 -20.889 -11.988 5 HA SER 2 HA SER 2 -15.809 -20.110 -10.777 6 HB2 SER 2 1HB SER 2 -16.830 -17.924 -10.529 7 HB3 SER 2 2HB SER 2 -17.219 -18.557 -12.128 8 HG SER 2 HG SER 2 -19.184 -19.391 -10.800 9 H SER 3 H SER 3 -15.827 -18.951 -8.625 10 HA SER 3 HA SER 3 -17.697 -20.112 -6.699 11 HB2 SER 3 1HB SER 3 -15.751 -20.666 -5.186 12 HB3 SER 3 2HB SER 3 -15.892 -21.688 -6.616 13 HG SER 3 HG SER 3 -14.325 -20.221 -7.596 14 H GLY 4 H GLY 4 -18.131 -18.819 -4.963 15 HA2 GLY 4 1HA GLY 4 -16.590 -16.308 -4.763 16 HA3 GLY 4 2HA GLY 4 -18.346 -16.314 -4.724 17 H SER 5 H SER 5 -15.460 -16.715 -2.924 18 HA SER 5 HA SER 5 -16.701 -17.931 -0.628 19 HB2 SER 5 1HB SER 5 -13.971 -16.792 -1.185 20 HB3 SER 5 2HB SER 5 -14.448 -17.253 0.449 21 HG SER 5 HG SER 5 -14.230 -18.890 -1.847 22 H SER 6 H SER 6 -18.365 -16.587 0.016 23 HA SER 6 HA SER 6 -17.607 -13.881 0.890 24 HB2 SER 6 1HB SER 6 -19.543 -14.290 -0.789 25 HB3 SER 6 2HB SER 6 -20.447 -14.836 0.623 26 HG SER 6 HG SER 6 -20.039 -12.792 1.571 27 H GLY 7 H GLY 7 -16.921 -14.059 2.951 28 HA2 GLY 7 1HA GLY 7 -17.987 -13.930 5.214 29 HA3 GLY 7 2HA GLY 7 -18.683 -15.500 4.837 30 H THR 8 H THR 8 -16.414 -14.110 6.652 31 HA THR 8 HA THR 8 -14.488 -14.776 7.674 32 HB THR 8 HB THR 8 -15.137 -17.625 7.010 33 HG1 THR 8 HG1 THR 8 -16.639 -17.475 8.850 34 HG21 THR 8 3HG2 THR 8 -13.235 -17.390 8.386 35 HG22 THR 8 1HG2 THR 8 -14.547 -17.820 9.483 36 HG23 THR 8 2HG2 THR 8 -14.002 -16.146 9.372 37 H GLY 9 H GLY 9 -14.057 -14.005 5.066 38 HA2 GLY 9 1HA GLY 9 -11.852 -15.808 4.311 39 HA3 GLY 9 2HA GLY 9 -12.969 -15.223 3.087 40 H GLU 10 H GLU 10 -10.701 -14.559 2.295 41 HA GLU 10 HA GLU 10 -9.245 -12.496 3.441 42 HB2 GLU 10 1HB GLU 10 -8.461 -12.006 1.130 43 HB3 GLU 10 2HB GLU 10 -8.374 -13.710 1.554 44 HG2 GLU 10 1HG GLU 10 -10.815 -12.738 0.175 45 HG3 GLU 10 2HG GLU 10 -9.330 -12.891 -0.762 46 H LYS 11 H LYS 11 -9.436 -10.328 3.553 47 HA LYS 11 HA LYS 11 -12.000 -9.166 2.949 48 HB2 LYS 11 1HB LYS 11 -9.498 -8.201 4.292 49 HB3 LYS 11 2HB LYS 11 -10.742 -7.051 3.820 50 HG2 LYS 11 1HG LYS 11 -11.309 -7.509 6.000 51 HG3 LYS 11 2HG LYS 11 -12.339 -8.634 5.112 52 HD2 LYS 11 1HD LYS 11 -10.394 -10.303 5.420 53 HD3 LYS 11 2HD LYS 11 -9.838 -9.189 6.672 54 HE2 LYS 11 1HE LYS 11 -12.340 -9.383 7.475 55 HE3 LYS 11 2HE LYS 11 -12.271 -10.906 6.590 56 HZ1 LYS 11 3HZ LYS 11 -11.232 -10.297 9.141 57 HZ2 LYS 11 1HZ LYS 11 -9.966 -10.769 8.122 58 HZ3 LYS 11 2HZ LYS 11 -11.294 -11.791 8.351 59 HA PRO 12 HA PRO 12 -11.073 -7.441 -0.987 60 HB2 PRO 12 1HB PRO 12 -12.735 -5.295 -0.961 61 HB3 PRO 12 2HB PRO 12 -13.313 -6.955 -1.146 62 HG2 PRO 12 1HG PRO 12 -13.247 -5.235 1.303 63 HG3 PRO 12 2HG PRO 12 -14.535 -6.307 0.723 64 HD2 PRO 12 1HD PRO 12 -12.823 -7.021 2.695 65 HD3 PRO 12 2HD PRO 12 -13.510 -8.196 1.555 66 H TYR 13 H TYR 13 -10.323 -5.892 1.923 67 HA TYR 13 HA TYR 13 -8.752 -3.856 0.486 68 HB2 TYR 13 1HB TYR 13 -9.742 -3.464 3.298 69 HB3 TYR 13 2HB TYR 13 -9.170 -2.254 2.155 70 HD1 TYR 13 HD2 TYR 13 -10.657 -2.410 -0.176 71 HD2 TYR 13 HD1 TYR 13 -11.987 -3.311 3.764 72 HE1 TYR 13 HE2 TYR 13 -12.975 -1.954 -0.860 73 HE2 TYR 13 HE1 TYR 13 -14.309 -2.858 3.091 74 HH TYR 13 HH TYR 13 -15.680 -2.630 1.247 75 H GLU 14 H GLU 14 -6.711 -4.545 0.522 76 HA GLU 14 HA GLU 14 -5.543 -5.260 3.115 77 HB2 GLU 14 1HB GLU 14 -6.069 -7.334 1.798 78 HB3 GLU 14 2HB GLU 14 -4.945 -6.770 0.569 79 HG2 GLU 14 1HG GLU 14 -3.199 -6.705 2.408 80 HG3 GLU 14 2HG GLU 14 -4.351 -7.613 3.385 81 H CYS 15 H CYS 15 -3.504 -4.506 3.458 82 HA CYS 15 HA CYS 15 -2.572 -2.383 1.833 83 HB2 CYS 15 1HB CYS 15 -2.185 -2.510 4.273 84 HB3 CYS 15 2HB CYS 15 -1.107 -3.879 4.018 85 H LYS 16 H LYS 16 -1.388 -2.446 0.050 86 HA LYS 16 HA LYS 16 -0.137 -4.951 -0.753 87 HB2 LYS 16 1HB LYS 16 -1.594 -3.285 -2.208 88 HB3 LYS 16 2HB LYS 16 -0.041 -2.493 -2.443 89 HG2 LYS 16 1HG LYS 16 0.891 -4.433 -3.448 90 HG3 LYS 16 2HG LYS 16 -0.505 -5.413 -2.993 91 HD2 LYS 16 1HD LYS 16 -0.746 -4.902 -5.300 92 HD3 LYS 16 2HD LYS 16 -1.903 -3.890 -4.432 93 HE2 LYS 16 1HE LYS 16 -0.911 -2.451 -5.991 94 HE3 LYS 16 2HE LYS 16 -0.094 -2.090 -4.471 95 HZ1 LYS 16 3HZ LYS 16 1.110 -4.123 -6.185 96 HZ2 LYS 16 1HZ LYS 16 1.848 -2.962 -5.200 97 HZ3 LYS 16 2HZ LYS 16 1.220 -2.517 -6.706 98 H GLU 17 H GLU 17 1.028 -3.414 1.418 99 HA GLU 17 HA GLU 17 3.654 -2.857 0.207 100 HB2 GLU 17 1HB GLU 17 2.673 -1.460 2.684 101 HB3 GLU 17 2HB GLU 17 4.022 -1.024 1.643 102 HG2 GLU 17 1HG GLU 17 1.299 -1.038 0.466 103 HG3 GLU 17 2HG GLU 17 1.726 0.268 1.570 104 H CYS 18 H CYS 18 1.864 -3.991 3.021 105 HA CYS 18 HA CYS 18 4.276 -5.453 3.874 106 HB2 CYS 18 1HB CYS 18 3.620 -5.176 6.187 107 HB3 CYS 18 2HB CYS 18 3.712 -3.592 5.423 108 H GLY 19 H GLY 19 0.734 -5.400 3.817 109 HA2 GLY 19 1HA GLY 19 -0.384 -7.415 2.990 110 HA3 GLY 19 2HA GLY 19 0.798 -8.353 3.891 111 H LYS 20 H LYS 20 -1.638 -5.814 4.464 112 HA LYS 20 HA LYS 20 -2.602 -7.378 6.753 113 HB2 LYS 20 1HB LYS 20 -1.046 -5.337 7.304 114 HB3 LYS 20 2HB LYS 20 -2.487 -4.392 6.953 115 HG2 LYS 20 1HG LYS 20 -3.648 -5.246 8.763 116 HG3 LYS 20 2HG LYS 20 -2.615 -6.672 8.881 117 HD2 LYS 20 1HD LYS 20 -0.744 -4.943 9.411 118 HD3 LYS 20 2HD LYS 20 -2.093 -3.871 9.794 119 HE2 LYS 20 1HE LYS 20 -1.467 -4.901 11.829 120 HE3 LYS 20 2HE LYS 20 -2.952 -5.696 11.311 121 HZ1 LYS 20 3HZ LYS 20 -1.910 -7.635 11.283 122 HZ2 LYS 20 1HZ LYS 20 -0.534 -6.891 11.927 123 HZ3 LYS 20 2HZ LYS 20 -0.706 -7.046 10.251 124 H ALA 21 H ALA 21 -4.707 -7.743 6.589 125 HA ALA 21 HA ALA 21 -6.302 -6.051 4.803 126 HB1 ALA 21 3HB ALA 21 -7.917 -8.151 5.520 127 HB2 ALA 21 1HB ALA 21 -6.925 -8.064 4.064 128 HB3 ALA 21 2HB ALA 21 -6.312 -8.881 5.502 129 H PHE 22 H PHE 22 -8.040 -4.903 5.482 130 HA PHE 22 HA PHE 22 -8.735 -5.067 8.340 131 HB2 PHE 22 1HB PHE 22 -8.509 -2.582 6.630 132 HB3 PHE 22 2HB PHE 22 -9.142 -2.613 8.273 133 HD1 PHE 22 HD1 PHE 22 -6.129 -3.048 6.209 134 HD2 PHE 22 HD2 PHE 22 -7.694 -2.729 10.154 135 HE1 PHE 22 HE1 PHE 22 -3.848 -2.761 7.086 136 HE2 PHE 22 HE2 PHE 22 -5.416 -2.440 11.038 137 HZ PHE 22 HZ PHE 22 -3.489 -2.455 9.503 138 H SER 23 H SER 23 -10.842 -5.250 8.813 139 HA SER 23 HA SER 23 -12.752 -6.067 7.069 140 HB2 SER 23 1HB SER 23 -14.446 -5.248 8.741 141 HB3 SER 23 2HB SER 23 -13.145 -6.214 9.437 142 HG SER 23 HG SER 23 -13.578 -4.302 10.642 143 H GLN 24 H GLN 24 -12.240 -2.703 8.103 144 HA GLN 24 HA GLN 24 -14.021 -1.811 5.950 145 HB2 GLN 24 1HB GLN 24 -12.981 -0.465 8.434 146 HB3 GLN 24 2HB GLN 24 -13.753 0.442 7.140 147 HG2 GLN 24 1HG GLN 24 -15.686 -1.247 7.433 148 HG3 GLN 24 2HG GLN 24 -14.935 -1.580 8.993 149 HE21 GLN 24 1HE2 GLN 24 -17.418 -0.064 7.824 150 HE22 GLN 24 2HE2 GLN 24 -17.471 1.357 8.806 151 H THR 25 H THR 25 -13.285 -0.750 4.210 152 HA THR 25 HA THR 25 -10.600 -0.795 3.481 153 HB THR 25 HB THR 25 -12.318 -0.612 1.793 154 HG1 THR 25 HG1 THR 25 -10.179 0.422 1.479 155 HG21 THR 25 3HG2 THR 25 -13.946 0.729 2.998 156 HG22 THR 25 1HG2 THR 25 -13.561 1.496 1.458 157 HG23 THR 25 2HG2 THR 25 -12.866 2.123 2.953 158 H THR 26 H THR 26 -12.501 1.754 5.001 159 HA THR 26 HA THR 26 -10.733 3.884 4.757 160 HB THR 26 HB THR 26 -12.950 4.269 5.607 161 HG1 THR 26 HG1 THR 26 -12.257 5.302 7.736 162 HG21 THR 26 3HG2 THR 26 -12.626 3.308 8.313 163 HG22 THR 26 1HG2 THR 26 -12.488 1.990 7.150 164 HG23 THR 26 2HG2 THR 26 -13.930 3.006 7.164 165 H HIS 27 H HIS 27 -10.757 1.214 7.047 166 HA HIS 27 HA HIS 27 -8.864 2.198 8.865 167 HB2 HIS 27 1HB HIS 27 -9.772 -0.555 8.094 168 HB3 HIS 27 2HB HIS 27 -8.417 -0.354 9.200 169 HD1 HIS 27 HD1 HIS 27 -9.249 -0.735 11.490 170 HD2 HIS 27 HD2 HIS 27 -11.968 1.420 9.205 171 HE1 HIS 27 HE1 HIS 27 -11.145 -0.182 13.046 172 H LEU 28 H LEU 28 -8.484 0.417 5.841 173 HA LEU 28 HA LEU 28 -5.682 0.032 6.071 174 HB2 LEU 28 1HB LEU 28 -6.761 -1.407 4.591 175 HB3 LEU 28 2HB LEU 28 -7.642 -0.094 3.811 176 HG LEU 28 HG LEU 28 -5.534 0.657 2.765 177 HD11 LEU 28 1HD1 LEU 28 -4.235 -1.912 3.510 178 HD12 LEU 28 2HD1 LEU 28 -4.199 -0.580 4.665 179 HD13 LEU 28 3HD1 LEU 28 -3.514 -0.368 3.054 180 HD21 LEU 28 3HD2 LEU 28 -6.007 -2.256 2.183 181 HD22 LEU 28 1HD2 LEU 28 -5.505 -0.983 1.070 182 HD23 LEU 28 2HD2 LEU 28 -7.146 -0.992 1.716 183 H ILE 29 H ILE 29 -7.686 2.609 4.813 184 HA ILE 29 HA ILE 29 -5.814 4.003 3.292 185 HB ILE 29 HB ILE 29 -7.995 5.223 4.987 186 HG12 ILE 29 1HG1 ILE 29 -8.746 3.380 3.443 187 HG13 ILE 29 2HG1 ILE 29 -9.472 4.950 3.120 188 HG21 ILE 29 1HG2 ILE 29 -6.556 6.938 4.223 189 HG22 ILE 29 2HG2 ILE 29 -6.433 6.220 2.618 190 HG23 ILE 29 3HG2 ILE 29 -7.950 6.949 3.144 191 HD11 ILE 29 3HD1 ILE 29 -8.256 5.249 1.172 192 HD12 ILE 29 1HD1 ILE 29 -7.039 4.058 1.631 193 HD13 ILE 29 2HD1 ILE 29 -8.651 3.531 1.146 194 H GLN 30 H GLN 30 -6.563 4.280 6.755 195 HA GLN 30 HA GLN 30 -4.632 6.307 7.253 196 HB2 GLN 30 1HB GLN 30 -5.938 4.380 9.181 197 HB3 GLN 30 2HB GLN 30 -5.050 5.830 9.628 198 HG2 GLN 30 1HG GLN 30 -7.571 5.788 7.984 199 HG3 GLN 30 2HG GLN 30 -7.488 6.125 9.712 200 HE21 GLN 30 1HE2 GLN 30 -6.185 7.981 10.368 201 HE22 GLN 30 2HE2 GLN 30 -6.114 9.358 9.327 202 H HIS 31 H HIS 31 -4.637 2.788 7.583 203 HA HIS 31 HA HIS 31 -2.191 2.477 8.887 204 HB2 HIS 31 1HB HIS 31 -3.554 0.560 8.738 205 HB3 HIS 31 2HB HIS 31 -3.725 0.713 6.992 206 HD1 HIS 31 HD1 HIS 31 -0.794 0.217 9.383 207 HD2 HIS 31 HD2 HIS 31 -2.239 -1.146 5.734 208 HE1 HIS 31 HE1 HIS 31 0.862 -1.509 8.606 209 H GLN 32 H GLN 32 -2.917 2.664 5.421 210 HA GLN 32 HA GLN 32 -0.508 2.089 4.293 211 HB2 GLN 32 1HB GLN 32 -2.541 4.184 3.565 212 HB3 GLN 32 2HB GLN 32 -1.108 3.913 2.584 213 HG2 GLN 32 1HG GLN 32 -1.955 1.406 2.712 214 HG3 GLN 32 2HG GLN 32 -3.502 2.213 2.961 215 HE21 GLN 32 1HE2 GLN 32 -2.256 0.638 0.698 216 HE22 GLN 32 2HE2 GLN 32 -2.516 1.627 -0.695 217 H ARG 33 H ARG 33 -1.345 4.919 6.147 218 HA ARG 33 HA ARG 33 0.644 6.694 5.421 219 HB2 ARG 33 1HB ARG 33 -0.646 6.171 8.096 220 HB3 ARG 33 2HB ARG 33 0.488 7.490 7.835 221 HG2 ARG 33 1HG ARG 33 -1.897 7.209 6.063 222 HG3 ARG 33 2HG ARG 33 -2.063 7.922 7.669 223 HD2 ARG 33 1HD ARG 33 0.127 8.904 5.916 224 HD3 ARG 33 2HD ARG 33 -1.523 9.390 5.532 225 HE ARG 33 HE ARG 33 0.075 10.280 7.745 226 HH11 ARG 33 1HH1 ARG 33 -3.169 9.806 6.572 227 HH12 ARG 33 2HH1 ARG 33 -3.861 11.002 7.618 228 HH21 ARG 33 1HH2 ARG 33 -0.825 11.856 9.127 229 HH22 ARG 33 2HH2 ARG 33 -2.527 12.168 9.070 230 H VAL 34 H VAL 34 0.815 3.944 7.626 231 HA VAL 34 HA VAL 34 3.334 4.401 8.727 232 HB VAL 34 HB VAL 34 3.414 2.061 9.274 233 HG11 VAL 34 1HG1 VAL 34 0.990 3.636 9.630 234 HG12 VAL 34 2HG1 VAL 34 0.717 1.901 9.792 235 HG13 VAL 34 3HG1 VAL 34 1.918 2.704 10.804 236 HG21 VAL 34 3HG2 VAL 34 2.185 1.708 6.784 237 HG22 VAL 34 1HG2 VAL 34 2.659 0.457 7.933 238 HG23 VAL 34 2HG2 VAL 34 1.025 1.119 7.975 239 H HIS 35 H HIS 35 2.494 3.682 5.522 240 HA HIS 35 HA HIS 35 5.278 2.930 4.914 241 HB2 HIS 35 1HB HIS 35 2.846 2.244 3.257 242 HB3 HIS 35 2HB HIS 35 4.494 1.672 3.014 243 HD1 HIS 35 HD1 HIS 35 5.425 0.175 5.137 244 HD2 HIS 35 HD2 HIS 35 1.311 0.535 4.685 245 HE1 HIS 35 HE1 HIS 35 4.434 -1.713 6.471 246 H THR 36 H THR 36 2.618 5.040 4.245 247 HA THR 36 HA THR 36 4.072 6.298 2.028 248 HB THR 36 HB THR 36 1.965 7.579 1.654 249 HG1 THR 36 HG1 THR 36 0.666 5.773 3.390 250 HG21 THR 36 3HG2 THR 36 1.951 4.576 1.602 251 HG22 THR 36 1HG2 THR 36 2.194 5.703 0.268 252 HG23 THR 36 2HG2 THR 36 0.592 5.513 0.981 253 H GLY 37 H GLY 37 5.652 7.417 3.196 254 HA2 GLY 37 1HA GLY 37 4.691 9.893 4.392 255 HA3 GLY 37 2HA GLY 37 5.636 8.847 5.442 256 H GLU 38 H GLU 38 7.384 7.901 3.327 257 HA GLU 38 HA GLU 38 9.536 9.539 3.567 258 HB2 GLU 38 1HB GLU 38 9.751 7.353 2.579 259 HB3 GLU 38 2HB GLU 38 8.769 7.827 1.201 260 HG2 GLU 38 1HG GLU 38 11.049 7.788 0.519 261 HG3 GLU 38 2HG GLU 38 10.523 9.469 0.585 262 H LYS 39 H LYS 39 10.448 11.253 2.468 263 HA LYS 39 HA LYS 39 10.560 13.142 1.200 264 HB2 LYS 39 1HB LYS 39 9.718 11.359 -0.570 265 HB3 LYS 39 2HB LYS 39 8.243 12.315 -0.492 266 HG2 LYS 39 1HG LYS 39 9.265 14.200 -1.369 267 HG3 LYS 39 2HG LYS 39 10.885 13.639 -0.948 268 HD2 LYS 39 1HD LYS 39 10.233 11.682 -2.615 269 HD3 LYS 39 2HD LYS 39 9.161 12.926 -3.263 270 HE2 LYS 39 1HE LYS 39 11.040 13.329 -4.504 271 HE3 LYS 39 2HE LYS 39 11.342 14.396 -3.134 272 HZ1 LYS 39 3HZ LYS 39 13.322 13.294 -3.282 273 HZ2 LYS 39 1HZ LYS 39 12.626 11.851 -3.825 274 HZ3 LYS 39 2HZ LYS 39 12.514 12.282 -2.194 275 HA PRO 40 HA PRO 40 6.649 14.475 3.494 276 HB2 PRO 40 1HB PRO 40 7.899 15.625 5.612 277 HB3 PRO 40 2HB PRO 40 7.422 13.923 5.587 278 HG2 PRO 40 1HG PRO 40 10.103 15.147 5.063 279 HG3 PRO 40 2HG PRO 40 9.698 13.700 6.005 280 HD2 PRO 40 1HD PRO 40 10.647 13.572 3.472 281 HD3 PRO 40 2HD PRO 40 9.508 12.377 4.126 282 H SER 41 H SER 41 6.320 16.005 1.866 283 HA SER 41 HA SER 41 7.391 18.649 2.465 284 HB2 SER 41 1HB SER 41 8.775 17.424 0.629 285 HB3 SER 41 2HB SER 41 7.384 17.752 -0.404 286 HG SER 41 HG SER 41 7.723 19.902 -0.197 287 H GLY 42 H GLY 42 6.179 20.383 1.421 288 HA2 GLY 42 1HA GLY 42 4.160 20.662 -0.147 289 HA3 GLY 42 2HA GLY 42 3.382 19.569 0.987 290 HA PRO 43 HA PRO 43 2.516 23.920 2.334 291 HB2 PRO 43 1HB PRO 43 -0.136 23.512 2.750 292 HB3 PRO 43 2HB PRO 43 0.531 23.962 1.176 293 HG2 PRO 43 1HG PRO 43 -0.270 21.263 2.192 294 HG3 PRO 43 2HG PRO 43 -0.565 21.994 0.604 295 HD2 PRO 43 1HD PRO 43 1.411 20.193 1.034 296 HD3 PRO 43 2HD PRO 43 1.554 21.502 -0.157 297 H SER 44 H SER 44 2.726 20.918 3.674 298 HA SER 44 HA SER 44 1.422 20.687 5.984 299 HB2 SER 44 1HB SER 44 4.382 20.354 5.511 300 HB3 SER 44 2HB SER 44 3.624 19.914 7.041 301 HG SER 44 HG SER 44 2.310 18.458 5.908 302 H SER 45 H SER 45 1.254 21.634 7.956 303 HA SER 45 HA SER 45 1.453 24.265 8.393 304 HB2 SER 45 1HB SER 45 2.096 22.153 10.466 305 HB3 SER 45 2HB SER 45 1.626 23.816 10.815 306 HG SER 45 HG SER 45 -0.182 22.485 10.936 307 H GLY 46 H GLY 46 2.929 25.750 9.273 308 HA2 GLY 46 1HA GLY 46 5.670 24.939 9.746 309 HA3 GLY 46 2HA GLY 46 5.434 25.902 8.296 Start of MODEL 12 1 H1 GLY 1 H GLY 1 4.955 -17.364 13.154 2 HA2 GLY 1 1HA GLY 1 2.537 -17.592 11.470 3 HA3 GLY 1 2HA GLY 1 2.903 -18.672 12.807 4 H SER 2 H SER 2 0.987 -18.256 13.894 5 HA SER 2 HA SER 2 -0.479 -17.159 15.252 6 HB2 SER 2 1HB SER 2 1.922 -15.472 15.987 7 HB3 SER 2 2HB SER 2 0.498 -15.789 16.978 8 HG SER 2 HG SER 2 2.492 -17.640 16.176 9 H SER 3 H SER 3 -0.707 -16.291 12.696 10 HA SER 3 HA SER 3 -1.127 -13.390 13.008 11 HB2 SER 3 1HB SER 3 -0.303 -14.933 10.542 12 HB3 SER 3 2HB SER 3 -0.852 -13.257 10.504 13 HG SER 3 HG SER 3 1.425 -13.402 10.622 14 H GLY 4 H GLY 4 -2.802 -12.598 11.318 15 HA2 GLY 4 1HA GLY 4 -5.294 -13.585 11.953 16 HA3 GLY 4 2HA GLY 4 -4.953 -12.648 10.506 17 H SER 5 H SER 5 -6.830 -14.867 10.914 18 HA SER 5 HA SER 5 -5.946 -16.498 8.657 19 HB2 SER 5 1HB SER 5 -5.468 -17.604 10.979 20 HB3 SER 5 2HB SER 5 -7.208 -17.896 10.996 21 HG SER 5 HG SER 5 -5.388 -19.341 9.808 22 H SER 6 H SER 6 -7.671 -17.563 7.547 23 HA SER 6 HA SER 6 -10.397 -16.944 8.331 24 HB2 SER 6 1HB SER 6 -9.181 -15.882 5.771 25 HB3 SER 6 2HB SER 6 -10.911 -15.906 6.114 26 HG SER 6 HG SER 6 -9.438 -13.956 6.663 27 H GLY 7 H GLY 7 -11.992 -17.957 6.836 28 HA2 GLY 7 1HA GLY 7 -10.853 -20.436 5.703 29 HA3 GLY 7 2HA GLY 7 -12.439 -20.332 6.453 30 H THR 8 H THR 8 -13.655 -18.264 5.318 31 HA THR 8 HA THR 8 -13.881 -19.110 2.528 32 HB THR 8 HB THR 8 -16.001 -17.766 2.554 33 HG1 THR 8 HG1 THR 8 -15.157 -16.544 4.515 34 HG21 THR 8 3HG2 THR 8 -15.875 -19.843 4.739 35 HG22 THR 8 1HG2 THR 8 -15.902 -20.225 3.018 36 HG23 THR 8 2HG2 THR 8 -17.274 -19.402 3.761 37 H GLY 9 H GLY 9 -12.265 -18.036 1.449 38 HA2 GLY 9 1HA GLY 9 -11.140 -16.283 0.478 39 HA3 GLY 9 2HA GLY 9 -12.708 -15.490 0.482 40 H GLU 10 H GLU 10 -10.987 -13.675 0.668 41 HA GLU 10 HA GLU 10 -10.716 -13.048 3.531 42 HB2 GLU 10 1HB GLU 10 -8.594 -11.873 3.004 43 HB3 GLU 10 2HB GLU 10 -8.508 -13.608 2.737 44 HG2 GLU 10 1HG GLU 10 -9.132 -12.957 0.283 45 HG3 GLU 10 2HG GLU 10 -8.501 -11.382 0.762 46 H LYS 11 H LYS 11 -10.166 -10.588 3.745 47 HA LYS 11 HA LYS 11 -12.392 -9.163 2.736 48 HB2 LYS 11 1HB LYS 11 -9.885 -8.227 4.138 49 HB3 LYS 11 2HB LYS 11 -11.236 -7.170 3.752 50 HG2 LYS 11 1HG LYS 11 -12.650 -8.213 5.274 51 HG3 LYS 11 2HG LYS 11 -11.647 -9.663 5.356 52 HD2 LYS 11 1HD LYS 11 -10.474 -7.065 6.223 53 HD3 LYS 11 2HD LYS 11 -11.626 -7.870 7.291 54 HE2 LYS 11 1HE LYS 11 -9.392 -9.457 6.120 55 HE3 LYS 11 2HE LYS 11 -9.045 -8.357 7.452 56 HZ1 LYS 11 3HZ LYS 11 -10.942 -10.636 7.453 57 HZ2 LYS 11 1HZ LYS 11 -10.866 -9.487 8.693 58 HZ3 LYS 11 2HZ LYS 11 -9.530 -10.473 8.370 59 HA PRO 12 HA PRO 12 -10.901 -7.746 -1.156 60 HB2 PRO 12 1HB PRO 12 -12.456 -5.538 -1.438 61 HB3 PRO 12 2HB PRO 12 -13.081 -7.182 -1.617 62 HG2 PRO 12 1HG PRO 12 -13.240 -5.341 0.738 63 HG3 PRO 12 2HG PRO 12 -14.494 -6.391 0.052 64 HD2 PRO 12 1HD PRO 12 -13.071 -7.068 2.254 65 HD3 PRO 12 2HD PRO 12 -13.664 -8.273 1.093 66 H TYR 13 H TYR 13 -10.241 -6.260 1.733 67 HA TYR 13 HA TYR 13 -8.628 -4.172 0.417 68 HB2 TYR 13 1HB TYR 13 -9.607 -4.007 3.262 69 HB3 TYR 13 2HB TYR 13 -8.958 -2.717 2.255 70 HD1 TYR 13 HD2 TYR 13 -10.392 -2.488 -0.069 71 HD2 TYR 13 HD1 TYR 13 -11.864 -3.878 3.673 72 HE1 TYR 13 HE2 TYR 13 -12.673 -1.857 -0.739 73 HE2 TYR 13 HE1 TYR 13 -14.150 -3.253 3.013 74 HH TYR 13 HH TYR 13 -15.459 -2.616 1.289 75 H GLU 14 H GLU 14 -6.522 -4.526 0.538 76 HA GLU 14 HA GLU 14 -5.339 -5.546 2.985 77 HB2 GLU 14 1HB GLU 14 -5.965 -7.491 1.380 78 HB3 GLU 14 2HB GLU 14 -4.602 -6.927 0.423 79 HG2 GLU 14 1HG GLU 14 -3.181 -7.172 2.469 80 HG3 GLU 14 2HG GLU 14 -4.556 -7.952 3.248 81 H CYS 15 H CYS 15 -3.361 -4.710 3.355 82 HA CYS 15 HA CYS 15 -2.417 -2.607 1.697 83 HB2 CYS 15 1HB CYS 15 -2.132 -2.655 4.162 84 HB3 CYS 15 2HB CYS 15 -0.998 -3.990 3.983 85 H LYS 16 H LYS 16 -1.282 -2.794 -0.106 86 HA LYS 16 HA LYS 16 0.091 -5.276 -0.725 87 HB2 LYS 16 1HB LYS 16 -0.757 -2.865 -2.256 88 HB3 LYS 16 2HB LYS 16 0.598 -3.797 -2.880 89 HG2 LYS 16 1HG LYS 16 -1.081 -5.806 -2.470 90 HG3 LYS 16 2HG LYS 16 -2.268 -4.515 -2.672 91 HD2 LYS 16 1HD LYS 16 -2.030 -5.141 -4.853 92 HD3 LYS 16 2HD LYS 16 -0.737 -3.943 -4.760 93 HE2 LYS 16 1HE LYS 16 -0.110 -6.768 -4.065 94 HE3 LYS 16 2HE LYS 16 -0.326 -6.352 -5.764 95 HZ1 LYS 16 3HZ LYS 16 1.740 -5.597 -5.768 96 HZ2 LYS 16 1HZ LYS 16 1.907 -5.891 -4.110 97 HZ3 LYS 16 2HZ LYS 16 1.309 -4.404 -4.649 98 H GLU 17 H GLU 17 1.142 -3.559 1.392 99 HA GLU 17 HA GLU 17 3.783 -2.976 0.220 100 HB2 GLU 17 1HB GLU 17 2.725 -1.578 2.663 101 HB3 GLU 17 2HB GLU 17 4.058 -1.104 1.619 102 HG2 GLU 17 1HG GLU 17 1.313 -1.241 0.479 103 HG3 GLU 17 2HG GLU 17 1.752 0.123 1.506 104 H CYS 18 H CYS 18 2.002 -4.074 3.065 105 HA CYS 18 HA CYS 18 4.421 -5.516 3.924 106 HB2 CYS 18 1HB CYS 18 3.843 -5.127 6.244 107 HB3 CYS 18 2HB CYS 18 3.947 -3.581 5.409 108 H GLY 19 H GLY 19 0.887 -5.403 3.907 109 HA2 GLY 19 1HA GLY 19 -0.253 -7.459 3.202 110 HA3 GLY 19 2HA GLY 19 0.897 -8.344 4.193 111 H LYS 20 H LYS 20 -1.629 -5.853 4.428 112 HA LYS 20 HA LYS 20 -2.572 -7.154 6.879 113 HB2 LYS 20 1HB LYS 20 -1.091 -5.091 7.320 114 HB3 LYS 20 2HB LYS 20 -2.438 -4.154 6.687 115 HG2 LYS 20 1HG LYS 20 -3.859 -4.816 8.442 116 HG3 LYS 20 2HG LYS 20 -2.759 -6.100 8.950 117 HD2 LYS 20 1HD LYS 20 -1.755 -3.299 8.953 118 HD3 LYS 20 2HD LYS 20 -2.876 -3.786 10.227 119 HE2 LYS 20 1HE LYS 20 -1.413 -5.401 11.059 120 HE3 LYS 20 2HE LYS 20 -0.469 -5.448 9.571 121 HZ1 LYS 20 3HZ LYS 20 0.003 -2.976 10.209 122 HZ2 LYS 20 1HZ LYS 20 0.894 -4.230 10.914 123 HZ3 LYS 20 2HZ LYS 20 -0.375 -3.510 11.769 124 H ALA 21 H ALA 21 -4.675 -7.561 6.764 125 HA ALA 21 HA ALA 21 -6.273 -6.153 4.748 126 HB1 ALA 21 3HB ALA 21 -7.865 -8.171 5.685 127 HB2 ALA 21 1HB ALA 21 -6.822 -8.266 4.266 128 HB3 ALA 21 2HB ALA 21 -6.251 -8.868 5.823 129 H PHE 22 H PHE 22 -8.175 -5.108 5.239 130 HA PHE 22 HA PHE 22 -8.887 -4.893 8.083 131 HB2 PHE 22 1HB PHE 22 -8.655 -2.603 6.119 132 HB3 PHE 22 2HB PHE 22 -9.310 -2.470 7.748 133 HD1 PHE 22 HD1 PHE 22 -6.283 -2.907 5.746 134 HD2 PHE 22 HD2 PHE 22 -7.866 -2.532 9.679 135 HE1 PHE 22 HE1 PHE 22 -4.018 -2.493 6.615 136 HE2 PHE 22 HE2 PHE 22 -5.605 -2.117 10.554 137 HZ PHE 22 HZ PHE 22 -3.677 -2.096 9.021 138 H SER 23 H SER 23 -11.022 -4.938 8.528 139 HA SER 23 HA SER 23 -12.846 -5.912 6.661 140 HB2 SER 23 1HB SER 23 -13.341 -4.484 9.283 141 HB3 SER 23 2HB SER 23 -14.588 -5.326 8.363 142 HG SER 23 HG SER 23 -12.791 -6.339 10.069 143 H GLN 24 H GLN 24 -12.200 -2.611 7.716 144 HA GLN 24 HA GLN 24 -14.161 -1.629 5.759 145 HB2 GLN 24 1HB GLN 24 -13.012 -0.462 8.270 146 HB3 GLN 24 2HB GLN 24 -13.676 0.596 7.032 147 HG2 GLN 24 1HG GLN 24 -15.316 -1.693 7.986 148 HG3 GLN 24 2HG GLN 24 -15.148 -0.274 9.018 149 HE21 GLN 24 1HE2 GLN 24 -16.586 1.265 8.737 150 HE22 GLN 24 2HE2 GLN 24 -17.527 1.535 7.313 151 H THR 25 H THR 25 -13.461 0.631 4.873 152 HA THR 25 HA THR 25 -10.937 0.196 3.507 153 HB THR 25 HB THR 25 -11.602 2.253 2.210 154 HG1 THR 25 HG1 THR 25 -13.116 3.394 3.156 155 HG21 THR 25 3HG2 THR 25 -13.964 0.668 1.776 156 HG22 THR 25 1HG2 THR 25 -12.574 -0.376 2.066 157 HG23 THR 25 2HG2 THR 25 -12.524 0.821 0.771 158 H THR 26 H THR 26 -12.402 2.580 5.671 159 HA THR 26 HA THR 26 -10.318 4.454 5.661 160 HB THR 26 HB THR 26 -12.322 5.202 6.623 161 HG1 THR 26 HG1 THR 26 -11.633 5.380 9.002 162 HG21 THR 26 3HG2 THR 26 -12.202 2.717 8.320 163 HG22 THR 26 1HG2 THR 26 -13.442 3.182 7.156 164 HG23 THR 26 2HG2 THR 26 -13.284 4.063 8.676 165 H HIS 27 H HIS 27 -10.713 1.437 7.378 166 HA HIS 27 HA HIS 27 -8.644 1.866 9.286 167 HB2 HIS 27 1HB HIS 27 -10.252 -0.472 8.366 168 HB3 HIS 27 2HB HIS 27 -8.766 -0.788 9.257 169 HD1 HIS 27 HD1 HIS 27 -11.869 1.378 9.706 170 HD2 HIS 27 HD2 HIS 27 -9.170 -0.871 11.923 171 HE1 HIS 27 HE1 HIS 27 -12.701 1.475 12.077 172 H LEU 28 H LEU 28 -8.719 0.808 5.987 173 HA LEU 28 HA LEU 28 -6.038 -0.290 6.065 174 HB2 LEU 28 1HB LEU 28 -7.472 -1.421 4.597 175 HB3 LEU 28 2HB LEU 28 -8.098 0.080 3.917 176 HG LEU 28 HG LEU 28 -5.999 0.448 2.744 177 HD11 LEU 28 1HD1 LEU 28 -4.191 -1.104 2.794 178 HD12 LEU 28 2HD1 LEU 28 -5.104 -2.225 3.803 179 HD13 LEU 28 3HD1 LEU 28 -4.574 -0.678 4.462 180 HD21 LEU 28 3HD2 LEU 28 -6.321 -1.123 1.058 181 HD22 LEU 28 1HD2 LEU 28 -7.886 -1.070 1.870 182 HD23 LEU 28 2HD2 LEU 28 -6.770 -2.396 2.194 183 H ILE 29 H ILE 29 -7.678 2.505 4.609 184 HA ILE 29 HA ILE 29 -5.451 3.636 3.353 185 HB ILE 29 HB ILE 29 -7.855 5.040 4.523 186 HG12 ILE 29 1HG1 ILE 29 -7.342 4.277 1.648 187 HG13 ILE 29 2HG1 ILE 29 -8.232 3.244 2.762 188 HG21 ILE 29 1HG2 ILE 29 -5.991 6.048 2.386 189 HG22 ILE 29 2HG2 ILE 29 -7.303 6.921 3.176 190 HG23 ILE 29 3HG2 ILE 29 -5.856 6.490 4.088 191 HD11 ILE 29 3HD1 ILE 29 -9.374 5.057 1.143 192 HD12 ILE 29 1HD1 ILE 29 -10.075 4.518 2.668 193 HD13 ILE 29 2HD1 ILE 29 -9.162 6.026 2.601 194 H GLN 30 H GLN 30 -6.687 4.025 6.643 195 HA GLN 30 HA GLN 30 -4.979 6.088 7.463 196 HB2 GLN 30 1HB GLN 30 -5.799 5.733 9.577 197 HB3 GLN 30 2HB GLN 30 -7.041 4.924 8.631 198 HG2 GLN 30 1HG GLN 30 -6.037 2.777 9.073 199 HG3 GLN 30 2HG GLN 30 -4.698 3.547 9.923 200 HE21 GLN 30 1HE2 GLN 30 -5.055 2.554 11.864 201 HE22 GLN 30 2HE2 GLN 30 -6.435 2.872 12.853 202 H HIS 31 H HIS 31 -4.627 2.563 7.817 203 HA HIS 31 HA HIS 31 -2.123 2.604 9.076 204 HB2 HIS 31 1HB HIS 31 -3.137 0.536 9.222 205 HB3 HIS 31 2HB HIS 31 -3.679 0.564 7.546 206 HD1 HIS 31 HD1 HIS 31 -0.927 -0.581 9.717 207 HD2 HIS 31 HD2 HIS 31 -1.664 -0.175 5.648 208 HE1 HIS 31 HE1 HIS 31 0.857 -1.934 8.572 209 H GLN 32 H GLN 32 -3.011 2.518 5.657 210 HA GLN 32 HA GLN 32 -0.633 1.994 4.434 211 HB2 GLN 32 1HB GLN 32 -2.881 3.842 3.726 212 HB3 GLN 32 2HB GLN 32 -1.444 3.794 2.714 213 HG2 GLN 32 1HG GLN 32 -1.901 1.192 2.824 214 HG3 GLN 32 2HG GLN 32 -3.545 1.748 3.129 215 HE21 GLN 32 1HE2 GLN 32 -2.999 0.292 0.902 216 HE22 GLN 32 2HE2 GLN 32 -3.117 1.290 -0.504 217 H ARG 33 H ARG 33 -1.469 4.804 6.277 218 HA ARG 33 HA ARG 33 0.304 6.703 5.344 219 HB2 ARG 33 1HB ARG 33 -0.782 6.107 8.077 220 HB3 ARG 33 2HB ARG 33 0.395 7.395 7.854 221 HG2 ARG 33 1HG ARG 33 -1.113 8.448 6.212 222 HG3 ARG 33 2HG ARG 33 -2.303 7.186 6.535 223 HD2 ARG 33 1HD ARG 33 -2.284 7.875 8.928 224 HD3 ARG 33 2HD ARG 33 -1.230 9.218 8.486 225 HE ARG 33 HE ARG 33 -3.625 9.170 6.934 226 HH11 ARG 33 1HH1 ARG 33 -2.290 10.098 10.012 227 HH12 ARG 33 2HH1 ARG 33 -3.464 11.340 10.294 228 HH21 ARG 33 1HH2 ARG 33 -5.176 10.803 7.293 229 HH22 ARG 33 2HH2 ARG 33 -5.106 11.740 8.747 230 H VAL 34 H VAL 34 0.902 4.034 7.587 231 HA VAL 34 HA VAL 34 3.496 4.671 8.364 232 HB VAL 34 HB VAL 34 3.786 2.374 8.973 233 HG11 VAL 34 1HG1 VAL 34 2.263 2.465 10.603 234 HG12 VAL 34 2HG1 VAL 34 1.662 3.921 9.806 235 HG13 VAL 34 3HG1 VAL 34 0.920 2.358 9.466 236 HG21 VAL 34 3HG2 VAL 34 1.903 0.741 8.245 237 HG22 VAL 34 1HG2 VAL 34 1.659 1.888 6.928 238 HG23 VAL 34 2HG2 VAL 34 3.221 1.094 7.127 239 H HIS 35 H HIS 35 2.343 3.807 5.296 240 HA HIS 35 HA HIS 35 5.051 3.080 4.394 241 HB2 HIS 35 1HB HIS 35 2.408 2.548 3.020 242 HB3 HIS 35 2HB HIS 35 3.992 2.018 2.462 243 HD1 HIS 35 HD1 HIS 35 5.255 0.349 4.255 244 HD2 HIS 35 HD2 HIS 35 1.126 0.715 4.543 245 HE1 HIS 35 HE1 HIS 35 4.492 -1.654 5.570 246 H THR 36 H THR 36 3.863 5.790 4.857 247 HA THR 36 HA THR 36 4.215 6.848 2.127 248 HB THR 36 HB THR 36 2.680 8.576 2.524 249 HG1 THR 36 HG1 THR 36 1.806 8.889 4.699 250 HG21 THR 36 3HG2 THR 36 0.622 7.462 3.293 251 HG22 THR 36 1HG2 THR 36 1.590 6.131 3.924 252 HG23 THR 36 2HG2 THR 36 1.548 6.446 2.189 253 H GLY 37 H GLY 37 4.677 7.546 5.584 254 HA2 GLY 37 1HA GLY 37 6.473 9.738 5.032 255 HA3 GLY 37 2HA GLY 37 6.079 9.082 6.614 256 H GLU 38 H GLU 38 7.199 7.196 7.347 257 HA GLU 38 HA GLU 38 9.959 7.249 6.792 258 HB2 GLU 38 1HB GLU 38 8.313 5.136 8.196 259 HB3 GLU 38 2HB GLU 38 10.069 5.221 8.215 260 HG2 GLU 38 1HG GLU 38 8.376 7.499 9.172 261 HG3 GLU 38 2HG GLU 38 8.803 6.150 10.223 262 H LYS 39 H LYS 39 11.290 5.490 5.987 263 HA LYS 39 HA LYS 39 9.964 4.047 3.788 264 HB2 LYS 39 1HB LYS 39 12.766 5.125 4.064 265 HB3 LYS 39 2HB LYS 39 12.324 3.962 2.822 266 HG2 LYS 39 1HG LYS 39 10.450 5.713 2.286 267 HG3 LYS 39 2HG LYS 39 11.551 6.821 3.107 268 HD2 LYS 39 1HD LYS 39 12.231 6.996 0.900 269 HD3 LYS 39 2HD LYS 39 13.347 5.787 1.540 270 HE2 LYS 39 1HE LYS 39 12.084 4.007 0.567 271 HE3 LYS 39 2HE LYS 39 10.779 5.105 0.120 272 HZ1 LYS 39 3HZ LYS 39 11.875 5.802 -1.694 273 HZ2 LYS 39 1HZ LYS 39 12.723 4.347 -1.540 274 HZ3 LYS 39 2HZ LYS 39 13.389 5.781 -0.941 275 HA PRO 40 HA PRO 40 11.291 0.770 6.752 276 HB2 PRO 40 1HB PRO 40 9.120 -0.801 6.319 277 HB3 PRO 40 2HB PRO 40 9.129 0.524 7.488 278 HG2 PRO 40 1HG PRO 40 8.046 0.466 4.698 279 HG3 PRO 40 2HG PRO 40 7.330 1.166 6.161 280 HD2 PRO 40 1HD PRO 40 8.607 2.667 4.304 281 HD3 PRO 40 2HD PRO 40 8.618 3.073 6.032 282 H SER 41 H SER 41 11.360 -1.674 6.298 283 HA SER 41 HA SER 41 11.827 -2.179 3.437 284 HB2 SER 41 1HB SER 41 13.994 -1.788 4.527 285 HB3 SER 41 2HB SER 41 13.629 -3.039 5.715 286 HG SER 41 HG SER 41 14.058 -3.341 2.932 287 H GLY 42 H GLY 42 11.571 -4.348 2.754 288 HA2 GLY 42 1HA GLY 42 10.933 -6.500 4.448 289 HA3 GLY 42 2HA GLY 42 9.437 -5.726 3.946 290 HA PRO 43 HA PRO 43 10.875 -8.888 0.769 291 HB2 PRO 43 1HB PRO 43 8.716 -10.522 0.966 292 HB3 PRO 43 2HB PRO 43 10.160 -10.714 1.966 293 HG2 PRO 43 1HG PRO 43 7.549 -9.415 2.640 294 HG3 PRO 43 2HG PRO 43 8.544 -10.503 3.625 295 HD2 PRO 43 1HD PRO 43 8.547 -7.817 3.968 296 HD3 PRO 43 2HD PRO 43 9.984 -8.818 4.258 297 H SER 44 H SER 44 7.657 -7.569 1.474 298 HA SER 44 HA SER 44 6.387 -7.860 -0.926 299 HB2 SER 44 1HB SER 44 5.444 -6.791 1.148 300 HB3 SER 44 2HB SER 44 6.297 -5.313 0.704 301 HG SER 44 HG SER 44 3.930 -6.078 -0.110 302 H SER 45 H SER 45 6.585 -7.093 -2.938 303 HA SER 45 HA SER 45 8.698 -5.109 -3.434 304 HB2 SER 45 1HB SER 45 8.923 -6.042 -5.639 305 HB3 SER 45 2HB SER 45 8.909 -7.383 -4.494 306 HG SER 45 HG SER 45 7.323 -7.023 -6.562 307 H GLY 46 H GLY 46 5.389 -6.000 -4.345 308 HA2 GLY 46 1HA GLY 46 3.618 -4.568 -4.813 309 HA3 GLY 46 2HA GLY 46 4.725 -3.208 -4.708 Start of MODEL 13 1 H1 GLY 1 H GLY 1 14.569 -23.405 3.597 2 HA2 GLY 1 1HA GLY 1 14.353 -20.476 3.317 3 HA3 GLY 1 2HA GLY 1 13.561 -21.646 2.272 4 H SER 2 H SER 2 13.094 -19.528 4.768 5 HA SER 2 HA SER 2 10.912 -21.044 5.991 6 HB2 SER 2 1HB SER 2 10.885 -19.364 7.707 7 HB3 SER 2 2HB SER 2 12.572 -19.782 7.409 8 HG SER 2 HG SER 2 12.632 -17.906 6.012 9 H SER 3 H SER 3 8.940 -20.869 5.184 10 HA SER 3 HA SER 3 8.101 -18.289 4.043 11 HB2 SER 3 1HB SER 3 7.426 -21.018 2.918 12 HB3 SER 3 2HB SER 3 6.863 -19.470 2.289 13 HG SER 3 HG SER 3 9.018 -20.717 1.580 14 H GLY 4 H GLY 4 7.136 -17.897 6.118 15 HA2 GLY 4 1HA GLY 4 4.588 -19.355 6.445 16 HA3 GLY 4 2HA GLY 4 5.590 -18.944 7.829 17 H SER 5 H SER 5 2.809 -18.144 6.663 18 HA SER 5 HA SER 5 3.180 -15.234 6.917 19 HB2 SER 5 1HB SER 5 0.954 -16.791 5.582 20 HB3 SER 5 2HB SER 5 0.992 -15.036 5.749 21 HG SER 5 HG SER 5 2.768 -14.959 4.420 22 H SER 6 H SER 6 1.870 -14.057 8.303 23 HA SER 6 HA SER 6 0.284 -15.653 10.208 24 HB2 SER 6 1HB SER 6 2.193 -14.937 11.416 25 HB3 SER 6 2HB SER 6 2.141 -13.326 10.700 26 HG SER 6 HG SER 6 0.252 -14.428 12.511 27 H GLY 7 H GLY 7 -1.799 -15.147 10.285 28 HA2 GLY 7 1HA GLY 7 -3.629 -13.677 10.520 29 HA3 GLY 7 2HA GLY 7 -2.635 -12.375 9.882 30 H THR 8 H THR 8 -5.067 -14.594 9.198 31 HA THR 8 HA THR 8 -4.637 -14.823 6.371 32 HB THR 8 HB THR 8 -7.157 -15.356 7.957 33 HG1 THR 8 HG1 THR 8 -4.827 -16.834 7.491 34 HG21 THR 8 3HG2 THR 8 -6.436 -15.618 5.115 35 HG22 THR 8 1HG2 THR 8 -8.020 -15.466 5.873 36 HG23 THR 8 2HG2 THR 8 -7.212 -17.033 5.825 37 H GLY 9 H GLY 9 -7.225 -13.231 8.256 38 HA2 GLY 9 1HA GLY 9 -8.516 -11.391 7.790 39 HA3 GLY 9 2HA GLY 9 -7.092 -10.758 6.977 40 H GLU 10 H GLU 10 -10.094 -12.502 6.580 41 HA GLU 10 HA GLU 10 -9.775 -12.627 3.691 42 HB2 GLU 10 1HB GLU 10 -11.731 -13.723 5.662 43 HB3 GLU 10 2HB GLU 10 -12.246 -13.526 3.992 44 HG2 GLU 10 1HG GLU 10 -10.476 -14.964 3.225 45 HG3 GLU 10 2HG GLU 10 -9.819 -15.079 4.857 46 H LYS 11 H LYS 11 -9.726 -10.377 3.245 47 HA LYS 11 HA LYS 11 -12.392 -9.222 3.018 48 HB2 LYS 11 1HB LYS 11 -10.099 -7.913 4.473 49 HB3 LYS 11 2HB LYS 11 -11.439 -6.988 3.808 50 HG2 LYS 11 1HG LYS 11 -11.906 -9.266 5.696 51 HG3 LYS 11 2HG LYS 11 -11.529 -7.643 6.278 52 HD2 LYS 11 1HD LYS 11 -13.494 -6.742 5.395 53 HD3 LYS 11 2HD LYS 11 -13.734 -8.103 4.297 54 HE2 LYS 11 1HE LYS 11 -14.103 -9.545 6.310 55 HE3 LYS 11 2HE LYS 11 -14.066 -8.082 7.293 56 HZ1 LYS 11 3HZ LYS 11 -15.864 -7.410 5.444 57 HZ2 LYS 11 1HZ LYS 11 -16.266 -8.123 6.924 58 HZ3 LYS 11 2HZ LYS 11 -16.143 -9.076 5.533 59 HA PRO 12 HA PRO 12 -10.904 -7.992 -0.930 60 HB2 PRO 12 1HB PRO 12 -12.533 -5.876 -1.418 61 HB3 PRO 12 2HB PRO 12 -13.094 -7.551 -1.467 62 HG2 PRO 12 1HG PRO 12 -13.361 -5.528 0.723 63 HG3 PRO 12 2HG PRO 12 -14.563 -6.678 0.110 64 HD2 PRO 12 1HD PRO 12 -13.155 -7.115 2.381 65 HD3 PRO 12 2HD PRO 12 -13.684 -8.434 1.317 66 H TYR 13 H TYR 13 -10.319 -6.270 1.831 67 HA TYR 13 HA TYR 13 -8.785 -4.221 0.369 68 HB2 TYR 13 1HB TYR 13 -9.728 -3.864 3.202 69 HB3 TYR 13 2HB TYR 13 -9.209 -2.637 2.053 70 HD1 TYR 13 HD2 TYR 13 -10.725 -2.648 -0.194 71 HD2 TYR 13 HD1 TYR 13 -11.980 -3.938 3.661 72 HE1 TYR 13 HE2 TYR 13 -13.067 -2.245 -0.828 73 HE2 TYR 13 HE1 TYR 13 -14.326 -3.540 3.037 74 HH TYR 13 HH TYR 13 -15.227 -1.781 0.301 75 H GLU 14 H GLU 14 -6.681 -4.600 0.460 76 HA GLU 14 HA GLU 14 -5.474 -5.399 2.994 77 HB2 GLU 14 1HB GLU 14 -5.988 -7.396 1.352 78 HB3 GLU 14 2HB GLU 14 -4.546 -6.816 0.532 79 HG2 GLU 14 1HG GLU 14 -3.251 -7.097 2.567 80 HG3 GLU 14 2HG GLU 14 -4.695 -7.633 3.425 81 H CYS 15 H CYS 15 -3.164 -5.040 3.070 82 HA CYS 15 HA CYS 15 -2.378 -2.822 1.325 83 HB2 CYS 15 1HB CYS 15 -2.325 -2.529 3.812 84 HB3 CYS 15 2HB CYS 15 -1.066 -3.758 3.883 85 H LYS 16 H LYS 16 -1.359 -3.506 -0.451 86 HA LYS 16 HA LYS 16 0.084 -5.908 -0.688 87 HB2 LYS 16 1HB LYS 16 -0.905 -4.230 -2.486 88 HB3 LYS 16 2HB LYS 16 0.732 -3.588 -2.451 89 HG2 LYS 16 1HG LYS 16 0.395 -6.520 -2.758 90 HG3 LYS 16 2HG LYS 16 0.011 -5.485 -4.135 91 HD2 LYS 16 1HD LYS 16 2.249 -4.473 -3.972 92 HD3 LYS 16 2HD LYS 16 2.626 -5.552 -2.628 93 HE2 LYS 16 1HE LYS 16 3.575 -6.500 -4.598 94 HE3 LYS 16 2HE LYS 16 2.176 -7.479 -4.160 95 HZ1 LYS 16 3HZ LYS 16 2.546 -6.697 -6.607 96 HZ2 LYS 16 1HZ LYS 16 1.810 -5.275 -6.060 97 HZ3 LYS 16 2HZ LYS 16 0.988 -6.749 -5.950 98 H GLU 17 H GLU 17 0.985 -2.764 0.451 99 HA GLU 17 HA GLU 17 3.738 -2.792 0.061 100 HB2 GLU 17 1HB GLU 17 2.392 -1.708 2.532 101 HB3 GLU 17 2HB GLU 17 3.882 -1.150 1.785 102 HG2 GLU 17 1HG GLU 17 2.343 -0.665 -0.261 103 HG3 GLU 17 2HG GLU 17 1.060 -0.699 0.947 104 H CYS 18 H CYS 18 1.989 -3.783 3.011 105 HA CYS 18 HA CYS 18 4.308 -5.457 3.711 106 HB2 CYS 18 1HB CYS 18 3.393 -5.354 6.045 107 HB3 CYS 18 2HB CYS 18 3.918 -3.800 5.403 108 H GLY 19 H GLY 19 0.779 -5.376 3.526 109 HA2 GLY 19 1HA GLY 19 -0.366 -7.325 2.642 110 HA3 GLY 19 2HA GLY 19 0.817 -8.326 3.470 111 H LYS 20 H LYS 20 -1.553 -5.780 4.264 112 HA LYS 20 HA LYS 20 -2.487 -7.481 6.474 113 HB2 LYS 20 1HB LYS 20 -0.984 -5.477 7.134 114 HB3 LYS 20 2HB LYS 20 -2.381 -4.488 6.726 115 HG2 LYS 20 1HG LYS 20 -3.627 -5.276 8.491 116 HG3 LYS 20 2HG LYS 20 -2.708 -6.780 8.606 117 HD2 LYS 20 1HD LYS 20 -0.792 -5.547 9.487 118 HD3 LYS 20 2HD LYS 20 -1.694 -4.035 9.351 119 HE2 LYS 20 1HE LYS 20 -2.596 -6.379 11.016 120 HE3 LYS 20 2HE LYS 20 -1.634 -5.045 11.650 121 HZ1 LYS 20 3HZ LYS 20 -4.361 -5.145 11.497 122 HZ2 LYS 20 1HZ LYS 20 -3.925 -4.124 10.220 123 HZ3 LYS 20 2HZ LYS 20 -3.427 -3.767 11.796 124 H ALA 21 H ALA 21 -4.620 -7.792 6.497 125 HA ALA 21 HA ALA 21 -6.267 -6.212 4.659 126 HB1 ALA 21 3HB ALA 21 -7.176 -8.162 4.125 127 HB2 ALA 21 1HB ALA 21 -6.154 -8.971 5.313 128 HB3 ALA 21 2HB ALA 21 -7.740 -8.359 5.784 129 H PHE 22 H PHE 22 -8.026 -5.055 5.309 130 HA PHE 22 HA PHE 22 -8.566 -4.964 8.203 131 HB2 PHE 22 1HB PHE 22 -8.561 -2.637 6.269 132 HB3 PHE 22 2HB PHE 22 -9.005 -2.548 7.970 133 HD1 PHE 22 HD1 PHE 22 -6.207 -3.264 5.660 134 HD2 PHE 22 HD2 PHE 22 -7.375 -2.286 9.634 135 HE1 PHE 22 HE1 PHE 22 -3.853 -2.848 6.246 136 HE2 PHE 22 HE2 PHE 22 -5.024 -1.868 10.227 137 HZ PHE 22 HZ PHE 22 -3.260 -2.148 8.531 138 H SER 23 H SER 23 -10.662 -4.989 8.835 139 HA SER 23 HA SER 23 -12.632 -5.973 7.123 140 HB2 SER 23 1HB SER 23 -12.658 -4.780 9.868 141 HB3 SER 23 2HB SER 23 -14.192 -5.068 9.048 142 HG SER 23 HG SER 23 -13.043 -6.812 10.420 143 H GLN 24 H GLN 24 -12.009 -2.670 8.233 144 HA GLN 24 HA GLN 24 -14.146 -1.675 6.499 145 HB2 GLN 24 1HB GLN 24 -12.616 -0.543 8.803 146 HB3 GLN 24 2HB GLN 24 -13.338 0.561 7.639 147 HG2 GLN 24 1HG GLN 24 -15.481 -0.878 8.064 148 HG3 GLN 24 2HG GLN 24 -14.649 -1.293 9.561 149 HE21 GLN 24 1HE2 GLN 24 -16.872 -0.111 10.036 150 HE22 GLN 24 2HE2 GLN 24 -16.696 1.564 10.420 151 H THR 25 H THR 25 -13.639 0.389 5.292 152 HA THR 25 HA THR 25 -11.268 -0.070 3.686 153 HB THR 25 HB THR 25 -12.180 1.786 2.269 154 HG1 THR 25 HG1 THR 25 -14.458 2.294 2.806 155 HG21 THR 25 3HG2 THR 25 -14.520 0.069 2.427 156 HG22 THR 25 1HG2 THR 25 -13.015 -0.846 2.485 157 HG23 THR 25 2HG2 THR 25 -13.334 0.241 1.134 158 H THR 26 H THR 26 -12.654 2.585 5.602 159 HA THR 26 HA THR 26 -10.633 4.459 5.213 160 HB THR 26 HB THR 26 -12.693 5.132 6.257 161 HG1 THR 26 HG1 THR 26 -10.557 6.086 6.938 162 HG21 THR 26 3HG2 THR 26 -11.899 3.300 8.522 163 HG22 THR 26 1HG2 THR 26 -13.271 3.096 7.433 164 HG23 THR 26 2HG2 THR 26 -13.243 4.441 8.573 165 H HIS 27 H HIS 27 -10.680 1.593 7.147 166 HA HIS 27 HA HIS 27 -8.605 2.284 8.954 167 HB2 HIS 27 1HB HIS 27 -10.343 0.311 8.997 168 HB3 HIS 27 2HB HIS 27 -9.086 -0.549 8.112 169 HD1 HIS 27 HD1 HIS 27 -10.019 -1.300 11.014 170 HD2 HIS 27 HD2 HIS 27 -6.672 0.971 10.067 171 HE1 HIS 27 HE1 HIS 27 -8.475 -1.524 12.986 172 H LEU 28 H LEU 28 -8.652 0.655 5.816 173 HA LEU 28 HA LEU 28 -5.904 -0.020 5.774 174 HB2 LEU 28 1HB LEU 28 -7.418 -1.162 4.325 175 HB3 LEU 28 2HB LEU 28 -7.929 0.350 3.577 176 HG LEU 28 HG LEU 28 -5.620 0.574 2.642 177 HD11 LEU 28 1HD1 LEU 28 -4.170 -1.354 2.610 178 HD12 LEU 28 2HD1 LEU 28 -5.329 -2.283 3.560 179 HD13 LEU 28 3HD1 LEU 28 -4.508 -0.898 4.280 180 HD21 LEU 28 3HD2 LEU 28 -6.576 -0.260 0.823 181 HD22 LEU 28 1HD2 LEU 28 -7.764 -1.095 1.824 182 HD23 LEU 28 2HD2 LEU 28 -6.253 -1.897 1.395 183 H ILE 29 H ILE 29 -7.704 2.656 4.263 184 HA ILE 29 HA ILE 29 -5.602 3.948 3.017 185 HB ILE 29 HB ILE 29 -7.984 5.233 4.358 186 HG12 ILE 29 1HG1 ILE 29 -7.665 4.584 1.433 187 HG13 ILE 29 2HG1 ILE 29 -8.356 3.429 2.567 188 HG21 ILE 29 1HG2 ILE 29 -7.586 7.154 3.022 189 HG22 ILE 29 2HG2 ILE 29 -6.057 6.751 3.803 190 HG23 ILE 29 3HG2 ILE 29 -6.318 6.337 2.109 191 HD11 ILE 29 3HD1 ILE 29 -10.296 4.550 2.728 192 HD12 ILE 29 1HD1 ILE 29 -9.520 6.130 2.619 193 HD13 ILE 29 2HD1 ILE 29 -9.805 5.184 1.157 194 H GLN 30 H GLN 30 -6.740 4.304 6.358 195 HA GLN 30 HA GLN 30 -4.893 6.328 7.073 196 HB2 GLN 30 1HB GLN 30 -6.609 4.419 8.629 197 HB3 GLN 30 2HB GLN 30 -5.441 5.444 9.453 198 HG2 GLN 30 1HG GLN 30 -6.562 7.392 8.897 199 HG3 GLN 30 2HG GLN 30 -7.425 6.631 7.562 200 HE21 GLN 30 1HE2 GLN 30 -8.826 8.129 9.299 201 HE22 GLN 30 2HE2 GLN 30 -9.815 7.133 10.306 202 H HIS 31 H HIS 31 -4.817 2.809 7.255 203 HA HIS 31 HA HIS 31 -2.495 2.530 8.800 204 HB2 HIS 31 1HB HIS 31 -3.622 0.532 8.577 205 HB3 HIS 31 2HB HIS 31 -3.967 0.793 6.870 206 HD1 HIS 31 HD1 HIS 31 -1.344 -0.533 9.181 207 HD2 HIS 31 HD2 HIS 31 -2.000 -0.115 5.100 208 HE1 HIS 31 HE1 HIS 31 0.427 -1.930 8.069 209 H GLN 32 H GLN 32 -2.885 2.535 5.260 210 HA GLN 32 HA GLN 32 -0.383 2.112 4.364 211 HB2 GLN 32 1HB GLN 32 -2.158 4.357 3.392 212 HB3 GLN 32 2HB GLN 32 -0.852 3.607 2.485 213 HG2 GLN 32 1HG GLN 32 -2.261 1.422 2.973 214 HG3 GLN 32 2HG GLN 32 -3.570 2.596 3.092 215 HE21 GLN 32 1HE2 GLN 32 -2.882 0.469 1.098 216 HE22 GLN 32 2HE2 GLN 32 -2.910 1.276 -0.428 217 H ARG 33 H ARG 33 -1.458 4.898 6.150 218 HA ARG 33 HA ARG 33 0.474 6.775 5.604 219 HB2 ARG 33 1HB ARG 33 -0.779 6.100 8.271 220 HB3 ARG 33 2HB ARG 33 0.146 7.561 7.952 221 HG2 ARG 33 1HG ARG 33 -2.160 6.945 6.184 222 HG3 ARG 33 2HG ARG 33 -2.481 7.531 7.818 223 HD2 ARG 33 1HD ARG 33 -0.530 8.938 6.031 224 HD3 ARG 33 2HD ARG 33 -2.261 9.241 5.894 225 HE ARG 33 HE ARG 33 -1.370 9.478 8.585 226 HH11 ARG 33 1HH1 ARG 33 -1.452 11.133 5.523 227 HH12 ARG 33 2HH1 ARG 33 -1.376 12.714 6.228 228 HH21 ARG 33 1HH2 ARG 33 -1.270 11.554 9.525 229 HH22 ARG 33 2HH2 ARG 33 -1.272 12.952 8.504 230 H VAL 34 H VAL 34 0.670 4.090 7.921 231 HA VAL 34 HA VAL 34 3.094 4.576 9.100 232 HB VAL 34 HB VAL 34 3.322 2.207 9.487 233 HG11 VAL 34 1HG1 VAL 34 0.702 3.525 9.737 234 HG12 VAL 34 2HG1 VAL 34 0.697 1.773 9.944 235 HG13 VAL 34 3HG1 VAL 34 1.722 2.781 10.967 236 HG21 VAL 34 3HG2 VAL 34 1.954 2.017 6.949 237 HG22 VAL 34 1HG2 VAL 34 2.906 0.806 7.808 238 HG23 VAL 34 2HG2 VAL 34 1.190 0.998 8.168 239 H HIS 35 H HIS 35 2.473 3.636 5.823 240 HA HIS 35 HA HIS 35 5.273 2.987 5.329 241 HB2 HIS 35 1HB HIS 35 2.856 2.940 3.512 242 HB3 HIS 35 2HB HIS 35 4.481 2.477 3.019 243 HD1 HIS 35 HD1 HIS 35 5.511 0.428 4.571 244 HD2 HIS 35 HD2 HIS 35 1.382 0.863 4.417 245 HE1 HIS 35 HE1 HIS 35 4.574 -1.781 5.323 246 H THR 36 H THR 36 2.955 5.532 4.781 247 HA THR 36 HA THR 36 5.012 7.067 3.332 248 HB THR 36 HB THR 36 3.013 6.703 1.973 249 HG1 THR 36 HG1 THR 36 3.563 9.311 2.922 250 HG21 THR 36 3HG2 THR 36 1.580 8.040 4.268 251 HG22 THR 36 1HG2 THR 36 1.325 6.406 3.655 252 HG23 THR 36 2HG2 THR 36 0.874 7.798 2.670 253 H GLY 37 H GLY 37 5.174 6.954 6.087 254 HA2 GLY 37 1HA GLY 37 5.371 9.609 6.834 255 HA3 GLY 37 2HA GLY 37 3.782 9.083 7.369 256 H GLU 38 H GLU 38 7.149 7.903 7.428 257 HA GLU 38 HA GLU 38 6.707 6.470 9.878 258 HB2 GLU 38 1HB GLU 38 9.277 7.090 8.411 259 HB3 GLU 38 2HB GLU 38 9.117 5.967 9.753 260 HG2 GLU 38 1HG GLU 38 7.406 5.561 7.359 261 HG3 GLU 38 2HG GLU 38 9.116 5.144 7.259 262 H LYS 39 H LYS 39 6.795 9.626 9.402 263 HA LYS 39 HA LYS 39 8.358 10.187 11.837 264 HB2 LYS 39 1HB LYS 39 9.130 11.240 9.653 265 HB3 LYS 39 2HB LYS 39 7.654 12.194 9.698 266 HG2 LYS 39 1HG LYS 39 8.342 13.134 11.858 267 HG3 LYS 39 2HG LYS 39 9.839 12.203 11.771 268 HD2 LYS 39 1HD LYS 39 10.326 13.369 9.602 269 HD3 LYS 39 2HD LYS 39 8.937 14.409 9.926 270 HE2 LYS 39 1HE LYS 39 11.299 14.087 11.773 271 HE3 LYS 39 2HE LYS 39 11.121 15.394 10.602 272 HZ1 LYS 39 3HZ LYS 39 10.195 16.425 12.358 273 HZ2 LYS 39 1HZ LYS 39 9.778 14.987 13.145 274 HZ3 LYS 39 2HZ LYS 39 8.807 15.577 11.892 275 HA PRO 40 HA PRO 40 4.567 11.330 13.779 276 HB2 PRO 40 1HB PRO 40 5.593 12.811 15.810 277 HB3 PRO 40 2HB PRO 40 5.683 11.046 15.767 278 HG2 PRO 40 1HG PRO 40 7.767 13.067 15.037 279 HG3 PRO 40 2HG PRO 40 7.942 11.562 15.960 280 HD2 PRO 40 1HD PRO 40 8.621 11.756 13.345 281 HD3 PRO 40 2HD PRO 40 7.994 10.257 14.061 282 H SER 41 H SER 41 3.568 13.411 14.747 283 HA SER 41 HA SER 41 3.462 15.352 12.674 284 HB2 SER 41 1HB SER 41 2.251 15.241 15.437 285 HB3 SER 41 2HB SER 41 1.976 16.588 14.333 286 HG SER 41 HG SER 41 1.362 14.758 12.813 287 H GLY 42 H GLY 42 3.579 17.764 13.257 288 HA2 GLY 42 1HA GLY 42 6.275 18.310 14.064 289 HA3 GLY 42 2HA GLY 42 5.073 19.495 13.574 290 HA PRO 43 HA PRO 43 5.701 19.137 18.342 291 HB2 PRO 43 1HB PRO 43 7.782 20.834 18.743 292 HB3 PRO 43 2HB PRO 43 7.992 19.095 18.506 293 HG2 PRO 43 1HG PRO 43 8.306 21.327 16.536 294 HG3 PRO 43 2HG PRO 43 9.334 19.903 16.787 295 HD2 PRO 43 1HD PRO 43 7.518 20.054 14.784 296 HD3 PRO 43 2HD PRO 43 7.934 18.524 15.583 297 H SER 44 H SER 44 5.011 21.294 15.944 298 HA SER 44 HA SER 44 4.955 23.824 16.791 299 HB2 SER 44 1HB SER 44 3.027 24.202 15.495 300 HB3 SER 44 2HB SER 44 3.747 22.765 14.771 301 HG SER 44 HG SER 44 2.230 21.737 16.509 302 H SER 45 H SER 45 4.383 24.898 18.555 303 HA SER 45 HA SER 45 2.847 23.564 20.617 304 HB2 SER 45 1HB SER 45 4.904 24.881 21.143 305 HB3 SER 45 2HB SER 45 4.051 26.341 20.645 306 HG SER 45 HG SER 45 4.076 25.597 23.001 307 H GLY 46 H GLY 46 2.576 26.497 18.633 308 HA2 GLY 46 1HA GLY 46 0.281 27.613 19.643 309 HA3 GLY 46 2HA GLY 46 0.711 27.653 17.940 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -2.832 -33.067 -3.149 2 HA2 GLY 1 1HA GLY 1 -0.289 -31.868 -2.327 3 HA3 GLY 1 2HA GLY 1 -0.455 -32.354 -4.008 4 H SER 2 H SER 2 0.083 -29.737 -3.331 5 HA SER 2 HA SER 2 -0.575 -27.611 -3.804 6 HB2 SER 2 1HB SER 2 -2.942 -28.954 -5.132 7 HB3 SER 2 2HB SER 2 -2.425 -27.287 -5.378 8 HG SER 2 HG SER 2 -1.279 -29.666 -6.286 9 H SER 3 H SER 3 -1.184 -28.575 -1.280 10 HA SER 3 HA SER 3 -3.767 -27.268 -0.721 11 HB2 SER 3 1HB SER 3 -2.483 -29.685 0.522 12 HB3 SER 3 2HB SER 3 -3.652 -28.725 1.429 13 HG SER 3 HG SER 3 -4.105 -29.911 -1.111 14 H GLY 4 H GLY 4 -3.811 -26.615 1.741 15 HA2 GLY 4 1HA GLY 4 -2.690 -25.620 3.569 16 HA3 GLY 4 2HA GLY 4 -1.223 -25.558 2.604 17 H SER 5 H SER 5 -4.533 -24.232 2.558 18 HA SER 5 HA SER 5 -3.455 -21.751 1.427 19 HB2 SER 5 1HB SER 5 -5.348 -22.783 0.236 20 HB3 SER 5 2HB SER 5 -6.328 -22.670 1.698 21 HG SER 5 HG SER 5 -5.315 -20.569 0.098 22 H SER 6 H SER 6 -2.807 -22.144 4.066 23 HA SER 6 HA SER 6 -4.578 -21.170 5.980 24 HB2 SER 6 1HB SER 6 -2.666 -20.807 7.381 25 HB3 SER 6 2HB SER 6 -2.325 -22.233 6.401 26 HG SER 6 HG SER 6 -1.378 -20.402 4.947 27 H GLY 7 H GLY 7 -5.653 -19.312 5.926 28 HA2 GLY 7 1HA GLY 7 -4.162 -16.836 5.503 29 HA3 GLY 7 2HA GLY 7 -5.500 -17.152 4.407 30 H THR 8 H THR 8 -4.620 -15.672 7.244 31 HA THR 8 HA THR 8 -7.282 -15.874 8.449 32 HB THR 8 HB THR 8 -5.792 -16.111 10.187 33 HG1 THR 8 HG1 THR 8 -6.009 -14.275 11.377 34 HG21 THR 8 3HG2 THR 8 -3.737 -15.824 8.976 35 HG22 THR 8 1HG2 THR 8 -3.689 -14.777 10.393 36 HG23 THR 8 2HG2 THR 8 -4.025 -14.093 8.803 37 H GLY 9 H GLY 9 -8.283 -14.617 6.739 38 HA2 GLY 9 1HA GLY 9 -8.780 -11.976 7.419 39 HA3 GLY 9 2HA GLY 9 -7.515 -11.934 6.200 40 H GLU 10 H GLU 10 -7.982 -12.535 4.079 41 HA GLU 10 HA GLU 10 -9.251 -12.814 2.210 42 HB2 GLU 10 1HB GLU 10 -10.119 -14.769 3.762 43 HB3 GLU 10 2HB GLU 10 -11.582 -13.795 3.799 44 HG2 GLU 10 1HG GLU 10 -11.600 -13.834 1.316 45 HG3 GLU 10 2HG GLU 10 -10.234 -14.947 1.369 46 H LYS 11 H LYS 11 -9.276 -10.337 3.608 47 HA LYS 11 HA LYS 11 -12.024 -9.371 3.354 48 HB2 LYS 11 1HB LYS 11 -9.579 -7.862 4.287 49 HB3 LYS 11 2HB LYS 11 -11.256 -7.359 4.451 50 HG2 LYS 11 1HG LYS 11 -10.434 -9.941 5.672 51 HG3 LYS 11 2HG LYS 11 -9.937 -8.438 6.454 52 HD2 LYS 11 1HD LYS 11 -12.078 -7.856 7.005 53 HD3 LYS 11 2HD LYS 11 -12.778 -8.700 5.622 54 HE2 LYS 11 1HE LYS 11 -12.171 -10.855 6.761 55 HE3 LYS 11 2HE LYS 11 -11.742 -9.904 8.182 56 HZ1 LYS 11 3HZ LYS 11 -14.374 -10.487 7.062 57 HZ2 LYS 11 1HZ LYS 11 -14.157 -8.964 7.767 58 HZ3 LYS 11 2HZ LYS 11 -13.889 -10.364 8.678 59 HA PRO 12 HA PRO 12 -11.407 -7.525 -0.585 60 HB2 PRO 12 1HB PRO 12 -13.113 -5.420 -0.411 61 HB3 PRO 12 2HB PRO 12 -13.663 -7.090 -0.587 62 HG2 PRO 12 1HG PRO 12 -13.474 -5.409 1.882 63 HG3 PRO 12 2HG PRO 12 -14.773 -6.502 1.370 64 HD2 PRO 12 1HD PRO 12 -12.917 -7.207 3.212 65 HD3 PRO 12 2HD PRO 12 -13.652 -8.379 2.099 66 H TYR 13 H TYR 13 -10.375 -6.106 2.260 67 HA TYR 13 HA TYR 13 -9.015 -3.957 0.773 68 HB2 TYR 13 1HB TYR 13 -9.833 -3.729 3.667 69 HB3 TYR 13 2HB TYR 13 -9.253 -2.454 2.602 70 HD1 TYR 13 HD2 TYR 13 -10.780 -2.208 0.382 71 HD2 TYR 13 HD1 TYR 13 -12.085 -3.726 4.136 72 HE1 TYR 13 HE2 TYR 13 -13.099 -1.632 -0.199 73 HE2 TYR 13 HE1 TYR 13 -14.409 -3.156 3.565 74 HH TYR 13 HH TYR 13 -15.709 -1.946 2.130 75 H GLU 14 H GLU 14 -6.936 -4.464 0.646 76 HA GLU 14 HA GLU 14 -5.564 -5.379 3.073 77 HB2 GLU 14 1HB GLU 14 -6.132 -7.197 1.232 78 HB3 GLU 14 2HB GLU 14 -4.712 -6.518 0.450 79 HG2 GLU 14 1HG GLU 14 -3.331 -7.068 2.315 80 HG3 GLU 14 2HG GLU 14 -4.731 -7.544 3.275 81 H CYS 15 H CYS 15 -3.232 -5.026 3.021 82 HA CYS 15 HA CYS 15 -2.594 -2.581 1.545 83 HB2 CYS 15 1HB CYS 15 -2.314 -2.624 4.021 84 HB3 CYS 15 2HB CYS 15 -1.089 -3.873 3.827 85 H LYS 16 H LYS 16 -1.419 -2.700 -0.238 86 HA LYS 16 HA LYS 16 0.025 -5.128 -0.886 87 HB2 LYS 16 1HB LYS 16 -0.707 -2.634 -2.381 88 HB3 LYS 16 2HB LYS 16 0.540 -3.700 -3.014 89 HG2 LYS 16 1HG LYS 16 -2.067 -4.889 -2.225 90 HG3 LYS 16 2HG LYS 16 -1.979 -3.955 -3.720 91 HD2 LYS 16 1HD LYS 16 -0.091 -5.383 -4.450 92 HD3 LYS 16 2HD LYS 16 -0.299 -6.354 -2.990 93 HE2 LYS 16 1HE LYS 16 -2.705 -6.690 -3.756 94 HE3 LYS 16 2HE LYS 16 -2.187 -6.032 -5.307 95 HZ1 LYS 16 3HZ LYS 16 -1.194 -7.935 -5.846 96 HZ2 LYS 16 1HZ LYS 16 -2.039 -8.638 -4.560 97 HZ3 LYS 16 2HZ LYS 16 -0.453 -8.097 -4.334 98 H GLU 17 H GLU 17 0.994 -3.435 1.301 99 HA GLU 17 HA GLU 17 3.657 -2.799 0.212 100 HB2 GLU 17 1HB GLU 17 2.467 -1.459 2.633 101 HB3 GLU 17 2HB GLU 17 3.878 -0.972 1.705 102 HG2 GLU 17 1HG GLU 17 1.251 -1.067 0.326 103 HG3 GLU 17 2HG GLU 17 1.564 0.252 1.453 104 H CYS 18 H CYS 18 1.784 -4.164 2.837 105 HA CYS 18 HA CYS 18 4.229 -5.475 3.818 106 HB2 CYS 18 1HB CYS 18 3.275 -5.331 6.124 107 HB3 CYS 18 2HB CYS 18 3.701 -3.768 5.434 108 H GLY 19 H GLY 19 0.684 -5.561 3.687 109 HA2 GLY 19 1HA GLY 19 -0.328 -7.606 2.787 110 HA3 GLY 19 2HA GLY 19 0.868 -8.510 3.705 111 H LYS 20 H LYS 20 -1.530 -5.956 4.387 112 HA LYS 20 HA LYS 20 -2.552 -7.640 6.572 113 HB2 LYS 20 1HB LYS 20 -1.108 -5.806 7.447 114 HB3 LYS 20 2HB LYS 20 -2.197 -4.640 6.705 115 HG2 LYS 20 1HG LYS 20 -3.981 -5.270 8.147 116 HG3 LYS 20 2HG LYS 20 -3.074 -6.655 8.759 117 HD2 LYS 20 1HD LYS 20 -1.359 -4.984 9.593 118 HD3 LYS 20 2HD LYS 20 -2.545 -3.729 9.229 119 HE2 LYS 20 1HE LYS 20 -2.971 -6.067 11.088 120 HE3 LYS 20 2HE LYS 20 -2.616 -4.414 11.586 121 HZ1 LYS 20 3HZ LYS 20 -4.782 -4.030 11.548 122 HZ2 LYS 20 1HZ LYS 20 -5.106 -5.566 10.917 123 HZ3 LYS 20 2HZ LYS 20 -4.787 -4.274 9.874 124 H ALA 21 H ALA 21 -4.712 -7.840 6.661 125 HA ALA 21 HA ALA 21 -6.285 -6.325 4.700 126 HB1 ALA 21 3HB ALA 21 -6.175 -8.993 5.068 127 HB2 ALA 21 1HB ALA 21 -7.544 -8.588 6.103 128 HB3 ALA 21 2HB ALA 21 -7.571 -8.151 4.394 129 H PHE 22 H PHE 22 -7.978 -5.057 5.277 130 HA PHE 22 HA PHE 22 -8.606 -4.875 8.149 131 HB2 PHE 22 1HB PHE 22 -8.587 -2.566 6.197 132 HB3 PHE 22 2HB PHE 22 -8.848 -2.480 7.936 133 HD1 PHE 22 HD1 PHE 22 -6.309 -3.543 5.431 134 HD2 PHE 22 HD2 PHE 22 -7.069 -2.024 9.334 135 HE1 PHE 22 HE1 PHE 22 -3.894 -3.220 5.771 136 HE2 PHE 22 HE2 PHE 22 -4.655 -1.697 9.680 137 HZ PHE 22 HZ PHE 22 -3.064 -2.295 7.898 138 H SER 23 H SER 23 -10.685 -5.080 8.676 139 HA SER 23 HA SER 23 -12.638 -5.936 6.930 140 HB2 SER 23 1HB SER 23 -14.256 -5.460 8.710 141 HB3 SER 23 2HB SER 23 -12.788 -6.169 9.381 142 HG SER 23 HG SER 23 -13.466 -4.369 10.598 143 H GLN 24 H GLN 24 -11.917 -2.642 7.981 144 HA GLN 24 HA GLN 24 -13.960 -1.627 6.131 145 HB2 GLN 24 1HB GLN 24 -12.573 -0.410 8.508 146 HB3 GLN 24 2HB GLN 24 -13.441 0.581 7.343 147 HG2 GLN 24 1HG GLN 24 -15.419 -0.999 7.796 148 HG3 GLN 24 2HG GLN 24 -14.510 -1.477 9.230 149 HE21 GLN 24 1HE2 GLN 24 -17.041 -0.238 9.253 150 HE22 GLN 24 2HE2 GLN 24 -16.873 1.305 10.011 151 H THR 25 H THR 25 -13.459 -0.107 4.556 152 HA THR 25 HA THR 25 -10.918 -0.358 3.344 153 HB THR 25 HB THR 25 -12.883 0.097 1.992 154 HG1 THR 25 HG1 THR 25 -11.962 2.186 1.005 155 HG21 THR 25 3HG2 THR 25 -14.120 2.119 2.078 156 HG22 THR 25 1HG2 THR 25 -12.953 2.872 3.163 157 HG23 THR 25 2HG2 THR 25 -13.980 1.561 3.744 158 H THR 26 H THR 26 -12.426 2.248 5.213 159 HA THR 26 HA THR 26 -10.399 4.157 4.924 160 HB THR 26 HB THR 26 -12.492 4.869 5.819 161 HG1 THR 26 HG1 THR 26 -10.393 5.715 6.756 162 HG21 THR 26 3HG2 THR 26 -12.294 2.478 7.370 163 HG22 THR 26 1HG2 THR 26 -13.682 3.543 7.155 164 HG23 THR 26 2HG2 THR 26 -12.530 3.846 8.456 165 H HIS 27 H HIS 27 -10.614 1.329 6.931 166 HA HIS 27 HA HIS 27 -8.639 2.032 8.834 167 HB2 HIS 27 1HB HIS 27 -9.974 -0.491 7.978 168 HB3 HIS 27 2HB HIS 27 -8.483 -0.626 8.906 169 HD1 HIS 27 HD1 HIS 27 -9.728 -1.598 10.945 170 HD2 HIS 27 HD2 HIS 27 -11.006 2.196 9.833 171 HE1 HIS 27 HE1 HIS 27 -11.140 -0.777 12.857 172 H LEU 28 H LEU 28 -8.507 0.330 5.737 173 HA LEU 28 HA LEU 28 -5.772 -0.375 5.878 174 HB2 LEU 28 1HB LEU 28 -7.191 -1.526 4.352 175 HB3 LEU 28 2HB LEU 28 -7.657 -0.022 3.560 176 HG LEU 28 HG LEU 28 -5.391 0.198 2.653 177 HD11 LEU 28 1HD1 LEU 28 -4.155 -0.934 4.408 178 HD12 LEU 28 2HD1 LEU 28 -3.815 -1.670 2.843 179 HD13 LEU 28 3HD1 LEU 28 -4.907 -2.469 3.974 180 HD21 LEU 28 3HD2 LEU 28 -5.566 -1.498 0.990 181 HD22 LEU 28 1HD2 LEU 28 -7.206 -1.042 1.451 182 HD23 LEU 28 2HD2 LEU 28 -6.502 -2.539 2.063 183 H ILE 29 H ILE 29 -7.424 2.286 4.179 184 HA ILE 29 HA ILE 29 -5.171 3.523 3.118 185 HB ILE 29 HB ILE 29 -7.706 4.858 4.074 186 HG12 ILE 29 1HG1 ILE 29 -7.075 4.096 1.237 187 HG13 ILE 29 2HG1 ILE 29 -7.795 2.926 2.337 188 HG21 ILE 29 1HG2 ILE 29 -5.748 5.820 1.998 189 HG22 ILE 29 2HG2 ILE 29 -7.147 6.680 2.637 190 HG23 ILE 29 3HG2 ILE 29 -5.755 6.369 3.674 191 HD11 ILE 29 3HD1 ILE 29 -9.157 4.694 0.762 192 HD12 ILE 29 1HD1 ILE 29 -9.808 3.857 2.171 193 HD13 ILE 29 2HD1 ILE 29 -9.166 5.492 2.334 194 H GLN 30 H GLN 30 -6.760 4.047 6.249 195 HA GLN 30 HA GLN 30 -5.101 6.138 7.126 196 HB2 GLN 30 1HB GLN 30 -6.747 4.100 8.616 197 HB3 GLN 30 2HB GLN 30 -5.851 5.370 9.439 198 HG2 GLN 30 1HG GLN 30 -7.779 6.049 7.260 199 HG3 GLN 30 2HG GLN 30 -8.350 5.719 8.895 200 HE21 GLN 30 1HE2 GLN 30 -8.628 8.177 7.545 201 HE22 GLN 30 2HE2 GLN 30 -7.721 9.366 8.409 202 H HIS 31 H HIS 31 -4.631 2.710 6.991 203 HA HIS 31 HA HIS 31 -2.429 2.682 8.853 204 HB2 HIS 31 1HB HIS 31 -3.475 0.624 8.849 205 HB3 HIS 31 2HB HIS 31 -3.784 0.666 7.115 206 HD1 HIS 31 HD1 HIS 31 -1.262 -0.382 9.635 207 HD2 HIS 31 HD2 HIS 31 -1.641 -0.225 5.500 208 HE1 HIS 31 HE1 HIS 31 0.621 -1.784 8.733 209 H GLN 32 H GLN 32 -2.864 2.752 5.362 210 HA GLN 32 HA GLN 32 -0.306 2.183 4.495 211 HB2 GLN 32 1HB GLN 32 -2.455 3.982 3.422 212 HB3 GLN 32 2HB GLN 32 -0.896 3.879 2.615 213 HG2 GLN 32 1HG GLN 32 -1.198 1.642 2.049 214 HG3 GLN 32 2HG GLN 32 -2.479 1.418 3.240 215 HE21 GLN 32 1HE2 GLN 32 -3.829 0.558 1.634 216 HE22 GLN 32 2HE2 GLN 32 -4.610 1.571 0.474 217 H ARG 33 H ARG 33 -1.415 4.905 6.263 218 HA ARG 33 HA ARG 33 0.428 6.863 5.502 219 HB2 ARG 33 1HB ARG 33 -1.071 6.335 8.053 220 HB3 ARG 33 2HB ARG 33 0.074 7.665 7.939 221 HG2 ARG 33 1HG ARG 33 -1.804 8.781 7.355 222 HG3 ARG 33 2HG ARG 33 -1.349 8.187 5.757 223 HD2 ARG 33 1HD ARG 33 -2.813 6.178 6.236 224 HD3 ARG 33 2HD ARG 33 -3.412 7.065 7.637 225 HE ARG 33 HE ARG 33 -4.129 7.483 4.908 226 HH11 ARG 33 1HH1 ARG 33 -3.701 9.081 7.971 227 HH12 ARG 33 2HH1 ARG 33 -4.815 10.357 7.610 228 HH21 ARG 33 1HH2 ARG 33 -5.599 9.158 4.420 229 HH22 ARG 33 2HH2 ARG 33 -5.896 10.399 5.590 230 H VAL 34 H VAL 34 0.718 4.156 7.720 231 HA VAL 34 HA VAL 34 3.094 4.883 9.008 232 HB VAL 34 HB VAL 34 3.256 2.682 9.769 233 HG11 VAL 34 1HG1 VAL 34 0.752 3.920 9.703 234 HG12 VAL 34 2HG1 VAL 34 0.447 2.218 9.348 235 HG13 VAL 34 3HG1 VAL 34 1.300 2.673 10.823 236 HG21 VAL 34 3HG2 VAL 34 2.172 0.763 8.597 237 HG22 VAL 34 1HG2 VAL 34 1.800 1.856 7.263 238 HG23 VAL 34 2HG2 VAL 34 3.479 1.520 7.686 239 H HIS 35 H HIS 35 2.512 3.752 5.803 240 HA HIS 35 HA HIS 35 5.291 3.005 5.367 241 HB2 HIS 35 1HB HIS 35 2.896 3.007 3.522 242 HB3 HIS 35 2HB HIS 35 4.509 2.482 3.051 243 HD1 HIS 35 HD1 HIS 35 5.427 0.312 4.303 244 HD2 HIS 35 HD2 HIS 35 1.381 1.117 4.804 245 HE1 HIS 35 HE1 HIS 35 4.421 -1.819 5.179 246 H THR 36 H THR 36 4.385 5.804 5.965 247 HA THR 36 HA THR 36 4.930 7.239 3.503 248 HB THR 36 HB THR 36 3.250 8.129 5.061 249 HG1 THR 36 HG1 THR 36 4.616 9.541 3.723 250 HG21 THR 36 3HG2 THR 36 4.654 7.327 7.099 251 HG22 THR 36 1HG2 THR 36 3.698 8.802 7.236 252 HG23 THR 36 2HG2 THR 36 5.437 8.901 6.955 253 H GLY 37 H GLY 37 7.052 5.570 4.391 254 HA2 GLY 37 1HA GLY 37 9.371 6.085 4.044 255 HA3 GLY 37 2HA GLY 37 9.103 7.636 4.827 256 H GLU 38 H GLU 38 9.849 7.811 6.827 257 HA GLU 38 HA GLU 38 10.943 7.182 8.747 258 HB2 GLU 38 1HB GLU 38 8.329 6.934 9.056 259 HB3 GLU 38 2HB GLU 38 8.733 5.232 9.230 260 HG2 GLU 38 1HG GLU 38 10.136 5.683 11.106 261 HG3 GLU 38 2HG GLU 38 9.991 7.423 10.861 262 H LYS 39 H LYS 39 11.883 5.724 6.524 263 HA LYS 39 HA LYS 39 12.228 2.996 7.542 264 HB2 LYS 39 1HB LYS 39 12.469 4.278 4.864 265 HB3 LYS 39 2HB LYS 39 13.492 2.887 5.198 266 HG2 LYS 39 1HG LYS 39 11.449 1.609 5.809 267 HG3 LYS 39 2HG LYS 39 10.485 2.993 5.285 268 HD2 LYS 39 1HD LYS 39 10.482 1.733 3.368 269 HD3 LYS 39 2HD LYS 39 11.908 2.735 3.087 270 HE2 LYS 39 1HE LYS 39 12.495 0.491 2.547 271 HE3 LYS 39 2HE LYS 39 13.286 0.891 4.071 272 HZ1 LYS 39 3HZ LYS 39 10.771 -0.664 3.785 273 HZ2 LYS 39 1HZ LYS 39 11.529 -0.278 5.248 274 HZ3 LYS 39 2HZ LYS 39 12.294 -1.307 4.145 275 HA PRO 40 HA PRO 40 16.339 3.687 8.921 276 HB2 PRO 40 1HB PRO 40 17.475 1.277 8.402 277 HB3 PRO 40 2HB PRO 40 16.309 1.528 9.707 278 HG2 PRO 40 1HG PRO 40 15.873 0.399 6.969 279 HG3 PRO 40 2HG PRO 40 15.236 -0.163 8.526 280 HD2 PRO 40 1HD PRO 40 13.763 1.310 6.796 281 HD3 PRO 40 2HD PRO 40 13.563 1.422 8.557 282 H SER 41 H SER 41 17.553 5.083 7.781 283 HA SER 41 HA SER 41 18.057 5.188 5.105 284 HB2 SER 41 1HB SER 41 19.805 6.688 5.570 285 HB3 SER 41 2HB SER 41 18.762 6.818 6.986 286 HG SER 41 HG SER 41 20.739 6.543 7.833 287 H GLY 42 H GLY 42 19.128 3.999 3.665 288 HA2 GLY 42 1HA GLY 42 21.596 2.764 4.026 289 HA3 GLY 42 2HA GLY 42 20.370 1.558 4.388 290 HA PRO 43 HA PRO 43 20.250 0.595 0.104 291 HB2 PRO 43 1HB PRO 43 17.803 -0.576 -0.014 292 HB3 PRO 43 2HB PRO 43 19.207 -1.357 0.723 293 HG2 PRO 43 1HG PRO 43 16.950 0.110 2.034 294 HG3 PRO 43 2HG PRO 43 17.727 -1.410 2.516 295 HD2 PRO 43 1HD PRO 43 18.305 0.959 3.693 296 HD3 PRO 43 2HD PRO 43 19.508 -0.333 3.504 297 H SER 44 H SER 44 17.323 2.089 1.469 298 HA SER 44 HA SER 44 16.838 3.390 -1.122 299 HB2 SER 44 1HB SER 44 14.553 3.649 -0.472 300 HB3 SER 44 2HB SER 44 15.007 1.994 -0.064 301 HG SER 44 HG SER 44 13.850 3.133 1.615 302 H SER 45 H SER 45 16.491 5.613 -1.250 303 HA SER 45 HA SER 45 16.482 7.350 0.984 304 HB2 SER 45 1HB SER 45 18.715 8.389 0.637 305 HB3 SER 45 2HB SER 45 18.823 6.720 1.197 306 HG SER 45 HG SER 45 18.803 7.143 -1.555 307 H GLY 46 H GLY 46 17.022 9.696 0.203 308 HA2 GLY 46 1HA GLY 46 16.236 11.411 -1.117 309 HA3 GLY 46 2HA GLY 46 17.017 10.517 -2.413 Start of MODEL 15 1 H1 GLY 1 H GLY 1 7.356 -22.708 3.098 2 HA2 GLY 1 1HA GLY 1 8.284 -20.790 4.033 3 HA3 GLY 1 2HA GLY 1 7.241 -19.818 3.005 4 H SER 2 H SER 2 7.637 -19.072 5.596 5 HA SER 2 HA SER 2 5.662 -20.107 7.370 6 HB2 SER 2 1HB SER 2 7.811 -18.843 7.981 7 HB3 SER 2 2HB SER 2 6.919 -17.374 7.586 8 HG SER 2 HG SER 2 5.929 -17.531 9.425 9 H SER 3 H SER 3 3.551 -19.856 7.127 10 HA SER 3 HA SER 3 2.501 -17.225 6.403 11 HB2 SER 3 1HB SER 3 2.062 -19.769 4.883 12 HB3 SER 3 2HB SER 3 0.764 -18.578 4.965 13 HG SER 3 HG SER 3 2.181 -17.054 4.069 14 H GLY 4 H GLY 4 1.255 -16.687 8.067 15 HA2 GLY 4 1HA GLY 4 -0.893 -18.450 8.881 16 HA3 GLY 4 2HA GLY 4 0.317 -18.157 10.121 17 H SER 5 H SER 5 -2.626 -17.354 9.596 18 HA SER 5 HA SER 5 -2.314 -14.666 10.670 19 HB2 SER 5 1HB SER 5 -2.624 -14.703 8.053 20 HB3 SER 5 2HB SER 5 -4.314 -14.993 8.465 21 HG SER 5 HG SER 5 -2.788 -12.714 8.751 22 H SER 6 H SER 6 -3.829 -14.172 12.158 23 HA SER 6 HA SER 6 -5.507 -16.213 13.159 24 HB2 SER 6 1HB SER 6 -6.228 -14.604 14.794 25 HB3 SER 6 2HB SER 6 -4.510 -14.333 14.506 26 HG SER 6 HG SER 6 -5.369 -12.345 14.375 27 H GLY 7 H GLY 7 -7.419 -16.861 12.440 28 HA2 GLY 7 1HA GLY 7 -9.739 -16.297 11.996 29 HA3 GLY 7 2HA GLY 7 -9.169 -14.878 11.131 30 H THR 8 H THR 8 -10.957 -16.390 9.858 31 HA THR 8 HA THR 8 -9.344 -17.827 7.852 32 HB THR 8 HB THR 8 -10.672 -19.450 9.097 33 HG1 THR 8 HG1 THR 8 -11.940 -19.058 6.585 34 HG21 THR 8 3HG2 THR 8 -12.618 -17.405 9.096 35 HG22 THR 8 1HG2 THR 8 -12.719 -18.996 9.849 36 HG23 THR 8 2HG2 THR 8 -13.302 -18.763 8.201 37 H GLY 9 H GLY 9 -9.737 -17.377 5.731 38 HA2 GLY 9 1HA GLY 9 -11.110 -16.604 3.933 39 HA3 GLY 9 2HA GLY 9 -12.018 -15.638 5.087 40 H GLU 10 H GLU 10 -11.363 -14.309 2.935 41 HA GLU 10 HA GLU 10 -9.087 -12.641 3.771 42 HB2 GLU 10 1HB GLU 10 -8.489 -12.273 1.443 43 HB3 GLU 10 2HB GLU 10 -8.456 -13.991 1.812 44 HG2 GLU 10 1HG GLU 10 -10.529 -14.347 0.688 45 HG3 GLU 10 2HG GLU 10 -10.776 -12.613 0.487 46 H LYS 11 H LYS 11 -9.404 -10.474 3.740 47 HA LYS 11 HA LYS 11 -12.123 -9.550 3.348 48 HB2 LYS 11 1HB LYS 11 -9.661 -8.482 4.630 49 HB3 LYS 11 2HB LYS 11 -10.832 -7.310 4.038 50 HG2 LYS 11 1HG LYS 11 -11.399 -7.655 6.277 51 HG3 LYS 11 2HG LYS 11 -12.568 -8.613 5.365 52 HD2 LYS 11 1HD LYS 11 -10.051 -9.937 6.230 53 HD3 LYS 11 2HD LYS 11 -11.271 -9.599 7.459 54 HE2 LYS 11 1HE LYS 11 -12.879 -10.674 5.670 55 HE3 LYS 11 2HE LYS 11 -11.387 -11.426 5.108 56 HZ1 LYS 11 3HZ LYS 11 -12.990 -12.197 7.252 57 HZ2 LYS 11 1HZ LYS 11 -11.527 -11.652 7.904 58 HZ3 LYS 11 2HZ LYS 11 -11.530 -12.885 6.747 59 HA PRO 12 HA PRO 12 -11.622 -7.739 -0.619 60 HB2 PRO 12 1HB PRO 12 -13.226 -5.558 -0.410 61 HB3 PRO 12 2HB PRO 12 -13.855 -7.206 -0.527 62 HG2 PRO 12 1HG PRO 12 -13.480 -5.489 1.896 63 HG3 PRO 12 2HG PRO 12 -14.847 -6.534 1.466 64 HD2 PRO 12 1HD PRO 12 -12.939 -7.285 3.235 65 HD3 PRO 12 2HD PRO 12 -13.774 -8.444 2.181 66 H TYR 13 H TYR 13 -10.303 -6.397 2.103 67 HA TYR 13 HA TYR 13 -8.887 -4.376 0.516 68 HB2 TYR 13 1HB TYR 13 -9.823 -3.895 3.348 69 HB3 TYR 13 2HB TYR 13 -9.017 -2.747 2.286 70 HD1 TYR 13 HD2 TYR 13 -10.259 -2.095 0.119 71 HD2 TYR 13 HD1 TYR 13 -12.151 -3.974 3.434 72 HE1 TYR 13 HE2 TYR 13 -12.443 -1.297 -0.683 73 HE2 TYR 13 HE1 TYR 13 -14.341 -3.182 2.640 74 HH TYR 13 HH TYR 13 -15.346 -1.658 1.228 75 H GLU 14 H GLU 14 -6.748 -4.533 0.689 76 HA GLU 14 HA GLU 14 -5.479 -5.382 3.135 77 HB2 GLU 14 1HB GLU 14 -6.153 -7.505 1.895 78 HB3 GLU 14 2HB GLU 14 -4.977 -7.046 0.672 79 HG2 GLU 14 1HG GLU 14 -3.398 -6.875 2.791 80 HG3 GLU 14 2HG GLU 14 -4.562 -8.034 3.433 81 H CYS 15 H CYS 15 -3.549 -4.427 3.348 82 HA CYS 15 HA CYS 15 -2.653 -2.527 1.481 83 HB2 CYS 15 1HB CYS 15 -2.169 -2.371 3.884 84 HB3 CYS 15 2HB CYS 15 -1.143 -3.798 3.774 85 H LYS 16 H LYS 16 -1.663 -2.844 -0.388 86 HA LYS 16 HA LYS 16 -0.377 -5.381 -0.960 87 HB2 LYS 16 1HB LYS 16 -0.902 -2.950 -2.677 88 HB3 LYS 16 2HB LYS 16 -0.132 -4.420 -3.258 89 HG2 LYS 16 1HG LYS 16 -2.260 -4.858 -3.896 90 HG3 LYS 16 2HG LYS 16 -2.328 -5.518 -2.261 91 HD2 LYS 16 1HD LYS 16 -3.135 -3.225 -1.527 92 HD3 LYS 16 2HD LYS 16 -3.345 -2.861 -3.241 93 HE2 LYS 16 1HE LYS 16 -4.575 -5.284 -1.958 94 HE3 LYS 16 2HE LYS 16 -5.382 -3.717 -1.959 95 HZ1 LYS 16 3HZ LYS 16 -4.397 -4.609 -4.535 96 HZ2 LYS 16 1HZ LYS 16 -5.866 -3.874 -4.131 97 HZ3 LYS 16 2HZ LYS 16 -5.658 -5.535 -3.890 98 H GLU 17 H GLU 17 0.956 -3.898 1.007 99 HA GLU 17 HA GLU 17 3.484 -3.347 -0.385 100 HB2 GLU 17 1HB GLU 17 2.450 -1.741 1.956 101 HB3 GLU 17 2HB GLU 17 3.949 -1.472 1.078 102 HG2 GLU 17 1HG GLU 17 2.280 -1.257 -0.965 103 HG3 GLU 17 2HG GLU 17 1.160 -0.817 0.323 104 H CYS 18 H CYS 18 1.903 -4.103 2.693 105 HA CYS 18 HA CYS 18 4.335 -5.569 3.486 106 HB2 CYS 18 1HB CYS 18 3.681 -5.136 5.838 107 HB3 CYS 18 2HB CYS 18 4.012 -3.655 4.945 108 H GLY 19 H GLY 19 0.802 -5.492 3.567 109 HA2 GLY 19 1HA GLY 19 -0.352 -7.575 3.003 110 HA3 GLY 19 2HA GLY 19 0.851 -8.418 3.968 111 H LYS 20 H LYS 20 -1.552 -5.809 4.326 112 HA LYS 20 HA LYS 20 -2.399 -7.072 6.843 113 HB2 LYS 20 1HB LYS 20 -0.936 -4.994 7.145 114 HB3 LYS 20 2HB LYS 20 -2.285 -4.083 6.479 115 HG2 LYS 20 1HG LYS 20 -3.646 -4.514 8.307 116 HG3 LYS 20 2HG LYS 20 -2.687 -5.906 8.816 117 HD2 LYS 20 1HD LYS 20 -1.502 -3.154 8.793 118 HD3 LYS 20 2HD LYS 20 -2.492 -3.698 10.149 119 HE2 LYS 20 1HE LYS 20 -0.999 -5.479 10.632 120 HE3 LYS 20 2HE LYS 20 -0.127 -5.249 9.118 121 HZ1 LYS 20 3HZ LYS 20 0.248 -3.957 11.632 122 HZ2 LYS 20 1HZ LYS 20 0.036 -2.831 10.387 123 HZ3 LYS 20 2HZ LYS 20 1.263 -3.991 10.280 124 H ALA 21 H ALA 21 -4.466 -7.619 6.739 125 HA ALA 21 HA ALA 21 -6.215 -6.236 4.836 126 HB1 ALA 21 3HB ALA 21 -6.164 -8.606 4.528 127 HB2 ALA 21 1HB ALA 21 -6.494 -8.888 6.238 128 HB3 ALA 21 2HB ALA 21 -7.735 -8.179 5.205 129 H PHE 22 H PHE 22 -7.942 -5.064 5.457 130 HA PHE 22 HA PHE 22 -8.561 -4.980 8.337 131 HB2 PHE 22 1HB PHE 22 -8.646 -2.701 6.348 132 HB3 PHE 22 2HB PHE 22 -9.135 -2.596 8.036 133 HD1 PHE 22 HD2 PHE 22 -7.428 -2.872 9.826 134 HD2 PHE 22 HD1 PHE 22 -6.382 -2.545 5.713 135 HE1 PHE 22 HE2 PHE 22 -5.118 -2.312 10.461 136 HE2 PHE 22 HE1 PHE 22 -4.070 -1.985 6.342 137 HZ PHE 22 HZ PHE 22 -3.435 -1.868 8.719 138 H SER 23 H SER 23 -10.749 -4.540 8.918 139 HA SER 23 HA SER 23 -12.646 -5.969 7.432 140 HB2 SER 23 1HB SER 23 -12.653 -5.339 9.941 141 HB3 SER 23 2HB SER 23 -13.407 -3.833 9.415 142 HG SER 23 HG SER 23 -14.817 -5.542 8.203 143 H GLN 24 H GLN 24 -12.146 -2.470 7.773 144 HA GLN 24 HA GLN 24 -13.966 -2.063 5.494 145 HB2 GLN 24 1HB GLN 24 -13.206 -0.229 7.767 146 HB3 GLN 24 2HB GLN 24 -14.073 0.320 6.339 147 HG2 GLN 24 1HG GLN 24 -15.892 -1.223 6.840 148 HG3 GLN 24 2HG GLN 24 -15.022 -1.790 8.264 149 HE21 GLN 24 1HE2 GLN 24 -15.655 -0.925 10.094 150 HE22 GLN 24 2HE2 GLN 24 -16.362 0.638 10.298 151 H THR 25 H THR 25 -13.399 -0.063 4.179 152 HA THR 25 HA THR 25 -10.715 -0.378 3.211 153 HB THR 25 HB THR 25 -12.544 0.008 1.636 154 HG1 THR 25 HG1 THR 25 -10.358 0.815 1.209 155 HG21 THR 25 3HG2 THR 25 -13.969 1.431 2.997 156 HG22 THR 25 1HG2 THR 25 -13.590 2.237 1.475 157 HG23 THR 25 2HG2 THR 25 -12.761 2.715 2.957 158 H THR 26 H THR 26 -12.521 2.158 4.893 159 HA THR 26 HA THR 26 -10.649 4.202 4.811 160 HB THR 26 HB THR 26 -12.873 4.605 5.671 161 HG1 THR 26 HG1 THR 26 -10.739 5.588 6.675 162 HG21 THR 26 3HG2 THR 26 -13.497 3.808 7.948 163 HG22 THR 26 1HG2 THR 26 -12.056 2.791 7.942 164 HG23 THR 26 2HG2 THR 26 -13.339 2.510 6.765 165 H HIS 27 H HIS 27 -10.766 1.346 6.836 166 HA HIS 27 HA HIS 27 -8.876 2.125 8.768 167 HB2 HIS 27 1HB HIS 27 -9.524 -0.646 7.740 168 HB3 HIS 27 2HB HIS 27 -8.630 -0.291 9.216 169 HD1 HIS 27 HD1 HIS 27 -11.277 -1.903 9.244 170 HD2 HIS 27 HD2 HIS 27 -10.994 2.188 9.911 171 HE1 HIS 27 HE1 HIS 27 -13.327 -1.294 10.568 172 H LEU 28 H LEU 28 -8.507 0.415 5.683 173 HA LEU 28 HA LEU 28 -5.739 -0.045 5.884 174 HB2 LEU 28 1HB LEU 28 -7.029 -1.265 4.291 175 HB3 LEU 28 2HB LEU 28 -7.564 0.219 3.505 176 HG LEU 28 HG LEU 28 -5.228 0.603 2.755 177 HD11 LEU 28 1HD1 LEU 28 -4.772 -2.164 3.864 178 HD12 LEU 28 2HD1 LEU 28 -4.076 -0.667 4.484 179 HD13 LEU 28 3HD1 LEU 28 -3.634 -1.246 2.878 180 HD21 LEU 28 3HD2 LEU 28 -6.706 -1.883 1.954 181 HD22 LEU 28 1HD2 LEU 28 -5.221 -1.385 1.143 182 HD23 LEU 28 2HD2 LEU 28 -6.631 -0.325 1.131 183 H ILE 29 H ILE 29 -7.587 2.618 4.455 184 HA ILE 29 HA ILE 29 -5.555 4.043 3.250 185 HB ILE 29 HB ILE 29 -7.927 5.170 4.741 186 HG12 ILE 29 1HG1 ILE 29 -7.644 4.713 1.773 187 HG13 ILE 29 2HG1 ILE 29 -8.337 3.506 2.850 188 HG21 ILE 29 1HG2 ILE 29 -6.112 6.430 2.690 189 HG22 ILE 29 2HG2 ILE 29 -7.618 7.136 3.275 190 HG23 ILE 29 3HG2 ILE 29 -6.271 6.888 4.386 191 HD11 ILE 29 3HD1 ILE 29 -10.300 4.511 2.766 192 HD12 ILE 29 1HD1 ILE 29 -9.591 6.029 3.316 193 HD13 ILE 29 2HD1 ILE 29 -9.633 5.647 1.594 194 H GLN 30 H GLN 30 -6.679 4.312 6.617 195 HA GLN 30 HA GLN 30 -4.816 6.267 7.406 196 HB2 GLN 30 1HB GLN 30 -6.510 4.276 8.868 197 HB3 GLN 30 2HB GLN 30 -5.294 5.193 9.747 198 HG2 GLN 30 1HG GLN 30 -6.388 7.187 9.459 199 HG3 GLN 30 2HG GLN 30 -7.219 6.645 8.002 200 HE21 GLN 30 1HE2 GLN 30 -8.984 7.737 9.288 201 HE22 GLN 30 2HE2 GLN 30 -9.910 6.728 10.341 202 H HIS 31 H HIS 31 -4.702 2.736 7.467 203 HA HIS 31 HA HIS 31 -2.346 2.408 8.926 204 HB2 HIS 31 1HB HIS 31 -3.486 0.421 8.581 205 HB3 HIS 31 2HB HIS 31 -3.780 0.764 6.879 206 HD1 HIS 31 HD1 HIS 31 -0.918 -0.228 9.163 207 HD2 HIS 31 HD2 HIS 31 -2.049 -0.459 5.172 208 HE1 HIS 31 HE1 HIS 31 0.827 -1.658 8.051 209 H GLN 32 H GLN 32 -2.819 2.807 5.431 210 HA GLN 32 HA GLN 32 -0.331 2.416 4.434 211 HB2 GLN 32 1HB GLN 32 -2.342 4.554 3.759 212 HB3 GLN 32 2HB GLN 32 -0.851 4.356 2.847 213 HG2 GLN 32 1HG GLN 32 -2.570 1.971 3.248 214 HG3 GLN 32 2HG GLN 32 -3.104 3.206 2.109 215 HE21 GLN 32 1HE2 GLN 32 -2.367 0.521 1.495 216 HE22 GLN 32 2HE2 GLN 32 -1.003 0.591 0.438 217 H ARG 33 H ARG 33 -1.282 4.887 6.637 218 HA ARG 33 HA ARG 33 0.578 6.880 6.210 219 HB2 ARG 33 1HB ARG 33 -0.701 5.818 8.713 220 HB3 ARG 33 2HB ARG 33 0.468 7.129 8.787 221 HG2 ARG 33 1HG ARG 33 -0.938 8.461 7.287 222 HG3 ARG 33 2HG ARG 33 -2.116 7.148 7.243 223 HD2 ARG 33 1HD ARG 33 -2.515 7.369 9.612 224 HD3 ARG 33 2HD ARG 33 -1.238 8.577 9.748 225 HE ARG 33 HE ARG 33 -3.340 9.281 7.909 226 HH11 ARG 33 1HH1 ARG 33 -2.248 9.384 11.213 227 HH12 ARG 33 2HH1 ARG 33 -3.223 10.754 11.630 228 HH21 ARG 33 1HH2 ARG 33 -4.629 11.085 8.445 229 HH22 ARG 33 2HH2 ARG 33 -4.578 11.720 10.055 230 H VAL 34 H VAL 34 0.973 3.822 7.937 231 HA VAL 34 HA VAL 34 3.502 4.249 9.026 232 HB VAL 34 HB VAL 34 3.727 1.863 9.199 233 HG11 VAL 34 1HG1 VAL 34 2.212 2.643 10.797 234 HG12 VAL 34 2HG1 VAL 34 0.949 2.925 9.597 235 HG13 VAL 34 3HG1 VAL 34 1.381 1.277 10.055 236 HG21 VAL 34 3HG2 VAL 34 2.151 0.332 8.065 237 HG22 VAL 34 1HG2 VAL 34 1.492 1.708 7.179 238 HG23 VAL 34 2HG2 VAL 34 3.170 1.222 6.935 239 H HIS 35 H HIS 35 2.575 3.924 5.766 240 HA HIS 35 HA HIS 35 5.353 3.364 4.962 241 HB2 HIS 35 1HB HIS 35 2.917 3.131 3.196 242 HB3 HIS 35 2HB HIS 35 4.532 2.493 2.900 243 HD1 HIS 35 HD1 HIS 35 5.244 0.693 4.980 244 HD2 HIS 35 HD2 HIS 35 1.238 1.187 3.996 245 HE1 HIS 35 HE1 HIS 35 4.080 -1.358 5.852 246 H THR 36 H THR 36 2.637 5.542 4.612 247 HA THR 36 HA THR 36 3.224 7.116 2.502 248 HB THR 36 HB THR 36 2.410 9.085 3.827 249 HG1 THR 36 HG1 THR 36 3.181 8.549 5.876 250 HG21 THR 36 3HG2 THR 36 0.161 8.171 4.218 251 HG22 THR 36 1HG2 THR 36 0.808 6.536 4.083 252 HG23 THR 36 2HG2 THR 36 0.834 7.613 2.687 253 H GLY 37 H GLY 37 4.728 7.458 5.716 254 HA2 GLY 37 1HA GLY 37 6.760 8.330 6.337 255 HA3 GLY 37 2HA GLY 37 7.266 8.121 4.667 256 H GLU 38 H GLU 38 6.281 10.336 7.076 257 HA GLU 38 HA GLU 38 5.600 12.506 5.349 258 HB2 GLU 38 1HB GLU 38 4.843 12.301 7.721 259 HB3 GLU 38 2HB GLU 38 6.494 12.619 8.233 260 HG2 GLU 38 1HG GLU 38 5.515 14.690 8.420 261 HG3 GLU 38 2HG GLU 38 6.261 14.774 6.825 262 H LYS 39 H LYS 39 6.815 14.425 4.988 263 HA LYS 39 HA LYS 39 9.686 14.294 5.514 264 HB2 LYS 39 1HB LYS 39 10.222 14.839 3.172 265 HB3 LYS 39 2HB LYS 39 9.444 13.269 3.320 266 HG2 LYS 39 1HG LYS 39 7.270 14.514 2.775 267 HG3 LYS 39 2HG LYS 39 8.322 15.826 2.239 268 HD2 LYS 39 1HD LYS 39 9.480 14.158 0.759 269 HD3 LYS 39 2HD LYS 39 8.210 13.006 1.180 270 HE2 LYS 39 1HE LYS 39 6.531 14.394 0.199 271 HE3 LYS 39 2HE LYS 39 7.674 15.719 -0.017 272 HZ1 LYS 39 3HZ LYS 39 8.381 14.863 -1.928 273 HZ2 LYS 39 1HZ LYS 39 7.044 13.828 -1.873 274 HZ3 LYS 39 2HZ LYS 39 8.542 13.307 -1.286 275 HA PRO 40 HA PRO 40 9.284 18.606 6.239 276 HB2 PRO 40 1HB PRO 40 11.766 19.477 5.567 277 HB3 PRO 40 2HB PRO 40 11.438 18.549 7.035 278 HG2 PRO 40 1HG PRO 40 12.524 17.615 4.406 279 HG3 PRO 40 2HG PRO 40 13.046 17.190 6.047 280 HD2 PRO 40 1HD PRO 40 11.467 15.573 4.557 281 HD3 PRO 40 2HD PRO 40 11.348 15.657 6.326 282 H SER 41 H SER 41 9.460 17.335 3.188 283 HA SER 41 HA SER 41 10.073 19.461 1.508 284 HB2 SER 41 1HB SER 41 9.572 17.025 0.890 285 HB3 SER 41 2HB SER 41 7.870 17.485 0.919 286 HG SER 41 HG SER 41 9.492 17.737 -1.085 287 H GLY 42 H GLY 42 8.476 20.661 0.110 288 HA2 GLY 42 1HA GLY 42 6.515 21.900 -0.170 289 HA3 GLY 42 2HA GLY 42 5.927 21.273 1.362 290 HA PRO 43 HA PRO 43 8.870 25.038 2.265 291 HB2 PRO 43 1HB PRO 43 9.223 26.727 0.169 292 HB3 PRO 43 2HB PRO 43 10.314 25.379 0.510 293 HG2 PRO 43 1HG PRO 43 8.075 25.549 -1.470 294 HG3 PRO 43 2HG PRO 43 9.696 24.858 -1.670 295 HD2 PRO 43 1HD PRO 43 7.509 23.331 -1.203 296 HD3 PRO 43 2HD PRO 43 9.125 22.890 -0.614 297 H SER 44 H SER 44 6.088 25.134 0.171 298 HA SER 44 HA SER 44 5.043 27.397 1.730 299 HB2 SER 44 1HB SER 44 5.688 28.301 -0.427 300 HB3 SER 44 2HB SER 44 4.815 27.018 -1.265 301 HG SER 44 HG SER 44 2.910 27.890 -0.092 302 H SER 45 H SER 45 3.915 25.859 2.998 303 HA SER 45 HA SER 45 2.257 24.366 3.528 304 HB2 SER 45 1HB SER 45 1.004 26.460 3.261 305 HB3 SER 45 2HB SER 45 0.790 26.123 1.544 306 HG SER 45 HG SER 45 -0.297 24.737 3.756 307 H GLY 46 H GLY 46 3.957 23.288 1.602 308 HA2 GLY 46 1HA GLY 46 4.013 21.391 0.293 309 HA3 GLY 46 2HA GLY 46 2.276 21.248 0.514 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -3.071 -33.452 -6.262 2 HA2 GLY 1 1HA GLY 1 -3.702 -35.638 -4.458 3 HA3 GLY 1 2HA GLY 1 -2.108 -34.930 -4.242 4 H SER 2 H SER 2 -3.001 -34.486 -2.066 5 HA SER 2 HA SER 2 -4.977 -32.365 -1.906 6 HB2 SER 2 1HB SER 2 -3.425 -33.812 0.254 7 HB3 SER 2 2HB SER 2 -4.693 -32.622 0.550 8 HG SER 2 HG SER 2 -5.800 -34.464 0.583 9 H SER 3 H SER 3 -4.037 -30.538 -2.746 10 HA SER 3 HA SER 3 -1.444 -29.667 -1.763 11 HB2 SER 3 1HB SER 3 -2.041 -29.412 -4.165 12 HB3 SER 3 2HB SER 3 -3.320 -28.291 -3.701 13 HG SER 3 HG SER 3 -0.523 -27.971 -3.472 14 H GLY 4 H GLY 4 -4.670 -28.153 -2.032 15 HA2 GLY 4 1HA GLY 4 -5.129 -27.426 0.538 16 HA3 GLY 4 2HA GLY 4 -3.994 -26.203 -0.013 17 H SER 5 H SER 5 -7.196 -26.903 0.348 18 HA SER 5 HA SER 5 -7.970 -25.020 -1.784 19 HB2 SER 5 1HB SER 5 -10.147 -26.107 -1.859 20 HB3 SER 5 2HB SER 5 -8.881 -27.313 -2.091 21 HG SER 5 HG SER 5 -10.658 -26.978 0.009 22 H SER 6 H SER 6 -8.174 -23.082 -0.855 23 HA SER 6 HA SER 6 -9.130 -22.805 1.861 24 HB2 SER 6 1HB SER 6 -8.123 -20.878 -0.221 25 HB3 SER 6 2HB SER 6 -8.890 -20.299 1.258 26 HG SER 6 HG SER 6 -6.405 -21.398 0.879 27 H GLY 7 H GLY 7 -10.935 -21.439 2.444 28 HA2 GLY 7 1HA GLY 7 -12.986 -21.220 0.335 29 HA3 GLY 7 2HA GLY 7 -13.369 -21.952 1.886 30 H THR 8 H THR 8 -12.432 -20.394 3.762 31 HA THR 8 HA THR 8 -14.165 -18.325 4.070 32 HB THR 8 HB THR 8 -11.326 -18.337 5.113 33 HG1 THR 8 HG1 THR 8 -13.713 -19.594 5.973 34 HG21 THR 8 3HG2 THR 8 -13.798 -16.809 5.877 35 HG22 THR 8 1HG2 THR 8 -12.181 -16.193 5.538 36 HG23 THR 8 2HG2 THR 8 -12.490 -17.085 7.028 37 H GLY 9 H GLY 9 -10.823 -17.994 2.860 38 HA2 GLY 9 1HA GLY 9 -10.102 -16.569 1.148 39 HA3 GLY 9 2HA GLY 9 -11.674 -15.784 1.169 40 H GLU 10 H GLU 10 -11.319 -13.691 1.530 41 HA GLU 10 HA GLU 10 -10.331 -12.805 4.041 42 HB2 GLU 10 1HB GLU 10 -8.344 -11.637 3.349 43 HB3 GLU 10 2HB GLU 10 -8.183 -13.328 2.898 44 HG2 GLU 10 1HG GLU 10 -8.958 -12.671 0.595 45 HG3 GLU 10 2HG GLU 10 -8.781 -10.993 1.108 46 H LYS 11 H LYS 11 -10.019 -10.298 3.950 47 HA LYS 11 HA LYS 11 -12.447 -9.234 2.856 48 HB2 LYS 11 1HB LYS 11 -10.159 -7.939 4.346 49 HB3 LYS 11 2HB LYS 11 -11.615 -7.082 3.856 50 HG2 LYS 11 1HG LYS 11 -11.660 -9.523 5.609 51 HG3 LYS 11 2HG LYS 11 -11.558 -7.876 6.237 52 HD2 LYS 11 1HD LYS 11 -13.681 -7.310 5.358 53 HD3 LYS 11 2HD LYS 11 -13.738 -8.767 4.363 54 HE2 LYS 11 1HE LYS 11 -15.085 -9.431 6.079 55 HE3 LYS 11 2HE LYS 11 -13.526 -9.948 6.719 56 HZ1 LYS 11 3HZ LYS 11 -14.423 -7.233 7.334 57 HZ2 LYS 11 1HZ LYS 11 -13.511 -8.307 8.270 58 HZ3 LYS 11 2HZ LYS 11 -15.184 -8.512 8.138 59 HA PRO 12 HA PRO 12 -10.988 -7.643 -0.970 60 HB2 PRO 12 1HB PRO 12 -12.578 -5.459 -1.240 61 HB3 PRO 12 2HB PRO 12 -13.175 -7.112 -1.434 62 HG2 PRO 12 1HG PRO 12 -13.373 -5.292 0.935 63 HG3 PRO 12 2HG PRO 12 -14.606 -6.357 0.236 64 HD2 PRO 12 1HD PRO 12 -13.181 -7.028 2.438 65 HD3 PRO 12 2HD PRO 12 -13.750 -8.233 1.265 66 H TYR 13 H TYR 13 -10.494 -6.058 1.949 67 HA TYR 13 HA TYR 13 -8.877 -3.964 0.651 68 HB2 TYR 13 1HB TYR 13 -9.907 -3.884 3.486 69 HB3 TYR 13 2HB TYR 13 -9.212 -2.564 2.553 70 HD1 TYR 13 HD2 TYR 13 -10.534 -2.050 0.288 71 HD2 TYR 13 HD1 TYR 13 -12.200 -3.937 3.719 72 HE1 TYR 13 HE2 TYR 13 -12.784 -1.374 -0.440 73 HE2 TYR 13 HE1 TYR 13 -14.454 -3.268 2.999 74 HH TYR 13 HH TYR 13 -15.653 -2.141 1.507 75 H GLU 14 H GLU 14 -6.792 -4.457 0.656 76 HA GLU 14 HA GLU 14 -5.580 -5.461 3.122 77 HB2 GLU 14 1HB GLU 14 -6.132 -7.292 1.303 78 HB3 GLU 14 2HB GLU 14 -4.677 -6.666 0.541 79 HG2 GLU 14 1HG GLU 14 -3.611 -7.014 2.879 80 HG3 GLU 14 2HG GLU 14 -4.984 -8.086 3.147 81 H CYS 15 H CYS 15 -3.356 -4.992 3.339 82 HA CYS 15 HA CYS 15 -2.535 -2.649 1.831 83 HB2 CYS 15 1HB CYS 15 -2.364 -2.981 4.399 84 HB3 CYS 15 2HB CYS 15 -0.930 -3.933 4.025 85 H LYS 16 H LYS 16 -1.994 -3.495 -0.186 86 HA LYS 16 HA LYS 16 -0.412 -5.716 -0.708 87 HB2 LYS 16 1HB LYS 16 -1.642 -4.580 -2.464 88 HB3 LYS 16 2HB LYS 16 -0.660 -3.136 -2.263 89 HG2 LYS 16 1HG LYS 16 1.233 -4.159 -3.197 90 HG3 LYS 16 2HG LYS 16 0.538 -5.774 -3.042 91 HD2 LYS 16 1HD LYS 16 0.408 -5.146 -5.342 92 HD3 LYS 16 2HD LYS 16 -1.226 -5.080 -4.678 93 HE2 LYS 16 1HE LYS 16 0.468 -2.620 -4.691 94 HE3 LYS 16 2HE LYS 16 -0.325 -3.136 -6.178 95 HZ1 LYS 16 3HZ LYS 16 -2.017 -3.086 -3.827 96 HZ2 LYS 16 1HZ LYS 16 -2.336 -2.562 -5.404 97 HZ3 LYS 16 2HZ LYS 16 -1.468 -1.572 -4.343 98 H GLU 17 H GLU 17 0.466 -2.755 0.711 99 HA GLU 17 HA GLU 17 3.193 -2.668 -0.122 100 HB2 GLU 17 1HB GLU 17 1.878 -1.417 2.297 101 HB3 GLU 17 2HB GLU 17 3.468 -1.010 1.669 102 HG2 GLU 17 1HG GLU 17 1.108 -0.786 -0.129 103 HG3 GLU 17 2HG GLU 17 1.378 0.452 1.097 104 H CYS 18 H CYS 18 1.623 -3.656 2.921 105 HA CYS 18 HA CYS 18 4.066 -5.158 3.593 106 HB2 CYS 18 1HB CYS 18 3.354 -5.001 5.939 107 HB3 CYS 18 2HB CYS 18 3.527 -3.405 5.215 108 H GLY 19 H GLY 19 0.521 -5.280 3.666 109 HA2 GLY 19 1HA GLY 19 -0.502 -7.341 2.797 110 HA3 GLY 19 2HA GLY 19 0.736 -8.228 3.675 111 H LYS 20 H LYS 20 -1.718 -5.735 4.382 112 HA LYS 20 HA LYS 20 -2.597 -7.389 6.651 113 HB2 LYS 20 1HB LYS 20 -1.154 -5.349 7.267 114 HB3 LYS 20 2HB LYS 20 -2.539 -4.382 6.777 115 HG2 LYS 20 1HG LYS 20 -3.816 -5.053 8.554 116 HG3 LYS 20 2HG LYS 20 -2.953 -6.582 8.736 117 HD2 LYS 20 1HD LYS 20 -0.942 -5.113 9.405 118 HD3 LYS 20 2HD LYS 20 -2.141 -3.838 9.634 119 HE2 LYS 20 1HE LYS 20 -1.819 -4.876 11.746 120 HE3 LYS 20 2HE LYS 20 -3.384 -5.417 11.140 121 HZ1 LYS 20 3HZ LYS 20 -2.487 -7.385 11.814 122 HZ2 LYS 20 1HZ LYS 20 -0.895 -6.928 11.468 123 HZ3 LYS 20 2HZ LYS 20 -1.939 -7.372 10.213 124 H ALA 21 H ALA 21 -4.694 -7.839 6.585 125 HA ALA 21 HA ALA 21 -6.401 -6.360 4.731 126 HB1 ALA 21 3HB ALA 21 -6.969 -8.915 6.229 127 HB2 ALA 21 1HB ALA 21 -7.955 -8.205 4.949 128 HB3 ALA 21 2HB ALA 21 -6.340 -8.814 4.585 129 H PHE 22 H PHE 22 -8.145 -5.177 5.333 130 HA PHE 22 HA PHE 22 -8.766 -5.039 8.208 131 HB2 PHE 22 1HB PHE 22 -8.630 -2.714 6.276 132 HB3 PHE 22 2HB PHE 22 -9.129 -2.614 7.961 133 HD1 PHE 22 HD1 PHE 22 -6.293 -3.175 5.696 134 HD2 PHE 22 HD2 PHE 22 -7.530 -2.621 9.731 135 HE1 PHE 22 HE1 PHE 22 -3.951 -2.820 6.362 136 HE2 PHE 22 HE2 PHE 22 -5.191 -2.264 10.403 137 HZ PHE 22 HZ PHE 22 -3.398 -2.363 8.718 138 H SER 23 H SER 23 -10.904 -4.811 8.770 139 HA SER 23 HA SER 23 -12.853 -5.914 7.158 140 HB2 SER 23 1HB SER 23 -13.024 -5.619 9.628 141 HB3 SER 23 2HB SER 23 -13.331 -3.902 9.369 142 HG SER 23 HG SER 23 -15.268 -4.360 8.504 143 H GLN 24 H GLN 24 -12.168 -2.475 7.717 144 HA GLN 24 HA GLN 24 -13.889 -1.838 5.413 145 HB2 GLN 24 1HB GLN 24 -13.288 -0.367 7.948 146 HB3 GLN 24 2HB GLN 24 -13.712 0.545 6.505 147 HG2 GLN 24 1HG GLN 24 -15.712 -1.183 6.445 148 HG3 GLN 24 2HG GLN 24 -15.372 -1.257 8.173 149 HE21 GLN 24 1HE2 GLN 24 -14.477 1.479 8.347 150 HE22 GLN 24 2HE2 GLN 24 -15.886 2.471 8.226 151 H THR 25 H THR 25 -13.192 -0.009 4.076 152 HA THR 25 HA THR 25 -10.485 -0.306 3.267 153 HB THR 25 HB THR 25 -12.238 0.243 1.650 154 HG1 THR 25 HG1 THR 25 -9.990 1.867 1.999 155 HG21 THR 25 3HG2 THR 25 -13.467 1.773 3.281 156 HG22 THR 25 1HG2 THR 25 -13.388 2.301 1.601 157 HG23 THR 25 2HG2 THR 25 -12.317 3.021 2.803 158 H THR 26 H THR 26 -12.230 2.146 5.105 159 HA THR 26 HA THR 26 -10.264 4.129 5.173 160 HB THR 26 HB THR 26 -11.345 4.731 7.431 161 HG1 THR 26 HG1 THR 26 -12.197 2.434 7.544 162 HG21 THR 26 3HG2 THR 26 -13.657 4.980 5.953 163 HG22 THR 26 1HG2 THR 26 -12.407 4.846 4.717 164 HG23 THR 26 2HG2 THR 26 -12.302 6.108 5.944 165 H HIS 27 H HIS 27 -10.638 1.197 7.062 166 HA HIS 27 HA HIS 27 -8.687 1.833 9.031 167 HB2 HIS 27 1HB HIS 27 -10.148 -0.629 8.191 168 HB3 HIS 27 2HB HIS 27 -8.706 -0.817 9.184 169 HD1 HIS 27 HD1 HIS 27 -8.852 -0.091 11.635 170 HD2 HIS 27 HD2 HIS 27 -12.337 0.600 9.481 171 HE1 HIS 27 HE1 HIS 27 -10.603 0.470 13.351 172 H LEU 28 H LEU 28 -8.516 0.711 5.788 173 HA LEU 28 HA LEU 28 -5.829 -0.354 6.070 174 HB2 LEU 28 1HB LEU 28 -7.145 -1.560 4.551 175 HB3 LEU 28 2HB LEU 28 -7.757 -0.094 3.787 176 HG LEU 28 HG LEU 28 -5.653 0.275 2.683 177 HD11 LEU 28 1HD1 LEU 28 -4.585 -2.253 3.901 178 HD12 LEU 28 2HD1 LEU 28 -4.309 -0.670 4.627 179 HD13 LEU 28 3HD1 LEU 28 -3.717 -1.009 3.000 180 HD21 LEU 28 3HD2 LEU 28 -6.122 -1.185 1.060 181 HD22 LEU 28 1HD2 LEU 28 -7.376 -1.799 2.138 182 HD23 LEU 28 2HD2 LEU 28 -5.792 -2.574 2.097 183 H ILE 29 H ILE 29 -7.442 2.397 4.522 184 HA ILE 29 HA ILE 29 -5.159 3.531 3.343 185 HB ILE 29 HB ILE 29 -7.629 4.959 4.334 186 HG12 ILE 29 1HG1 ILE 29 -7.104 4.121 1.497 187 HG13 ILE 29 2HG1 ILE 29 -7.836 2.999 2.639 188 HG21 ILE 29 1HG2 ILE 29 -7.045 6.727 2.830 189 HG22 ILE 29 2HG2 ILE 29 -5.653 6.400 3.860 190 HG23 ILE 29 3HG2 ILE 29 -5.679 5.807 2.200 191 HD11 ILE 29 3HD1 ILE 29 -9.442 5.069 3.045 192 HD12 ILE 29 1HD1 ILE 29 -8.946 5.440 1.394 193 HD13 ILE 29 2HD1 ILE 29 -9.716 3.896 1.758 194 H GLN 30 H GLN 30 -6.571 3.893 6.553 195 HA GLN 30 HA GLN 30 -5.037 6.056 7.446 196 HB2 GLN 30 1HB GLN 30 -5.588 5.294 9.708 197 HB3 GLN 30 2HB GLN 30 -6.996 5.236 8.657 198 HG2 GLN 30 1HG GLN 30 -6.602 2.807 8.350 199 HG3 GLN 30 2HG GLN 30 -5.298 2.913 9.532 200 HE21 GLN 30 1HE2 GLN 30 -6.249 1.566 11.012 201 HE22 GLN 30 2HE2 GLN 30 -7.665 1.992 11.904 202 H HIS 31 H HIS 31 -4.468 2.563 7.859 203 HA HIS 31 HA HIS 31 -2.014 2.784 9.191 204 HB2 HIS 31 1HB HIS 31 -2.928 0.660 9.326 205 HB3 HIS 31 2HB HIS 31 -3.359 0.623 7.619 206 HD1 HIS 31 HD1 HIS 31 -0.580 -0.128 9.976 207 HD2 HIS 31 HD2 HIS 31 -1.285 -0.180 5.882 208 HE1 HIS 31 HE1 HIS 31 1.334 -1.420 8.980 209 H GLN 32 H GLN 32 -2.790 2.642 5.752 210 HA GLN 32 HA GLN 32 -0.326 2.252 4.624 211 HB2 GLN 32 1HB GLN 32 -2.669 3.927 3.783 212 HB3 GLN 32 2HB GLN 32 -1.202 3.906 2.814 213 HG2 GLN 32 1HG GLN 32 -1.405 1.572 2.412 214 HG3 GLN 32 2HG GLN 32 -2.710 1.425 3.588 215 HE21 GLN 32 1HE2 GLN 32 -3.345 0.380 1.326 216 HE22 GLN 32 2HE2 GLN 32 -4.360 1.394 0.364 217 H ARG 33 H ARG 33 -1.365 4.927 6.498 218 HA ARG 33 HA ARG 33 0.256 6.982 5.539 219 HB2 ARG 33 1HB ARG 33 -0.915 6.349 8.224 220 HB3 ARG 33 2HB ARG 33 0.202 7.697 8.056 221 HG2 ARG 33 1HG ARG 33 -1.256 8.711 6.387 222 HG3 ARG 33 2HG ARG 33 -2.370 7.350 6.529 223 HD2 ARG 33 1HD ARG 33 -3.344 8.927 7.911 224 HD3 ARG 33 2HD ARG 33 -2.400 7.966 9.048 225 HE ARG 33 HE ARG 33 -0.780 10.056 8.205 226 HH11 ARG 33 1HH1 ARG 33 -3.765 9.626 9.945 227 HH12 ARG 33 2HH1 ARG 33 -3.566 11.057 10.900 228 HH21 ARG 33 1HH2 ARG 33 -0.507 11.943 9.457 229 HH22 ARG 33 2HH2 ARG 33 -1.713 12.375 10.621 230 H VAL 34 H VAL 34 0.982 4.329 7.739 231 HA VAL 34 HA VAL 34 3.530 5.235 8.559 232 HB VAL 34 HB VAL 34 3.937 2.956 9.310 233 HG11 VAL 34 1HG1 VAL 34 2.709 3.728 11.011 234 HG12 VAL 34 2HG1 VAL 34 1.510 4.448 9.935 235 HG13 VAL 34 3HG1 VAL 34 1.408 2.737 10.352 236 HG21 VAL 34 3HG2 VAL 34 3.043 1.162 8.341 237 HG22 VAL 34 1HG2 VAL 34 1.408 1.778 8.582 238 HG23 VAL 34 2HG2 VAL 34 2.322 2.243 7.148 239 H HIS 35 H HIS 35 2.433 4.075 5.584 240 HA HIS 35 HA HIS 35 5.045 3.052 4.771 241 HB2 HIS 35 1HB HIS 35 2.327 3.061 3.472 242 HB3 HIS 35 2HB HIS 35 3.780 2.631 2.575 243 HD1 HIS 35 HD1 HIS 35 5.257 0.777 4.327 244 HD2 HIS 35 HD2 HIS 35 1.106 0.757 4.149 245 HE1 HIS 35 HE1 HIS 35 4.560 -1.504 5.124 246 H THR 36 H THR 36 3.031 5.847 4.463 247 HA THR 36 HA THR 36 5.034 7.057 2.672 248 HB THR 36 HB THR 36 2.949 6.695 1.435 249 HG1 THR 36 HG1 THR 36 3.830 8.501 0.664 250 HG21 THR 36 3HG2 THR 36 1.732 7.408 3.866 251 HG22 THR 36 1HG2 THR 36 0.938 6.991 2.348 252 HG23 THR 36 2HG2 THR 36 1.309 8.676 2.716 253 H GLY 37 H GLY 37 6.116 7.856 4.552 254 HA2 GLY 37 1HA GLY 37 5.154 10.439 5.363 255 HA3 GLY 37 2HA GLY 37 5.109 9.261 6.667 256 H GLU 38 H GLU 38 7.067 8.386 7.456 257 HA GLU 38 HA GLU 38 9.420 10.031 6.794 258 HB2 GLU 38 1HB GLU 38 8.371 8.935 9.359 259 HB3 GLU 38 2HB GLU 38 10.114 9.066 9.173 260 HG2 GLU 38 1HG GLU 38 9.829 11.463 8.624 261 HG3 GLU 38 2HG GLU 38 8.108 11.297 8.964 262 H LYS 39 H LYS 39 9.558 8.338 5.013 263 HA LYS 39 HA LYS 39 11.424 6.281 5.899 264 HB2 LYS 39 1HB LYS 39 9.684 4.800 5.843 265 HB3 LYS 39 2HB LYS 39 8.758 5.763 4.700 266 HG2 LYS 39 1HG LYS 39 9.979 4.940 2.861 267 HG3 LYS 39 2HG LYS 39 11.226 4.250 3.903 268 HD2 LYS 39 1HD LYS 39 8.358 3.344 3.988 269 HD3 LYS 39 2HD LYS 39 9.551 2.623 2.905 270 HE2 LYS 39 1HE LYS 39 10.972 2.270 5.000 271 HE3 LYS 39 2HE LYS 39 9.504 2.628 5.909 272 HZ1 LYS 39 3HZ LYS 39 9.931 0.220 5.483 273 HZ2 LYS 39 1HZ LYS 39 9.656 0.510 3.840 274 HZ3 LYS 39 2HZ LYS 39 8.418 0.768 4.963 275 HA PRO 40 HA PRO 40 13.553 7.702 2.306 276 HB2 PRO 40 1HB PRO 40 15.351 5.678 2.096 277 HB3 PRO 40 2HB PRO 40 15.463 6.939 3.330 278 HG2 PRO 40 1HG PRO 40 14.386 4.155 3.558 279 HG3 PRO 40 2HG PRO 40 15.425 5.048 4.684 280 HD2 PRO 40 1HD PRO 40 12.758 4.778 5.065 281 HD3 PRO 40 2HD PRO 40 13.655 6.218 5.586 282 H SER 41 H SER 41 12.005 7.522 0.678 283 HA SER 41 HA SER 41 12.091 4.997 -0.835 284 HB2 SER 41 1HB SER 41 9.915 5.138 0.238 285 HB3 SER 41 2HB SER 41 9.684 6.775 -0.374 286 HG SER 41 HG SER 41 9.534 4.329 -1.711 287 H GLY 42 H GLY 42 13.897 6.887 -1.438 288 HA2 GLY 42 1HA GLY 42 14.689 7.759 -3.454 289 HA3 GLY 42 2HA GLY 42 13.056 7.688 -4.100 290 HA PRO 43 HA PRO 43 14.350 12.063 -2.715 291 HB2 PRO 43 1HB PRO 43 14.860 13.128 -5.159 292 HB3 PRO 43 2HB PRO 43 16.105 12.360 -4.167 293 HG2 PRO 43 1HG PRO 43 14.560 11.236 -6.472 294 HG3 PRO 43 2HG PRO 43 16.288 11.087 -6.104 295 HD2 PRO 43 1HD PRO 43 14.508 9.120 -5.563 296 HD3 PRO 43 2HD PRO 43 15.943 9.411 -4.559 297 H SER 44 H SER 44 13.389 14.159 -3.825 298 HA SER 44 HA SER 44 11.391 15.273 -4.031 299 HB2 SER 44 1HB SER 44 10.422 15.044 -6.202 300 HB3 SER 44 2HB SER 44 12.143 14.707 -6.387 301 HG SER 44 HG SER 44 11.237 12.397 -5.929 302 H SER 45 H SER 45 11.112 13.388 -2.078 303 HA SER 45 HA SER 45 9.234 11.428 -2.223 304 HB2 SER 45 1HB SER 45 10.509 12.258 -0.167 305 HB3 SER 45 2HB SER 45 9.212 13.436 0.031 306 HG SER 45 HG SER 45 8.801 10.635 -0.142 307 H GLY 46 H GLY 46 8.560 14.895 -1.774 308 HA2 GLY 46 1HA GLY 46 6.743 16.080 -2.649 309 HA3 GLY 46 2HA GLY 46 6.008 14.556 -3.125 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -1.851 -19.861 -5.642 2 HA2 GLY 1 1HA GLY 1 -0.561 -21.765 -5.562 3 HA3 GLY 1 2HA GLY 1 -1.573 -22.172 -4.184 4 H SER 2 H SER 2 -3.782 -23.095 -4.827 5 HA SER 2 HA SER 2 -3.320 -25.097 -6.933 6 HB2 SER 2 1HB SER 2 -3.648 -25.901 -4.564 7 HB3 SER 2 2HB SER 2 -5.295 -25.277 -4.649 8 HG SER 2 HG SER 2 -4.187 -27.523 -5.811 9 H SER 3 H SER 3 -5.079 -25.715 -8.291 10 HA SER 3 HA SER 3 -6.729 -23.469 -9.043 11 HB2 SER 3 1HB SER 3 -5.574 -24.974 -10.701 12 HB3 SER 3 2HB SER 3 -6.711 -26.244 -10.247 13 HG SER 3 HG SER 3 -7.085 -24.451 -12.068 14 H GLY 4 H GLY 4 -8.552 -23.085 -7.968 15 HA2 GLY 4 1HA GLY 4 -10.813 -23.550 -7.495 16 HA3 GLY 4 2HA GLY 4 -10.470 -25.266 -7.653 17 H SER 5 H SER 5 -8.752 -22.897 -5.669 18 HA SER 5 HA SER 5 -8.726 -24.579 -3.403 19 HB2 SER 5 1HB SER 5 -7.710 -22.727 -2.237 20 HB3 SER 5 2HB SER 5 -7.068 -22.757 -3.879 21 HG SER 5 HG SER 5 -8.599 -20.859 -2.625 22 H SER 6 H SER 6 -9.924 -24.583 -1.536 23 HA SER 6 HA SER 6 -12.226 -22.768 -1.385 24 HB2 SER 6 1HB SER 6 -13.643 -24.709 -0.661 25 HB3 SER 6 2HB SER 6 -13.131 -24.786 -2.347 26 HG SER 6 HG SER 6 -11.321 -26.113 -1.443 27 H GLY 7 H GLY 7 -12.892 -22.230 0.678 28 HA2 GLY 7 1HA GLY 7 -12.858 -22.934 3.083 29 HA3 GLY 7 2HA GLY 7 -11.138 -23.204 2.848 30 H THR 8 H THR 8 -10.488 -21.747 4.411 31 HA THR 8 HA THR 8 -11.312 -19.295 5.088 32 HB THR 8 HB THR 8 -8.965 -18.620 5.495 33 HG1 THR 8 HG1 THR 8 -8.430 -20.972 3.983 34 HG21 THR 8 3HG2 THR 8 -9.849 -21.392 6.246 35 HG22 THR 8 1HG2 THR 8 -9.872 -19.924 7.223 36 HG23 THR 8 2HG2 THR 8 -8.338 -20.710 6.847 37 H GLY 9 H GLY 9 -11.973 -17.604 3.941 38 HA2 GLY 9 1HA GLY 9 -11.051 -17.177 1.236 39 HA3 GLY 9 2HA GLY 9 -12.254 -16.225 2.094 40 H GLU 10 H GLU 10 -11.298 -14.305 1.292 41 HA GLU 10 HA GLU 10 -9.124 -13.359 2.962 42 HB2 GLU 10 1HB GLU 10 -8.293 -14.396 0.670 43 HB3 GLU 10 2HB GLU 10 -8.795 -12.832 0.043 44 HG2 GLU 10 1HG GLU 10 -7.147 -11.704 1.131 45 HG3 GLU 10 2HG GLU 10 -7.068 -12.867 2.453 46 H LYS 11 H LYS 11 -9.638 -11.402 3.663 47 HA LYS 11 HA LYS 11 -11.903 -9.999 3.082 48 HB2 LYS 11 1HB LYS 11 -9.234 -9.160 4.146 49 HB3 LYS 11 2HB LYS 11 -10.448 -7.933 3.811 50 HG2 LYS 11 1HG LYS 11 -10.935 -8.344 5.986 51 HG3 LYS 11 2HG LYS 11 -11.966 -9.566 5.236 52 HD2 LYS 11 1HD LYS 11 -10.413 -11.292 5.699 53 HD3 LYS 11 2HD LYS 11 -9.147 -10.138 6.123 54 HE2 LYS 11 1HE LYS 11 -10.495 -9.424 8.063 55 HE3 LYS 11 2HE LYS 11 -11.698 -10.645 7.652 56 HZ1 LYS 11 3HZ LYS 11 -10.320 -11.557 9.321 57 HZ2 LYS 11 1HZ LYS 11 -8.901 -11.088 8.527 58 HZ3 LYS 11 2HZ LYS 11 -9.868 -12.314 7.877 59 HA PRO 12 HA PRO 12 -11.419 -8.254 -0.930 60 HB2 PRO 12 1HB PRO 12 -13.144 -6.169 -0.708 61 HB3 PRO 12 2HB PRO 12 -13.679 -7.847 -0.862 62 HG2 PRO 12 1HG PRO 12 -13.434 -6.155 1.596 63 HG3 PRO 12 2HG PRO 12 -14.734 -7.266 1.127 64 HD2 PRO 12 1HD PRO 12 -12.813 -7.942 2.912 65 HD3 PRO 12 2HD PRO 12 -13.568 -9.127 1.826 66 H TYR 13 H TYR 13 -10.316 -6.813 1.878 67 HA TYR 13 HA TYR 13 -8.965 -4.706 0.334 68 HB2 TYR 13 1HB TYR 13 -9.784 -4.277 3.195 69 HB3 TYR 13 2HB TYR 13 -9.316 -3.080 1.993 70 HD1 TYR 13 HD2 TYR 13 -10.909 -2.839 -0.057 71 HD2 TYR 13 HD1 TYR 13 -12.036 -4.642 3.629 72 HE1 TYR 13 HE2 TYR 13 -13.276 -2.447 -0.596 73 HE2 TYR 13 HE1 TYR 13 -14.406 -4.257 3.099 74 HH TYR 13 HH TYR 13 -15.823 -3.887 1.160 75 H GLU 14 H GLU 14 -6.826 -4.788 0.492 76 HA GLU 14 HA GLU 14 -5.547 -5.672 2.942 77 HB2 GLU 14 1HB GLU 14 -6.037 -7.673 1.317 78 HB3 GLU 14 2HB GLU 14 -4.663 -7.033 0.426 79 HG2 GLU 14 1HG GLU 14 -3.461 -7.117 2.720 80 HG3 GLU 14 2HG GLU 14 -4.751 -8.237 3.154 81 H CYS 15 H CYS 15 -3.445 -4.938 3.170 82 HA CYS 15 HA CYS 15 -2.736 -2.709 1.495 83 HB2 CYS 15 1HB CYS 15 -2.407 -2.583 3.915 84 HB3 CYS 15 2HB CYS 15 -1.299 -3.951 3.851 85 H LYS 16 H LYS 16 -1.734 -2.979 -0.379 86 HA LYS 16 HA LYS 16 -0.160 -5.345 -0.915 87 HB2 LYS 16 1HB LYS 16 -1.719 -4.249 -2.581 88 HB3 LYS 16 2HB LYS 16 -0.545 -2.945 -2.705 89 HG2 LYS 16 1HG LYS 16 1.065 -4.335 -3.686 90 HG3 LYS 16 2HG LYS 16 0.210 -5.804 -3.207 91 HD2 LYS 16 1HD LYS 16 -1.699 -4.873 -4.699 92 HD3 LYS 16 2HD LYS 16 -0.429 -3.868 -5.401 93 HE2 LYS 16 1HE LYS 16 0.875 -5.926 -5.859 94 HE3 LYS 16 2HE LYS 16 -0.483 -6.881 -5.266 95 HZ1 LYS 16 3HZ LYS 16 -1.568 -5.185 -7.125 96 HZ2 LYS 16 1HZ LYS 16 -1.244 -6.832 -7.335 97 HZ3 LYS 16 2HZ LYS 16 -0.106 -5.678 -7.819 98 H GLU 17 H GLU 17 0.897 -3.685 1.136 99 HA GLU 17 HA GLU 17 3.420 -2.857 -0.137 100 HB2 GLU 17 1HB GLU 17 2.362 -1.555 2.358 101 HB3 GLU 17 2HB GLU 17 3.617 -0.980 1.269 102 HG2 GLU 17 1HG GLU 17 0.872 -1.310 0.191 103 HG3 GLU 17 2HG GLU 17 1.192 0.048 1.268 104 H CYS 18 H CYS 18 1.835 -4.101 2.763 105 HA CYS 18 HA CYS 18 4.366 -5.417 3.486 106 HB2 CYS 18 1HB CYS 18 3.902 -5.038 5.850 107 HB3 CYS 18 2HB CYS 18 3.972 -3.502 4.993 108 H GLY 19 H GLY 19 0.840 -5.425 3.677 109 HA2 GLY 19 1HA GLY 19 -0.252 -7.543 3.071 110 HA3 GLY 19 2HA GLY 19 0.967 -8.354 4.043 111 H LYS 20 H LYS 20 -1.673 -5.990 4.275 112 HA LYS 20 HA LYS 20 -2.481 -7.239 6.793 113 HB2 LYS 20 1HB LYS 20 -1.012 -5.121 7.118 114 HB3 LYS 20 2HB LYS 20 -2.442 -4.243 6.589 115 HG2 LYS 20 1HG LYS 20 -3.669 -4.858 8.458 116 HG3 LYS 20 2HG LYS 20 -2.614 -6.227 8.821 117 HD2 LYS 20 1HD LYS 20 -0.795 -4.574 9.318 118 HD3 LYS 20 2HD LYS 20 -2.000 -3.294 9.160 119 HE2 LYS 20 1HE LYS 20 -3.301 -4.832 10.887 120 HE3 LYS 20 2HE LYS 20 -1.662 -5.347 11.282 121 HZ1 LYS 20 3HZ LYS 20 -2.556 -2.517 11.242 122 HZ2 LYS 20 1HZ LYS 20 -1.060 -3.102 11.774 123 HZ3 LYS 20 2HZ LYS 20 -2.466 -3.467 12.639 124 H ALA 21 H ALA 21 -4.617 -7.540 6.906 125 HA ALA 21 HA ALA 21 -6.283 -6.342 4.815 126 HB1 ALA 21 3HB ALA 21 -7.034 -8.579 6.684 127 HB2 ALA 21 1HB ALA 21 -7.829 -8.109 5.181 128 HB3 ALA 21 2HB ALA 21 -6.220 -8.831 5.140 129 H PHE 22 H PHE 22 -8.150 -5.201 5.255 130 HA PHE 22 HA PHE 22 -8.695 -4.567 8.073 131 HB2 PHE 22 1HB PHE 22 -8.559 -2.553 5.818 132 HB3 PHE 22 2HB PHE 22 -9.024 -2.204 7.480 133 HD1 PHE 22 HD1 PHE 22 -6.230 -3.229 5.305 134 HD2 PHE 22 HD2 PHE 22 -7.400 -1.868 9.165 135 HE1 PHE 22 HE1 PHE 22 -3.871 -2.812 5.869 136 HE2 PHE 22 HE2 PHE 22 -5.044 -1.448 9.735 137 HZ PHE 22 HZ PHE 22 -3.276 -1.919 8.086 138 H SER 23 H SER 23 -10.775 -4.721 8.610 139 HA SER 23 HA SER 23 -12.712 -5.736 6.892 140 HB2 SER 23 1HB SER 23 -12.827 -5.878 9.363 141 HB3 SER 23 2HB SER 23 -13.178 -4.151 9.430 142 HG SER 23 HG SER 23 -14.792 -5.714 7.787 143 H GLN 24 H GLN 24 -11.986 -2.406 7.784 144 HA GLN 24 HA GLN 24 -14.022 -1.494 5.863 145 HB2 GLN 24 1HB GLN 24 -12.823 -0.134 8.274 146 HB3 GLN 24 2HB GLN 24 -13.784 0.721 7.075 147 HG2 GLN 24 1HG GLN 24 -15.661 -0.818 7.543 148 HG3 GLN 24 2HG GLN 24 -14.693 -1.555 8.819 149 HE21 GLN 24 1HE2 GLN 24 -16.511 1.224 7.838 150 HE22 GLN 24 2HE2 GLN 24 -16.559 1.997 9.382 151 H THR 25 H THR 25 -13.493 0.115 4.361 152 HA THR 25 HA THR 25 -10.945 -0.066 3.206 153 HB THR 25 HB THR 25 -12.958 2.154 2.797 154 HG1 THR 25 HG1 THR 25 -14.115 0.684 1.825 155 HG21 THR 25 3HG2 THR 25 -10.366 1.800 1.774 156 HG22 THR 25 1HG2 THR 25 -11.589 2.945 1.226 157 HG23 THR 25 2HG2 THR 25 -11.468 1.356 0.471 158 H THR 26 H THR 26 -12.420 2.593 5.063 159 HA THR 26 HA THR 26 -10.318 4.385 5.012 160 HB THR 26 HB THR 26 -12.496 4.972 5.945 161 HG1 THR 26 HG1 THR 26 -10.133 5.346 7.385 162 HG21 THR 26 3HG2 THR 26 -12.898 2.807 7.104 163 HG22 THR 26 1HG2 THR 26 -13.218 4.213 8.118 164 HG23 THR 26 2HG2 THR 26 -11.730 3.290 8.334 165 H HIS 27 H HIS 27 -10.869 1.693 7.251 166 HA HIS 27 HA HIS 27 -8.745 2.170 8.996 167 HB2 HIS 27 1HB HIS 27 -10.365 -0.209 8.243 168 HB3 HIS 27 2HB HIS 27 -8.860 -0.499 9.110 169 HD1 HIS 27 HD1 HIS 27 -11.867 1.807 9.539 170 HD2 HIS 27 HD2 HIS 27 -9.249 -0.518 11.776 171 HE1 HIS 27 HE1 HIS 27 -12.648 2.017 11.920 172 H LEU 28 H LEU 28 -8.795 0.828 5.791 173 HA LEU 28 HA LEU 28 -6.155 -0.303 5.938 174 HB2 LEU 28 1HB LEU 28 -7.600 -1.364 4.427 175 HB3 LEU 28 2HB LEU 28 -8.120 0.165 3.721 176 HG LEU 28 HG LEU 28 -5.953 0.412 2.632 177 HD11 LEU 28 1HD1 LEU 28 -4.296 -1.353 2.697 178 HD12 LEU 28 2HD1 LEU 28 -5.297 -2.283 3.812 179 HD13 LEU 28 3HD1 LEU 28 -4.602 -0.746 4.324 180 HD21 LEU 28 3HD2 LEU 28 -7.066 -0.628 1.006 181 HD22 LEU 28 1HD2 LEU 28 -7.821 -1.752 2.137 182 HD23 LEU 28 2HD2 LEU 28 -6.214 -2.094 1.495 183 H ILE 29 H ILE 29 -7.603 2.678 4.757 184 HA ILE 29 HA ILE 29 -5.292 3.671 3.449 185 HB ILE 29 HB ILE 29 -7.585 5.248 4.624 186 HG12 ILE 29 1HG1 ILE 29 -7.263 4.350 1.762 187 HG13 ILE 29 2HG1 ILE 29 -8.162 3.412 2.949 188 HG21 ILE 29 1HG2 ILE 29 -5.703 6.666 4.143 189 HG22 ILE 29 2HG2 ILE 29 -5.519 5.947 2.544 190 HG23 ILE 29 3HG2 ILE 29 -6.940 6.924 2.914 191 HD11 ILE 29 3HD1 ILE 29 -8.827 6.284 2.482 192 HD12 ILE 29 1HD1 ILE 29 -9.423 5.034 1.391 193 HD13 ILE 29 2HD1 ILE 29 -9.844 4.985 3.103 194 H GLN 30 H GLN 30 -6.592 4.082 6.714 195 HA GLN 30 HA GLN 30 -4.836 6.036 7.637 196 HB2 GLN 30 1HB GLN 30 -5.301 5.059 9.911 197 HB3 GLN 30 2HB GLN 30 -6.728 5.471 8.970 198 HG2 GLN 30 1HG GLN 30 -7.011 3.132 8.356 199 HG3 GLN 30 2HG GLN 30 -5.568 2.711 9.276 200 HE21 GLN 30 1HE2 GLN 30 -7.077 1.251 10.360 201 HE22 GLN 30 2HE2 GLN 30 -8.011 1.854 11.682 202 H HIS 31 H HIS 31 -4.516 2.499 7.717 203 HA HIS 31 HA HIS 31 -2.074 2.371 9.069 204 HB2 HIS 31 1HB HIS 31 -3.064 0.299 8.905 205 HB3 HIS 31 2HB HIS 31 -3.565 0.552 7.235 206 HD1 HIS 31 HD1 HIS 31 -0.481 -0.297 9.253 207 HD2 HIS 31 HD2 HIS 31 -1.891 -0.517 5.351 208 HE1 HIS 31 HE1 HIS 31 1.233 -1.638 7.993 209 H GLN 32 H GLN 32 -2.796 2.796 5.644 210 HA GLN 32 HA GLN 32 -0.318 2.412 4.513 211 HB2 GLN 32 1HB GLN 32 -2.375 4.509 3.804 212 HB3 GLN 32 2HB GLN 32 -1.023 4.045 2.779 213 HG2 GLN 32 1HG GLN 32 -2.892 1.932 3.718 214 HG3 GLN 32 2HG GLN 32 -3.415 3.025 2.437 215 HE21 GLN 32 1HE2 GLN 32 -3.391 0.626 1.586 216 HE22 GLN 32 2HE2 GLN 32 -1.984 0.219 0.671 217 H ARG 33 H ARG 33 -1.343 4.939 6.623 218 HA ARG 33 HA ARG 33 0.422 6.988 5.973 219 HB2 ARG 33 1HB ARG 33 -0.584 6.171 8.705 220 HB3 ARG 33 2HB ARG 33 0.169 7.714 8.323 221 HG2 ARG 33 1HG ARG 33 -2.342 6.735 6.992 222 HG3 ARG 33 2HG ARG 33 -2.336 7.725 8.453 223 HD2 ARG 33 1HD ARG 33 -2.499 9.377 6.894 224 HD3 ARG 33 2HD ARG 33 -0.743 9.239 6.977 225 HE ARG 33 HE ARG 33 -0.733 8.331 4.855 226 HH11 ARG 33 1HH1 ARG 33 -3.997 8.587 6.038 227 HH12 ARG 33 2HH1 ARG 33 -4.720 8.252 4.499 228 HH21 ARG 33 1HH2 ARG 33 -1.672 7.889 2.824 229 HH22 ARG 33 2HH2 ARG 33 -3.397 7.855 2.672 230 H VAL 34 H VAL 34 0.971 3.979 7.638 231 HA VAL 34 HA VAL 34 3.488 4.677 8.782 232 HB VAL 34 HB VAL 34 3.779 2.282 9.179 233 HG11 VAL 34 1HG1 VAL 34 1.780 3.910 10.216 234 HG12 VAL 34 2HG1 VAL 34 0.979 2.370 9.898 235 HG13 VAL 34 3HG1 VAL 34 2.410 2.426 10.928 236 HG21 VAL 34 3HG2 VAL 34 1.384 1.122 8.392 237 HG22 VAL 34 1HG2 VAL 34 1.882 2.085 7.001 238 HG23 VAL 34 2HG2 VAL 34 2.968 0.864 7.663 239 H HIS 35 H HIS 35 2.541 4.162 5.620 240 HA HIS 35 HA HIS 35 5.231 3.280 4.814 241 HB2 HIS 35 1HB HIS 35 2.595 3.134 3.339 242 HB3 HIS 35 2HB HIS 35 4.149 2.711 2.627 243 HD1 HIS 35 HD1 HIS 35 5.384 1.034 4.839 244 HD2 HIS 35 HD2 HIS 35 1.405 0.723 3.684 245 HE1 HIS 35 HE1 HIS 35 4.655 -1.265 5.552 246 H THR 36 H THR 36 3.037 5.897 4.799 247 HA THR 36 HA THR 36 4.030 7.253 2.491 248 HB THR 36 HB THR 36 2.729 9.132 3.186 249 HG1 THR 36 HG1 THR 36 2.150 7.948 5.683 250 HG21 THR 36 3HG2 THR 36 0.558 8.181 3.393 251 HG22 THR 36 1HG2 THR 36 1.196 6.722 4.151 252 HG23 THR 36 2HG2 THR 36 1.517 7.043 2.447 253 H GLY 37 H GLY 37 4.471 7.811 5.991 254 HA2 GLY 37 1HA GLY 37 7.016 8.104 6.419 255 HA3 GLY 37 2HA GLY 37 6.799 9.492 5.362 256 H GLU 38 H GLU 38 5.501 8.048 8.344 257 HA GLU 38 HA GLU 38 4.738 10.712 9.277 258 HB2 GLU 38 1HB GLU 38 3.204 8.674 9.437 259 HB3 GLU 38 2HB GLU 38 4.271 8.105 10.714 260 HG2 GLU 38 1HG GLU 38 3.832 10.249 11.921 261 HG3 GLU 38 2HG GLU 38 2.612 10.611 10.701 262 H LYS 39 H LYS 39 7.318 10.816 9.202 263 HA LYS 39 HA LYS 39 8.219 10.314 11.962 264 HB2 LYS 39 1HB LYS 39 9.908 10.217 9.456 265 HB3 LYS 39 2HB LYS 39 10.496 9.996 11.099 266 HG2 LYS 39 1HG LYS 39 9.443 7.927 11.325 267 HG3 LYS 39 2HG LYS 39 8.373 8.220 9.953 268 HD2 LYS 39 1HD LYS 39 11.333 8.130 9.540 269 HD3 LYS 39 2HD LYS 39 10.421 6.626 9.693 270 HE2 LYS 39 1HE LYS 39 10.292 6.907 7.435 271 HE3 LYS 39 2HE LYS 39 8.864 7.821 7.916 272 HZ1 LYS 39 3HZ LYS 39 9.944 9.833 7.579 273 HZ2 LYS 39 1HZ LYS 39 10.483 8.892 6.280 274 HZ3 LYS 39 2HZ LYS 39 11.488 9.142 7.617 275 HA PRO 40 HA PRO 40 8.990 14.635 12.231 276 HB2 PRO 40 1HB PRO 40 10.924 14.639 14.136 277 HB3 PRO 40 2HB PRO 40 9.225 14.308 14.493 278 HG2 PRO 40 1HG PRO 40 11.490 12.388 14.113 279 HG3 PRO 40 2HG PRO 40 10.200 12.370 15.330 280 HD2 PRO 40 1HD PRO 40 10.141 10.804 13.122 281 HD3 PRO 40 2HD PRO 40 8.668 11.448 13.876 282 H SER 41 H SER 41 11.057 12.511 10.789 283 HA SER 41 HA SER 41 12.588 14.590 9.557 284 HB2 SER 41 1HB SER 41 13.986 12.672 11.433 285 HB3 SER 41 2HB SER 41 14.820 13.668 10.240 286 HG SER 41 HG SER 41 14.098 14.348 12.679 287 H GLY 42 H GLY 42 14.068 13.731 7.887 288 HA2 GLY 42 1HA GLY 42 14.766 11.526 6.838 289 HA3 GLY 42 2HA GLY 42 13.049 11.151 6.876 290 HA PRO 43 HA PRO 43 14.442 13.765 3.071 291 HB2 PRO 43 1HB PRO 43 15.226 11.827 1.339 292 HB3 PRO 43 2HB PRO 43 16.348 12.660 2.421 293 HG2 PRO 43 1HG PRO 43 15.057 9.978 2.732 294 HG3 PRO 43 2HG PRO 43 16.733 10.457 3.056 295 HD2 PRO 43 1HD PRO 43 14.889 10.189 5.021 296 HD3 PRO 43 2HD PRO 43 16.208 11.375 5.104 297 H SER 44 H SER 44 12.402 14.260 2.474 298 HA SER 44 HA SER 44 10.918 12.243 0.951 299 HB2 SER 44 1HB SER 44 9.960 13.731 3.366 300 HB3 SER 44 2HB SER 44 8.811 13.350 2.084 301 HG SER 44 HG SER 44 9.966 11.126 2.387 302 H SER 45 H SER 45 9.103 13.255 -0.307 303 HA SER 45 HA SER 45 10.046 15.247 -1.986 304 HB2 SER 45 1HB SER 45 7.339 14.084 -1.465 305 HB3 SER 45 2HB SER 45 7.466 15.514 -2.490 306 HG SER 45 HG SER 45 8.248 14.314 -4.023 307 H GLY 46 H GLY 46 7.409 15.622 0.396 308 HA2 GLY 46 1HA GLY 46 8.419 18.264 1.091 309 HA3 GLY 46 2HA GLY 46 6.838 18.223 0.324 Start of MODEL 18 1 H1 GLY 1 H GLY 1 8.330 -28.271 2.606 2 HA2 GLY 1 1HA GLY 1 6.907 -26.488 4.281 3 HA3 GLY 1 2HA GLY 1 6.580 -26.784 2.580 4 H SER 2 H SER 2 4.353 -26.760 2.813 5 HA SER 2 HA SER 2 2.265 -27.483 3.419 6 HB2 SER 2 1HB SER 2 3.727 -30.103 3.026 7 HB3 SER 2 2HB SER 2 1.974 -29.956 3.143 8 HG SER 2 HG SER 2 3.351 -29.780 0.978 9 H SER 3 H SER 3 3.698 -26.733 5.658 10 HA SER 3 HA SER 3 3.429 -28.817 7.660 11 HB2 SER 3 1HB SER 3 5.306 -27.067 7.582 12 HB3 SER 3 2HB SER 3 4.108 -25.926 8.192 13 HG SER 3 HG SER 3 5.045 -26.751 9.981 14 H GLY 4 H GLY 4 1.059 -28.956 7.192 15 HA2 GLY 4 1HA GLY 4 -1.108 -28.622 7.868 16 HA3 GLY 4 2HA GLY 4 -0.427 -27.826 9.279 17 H SER 5 H SER 5 -2.209 -27.423 6.445 18 HA SER 5 HA SER 5 -1.628 -24.703 5.877 19 HB2 SER 5 1HB SER 5 -2.777 -26.386 4.342 20 HB3 SER 5 2HB SER 5 -4.240 -26.098 5.283 21 HG SER 5 HG SER 5 -3.804 -23.788 4.772 22 H SER 6 H SER 6 -2.883 -22.845 6.321 23 HA SER 6 HA SER 6 -4.541 -23.079 8.747 24 HB2 SER 6 1HB SER 6 -2.668 -20.869 7.884 25 HB3 SER 6 2HB SER 6 -3.824 -20.699 9.205 26 HG SER 6 HG SER 6 -2.144 -22.921 9.250 27 H GLY 7 H GLY 7 -6.471 -21.985 8.841 28 HA2 GLY 7 1HA GLY 7 -7.314 -20.669 6.331 29 HA3 GLY 7 2HA GLY 7 -8.379 -21.688 7.288 30 H THR 8 H THR 8 -6.888 -18.565 6.996 31 HA THR 8 HA THR 8 -8.226 -17.607 9.416 32 HB THR 8 HB THR 8 -5.863 -16.963 9.062 33 HG1 THR 8 HG1 THR 8 -6.584 -15.345 10.220 34 HG21 THR 8 3HG2 THR 8 -5.104 -15.752 7.259 35 HG22 THR 8 1HG2 THR 8 -6.694 -15.077 6.905 36 HG23 THR 8 2HG2 THR 8 -6.331 -16.750 6.480 37 H GLY 9 H GLY 9 -8.171 -17.117 5.918 38 HA2 GLY 9 1HA GLY 9 -10.140 -16.590 4.689 39 HA3 GLY 9 2HA GLY 9 -10.809 -15.848 6.134 40 H GLU 10 H GLU 10 -9.193 -15.318 3.207 41 HA GLU 10 HA GLU 10 -7.827 -12.919 3.771 42 HB2 GLU 10 1HB GLU 10 -7.757 -12.580 1.381 43 HB3 GLU 10 2HB GLU 10 -7.480 -14.281 1.728 44 HG2 GLU 10 1HG GLU 10 -10.256 -13.403 1.152 45 HG3 GLU 10 2HG GLU 10 -9.111 -13.500 -0.185 46 H LYS 11 H LYS 11 -8.502 -10.824 2.550 47 HA LYS 11 HA LYS 11 -11.370 -10.311 2.923 48 HB2 LYS 11 1HB LYS 11 -9.072 -8.740 4.076 49 HB3 LYS 11 2HB LYS 11 -10.671 -8.039 3.866 50 HG2 LYS 11 1HG LYS 11 -10.162 -10.545 5.447 51 HG3 LYS 11 2HG LYS 11 -10.171 -8.927 6.154 52 HD2 LYS 11 1HD LYS 11 -12.489 -9.887 4.518 53 HD3 LYS 11 2HD LYS 11 -12.339 -10.348 6.215 54 HE2 LYS 11 1HE LYS 11 -12.199 -7.489 5.292 55 HE3 LYS 11 2HE LYS 11 -13.721 -8.278 5.707 56 HZ1 LYS 11 3HZ LYS 11 -11.882 -8.755 7.766 57 HZ2 LYS 11 1HZ LYS 11 -13.319 -7.863 7.828 58 HZ3 LYS 11 2HZ LYS 11 -11.864 -7.097 7.429 59 HA PRO 12 HA PRO 12 -11.191 -8.188 -0.915 60 HB2 PRO 12 1HB PRO 12 -13.036 -6.233 -0.541 61 HB3 PRO 12 2HB PRO 12 -13.468 -7.933 -0.752 62 HG2 PRO 12 1HG PRO 12 -13.242 -6.336 1.769 63 HG3 PRO 12 2HG PRO 12 -14.485 -7.509 1.295 64 HD2 PRO 12 1HD PRO 12 -12.460 -8.133 2.982 65 HD3 PRO 12 2HD PRO 12 -13.177 -9.317 1.870 66 H TYR 13 H TYR 13 -9.989 -6.860 1.873 67 HA TYR 13 HA TYR 13 -8.768 -4.656 0.386 68 HB2 TYR 13 1HB TYR 13 -9.853 -4.242 3.171 69 HB3 TYR 13 2HB TYR 13 -9.216 -3.028 2.068 70 HD1 TYR 13 HD2 TYR 13 -10.523 -2.729 -0.171 71 HD2 TYR 13 HD1 TYR 13 -12.147 -4.573 3.302 72 HE1 TYR 13 HE2 TYR 13 -12.794 -2.290 -1.007 73 HE2 TYR 13 HE1 TYR 13 -14.422 -4.140 2.475 74 HH TYR 13 HH TYR 13 -14.970 -2.398 -0.570 75 H GLU 14 H GLU 14 -6.666 -5.066 0.475 76 HA GLU 14 HA GLU 14 -5.452 -5.646 3.074 77 HB2 GLU 14 1HB GLU 14 -5.866 -7.752 1.597 78 HB3 GLU 14 2HB GLU 14 -4.513 -7.147 0.652 79 HG2 GLU 14 1HG GLU 14 -3.145 -7.143 2.728 80 HG3 GLU 14 2HG GLU 14 -4.493 -7.917 3.559 81 H CYS 15 H CYS 15 -3.624 -4.537 3.430 82 HA CYS 15 HA CYS 15 -2.816 -2.490 1.678 83 HB2 CYS 15 1HB CYS 15 -2.452 -2.252 4.046 84 HB3 CYS 15 2HB CYS 15 -1.449 -3.699 4.087 85 H LYS 16 H LYS 16 -1.678 -2.631 -0.126 86 HA LYS 16 HA LYS 16 -0.168 -5.023 -0.737 87 HB2 LYS 16 1HB LYS 16 -0.646 -2.507 -2.344 88 HB3 LYS 16 2HB LYS 16 0.175 -3.942 -2.944 89 HG2 LYS 16 1HG LYS 16 -2.615 -4.091 -1.866 90 HG3 LYS 16 2HG LYS 16 -2.295 -3.613 -3.535 91 HD2 LYS 16 1HD LYS 16 -1.288 -5.696 -4.036 92 HD3 LYS 16 2HD LYS 16 -1.199 -6.144 -2.331 93 HE2 LYS 16 1HE LYS 16 -3.031 -7.355 -2.963 94 HE3 LYS 16 2HE LYS 16 -3.814 -5.855 -2.469 95 HZ1 LYS 16 3HZ LYS 16 -3.565 -7.028 -5.102 96 HZ2 LYS 16 1HZ LYS 16 -3.289 -5.360 -5.044 97 HZ3 LYS 16 2HZ LYS 16 -4.753 -5.994 -4.484 98 H GLU 17 H GLU 17 0.751 -3.181 1.394 99 HA GLU 17 HA GLU 17 3.370 -2.450 0.258 100 HB2 GLU 17 1HB GLU 17 2.309 -1.309 2.823 101 HB3 GLU 17 2HB GLU 17 3.536 -0.655 1.747 102 HG2 GLU 17 1HG GLU 17 0.733 -0.939 0.776 103 HG3 GLU 17 2HG GLU 17 1.160 0.401 1.838 104 H CYS 18 H CYS 18 1.680 -4.006 2.911 105 HA CYS 18 HA CYS 18 4.213 -5.283 3.690 106 HB2 CYS 18 1HB CYS 18 3.570 -5.176 6.036 107 HB3 CYS 18 2HB CYS 18 3.610 -3.555 5.351 108 H GLY 19 H GLY 19 0.666 -5.454 3.871 109 HA2 GLY 19 1HA GLY 19 -0.190 -7.601 2.835 110 HA3 GLY 19 2HA GLY 19 0.906 -8.396 3.955 111 H LYS 20 H LYS 20 -0.827 -5.539 4.909 112 HA LYS 20 HA LYS 20 -2.176 -7.055 6.982 113 HB2 LYS 20 1HB LYS 20 -1.021 -4.672 7.108 114 HB3 LYS 20 2HB LYS 20 -2.615 -4.128 6.601 115 HG2 LYS 20 1HG LYS 20 -2.894 -4.027 8.848 116 HG3 LYS 20 2HG LYS 20 -3.381 -5.703 8.584 117 HD2 LYS 20 1HD LYS 20 -0.821 -6.169 8.944 118 HD3 LYS 20 2HD LYS 20 -0.872 -4.615 9.778 119 HE2 LYS 20 1HE LYS 20 -1.249 -6.219 11.451 120 HE3 LYS 20 2HE LYS 20 -2.842 -5.560 11.082 121 HZ1 LYS 20 3HZ LYS 20 -3.454 -7.474 9.944 122 HZ2 LYS 20 1HZ LYS 20 -2.602 -8.078 11.276 123 HZ3 LYS 20 2HZ LYS 20 -1.860 -8.010 9.758 124 H ALA 21 H ALA 21 -4.477 -6.734 7.427 125 HA ALA 21 HA ALA 21 -6.060 -6.166 5.012 126 HB1 ALA 21 3HB ALA 21 -7.348 -8.096 5.231 127 HB2 ALA 21 1HB ALA 21 -5.703 -8.654 5.537 128 HB3 ALA 21 2HB ALA 21 -6.808 -8.383 6.885 129 H PHE 22 H PHE 22 -8.001 -5.144 5.326 130 HA PHE 22 HA PHE 22 -8.880 -4.649 8.076 131 HB2 PHE 22 1HB PHE 22 -8.657 -2.416 6.056 132 HB3 PHE 22 2HB PHE 22 -9.037 -2.284 7.770 133 HD1 PHE 22 HD1 PHE 22 -6.381 -2.808 5.308 134 HD2 PHE 22 HD2 PHE 22 -7.309 -2.373 9.439 135 HE1 PHE 22 HE1 PHE 22 -3.995 -2.462 5.804 136 HE2 PHE 22 HE2 PHE 22 -4.925 -2.025 9.942 137 HZ PHE 22 HZ PHE 22 -3.265 -2.068 8.123 138 H SER 23 H SER 23 -10.996 -4.947 8.286 139 HA SER 23 HA SER 23 -12.645 -5.756 6.183 140 HB2 SER 23 1HB SER 23 -14.433 -5.771 7.760 141 HB3 SER 23 2HB SER 23 -12.978 -6.183 8.667 142 HG SER 23 HG SER 23 -13.829 -4.637 9.890 143 H GLN 24 H GLN 24 -12.092 -2.590 7.586 144 HA GLN 24 HA GLN 24 -14.055 -1.425 5.738 145 HB2 GLN 24 1HB GLN 24 -12.772 -0.362 8.251 146 HB3 GLN 24 2HB GLN 24 -13.699 0.655 7.156 147 HG2 GLN 24 1HG GLN 24 -14.892 -1.850 8.262 148 HG3 GLN 24 2HG GLN 24 -14.848 -0.375 9.227 149 HE21 GLN 24 1HE2 GLN 24 -16.457 1.010 8.989 150 HE22 GLN 24 2HE2 GLN 24 -17.591 1.028 7.686 151 H THR 25 H THR 25 -13.493 0.350 4.425 152 HA THR 25 HA THR 25 -10.934 0.184 3.237 153 HB THR 25 HB THR 25 -11.609 2.156 1.919 154 HG1 THR 25 HG1 THR 25 -13.963 2.750 2.431 155 HG21 THR 25 3HG2 THR 25 -12.372 0.073 1.071 156 HG22 THR 25 1HG2 THR 25 -13.747 1.174 0.988 157 HG23 THR 25 2HG2 THR 25 -13.655 -0.027 2.277 158 H THR 26 H THR 26 -12.432 2.798 5.148 159 HA THR 26 HA THR 26 -10.315 4.551 5.255 160 HB THR 26 HB THR 26 -12.453 5.182 6.169 161 HG1 THR 26 HG1 THR 26 -11.515 6.424 7.612 162 HG21 THR 26 3HG2 THR 26 -11.929 3.093 8.286 163 HG22 THR 26 1HG2 THR 26 -13.188 3.048 7.053 164 HG23 THR 26 2HG2 THR 26 -13.245 4.265 8.328 165 H HIS 27 H HIS 27 -10.788 1.583 7.057 166 HA HIS 27 HA HIS 27 -8.736 2.005 8.970 167 HB2 HIS 27 1HB HIS 27 -10.212 -0.421 7.986 168 HB3 HIS 27 2HB HIS 27 -8.861 -0.584 9.103 169 HD1 HIS 27 HD1 HIS 27 -11.865 -1.294 9.776 170 HD2 HIS 27 HD2 HIS 27 -9.890 2.204 10.837 171 HE1 HIS 27 HE1 HIS 27 -13.104 -0.401 11.774 172 H LEU 28 H LEU 28 -8.762 0.883 5.684 173 HA LEU 28 HA LEU 28 -6.112 -0.251 5.801 174 HB2 LEU 28 1HB LEU 28 -7.627 -1.250 4.270 175 HB3 LEU 28 2HB LEU 28 -8.026 0.308 3.550 176 HG LEU 28 HG LEU 28 -5.918 0.426 2.446 177 HD11 LEU 28 1HD1 LEU 28 -5.071 -2.187 3.642 178 HD12 LEU 28 2HD1 LEU 28 -4.709 -0.655 4.435 179 HD13 LEU 28 3HD1 LEU 28 -4.094 -0.974 2.814 180 HD21 LEU 28 3HD2 LEU 28 -7.428 -2.132 2.228 181 HD22 LEU 28 1HD2 LEU 28 -5.930 -1.946 1.315 182 HD23 LEU 28 2HD2 LEU 28 -7.260 -0.815 1.066 183 H ILE 29 H ILE 29 -7.569 2.803 4.991 184 HA ILE 29 HA ILE 29 -5.288 3.865 3.621 185 HB ILE 29 HB ILE 29 -7.619 5.331 4.862 186 HG12 ILE 29 1HG1 ILE 29 -7.191 4.540 1.975 187 HG13 ILE 29 2HG1 ILE 29 -8.208 3.642 3.098 188 HG21 ILE 29 1HG2 ILE 29 -5.648 6.251 2.774 189 HG22 ILE 29 2HG2 ILE 29 -6.990 7.183 3.437 190 HG23 ILE 29 3HG2 ILE 29 -5.633 6.735 4.470 191 HD11 ILE 29 3HD1 ILE 29 -9.736 5.435 3.282 192 HD12 ILE 29 1HD1 ILE 29 -8.643 6.542 2.452 193 HD13 ILE 29 2HD1 ILE 29 -9.403 5.221 1.564 194 H GLN 30 H GLN 30 -6.587 4.099 6.903 195 HA GLN 30 HA GLN 30 -4.830 6.024 7.905 196 HB2 GLN 30 1HB GLN 30 -5.380 5.121 10.125 197 HB3 GLN 30 2HB GLN 30 -6.814 5.318 9.126 198 HG2 GLN 30 1HG GLN 30 -6.831 2.939 8.645 199 HG3 GLN 30 2HG GLN 30 -5.361 2.724 9.594 200 HE21 GLN 30 1HE2 GLN 30 -7.449 1.212 10.252 201 HE22 GLN 30 2HE2 GLN 30 -8.174 1.749 11.725 202 H HIS 31 H HIS 31 -4.554 2.481 7.896 203 HA HIS 31 HA HIS 31 -2.052 2.380 9.202 204 HB2 HIS 31 1HB HIS 31 -3.143 0.341 9.241 205 HB3 HIS 31 2HB HIS 31 -3.664 0.468 7.564 206 HD1 HIS 31 HD1 HIS 31 -0.934 -0.815 9.703 207 HD2 HIS 31 HD2 HIS 31 -1.685 -0.280 5.652 208 HE1 HIS 31 HE1 HIS 31 0.815 -2.172 8.510 209 H GLN 32 H GLN 32 -2.972 2.584 5.806 210 HA GLN 32 HA GLN 32 -0.574 2.049 4.563 211 HB2 GLN 32 1HB GLN 32 -2.864 3.854 3.901 212 HB3 GLN 32 2HB GLN 32 -1.417 3.910 2.904 213 HG2 GLN 32 1HG GLN 32 -1.662 1.668 2.237 214 HG3 GLN 32 2HG GLN 32 -2.862 1.347 3.489 215 HE21 GLN 32 1HE2 GLN 32 -3.549 0.583 1.071 216 HE22 GLN 32 2HE2 GLN 32 -4.706 1.649 0.357 217 H ARG 33 H ARG 33 -1.445 4.785 6.492 218 HA ARG 33 HA ARG 33 0.338 6.715 5.596 219 HB2 ARG 33 1HB ARG 33 -0.841 6.114 8.290 220 HB3 ARG 33 2HB ARG 33 0.329 7.413 8.100 221 HG2 ARG 33 1HG ARG 33 -1.091 8.662 6.748 222 HG3 ARG 33 2HG ARG 33 -2.104 7.269 6.364 223 HD2 ARG 33 1HD ARG 33 -3.364 8.547 7.881 224 HD3 ARG 33 2HD ARG 33 -2.703 7.219 8.833 225 HE ARG 33 HE ARG 33 -1.425 8.727 10.012 226 HH11 ARG 33 1HH1 ARG 33 -2.847 10.288 7.244 227 HH12 ARG 33 2HH1 ARG 33 -2.407 11.884 7.754 228 HH21 ARG 33 1HH2 ARG 33 -0.840 10.824 10.694 229 HH22 ARG 33 2HH2 ARG 33 -1.265 12.188 9.717 230 H VAL 34 H VAL 34 0.910 3.820 7.430 231 HA VAL 34 HA VAL 34 3.454 4.510 8.477 232 HB VAL 34 HB VAL 34 3.745 2.160 8.948 233 HG11 VAL 34 1HG1 VAL 34 1.032 3.326 9.426 234 HG12 VAL 34 2HG1 VAL 34 1.424 1.707 10.009 235 HG13 VAL 34 3HG1 VAL 34 2.365 3.095 10.557 236 HG21 VAL 34 3HG2 VAL 34 2.155 1.818 6.620 237 HG22 VAL 34 1HG2 VAL 34 3.000 0.592 7.565 238 HG23 VAL 34 2HG2 VAL 34 1.337 1.021 7.964 239 H HIS 35 H HIS 35 2.392 3.685 5.345 240 HA HIS 35 HA HIS 35 5.165 3.149 4.500 241 HB2 HIS 35 1HB HIS 35 2.700 2.391 2.937 242 HB3 HIS 35 2HB HIS 35 4.350 1.818 2.709 243 HD1 HIS 35 HD1 HIS 35 5.277 0.300 4.784 244 HD2 HIS 35 HD2 HIS 35 1.161 0.761 4.465 245 HE1 HIS 35 HE1 HIS 35 4.285 -1.552 6.165 246 H THR 36 H THR 36 2.444 5.214 4.214 247 HA THR 36 HA THR 36 3.585 6.543 1.855 248 HB THR 36 HB THR 36 1.393 7.809 1.839 249 HG1 THR 36 HG1 THR 36 0.315 5.751 3.414 250 HG21 THR 36 3HG2 THR 36 1.984 5.706 0.485 251 HG22 THR 36 1HG2 THR 36 0.281 6.142 0.622 252 HG23 THR 36 2HG2 THR 36 0.943 4.847 1.620 253 H GLY 37 H GLY 37 5.183 7.071 3.847 254 HA2 GLY 37 1HA GLY 37 4.292 9.408 5.335 255 HA3 GLY 37 2HA GLY 37 5.847 8.604 5.487 256 H GLU 38 H GLU 38 4.997 11.480 5.074 257 HA GLU 38 HA GLU 38 6.530 12.012 2.617 258 HB2 GLU 38 1HB GLU 38 4.279 12.909 2.514 259 HB3 GLU 38 2HB GLU 38 4.499 13.726 4.056 260 HG2 GLU 38 1HG GLU 38 4.670 15.272 2.183 261 HG3 GLU 38 2HG GLU 38 6.183 15.171 3.082 262 H LYS 39 H LYS 39 8.432 13.019 2.757 263 HA LYS 39 HA LYS 39 9.302 13.947 5.399 264 HB2 LYS 39 1HB LYS 39 10.766 13.003 2.951 265 HB3 LYS 39 2HB LYS 39 11.596 13.934 4.191 266 HG2 LYS 39 1HG LYS 39 11.463 12.251 5.740 267 HG3 LYS 39 2HG LYS 39 10.029 11.536 5.001 268 HD2 LYS 39 1HD LYS 39 11.294 10.556 3.264 269 HD3 LYS 39 2HD LYS 39 12.714 11.532 3.645 270 HE2 LYS 39 1HE LYS 39 13.047 10.342 5.704 271 HE3 LYS 39 2HE LYS 39 11.529 9.469 5.496 272 HZ1 LYS 39 3HZ LYS 39 12.854 7.905 4.625 273 HZ2 LYS 39 1HZ LYS 39 14.117 8.983 4.301 274 HZ3 LYS 39 2HZ LYS 39 12.814 8.860 3.230 275 HA PRO 40 HA PRO 40 9.177 18.171 4.165 276 HB2 PRO 40 1HB PRO 40 11.001 19.183 5.902 277 HB3 PRO 40 2HB PRO 40 9.382 18.674 6.397 278 HG2 PRO 40 1HG PRO 40 11.982 17.206 6.623 279 HG3 PRO 40 2HG PRO 40 10.673 17.353 7.811 280 HD2 PRO 40 1HD PRO 40 10.995 15.155 6.262 281 HD3 PRO 40 2HD PRO 40 9.399 15.721 6.796 282 H SER 41 H SER 41 11.886 16.174 3.771 283 HA SER 41 HA SER 41 13.734 18.135 2.812 284 HB2 SER 41 1HB SER 41 14.500 15.981 3.722 285 HB3 SER 41 2HB SER 41 13.698 15.135 2.399 286 HG SER 41 HG SER 41 15.667 15.356 1.595 287 H GLY 42 H GLY 42 14.195 18.753 0.739 288 HA2 GLY 42 1HA GLY 42 12.109 18.217 -1.228 289 HA3 GLY 42 2HA GLY 42 13.353 19.453 -1.339 290 HA PRO 43 HA PRO 43 15.656 16.953 -4.100 291 HB2 PRO 43 1HB PRO 43 18.211 17.581 -3.428 292 HB3 PRO 43 2HB PRO 43 17.139 18.700 -4.279 293 HG2 PRO 43 1HG PRO 43 17.830 18.583 -1.369 294 HG3 PRO 43 2HG PRO 43 17.694 19.997 -2.430 295 HD2 PRO 43 1HD PRO 43 15.728 19.266 -0.717 296 HD3 PRO 43 2HD PRO 43 15.395 20.048 -2.275 297 H SER 44 H SER 44 16.260 14.875 -4.184 298 HA SER 44 HA SER 44 17.621 13.678 -1.881 299 HB2 SER 44 1HB SER 44 15.172 13.230 -1.682 300 HB3 SER 44 2HB SER 44 15.234 12.404 -3.238 301 HG SER 44 HG SER 44 15.441 11.066 -1.274 302 H SER 45 H SER 45 19.211 12.302 -2.420 303 HA SER 45 HA SER 45 19.236 10.948 -4.974 304 HB2 SER 45 1HB SER 45 21.363 11.894 -5.725 305 HB3 SER 45 2HB SER 45 20.161 13.171 -5.541 306 HG SER 45 HG SER 45 21.228 13.164 -3.253 307 H GLY 46 H GLY 46 21.423 9.721 -5.197 308 HA2 GLY 46 1HA GLY 46 23.197 9.109 -3.265 309 HA3 GLY 46 2HA GLY 46 21.761 8.254 -2.721 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.775 -35.855 6.658 2 HA2 GLY 1 1HA GLY 1 0.926 -37.251 9.120 3 HA3 GLY 1 2HA GLY 1 2.486 -36.466 8.927 4 H SER 2 H SER 2 2.638 -34.631 10.009 5 HA SER 2 HA SER 2 0.365 -33.282 11.059 6 HB2 SER 2 1HB SER 2 3.238 -32.338 10.910 7 HB3 SER 2 2HB SER 2 1.977 -31.664 11.942 8 HG SER 2 HG SER 2 3.536 -33.367 12.790 9 H SER 3 H SER 3 -0.983 -32.199 9.777 10 HA SER 3 HA SER 3 0.051 -30.739 7.470 11 HB2 SER 3 1HB SER 3 -1.914 -32.177 7.137 12 HB3 SER 3 2HB SER 3 -2.802 -31.252 8.348 13 HG SER 3 HG SER 3 -2.066 -29.419 6.782 14 H GLY 4 H GLY 4 -0.284 -28.530 7.137 15 HA2 GLY 4 1HA GLY 4 -0.851 -27.021 9.610 16 HA3 GLY 4 2HA GLY 4 0.254 -26.487 8.352 17 H SER 5 H SER 5 -1.785 -24.868 9.342 18 HA SER 5 HA SER 5 -3.488 -24.634 6.955 19 HB2 SER 5 1HB SER 5 -4.884 -25.524 8.743 20 HB3 SER 5 2HB SER 5 -4.358 -24.237 9.828 21 HG SER 5 HG SER 5 -6.252 -24.201 7.848 22 H SER 6 H SER 6 -2.895 -22.840 5.945 23 HA SER 6 HA SER 6 -2.453 -20.411 7.545 24 HB2 SER 6 1HB SER 6 -0.314 -21.514 6.630 25 HB3 SER 6 2HB SER 6 -0.874 -20.989 5.043 26 HG SER 6 HG SER 6 0.497 -19.574 6.709 27 H GLY 7 H GLY 7 -4.119 -19.129 7.077 28 HA2 GLY 7 1HA GLY 7 -4.489 -18.036 4.506 29 HA3 GLY 7 2HA GLY 7 -5.712 -19.269 4.779 30 H THR 8 H THR 8 -4.582 -16.106 5.634 31 HA THR 8 HA THR 8 -7.143 -15.607 6.982 32 HB THR 8 HB THR 8 -5.985 -14.140 8.625 33 HG1 THR 8 HG1 THR 8 -3.617 -15.419 7.684 34 HG21 THR 8 3HG2 THR 8 -5.310 -17.074 8.562 35 HG22 THR 8 1HG2 THR 8 -6.618 -16.274 9.433 36 HG23 THR 8 2HG2 THR 8 -4.947 -16.044 9.947 37 H GLY 9 H GLY 9 -8.068 -13.649 6.556 38 HA2 GLY 9 1HA GLY 9 -7.951 -11.335 5.921 39 HA3 GLY 9 2HA GLY 9 -6.490 -11.699 5.015 40 H GLU 10 H GLU 10 -9.937 -12.598 5.105 41 HA GLU 10 HA GLU 10 -9.880 -13.016 2.216 42 HB2 GLU 10 1HB GLU 10 -12.326 -13.364 3.912 43 HB3 GLU 10 2HB GLU 10 -11.869 -14.208 2.439 44 HG2 GLU 10 1HG GLU 10 -11.598 -15.796 4.109 45 HG3 GLU 10 2HG GLU 10 -9.964 -15.206 3.814 46 H LYS 11 H LYS 11 -10.202 -10.439 4.147 47 HA LYS 11 HA LYS 11 -12.553 -9.181 3.165 48 HB2 LYS 11 1HB LYS 11 -10.109 -7.788 4.258 49 HB3 LYS 11 2HB LYS 11 -11.769 -7.207 4.262 50 HG2 LYS 11 1HG LYS 11 -11.180 -9.751 5.673 51 HG3 LYS 11 2HG LYS 11 -10.647 -8.240 6.413 52 HD2 LYS 11 1HD LYS 11 -12.740 -8.377 7.313 53 HD3 LYS 11 2HD LYS 11 -13.126 -7.509 5.825 54 HE2 LYS 11 1HE LYS 11 -14.720 -9.204 5.899 55 HE3 LYS 11 2HE LYS 11 -13.492 -9.840 4.806 56 HZ1 LYS 11 3HZ LYS 11 -14.480 -11.073 7.045 57 HZ2 LYS 11 1HZ LYS 11 -12.947 -10.533 7.515 58 HZ3 LYS 11 2HZ LYS 11 -13.112 -11.537 6.164 59 HA PRO 12 HA PRO 12 -11.237 -7.794 -0.797 60 HB2 PRO 12 1HB PRO 12 -12.851 -5.629 -1.076 61 HB3 PRO 12 2HB PRO 12 -13.443 -7.290 -1.193 62 HG2 PRO 12 1HG PRO 12 -13.562 -5.396 1.121 63 HG3 PRO 12 2HG PRO 12 -14.815 -6.490 0.506 64 HD2 PRO 12 1HD PRO 12 -13.301 -7.081 2.671 65 HD3 PRO 12 2HD PRO 12 -13.906 -8.327 1.561 66 H TYR 13 H TYR 13 -10.444 -6.278 2.016 67 HA TYR 13 HA TYR 13 -8.938 -4.180 0.597 68 HB2 TYR 13 1HB TYR 13 -9.932 -3.973 3.442 69 HB3 TYR 13 2HB TYR 13 -9.191 -2.705 2.473 70 HD1 TYR 13 HD2 TYR 13 -10.478 -2.108 0.254 71 HD2 TYR 13 HD1 TYR 13 -12.239 -4.045 3.608 72 HE1 TYR 13 HE2 TYR 13 -12.702 -1.377 -0.499 73 HE2 TYR 13 HE1 TYR 13 -14.468 -3.320 2.864 74 HH TYR 13 HH TYR 13 -14.871 -1.254 0.012 75 H GLU 14 H GLU 14 -6.817 -4.443 0.703 76 HA GLU 14 HA GLU 14 -5.564 -5.404 3.138 77 HB2 GLU 14 1HB GLU 14 -6.166 -7.382 1.556 78 HB3 GLU 14 2HB GLU 14 -4.823 -6.796 0.585 79 HG2 GLU 14 1HG GLU 14 -3.262 -7.237 2.277 80 HG3 GLU 14 2HG GLU 14 -4.516 -7.412 3.503 81 H CYS 15 H CYS 15 -3.511 -4.646 3.414 82 HA CYS 15 HA CYS 15 -2.666 -2.532 1.657 83 HB2 CYS 15 1HB CYS 15 -2.469 -2.488 4.177 84 HB3 CYS 15 2HB CYS 15 -1.167 -3.663 4.023 85 H LYS 16 H LYS 16 -2.296 -3.798 -0.263 86 HA LYS 16 HA LYS 16 -0.638 -5.942 -0.609 87 HB2 LYS 16 1HB LYS 16 -1.362 -3.609 -2.307 88 HB3 LYS 16 2HB LYS 16 -0.015 -4.607 -2.840 89 HG2 LYS 16 1HG LYS 16 -1.752 -6.550 -2.358 90 HG3 LYS 16 2HG LYS 16 -2.902 -5.246 -2.667 91 HD2 LYS 16 1HD LYS 16 -2.624 -6.007 -4.800 92 HD3 LYS 16 2HD LYS 16 -1.308 -4.832 -4.744 93 HE2 LYS 16 1HE LYS 16 0.256 -6.628 -4.161 94 HE3 LYS 16 2HE LYS 16 -1.062 -7.796 -4.232 95 HZ1 LYS 16 3HZ LYS 16 -0.998 -7.847 -6.454 96 HZ2 LYS 16 1HZ LYS 16 0.552 -7.190 -6.290 97 HZ3 LYS 16 2HZ LYS 16 -0.767 -6.179 -6.605 98 H GLU 17 H GLU 17 0.242 -2.776 0.376 99 HA GLU 17 HA GLU 17 2.904 -2.654 -0.487 100 HB2 GLU 17 1HB GLU 17 1.853 -1.529 2.109 101 HB3 GLU 17 2HB GLU 17 3.220 -0.949 1.169 102 HG2 GLU 17 1HG GLU 17 1.505 -0.524 -0.690 103 HG3 GLU 17 2HG GLU 17 0.297 -0.695 0.583 104 H CYS 18 H CYS 18 1.686 -3.588 2.736 105 HA CYS 18 HA CYS 18 4.151 -5.158 3.104 106 HB2 CYS 18 1HB CYS 18 3.807 -4.886 5.522 107 HB3 CYS 18 2HB CYS 18 3.929 -3.326 4.714 108 H GLY 19 H GLY 19 0.647 -5.140 3.532 109 HA2 GLY 19 1HA GLY 19 -0.482 -7.247 2.905 110 HA3 GLY 19 2HA GLY 19 0.766 -8.080 3.821 111 H LYS 20 H LYS 20 -1.838 -5.691 4.187 112 HA LYS 20 HA LYS 20 -2.525 -6.951 6.743 113 HB2 LYS 20 1HB LYS 20 -1.116 -4.812 7.011 114 HB3 LYS 20 2HB LYS 20 -2.545 -3.955 6.449 115 HG2 LYS 20 1HG LYS 20 -3.754 -4.449 8.345 116 HG3 LYS 20 2HG LYS 20 -2.775 -5.868 8.726 117 HD2 LYS 20 1HD LYS 20 -1.460 -3.198 8.742 118 HD3 LYS 20 2HD LYS 20 -2.532 -3.611 10.082 119 HE2 LYS 20 1HE LYS 20 -0.546 -4.406 10.894 120 HE3 LYS 20 2HE LYS 20 -1.142 -5.845 10.068 121 HZ1 LYS 20 3HZ LYS 20 1.233 -5.252 9.623 122 HZ2 LYS 20 1HZ LYS 20 0.679 -3.888 8.788 123 HZ3 LYS 20 2HZ LYS 20 0.275 -5.436 8.241 124 H ALA 21 H ALA 21 -4.557 -7.610 6.594 125 HA ALA 21 HA ALA 21 -6.386 -6.274 4.750 126 HB1 ALA 21 3HB ALA 21 -7.626 -8.475 6.048 127 HB2 ALA 21 1HB ALA 21 -7.123 -8.328 4.363 128 HB3 ALA 21 2HB ALA 21 -6.000 -8.960 5.568 129 H PHE 22 H PHE 22 -8.086 -5.075 5.371 130 HA PHE 22 HA PHE 22 -8.730 -4.984 8.244 131 HB2 PHE 22 1HB PHE 22 -8.593 -2.678 6.292 132 HB3 PHE 22 2HB PHE 22 -9.236 -2.559 7.927 133 HD1 PHE 22 HD2 PHE 22 -7.765 -2.674 9.855 134 HD2 PHE 22 HD1 PHE 22 -6.230 -2.869 5.890 135 HE1 PHE 22 HE2 PHE 22 -5.503 -2.223 10.712 136 HE2 PHE 22 HE1 PHE 22 -3.966 -2.419 6.741 137 HZ PHE 22 HZ PHE 22 -3.600 -2.094 9.155 138 H SER 23 H SER 23 -10.899 -4.591 8.800 139 HA SER 23 HA SER 23 -12.807 -5.808 7.129 140 HB2 SER 23 1HB SER 23 -13.273 -5.914 9.431 141 HB3 SER 23 2HB SER 23 -13.007 -4.186 9.657 142 HG SER 23 HG SER 23 -15.290 -5.234 9.433 143 H GLN 24 H GLN 24 -12.082 -2.416 7.804 144 HA GLN 24 HA GLN 24 -13.961 -1.655 5.667 145 HB2 GLN 24 1HB GLN 24 -12.989 -0.056 8.040 146 HB3 GLN 24 2HB GLN 24 -13.986 0.594 6.745 147 HG2 GLN 24 1HG GLN 24 -15.754 -0.998 7.312 148 HG3 GLN 24 2HG GLN 24 -14.756 -1.630 8.620 149 HE21 GLN 24 1HE2 GLN 24 -16.832 0.902 7.575 150 HE22 GLN 24 2HE2 GLN 24 -16.898 1.763 9.071 151 H THR 25 H THR 25 -13.280 -0.318 4.034 152 HA THR 25 HA THR 25 -10.667 -0.455 3.155 153 HB THR 25 HB THR 25 -12.517 0.157 1.675 154 HG1 THR 25 HG1 THR 25 -10.212 1.728 1.876 155 HG21 THR 25 3HG2 THR 25 -13.494 2.365 1.690 156 HG22 THR 25 1HG2 THR 25 -12.448 2.860 3.020 157 HG23 THR 25 2HG2 THR 25 -13.694 1.640 3.285 158 H THR 26 H THR 26 -12.225 2.090 5.054 159 HA THR 26 HA THR 26 -10.190 3.986 5.021 160 HB THR 26 HB THR 26 -12.376 4.508 5.940 161 HG1 THR 26 HG1 THR 26 -11.519 5.884 7.325 162 HG21 THR 26 3HG2 THR 26 -11.699 2.866 8.368 163 HG22 THR 26 1HG2 THR 26 -12.631 2.210 7.023 164 HG23 THR 26 2HG2 THR 26 -13.245 3.592 7.930 165 H HIS 27 H HIS 27 -10.651 1.196 7.148 166 HA HIS 27 HA HIS 27 -8.570 1.713 8.944 167 HB2 HIS 27 1HB HIS 27 -10.094 -0.704 8.111 168 HB3 HIS 27 2HB HIS 27 -8.591 -0.959 8.993 169 HD1 HIS 27 HD1 HIS 27 -8.651 -0.624 11.480 170 HD2 HIS 27 HD2 HIS 27 -12.068 0.799 9.592 171 HE1 HIS 27 HE1 HIS 27 -10.245 -0.031 13.333 172 H LEU 28 H LEU 28 -8.504 0.672 5.671 173 HA LEU 28 HA LEU 28 -5.815 -0.408 5.838 174 HB2 LEU 28 1HB LEU 28 -7.171 -1.562 4.320 175 HB3 LEU 28 2HB LEU 28 -7.816 -0.074 3.630 176 HG LEU 28 HG LEU 28 -5.710 0.349 2.503 177 HD11 LEU 28 1HD1 LEU 28 -4.728 -2.284 3.575 178 HD12 LEU 28 2HD1 LEU 28 -4.304 -0.727 4.285 179 HD13 LEU 28 3HD1 LEU 28 -3.836 -1.096 2.626 180 HD21 LEU 28 3HD2 LEU 28 -5.771 -2.268 1.489 181 HD22 LEU 28 1HD2 LEU 28 -6.608 -0.847 0.865 182 HD23 LEU 28 2HD2 LEU 28 -7.413 -1.907 2.022 183 H ILE 29 H ILE 29 -7.452 2.368 4.346 184 HA ILE 29 HA ILE 29 -5.168 3.529 3.192 185 HB ILE 29 HB ILE 29 -7.682 4.892 4.166 186 HG12 ILE 29 1HG1 ILE 29 -6.976 4.067 1.350 187 HG13 ILE 29 2HG1 ILE 29 -7.902 3.037 2.436 188 HG21 ILE 29 1HG2 ILE 29 -5.639 6.344 3.783 189 HG22 ILE 29 2HG2 ILE 29 -5.768 5.901 2.081 190 HG23 ILE 29 3HG2 ILE 29 -7.087 6.768 2.869 191 HD11 ILE 29 3HD1 ILE 29 -9.654 4.673 2.568 192 HD12 ILE 29 1HD1 ILE 29 -8.708 5.815 1.614 193 HD13 ILE 29 2HD1 ILE 29 -9.302 4.327 0.875 194 H GLN 30 H GLN 30 -6.575 3.803 6.406 195 HA GLN 30 HA GLN 30 -5.063 5.982 7.325 196 HB2 GLN 30 1HB GLN 30 -5.600 5.137 9.592 197 HB3 GLN 30 2HB GLN 30 -7.009 5.220 8.542 198 HG2 GLN 30 1HG GLN 30 -7.330 3.181 9.500 199 HG3 GLN 30 2HG GLN 30 -6.414 2.713 8.069 200 HE21 GLN 30 1HE2 GLN 30 -6.348 0.895 9.893 201 HE22 GLN 30 2HE2 GLN 30 -4.877 0.891 10.799 202 H HIS 31 H HIS 31 -4.497 2.485 7.687 203 HA HIS 31 HA HIS 31 -2.079 2.656 9.073 204 HB2 HIS 31 1HB HIS 31 -2.968 0.521 9.083 205 HB3 HIS 31 2HB HIS 31 -3.371 0.567 7.369 206 HD1 HIS 31 HD1 HIS 31 -0.731 -0.455 9.731 207 HD2 HIS 31 HD2 HIS 31 -1.159 0.036 5.628 208 HE1 HIS 31 HE1 HIS 31 1.234 -1.640 8.704 209 H GLN 32 H GLN 32 -2.740 2.612 5.600 210 HA GLN 32 HA GLN 32 -0.286 2.292 4.495 211 HB2 GLN 32 1HB GLN 32 -2.487 4.205 3.742 212 HB3 GLN 32 2HB GLN 32 -1.036 4.026 2.765 213 HG2 GLN 32 1HG GLN 32 -1.695 1.466 2.930 214 HG3 GLN 32 2HG GLN 32 -3.298 2.158 3.172 215 HE21 GLN 32 1HE2 GLN 32 -2.234 0.590 0.946 216 HE22 GLN 32 2HE2 GLN 32 -2.456 1.559 -0.466 217 H ARG 33 H ARG 33 -1.334 4.946 6.451 218 HA ARG 33 HA ARG 33 0.451 6.942 5.702 219 HB2 ARG 33 1HB ARG 33 -0.858 6.254 8.318 220 HB3 ARG 33 2HB ARG 33 0.262 7.605 8.198 221 HG2 ARG 33 1HG ARG 33 -1.135 8.729 6.636 222 HG3 ARG 33 2HG ARG 33 -2.174 7.313 6.460 223 HD2 ARG 33 1HD ARG 33 -3.313 8.842 7.878 224 HD3 ARG 33 2HD ARG 33 -2.720 7.532 8.899 225 HE ARG 33 HE ARG 33 -0.752 9.362 9.084 226 HH11 ARG 33 1HH1 ARG 33 -4.207 9.562 9.467 227 HH12 ARG 33 2HH1 ARG 33 -4.135 10.849 10.625 228 HH21 ARG 33 1HH2 ARG 33 -0.644 11.055 10.609 229 HH22 ARG 33 2HH2 ARG 33 -2.108 11.697 11.273 230 H VAL 34 H VAL 34 0.882 4.257 7.971 231 HA VAL 34 HA VAL 34 3.339 4.905 9.050 232 HB VAL 34 HB VAL 34 3.713 2.464 9.327 233 HG11 VAL 34 1HG1 VAL 34 1.231 3.865 10.128 234 HG12 VAL 34 2HG1 VAL 34 1.305 2.126 10.423 235 HG13 VAL 34 3HG1 VAL 34 2.525 3.193 11.119 236 HG21 VAL 34 3HG2 VAL 34 1.912 2.332 7.120 237 HG22 VAL 34 1HG2 VAL 34 2.806 1.026 7.900 238 HG23 VAL 34 2HG2 VAL 34 1.203 1.470 8.485 239 H HIS 35 H HIS 35 2.582 3.970 5.828 240 HA HIS 35 HA HIS 35 5.322 3.240 5.182 241 HB2 HIS 35 1HB HIS 35 2.794 3.369 3.536 242 HB3 HIS 35 2HB HIS 35 4.369 2.977 2.852 243 HD1 HIS 35 HD1 HIS 35 5.552 0.807 4.081 244 HD2 HIS 35 HD2 HIS 35 1.429 1.203 4.408 245 HE1 HIS 35 HE1 HIS 35 4.706 -1.474 4.721 246 H THR 36 H THR 36 3.096 5.909 4.763 247 HA THR 36 HA THR 36 5.175 7.400 3.306 248 HB THR 36 HB THR 36 3.066 7.254 2.086 249 HG1 THR 36 HG1 THR 36 4.020 9.691 3.068 250 HG21 THR 36 3HG2 THR 36 1.087 8.529 3.054 251 HG22 THR 36 1HG2 THR 36 1.915 8.428 4.608 252 HG23 THR 36 2HG2 THR 36 1.433 6.954 3.767 253 H GLY 37 H GLY 37 5.391 7.066 6.100 254 HA2 GLY 37 1HA GLY 37 4.322 9.324 7.487 255 HA3 GLY 37 2HA GLY 37 5.577 8.242 8.073 256 H GLU 38 H GLU 38 5.529 11.067 8.423 257 HA GLU 38 HA GLU 38 7.512 12.114 6.567 258 HB2 GLU 38 1HB GLU 38 5.488 13.411 7.527 259 HB3 GLU 38 2HB GLU 38 6.464 13.563 8.981 260 HG2 GLU 38 1HG GLU 38 8.020 14.923 7.961 261 HG3 GLU 38 2HG GLU 38 7.603 14.362 6.343 262 H LYS 39 H LYS 39 8.613 10.032 7.847 263 HA LYS 39 HA LYS 39 10.267 11.195 9.986 264 HB2 LYS 39 1HB LYS 39 9.037 9.172 10.627 265 HB3 LYS 39 2HB LYS 39 9.771 8.293 9.292 266 HG2 LYS 39 1HG LYS 39 11.945 8.475 10.294 267 HG3 LYS 39 2HG LYS 39 11.311 9.517 11.570 268 HD2 LYS 39 1HD LYS 39 9.862 7.659 12.318 269 HD3 LYS 39 2HD LYS 39 10.592 6.625 11.087 270 HE2 LYS 39 1HE LYS 39 12.747 6.812 12.132 271 HE3 LYS 39 2HE LYS 39 12.139 8.012 13.272 272 HZ1 LYS 39 3HZ LYS 39 11.017 5.279 13.137 273 HZ2 LYS 39 1HZ LYS 39 10.879 6.410 14.387 274 HZ3 LYS 39 2HZ LYS 39 12.359 5.645 14.099 275 HA PRO 40 HA PRO 40 13.012 10.899 6.247 276 HB2 PRO 40 1HB PRO 40 14.134 13.347 6.586 277 HB3 PRO 40 2HB PRO 40 12.629 13.096 5.693 278 HG2 PRO 40 1HG PRO 40 13.027 14.013 8.515 279 HG3 PRO 40 2HG PRO 40 11.904 14.626 7.286 280 HD2 PRO 40 1HD PRO 40 11.127 12.941 9.260 281 HD3 PRO 40 2HD PRO 40 10.386 12.928 7.646 282 H SER 41 H SER 41 14.826 9.787 6.560 283 HA SER 41 HA SER 41 16.443 10.371 8.954 284 HB2 SER 41 1HB SER 41 15.774 7.800 7.567 285 HB3 SER 41 2HB SER 41 17.301 7.937 8.439 286 HG SER 41 HG SER 41 14.763 7.686 9.402 287 H GLY 42 H GLY 42 18.669 10.529 8.757 288 HA2 GLY 42 1HA GLY 42 20.550 9.939 7.103 289 HA3 GLY 42 2HA GLY 42 19.614 10.934 5.997 290 HA PRO 43 HA PRO 43 21.477 13.770 9.488 291 HB2 PRO 43 1HB PRO 43 23.681 12.744 10.697 292 HB3 PRO 43 2HB PRO 43 22.045 12.517 11.328 293 HG2 PRO 43 1HG PRO 43 23.723 10.648 9.700 294 HG3 PRO 43 2HG PRO 43 22.707 10.298 11.111 295 HD2 PRO 43 1HD PRO 43 21.901 9.797 8.575 296 HD3 PRO 43 2HD PRO 43 20.770 10.258 9.863 297 H SER 44 H SER 44 22.977 11.936 7.064 298 HA SER 44 HA SER 44 25.507 12.946 6.778 299 HB2 SER 44 1HB SER 44 23.435 12.182 4.734 300 HB3 SER 44 2HB SER 44 25.029 12.751 4.242 301 HG SER 44 HG SER 44 24.359 10.319 4.967 302 H SER 45 H SER 45 22.514 14.392 5.504 303 HA SER 45 HA SER 45 23.981 16.924 5.166 304 HB2 SER 45 1HB SER 45 22.142 17.520 3.559 305 HB3 SER 45 2HB SER 45 23.133 16.155 3.047 306 HG SER 45 HG SER 45 21.455 14.801 3.980 307 H GLY 46 H GLY 46 20.869 15.541 6.175 308 HA2 GLY 46 1HA GLY 46 19.521 17.766 7.020 309 HA3 GLY 46 2HA GLY 46 19.423 16.213 7.837 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.577 -25.195 2.989 2 HA2 GLY 1 1HA GLY 1 -0.177 -24.965 5.186 3 HA3 GLY 1 2HA GLY 1 -1.583 -24.380 4.309 4 H SER 2 H SER 2 -0.673 -26.386 6.704 5 HA SER 2 HA SER 2 -2.631 -28.479 6.113 6 HB2 SER 2 1HB SER 2 -0.567 -28.217 8.310 7 HB3 SER 2 2HB SER 2 -1.708 -29.555 8.184 8 HG SER 2 HG SER 2 -0.038 -28.867 6.020 9 H SER 3 H SER 3 -1.772 -26.488 8.949 10 HA SER 3 HA SER 3 -4.295 -26.868 10.201 11 HB2 SER 3 1HB SER 3 -3.526 -25.197 11.816 12 HB3 SER 3 2HB SER 3 -2.237 -26.350 11.467 13 HG SER 3 HG SER 3 -2.410 -23.649 10.893 14 H GLY 4 H GLY 4 -6.163 -25.963 9.670 15 HA2 GLY 4 1HA GLY 4 -6.148 -23.211 8.620 16 HA3 GLY 4 2HA GLY 4 -7.034 -24.466 7.767 17 H SER 5 H SER 5 -7.311 -22.009 9.957 18 HA SER 5 HA SER 5 -9.270 -23.138 11.715 19 HB2 SER 5 1HB SER 5 -8.278 -20.348 11.185 20 HB3 SER 5 2HB SER 5 -9.681 -20.626 12.217 21 HG SER 5 HG SER 5 -8.432 -21.482 13.713 22 H SER 6 H SER 6 -9.370 -21.048 8.856 23 HA SER 6 HA SER 6 -11.034 -20.560 7.384 24 HB2 SER 6 1HB SER 6 -11.310 -23.171 7.713 25 HB3 SER 6 2HB SER 6 -12.811 -22.689 8.504 26 HG SER 6 HG SER 6 -12.029 -21.897 5.892 27 H GLY 7 H GLY 7 -10.951 -19.096 9.743 28 HA2 GLY 7 1HA GLY 7 -13.674 -18.133 9.834 29 HA3 GLY 7 2HA GLY 7 -13.113 -18.826 11.348 30 H THR 8 H THR 8 -12.026 -16.516 8.861 31 HA THR 8 HA THR 8 -10.941 -14.849 11.036 32 HB THR 8 HB THR 8 -9.380 -13.895 9.424 33 HG1 THR 8 HG1 THR 8 -10.788 -15.565 7.619 34 HG21 THR 8 3HG2 THR 8 -7.988 -15.539 9.983 35 HG22 THR 8 1HG2 THR 8 -8.667 -16.559 8.716 36 HG23 THR 8 2HG2 THR 8 -9.364 -16.583 10.336 37 H GLY 9 H GLY 9 -12.516 -14.709 7.848 38 HA2 GLY 9 1HA GLY 9 -14.576 -13.267 7.865 39 HA3 GLY 9 2HA GLY 9 -13.547 -12.041 8.592 40 H GLU 10 H GLU 10 -15.105 -12.106 6.042 41 HA GLU 10 HA GLU 10 -13.172 -12.159 3.925 42 HB2 GLU 10 1HB GLU 10 -16.015 -11.145 4.042 43 HB3 GLU 10 2HB GLU 10 -15.043 -11.162 2.577 44 HG2 GLU 10 1HG GLU 10 -15.923 -13.543 4.191 45 HG3 GLU 10 2HG GLU 10 -16.497 -13.068 2.594 46 H LYS 11 H LYS 11 -11.696 -10.644 3.612 47 HA LYS 11 HA LYS 11 -12.434 -7.834 4.057 48 HB2 LYS 11 1HB LYS 11 -9.978 -9.271 5.040 49 HB3 LYS 11 2HB LYS 11 -9.996 -7.526 4.816 50 HG2 LYS 11 1HG LYS 11 -11.597 -7.214 6.496 51 HG3 LYS 11 2HG LYS 11 -12.043 -8.921 6.507 52 HD2 LYS 11 1HD LYS 11 -9.228 -8.207 7.145 53 HD3 LYS 11 2HD LYS 11 -10.464 -7.873 8.361 54 HE2 LYS 11 1HE LYS 11 -9.679 -10.030 8.860 55 HE3 LYS 11 2HE LYS 11 -11.213 -10.282 8.029 56 HZ1 LYS 11 3HZ LYS 11 -8.592 -10.377 6.648 57 HZ2 LYS 11 1HZ LYS 11 -10.094 -10.881 6.053 58 HZ3 LYS 11 2HZ LYS 11 -9.344 -11.747 7.297 59 HA PRO 12 HA PRO 12 -10.811 -8.286 -0.203 60 HB2 PRO 12 1HB PRO 12 -12.383 -6.324 -1.228 61 HB3 PRO 12 2HB PRO 12 -12.938 -7.990 -1.020 62 HG2 PRO 12 1HG PRO 12 -13.416 -5.602 0.722 63 HG3 PRO 12 2HG PRO 12 -14.553 -6.866 0.220 64 HD2 PRO 12 1HD PRO 12 -13.374 -6.853 2.657 65 HD3 PRO 12 2HD PRO 12 -13.797 -8.354 1.809 66 H TYR 13 H TYR 13 -10.462 -6.102 2.239 67 HA TYR 13 HA TYR 13 -8.923 -4.228 0.566 68 HB2 TYR 13 1HB TYR 13 -9.906 -3.676 3.363 69 HB3 TYR 13 2HB TYR 13 -9.307 -2.521 2.177 70 HD1 TYR 13 HD2 TYR 13 -10.706 -2.403 -0.055 71 HD2 TYR 13 HD1 TYR 13 -12.191 -3.900 3.640 72 HE1 TYR 13 HE2 TYR 13 -13.007 -1.988 -0.819 73 HE2 TYR 13 HE1 TYR 13 -14.496 -3.490 2.887 74 HH TYR 13 HH TYR 13 -15.489 -1.648 0.920 75 H GLU 14 H GLU 14 -6.827 -4.679 0.611 76 HA GLU 14 HA GLU 14 -5.555 -5.194 3.201 77 HB2 GLU 14 1HB GLU 14 -6.014 -7.329 1.797 78 HB3 GLU 14 2HB GLU 14 -4.702 -6.751 0.780 79 HG2 GLU 14 1HG GLU 14 -3.335 -6.624 2.937 80 HG3 GLU 14 2HG GLU 14 -4.608 -7.616 3.644 81 H CYS 15 H CYS 15 -3.267 -4.742 3.233 82 HA CYS 15 HA CYS 15 -2.609 -2.485 1.548 83 HB2 CYS 15 1HB CYS 15 -2.144 -2.464 3.986 84 HB3 CYS 15 2HB CYS 15 -0.995 -3.778 3.757 85 H LYS 16 H LYS 16 -1.490 -2.608 -0.272 86 HA LYS 16 HA LYS 16 -0.186 -5.100 -1.001 87 HB2 LYS 16 1HB LYS 16 -0.950 -2.601 -2.469 88 HB3 LYS 16 2HB LYS 16 0.232 -3.698 -3.170 89 HG2 LYS 16 1HG LYS 16 -1.494 -5.529 -2.853 90 HG3 LYS 16 2HG LYS 16 -2.649 -4.235 -2.523 91 HD2 LYS 16 1HD LYS 16 -2.536 -3.409 -4.685 92 HD3 LYS 16 2HD LYS 16 -0.959 -4.141 -4.991 93 HE2 LYS 16 1HE LYS 16 -2.125 -6.384 -4.828 94 HE3 LYS 16 2HE LYS 16 -3.646 -5.492 -4.870 95 HZ1 LYS 16 3HZ LYS 16 -1.681 -4.918 -6.956 96 HZ2 LYS 16 1HZ LYS 16 -3.371 -4.938 -7.038 97 HZ3 LYS 16 2HZ LYS 16 -2.507 -6.392 -7.049 98 H GLU 17 H GLU 17 1.020 -3.581 1.115 99 HA GLU 17 HA GLU 17 3.605 -2.972 -0.155 100 HB2 GLU 17 1HB GLU 17 2.624 -1.592 2.336 101 HB3 GLU 17 2HB GLU 17 3.988 -1.154 1.317 102 HG2 GLU 17 1HG GLU 17 2.120 -0.877 -0.507 103 HG3 GLU 17 2HG GLU 17 1.084 -0.683 0.905 104 H CYS 18 H CYS 18 1.896 -4.144 2.693 105 HA CYS 18 HA CYS 18 4.335 -5.602 3.466 106 HB2 CYS 18 1HB CYS 18 3.651 -5.354 5.831 107 HB3 CYS 18 2HB CYS 18 3.984 -3.804 5.065 108 H GLY 19 H GLY 19 0.797 -5.509 3.546 109 HA2 GLY 19 1HA GLY 19 -0.370 -7.524 2.788 110 HA3 GLY 19 2HA GLY 19 0.830 -8.461 3.666 111 H LYS 20 H LYS 20 -1.592 -5.914 4.250 112 HA LYS 20 HA LYS 20 -2.426 -7.394 6.649 113 HB2 LYS 20 1HB LYS 20 -0.955 -5.336 7.115 114 HB3 LYS 20 2HB LYS 20 -2.337 -4.386 6.583 115 HG2 LYS 20 1HG LYS 20 -3.636 -5.024 8.393 116 HG3 LYS 20 2HG LYS 20 -2.647 -6.447 8.727 117 HD2 LYS 20 1HD LYS 20 -0.811 -4.999 9.452 118 HD3 LYS 20 2HD LYS 20 -1.799 -3.575 9.113 119 HE2 LYS 20 1HE LYS 20 -3.493 -4.729 10.733 120 HE3 LYS 20 2HE LYS 20 -2.068 -5.605 11.290 121 HZ1 LYS 20 3HZ LYS 20 -2.038 -2.663 11.093 122 HZ2 LYS 20 1HZ LYS 20 -1.077 -3.674 12.050 123 HZ3 LYS 20 2HZ LYS 20 -2.702 -3.425 12.450 124 H ALA 21 H ALA 21 -4.514 -7.869 6.584 125 HA ALA 21 HA ALA 21 -6.243 -6.442 4.709 126 HB1 ALA 21 3HB ALA 21 -7.615 -8.301 4.680 127 HB2 ALA 21 1HB ALA 21 -6.022 -9.020 4.914 128 HB3 ALA 21 2HB ALA 21 -7.112 -8.828 6.287 129 H PHE 22 H PHE 22 -8.024 -5.289 5.298 130 HA PHE 22 HA PHE 22 -8.612 -5.079 8.174 131 HB2 PHE 22 1HB PHE 22 -8.597 -2.757 6.237 132 HB3 PHE 22 2HB PHE 22 -8.888 -2.683 7.972 133 HD1 PHE 22 HD1 PHE 22 -6.363 -3.088 5.358 134 HD2 PHE 22 HD2 PHE 22 -7.072 -2.828 9.547 135 HE1 PHE 22 HE1 PHE 22 -3.958 -2.738 5.739 136 HE2 PHE 22 HE2 PHE 22 -4.668 -2.477 9.935 137 HZ PHE 22 HZ PHE 22 -3.107 -2.431 8.030 138 H SER 23 H SER 23 -10.757 -4.724 8.736 139 HA SER 23 HA SER 23 -12.678 -5.552 6.729 140 HB2 SER 23 1HB SER 23 -14.268 -5.430 8.745 141 HB3 SER 23 2HB SER 23 -12.985 -6.639 8.803 142 HG SER 23 HG SER 23 -13.070 -4.127 10.112 143 H GLN 24 H GLN 24 -11.389 -2.665 7.599 144 HA GLN 24 HA GLN 24 -13.824 -1.218 6.797 145 HB2 GLN 24 1HB GLN 24 -11.942 -0.671 9.050 146 HB3 GLN 24 2HB GLN 24 -12.687 0.691 8.224 147 HG2 GLN 24 1HG GLN 24 -14.323 -1.578 9.296 148 HG3 GLN 24 2HG GLN 24 -13.833 -0.224 10.312 149 HE21 GLN 24 1HE2 GLN 24 -16.186 -1.386 8.292 150 HE22 GLN 24 2HE2 GLN 24 -17.010 0.093 7.946 151 H THR 25 H THR 25 -13.528 -0.313 4.881 152 HA THR 25 HA THR 25 -11.245 -0.164 3.404 153 HB THR 25 HB THR 25 -12.308 1.771 2.179 154 HG1 THR 25 HG1 THR 25 -13.491 2.766 3.774 155 HG21 THR 25 3HG2 THR 25 -13.900 0.419 1.138 156 HG22 THR 25 1HG2 THR 25 -14.325 -0.402 2.639 157 HG23 THR 25 2HG2 THR 25 -12.785 -0.747 1.850 158 H THR 26 H THR 26 -12.526 2.424 5.486 159 HA THR 26 HA THR 26 -10.547 4.323 5.027 160 HB THR 26 HB THR 26 -12.501 4.995 6.217 161 HG1 THR 26 HG1 THR 26 -11.434 5.767 8.263 162 HG21 THR 26 3HG2 THR 26 -13.077 2.884 7.274 163 HG22 THR 26 1HG2 THR 26 -13.017 4.165 8.484 164 HG23 THR 26 2HG2 THR 26 -11.685 3.017 8.349 165 H HIS 27 H HIS 27 -10.563 1.536 7.161 166 HA HIS 27 HA HIS 27 -8.328 2.172 8.728 167 HB2 HIS 27 1HB HIS 27 -10.045 0.236 8.961 168 HB3 HIS 27 2HB HIS 27 -8.953 -0.648 7.899 169 HD1 HIS 27 HD1 HIS 27 -9.435 -1.608 10.771 170 HD2 HIS 27 HD2 HIS 27 -6.326 0.912 9.656 171 HE1 HIS 27 HE1 HIS 27 -7.672 -1.891 12.542 172 H LEU 28 H LEU 28 -8.570 0.393 5.665 173 HA LEU 28 HA LEU 28 -5.850 -0.257 5.425 174 HB2 LEU 28 1HB LEU 28 -7.594 -1.310 4.089 175 HB3 LEU 28 2HB LEU 28 -7.905 0.219 3.271 176 HG LEU 28 HG LEU 28 -5.694 0.127 2.240 177 HD11 LEU 28 1HD1 LEU 28 -4.613 -1.134 4.102 178 HD12 LEU 28 2HD1 LEU 28 -4.232 -1.742 2.491 179 HD13 LEU 28 3HD1 LEU 28 -5.402 -2.592 3.500 180 HD21 LEU 28 3HD2 LEU 28 -7.869 -1.245 1.483 181 HD22 LEU 28 1HD2 LEU 28 -6.726 -2.577 1.653 182 HD23 LEU 28 2HD2 LEU 28 -6.363 -1.237 0.565 183 H ILE 29 H ILE 29 -7.694 2.478 4.095 184 HA ILE 29 HA ILE 29 -5.576 3.722 2.755 185 HB ILE 29 HB ILE 29 -7.948 5.078 4.042 186 HG12 ILE 29 1HG1 ILE 29 -7.758 4.242 1.160 187 HG13 ILE 29 2HG1 ILE 29 -8.341 3.120 2.385 188 HG21 ILE 29 1HG2 ILE 29 -6.098 6.573 3.349 189 HG22 ILE 29 2HG2 ILE 29 -6.256 5.953 1.706 190 HG23 ILE 29 3HG2 ILE 29 -7.587 6.844 2.445 191 HD11 ILE 29 3HD1 ILE 29 -9.846 4.947 0.976 192 HD12 ILE 29 1HD1 ILE 29 -10.339 4.079 2.430 193 HD13 ILE 29 2HD1 ILE 29 -9.647 5.697 2.560 194 H GLN 30 H GLN 30 -6.724 4.063 6.085 195 HA GLN 30 HA GLN 30 -4.893 6.142 6.762 196 HB2 GLN 30 1HB GLN 30 -6.741 4.357 8.296 197 HB3 GLN 30 2HB GLN 30 -5.525 5.287 9.163 198 HG2 GLN 30 1HG GLN 30 -7.551 6.482 7.289 199 HG3 GLN 30 2HG GLN 30 -7.749 6.376 9.037 200 HE21 GLN 30 1HE2 GLN 30 -6.644 7.762 10.352 201 HE22 GLN 30 2HE2 GLN 30 -5.718 9.096 9.764 202 H HIS 31 H HIS 31 -4.814 2.649 6.860 203 HA HIS 31 HA HIS 31 -2.619 2.311 8.581 204 HB2 HIS 31 1HB HIS 31 -3.778 0.341 8.178 205 HB3 HIS 31 2HB HIS 31 -3.890 0.639 6.446 206 HD1 HIS 31 HD1 HIS 31 -1.438 -0.532 9.064 207 HD2 HIS 31 HD2 HIS 31 -1.879 -0.471 4.933 208 HE1 HIS 31 HE1 HIS 31 0.416 -1.977 8.168 209 H GLN 32 H GLN 32 -2.785 2.619 5.048 210 HA GLN 32 HA GLN 32 -0.176 2.189 4.348 211 HB2 GLN 32 1HB GLN 32 -2.033 4.311 3.259 212 HB3 GLN 32 2HB GLN 32 -0.552 3.775 2.476 213 HG2 GLN 32 1HG GLN 32 -2.688 1.805 3.164 214 HG3 GLN 32 2HG GLN 32 -2.826 2.807 1.719 215 HE21 GLN 32 1HE2 GLN 32 -2.807 0.521 0.846 216 HE22 GLN 32 2HE2 GLN 32 -1.266 -0.119 0.398 217 H ARG 33 H ARG 33 -1.457 4.807 6.193 218 HA ARG 33 HA ARG 33 0.446 6.792 5.776 219 HB2 ARG 33 1HB ARG 33 -1.078 6.074 8.284 220 HB3 ARG 33 2HB ARG 33 -0.139 7.548 8.091 221 HG2 ARG 33 1HG ARG 33 -1.593 8.068 6.096 222 HG3 ARG 33 2HG ARG 33 -2.622 6.731 6.614 223 HD2 ARG 33 1HD ARG 33 -3.530 8.772 7.484 224 HD3 ARG 33 2HD ARG 33 -2.857 7.842 8.823 225 HE ARG 33 HE ARG 33 -0.861 9.558 7.970 226 HH11 ARG 33 1HH1 ARG 33 -4.066 9.808 9.305 227 HH12 ARG 33 2HH1 ARG 33 -3.761 11.321 10.094 228 HH21 ARG 33 1HH2 ARG 33 -0.447 11.549 9.003 229 HH22 ARG 33 2HH2 ARG 33 -1.702 12.310 9.920 230 H VAL 34 H VAL 34 0.499 4.030 7.990 231 HA VAL 34 HA VAL 34 2.803 4.623 9.417 232 HB VAL 34 HB VAL 34 2.961 2.312 9.976 233 HG11 VAL 34 1HG1 VAL 34 0.387 3.644 9.885 234 HG12 VAL 34 2HG1 VAL 34 0.228 1.887 9.925 235 HG13 VAL 34 3HG1 VAL 34 1.135 2.721 11.187 236 HG21 VAL 34 3HG2 VAL 34 1.248 0.792 8.577 237 HG22 VAL 34 1HG2 VAL 34 1.723 1.935 7.321 238 HG23 VAL 34 2HG2 VAL 34 2.948 0.975 8.149 239 H HIS 35 H HIS 35 2.441 3.595 6.136 240 HA HIS 35 HA HIS 35 5.225 2.820 5.864 241 HB2 HIS 35 1HB HIS 35 2.937 2.967 3.899 242 HB3 HIS 35 2HB HIS 35 4.578 2.526 3.434 243 HD1 HIS 35 HD1 HIS 35 5.513 0.432 5.116 244 HD2 HIS 35 HD2 HIS 35 1.443 0.776 4.356 245 HE1 HIS 35 HE1 HIS 35 4.542 -1.834 5.614 246 H THR 36 H THR 36 4.076 5.660 6.401 247 HA THR 36 HA THR 36 4.885 7.211 4.141 248 HB THR 36 HB THR 36 3.208 7.992 5.817 249 HG1 THR 36 HG1 THR 36 3.783 9.820 4.932 250 HG21 THR 36 3HG2 THR 36 3.943 8.890 7.935 251 HG22 THR 36 1HG2 THR 36 5.620 8.487 7.566 252 HG23 THR 36 2HG2 THR 36 4.441 7.201 7.825 253 H GLY 37 H GLY 37 6.366 6.378 7.252 254 HA2 GLY 37 1HA GLY 37 8.703 7.969 6.830 255 HA3 GLY 37 2HA GLY 37 8.496 6.730 8.059 256 H GLU 38 H GLU 38 10.883 7.150 6.621 257 HA GLU 38 HA GLU 38 11.015 5.053 4.612 258 HB2 GLU 38 1HB GLU 38 12.235 7.331 4.526 259 HB3 GLU 38 2HB GLU 38 13.366 6.606 5.660 260 HG2 GLU 38 1HG GLU 38 13.899 4.865 4.071 261 HG3 GLU 38 2HG GLU 38 12.699 5.495 2.944 262 H LYS 39 H LYS 39 10.395 3.433 6.289 263 HA LYS 39 HA LYS 39 12.798 2.174 7.315 264 HB2 LYS 39 1HB LYS 39 10.488 2.886 9.133 265 HB3 LYS 39 2HB LYS 39 11.836 1.845 9.573 266 HG2 LYS 39 1HG LYS 39 12.244 4.676 8.668 267 HG3 LYS 39 2HG LYS 39 11.921 4.261 10.353 268 HD2 LYS 39 1HD LYS 39 13.877 2.631 10.142 269 HD3 LYS 39 2HD LYS 39 14.272 3.485 8.648 270 HE2 LYS 39 1HE LYS 39 13.898 4.905 11.272 271 HE3 LYS 39 2HE LYS 39 15.455 4.253 10.765 272 HZ1 LYS 39 3HZ LYS 39 14.456 5.719 8.630 273 HZ2 LYS 39 1HZ LYS 39 15.773 6.104 9.621 274 HZ3 LYS 39 2HZ LYS 39 14.228 6.674 10.008 275 HA PRO 40 HA PRO 40 10.611 -1.392 5.928 276 HB2 PRO 40 1HB PRO 40 12.075 -3.291 7.202 277 HB3 PRO 40 2HB PRO 40 12.667 -2.408 5.790 278 HG2 PRO 40 1HG PRO 40 13.239 -1.942 8.691 279 HG3 PRO 40 2HG PRO 40 14.354 -1.915 7.313 280 HD2 PRO 40 1HD PRO 40 13.358 0.343 8.426 281 HD3 PRO 40 2HD PRO 40 13.739 0.219 6.697 282 H SER 41 H SER 41 10.688 -0.328 9.140 283 HA SER 41 HA SER 41 9.655 -2.323 10.685 284 HB2 SER 41 1HB SER 41 8.613 -0.609 12.054 285 HB3 SER 41 2HB SER 41 10.166 -0.013 11.469 286 HG SER 41 HG SER 41 7.862 0.525 9.971 287 H GLY 42 H GLY 42 7.949 -3.615 10.546 288 HA2 GLY 42 1HA GLY 42 5.321 -2.899 10.153 289 HA3 GLY 42 2HA GLY 42 5.944 -3.232 8.544 290 HA PRO 43 HA PRO 43 4.897 -7.162 11.142 291 HB2 PRO 43 1HB PRO 43 2.239 -7.447 10.669 292 HB3 PRO 43 2HB PRO 43 2.878 -6.590 12.077 293 HG2 PRO 43 1HG PRO 43 1.846 -5.484 9.494 294 HG3 PRO 43 2HG PRO 43 1.557 -4.917 11.149 295 HD2 PRO 43 1HD PRO 43 3.352 -3.741 9.498 296 HD3 PRO 43 2HD PRO 43 3.578 -3.813 11.257 297 H SER 44 H SER 44 5.472 -8.870 9.968 298 HA SER 44 HA SER 44 4.903 -8.924 7.114 299 HB2 SER 44 1HB SER 44 6.437 -10.910 7.129 300 HB3 SER 44 2HB SER 44 7.177 -9.431 7.741 301 HG SER 44 HG SER 44 6.728 -11.795 9.006 302 H SER 45 H SER 45 4.414 -10.996 9.959 303 HA SER 45 HA SER 45 2.973 -13.016 8.619 304 HB2 SER 45 1HB SER 45 2.261 -13.722 10.876 305 HB3 SER 45 2HB SER 45 3.991 -13.387 10.815 306 HG SER 45 HG SER 45 3.343 -12.318 12.582 307 H GLY 46 H GLY 46 0.659 -13.551 9.067 308 HA2 GLY 46 1HA GLY 46 -1.492 -12.507 9.842 309 HA3 GLY 46 2HA GLY 46 -0.966 -11.086 8.953
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