NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
25824 | 2kcf | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -12.015 6.640 3.575 2 H2 GLY 1 H2 GLY 1 -12.350 7.530 2.226 3 H3 GLY 1 H3 GLY 1 -11.924 5.955 2.068 4 HA2 GLY 1 HA1 GLY 1 -10.140 7.972 3.235 5 HA3 GLY 1 HA2 GLY 1 -9.717 6.339 2.671 6 H SER 2 HN SER 2 -8.303 6.777 0.973 7 HA SER 2 HA SER 2 -9.114 8.806 -1.017 8 HB2 SER 2 HB2 SER 2 -6.290 8.074 -0.207 9 HB3 SER 2 HB3 SER 2 -6.854 9.474 -1.138 10 HG SER 2 HG SER 2 -6.480 10.160 0.905 11 H LYS 3 HN LYS 3 -10.210 7.024 -2.079 12 HA LYS 3 HA LYS 3 -10.487 5.765 -3.861 13 HB2 LYS 3 HB2 LYS 3 -8.641 7.448 -4.692 14 HB3 LYS 3 HB3 LYS 3 -7.617 6.011 -4.746 15 HG2 LYS 3 HG2 LYS 3 -9.300 4.926 -6.266 16 HG3 LYS 3 HG3 LYS 3 -10.290 6.397 -6.165 17 HD2 LYS 3 HD2 LYS 3 -8.394 7.712 -7.117 18 HD3 LYS 3 HD3 LYS 3 -7.483 6.211 -7.303 19 HE2 LYS 3 HE2 LYS 3 -10.169 6.050 -8.516 20 HE3 LYS 3 HE3 LYS 3 -9.235 7.397 -9.158 21 HZ1 LYS 3 HZ1 LYS 3 -8.313 4.589 -9.088 22 HZ2 LYS 3 HZ2 LYS 3 -8.810 5.388 -10.432 23 HZ3 LYS 3 HZ3 LYS 3 -7.449 5.872 -9.667 24 H LEU 4 HN LEU 4 -7.646 4.763 -1.972 25 HA LEU 4 HA LEU 4 -7.537 2.080 -3.016 26 HB2 LEU 4 HB2 LEU 4 -6.521 3.377 -0.488 27 HB3 LEU 4 HB3 LEU 4 -6.237 1.664 -0.841 28 HG LEU 4 HG LEU 4 -5.298 3.887 -2.676 29 HD11 LEU 4 1HD1 LEU 4 -3.645 2.386 -0.571 30 HD12 LEU 4 2HD1 LEU 4 -3.076 3.647 -1.667 31 HD13 LEU 4 3HD1 LEU 4 -4.247 4.046 -0.401 32 HD21 LEU 4 3HD2 LEU 4 -4.303 1.061 -2.257 33 HD22 LEU 4 1HD2 LEU 4 -5.461 1.482 -3.533 34 HD23 LEU 4 2HD2 LEU 4 -3.840 2.176 -3.560 35 HA PRO 5 HA PRO 5 -10.988 0.413 -0.512 36 HB2 PRO 5 HB2 PRO 5 -10.379 -2.289 -0.821 37 HB3 PRO 5 HB3 PRO 5 -11.246 -1.299 -2.014 38 HG2 PRO 5 HG2 PRO 5 -8.483 -2.355 -2.080 39 HG3 PRO 5 HG3 PRO 5 -9.514 -1.832 -3.433 40 HD2 PRO 5 HD2 PRO 5 -7.401 -0.313 -2.190 41 HD3 PRO 5 HD3 PRO 5 -8.517 0.210 -3.431 42 HA PRO 6 HA PRO 6 -8.894 -1.226 3.235 43 HB2 PRO 6 HB2 PRO 6 -10.633 -3.048 4.260 44 HB3 PRO 6 HB3 PRO 6 -10.989 -1.293 4.311 45 HG2 PRO 6 HG2 PRO 6 -11.966 -3.341 2.295 46 HG3 PRO 6 HG3 PRO 6 -12.932 -2.112 3.174 47 HD2 PRO 6 HD2 PRO 6 -11.987 -1.753 0.626 48 HD3 PRO 6 HD3 PRO 6 -12.175 -0.397 1.757 49 H GLY 7 HN GLY 7 -8.026 -3.514 3.973 50 HA2 GLY 7 HA1 GLY 7 -7.619 -5.840 3.275 51 HA3 GLY 7 HA2 GLY 7 -7.735 -5.342 1.617 52 H TRP 8 HN TRP 8 -5.891 -3.232 3.860 53 HA TRP 8 HA TRP 8 -3.506 -3.908 2.199 54 HB2 TRP 8 HB2 TRP 8 -4.767 -1.258 2.945 55 HB3 TRP 8 HB3 TRP 8 -3.165 -1.417 2.261 56 HD1 TRP 8 HD1 TRP 8 -6.836 -2.362 1.197 57 HE1 TRP 8 HE1 TRP 8 -7.091 -1.973 -1.200 58 HE3 TRP 8 HE3 TRP 8 -2.040 -1.081 0.094 59 HZ2 TRP 8 HZ2 TRP 8 -5.446 -1.428 -3.467 60 HZ3 TRP 8 HZ3 TRP 8 -1.351 -0.749 -2.293 61 HH2 TRP 8 HH2 TRP 8 -3.037 -1.011 -4.115 62 H GLU 9 HN GLU 9 -1.535 -3.338 2.896 63 HA GLU 9 HA GLU 9 -0.938 -3.066 5.791 64 HB2 GLU 9 HB2 GLU 9 0.859 -4.236 3.638 65 HB3 GLU 9 HB3 GLU 9 0.998 -4.385 5.384 66 HG2 GLU 9 HG2 GLU 9 -0.918 -5.796 3.497 67 HG3 GLU 9 HG3 GLU 9 0.307 -6.506 4.541 68 H LYS 10 HN LYS 10 1.279 -1.906 6.058 69 HA LYS 10 HA LYS 10 1.821 0.028 3.842 70 HB2 LYS 10 HB2 LYS 10 2.560 0.602 6.705 71 HB3 LYS 10 HB3 LYS 10 2.470 1.692 5.329 72 HG2 LYS 10 HG2 LYS 10 0.196 0.482 6.894 73 HG3 LYS 10 HG3 LYS 10 0.702 2.190 6.797 74 HD2 LYS 10 HD2 LYS 10 -0.566 2.589 5.117 75 HD3 LYS 10 HD3 LYS 10 0.026 1.198 4.201 76 HE2 LYS 10 HE2 LYS 10 -2.357 1.217 4.359 77 HE3 LYS 10 HE3 LYS 10 -1.640 -0.224 5.086 78 HZ1 LYS 10 HZ1 LYS 10 -3.417 0.719 6.423 79 HZ2 LYS 10 HZ2 LYS 10 -2.019 0.702 7.254 80 HZ3 LYS 10 HZ3 LYS 10 -2.565 2.128 6.648 81 H ARG 11 HN ARG 11 3.030 -1.505 2.850 82 HA ARG 11 HA ARG 11 5.146 -3.000 4.255 83 HB2 ARG 11 HB2 ARG 11 3.901 -2.967 1.499 84 HB3 ARG 11 HB3 ARG 11 5.516 -3.630 1.678 85 HG2 ARG 11 HG2 ARG 11 3.355 -4.555 3.598 86 HG3 ARG 11 HG3 ARG 11 3.408 -5.206 1.966 87 HD2 ARG 11 HD2 ARG 11 5.778 -5.264 3.845 88 HD3 ARG 11 HD3 ARG 11 4.637 -6.599 3.623 89 HE ARG 11 HE ARG 11 5.299 -6.243 1.077 90 HH11 ARG 11 2HH2 ARG 11 7.344 -6.754 3.894 91 HH12 ARG 11 1HH2 ARG 11 8.762 -7.123 2.989 92 HH21 ARG 11 2HH1 ARG 11 7.037 -6.801 -0.117 93 HH22 ARG 11 1HH1 ARG 11 8.606 -7.133 0.602 94 H MET 12 HN MET 12 7.402 -2.813 3.076 95 HA MET 12 HA MET 12 7.843 -0.037 2.117 96 HB2 MET 12 HB2 MET 12 9.636 -1.644 3.962 97 HB3 MET 12 HB3 MET 12 10.193 -0.264 2.995 98 HG2 MET 12 HG2 MET 12 8.413 1.155 3.984 99 HG3 MET 12 HG3 MET 12 7.926 -0.201 5.004 100 HE1 MET 12 HE1 MET 12 9.286 1.881 7.816 101 HE2 MET 12 HE2 MET 12 8.222 2.346 6.468 102 HE3 MET 12 HE3 MET 12 8.040 0.754 7.244 103 H SER 13 HN SER 13 9.222 0.188 0.485 104 HA SER 13 HA SER 13 9.158 -1.955 -1.480 105 HB2 SER 13 HB2 SER 13 8.584 0.429 -1.908 106 HB3 SER 13 HB3 SER 13 10.274 0.872 -1.641 107 HG SER 13 HG SER 13 9.308 0.345 -3.886 108 H ARG 14 HN ARG 14 11.760 -0.940 -2.648 109 HA ARG 14 HA ARG 14 13.286 -3.100 -2.145 110 HB2 ARG 14 HB2 ARG 14 13.611 -0.946 -3.749 111 HB3 ARG 14 HB3 ARG 14 14.911 -0.611 -2.618 112 HG2 ARG 14 HG2 ARG 14 14.563 -3.329 -3.944 113 HG3 ARG 14 HG3 ARG 14 15.368 -2.010 -4.782 114 HD2 ARG 14 HD2 ARG 14 17.217 -2.011 -3.406 115 HD3 ARG 14 HD3 ARG 14 16.358 -2.738 -2.041 116 HE ARG 14 HE ARG 14 16.369 -4.599 -4.186 117 HH11 ARG 14 2HH2 ARG 14 18.720 -3.140 -1.960 118 HH12 ARG 14 1HH2 ARG 14 19.566 -4.626 -1.683 119 HH21 ARG 14 2HH1 ARG 14 17.444 -6.510 -3.834 120 HH22 ARG 14 1HH1 ARG 14 18.766 -6.651 -2.712 121 H SER 15 HN SER 15 13.443 -0.199 -0.232 122 HA SER 15 HA SER 15 13.601 -1.551 2.097 123 HB2 SER 15 HB2 SER 15 16.248 -0.319 1.233 124 HB3 SER 15 HB3 SER 15 15.747 -0.304 2.938 125 HG SER 15 HG SER 15 15.809 -2.697 1.467 126 H SER 16 HN SER 16 15.357 1.464 1.835 127 HA SER 16 HA SER 16 13.577 3.097 3.182 128 HB2 SER 16 HB2 SER 16 15.082 4.876 1.939 129 HB3 SER 16 HB3 SER 16 15.776 3.774 3.135 130 HG SER 16 HG SER 16 16.837 2.711 1.678 131 H GLY 17 HN GLY 17 13.415 2.109 -0.156 132 HA2 GLY 17 HA1 GLY 17 12.798 3.943 -1.817 133 HA3 GLY 17 HA2 GLY 17 11.744 2.541 -1.732 134 H ARG 18 HN ARG 18 9.951 2.719 -0.079 135 HA ARG 18 HA ARG 18 8.833 5.123 0.929 136 HB2 ARG 18 HB2 ARG 18 7.617 3.842 -1.581 137 HB3 ARG 18 HB3 ARG 18 6.681 4.834 -0.498 138 HG2 ARG 18 HG2 ARG 18 8.799 6.548 -1.070 139 HG3 ARG 18 HG3 ARG 18 8.618 5.672 -2.591 140 HD2 ARG 18 HD2 ARG 18 7.243 7.571 -2.832 141 HD3 ARG 18 HD3 ARG 18 6.099 6.312 -2.405 142 HE ARG 18 HE ARG 18 5.676 7.308 -0.395 143 HH11 ARG 18 2HH2 ARG 18 8.545 8.882 -1.820 144 HH12 ARG 18 1HH2 ARG 18 8.512 10.230 -0.739 145 HH21 ARG 18 2HH1 ARG 18 5.621 9.116 1.004 146 HH22 ARG 18 1HH1 ARG 18 6.807 10.372 0.914 147 H VAL 19 HN VAL 19 6.711 4.688 1.865 148 HA VAL 19 HA VAL 19 6.451 1.877 2.560 149 HB VAL 19 HB VAL 19 6.779 3.801 4.187 150 HG11 VAL 19 1HG1 VAL 19 4.909 4.941 5.118 151 HG12 VAL 19 2HG1 VAL 19 4.918 5.294 3.378 152 HG13 VAL 19 3HG1 VAL 19 3.761 4.123 4.061 153 HG21 VAL 19 3HG2 VAL 19 6.262 1.519 4.895 154 HG22 VAL 19 1HG2 VAL 19 5.307 2.629 5.886 155 HG23 VAL 19 2HG2 VAL 19 4.551 1.744 4.536 156 H TYR 20 HN TYR 20 6.002 1.926 0.120 157 HA TYR 20 HA TYR 20 3.462 2.776 -0.890 158 HB2 TYR 20 HB2 TYR 20 3.733 1.253 -2.667 159 HB3 TYR 20 HB3 TYR 20 5.287 1.997 -2.383 160 HD1 TYR 20 HD1 TYR 20 5.894 0.053 0.065 161 HD2 TYR 20 HD2 TYR 20 4.780 -0.524 -4.035 162 HE1 TYR 20 HE1 TYR 20 6.493 -2.313 0.235 163 HE2 TYR 20 HE2 TYR 20 5.491 -2.908 -3.868 164 HH TYR 20 HH TYR 20 6.887 -4.231 -0.852 165 H TYR 21 HN TYR 21 1.452 1.958 -0.472 166 HA TYR 21 HA TYR 21 1.261 0.013 1.730 167 HB2 TYR 21 HB2 TYR 21 -0.919 1.220 -0.009 168 HB3 TYR 21 HB3 TYR 21 -1.145 0.234 1.437 169 HD1 TYR 21 HD1 TYR 21 1.567 2.308 2.389 170 HD2 TYR 21 HD2 TYR 21 -2.660 2.149 1.901 171 HE1 TYR 21 HE1 TYR 21 1.418 4.345 3.593 172 HE2 TYR 21 HE2 TYR 21 -2.841 4.112 3.500 173 HH TYR 21 HH TYR 21 -0.161 5.499 5.017 174 H PHE 22 HN PHE 22 0.176 -2.094 1.387 175 HA PHE 22 HA PHE 22 0.238 -3.109 -1.406 176 HB2 PHE 22 HB2 PHE 22 2.410 -3.691 -0.705 177 HB3 PHE 22 HB3 PHE 22 1.888 -4.020 0.929 178 HD1 PHE 22 HD1 PHE 22 0.582 -6.135 1.470 179 HD2 PHE 22 HD2 PHE 22 2.456 -5.443 -2.351 180 HE1 PHE 22 HE1 PHE 22 0.502 -8.563 0.992 181 HE2 PHE 22 HE2 PHE 22 2.433 -7.882 -2.800 182 HZ PHE 22 HZ PHE 22 1.447 -9.451 -1.124 183 H ASN 23 HN ASN 23 -1.584 -4.191 -1.777 184 HA ASN 23 HA ASN 23 -3.541 -4.707 0.343 185 HB2 ASN 23 HB2 ASN 23 -4.105 -3.994 -1.957 186 HB3 ASN 23 HB3 ASN 23 -3.521 -5.556 -2.557 187 HD21 ASN 23 1HD2 ASN 23 -6.180 -3.890 -0.846 188 HD22 ASN 23 2HD2 ASN 23 -7.310 -5.207 -1.080 189 H HIS 24 HN HIS 24 -4.203 -6.869 0.877 190 HA HIS 24 HA HIS 24 -2.093 -8.884 0.294 191 HB2 HIS 24 HB2 HIS 24 -2.812 -9.907 2.404 192 HB3 HIS 24 HB3 HIS 24 -2.289 -8.250 2.638 193 HD1 HIS 24 HD1 HIS 24 -3.890 -6.965 4.243 194 HD2 HIS 24 HD2 HIS 24 -5.781 -10.012 2.038 195 HE1 HIS 24 HE1 HIS 24 -6.444 -6.780 4.592 196 H ILE 25 HN ILE 25 -5.261 -8.251 -0.579 197 HA ILE 25 HA ILE 25 -6.113 -11.009 -1.038 198 HB ILE 25 HB ILE 25 -7.423 -8.389 -1.884 199 HG12 ILE 25 2HG1 ILE 25 -8.979 -9.173 0.216 200 HG13 ILE 25 3HG1 ILE 25 -7.491 -9.874 0.755 201 HG21 ILE 25 1HG2 ILE 25 -9.421 -9.737 -2.108 202 HG22 ILE 25 2HG2 ILE 25 -8.128 -10.367 -3.133 203 HG23 ILE 25 3HG2 ILE 25 -8.519 -11.188 -1.610 204 HD11 ILE 25 3HD1 ILE 25 -7.947 -6.967 -0.079 205 HD12 ILE 25 1HD1 ILE 25 -8.065 -7.571 1.574 206 HD13 ILE 25 2HD1 ILE 25 -6.501 -7.577 0.743 207 H THR 26 HN THR 26 -5.327 -8.057 -2.960 208 HA THR 26 HA THR 26 -4.994 -9.681 -5.354 209 HB THR 26 HB THR 26 -5.150 -7.469 -6.442 210 HG1 THR 26 HG1 THR 26 -5.263 -5.664 -5.231 211 HG21 THR 26 3HG2 THR 26 -7.317 -7.880 -4.316 212 HG22 THR 26 1HG2 THR 26 -7.481 -7.006 -5.848 213 HG23 THR 26 2HG2 THR 26 -7.211 -8.760 -5.855 214 H ASN 27 HN ASN 27 -3.117 -8.188 -3.094 215 HA ASN 27 HA ASN 27 -0.826 -7.819 -2.802 216 HB2 ASN 27 HB2 ASN 27 -0.310 -9.791 -4.949 217 HB3 ASN 27 HB3 ASN 27 0.598 -9.453 -3.451 218 HD21 ASN 27 1HD2 ASN 27 -1.391 -9.584 -1.501 219 HD22 ASN 27 2HD2 ASN 27 -2.036 -11.232 -1.507 220 H ALA 28 HN ALA 28 -2.213 -6.168 -4.863 221 HA ALA 28 HA ALA 28 0.040 -5.106 -6.438 222 HB1 ALA 28 HB1 ALA 28 -2.731 -3.989 -5.828 223 HB2 ALA 28 HB2 ALA 28 -1.564 -3.324 -6.981 224 HB3 ALA 28 HB3 ALA 28 -2.297 -4.910 -7.292 225 H SER 29 HN SER 29 0.511 -2.649 -5.977 226 HA SER 29 HA SER 29 0.219 -1.920 -3.174 227 HB2 SER 29 HB2 SER 29 2.752 -1.222 -3.316 228 HB3 SER 29 HB3 SER 29 2.322 -2.848 -2.841 229 HG SER 29 HG SER 29 2.791 -3.634 -4.806 230 H GLN 30 HN GLN 30 1.163 0.514 -2.864 231 HA GLN 30 HA GLN 30 0.802 2.248 -5.138 232 HB2 GLN 30 HB2 GLN 30 -1.609 1.057 -4.024 233 HB3 GLN 30 HB3 GLN 30 -1.633 2.757 -3.651 234 HG2 GLN 30 HG2 GLN 30 -1.005 1.862 -6.479 235 HG3 GLN 30 HG3 GLN 30 -2.666 1.884 -5.884 236 HE21 GLN 30 1HE2 GLN 30 -3.769 3.869 -5.830 237 HE22 GLN 30 2HE2 GLN 30 -2.950 5.438 -5.877 238 H TRP 31 HN TRP 31 0.058 4.542 -4.400 239 HA TRP 31 HA TRP 31 1.755 5.295 -2.119 240 HB2 TRP 31 HB2 TRP 31 0.501 6.980 -4.308 241 HB3 TRP 31 HB3 TRP 31 1.839 7.415 -3.276 242 HD1 TRP 31 HD1 TRP 31 1.371 6.904 -6.612 243 HE1 TRP 31 HE1 TRP 31 3.382 5.944 -7.877 244 HE3 TRP 31 HE3 TRP 31 3.928 4.916 -2.654 245 HZ2 TRP 31 HZ2 TRP 31 5.823 4.560 -7.233 246 HZ3 TRP 31 HZ3 TRP 31 6.107 3.808 -3.035 247 HH2 TRP 31 HH2 TRP 31 7.061 3.618 -5.321 248 H GLU 32 HN GLU 32 -1.629 5.322 -2.893 249 HA GLU 32 HA GLU 32 -2.368 7.734 -1.397 250 HB2 GLU 32 HB2 GLU 32 -3.751 5.616 -3.019 251 HB3 GLU 32 HB3 GLU 32 -4.701 6.489 -1.827 252 HG2 GLU 32 HG2 GLU 32 -4.900 7.616 -3.937 253 HG3 GLU 32 HG3 GLU 32 -4.028 8.647 -2.806 254 H ARG 33 HN ARG 33 -4.525 7.116 0.101 255 HA ARG 33 HA ARG 33 -3.699 4.931 1.869 256 HB2 ARG 33 HB2 ARG 33 -3.994 6.040 3.920 257 HB3 ARG 33 HB3 ARG 33 -2.939 6.985 2.904 258 HG2 ARG 33 HG2 ARG 33 -4.190 8.559 3.941 259 HG3 ARG 33 HG3 ARG 33 -5.018 8.462 2.389 260 HD2 ARG 33 HD2 ARG 33 -6.950 7.559 3.372 261 HD3 ARG 33 HD3 ARG 33 -6.037 6.714 4.624 262 HE ARG 33 HE ARG 33 -6.180 8.465 6.008 263 HH11 ARG 33 2HH2 ARG 33 -7.379 9.579 2.807 264 HH12 ARG 33 1HH2 ARG 33 -8.078 11.011 3.417 265 HH21 ARG 33 2HH1 ARG 33 -6.891 10.579 6.765 266 HH22 ARG 33 1HH1 ARG 33 -7.814 11.561 5.692 267 HA PRO 34 HA PRO 34 -8.030 3.945 1.356 268 HB2 PRO 34 HB2 PRO 34 -8.089 1.467 2.534 269 HB3 PRO 34 HB3 PRO 34 -7.486 1.802 0.909 270 HG2 PRO 34 HG2 PRO 34 -5.908 1.214 3.330 271 HG3 PRO 34 HG3 PRO 34 -5.574 0.829 1.623 272 HD2 PRO 34 HD2 PRO 34 -4.491 2.958 3.061 273 HD3 PRO 34 HD3 PRO 34 -4.523 2.807 1.303 274 H SER 35 HN SER 35 -9.870 3.748 2.677 275 HA SER 35 HA SER 35 -9.710 2.904 5.335 276 HB2 SER 35 HB2 SER 35 -9.048 5.382 5.644 277 HB3 SER 35 HB3 SER 35 -10.683 5.784 5.131 278 HG SER 35 HG SER 35 -11.440 5.132 6.948 279 H GLY 36 HN GLY 36 -10.981 1.388 4.010 280 HA2 GLY 36 HA1 GLY 36 -13.028 0.458 3.581 281 HA3 GLY 36 HA2 GLY 36 -13.829 1.939 4.102 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -10.115 5.070 1.373 2 H2 GLY 1 H2 GLY 1 -11.188 4.200 0.464 3 H3 GLY 1 H3 GLY 1 -10.075 5.138 -0.281 4 HA2 GLY 1 HA1 GLY 1 -12.324 6.059 1.368 5 HA3 GLY 1 HA2 GLY 1 -11.085 7.128 0.691 6 H SER 2 HN SER 2 -12.228 8.258 -0.973 7 HA SER 2 HA SER 2 -13.532 6.769 -3.120 8 HB2 SER 2 HB2 SER 2 -13.816 9.209 -3.066 9 HB3 SER 2 HB3 SER 2 -12.056 9.434 -3.186 10 HG SER 2 HG SER 2 -13.792 8.222 -5.098 11 H LYS 3 HN LYS 3 -12.406 5.054 -3.727 12 HA LYS 3 HA LYS 3 -10.931 3.776 -4.784 13 HB2 LYS 3 HB2 LYS 3 -8.901 6.020 -4.928 14 HB3 LYS 3 HB3 LYS 3 -8.929 4.545 -5.874 15 HG2 LYS 3 HG2 LYS 3 -10.752 5.274 -7.233 16 HG3 LYS 3 HG3 LYS 3 -11.182 6.571 -6.131 17 HD2 LYS 3 HD2 LYS 3 -8.600 7.324 -6.719 18 HD3 LYS 3 HD3 LYS 3 -9.067 6.504 -8.208 19 HE2 LYS 3 HE2 LYS 3 -9.633 8.810 -8.466 20 HE3 LYS 3 HE3 LYS 3 -11.156 7.949 -8.248 21 HZ1 LYS 3 HZ1 LYS 3 -10.958 10.026 -6.921 22 HZ2 LYS 3 HZ2 LYS 3 -11.234 8.735 -5.971 23 HZ3 LYS 3 HZ3 LYS 3 -9.718 9.383 -6.082 24 H LEU 4 HN LEU 4 -9.012 2.629 -4.275 25 HA LEU 4 HA LEU 4 -7.767 1.441 -3.038 26 HB2 LEU 4 HB2 LEU 4 -6.656 3.860 -2.974 27 HB3 LEU 4 HB3 LEU 4 -6.779 3.591 -1.250 28 HG LEU 4 HG LEU 4 -5.604 1.463 -3.133 29 HD11 LEU 4 1HD1 LEU 4 -4.081 3.729 -1.825 30 HD12 LEU 4 2HD1 LEU 4 -3.360 2.348 -2.641 31 HD13 LEU 4 3HD1 LEU 4 -4.318 3.500 -3.580 32 HD21 LEU 4 3HD2 LEU 4 -6.003 0.751 -0.823 33 HD22 LEU 4 1HD2 LEU 4 -4.256 0.982 -1.057 34 HD23 LEU 4 2HD2 LEU 4 -5.186 2.238 -0.260 35 HA PRO 5 HA PRO 5 -10.769 0.529 0.321 36 HB2 PRO 5 HB2 PRO 5 -10.692 -2.184 0.085 37 HB3 PRO 5 HB3 PRO 5 -11.437 -1.173 -1.200 38 HG2 PRO 5 HG2 PRO 5 -8.725 -2.459 -1.135 39 HG3 PRO 5 HG3 PRO 5 -9.882 -2.358 -2.496 40 HD2 PRO 5 HD2 PRO 5 -7.716 -0.598 -2.055 41 HD3 PRO 5 HD3 PRO 5 -9.142 -0.239 -3.069 42 HA PRO 6 HA PRO 6 -7.801 -1.096 3.469 43 HB2 PRO 6 HB2 PRO 6 -9.335 -2.464 5.240 44 HB3 PRO 6 HB3 PRO 6 -9.421 -0.678 5.094 45 HG2 PRO 6 HG2 PRO 6 -11.241 -2.716 3.782 46 HG3 PRO 6 HG3 PRO 6 -11.701 -1.307 4.782 47 HD2 PRO 6 HD2 PRO 6 -11.610 -1.218 2.043 48 HD3 PRO 6 HD3 PRO 6 -11.168 0.207 3.038 49 H GLY 7 HN GLY 7 -7.237 -3.375 4.365 50 HA2 GLY 7 HA1 GLY 7 -7.055 -5.771 3.810 51 HA3 GLY 7 HA2 GLY 7 -7.626 -5.418 2.211 52 H TRP 8 HN TRP 8 -5.344 -3.416 3.938 53 HA TRP 8 HA TRP 8 -3.233 -3.870 1.936 54 HB2 TRP 8 HB2 TRP 8 -4.799 -1.368 2.670 55 HB3 TRP 8 HB3 TRP 8 -3.190 -1.278 1.986 56 HD1 TRP 8 HD1 TRP 8 -6.649 -2.818 0.933 57 HE1 TRP 8 HE1 TRP 8 -6.929 -2.353 -1.505 58 HE3 TRP 8 HE3 TRP 8 -2.003 -1.054 -0.065 59 HZ2 TRP 8 HZ2 TRP 8 -5.326 -1.301 -3.693 60 HZ3 TRP 8 HZ3 TRP 8 -1.271 -0.711 -2.470 61 HH2 TRP 8 HH2 TRP 8 -2.971 -0.818 -4.273 62 H GLU 9 HN GLU 9 -1.184 -3.362 2.693 63 HA GLU 9 HA GLU 9 -0.917 -2.695 5.567 64 HB2 GLU 9 HB2 GLU 9 0.648 -4.768 3.970 65 HB3 GLU 9 HB3 GLU 9 0.852 -4.346 5.684 66 HG2 GLU 9 HG2 GLU 9 -1.622 -5.002 5.987 67 HG3 GLU 9 HG3 GLU 9 -1.540 -5.723 4.372 68 H LYS 10 HN LYS 10 1.023 -1.587 6.032 69 HA LYS 10 HA LYS 10 1.610 0.352 3.831 70 HB2 LYS 10 HB2 LYS 10 1.499 0.416 6.866 71 HB3 LYS 10 HB3 LYS 10 2.263 1.707 5.940 72 HG2 LYS 10 HG2 LYS 10 -0.103 2.160 6.541 73 HG3 LYS 10 HG3 LYS 10 0.277 2.284 4.829 74 HD2 LYS 10 HD2 LYS 10 -0.984 0.423 4.228 75 HD3 LYS 10 HD3 LYS 10 -1.080 -0.210 5.884 76 HE2 LYS 10 HE2 LYS 10 -2.221 2.478 5.175 77 HE3 LYS 10 HE3 LYS 10 -3.135 0.988 4.858 78 HZ1 LYS 10 HZ1 LYS 10 -2.133 1.863 7.497 79 HZ2 LYS 10 HZ2 LYS 10 -3.676 1.994 6.981 80 HZ3 LYS 10 HZ3 LYS 10 -3.044 0.515 7.245 81 H ARG 11 HN ARG 11 3.280 -0.744 2.770 82 HA ARG 11 HA ARG 11 5.117 -2.365 4.470 83 HB2 ARG 11 HB2 ARG 11 4.509 -2.358 1.513 84 HB3 ARG 11 HB3 ARG 11 5.802 -3.305 2.264 85 HG2 ARG 11 HG2 ARG 11 3.894 -4.290 3.780 86 HG3 ARG 11 HG3 ARG 11 2.809 -3.631 2.552 87 HD2 ARG 11 HD2 ARG 11 3.236 -5.850 1.852 88 HD3 ARG 11 HD3 ARG 11 4.279 -4.872 0.815 89 HE ARG 11 HE ARG 11 5.150 -6.292 3.306 90 HH11 ARG 11 2HH2 ARG 11 6.107 -5.162 0.003 91 HH12 ARG 11 1HH2 ARG 11 7.615 -5.975 0.093 92 HH21 ARG 11 2HH1 ARG 11 7.058 -7.462 3.235 93 HH22 ARG 11 1HH1 ARG 11 8.262 -7.140 2.025 94 H MET 12 HN MET 12 7.323 -2.090 4.296 95 HA MET 12 HA MET 12 8.199 0.519 3.167 96 HB2 MET 12 HB2 MET 12 9.522 -1.454 5.059 97 HB3 MET 12 HB3 MET 12 10.410 -0.125 4.300 98 HG2 MET 12 HG2 MET 12 9.092 1.536 5.345 99 HG3 MET 12 HG3 MET 12 7.837 0.398 5.822 100 HE1 MET 12 HE1 MET 12 9.051 -1.289 9.004 101 HE2 MET 12 HE2 MET 12 7.658 -0.788 8.028 102 HE3 MET 12 HE3 MET 12 8.857 -1.916 7.360 103 H SER 13 HN SER 13 8.210 0.260 1.123 104 HA SER 13 HA SER 13 8.806 -1.943 -0.543 105 HB2 SER 13 HB2 SER 13 7.876 0.628 -0.876 106 HB3 SER 13 HB3 SER 13 9.545 0.850 -1.390 107 HG SER 13 HG SER 13 7.527 -0.823 -2.459 108 H ARG 14 HN ARG 14 10.718 -2.390 -1.752 109 HA ARG 14 HA ARG 14 13.244 -1.771 -0.393 110 HB2 ARG 14 HB2 ARG 14 12.462 -4.063 -1.278 111 HB3 ARG 14 HB3 ARG 14 12.859 -3.465 -2.885 112 HG2 ARG 14 HG2 ARG 14 15.185 -3.425 -2.414 113 HG3 ARG 14 HG3 ARG 14 14.909 -3.243 -0.675 114 HD2 ARG 14 HD2 ARG 14 13.971 -5.582 -0.653 115 HD3 ARG 14 HD3 ARG 14 14.535 -5.758 -2.321 116 HE ARG 14 HE ARG 14 16.689 -5.912 -1.606 117 HH11 ARG 14 2HH2 ARG 14 14.691 -4.781 1.175 118 HH12 ARG 14 1HH2 ARG 14 15.799 -5.363 2.359 119 HH21 ARG 14 2HH1 ARG 14 18.187 -6.642 0.142 120 HH22 ARG 14 1HH1 ARG 14 17.790 -6.229 1.777 121 H SER 15 HN SER 15 14.469 -1.946 -3.222 122 HA SER 15 HA SER 15 15.608 -0.420 -4.418 123 HB2 SER 15 HB2 SER 15 13.181 -0.459 -5.392 124 HB3 SER 15 HB3 SER 15 13.103 1.213 -4.825 125 HG SER 15 HG SER 15 14.555 1.755 -6.277 126 H SER 16 HN SER 16 13.886 2.530 -3.666 127 HA SER 16 HA SER 16 16.129 3.446 -2.088 128 HB2 SER 16 HB2 SER 16 13.465 4.761 -2.678 129 HB3 SER 16 HB3 SER 16 14.907 5.540 -1.988 130 HG SER 16 HG SER 16 15.176 5.926 -4.085 131 H GLY 17 HN GLY 17 12.599 3.235 -1.265 132 HA2 GLY 17 HA1 GLY 17 12.393 2.069 1.138 133 HA3 GLY 17 HA2 GLY 17 13.350 3.500 1.576 134 H ARG 18 HN ARG 18 10.200 2.341 0.820 135 HA ARG 18 HA ARG 18 8.965 5.003 1.212 136 HB2 ARG 18 HB2 ARG 18 8.381 3.082 -1.133 137 HB3 ARG 18 HB3 ARG 18 7.418 4.462 -0.762 138 HG2 ARG 18 HG2 ARG 18 10.321 4.680 -1.724 139 HG3 ARG 18 HG3 ARG 18 8.938 4.610 -2.803 140 HD2 ARG 18 HD2 ARG 18 9.562 6.911 -2.535 141 HD3 ARG 18 HD3 ARG 18 7.993 6.648 -1.770 142 HE ARG 18 HE ARG 18 10.323 6.394 0.005 143 HH11 ARG 18 2HH2 ARG 18 8.281 8.856 -1.526 144 HH12 ARG 18 1HH2 ARG 18 8.208 9.880 -0.134 145 HH21 ARG 18 2HH1 ARG 18 10.214 7.721 1.897 146 HH22 ARG 18 1HH1 ARG 18 9.554 9.320 1.740 147 H VAL 19 HN VAL 19 6.900 4.938 1.687 148 HA VAL 19 HA VAL 19 5.946 2.301 2.578 149 HB VAL 19 HB VAL 19 6.239 4.142 4.124 150 HG11 VAL 19 1HG1 VAL 19 4.589 5.814 4.506 151 HG12 VAL 19 2HG1 VAL 19 5.252 6.010 2.873 152 HG13 VAL 19 3HG1 VAL 19 3.638 5.302 3.116 153 HG21 VAL 19 3HG2 VAL 19 4.067 3.530 5.348 154 HG22 VAL 19 1HG2 VAL 19 3.471 2.823 3.832 155 HG23 VAL 19 2HG2 VAL 19 4.897 2.127 4.639 156 H TYR 20 HN TYR 20 5.869 1.752 0.449 157 HA TYR 20 HA TYR 20 3.561 2.843 -1.117 158 HB2 TYR 20 HB2 TYR 20 3.839 1.319 -2.791 159 HB3 TYR 20 HB3 TYR 20 5.446 1.938 -2.500 160 HD1 TYR 20 HD1 TYR 20 5.613 -0.085 0.006 161 HD2 TYR 20 HD2 TYR 20 4.913 -0.473 -4.161 162 HE1 TYR 20 HE1 TYR 20 6.261 -2.502 0.141 163 HE2 TYR 20 HE2 TYR 20 5.382 -2.907 -4.032 164 HH TYR 20 HH TYR 20 5.605 -4.733 -2.519 165 H TYR 21 HN TYR 21 1.584 1.519 -1.099 166 HA TYR 21 HA TYR 21 1.431 -0.125 1.410 167 HB2 TYR 21 HB2 TYR 21 -0.816 1.122 -0.173 168 HB3 TYR 21 HB3 TYR 21 -0.927 0.115 1.280 169 HD1 TYR 21 HD1 TYR 21 1.750 2.704 1.470 170 HD2 TYR 21 HD2 TYR 21 -2.392 1.765 2.204 171 HE1 TYR 21 HE1 TYR 21 1.589 4.620 2.804 172 HE2 TYR 21 HE2 TYR 21 -2.517 3.787 3.681 173 HH TYR 21 HH TYR 21 0.110 6.155 3.731 174 H PHE 22 HN PHE 22 0.377 -2.229 1.134 175 HA PHE 22 HA PHE 22 0.324 -3.218 -1.664 176 HB2 PHE 22 HB2 PHE 22 2.467 -3.854 -0.836 177 HB3 PHE 22 HB3 PHE 22 1.770 -4.400 0.687 178 HD1 PHE 22 HD1 PHE 22 1.848 -5.159 -2.983 179 HD2 PHE 22 HD2 PHE 22 1.021 -6.648 0.981 180 HE1 PHE 22 HE1 PHE 22 1.744 -7.481 -3.869 181 HE2 PHE 22 HE2 PHE 22 0.888 -8.949 0.082 182 HZ PHE 22 HZ PHE 22 1.270 -9.377 -2.318 183 H ASN 23 HN ASN 23 -1.557 -3.947 -2.063 184 HA ASN 23 HA ASN 23 -3.650 -4.711 -0.161 185 HB2 ASN 23 HB2 ASN 23 -3.940 -3.762 -2.489 186 HB3 ASN 23 HB3 ASN 23 -3.376 -5.288 -3.149 187 HD21 ASN 23 1HD2 ASN 23 -6.205 -3.687 -3.111 188 HD22 ASN 23 2HD2 ASN 23 -7.233 -5.045 -2.747 189 H HIS 24 HN HIS 24 -4.099 -6.756 0.223 190 HA HIS 24 HA HIS 24 -2.130 -8.859 -0.564 191 HB2 HIS 24 HB2 HIS 24 -2.728 -9.911 1.508 192 HB3 HIS 24 HB3 HIS 24 -2.056 -8.296 1.757 193 HD1 HIS 24 HD1 HIS 24 -3.298 -6.995 3.596 194 HD2 HIS 24 HD2 HIS 24 -5.643 -9.907 1.667 195 HE1 HIS 24 HE1 HIS 24 -5.643 -6.898 4.610 196 H ILE 25 HN ILE 25 -5.451 -8.004 -0.753 197 HA ILE 25 HA ILE 25 -6.661 -10.610 -1.148 198 HB ILE 25 HB ILE 25 -7.575 -7.863 -2.038 199 HG12 ILE 25 2HG1 ILE 25 -8.847 -8.819 0.452 200 HG13 ILE 25 3HG1 ILE 25 -7.167 -8.599 0.671 201 HG21 ILE 25 1HG2 ILE 25 -9.128 -10.412 -1.560 202 HG22 ILE 25 2HG2 ILE 25 -9.844 -8.810 -1.880 203 HG23 ILE 25 3HG2 ILE 25 -8.840 -9.583 -3.104 204 HD11 ILE 25 3HD1 ILE 25 -8.760 -6.446 -0.692 205 HD12 ILE 25 1HD1 ILE 25 -8.692 -6.642 1.070 206 HD13 ILE 25 2HD1 ILE 25 -7.187 -6.351 0.143 207 H THR 26 HN THR 26 -5.547 -7.880 -3.183 208 HA THR 26 HA THR 26 -5.783 -9.595 -5.566 209 HB THR 26 HB THR 26 -5.814 -7.550 -6.824 210 HG1 THR 26 HG1 THR 26 -4.325 -6.353 -5.775 211 HG21 THR 26 1HG2 THR 26 -7.803 -6.477 -5.979 212 HG22 THR 26 2HG2 THR 26 -7.919 -8.198 -5.569 213 HG23 THR 26 3HG2 THR 26 -7.484 -7.016 -4.318 214 H ASN 27 HN ASN 27 -3.446 -8.820 -3.398 215 HA ASN 27 HA ASN 27 -1.191 -8.485 -3.312 216 HB2 ASN 27 HB2 ASN 27 -1.299 -10.587 -5.477 217 HB3 ASN 27 HB3 ASN 27 0.152 -10.087 -4.605 218 HD21 ASN 27 1HD2 ASN 27 -2.838 -11.990 -4.337 219 HD22 ASN 27 2HD2 ASN 27 -2.547 -12.477 -2.689 220 H ALA 28 HN ALA 28 -1.402 -6.231 -3.927 221 HA ALA 28 HA ALA 28 -0.030 -5.505 -6.430 222 HB1 ALA 28 HB1 ALA 28 -2.457 -5.503 -7.057 223 HB2 ALA 28 HB2 ALA 28 -2.801 -4.415 -5.684 224 HB3 ALA 28 HB3 ALA 28 -1.791 -3.857 -7.027 225 H SER 29 HN SER 29 0.651 -3.109 -6.258 226 HA SER 29 HA SER 29 0.423 -2.070 -3.497 227 HB2 SER 29 HB2 SER 29 2.840 -1.315 -3.765 228 HB3 SER 29 HB3 SER 29 2.578 -3.016 -3.426 229 HG SER 29 HG SER 29 3.271 -1.811 -5.907 230 H GLN 30 HN GLN 30 1.087 0.299 -3.259 231 HA GLN 30 HA GLN 30 0.565 2.036 -5.493 232 HB2 GLN 30 HB2 GLN 30 -1.804 1.189 -3.777 233 HB3 GLN 30 HB3 GLN 30 -1.759 2.792 -4.450 234 HG2 GLN 30 HG2 GLN 30 -1.384 1.727 -6.734 235 HG3 GLN 30 HG3 GLN 30 -1.902 0.216 -5.989 236 HE21 GLN 30 1HE2 GLN 30 -2.929 3.668 -6.269 237 HE22 GLN 30 2HE2 GLN 30 -4.633 3.320 -6.483 238 H TRP 31 HN TRP 31 -0.418 4.256 -4.420 239 HA TRP 31 HA TRP 31 1.469 4.889 -2.198 240 HB2 TRP 31 HB2 TRP 31 0.510 6.599 -4.511 241 HB3 TRP 31 HB3 TRP 31 1.804 6.948 -3.376 242 HD1 TRP 31 HD1 TRP 31 1.092 5.313 -6.633 243 HE1 TRP 31 HE1 TRP 31 3.140 4.154 -7.613 244 HE3 TRP 31 HE3 TRP 31 4.156 5.607 -2.553 245 HZ2 TRP 31 HZ2 TRP 31 5.731 3.243 -6.638 246 HZ3 TRP 31 HZ3 TRP 31 6.363 4.571 -2.598 247 HH2 TRP 31 HH2 TRP 31 7.194 3.373 -4.633 248 H GLU 32 HN GLU 32 -1.868 5.161 -3.235 249 HA GLU 32 HA GLU 32 -2.507 7.408 -1.515 250 HB2 GLU 32 HB2 GLU 32 -3.983 5.751 -3.417 251 HB3 GLU 32 HB3 GLU 32 -4.906 5.890 -1.933 252 HG2 GLU 32 HG2 GLU 32 -3.917 8.180 -3.650 253 HG3 GLU 32 HG3 GLU 32 -5.548 7.558 -3.549 254 H ARG 33 HN ARG 33 -4.216 7.117 0.268 255 HA ARG 33 HA ARG 33 -3.381 4.884 2.049 256 HB2 ARG 33 HB2 ARG 33 -2.743 7.168 2.743 257 HB3 ARG 33 HB3 ARG 33 -4.448 7.644 2.684 258 HG2 ARG 33 HG2 ARG 33 -4.928 6.053 4.569 259 HG3 ARG 33 HG3 ARG 33 -3.226 5.600 4.577 260 HD2 ARG 33 HD2 ARG 33 -3.109 7.161 6.197 261 HD3 ARG 33 HD3 ARG 33 -2.811 8.215 4.825 262 HE ARG 33 HE ARG 33 -5.128 8.022 6.592 263 HH11 ARG 33 2HH2 ARG 33 -3.963 9.439 3.513 264 HH12 ARG 33 1HH2 ARG 33 -5.195 10.658 3.462 265 HH21 ARG 33 2HH1 ARG 33 -6.693 9.776 6.528 266 HH22 ARG 33 1HH1 ARG 33 -6.825 10.781 5.131 267 HA PRO 34 HA PRO 34 -7.532 3.849 0.958 268 HB2 PRO 34 HB2 PRO 34 -7.857 1.466 2.413 269 HB3 PRO 34 HB3 PRO 34 -7.215 1.714 0.784 270 HG2 PRO 34 HG2 PRO 34 -5.747 1.068 3.216 271 HG3 PRO 34 HG3 PRO 34 -5.311 0.809 1.514 272 HD2 PRO 34 HD2 PRO 34 -4.325 2.854 3.182 273 HD3 PRO 34 HD3 PRO 34 -4.176 2.840 1.429 274 H SER 35 HN SER 35 -7.650 2.461 4.258 275 HA SER 35 HA SER 35 -9.359 2.552 5.706 276 HB2 SER 35 HB2 SER 35 -7.521 4.520 6.086 277 HB3 SER 35 HB3 SER 35 -8.992 5.487 6.073 278 HG SER 35 HG SER 35 -9.724 4.441 7.813 279 H GLY 36 HN GLY 36 -10.808 2.141 3.682 280 HA2 GLY 36 HA1 GLY 36 -13.290 3.084 3.973 281 HA3 GLY 36 HA2 GLY 36 -12.588 4.331 2.934 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -9.519 6.383 -9.396 2 H2 GLY 1 H2 GLY 1 -8.435 5.156 -9.203 3 H3 GLY 1 H3 GLY 1 -8.806 5.713 -10.717 4 HA2 GLY 1 HA1 GLY 1 -11.029 4.936 -10.565 5 HA3 GLY 1 HA2 GLY 1 -9.892 3.611 -10.269 6 H SER 2 HN SER 2 -10.350 2.384 -8.445 7 HA SER 2 HA SER 2 -12.237 3.226 -6.443 8 HB2 SER 2 HB2 SER 2 -11.224 1.253 -5.213 9 HB3 SER 2 HB3 SER 2 -11.888 0.886 -6.809 10 HG SER 2 HG SER 2 -9.152 1.311 -6.208 11 H LYS 3 HN LYS 3 -11.783 4.815 -4.841 12 HA LYS 3 HA LYS 3 -9.043 5.486 -4.149 13 HB2 LYS 3 HB2 LYS 3 -10.804 7.026 -3.475 14 HB3 LYS 3 HB3 LYS 3 -11.592 5.772 -2.502 15 HG2 LYS 3 HG2 LYS 3 -9.802 5.671 -0.946 16 HG3 LYS 3 HG3 LYS 3 -8.712 6.601 -1.972 17 HD2 LYS 3 HD2 LYS 3 -11.276 7.873 -0.979 18 HD3 LYS 3 HD3 LYS 3 -9.880 7.702 0.107 19 HE2 LYS 3 HE2 LYS 3 -8.421 8.847 -1.500 20 HE3 LYS 3 HE3 LYS 3 -9.784 9.057 -2.619 21 HZ1 LYS 3 HZ1 LYS 3 -10.808 10.511 -1.110 22 HZ2 LYS 3 HZ2 LYS 3 -9.727 10.218 0.116 23 HZ3 LYS 3 HZ3 LYS 3 -9.262 10.995 -1.253 24 H LEU 4 HN LEU 4 -7.821 4.580 -2.622 25 HA LEU 4 HA LEU 4 -7.465 1.938 -2.728 26 HB2 LEU 4 HB2 LEU 4 -6.188 4.148 -1.665 27 HB3 LEU 4 HB3 LEU 4 -6.441 3.191 -0.233 28 HG LEU 4 HG LEU 4 -5.253 2.040 -2.759 29 HD11 LEU 4 1HD1 LEU 4 -3.778 3.450 -0.524 30 HD12 LEU 4 2HD1 LEU 4 -2.988 2.354 -1.673 31 HD13 LEU 4 3HD1 LEU 4 -3.754 3.811 -2.277 32 HD21 LEU 4 3HD2 LEU 4 -4.386 0.398 -1.511 33 HD22 LEU 4 1HD2 LEU 4 -4.475 1.171 0.013 34 HD23 LEU 4 2HD2 LEU 4 -5.979 0.556 -0.722 35 HA PRO 5 HA PRO 5 -10.847 0.558 -0.019 36 HB2 PRO 5 HB2 PRO 5 -10.529 -2.184 -0.413 37 HB3 PRO 5 HB3 PRO 5 -11.397 -1.078 -1.506 38 HG2 PRO 5 HG2 PRO 5 -8.771 -2.393 -1.863 39 HG3 PRO 5 HG3 PRO 5 -9.856 -1.693 -3.092 40 HD2 PRO 5 HD2 PRO 5 -7.496 -0.481 -1.960 41 HD3 PRO 5 HD3 PRO 5 -8.633 0.219 -3.100 42 HA PRO 6 HA PRO 6 -8.668 -1.281 3.548 43 HB2 PRO 6 HB2 PRO 6 -10.475 -2.900 4.767 44 HB3 PRO 6 HB3 PRO 6 -10.669 -1.132 4.752 45 HG2 PRO 6 HG2 PRO 6 -11.948 -3.138 2.866 46 HG3 PRO 6 HG3 PRO 6 -12.744 -1.839 3.810 47 HD2 PRO 6 HD2 PRO 6 -11.989 -1.531 1.187 48 HD3 PRO 6 HD3 PRO 6 -11.933 -0.169 2.326 49 H GLY 7 HN GLY 7 -7.813 -3.452 4.219 50 HA2 GLY 7 HA1 GLY 7 -7.534 -5.821 3.749 51 HA3 GLY 7 HA2 GLY 7 -7.897 -5.533 2.057 52 H TRP 8 HN TRP 8 -5.710 -3.451 4.034 53 HA TRP 8 HA TRP 8 -3.458 -4.176 2.211 54 HB2 TRP 8 HB2 TRP 8 -4.705 -1.503 2.944 55 HB3 TRP 8 HB3 TRP 8 -3.143 -1.674 2.161 56 HD1 TRP 8 HD1 TRP 8 -6.886 -2.544 1.390 57 HE1 TRP 8 HE1 TRP 8 -7.285 -2.309 -1.004 58 HE3 TRP 8 HE3 TRP 8 -2.133 -1.505 -0.059 59 HZ2 TRP 8 HZ2 TRP 8 -5.806 -1.636 -3.331 60 HZ3 TRP 8 HZ3 TRP 8 -1.613 -1.278 -2.532 61 HH2 TRP 8 HH2 TRP 8 -3.442 -1.341 -4.177 62 H GLU 9 HN GLU 9 -1.396 -3.520 2.892 63 HA GLU 9 HA GLU 9 -0.907 -2.930 5.741 64 HB2 GLU 9 HB2 GLU 9 -1.117 -5.423 5.312 65 HB3 GLU 9 HB3 GLU 9 0.065 -5.295 4.011 66 HG2 GLU 9 HG2 GLU 9 1.809 -4.684 5.648 67 HG3 GLU 9 HG3 GLU 9 0.611 -4.780 6.953 68 H LYS 10 HN LYS 10 0.384 -1.411 5.933 69 HA LYS 10 HA LYS 10 1.693 -0.106 3.706 70 HB2 LYS 10 HB2 LYS 10 1.720 0.314 6.720 71 HB3 LYS 10 HB3 LYS 10 2.602 1.315 5.558 72 HG2 LYS 10 HG2 LYS 10 0.634 2.477 5.746 73 HG3 LYS 10 HG3 LYS 10 0.379 1.501 4.296 74 HD2 LYS 10 HD2 LYS 10 -1.347 0.379 5.111 75 HD3 LYS 10 HD3 LYS 10 -0.710 0.340 6.772 76 HE2 LYS 10 HE2 LYS 10 -1.686 2.903 5.504 77 HE3 LYS 10 HE3 LYS 10 -2.826 1.773 6.232 78 HZ1 LYS 10 HZ1 LYS 10 -2.102 3.508 7.764 79 HZ2 LYS 10 HZ2 LYS 10 -1.586 2.040 8.324 80 HZ3 LYS 10 HZ3 LYS 10 -0.527 3.063 7.627 81 H ARG 11 HN ARG 11 3.433 -0.927 2.790 82 HA ARG 11 HA ARG 11 5.373 -2.548 4.355 83 HB2 ARG 11 HB2 ARG 11 4.445 -2.611 1.442 84 HB3 ARG 11 HB3 ARG 11 6.112 -3.036 1.827 85 HG2 ARG 11 HG2 ARG 11 5.252 -4.685 3.518 86 HG3 ARG 11 HG3 ARG 11 3.611 -4.405 2.879 87 HD2 ARG 11 HD2 ARG 11 4.523 -4.967 0.593 88 HD3 ARG 11 HD3 ARG 11 6.077 -5.343 1.333 89 HE ARG 11 HE ARG 11 4.326 -6.920 2.730 90 HH11 ARG 11 2HH2 ARG 11 4.965 -6.500 -0.730 91 HH12 ARG 11 1HH2 ARG 11 4.911 -8.180 -1.129 92 HH21 ARG 11 2HH1 ARG 11 4.077 -9.107 2.220 93 HH22 ARG 11 1HH1 ARG 11 4.608 -9.748 0.668 94 H MET 12 HN MET 12 7.611 -2.134 3.228 95 HA MET 12 HA MET 12 7.844 0.691 2.401 96 HB2 MET 12 HB2 MET 12 9.669 -0.829 4.292 97 HB3 MET 12 HB3 MET 12 10.135 0.645 3.446 98 HG2 MET 12 HG2 MET 12 9.452 1.400 5.540 99 HG3 MET 12 HG3 MET 12 8.105 1.779 4.481 100 HE1 MET 12 HE1 MET 12 6.629 2.243 6.674 101 HE2 MET 12 HE2 MET 12 6.420 1.066 7.986 102 HE3 MET 12 HE3 MET 12 8.011 1.814 7.710 103 H SER 13 HN SER 13 9.753 0.966 1.000 104 HA SER 13 HA SER 13 10.528 -1.511 -0.473 105 HB2 SER 13 HB2 SER 13 8.893 -0.310 -1.798 106 HB3 SER 13 HB3 SER 13 9.769 1.213 -1.572 107 HG SER 13 HG SER 13 10.062 0.136 -3.559 108 H ARG 14 HN ARG 14 12.621 -1.403 -1.323 109 HA ARG 14 HA ARG 14 14.541 0.527 -0.132 110 HB2 ARG 14 HB2 ARG 14 15.008 -2.050 -1.713 111 HB3 ARG 14 HB3 ARG 14 16.246 -1.038 -0.964 112 HG2 ARG 14 HG2 ARG 14 15.151 -1.449 1.270 113 HG3 ARG 14 HG3 ARG 14 14.089 -2.635 0.488 114 HD2 ARG 14 HD2 ARG 14 16.018 -3.970 -0.210 115 HD3 ARG 14 HD3 ARG 14 17.135 -2.749 0.411 116 HE ARG 14 HE ARG 14 15.753 -4.803 1.902 117 HH11 ARG 14 2HH2 ARG 14 17.275 -1.559 2.225 118 HH12 ARG 14 1HH2 ARG 14 17.622 -1.766 3.886 119 HH21 ARG 14 2HH1 ARG 14 15.903 -4.860 4.161 120 HH22 ARG 14 1HH1 ARG 14 16.930 -3.718 5.012 121 H SER 15 HN SER 15 12.628 0.336 -2.922 122 HA SER 15 HA SER 15 14.139 1.030 -5.045 123 HB2 SER 15 HB2 SER 15 11.700 0.870 -5.089 124 HB3 SER 15 HB3 SER 15 11.554 2.331 -4.098 125 HG SER 15 HG SER 15 12.562 2.098 -6.749 126 H SER 16 HN SER 16 13.253 3.143 -2.327 127 HA SER 16 HA SER 16 15.847 4.112 -2.284 128 HB2 SER 16 HB2 SER 16 15.025 5.718 -4.039 129 HB3 SER 16 HB3 SER 16 13.855 6.321 -2.855 130 HG SER 16 HG SER 16 16.691 6.282 -2.612 131 H GLY 17 HN GLY 17 12.782 5.681 -1.276 132 HA2 GLY 17 HA1 GLY 17 12.905 4.687 1.465 133 HA3 GLY 17 HA2 GLY 17 13.167 6.431 1.187 134 H ARG 18 HN ARG 18 10.886 3.796 1.019 135 HA ARG 18 HA ARG 18 8.639 5.638 0.462 136 HB2 ARG 18 HB2 ARG 18 8.839 2.974 -0.984 137 HB3 ARG 18 HB3 ARG 18 7.774 4.314 -1.319 138 HG2 ARG 18 HG2 ARG 18 10.742 4.495 -1.925 139 HG3 ARG 18 HG3 ARG 18 9.607 3.682 -2.987 140 HD2 ARG 18 HD2 ARG 18 8.295 5.695 -3.309 141 HD3 ARG 18 HD3 ARG 18 9.223 6.555 -2.069 142 HE ARG 18 HE ARG 18 10.765 7.080 -3.618 143 HH11 ARG 18 2HH2 ARG 18 9.015 4.322 -5.044 144 HH12 ARG 18 1HH2 ARG 18 10.259 3.956 -6.175 145 HH21 ARG 18 2HH1 ARG 18 12.161 6.860 -5.283 146 HH22 ARG 18 1HH1 ARG 18 11.970 5.669 -6.542 147 H VAL 19 HN VAL 19 6.617 4.718 0.748 148 HA VAL 19 HA VAL 19 6.467 2.263 2.321 149 HB VAL 19 HB VAL 19 6.620 4.271 3.717 150 HG11 VAL 19 1HG1 VAL 19 3.795 5.019 2.934 151 HG12 VAL 19 2HG1 VAL 19 4.866 5.812 4.084 152 HG13 VAL 19 3HG1 VAL 19 5.252 5.856 2.352 153 HG21 VAL 19 3HG2 VAL 19 5.582 2.241 4.623 154 HG22 VAL 19 1HG2 VAL 19 4.738 3.654 5.259 155 HG23 VAL 19 2HG2 VAL 19 4.004 2.700 3.950 156 H TYR 20 HN TYR 20 5.831 1.231 0.329 157 HA TYR 20 HA TYR 20 3.409 2.303 -1.009 158 HB2 TYR 20 HB2 TYR 20 3.718 0.928 -2.789 159 HB3 TYR 20 HB3 TYR 20 5.377 1.213 -2.350 160 HD1 TYR 20 HD2 TYR 20 2.645 -1.278 -2.350 161 HD2 TYR 20 HD1 TYR 20 6.704 -0.473 -1.526 162 HE1 TYR 20 HE2 TYR 20 3.053 -3.728 -2.286 163 HE2 TYR 20 HE1 TYR 20 7.205 -2.950 -1.436 164 HH TYR 20 HH TYR 20 6.364 -5.025 -1.624 165 H TYR 21 HN TYR 21 1.479 1.014 -0.969 166 HA TYR 21 HA TYR 21 1.276 -0.571 1.551 167 HB2 TYR 21 HB2 TYR 21 -0.871 0.706 -0.188 168 HB3 TYR 21 HB3 TYR 21 -1.110 -0.220 1.283 169 HD1 TYR 21 HD1 TYR 21 1.683 2.330 1.296 170 HD2 TYR 21 HD2 TYR 21 -2.395 1.383 2.372 171 HE1 TYR 21 HE1 TYR 21 1.669 4.176 2.708 172 HE2 TYR 21 HE2 TYR 21 -2.415 3.467 3.795 173 HH TYR 21 HH TYR 21 -0.323 5.875 3.318 174 H PHE 22 HN PHE 22 1.035 -2.737 1.373 175 HA PHE 22 HA PHE 22 0.664 -3.917 -1.332 176 HB2 PHE 22 HB2 PHE 22 2.699 -4.653 -0.319 177 HB3 PHE 22 HB3 PHE 22 1.937 -4.952 1.225 178 HD1 PHE 22 HD2 PHE 22 2.043 -6.121 -2.353 179 HD2 PHE 22 HD1 PHE 22 0.967 -7.092 1.717 180 HE1 PHE 22 HE2 PHE 22 1.673 -8.473 -3.007 181 HE2 PHE 22 HE1 PHE 22 0.574 -9.435 1.048 182 HZ PHE 22 HZ PHE 22 0.931 -10.142 -1.323 183 H ASN 23 HN ASN 23 -1.357 -4.386 -1.680 184 HA ASN 23 HA ASN 23 -3.435 -4.907 0.298 185 HB2 ASN 23 HB2 ASN 23 -3.738 -4.002 -2.027 186 HB3 ASN 23 HB3 ASN 23 -3.125 -5.504 -2.667 187 HD21 ASN 23 1HD2 ASN 23 -5.746 -4.457 -0.327 188 HD22 ASN 23 2HD2 ASN 23 -6.919 -5.538 -1.020 189 H HIS 24 HN HIS 24 -4.394 -7.064 0.501 190 HA HIS 24 HA HIS 24 -2.663 -9.342 -0.354 191 HB2 HIS 24 HB2 HIS 24 -3.561 -10.471 1.596 192 HB3 HIS 24 HB3 HIS 24 -2.567 -9.089 2.006 193 HD1 HIS 24 HD1 HIS 24 -3.656 -7.442 3.664 194 HD2 HIS 24 HD2 HIS 24 -6.333 -10.171 1.919 195 HE1 HIS 24 HE1 HIS 24 -5.959 -6.951 4.683 196 H ILE 25 HN ILE 25 -5.588 -7.859 -1.001 197 HA ILE 25 HA ILE 25 -7.295 -10.208 -1.437 198 HB ILE 25 HB ILE 25 -7.691 -7.242 -1.970 199 HG12 ILE 25 2HG1 ILE 25 -7.414 -7.643 0.448 200 HG13 ILE 25 3HG1 ILE 25 -9.038 -7.154 0.051 201 HG21 ILE 25 1HG2 ILE 25 -10.084 -7.859 -2.108 202 HG22 ILE 25 2HG2 ILE 25 -9.112 -8.564 -3.399 203 HG23 ILE 25 3HG2 ILE 25 -9.609 -9.579 -2.062 204 HD11 ILE 25 3HD1 ILE 25 -8.192 -10.039 0.573 205 HD12 ILE 25 1HD1 ILE 25 -8.980 -8.964 1.729 206 HD13 ILE 25 2HD1 ILE 25 -9.850 -9.470 0.280 207 H THR 26 HN THR 26 -6.465 -7.519 -3.658 208 HA THR 26 HA THR 26 -6.110 -9.453 -5.824 209 HB THR 26 HB THR 26 -6.252 -7.453 -7.242 210 HG1 THR 26 HG1 THR 26 -5.862 -5.685 -6.217 211 HG21 THR 26 1HG2 THR 26 -8.676 -7.193 -6.957 212 HG22 THR 26 2HG2 THR 26 -8.257 -8.864 -6.517 213 HG23 THR 26 3HG2 THR 26 -8.574 -7.656 -5.263 214 H ASN 27 HN ASN 27 -4.280 -8.234 -3.459 215 HA ASN 27 HA ASN 27 -2.131 -8.138 -2.995 216 HB2 ASN 27 HB2 ASN 27 -0.659 -9.723 -3.912 217 HB3 ASN 27 HB3 ASN 27 -2.258 -10.422 -3.728 218 HD21 ASN 27 1HD2 ASN 27 -3.368 -11.195 -5.634 219 HD22 ASN 27 2HD2 ASN 27 -2.625 -11.045 -7.232 220 H ALA 28 HN ALA 28 -3.081 -6.089 -5.135 221 HA ALA 28 HA ALA 28 -0.780 -5.286 -6.581 222 HB1 ALA 28 HB1 ALA 28 -2.012 -3.159 -6.859 223 HB2 ALA 28 HB2 ALA 28 -3.082 -4.549 -7.085 224 HB3 ALA 28 HB3 ALA 28 -3.134 -3.632 -5.565 225 H SER 29 HN SER 29 0.667 -3.522 -6.255 226 HA SER 29 HA SER 29 1.217 -2.586 -3.517 227 HB2 SER 29 HB2 SER 29 3.231 -1.534 -4.803 228 HB3 SER 29 HB3 SER 29 3.229 -3.276 -4.612 229 HG SER 29 HG SER 29 3.139 -1.825 -6.914 230 H GLN 30 HN GLN 30 1.435 -0.067 -3.365 231 HA GLN 30 HA GLN 30 0.552 1.650 -5.444 232 HB2 GLN 30 HB2 GLN 30 -1.697 0.540 -3.859 233 HB3 GLN 30 HB3 GLN 30 -1.672 2.261 -3.819 234 HG2 GLN 30 HG2 GLN 30 -1.928 2.525 -6.141 235 HG3 GLN 30 HG3 GLN 30 -1.426 0.900 -6.503 236 HE21 GLN 30 1HE2 GLN 30 -3.279 0.482 -7.733 237 HE22 GLN 30 2HE2 GLN 30 -4.841 0.154 -6.982 238 H TRP 31 HN TRP 31 -0.182 3.937 -4.373 239 HA TRP 31 HA TRP 31 1.870 4.375 -2.256 240 HB2 TRP 31 HB2 TRP 31 0.904 6.232 -4.449 241 HB3 TRP 31 HB3 TRP 31 2.147 6.587 -3.264 242 HD1 TRP 31 HD1 TRP 31 1.939 5.888 -6.687 243 HE1 TRP 31 HE1 TRP 31 4.110 4.918 -7.664 244 HE3 TRP 31 HE3 TRP 31 4.188 4.369 -2.348 245 HZ2 TRP 31 HZ2 TRP 31 6.466 3.594 -6.709 246 HZ3 TRP 31 HZ3 TRP 31 6.360 3.220 -2.418 247 HH2 TRP 31 HH2 TRP 31 7.529 2.834 -4.581 248 H GLU 32 HN GLU 32 -1.531 4.880 -2.990 249 HA GLU 32 HA GLU 32 -1.800 7.231 -1.269 250 HB2 GLU 32 HB2 GLU 32 -3.421 5.965 -3.247 251 HB3 GLU 32 HB3 GLU 32 -4.364 5.968 -1.774 252 HG2 GLU 32 HG2 GLU 32 -3.034 8.418 -2.996 253 HG3 GLU 32 HG3 GLU 32 -4.717 7.941 -3.238 254 H ARG 33 HN ARG 33 -3.935 6.891 0.333 255 HA ARG 33 HA ARG 33 -3.229 4.632 2.134 256 HB2 ARG 33 HB2 ARG 33 -3.783 6.033 4.044 257 HB3 ARG 33 HB3 ARG 33 -2.477 6.706 3.096 258 HG2 ARG 33 HG2 ARG 33 -3.532 8.670 2.973 259 HG3 ARG 33 HG3 ARG 33 -4.809 7.944 2.036 260 HD2 ARG 33 HD2 ARG 33 -5.917 8.921 3.870 261 HD3 ARG 33 HD3 ARG 33 -5.854 7.201 4.293 262 HE ARG 33 HE ARG 33 -3.564 8.755 5.212 263 HH11 ARG 33 2HH2 ARG 33 -7.002 8.254 6.132 264 HH12 ARG 33 1HH2 ARG 33 -6.686 8.709 7.761 265 HH21 ARG 33 2HH1 ARG 33 -3.224 9.243 7.372 266 HH22 ARG 33 1HH1 ARG 33 -4.588 9.363 8.443 267 HA PRO 34 HA PRO 34 -7.602 3.788 1.512 268 HB2 PRO 34 HB2 PRO 34 -7.803 1.391 2.877 269 HB3 PRO 34 HB3 PRO 34 -7.252 1.627 1.198 270 HG2 PRO 34 HG2 PRO 34 -5.592 0.980 3.510 271 HG3 PRO 34 HG3 PRO 34 -5.412 0.560 1.806 272 HD2 PRO 34 HD2 PRO 34 -4.103 2.625 3.151 273 HD3 PRO 34 HD3 PRO 34 -4.187 2.545 1.414 274 H SER 35 HN SER 35 -9.517 3.694 2.771 275 HA SER 35 HA SER 35 -9.313 4.798 5.483 276 HB2 SER 35 HB2 SER 35 -10.281 6.953 4.530 277 HB3 SER 35 HB3 SER 35 -8.567 6.639 4.300 278 HG SER 35 HG SER 35 -10.047 5.669 2.200 279 H GLY 36 HN GLY 36 -11.228 2.780 3.529 280 HA2 GLY 36 HA1 GLY 36 -13.474 3.219 5.275 281 HA3 GLY 36 HA2 GLY 36 -13.798 3.689 3.592 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -8.739 10.239 -6.178 2 H2 GLY 1 H2 GLY 1 -8.114 11.757 -5.989 3 H3 GLY 1 H3 GLY 1 -7.130 10.428 -5.869 4 HA2 GLY 1 HA1 GLY 1 -7.598 11.339 -3.721 5 HA3 GLY 1 HA2 GLY 1 -9.320 11.051 -4.033 6 H SER 2 HN SER 2 -9.068 9.648 -1.991 7 HA SER 2 HA SER 2 -7.476 7.330 -1.899 8 HB2 SER 2 HB2 SER 2 -10.246 7.769 -0.741 9 HB3 SER 2 HB3 SER 2 -8.998 6.666 -0.122 10 HG SER 2 HG SER 2 -9.303 8.734 0.959 11 H LYS 3 HN LYS 3 -7.567 5.565 -3.194 12 HA LYS 3 HA LYS 3 -10.174 4.307 -3.676 13 HB2 LYS 3 HB2 LYS 3 -8.146 4.768 -5.916 14 HB3 LYS 3 HB3 LYS 3 -9.418 3.553 -5.958 15 HG2 LYS 3 HG2 LYS 3 -10.952 5.697 -5.365 16 HG3 LYS 3 HG3 LYS 3 -9.631 6.536 -6.176 17 HD2 LYS 3 HD2 LYS 3 -11.276 6.077 -7.831 18 HD3 LYS 3 HD3 LYS 3 -10.015 4.855 -8.113 19 HE2 LYS 3 HE2 LYS 3 -11.292 3.180 -6.908 20 HE3 LYS 3 HE3 LYS 3 -12.483 4.381 -6.381 21 HZ1 LYS 3 HZ1 LYS 3 -13.313 3.098 -8.194 22 HZ2 LYS 3 HZ2 LYS 3 -13.104 4.655 -8.692 23 HZ3 LYS 3 HZ3 LYS 3 -12.038 3.472 -9.155 24 H LEU 4 HN LEU 4 -9.019 3.524 -1.622 25 HA LEU 4 HA LEU 4 -7.454 1.146 -2.357 26 HB2 LEU 4 HB2 LEU 4 -6.622 3.153 -0.318 27 HB3 LEU 4 HB3 LEU 4 -6.261 1.435 -0.142 28 HG LEU 4 HG LEU 4 -5.139 1.684 -2.510 29 HD11 LEU 4 1HD1 LEU 4 -4.053 3.969 -2.645 30 HD12 LEU 4 2HD1 LEU 4 -5.772 3.948 -3.016 31 HD13 LEU 4 3HD1 LEU 4 -5.228 4.524 -1.425 32 HD21 LEU 4 3HD2 LEU 4 -3.924 1.217 -0.338 33 HD22 LEU 4 1HD2 LEU 4 -3.003 2.266 -1.408 34 HD23 LEU 4 2HD2 LEU 4 -3.898 2.975 -0.082 35 HA PRO 5 HA PRO 5 -10.914 -0.367 0.195 36 HB2 PRO 5 HB2 PRO 5 -10.060 -3.072 0.154 37 HB3 PRO 5 HB3 PRO 5 -11.058 -2.277 -1.097 38 HG2 PRO 5 HG2 PRO 5 -8.172 -2.951 -1.078 39 HG3 PRO 5 HG3 PRO 5 -9.281 -2.840 -2.470 40 HD2 PRO 5 HD2 PRO 5 -7.428 -0.865 -1.784 41 HD3 PRO 5 HD3 PRO 5 -8.850 -0.551 -2.723 42 HA PRO 6 HA PRO 6 -9.004 -1.689 4.187 43 HB2 PRO 6 HB2 PRO 6 -10.890 -3.464 5.120 44 HB3 PRO 6 HB3 PRO 6 -11.076 -1.693 5.223 45 HG2 PRO 6 HG2 PRO 6 -12.314 -3.569 3.219 46 HG3 PRO 6 HG3 PRO 6 -13.046 -2.161 4.039 47 HD2 PRO 6 HD2 PRO 6 -12.014 -2.160 1.467 48 HD3 PRO 6 HD3 PRO 6 -12.116 -0.703 2.478 49 H GLY 7 HN GLY 7 -7.221 -3.062 3.858 50 HA2 GLY 7 HA1 GLY 7 -7.112 -5.728 3.888 51 HA3 GLY 7 HA2 GLY 7 -7.598 -5.508 2.215 52 H TRP 8 HN TRP 8 -5.184 -3.525 4.111 53 HA TRP 8 HA TRP 8 -3.038 -4.341 2.216 54 HB2 TRP 8 HB2 TRP 8 -3.852 -1.590 3.222 55 HB3 TRP 8 HB3 TRP 8 -2.458 -1.941 2.249 56 HD1 TRP 8 HD1 TRP 8 -6.330 -2.474 1.792 57 HE1 TRP 8 HE1 TRP 8 -6.955 -1.726 -0.405 58 HE3 TRP 8 HE3 TRP 8 -1.744 -1.032 0.104 59 HZ2 TRP 8 HZ2 TRP 8 -5.661 -0.796 -2.873 60 HZ3 TRP 8 HZ3 TRP 8 -1.439 -0.382 -2.285 61 HH2 TRP 8 HH2 TRP 8 -3.401 -0.325 -3.809 62 H GLU 9 HN GLU 9 -0.922 -3.593 3.006 63 HA GLU 9 HA GLU 9 -0.775 -2.672 5.806 64 HB2 GLU 9 HB2 GLU 9 0.974 -4.797 4.508 65 HB3 GLU 9 HB3 GLU 9 1.449 -3.874 5.938 66 HG2 GLU 9 HG2 GLU 9 -0.797 -4.699 6.966 67 HG3 GLU 9 HG3 GLU 9 -0.764 -5.923 5.681 68 H LYS 10 HN LYS 10 1.298 -1.503 6.102 69 HA LYS 10 HA LYS 10 1.915 0.149 3.716 70 HB2 LYS 10 HB2 LYS 10 2.833 0.627 6.577 71 HB3 LYS 10 HB3 LYS 10 2.703 1.795 5.269 72 HG2 LYS 10 HG2 LYS 10 0.400 0.480 6.764 73 HG3 LYS 10 HG3 LYS 10 1.003 2.121 6.972 74 HD2 LYS 10 HD2 LYS 10 0.165 2.858 4.938 75 HD3 LYS 10 HD3 LYS 10 -0.114 1.213 4.323 76 HE2 LYS 10 HE2 LYS 10 -2.177 2.444 4.943 77 HE3 LYS 10 HE3 LYS 10 -1.984 0.888 5.753 78 HZ1 LYS 10 HZ1 LYS 10 -1.463 1.957 7.755 79 HZ2 LYS 10 HZ2 LYS 10 -1.218 3.434 7.067 80 HZ3 LYS 10 HZ3 LYS 10 -2.735 2.778 7.144 81 H ARG 11 HN ARG 11 3.195 -1.457 2.590 82 HA ARG 11 HA ARG 11 5.332 -2.799 4.178 83 HB2 ARG 11 HB2 ARG 11 3.726 -3.989 2.525 84 HB3 ARG 11 HB3 ARG 11 4.744 -3.349 1.244 85 HG2 ARG 11 HG2 ARG 11 6.617 -4.632 1.993 86 HG3 ARG 11 HG3 ARG 11 5.905 -4.925 3.578 87 HD2 ARG 11 HD2 ARG 11 4.217 -5.995 1.409 88 HD3 ARG 11 HD3 ARG 11 5.847 -6.635 1.361 89 HE ARG 11 HE ARG 11 5.106 -8.093 2.916 90 HH11 ARG 11 2HH2 ARG 11 3.492 -5.031 3.835 91 HH12 ARG 11 1HH2 ARG 11 2.783 -5.820 5.242 92 HH21 ARG 11 2HH1 ARG 11 4.290 -8.867 4.963 93 HH22 ARG 11 1HH1 ARG 11 3.175 -7.832 5.821 94 H MET 12 HN MET 12 7.476 -2.878 3.228 95 HA MET 12 HA MET 12 8.161 -0.160 2.167 96 HB2 MET 12 HB2 MET 12 9.829 -2.187 3.697 97 HB3 MET 12 HB3 MET 12 10.478 -0.736 2.929 98 HG2 MET 12 HG2 MET 12 8.229 -0.660 4.975 99 HG3 MET 12 HG3 MET 12 9.932 -0.509 5.389 100 HE1 MET 12 HE1 MET 12 8.478 3.084 5.969 101 HE2 MET 12 HE2 MET 12 7.616 1.545 6.180 102 HE3 MET 12 HE3 MET 12 9.308 1.689 6.695 103 H SER 13 HN SER 13 8.763 0.076 0.218 104 HA SER 13 HA SER 13 9.813 -2.089 -1.512 105 HB2 SER 13 HB2 SER 13 8.838 0.782 -1.827 106 HB3 SER 13 HB3 SER 13 9.975 0.120 -2.982 107 HG SER 13 HG SER 13 7.428 -0.930 -2.353 108 H ARG 14 HN ARG 14 11.990 -2.182 -1.899 109 HA ARG 14 HA ARG 14 14.204 -1.839 -1.739 110 HB2 ARG 14 HB2 ARG 14 13.239 0.964 -2.375 111 HB3 ARG 14 HB3 ARG 14 14.928 0.464 -2.448 112 HG2 ARG 14 HG2 ARG 14 14.358 -1.299 -4.093 113 HG3 ARG 14 HG3 ARG 14 12.673 -0.724 -4.083 114 HD2 ARG 14 HD2 ARG 14 13.404 1.494 -4.844 115 HD3 ARG 14 HD3 ARG 14 15.091 0.976 -4.809 116 HE ARG 14 HE ARG 14 12.963 0.013 -6.679 117 HH11 ARG 14 2HH2 ARG 14 16.520 0.239 -5.983 118 HH12 ARG 14 1HH2 ARG 14 16.879 -0.615 -7.454 119 HH21 ARG 14 2HH1 ARG 14 13.572 -0.924 -8.551 120 HH22 ARG 14 1HH1 ARG 14 15.277 -1.210 -8.928 121 H SER 15 HN SER 15 13.437 -2.267 0.730 122 HA SER 15 HA SER 15 14.096 -2.174 2.846 123 HB2 SER 15 HB2 SER 15 16.339 -0.370 1.871 124 HB3 SER 15 HB3 SER 15 16.249 -1.151 3.456 125 HG SER 15 HG SER 15 16.280 -3.134 2.458 126 H SER 16 HN SER 16 14.948 1.250 2.058 127 HA SER 16 HA SER 16 12.526 2.204 3.415 128 HB2 SER 16 HB2 SER 16 15.352 3.180 3.897 129 HB3 SER 16 HB3 SER 16 13.880 3.867 4.566 130 HG SER 16 HG SER 16 13.535 1.757 5.591 131 H GLY 17 HN GLY 17 12.452 1.884 0.837 132 HA2 GLY 17 HA1 GLY 17 13.543 4.259 -0.558 133 HA3 GLY 17 HA2 GLY 17 12.773 2.844 -1.297 134 H ARG 18 HN ARG 18 10.403 2.527 -0.187 135 HA ARG 18 HA ARG 18 9.039 4.927 0.662 136 HB2 ARG 18 HB2 ARG 18 8.263 3.550 -1.994 137 HB3 ARG 18 HB3 ARG 18 7.102 4.400 -1.041 138 HG2 ARG 18 HG2 ARG 18 7.544 6.286 -1.995 139 HG3 ARG 18 HG3 ARG 18 9.133 6.305 -1.269 140 HD2 ARG 18 HD2 ARG 18 9.329 4.639 -3.585 141 HD3 ARG 18 HD3 ARG 18 8.346 6.016 -4.066 142 HE ARG 18 HE ARG 18 11.183 5.952 -3.412 143 HH11 ARG 18 2HH2 ARG 18 8.404 8.203 -3.736 144 HH12 ARG 18 1HH2 ARG 18 9.417 9.570 -4.015 145 HH21 ARG 18 2HH1 ARG 18 12.429 7.688 -3.634 146 HH22 ARG 18 1HH1 ARG 18 11.806 9.288 -3.947 147 H VAL 19 HN VAL 19 6.979 4.533 1.318 148 HA VAL 19 HA VAL 19 6.481 1.696 1.940 149 HB VAL 19 HB VAL 19 6.985 3.269 3.763 150 HG11 VAL 19 1HG1 VAL 19 5.353 4.707 4.727 151 HG12 VAL 19 2HG1 VAL 19 5.649 5.244 3.065 152 HG13 VAL 19 3HG1 VAL 19 4.173 4.342 3.471 153 HG21 VAL 19 3HG2 VAL 19 5.968 1.110 4.144 154 HG22 VAL 19 1HG2 VAL 19 5.168 2.266 5.209 155 HG23 VAL 19 2HG2 VAL 19 4.363 1.736 3.711 156 H TYR 20 HN TYR 20 6.021 1.693 -0.320 157 HA TYR 20 HA TYR 20 3.521 2.853 -1.297 158 HB2 TYR 20 HB2 TYR 20 3.644 1.478 -3.159 159 HB3 TYR 20 HB3 TYR 20 5.280 2.041 -2.880 160 HD1 TYR 20 HD1 TYR 20 5.784 -0.113 -0.649 161 HD2 TYR 20 HD2 TYR 20 4.413 -0.288 -4.672 162 HE1 TYR 20 HE1 TYR 20 6.297 -2.514 -0.653 163 HE2 TYR 20 HE2 TYR 20 4.873 -2.725 -4.722 164 HH TYR 20 HH TYR 20 6.421 -4.399 -1.936 165 H TYR 21 HN TYR 21 1.516 2.103 -0.694 166 HA TYR 21 HA TYR 21 1.454 0.109 1.469 167 HB2 TYR 21 HB2 TYR 21 -0.854 1.254 -0.106 168 HB3 TYR 21 HB3 TYR 21 -0.914 0.509 1.504 169 HD1 TYR 21 HD1 TYR 21 1.614 1.966 2.633 170 HD2 TYR 21 HD2 TYR 21 -1.681 3.339 0.296 171 HE1 TYR 21 HE1 TYR 21 1.885 4.130 3.536 172 HE2 TYR 21 HE2 TYR 21 -1.314 5.682 1.185 173 HH TYR 21 HH TYR 21 1.326 6.395 3.471 174 H PHE 22 HN PHE 22 0.682 -2.053 1.229 175 HA PHE 22 HA PHE 22 0.541 -3.063 -1.568 176 HB2 PHE 22 HB2 PHE 22 2.737 -3.589 -0.955 177 HB3 PHE 22 HB3 PHE 22 2.287 -3.994 0.697 178 HD1 PHE 22 HD1 PHE 22 1.886 -5.154 -2.862 179 HD2 PHE 22 HD2 PHE 22 1.769 -6.224 1.322 180 HE1 PHE 22 HE1 PHE 22 1.727 -7.550 -3.469 181 HE2 PHE 22 HE2 PHE 22 1.678 -8.612 0.707 182 HZ PHE 22 HZ PHE 22 1.605 -9.288 -1.686 183 H ASN 23 HN ASN 23 -1.328 -3.802 -1.832 184 HA ASN 23 HA ASN 23 -3.336 -4.439 0.160 185 HB2 ASN 23 HB2 ASN 23 -3.621 -3.455 -2.107 186 HB3 ASN 23 HB3 ASN 23 -3.227 -5.022 -2.819 187 HD21 ASN 23 1HD2 ASN 23 -5.734 -3.158 -2.789 188 HD22 ASN 23 2HD2 ASN 23 -6.994 -4.307 -2.384 189 H HIS 24 HN HIS 24 -4.092 -6.539 0.467 190 HA HIS 24 HA HIS 24 -2.316 -8.759 -0.377 191 HB2 HIS 24 HB2 HIS 24 -2.814 -9.778 1.662 192 HB3 HIS 24 HB3 HIS 24 -2.088 -8.230 1.995 193 HD1 HIS 24 HD1 HIS 24 -3.359 -6.854 3.833 194 HD2 HIS 24 HD2 HIS 24 -5.588 -9.972 2.088 195 HE1 HIS 24 HE1 HIS 24 -5.593 -6.921 5.055 196 H ILE 25 HN ILE 25 -5.604 -7.580 -0.196 197 HA ILE 25 HA ILE 25 -6.966 -10.040 -0.815 198 HB ILE 25 HB ILE 25 -7.739 -7.160 -1.443 199 HG12 ILE 25 2HG1 ILE 25 -7.286 -7.345 0.955 200 HG13 ILE 25 3HG1 ILE 25 -8.985 -7.107 0.644 201 HG21 ILE 25 1HG2 ILE 25 -9.057 -8.731 -2.723 202 HG22 ILE 25 2HG2 ILE 25 -9.387 -9.707 -1.288 203 HG23 ILE 25 3HG2 ILE 25 -10.053 -8.058 -1.430 204 HD11 ILE 25 3HD1 ILE 25 -9.441 -9.482 1.059 205 HD12 ILE 25 1HD1 ILE 25 -7.712 -9.791 1.315 206 HD13 ILE 25 2HD1 ILE 25 -8.598 -8.742 2.433 207 H THR 26 HN THR 26 -5.713 -7.278 -2.752 208 HA THR 26 HA THR 26 -5.964 -8.990 -5.154 209 HB THR 26 HB THR 26 -6.285 -6.989 -6.446 210 HG1 THR 26 HG1 THR 26 -6.856 -5.209 -4.623 211 HG21 THR 26 1HG2 THR 26 -8.230 -8.190 -5.366 212 HG22 THR 26 2HG2 THR 26 -8.201 -6.962 -4.079 213 HG23 THR 26 3HG2 THR 26 -8.522 -6.495 -5.764 214 H ASN 27 HN ASN 27 -3.586 -8.053 -3.141 215 HA ASN 27 HA ASN 27 -1.334 -7.828 -3.233 216 HB2 ASN 27 HB2 ASN 27 -1.759 -9.716 -5.549 217 HB3 ASN 27 HB3 ASN 27 -0.197 -9.358 -4.810 218 HD21 ASN 27 1HD2 ASN 27 -3.251 -11.133 -4.302 219 HD22 ASN 27 2HD2 ASN 27 -2.771 -11.766 -2.747 220 H ALA 28 HN ALA 28 -2.808 -5.696 -4.732 221 HA ALA 28 HA ALA 28 -0.804 -4.714 -6.684 222 HB1 ALA 28 HB1 ALA 28 -2.404 -2.837 -6.917 223 HB2 ALA 28 HB2 ALA 28 -3.221 -4.389 -7.147 224 HB3 ALA 28 HB3 ALA 28 -3.403 -3.506 -5.610 225 H SER 29 HN SER 29 -0.197 -2.236 -6.265 226 HA SER 29 HA SER 29 -0.003 -1.646 -3.403 227 HB2 SER 29 HB2 SER 29 2.351 -0.920 -3.706 228 HB3 SER 29 HB3 SER 29 2.162 -2.654 -3.839 229 HG SER 29 HG SER 29 2.093 -2.315 -6.211 230 H GLN 30 HN GLN 30 0.816 0.784 -3.063 231 HA GLN 30 HA GLN 30 0.047 2.656 -5.115 232 HB2 GLN 30 HB2 GLN 30 -2.176 1.697 -3.298 233 HB3 GLN 30 HB3 GLN 30 -2.157 3.358 -3.766 234 HG2 GLN 30 HG2 GLN 30 -1.986 2.540 -6.206 235 HG3 GLN 30 HG3 GLN 30 -2.591 1.006 -5.556 236 HE21 GLN 30 1HE2 GLN 30 -4.867 0.839 -5.444 237 HE22 GLN 30 2HE2 GLN 30 -5.919 2.235 -5.197 238 H TRP 31 HN TRP 31 -0.907 4.740 -3.886 239 HA TRP 31 HA TRP 31 1.290 5.562 -2.072 240 HB2 TRP 31 HB2 TRP 31 0.144 7.135 -4.404 241 HB3 TRP 31 HB3 TRP 31 1.682 7.362 -3.574 242 HD1 TRP 31 HD1 TRP 31 0.019 5.441 -6.355 243 HE1 TRP 31 HE1 TRP 31 1.556 3.683 -7.385 244 HE3 TRP 31 HE3 TRP 31 3.919 5.790 -3.088 245 HZ2 TRP 31 HZ2 TRP 31 4.257 2.690 -6.956 246 HZ3 TRP 31 HZ3 TRP 31 5.910 4.428 -3.358 247 HH2 TRP 31 HH2 TRP 31 6.131 2.855 -5.318 248 H GLU 32 HN GLU 32 -2.105 6.115 -3.158 249 HA GLU 32 HA GLU 32 -2.706 8.139 -1.110 250 HB2 GLU 32 HB2 GLU 32 -4.381 6.508 -3.081 251 HB3 GLU 32 HB3 GLU 32 -5.102 7.473 -1.797 252 HG2 GLU 32 HG2 GLU 32 -5.090 8.808 -3.801 253 HG3 GLU 32 HG3 GLU 32 -3.964 9.498 -2.632 254 H ARG 33 HN ARG 33 -4.353 7.375 0.725 255 HA ARG 33 HA ARG 33 -3.304 4.742 1.633 256 HB2 ARG 33 HB2 ARG 33 -3.761 5.406 3.850 257 HB3 ARG 33 HB3 ARG 33 -2.993 6.768 3.041 258 HG2 ARG 33 HG2 ARG 33 -5.378 7.714 2.682 259 HG3 ARG 33 HG3 ARG 33 -5.949 6.416 3.739 260 HD2 ARG 33 HD2 ARG 33 -5.675 8.400 5.085 261 HD3 ARG 33 HD3 ARG 33 -4.429 7.241 5.541 262 HE ARG 33 HE ARG 33 -2.780 8.613 4.682 263 HH11 ARG 33 2HH2 ARG 33 -5.915 10.011 3.704 264 HH12 ARG 33 1HH2 ARG 33 -5.208 11.520 3.216 265 HH21 ARG 33 2HH1 ARG 33 -1.880 10.374 3.818 266 HH22 ARG 33 1HH1 ARG 33 -2.813 11.634 3.048 267 HA PRO 34 HA PRO 34 -7.354 2.808 1.539 268 HB2 PRO 34 HB2 PRO 34 -6.553 1.338 3.994 269 HB3 PRO 34 HB3 PRO 34 -7.160 0.756 2.420 270 HG2 PRO 34 HG2 PRO 34 -4.552 0.481 3.116 271 HG3 PRO 34 HG3 PRO 34 -5.057 0.774 1.458 272 HD2 PRO 34 HD2 PRO 34 -4.066 2.724 3.505 273 HD3 PRO 34 HD3 PRO 34 -3.601 2.574 1.809 274 H SER 35 HN SER 35 -9.130 3.636 2.199 275 HA SER 35 HA SER 35 -9.522 4.431 5.023 276 HB2 SER 35 HB2 SER 35 -9.876 6.198 2.579 277 HB3 SER 35 HB3 SER 35 -10.675 6.538 4.119 278 HG SER 35 HG SER 35 -8.585 6.575 5.096 279 H GLY 36 HN GLY 36 -10.539 2.462 2.623 280 HA2 GLY 36 HA1 GLY 36 -13.439 2.666 3.099 281 HA3 GLY 36 HA2 GLY 36 -12.578 1.447 2.144 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -14.003 9.851 -5.824 2 H2 GLY 1 H2 GLY 1 -13.036 9.117 -6.949 3 H3 GLY 1 H3 GLY 1 -14.578 9.536 -7.344 4 HA2 GLY 1 HA1 GLY 1 -15.492 7.970 -5.823 5 HA3 GLY 1 HA2 GLY 1 -14.380 7.178 -6.960 6 H SER 2 HN SER 2 -13.709 5.478 -5.596 7 HA SER 2 HA SER 2 -12.170 6.248 -3.153 8 HB2 SER 2 HB2 SER 2 -13.345 3.600 -4.064 9 HB3 SER 2 HB3 SER 2 -12.238 3.790 -2.697 10 HG SER 2 HG SER 2 -14.286 3.823 -1.977 11 H LYS 3 HN LYS 3 -10.170 4.971 -2.881 12 HA LYS 3 HA LYS 3 -8.665 5.005 -5.462 13 HB2 LYS 3 HB2 LYS 3 -7.488 6.198 -2.961 14 HB3 LYS 3 HB3 LYS 3 -7.057 6.405 -4.642 15 HG2 LYS 3 HG2 LYS 3 -8.078 8.407 -4.400 16 HG3 LYS 3 HG3 LYS 3 -9.540 7.505 -4.750 17 HD2 LYS 3 HD2 LYS 3 -9.717 7.125 -2.176 18 HD3 LYS 3 HD3 LYS 3 -8.426 8.310 -2.022 19 HE2 LYS 3 HE2 LYS 3 -11.229 8.748 -3.133 20 HE3 LYS 3 HE3 LYS 3 -10.550 9.368 -1.617 21 HZ1 LYS 3 HZ1 LYS 3 -9.908 10.182 -4.356 22 HZ2 LYS 3 HZ2 LYS 3 -10.532 11.075 -3.141 23 HZ3 LYS 3 HZ3 LYS 3 -8.938 10.596 -3.061 24 H LEU 4 HN LEU 4 -8.520 4.105 -1.966 25 HA LEU 4 HA LEU 4 -7.026 1.698 -2.755 26 HB2 LEU 4 HB2 LEU 4 -5.908 3.886 -1.389 27 HB3 LEU 4 HB3 LEU 4 -6.265 2.743 -0.135 28 HG LEU 4 HG LEU 4 -5.056 0.989 -1.411 29 HD11 LEU 4 1HD1 LEU 4 -4.082 3.253 -3.197 30 HD12 LEU 4 2HD1 LEU 4 -3.658 1.526 -3.266 31 HD13 LEU 4 3HD1 LEU 4 -5.250 2.033 -3.688 32 HD21 LEU 4 3HD2 LEU 4 -2.645 2.109 -1.322 33 HD22 LEU 4 1HD2 LEU 4 -3.513 3.422 -0.524 34 HD23 LEU 4 2HD2 LEU 4 -3.491 1.765 0.140 35 HA PRO 5 HA PRO 5 -10.783 0.188 -0.866 36 HB2 PRO 5 HB2 PRO 5 -10.172 -2.557 -1.120 37 HB3 PRO 5 HB3 PRO 5 -10.904 -1.514 -2.370 38 HG2 PRO 5 HG2 PRO 5 -8.130 -2.525 -2.113 39 HG3 PRO 5 HG3 PRO 5 -9.030 -2.115 -3.582 40 HD2 PRO 5 HD2 PRO 5 -7.099 -0.448 -2.448 41 HD3 PRO 5 HD3 PRO 5 -8.400 0.098 -3.473 42 HA PRO 6 HA PRO 6 -9.613 -1.390 3.241 43 HB2 PRO 6 HB2 PRO 6 -11.291 -3.513 3.767 44 HB3 PRO 6 HB3 PRO 6 -11.833 -1.808 3.794 45 HG2 PRO 6 HG2 PRO 6 -12.111 -3.795 1.530 46 HG3 PRO 6 HG3 PRO 6 -13.365 -2.706 2.217 47 HD2 PRO 6 HD2 PRO 6 -11.992 -2.064 -0.022 48 HD3 PRO 6 HD3 PRO 6 -12.445 -0.822 1.168 49 H GLY 7 HN GLY 7 -8.487 -3.306 4.206 50 HA2 GLY 7 HA1 GLY 7 -7.492 -5.420 4.154 51 HA3 GLY 7 HA2 GLY 7 -8.008 -5.635 2.500 52 H TRP 8 HN TRP 8 -5.701 -3.426 4.248 53 HA TRP 8 HA TRP 8 -3.612 -3.989 2.205 54 HB2 TRP 8 HB2 TRP 8 -4.793 -1.357 3.126 55 HB3 TRP 8 HB3 TRP 8 -3.179 -1.471 2.464 56 HD1 TRP 8 HD1 TRP 8 -6.841 -2.304 1.291 57 HE1 TRP 8 HE1 TRP 8 -7.043 -1.805 -1.061 58 HE3 TRP 8 HE3 TRP 8 -1.991 -1.089 0.315 59 HZ2 TRP 8 HZ2 TRP 8 -5.282 -1.364 -3.373 60 HZ3 TRP 8 HZ3 TRP 8 -1.267 -0.669 -2.053 61 HH2 TRP 8 HH2 TRP 8 -2.901 -0.898 -3.906 62 H GLU 9 HN GLU 9 -1.465 -3.412 2.924 63 HA GLU 9 HA GLU 9 -1.053 -2.953 5.783 64 HB2 GLU 9 HB2 GLU 9 -0.738 -5.433 5.089 65 HB3 GLU 9 HB3 GLU 9 0.619 -4.869 4.102 66 HG2 GLU 9 HG2 GLU 9 1.642 -3.877 6.166 67 HG3 GLU 9 HG3 GLU 9 0.294 -4.506 7.126 68 H LYS 10 HN LYS 10 1.227 -1.919 5.975 69 HA LYS 10 HA LYS 10 1.680 -0.168 3.585 70 HB2 LYS 10 HB2 LYS 10 2.671 0.438 6.348 71 HB3 LYS 10 HB3 LYS 10 2.460 1.481 4.965 72 HG2 LYS 10 HG2 LYS 10 0.526 0.678 7.051 73 HG3 LYS 10 HG3 LYS 10 0.735 2.211 6.203 74 HD2 LYS 10 HD2 LYS 10 -0.392 1.009 4.215 75 HD3 LYS 10 HD3 LYS 10 -0.914 -0.189 5.374 76 HE2 LYS 10 HE2 LYS 10 -1.550 2.754 5.617 77 HE3 LYS 10 HE3 LYS 10 -2.606 1.522 4.917 78 HZ1 LYS 10 HZ1 LYS 10 -1.809 1.843 7.729 79 HZ2 LYS 10 HZ2 LYS 10 -3.301 1.573 7.118 80 HZ3 LYS 10 HZ3 LYS 10 -2.195 0.354 7.194 81 H ARG 11 HN ARG 11 3.353 -1.123 2.355 82 HA ARG 11 HA ARG 11 5.307 -2.810 3.843 83 HB2 ARG 11 HB2 ARG 11 4.371 -2.838 0.964 84 HB3 ARG 11 HB3 ARG 11 5.964 -3.423 1.409 85 HG2 ARG 11 HG2 ARG 11 4.882 -4.969 3.105 86 HG3 ARG 11 HG3 ARG 11 3.320 -4.579 2.359 87 HD2 ARG 11 HD2 ARG 11 4.240 -5.353 0.154 88 HD3 ARG 11 HD3 ARG 11 5.790 -5.694 0.950 89 HE ARG 11 HE ARG 11 3.866 -7.129 2.375 90 HH11 ARG 11 2HH2 ARG 11 5.158 -7.127 -0.955 91 HH12 ARG 11 1HH2 ARG 11 4.852 -8.832 -1.182 92 HH21 ARG 11 2HH1 ARG 11 3.575 -9.404 2.032 93 HH22 ARG 11 1HH1 ARG 11 3.811 -10.078 0.454 94 H MET 12 HN MET 12 7.458 -2.454 3.425 95 HA MET 12 HA MET 12 8.180 0.237 2.434 96 HB2 MET 12 HB2 MET 12 9.099 -0.957 4.577 97 HB3 MET 12 HB3 MET 12 10.138 -1.835 3.456 98 HG2 MET 12 HG2 MET 12 11.087 0.267 2.658 99 HG3 MET 12 HG3 MET 12 9.935 1.202 3.619 100 HE1 MET 12 HE1 MET 12 11.203 0.703 7.304 101 HE2 MET 12 HE2 MET 12 9.968 1.420 6.249 102 HE3 MET 12 HE3 MET 12 9.979 -0.331 6.546 103 H SER 13 HN SER 13 9.638 0.362 0.514 104 HA SER 13 HA SER 13 9.954 -2.192 -1.033 105 HB2 SER 13 HB2 SER 13 8.503 -0.796 -2.351 106 HB3 SER 13 HB3 SER 13 9.565 0.613 -2.131 107 HG SER 13 HG SER 13 9.792 -0.745 -4.169 108 H ARG 14 HN ARG 14 12.019 -2.800 -1.293 109 HA ARG 14 HA ARG 14 14.168 -1.341 -0.059 110 HB2 ARG 14 HB2 ARG 14 14.095 -3.777 -1.897 111 HB3 ARG 14 HB3 ARG 14 15.586 -3.062 -1.336 112 HG2 ARG 14 HG2 ARG 14 14.394 -3.311 1.074 113 HG3 ARG 14 HG3 ARG 14 13.525 -4.584 0.207 114 HD2 ARG 14 HD2 ARG 14 15.413 -5.600 1.259 115 HD3 ARG 14 HD3 ARG 14 15.792 -5.521 -0.469 116 HE ARG 14 HE ARG 14 16.802 -3.166 0.759 117 HH11 ARG 14 2HH2 ARG 14 17.495 -6.662 0.747 118 HH12 ARG 14 1HH2 ARG 14 19.199 -6.441 1.014 119 HH21 ARG 14 2HH1 ARG 14 18.931 -2.914 1.466 120 HH22 ARG 14 1HH1 ARG 14 19.988 -4.262 1.648 121 H SER 15 HN SER 15 12.806 -1.035 -3.306 122 HA SER 15 HA SER 15 14.979 -0.168 -4.659 123 HB2 SER 15 HB2 SER 15 12.240 -0.281 -5.075 124 HB3 SER 15 HB3 SER 15 12.557 1.454 -5.162 125 HG SER 15 HG SER 15 14.298 0.824 -6.716 126 H SER 16 HN SER 16 13.178 1.641 -2.167 127 HA SER 16 HA SER 16 15.143 3.864 -2.296 128 HB2 SER 16 HB2 SER 16 12.131 4.060 -2.451 129 HB3 SER 16 HB3 SER 16 13.236 5.421 -2.267 130 HG SER 16 HG SER 16 12.994 5.424 -4.347 131 H GLY 17 HN GLY 17 12.810 1.903 -0.435 132 HA2 GLY 17 HA1 GLY 17 12.310 1.972 1.802 133 HA3 GLY 17 HA2 GLY 17 13.263 3.453 2.007 134 H ARG 18 HN ARG 18 10.957 3.266 -0.604 135 HA ARG 18 HA ARG 18 9.028 5.173 0.581 136 HB2 ARG 18 HB2 ARG 18 8.789 3.125 -1.694 137 HB3 ARG 18 HB3 ARG 18 7.551 4.280 -1.262 138 HG2 ARG 18 HG2 ARG 18 9.035 6.185 -1.874 139 HG3 ARG 18 HG3 ARG 18 10.316 5.046 -2.279 140 HD2 ARG 18 HD2 ARG 18 8.325 4.001 -3.794 141 HD3 ARG 18 HD3 ARG 18 7.788 5.676 -3.749 142 HE ARG 18 HE ARG 18 9.799 6.366 -4.837 143 HH11 ARG 18 2HH2 ARG 18 9.325 2.817 -4.937 144 HH12 ARG 18 1HH2 ARG 18 10.458 2.622 -6.231 145 HH21 ARG 18 2HH1 ARG 18 11.374 6.060 -6.319 146 HH22 ARG 18 1HH1 ARG 18 11.800 4.488 -6.901 147 H VAL 19 HN VAL 19 6.874 4.588 1.069 148 HA VAL 19 HA VAL 19 6.662 1.882 2.142 149 HB VAL 19 HB VAL 19 7.052 3.621 3.779 150 HG11 VAL 19 1HG1 VAL 19 5.370 5.138 4.564 151 HG12 VAL 19 2HG1 VAL 19 5.755 5.515 2.879 152 HG13 VAL 19 3HG1 VAL 19 4.245 4.672 3.291 153 HG21 VAL 19 3HG2 VAL 19 4.397 2.110 3.895 154 HG22 VAL 19 1HG2 VAL 19 5.992 1.500 4.388 155 HG23 VAL 19 2HG2 VAL 19 5.212 2.790 5.317 156 H TYR 20 HN TYR 20 6.146 1.707 -0.257 157 HA TYR 20 HA TYR 20 3.596 2.709 -1.190 158 HB2 TYR 20 HB2 TYR 20 3.799 1.365 -3.055 159 HB3 TYR 20 HB3 TYR 20 5.406 1.985 -2.749 160 HD1 TYR 20 HD1 TYR 20 5.981 -0.225 -0.543 161 HD2 TYR 20 HD2 TYR 20 4.558 -0.342 -4.579 162 HE1 TYR 20 HE1 TYR 20 6.693 -2.596 -0.712 163 HE2 TYR 20 HE2 TYR 20 5.191 -2.739 -4.709 164 HH TYR 20 HH TYR 20 6.539 -4.629 -2.089 165 H TYR 21 HN TYR 21 1.617 1.998 -0.507 166 HA TYR 21 HA TYR 21 1.567 -0.104 1.540 167 HB2 TYR 21 HB2 TYR 21 -0.755 1.175 0.072 168 HB3 TYR 21 HB3 TYR 21 -0.826 0.131 1.500 169 HD1 TYR 21 HD1 TYR 21 1.933 2.246 2.203 170 HD2 TYR 21 HD2 TYR 21 -2.349 2.095 2.083 171 HE1 TYR 21 HE1 TYR 21 1.875 4.221 3.500 172 HE2 TYR 21 HE2 TYR 21 -2.419 4.020 3.703 173 HH TYR 21 HH TYR 21 0.168 6.134 4.218 174 H PHE 22 HN PHE 22 0.377 -2.154 1.212 175 HA PHE 22 HA PHE 22 0.169 -3.068 -1.575 176 HB2 PHE 22 HB2 PHE 22 2.361 -3.720 -1.290 177 HB3 PHE 22 HB3 PHE 22 2.208 -3.951 0.429 178 HD1 PHE 22 HD2 PHE 22 0.945 -5.995 1.336 179 HD2 PHE 22 HD1 PHE 22 2.142 -5.585 -2.794 180 HE1 PHE 22 HE2 PHE 22 0.667 -8.421 1.009 181 HE2 PHE 22 HE1 PHE 22 1.923 -8.024 -3.094 182 HZ PHE 22 HZ PHE 22 1.168 -9.459 -1.195 183 H ASN 23 HN ASN 23 -1.662 -4.060 -1.771 184 HA ASN 23 HA ASN 23 -3.536 -4.633 0.363 185 HB2 ASN 23 HB2 ASN 23 -3.976 -3.963 -1.986 186 HB3 ASN 23 HB3 ASN 23 -3.504 -5.594 -2.504 187 HD21 ASN 23 1HD2 ASN 23 -6.137 -3.638 -1.721 188 HD22 ASN 23 2HD2 ASN 23 -7.296 -4.935 -1.413 189 H HIS 24 HN HIS 24 -4.157 -6.705 0.981 190 HA HIS 24 HA HIS 24 -2.066 -8.753 0.545 191 HB2 HIS 24 HB2 HIS 24 -2.733 -9.594 2.752 192 HB3 HIS 24 HB3 HIS 24 -2.146 -7.943 2.785 193 HD1 HIS 24 HD1 HIS 24 -3.508 -6.291 4.112 194 HD2 HIS 24 HD2 HIS 24 -5.572 -9.812 3.094 195 HE1 HIS 24 HE1 HIS 24 -5.797 -6.143 5.201 196 H ILE 25 HN ILE 25 -4.752 -8.170 -0.820 197 HA ILE 25 HA ILE 25 -5.960 -10.882 -0.903 198 HB ILE 25 HB ILE 25 -7.368 -8.212 -1.204 199 HG12 ILE 25 2HG1 ILE 25 -7.390 -9.865 1.368 200 HG13 ILE 25 3HG1 ILE 25 -6.367 -8.459 1.121 201 HG21 ILE 25 1HG2 ILE 25 -8.407 -11.026 -0.795 202 HG22 ILE 25 2HG2 ILE 25 -9.389 -9.533 -0.991 203 HG23 ILE 25 3HG2 ILE 25 -8.395 -10.111 -2.309 204 HD11 ILE 25 3HD1 ILE 25 -8.305 -7.845 2.328 205 HD12 ILE 25 1HD1 ILE 25 -8.153 -6.990 0.772 206 HD13 ILE 25 2HD1 ILE 25 -9.343 -8.307 0.954 207 H THR 26 HN THR 26 -5.635 -7.717 -2.612 208 HA THR 26 HA THR 26 -5.855 -9.128 -5.149 209 HB THR 26 HB THR 26 -6.253 -6.953 -6.073 210 HG1 THR 26 HG1 THR 26 -6.192 -5.119 -4.727 211 HG21 THR 26 1HG2 THR 26 -8.096 -8.110 -4.702 212 HG22 THR 26 2HG2 THR 26 -7.698 -7.022 -3.364 213 HG23 THR 26 3HG2 THR 26 -8.298 -6.360 -4.895 214 H ASN 27 HN ASN 27 -3.434 -8.252 -3.118 215 HA ASN 27 HA ASN 27 -1.286 -7.833 -3.052 216 HB2 ASN 27 HB2 ASN 27 0.083 -9.202 -4.047 217 HB3 ASN 27 HB3 ASN 27 -1.419 -10.025 -4.424 218 HD21 ASN 27 1HD2 ASN 27 -2.182 -9.916 -6.664 219 HD22 ASN 27 2HD2 ASN 27 -1.020 -9.557 -7.954 220 H ALA 28 HN ALA 28 -2.978 -5.966 -5.223 221 HA ALA 28 HA ALA 28 -0.943 -4.588 -6.621 222 HB1 ALA 28 HB1 ALA 28 -3.347 -4.299 -7.053 223 HB2 ALA 28 HB2 ALA 28 -3.562 -3.531 -5.461 224 HB3 ALA 28 HB3 ALA 28 -2.589 -2.734 -6.716 225 H SER 29 HN SER 29 0.026 -2.428 -6.164 226 HA SER 29 HA SER 29 0.133 -1.703 -3.336 227 HB2 SER 29 HB2 SER 29 2.637 -1.241 -3.706 228 HB3 SER 29 HB3 SER 29 2.182 -2.898 -3.396 229 HG SER 29 HG SER 29 2.436 -3.434 -5.482 230 H GLN 30 HN GLN 30 1.043 0.601 -3.019 231 HA GLN 30 HA GLN 30 0.683 2.492 -5.146 232 HB2 GLN 30 HB2 GLN 30 -1.737 1.167 -4.242 233 HB3 GLN 30 HB3 GLN 30 -1.819 2.858 -3.785 234 HG2 GLN 30 HG2 GLN 30 -1.376 3.523 -6.135 235 HG3 GLN 30 HG3 GLN 30 -1.297 1.822 -6.599 236 HE21 GLN 30 1HE2 GLN 30 -3.384 4.464 -6.442 237 HE22 GLN 30 2HE2 GLN 30 -4.880 3.577 -6.552 238 H TRP 31 HN TRP 31 -0.379 4.643 -4.108 239 HA TRP 31 HA TRP 31 1.480 5.299 -1.896 240 HB2 TRP 31 HB2 TRP 31 0.150 7.076 -3.966 241 HB3 TRP 31 HB3 TRP 31 1.522 7.450 -2.958 242 HD1 TRP 31 HD1 TRP 31 0.833 6.906 -6.357 243 HE1 TRP 31 HE1 TRP 31 2.808 6.021 -7.712 244 HE3 TRP 31 HE3 TRP 31 3.792 5.224 -2.497 245 HZ2 TRP 31 HZ2 TRP 31 5.233 4.552 -7.207 246 HZ3 TRP 31 HZ3 TRP 31 5.927 4.126 -2.984 247 HH2 TRP 31 HH2 TRP 31 6.652 3.743 -5.355 248 H GLU 32 HN GLU 32 -1.827 5.144 -2.482 249 HA GLU 32 HA GLU 32 -2.716 7.554 -1.105 250 HB2 GLU 32 HB2 GLU 32 -4.194 5.105 -2.107 251 HB3 GLU 32 HB3 GLU 32 -5.009 6.542 -1.522 252 HG2 GLU 32 HG2 GLU 32 -3.110 6.580 -3.910 253 HG3 GLU 32 HG3 GLU 32 -4.828 6.244 -4.034 254 H ARG 33 HN ARG 33 -4.719 7.059 0.565 255 HA ARG 33 HA ARG 33 -3.681 5.200 2.653 256 HB2 ARG 33 HB2 ARG 33 -4.914 7.946 2.882 257 HB3 ARG 33 HB3 ARG 33 -4.901 6.812 4.229 258 HG2 ARG 33 HG2 ARG 33 -2.758 7.166 4.721 259 HG3 ARG 33 HG3 ARG 33 -2.228 7.000 3.067 260 HD2 ARG 33 HD2 ARG 33 -3.411 9.522 4.326 261 HD3 ARG 33 HD3 ARG 33 -1.695 9.231 4.041 262 HE ARG 33 HE ARG 33 -3.619 10.231 2.189 263 HH11 ARG 33 2HH2 ARG 33 -0.712 8.124 2.248 264 HH12 ARG 33 1HH2 ARG 33 -0.477 8.202 0.545 265 HH21 ARG 33 2HH1 ARG 33 -3.005 10.657 0.034 266 HH22 ARG 33 1HH1 ARG 33 -1.723 9.791 -0.730 267 HA PRO 34 HA PRO 34 -7.733 3.538 1.459 268 HB2 PRO 34 HB2 PRO 34 -7.364 1.142 3.039 269 HB3 PRO 34 HB3 PRO 34 -7.276 1.387 1.279 270 HG2 PRO 34 HG2 PRO 34 -5.092 0.873 3.008 271 HG3 PRO 34 HG3 PRO 34 -5.123 1.115 1.266 272 HD2 PRO 34 HD2 PRO 34 -4.298 2.959 3.377 273 HD3 PRO 34 HD3 PRO 34 -4.118 3.187 1.630 274 H SER 35 HN SER 35 -9.684 2.954 2.521 275 HA SER 35 HA SER 35 -9.887 3.642 5.405 276 HB2 SER 35 HB2 SER 35 -11.618 4.892 3.246 277 HB3 SER 35 HB3 SER 35 -11.618 5.254 4.982 278 HG SER 35 HG SER 35 -10.341 6.784 4.366 279 H GLY 36 HN GLY 36 -11.722 2.514 2.415 280 HA2 GLY 36 HA1 GLY 36 -12.759 0.163 3.306 281 HA3 GLY 36 HA2 GLY 36 -13.832 1.429 3.947 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -8.667 -0.788 -7.484 2 H2 GLY 1 H2 GLY 1 -9.670 -0.360 -6.246 3 H3 GLY 1 H3 GLY 1 -10.177 -0.230 -7.808 4 HA2 GLY 1 HA1 GLY 1 -7.956 1.331 -6.710 5 HA3 GLY 1 HA2 GLY 1 -8.733 1.512 -8.298 6 H SER 2 HN SER 2 -9.324 3.682 -7.874 7 HA SER 2 HA SER 2 -10.476 5.437 -7.116 8 HB2 SER 2 HB2 SER 2 -12.573 3.507 -6.099 9 HB3 SER 2 HB3 SER 2 -12.766 5.226 -6.473 10 HG SER 2 HG SER 2 -12.281 4.755 -8.648 11 H LYS 3 HN LYS 3 -8.900 6.066 -5.735 12 HA LYS 3 HA LYS 3 -7.583 6.267 -3.938 13 HB2 LYS 3 HB2 LYS 3 -10.007 5.821 -2.156 14 HB3 LYS 3 HB3 LYS 3 -8.422 6.432 -1.688 15 HG2 LYS 3 HG2 LYS 3 -9.397 8.451 -1.925 16 HG3 LYS 3 HG3 LYS 3 -8.952 8.232 -3.622 17 HD2 LYS 3 HD2 LYS 3 -11.280 7.209 -3.968 18 HD3 LYS 3 HD3 LYS 3 -11.640 7.671 -2.300 19 HE2 LYS 3 HE2 LYS 3 -11.160 10.043 -2.851 20 HE3 LYS 3 HE3 LYS 3 -10.761 9.578 -4.513 21 HZ1 LYS 3 HZ1 LYS 3 -12.995 10.421 -4.279 22 HZ2 LYS 3 HZ2 LYS 3 -13.023 8.843 -4.813 23 HZ3 LYS 3 HZ3 LYS 3 -13.403 9.205 -3.249 24 H LEU 4 HN LEU 4 -8.546 4.333 -1.478 25 HA LEU 4 HA LEU 4 -7.682 1.814 -2.713 26 HB2 LEU 4 HB2 LEU 4 -6.457 3.131 -0.295 27 HB3 LEU 4 HB3 LEU 4 -6.252 1.408 -0.621 28 HG LEU 4 HG LEU 4 -5.371 3.584 -2.527 29 HD11 LEU 4 1HD1 LEU 4 -3.043 3.254 -1.737 30 HD12 LEU 4 2HD1 LEU 4 -4.057 3.731 -0.381 31 HD13 LEU 4 3HD1 LEU 4 -3.582 2.038 -0.568 32 HD21 LEU 4 3HD2 LEU 4 -5.596 1.308 -3.452 33 HD22 LEU 4 1HD2 LEU 4 -3.896 1.798 -3.376 34 HD23 LEU 4 2HD2 LEU 4 -4.560 0.739 -2.128 35 HA PRO 5 HA PRO 5 -10.914 0.601 0.336 36 HB2 PRO 5 HB2 PRO 5 -10.734 -2.111 0.018 37 HB3 PRO 5 HB3 PRO 5 -11.443 -1.022 -1.224 38 HG2 PRO 5 HG2 PRO 5 -8.754 -2.313 -1.103 39 HG3 PRO 5 HG3 PRO 5 -9.784 -2.103 -2.528 40 HD2 PRO 5 HD2 PRO 5 -7.640 -0.413 -1.867 41 HD3 PRO 5 HD3 PRO 5 -9.011 0.056 -2.896 42 HA PRO 6 HA PRO 6 -8.553 -1.363 3.768 43 HB2 PRO 6 HB2 PRO 6 -10.386 -3.099 4.899 44 HB3 PRO 6 HB3 PRO 6 -10.442 -1.329 5.145 45 HG2 PRO 6 HG2 PRO 6 -11.991 -2.951 3.098 46 HG3 PRO 6 HG3 PRO 6 -12.627 -1.735 4.257 47 HD2 PRO 6 HD2 PRO 6 -12.047 -1.098 1.687 48 HD3 PRO 6 HD3 PRO 6 -11.684 0.048 3.013 49 H GLY 7 HN GLY 7 -7.664 -3.620 4.240 50 HA2 GLY 7 HA1 GLY 7 -7.500 -5.968 3.557 51 HA3 GLY 7 HA2 GLY 7 -7.897 -5.489 1.910 52 H TRP 8 HN TRP 8 -5.662 -3.645 3.971 53 HA TRP 8 HA TRP 8 -3.482 -4.163 2.009 54 HB2 TRP 8 HB2 TRP 8 -4.689 -1.581 3.077 55 HB3 TRP 8 HB3 TRP 8 -3.129 -1.663 2.267 56 HD1 TRP 8 HD1 TRP 8 -6.859 -2.644 1.409 57 HE1 TRP 8 HE1 TRP 8 -7.178 -2.499 -1.008 58 HE3 TRP 8 HE3 TRP 8 -2.167 -1.160 0.041 59 HZ2 TRP 8 HZ2 TRP 8 -5.809 -1.616 -3.246 60 HZ3 TRP 8 HZ3 TRP 8 -1.627 -0.923 -2.421 61 HH2 TRP 8 HH2 TRP 8 -3.417 -1.227 -4.104 62 H GLU 9 HN GLU 9 -1.419 -3.068 2.895 63 HA GLU 9 HA GLU 9 -1.218 -2.791 5.780 64 HB2 GLU 9 HB2 GLU 9 -0.751 -5.215 5.273 65 HB3 GLU 9 HB3 GLU 9 0.546 -4.718 4.181 66 HG2 GLU 9 HG2 GLU 9 1.813 -3.786 6.020 67 HG3 GLU 9 HG3 GLU 9 0.443 -3.976 7.135 68 H LYS 10 HN LYS 10 0.656 -1.319 6.189 69 HA LYS 10 HA LYS 10 1.407 0.159 3.710 70 HB2 LYS 10 HB2 LYS 10 2.236 1.053 6.453 71 HB3 LYS 10 HB3 LYS 10 2.081 1.956 4.962 72 HG2 LYS 10 HG2 LYS 10 0.052 1.176 6.972 73 HG3 LYS 10 HG3 LYS 10 0.327 2.730 6.187 74 HD2 LYS 10 HD2 LYS 10 -0.726 1.615 4.103 75 HD3 LYS 10 HD3 LYS 10 -1.277 0.348 5.179 76 HE2 LYS 10 HE2 LYS 10 -1.872 3.304 5.568 77 HE3 LYS 10 HE3 LYS 10 -2.962 2.138 4.807 78 HZ1 LYS 10 HZ1 LYS 10 -2.983 0.894 6.875 79 HZ2 LYS 10 HZ2 LYS 10 -2.038 2.024 7.624 80 HZ3 LYS 10 HZ3 LYS 10 -3.530 2.423 7.095 81 H ARG 11 HN ARG 11 2.726 -1.305 2.776 82 HA ARG 11 HA ARG 11 4.694 -2.811 4.389 83 HB2 ARG 11 HB2 ARG 11 3.076 -3.848 2.712 84 HB3 ARG 11 HB3 ARG 11 4.005 -3.071 1.430 85 HG2 ARG 11 HG2 ARG 11 5.471 -4.765 1.453 86 HG3 ARG 11 HG3 ARG 11 5.835 -4.507 3.155 87 HD2 ARG 11 HD2 ARG 11 3.829 -5.932 3.744 88 HD3 ARG 11 HD3 ARG 11 3.587 -6.222 2.027 89 HE ARG 11 HE ARG 11 5.072 -7.883 2.159 90 HH11 ARG 11 2HH2 ARG 11 5.826 -5.828 4.938 91 HH12 ARG 11 1HH2 ARG 11 7.236 -6.708 5.405 92 HH21 ARG 11 2HH1 ARG 11 6.954 -9.092 2.783 93 HH22 ARG 11 1HH1 ARG 11 7.966 -8.451 4.050 94 H MET 12 HN MET 12 6.925 -3.031 2.929 95 HA MET 12 HA MET 12 7.743 -0.209 2.401 96 HB2 MET 12 HB2 MET 12 9.212 -2.313 4.043 97 HB3 MET 12 HB3 MET 12 9.824 -0.703 3.592 98 HG2 MET 12 HG2 MET 12 7.822 0.317 4.651 99 HG3 MET 12 HG3 MET 12 7.325 -1.263 5.245 100 HE1 MET 12 HE1 MET 12 8.234 0.903 8.356 101 HE2 MET 12 HE2 MET 12 7.790 1.623 6.794 102 HE3 MET 12 HE3 MET 12 6.940 0.179 7.371 103 H SER 13 HN SER 13 9.087 0.119 0.697 104 HA SER 13 HA SER 13 9.631 -2.228 -1.065 105 HB2 SER 13 HB2 SER 13 7.734 -0.788 -1.833 106 HB3 SER 13 HB3 SER 13 8.831 0.597 -1.878 107 HG SER 13 HG SER 13 8.469 -0.534 -3.899 108 H ARG 14 HN ARG 14 11.576 -2.132 -2.146 109 HA ARG 14 HA ARG 14 13.828 -1.901 -2.193 110 HB2 ARG 14 HB2 ARG 14 14.536 0.375 -3.124 111 HB3 ARG 14 HB3 ARG 14 13.474 -0.684 -4.032 112 HG2 ARG 14 HG2 ARG 14 11.496 0.678 -3.248 113 HG3 ARG 14 HG3 ARG 14 12.637 1.835 -2.537 114 HD2 ARG 14 HD2 ARG 14 13.491 2.389 -4.739 115 HD3 ARG 14 HD3 ARG 14 12.782 0.927 -5.429 116 HE ARG 14 HE ARG 14 10.779 1.898 -5.696 117 HH11 ARG 14 2HH2 ARG 14 12.746 4.143 -3.743 118 HH12 ARG 14 1HH2 ARG 14 11.610 5.445 -3.956 119 HH21 ARG 14 2HH1 ARG 14 9.328 3.503 -5.843 120 HH22 ARG 14 1HH1 ARG 14 9.495 5.027 -5.004 121 H SER 15 HN SER 15 13.999 -2.452 -0.036 122 HA SER 15 HA SER 15 14.442 -2.303 2.125 123 HB2 SER 15 HB2 SER 15 15.869 0.318 1.543 124 HB3 SER 15 HB3 SER 15 16.065 -0.715 2.971 125 HG SER 15 HG SER 15 16.943 -2.303 1.674 126 H SER 16 HN SER 16 14.228 1.241 2.196 127 HA SER 16 HA SER 16 11.356 1.158 2.816 128 HB2 SER 16 HB2 SER 16 13.546 1.649 4.754 129 HB3 SER 16 HB3 SER 16 12.386 2.976 4.684 130 HG SER 16 HG SER 16 11.883 0.239 5.245 131 H GLY 17 HN GLY 17 12.872 1.927 0.440 132 HA2 GLY 17 HA1 GLY 17 13.157 4.769 0.242 133 HA3 GLY 17 HA2 GLY 17 12.881 3.632 -1.088 134 H ARG 18 HN ARG 18 10.352 2.680 0.272 135 HA ARG 18 HA ARG 18 8.634 5.000 0.643 136 HB2 ARG 18 HB2 ARG 18 8.124 2.858 -1.502 137 HB3 ARG 18 HB3 ARG 18 6.814 3.733 -0.809 138 HG2 ARG 18 HG2 ARG 18 9.017 5.350 -2.139 139 HG3 ARG 18 HG3 ARG 18 7.855 4.486 -3.098 140 HD2 ARG 18 HD2 ARG 18 6.822 6.544 -2.921 141 HD3 ARG 18 HD3 ARG 18 6.008 5.632 -1.668 142 HE ARG 18 HE ARG 18 6.877 6.995 -0.056 143 HH11 ARG 18 2HH2 ARG 18 8.458 7.721 -3.180 144 HH12 ARG 18 1HH2 ARG 18 9.016 9.279 -2.659 145 HH21 ARG 18 2HH1 ARG 18 7.881 8.972 0.672 146 HH22 ARG 18 1HH1 ARG 18 8.735 9.955 -0.469 147 H VAL 19 HN VAL 19 6.672 4.467 1.478 148 HA VAL 19 HA VAL 19 6.477 1.775 2.633 149 HB VAL 19 HB VAL 19 6.835 3.790 4.094 150 HG11 VAL 19 1HG1 VAL 19 5.082 5.299 3.116 151 HG12 VAL 19 2HG1 VAL 19 3.851 4.273 3.889 152 HG13 VAL 19 3HG1 VAL 19 5.033 5.114 4.886 153 HG21 VAL 19 3HG2 VAL 19 5.323 2.785 5.856 154 HG22 VAL 19 1HG2 VAL 19 4.436 1.937 4.576 155 HG23 VAL 19 2HG2 VAL 19 6.125 1.543 4.901 156 H TYR 20 HN TYR 20 5.940 1.392 0.297 157 HA TYR 20 HA TYR 20 3.576 2.583 -0.854 158 HB2 TYR 20 HB2 TYR 20 3.696 1.024 -2.593 159 HB3 TYR 20 HB3 TYR 20 5.320 1.586 -2.271 160 HD1 TYR 20 HD1 TYR 20 5.383 -0.570 0.199 161 HD2 TYR 20 HD2 TYR 20 4.845 -0.649 -4.029 162 HE1 TYR 20 HE1 TYR 20 6.201 -2.941 0.159 163 HE2 TYR 20 HE2 TYR 20 5.546 -3.002 -4.074 164 HH TYR 20 HH TYR 20 6.216 -4.991 -1.344 165 H TYR 21 HN TYR 21 1.464 1.893 -0.757 166 HA TYR 21 HA TYR 21 0.864 0.109 1.537 167 HB2 TYR 21 HB2 TYR 21 -0.896 1.651 -0.404 168 HB3 TYR 21 HB3 TYR 21 -1.481 0.631 0.912 169 HD1 TYR 21 HD1 TYR 21 1.524 2.347 2.105 170 HD2 TYR 21 HD2 TYR 21 -2.680 2.754 1.411 171 HE1 TYR 21 HE1 TYR 21 1.495 4.207 3.504 172 HE2 TYR 21 HE2 TYR 21 -2.765 4.519 3.247 173 HH TYR 21 HH TYR 21 0.170 5.354 5.036 174 H PHE 22 HN PHE 22 0.254 -2.058 1.235 175 HA PHE 22 HA PHE 22 0.188 -3.038 -1.566 176 HB2 PHE 22 HB2 PHE 22 2.360 -3.595 -0.944 177 HB3 PHE 22 HB3 PHE 22 1.907 -3.968 0.709 178 HD1 PHE 22 HD2 PHE 22 1.935 -5.239 -2.761 179 HD2 PHE 22 HD1 PHE 22 0.970 -6.139 1.343 180 HE1 PHE 22 HE2 PHE 22 1.722 -7.618 -3.335 181 HE2 PHE 22 HE1 PHE 22 0.732 -8.536 0.762 182 HZ PHE 22 HZ PHE 22 1.059 -9.283 -1.589 183 H ASN 23 HN ASN 23 -1.581 -4.037 -1.988 184 HA ASN 23 HA ASN 23 -3.641 -4.729 -0.035 185 HB2 ASN 23 HB2 ASN 23 -3.824 -3.937 -2.418 186 HB3 ASN 23 HB3 ASN 23 -3.549 -5.591 -2.943 187 HD21 ASN 23 1HD2 ASN 23 -5.573 -5.877 -0.150 188 HD22 ASN 23 2HD2 ASN 23 -7.042 -5.679 -1.047 189 H HIS 24 HN HIS 24 -3.780 -6.525 0.692 190 HA HIS 24 HA HIS 24 -1.789 -8.642 0.085 191 HB2 HIS 24 HB2 HIS 24 -2.147 -9.338 2.401 192 HB3 HIS 24 HB3 HIS 24 -1.895 -7.605 2.318 193 HD1 HIS 24 HD1 HIS 24 -3.218 -6.375 4.104 194 HD2 HIS 24 HD2 HIS 24 -5.154 -9.791 2.546 195 HE1 HIS 24 HE1 HIS 24 -5.475 -6.484 5.202 196 H ILE 25 HN ILE 25 -4.488 -8.157 -1.172 197 HA ILE 25 HA ILE 25 -5.729 -10.850 -0.966 198 HB ILE 25 HB ILE 25 -7.019 -8.161 -1.514 199 HG12 ILE 25 2HG1 ILE 25 -6.924 -9.863 1.033 200 HG13 ILE 25 3HG1 ILE 25 -6.124 -8.308 0.791 201 HG21 ILE 25 1HG2 ILE 25 -8.204 -10.917 -1.004 202 HG22 ILE 25 2HG2 ILE 25 -9.132 -9.417 -1.236 203 HG23 ILE 25 3HG2 ILE 25 -8.175 -10.076 -2.566 204 HD11 ILE 25 3HD1 ILE 25 -7.949 -7.936 2.143 205 HD12 ILE 25 1HD1 ILE 25 -8.236 -7.178 0.559 206 HD13 ILE 25 2HD1 ILE 25 -9.070 -8.703 1.001 207 H THR 26 HN THR 26 -5.514 -8.034 -3.248 208 HA THR 26 HA THR 26 -5.487 -9.935 -5.395 209 HB THR 26 HB THR 26 -5.738 -7.982 -6.779 210 HG1 THR 26 HG1 THR 26 -5.090 -6.101 -6.178 211 HG21 THR 26 1HG2 THR 26 -7.671 -8.761 -5.273 212 HG22 THR 26 2HG2 THR 26 -7.265 -7.442 -4.167 213 HG23 THR 26 3HG2 THR 26 -7.777 -7.071 -5.818 214 H ASN 27 HN ASN 27 -3.187 -8.541 -3.497 215 HA ASN 27 HA ASN 27 -0.938 -8.133 -3.487 216 HB2 ASN 27 HB2 ASN 27 -0.575 -10.395 -3.700 217 HB3 ASN 27 HB3 ASN 27 -0.911 -10.384 -5.437 218 HD21 ASN 27 1HD2 ASN 27 1.611 -11.145 -3.685 219 HD22 ASN 27 2HD2 ASN 27 2.873 -10.251 -4.504 220 H ALA 28 HN ALA 28 -1.299 -6.060 -3.998 221 HA ALA 28 HA ALA 28 -0.251 -5.140 -6.557 222 HB1 ALA 28 HB1 ALA 28 -2.962 -4.244 -5.439 223 HB2 ALA 28 HB2 ALA 28 -2.082 -3.442 -6.755 224 HB3 ALA 28 HB3 ALA 28 -2.674 -5.092 -6.973 225 H SER 29 HN SER 29 0.383 -2.770 -6.239 226 HA SER 29 HA SER 29 0.240 -1.881 -3.462 227 HB2 SER 29 HB2 SER 29 2.708 -1.357 -3.450 228 HB3 SER 29 HB3 SER 29 2.293 -3.057 -3.276 229 HG SER 29 HG SER 29 3.128 -3.531 -5.114 230 H GLN 30 HN GLN 30 1.000 0.413 -3.131 231 HA GLN 30 HA GLN 30 0.565 2.151 -5.459 232 HB2 GLN 30 HB2 GLN 30 -1.721 0.945 -3.958 233 HB3 GLN 30 HB3 GLN 30 -1.819 2.686 -4.093 234 HG2 GLN 30 HG2 GLN 30 -1.658 2.585 -6.532 235 HG3 GLN 30 HG3 GLN 30 -1.475 0.828 -6.472 236 HE21 GLN 30 1HE2 GLN 30 -3.926 3.507 -6.110 237 HE22 GLN 30 2HE2 GLN 30 -5.219 2.374 -5.927 238 H TRP 31 HN TRP 31 -0.273 4.333 -4.658 239 HA TRP 31 HA TRP 31 1.503 5.216 -2.458 240 HB2 TRP 31 HB2 TRP 31 0.491 6.719 -4.901 241 HB3 TRP 31 HB3 TRP 31 1.852 7.114 -3.873 242 HD1 TRP 31 HD1 TRP 31 1.121 5.687 -7.126 243 HE1 TRP 31 HE1 TRP 31 2.970 4.129 -8.027 244 HE3 TRP 31 HE3 TRP 31 3.795 4.992 -2.829 245 HZ2 TRP 31 HZ2 TRP 31 5.416 2.982 -7.088 246 HZ3 TRP 31 HZ3 TRP 31 5.810 3.581 -2.850 247 HH2 TRP 31 HH2 TRP 31 6.676 2.600 -4.964 248 H GLU 32 HN GLU 32 -1.682 5.124 -3.323 249 HA GLU 32 HA GLU 32 -2.828 7.556 -2.168 250 HB2 GLU 32 HB2 GLU 32 -3.911 4.934 -3.249 251 HB3 GLU 32 HB3 GLU 32 -4.945 6.289 -2.750 252 HG2 GLU 32 HG2 GLU 32 -3.761 7.712 -4.445 253 HG3 GLU 32 HG3 GLU 32 -2.808 6.315 -4.944 254 H ARG 33 HN ARG 33 -4.885 6.827 -0.578 255 HA ARG 33 HA ARG 33 -3.781 4.971 1.474 256 HB2 ARG 33 HB2 ARG 33 -4.282 6.441 3.306 257 HB3 ARG 33 HB3 ARG 33 -3.151 7.199 2.189 258 HG2 ARG 33 HG2 ARG 33 -5.066 8.556 1.254 259 HG3 ARG 33 HG3 ARG 33 -6.130 7.789 2.445 260 HD2 ARG 33 HD2 ARG 33 -5.600 9.842 3.399 261 HD3 ARG 33 HD3 ARG 33 -4.603 8.651 4.247 262 HE ARG 33 HE ARG 33 -3.125 9.764 2.064 263 HH11 ARG 33 2HH2 ARG 33 -4.349 10.624 5.288 264 HH12 ARG 33 1HH2 ARG 33 -3.058 11.719 5.643 265 HH21 ARG 33 2HH1 ARG 33 -1.462 11.203 2.493 266 HH22 ARG 33 1HH1 ARG 33 -1.348 12.034 4.036 267 HA PRO 34 HA PRO 34 -8.163 3.795 1.675 268 HB2 PRO 34 HB2 PRO 34 -7.986 1.389 2.894 269 HB3 PRO 34 HB3 PRO 34 -7.517 1.686 1.217 270 HG2 PRO 34 HG2 PRO 34 -5.713 1.252 3.517 271 HG3 PRO 34 HG3 PRO 34 -5.554 0.774 1.800 272 HD2 PRO 34 HD2 PRO 34 -4.378 3.052 2.961 273 HD3 PRO 34 HD3 PRO 34 -4.642 2.701 1.246 274 H SER 35 HN SER 35 -9.763 3.708 3.315 275 HA SER 35 HA SER 35 -8.873 4.544 6.022 276 HB2 SER 35 HB2 SER 35 -10.821 5.985 4.191 277 HB3 SER 35 HB3 SER 35 -10.365 6.474 5.837 278 HG SER 35 HG SER 35 -9.257 7.348 3.766 279 H GLY 36 HN GLY 36 -10.649 2.224 4.408 280 HA2 GLY 36 HA1 GLY 36 -12.848 1.988 6.295 281 HA3 GLY 36 HA2 GLY 36 -12.192 0.725 5.232 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -14.936 3.639 0.460 2 H2 GLY 1 H2 GLY 1 -14.056 4.417 -0.691 3 H3 GLY 1 H3 GLY 1 -15.679 4.183 -0.913 4 HA2 GLY 1 HA1 GLY 1 -13.745 1.996 -0.635 5 HA3 GLY 1 HA2 GLY 1 -15.448 1.874 -1.101 6 H SER 2 HN SER 2 -12.332 3.398 -2.122 7 HA SER 2 HA SER 2 -12.747 2.392 -4.779 8 HB2 SER 2 HB2 SER 2 -14.137 4.416 -4.942 9 HB3 SER 2 HB3 SER 2 -12.775 5.407 -4.391 10 HG SER 2 HG SER 2 -12.469 5.557 -6.447 11 H LYS 3 HN LYS 3 -10.895 5.287 -4.053 12 HA LYS 3 HA LYS 3 -8.660 4.984 -5.211 13 HB2 LYS 3 HB2 LYS 3 -7.427 6.103 -3.305 14 HB3 LYS 3 HB3 LYS 3 -8.844 6.906 -3.952 15 HG2 LYS 3 HG2 LYS 3 -10.158 6.460 -2.027 16 HG3 LYS 3 HG3 LYS 3 -9.075 5.200 -1.431 17 HD2 LYS 3 HD2 LYS 3 -7.283 6.822 -1.088 18 HD3 LYS 3 HD3 LYS 3 -8.331 8.122 -1.681 19 HE2 LYS 3 HE2 LYS 3 -9.910 7.493 0.265 20 HE3 LYS 3 HE3 LYS 3 -8.559 6.506 0.867 21 HZ1 LYS 3 HZ1 LYS 3 -8.126 8.490 1.853 22 HZ2 LYS 3 HZ2 LYS 3 -7.257 8.700 0.463 23 HZ3 LYS 3 HZ3 LYS 3 -8.737 9.409 0.614 24 H LEU 4 HN LEU 4 -8.513 3.707 -1.894 25 HA LEU 4 HA LEU 4 -7.226 1.299 -2.886 26 HB2 LEU 4 HB2 LEU 4 -6.423 2.738 -0.336 27 HB3 LEU 4 HB3 LEU 4 -6.246 1.009 -0.600 28 HG LEU 4 HG LEU 4 -4.766 1.563 -2.596 29 HD11 LEU 4 1HD1 LEU 4 -3.606 3.795 -2.375 30 HD12 LEU 4 2HD1 LEU 4 -5.287 3.904 -2.899 31 HD13 LEU 4 3HD1 LEU 4 -4.881 4.257 -1.204 32 HD21 LEU 4 3HD2 LEU 4 -2.829 1.530 -1.333 33 HD22 LEU 4 1HD2 LEU 4 -3.409 2.674 -0.144 34 HD23 LEU 4 2HD2 LEU 4 -3.982 0.994 -0.100 35 HA PRO 5 HA PRO 5 -11.016 0.233 -0.378 36 HB2 PRO 5 HB2 PRO 5 -10.613 -2.513 -0.265 37 HB3 PRO 5 HB3 PRO 5 -11.387 -1.663 -1.623 38 HG2 PRO 5 HG2 PRO 5 -8.620 -2.738 -1.382 39 HG3 PRO 5 HG3 PRO 5 -9.657 -2.679 -2.832 40 HD2 PRO 5 HD2 PRO 5 -7.612 -0.854 -2.336 41 HD3 PRO 5 HD3 PRO 5 -9.036 -0.483 -3.299 42 HA PRO 6 HA PRO 6 -8.863 -1.013 3.521 43 HB2 PRO 6 HB2 PRO 6 -10.721 -2.548 4.837 44 HB3 PRO 6 HB3 PRO 6 -10.856 -0.765 4.718 45 HG2 PRO 6 HG2 PRO 6 -12.258 -2.849 3.021 46 HG3 PRO 6 HG3 PRO 6 -12.954 -1.393 3.790 47 HD2 PRO 6 HD2 PRO 6 -12.152 -1.527 1.155 48 HD3 PRO 6 HD3 PRO 6 -12.114 -0.010 2.078 49 H GLY 7 HN GLY 7 -7.720 -3.087 4.182 50 HA2 GLY 7 HA1 GLY 7 -7.560 -5.557 3.866 51 HA3 GLY 7 HA2 GLY 7 -8.076 -5.321 2.215 52 H TRP 8 HN TRP 8 -5.673 -3.408 4.080 53 HA TRP 8 HA TRP 8 -3.608 -4.091 2.043 54 HB2 TRP 8 HB2 TRP 8 -4.576 -1.413 3.095 55 HB3 TRP 8 HB3 TRP 8 -3.047 -1.641 2.268 56 HD1 TRP 8 HD1 TRP 8 -6.848 -2.378 1.437 57 HE1 TRP 8 HE1 TRP 8 -7.241 -1.896 -0.886 58 HE3 TRP 8 HE3 TRP 8 -2.083 -1.318 0.040 59 HZ2 TRP 8 HZ2 TRP 8 -5.736 -1.075 -3.253 60 HZ3 TRP 8 HZ3 TRP 8 -1.571 -1.027 -2.460 61 HH2 TRP 8 HH2 TRP 8 -3.404 -0.904 -4.060 62 H GLU 9 HN GLU 9 -1.462 -3.586 2.735 63 HA GLU 9 HA GLU 9 -0.863 -3.675 5.635 64 HB2 GLU 9 HB2 GLU 9 -1.005 -5.919 5.024 65 HB3 GLU 9 HB3 GLU 9 -0.382 -5.666 3.405 66 HG2 GLU 9 HG2 GLU 9 1.864 -5.518 4.130 67 HG3 GLU 9 HG3 GLU 9 1.391 -5.200 5.802 68 H LYS 10 HN LYS 10 1.247 -2.726 6.062 69 HA LYS 10 HA LYS 10 1.739 -0.629 4.004 70 HB2 LYS 10 HB2 LYS 10 2.173 -0.804 7.004 71 HB3 LYS 10 HB3 LYS 10 2.658 0.567 6.038 72 HG2 LYS 10 HG2 LYS 10 0.338 0.342 7.422 73 HG3 LYS 10 HG3 LYS 10 0.654 1.500 6.163 74 HD2 LYS 10 HD2 LYS 10 -0.533 0.050 4.517 75 HD3 LYS 10 HD3 LYS 10 -0.880 -1.119 5.776 76 HE2 LYS 10 HE2 LYS 10 -1.777 1.765 5.803 77 HE3 LYS 10 HE3 LYS 10 -2.769 0.390 5.323 78 HZ1 LYS 10 HZ1 LYS 10 -1.712 1.092 7.977 79 HZ2 LYS 10 HZ2 LYS 10 -3.264 0.848 7.564 80 HZ3 LYS 10 HZ3 LYS 10 -2.226 -0.447 7.685 81 H ARG 11 HN ARG 11 3.681 -0.733 2.833 82 HA ARG 11 HA ARG 11 5.821 -2.502 3.923 83 HB2 ARG 11 HB2 ARG 11 4.368 -2.541 1.255 84 HB3 ARG 11 HB3 ARG 11 5.916 -3.338 1.520 85 HG2 ARG 11 HG2 ARG 11 4.595 -4.461 3.583 86 HG3 ARG 11 HG3 ARG 11 3.195 -4.037 2.602 87 HD2 ARG 11 HD2 ARG 11 3.783 -6.235 1.947 88 HD3 ARG 11 HD3 ARG 11 4.396 -5.202 0.655 89 HE ARG 11 HE ARG 11 6.334 -5.833 2.807 90 HH11 ARG 11 2HH2 ARG 11 4.800 -7.246 -0.032 91 HH12 ARG 11 1HH2 ARG 11 6.189 -8.093 -0.577 92 HH21 ARG 11 2HH1 ARG 11 8.237 -7.138 2.144 93 HH22 ARG 11 1HH1 ARG 11 7.935 -8.280 0.879 94 H MET 12 HN MET 12 7.909 -2.197 2.991 95 HA MET 12 HA MET 12 8.258 0.653 2.525 96 HB2 MET 12 HB2 MET 12 9.682 -0.786 4.108 97 HB3 MET 12 HB3 MET 12 10.530 -1.330 2.646 98 HG2 MET 12 HG2 MET 12 10.889 1.113 2.062 99 HG3 MET 12 HG3 MET 12 10.149 1.551 3.596 100 HE1 MET 12 HE1 MET 12 11.117 1.344 5.822 101 HE2 MET 12 HE2 MET 12 11.331 -0.419 5.781 102 HE3 MET 12 HE3 MET 12 12.684 0.631 6.267 103 H SER 13 HN SER 13 8.878 1.606 0.615 104 HA SER 13 HA SER 13 9.288 -0.108 -1.798 105 HB2 SER 13 HB2 SER 13 7.578 1.953 -1.755 106 HB3 SER 13 HB3 SER 13 9.049 2.907 -1.853 107 HG SER 13 HG SER 13 7.880 1.160 -3.700 108 H ARG 14 HN ARG 14 11.163 -0.008 -2.785 109 HA ARG 14 HA ARG 14 13.281 0.415 -3.368 110 HB2 ARG 14 HB2 ARG 14 11.587 2.161 -4.307 111 HB3 ARG 14 HB3 ARG 14 12.481 3.330 -3.353 112 HG2 ARG 14 HG2 ARG 14 13.507 1.538 -5.595 113 HG3 ARG 14 HG3 ARG 14 13.233 3.277 -5.664 114 HD2 ARG 14 HD2 ARG 14 15.046 3.626 -3.990 115 HD3 ARG 14 HD3 ARG 14 15.380 1.885 -4.006 116 HE ARG 14 HE ARG 14 16.117 3.860 -6.012 117 HH11 ARG 14 2HH2 ARG 14 15.593 0.314 -5.579 118 HH12 ARG 14 1HH2 ARG 14 16.686 -0.041 -6.879 119 HH21 ARG 14 2HH1 ARG 14 17.275 3.317 -7.772 120 HH22 ARG 14 1HH1 ARG 14 17.602 1.670 -8.195 121 H SER 15 HN SER 15 14.456 -0.310 -1.613 122 HA SER 15 HA SER 15 16.123 -0.198 -0.113 123 HB2 SER 15 HB2 SER 15 17.061 1.307 -1.978 124 HB3 SER 15 HB3 SER 15 16.627 2.683 -0.950 125 HG SER 15 HG SER 15 18.786 1.930 -0.711 126 H SER 16 HN SER 16 16.843 2.116 1.638 127 HA SER 16 HA SER 16 14.619 2.116 3.474 128 HB2 SER 16 HB2 SER 16 16.953 4.038 3.434 129 HB3 SER 16 HB3 SER 16 15.954 3.538 4.814 130 HG SER 16 HG SER 16 16.766 1.336 4.274 131 H GLY 17 HN GLY 17 13.005 2.729 1.700 132 HA2 GLY 17 HA1 GLY 17 13.013 5.614 1.015 133 HA3 GLY 17 HA2 GLY 17 12.398 4.292 0.033 134 H ARG 18 HN ARG 18 10.286 4.151 0.020 135 HA ARG 18 HA ARG 18 8.628 5.879 1.851 136 HB2 ARG 18 HB2 ARG 18 8.250 4.743 -0.982 137 HB3 ARG 18 HB3 ARG 18 6.914 5.362 -0.075 138 HG2 ARG 18 HG2 ARG 18 7.486 7.290 -1.143 139 HG3 ARG 18 HG3 ARG 18 8.395 7.537 0.296 140 HD2 ARG 18 HD2 ARG 18 9.693 6.193 -2.098 141 HD3 ARG 18 HD3 ARG 18 9.411 7.931 -2.124 142 HE ARG 18 HE ARG 18 10.564 7.512 0.335 143 HH11 ARG 18 2HH2 ARG 18 11.667 7.361 -3.078 144 HH12 ARG 18 1HH2 ARG 18 13.277 7.777 -2.677 145 HH21 ARG 18 2HH1 ARG 18 12.700 8.056 0.811 146 HH22 ARG 18 1HH1 ARG 18 13.887 8.175 -0.456 147 H VAL 19 HN VAL 19 6.313 5.111 2.084 148 HA VAL 19 HA VAL 19 6.303 2.211 2.503 149 HB VAL 19 HB VAL 19 6.767 3.442 4.525 150 HG11 VAL 19 1HG1 VAL 19 5.157 5.379 4.181 151 HG12 VAL 19 2HG1 VAL 19 3.830 4.286 4.595 152 HG13 VAL 19 3HG1 VAL 19 5.100 4.624 5.786 153 HG21 VAL 19 3HG2 VAL 19 4.172 1.807 4.475 154 HG22 VAL 19 1HG2 VAL 19 5.818 1.151 4.527 155 HG23 VAL 19 2HG2 VAL 19 5.198 2.067 5.910 156 H TYR 20 HN TYR 20 5.487 1.959 0.539 157 HA TYR 20 HA TYR 20 2.912 3.149 -0.266 158 HB2 TYR 20 HB2 TYR 20 3.021 1.870 -2.179 159 HB3 TYR 20 HB3 TYR 20 4.687 2.386 -1.997 160 HD1 TYR 20 HD1 TYR 20 6.254 0.665 -0.929 161 HD2 TYR 20 HD2 TYR 20 2.421 -0.345 -2.349 162 HE1 TYR 20 HE1 TYR 20 6.854 -1.843 -0.803 163 HE2 TYR 20 HE2 TYR 20 2.892 -2.774 -2.091 164 HH TYR 20 HH TYR 20 6.072 -4.087 -1.537 165 H TYR 21 HN TYR 21 1.069 1.458 -0.543 166 HA TYR 21 HA TYR 21 1.232 -0.522 1.698 167 HB2 TYR 21 HB2 TYR 21 -1.163 0.870 0.503 168 HB3 TYR 21 HB3 TYR 21 -1.181 -0.358 1.763 169 HD1 TYR 21 HD1 TYR 21 1.608 1.679 2.756 170 HD2 TYR 21 HD2 TYR 21 -2.680 1.627 2.538 171 HE1 TYR 21 HE1 TYR 21 1.554 3.420 4.375 172 HE2 TYR 21 HE2 TYR 21 -2.757 3.380 4.327 173 HH TYR 21 HH TYR 21 0.250 4.640 5.832 174 H PHE 22 HN PHE 22 0.466 -2.575 1.249 175 HA PHE 22 HA PHE 22 0.254 -3.394 -1.592 176 HB2 PHE 22 HB2 PHE 22 2.187 -4.462 -0.927 177 HB3 PHE 22 HB3 PHE 22 1.794 -4.374 0.768 178 HD1 PHE 22 HD2 PHE 22 0.873 -6.238 -2.367 179 HD2 PHE 22 HD1 PHE 22 1.103 -6.280 1.936 180 HE1 PHE 22 HE2 PHE 22 0.245 -8.642 -2.329 181 HE2 PHE 22 HE1 PHE 22 0.418 -8.649 1.973 182 HZ PHE 22 HZ PHE 22 -0.038 -9.838 -0.189 183 H ASN 23 HN ASN 23 -1.857 -3.914 -2.022 184 HA ASN 23 HA ASN 23 -3.858 -4.550 0.001 185 HB2 ASN 23 HB2 ASN 23 -4.339 -3.752 -2.289 186 HB3 ASN 23 HB3 ASN 23 -3.884 -5.368 -2.900 187 HD21 ASN 23 1HD2 ASN 23 -6.571 -3.670 -2.659 188 HD22 ASN 23 2HD2 ASN 23 -7.679 -4.898 -2.043 189 H HIS 24 HN HIS 24 -4.277 -6.440 0.714 190 HA HIS 24 HA HIS 24 -2.282 -8.522 0.110 191 HB2 HIS 24 HB2 HIS 24 -2.671 -9.297 2.377 192 HB3 HIS 24 HB3 HIS 24 -2.319 -7.580 2.355 193 HD1 HIS 24 HD1 HIS 24 -3.655 -6.279 4.065 194 HD2 HIS 24 HD2 HIS 24 -5.617 -9.714 2.630 195 HE1 HIS 24 HE1 HIS 24 -5.935 -6.380 5.203 196 H ILE 25 HN ILE 25 -5.489 -7.963 -0.503 197 HA ILE 25 HA ILE 25 -6.347 -10.782 -0.659 198 HB ILE 25 HB ILE 25 -7.820 -8.193 -1.241 199 HG12 ILE 25 2HG1 ILE 25 -8.314 -9.666 1.371 200 HG13 ILE 25 3HG1 ILE 25 -6.918 -8.654 1.251 201 HG21 ILE 25 1HG2 ILE 25 -8.855 -11.003 -0.711 202 HG22 ILE 25 2HG2 ILE 25 -9.865 -9.552 -0.902 203 HG23 ILE 25 3HG2 ILE 25 -8.892 -10.135 -2.259 204 HD11 ILE 25 3HD1 ILE 25 -9.656 -7.633 0.682 205 HD12 ILE 25 1HD1 ILE 25 -8.687 -7.418 2.167 206 HD13 ILE 25 2HD1 ILE 25 -8.113 -6.736 0.624 207 H THR 26 HN THR 26 -5.884 -7.824 -2.664 208 HA THR 26 HA THR 26 -6.268 -9.428 -5.060 209 HB THR 26 HB THR 26 -6.590 -7.371 -6.190 210 HG1 THR 26 HG1 THR 26 -5.613 -5.698 -5.678 211 HG21 THR 26 1HG2 THR 26 -8.417 -6.370 -4.912 212 HG22 THR 26 2HG2 THR 26 -8.417 -8.119 -4.580 213 HG23 THR 26 3HG2 THR 26 -7.772 -6.984 -3.389 214 H ASN 27 HN ASN 27 -3.730 -8.270 -3.310 215 HA ASN 27 HA ASN 27 -1.488 -7.960 -3.512 216 HB2 ASN 27 HB2 ASN 27 -1.318 -10.233 -3.771 217 HB3 ASN 27 HB3 ASN 27 -1.794 -10.194 -5.458 218 HD21 ASN 27 1HD2 ASN 27 -0.232 -8.717 -6.869 219 HD22 ASN 27 2HD2 ASN 27 1.475 -8.972 -6.597 220 H ALA 28 HN ALA 28 -1.526 -5.841 -3.969 221 HA ALA 28 HA ALA 28 -0.468 -5.085 -6.570 222 HB1 ALA 28 HB1 ALA 28 -2.905 -4.848 -6.957 223 HB2 ALA 28 HB2 ALA 28 -3.077 -3.910 -5.462 224 HB3 ALA 28 HB3 ALA 28 -2.156 -3.251 -6.831 225 H SER 29 HN SER 29 1.082 -3.421 -6.149 226 HA SER 29 HA SER 29 1.149 -2.168 -3.492 227 HB2 SER 29 HB2 SER 29 3.073 -0.848 -4.629 228 HB3 SER 29 HB3 SER 29 3.335 -2.527 -4.253 229 HG SER 29 HG SER 29 4.096 -2.057 -6.238 230 H GLN 30 HN GLN 30 1.355 0.373 -3.598 231 HA GLN 30 HA GLN 30 0.087 1.663 -5.800 232 HB2 GLN 30 HB2 GLN 30 -1.677 1.051 -3.481 233 HB3 GLN 30 HB3 GLN 30 -1.670 2.724 -3.844 234 HG2 GLN 30 HG2 GLN 30 -1.926 1.900 -6.377 235 HG3 GLN 30 HG3 GLN 30 -2.649 0.512 -5.579 236 HE21 GLN 30 1HE2 GLN 30 -4.911 0.792 -5.501 237 HE22 GLN 30 2HE2 GLN 30 -5.712 2.322 -5.187 238 H TRP 31 HN TRP 31 -0.604 3.900 -3.928 239 HA TRP 31 HA TRP 31 2.036 4.721 -2.869 240 HB2 TRP 31 HB2 TRP 31 1.930 5.677 -5.044 241 HB3 TRP 31 HB3 TRP 31 0.234 6.136 -4.869 242 HD1 TRP 31 HD1 TRP 31 -0.368 8.221 -3.652 243 HE1 TRP 31 HE1 TRP 31 0.938 10.222 -2.572 244 HE3 TRP 31 HE3 TRP 31 4.372 6.253 -3.766 245 HZ2 TRP 31 HZ2 TRP 31 3.588 10.592 -1.458 246 HZ3 TRP 31 HZ3 TRP 31 6.174 7.347 -2.640 247 HH2 TRP 31 HH2 TRP 31 5.843 9.536 -1.449 248 H GLU 32 HN GLU 32 -1.526 5.394 -3.062 249 HA GLU 32 HA GLU 32 -1.470 7.155 -0.778 250 HB2 GLU 32 HB2 GLU 32 -3.052 7.033 -2.951 251 HB3 GLU 32 HB3 GLU 32 -4.058 6.147 -1.824 252 HG2 GLU 32 HG2 GLU 32 -3.522 8.144 -0.166 253 HG3 GLU 32 HG3 GLU 32 -3.059 8.988 -1.630 254 H ARG 33 HN ARG 33 -3.794 6.559 0.465 255 HA ARG 33 HA ARG 33 -3.251 4.159 2.099 256 HB2 ARG 33 HB2 ARG 33 -3.828 5.867 4.057 257 HB3 ARG 33 HB3 ARG 33 -2.191 5.652 3.452 258 HG2 ARG 33 HG2 ARG 33 -2.192 7.649 2.203 259 HG3 ARG 33 HG3 ARG 33 -3.933 7.881 2.394 260 HD2 ARG 33 HD2 ARG 33 -1.984 7.835 4.739 261 HD3 ARG 33 HD3 ARG 33 -2.366 9.312 3.861 262 HE ARG 33 HE ARG 33 -3.968 8.027 5.856 263 HH11 ARG 33 2HH2 ARG 33 -4.144 10.155 3.003 264 HH12 ARG 33 1HH2 ARG 33 -5.812 10.509 3.177 265 HH21 ARG 33 2HH1 ARG 33 -6.108 8.711 6.292 266 HH22 ARG 33 1HH1 ARG 33 -6.822 9.946 5.351 267 HA PRO 34 HA PRO 34 -7.666 3.935 1.247 268 HB2 PRO 34 HB2 PRO 34 -8.179 1.713 2.955 269 HB3 PRO 34 HB3 PRO 34 -7.874 1.782 1.215 270 HG2 PRO 34 HG2 PRO 34 -6.104 0.773 3.268 271 HG3 PRO 34 HG3 PRO 34 -5.932 0.705 1.514 272 HD2 PRO 34 HD2 PRO 34 -4.559 2.461 3.321 273 HD3 PRO 34 HD3 PRO 34 -4.430 2.373 1.581 274 H SER 35 HN SER 35 -9.737 4.164 2.323 275 HA SER 35 HA SER 35 -9.968 4.085 5.202 276 HB2 SER 35 HB2 SER 35 -10.198 6.704 3.689 277 HB3 SER 35 HB3 SER 35 -11.249 6.383 5.061 278 HG SER 35 HG SER 35 -9.738 6.525 6.401 279 H GLY 36 HN GLY 36 -10.998 2.152 3.718 280 HA2 GLY 36 HA1 GLY 36 -13.034 1.090 3.611 281 HA3 GLY 36 HA2 GLY 36 -13.808 2.557 4.202 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -8.769 11.570 -5.008 2 H2 GLY 1 H2 GLY 1 -8.773 12.973 -4.149 3 H3 GLY 1 H3 GLY 1 -7.892 11.682 -3.618 4 HA2 GLY 1 HA1 GLY 1 -9.829 11.868 -2.293 5 HA3 GLY 1 HA2 GLY 1 -10.808 11.927 -3.761 6 H SER 2 HN SER 2 -9.122 9.698 -5.105 7 HA SER 2 HA SER 2 -10.849 7.725 -4.884 8 HB2 SER 2 HB2 SER 2 -7.861 7.381 -5.293 9 HB3 SER 2 HB3 SER 2 -9.150 6.319 -5.902 10 HG SER 2 HG SER 2 -8.157 8.284 -7.174 11 H LYS 3 HN LYS 3 -7.884 7.874 -2.804 12 HA LYS 3 HA LYS 3 -7.177 6.549 -1.126 13 HB2 LYS 3 HB2 LYS 3 -10.115 5.972 -0.549 14 HB3 LYS 3 HB3 LYS 3 -8.771 5.569 0.494 15 HG2 LYS 3 HG2 LYS 3 -8.174 8.034 0.611 16 HG3 LYS 3 HG3 LYS 3 -9.661 8.354 -0.296 17 HD2 LYS 3 HD2 LYS 3 -10.837 6.919 1.560 18 HD3 LYS 3 HD3 LYS 3 -9.337 7.153 2.468 19 HE2 LYS 3 HE2 LYS 3 -10.998 8.784 3.130 20 HE3 LYS 3 HE3 LYS 3 -9.661 9.624 2.331 21 HZ1 LYS 3 HZ1 LYS 3 -12.020 10.253 1.670 22 HZ2 LYS 3 HZ2 LYS 3 -11.000 9.953 0.433 23 HZ3 LYS 3 HZ3 LYS 3 -12.101 8.826 0.859 24 H LEU 4 HN LEU 4 -8.288 3.993 -0.323 25 HA LEU 4 HA LEU 4 -8.562 2.356 -2.624 26 HB2 LEU 4 HB2 LEU 4 -6.504 1.120 -0.891 27 HB3 LEU 4 HB3 LEU 4 -6.717 1.091 -2.620 28 HG LEU 4 HG LEU 4 -5.593 3.391 -2.726 29 HD11 LEU 4 1HD1 LEU 4 -3.955 3.654 -0.715 30 HD12 LEU 4 2HD1 LEU 4 -5.646 4.095 -0.401 31 HD13 LEU 4 3HD1 LEU 4 -5.007 2.504 0.081 32 HD21 LEU 4 3HD2 LEU 4 -3.359 2.550 -2.509 33 HD22 LEU 4 1HD2 LEU 4 -3.900 1.150 -1.548 34 HD23 LEU 4 2HD2 LEU 4 -4.357 1.306 -3.265 35 HA PRO 5 HA PRO 5 -11.209 0.415 0.396 36 HB2 PRO 5 HB2 PRO 5 -11.026 -2.292 -0.019 37 HB3 PRO 5 HB3 PRO 5 -11.657 -1.187 -1.281 38 HG2 PRO 5 HG2 PRO 5 -8.954 -2.459 -1.053 39 HG3 PRO 5 HG3 PRO 5 -9.937 -2.175 -2.519 40 HD2 PRO 5 HD2 PRO 5 -7.847 -0.528 -1.552 41 HD3 PRO 5 HD3 PRO 5 -9.052 -0.012 -2.747 42 HA PRO 6 HA PRO 6 -8.746 -1.278 3.839 43 HB2 PRO 6 HB2 PRO 6 -10.451 -2.990 5.181 44 HB3 PRO 6 HB3 PRO 6 -10.629 -1.206 5.242 45 HG2 PRO 6 HG2 PRO 6 -12.079 -3.161 3.419 46 HG3 PRO 6 HG3 PRO 6 -12.784 -1.868 4.434 47 HD2 PRO 6 HD2 PRO 6 -12.269 -1.509 1.779 48 HD3 PRO 6 HD3 PRO 6 -12.049 -0.182 2.957 49 H GLY 7 HN GLY 7 -7.870 -3.535 4.559 50 HA2 GLY 7 HA1 GLY 7 -7.426 -5.930 3.951 51 HA3 GLY 7 HA2 GLY 7 -8.024 -5.558 2.356 52 H TRP 8 HN TRP 8 -5.825 -3.493 4.260 53 HA TRP 8 HA TRP 8 -3.624 -3.905 2.340 54 HB2 TRP 8 HB2 TRP 8 -5.132 -1.367 3.101 55 HB3 TRP 8 HB3 TRP 8 -3.490 -1.340 2.481 56 HD1 TRP 8 HD1 TRP 8 -7.025 -2.496 1.288 57 HE1 TRP 8 HE1 TRP 8 -7.130 -2.224 -1.216 58 HE3 TRP 8 HE3 TRP 8 -2.224 -1.095 0.420 59 HZ2 TRP 8 HZ2 TRP 8 -5.381 -1.515 -3.366 60 HZ3 TRP 8 HZ3 TRP 8 -1.405 -0.828 -1.959 61 HH2 TRP 8 HH2 TRP 8 -2.983 -1.088 -3.848 62 H GLU 9 HN GLU 9 -1.622 -3.073 3.249 63 HA GLU 9 HA GLU 9 -1.458 -2.362 6.065 64 HB2 GLU 9 HB2 GLU 9 -0.120 -4.740 4.679 65 HB3 GLU 9 HB3 GLU 9 0.582 -3.966 6.102 66 HG2 GLU 9 HG2 GLU 9 -1.306 -4.543 7.483 67 HG3 GLU 9 HG3 GLU 9 -2.250 -5.086 6.092 68 H LYS 10 HN LYS 10 0.936 -1.532 6.267 69 HA LYS 10 HA LYS 10 1.737 -0.154 3.725 70 HB2 LYS 10 HB2 LYS 10 2.988 0.096 6.458 71 HB3 LYS 10 HB3 LYS 10 3.187 1.148 5.044 72 HG2 LYS 10 HG2 LYS 10 0.763 0.832 6.824 73 HG3 LYS 10 HG3 LYS 10 1.800 2.277 6.582 74 HD2 LYS 10 HD2 LYS 10 0.730 2.941 4.869 75 HD3 LYS 10 HD3 LYS 10 0.349 1.339 4.204 76 HE2 LYS 10 HE2 LYS 10 -1.647 2.507 4.700 77 HE3 LYS 10 HE3 LYS 10 -1.499 1.109 5.771 78 HZ1 LYS 10 HZ1 LYS 10 -0.675 3.839 6.562 79 HZ2 LYS 10 HZ2 LYS 10 -2.214 3.287 6.766 80 HZ3 LYS 10 HZ3 LYS 10 -0.956 2.574 7.564 81 H ARG 11 HN ARG 11 3.913 -0.569 2.959 82 HA ARG 11 HA ARG 11 5.436 -2.670 4.294 83 HB2 ARG 11 HB2 ARG 11 4.304 -2.858 1.493 84 HB3 ARG 11 HB3 ARG 11 5.983 -3.349 1.712 85 HG2 ARG 11 HG2 ARG 11 5.239 -4.800 3.663 86 HG3 ARG 11 HG3 ARG 11 3.566 -4.490 3.166 87 HD2 ARG 11 HD2 ARG 11 3.949 -5.568 1.028 88 HD3 ARG 11 HD3 ARG 11 5.688 -5.631 1.311 89 HE ARG 11 HE ARG 11 3.628 -7.198 2.817 90 HH11 ARG 11 2HH2 ARG 11 6.963 -7.136 1.419 91 HH12 ARG 11 1HH2 ARG 11 7.429 -8.532 2.329 92 HH21 ARG 11 2HH1 ARG 11 4.239 -9.068 3.746 93 HH22 ARG 11 1HH1 ARG 11 5.817 -9.777 3.476 94 H MET 12 HN MET 12 7.666 -2.565 2.676 95 HA MET 12 HA MET 12 7.985 0.199 1.853 96 HB2 MET 12 HB2 MET 12 10.152 -1.326 3.373 97 HB3 MET 12 HB3 MET 12 10.419 0.101 2.377 98 HG2 MET 12 HG2 MET 12 10.337 1.043 4.436 99 HG3 MET 12 HG3 MET 12 8.687 1.290 3.876 100 HE1 MET 12 HE1 MET 12 9.637 1.694 6.813 101 HE2 MET 12 HE2 MET 12 7.924 1.858 6.370 102 HE3 MET 12 HE3 MET 12 8.385 0.864 7.770 103 H SER 13 HN SER 13 9.469 0.294 0.084 104 HA SER 13 HA SER 13 10.320 -2.312 -1.054 105 HB2 SER 13 HB2 SER 13 8.594 -1.326 -2.550 106 HB3 SER 13 HB3 SER 13 9.570 0.160 -2.679 107 HG SER 13 HG SER 13 9.929 -1.351 -4.399 108 H ARG 14 HN ARG 14 12.454 -2.113 -1.998 109 HA ARG 14 HA ARG 14 14.095 -0.125 -0.508 110 HB2 ARG 14 HB2 ARG 14 14.935 -2.588 -2.069 111 HB3 ARG 14 HB3 ARG 14 15.996 -1.545 -1.125 112 HG2 ARG 14 HG2 ARG 14 15.015 -2.202 0.950 113 HG3 ARG 14 HG3 ARG 14 13.575 -2.864 0.184 114 HD2 ARG 14 HD2 ARG 14 15.009 -4.628 -0.894 115 HD3 ARG 14 HD3 ARG 14 16.323 -4.095 0.168 116 HE ARG 14 HE ARG 14 14.031 -4.470 1.766 117 HH11 ARG 14 2HH2 ARG 14 16.125 -6.612 -0.191 118 HH12 ARG 14 1HH2 ARG 14 15.544 -8.035 0.624 119 HH21 ARG 14 2HH1 ARG 14 13.463 -6.221 2.845 120 HH22 ARG 14 1HH1 ARG 14 14.114 -7.821 2.520 121 H SER 15 HN SER 15 12.804 -0.780 -3.721 122 HA SER 15 HA SER 15 14.135 1.006 -5.255 123 HB2 SER 15 HB2 SER 15 11.138 0.537 -5.018 124 HB3 SER 15 HB3 SER 15 11.973 1.231 -6.415 125 HG SER 15 HG SER 15 13.113 -0.697 -6.650 126 H SER 16 HN SER 16 14.532 3.057 -4.925 127 HA SER 16 HA SER 16 15.112 4.756 -3.709 128 HB2 SER 16 HB2 SER 16 13.856 6.636 -4.034 129 HB3 SER 16 HB3 SER 16 13.467 5.564 -5.376 130 HG SER 16 HG SER 16 11.920 6.423 -3.190 131 H GLY 17 HN GLY 17 12.995 2.821 -1.934 132 HA2 GLY 17 HA1 GLY 17 12.981 2.515 0.372 133 HA3 GLY 17 HA2 GLY 17 13.725 4.116 0.618 134 H ARG 18 HN ARG 18 10.830 2.882 -1.094 135 HA ARG 18 HA ARG 18 9.237 5.138 0.051 136 HB2 ARG 18 HB2 ARG 18 8.504 3.063 -2.046 137 HB3 ARG 18 HB3 ARG 18 7.597 4.523 -1.636 138 HG2 ARG 18 HG2 ARG 18 9.661 5.847 -2.421 139 HG3 ARG 18 HG3 ARG 18 10.271 4.303 -3.025 140 HD2 ARG 18 HD2 ARG 18 9.293 5.051 -4.951 141 HD3 ARG 18 HD3 ARG 18 7.975 4.155 -4.282 142 HE ARG 18 HE ARG 18 6.794 6.145 -4.167 143 HH11 ARG 18 2HH2 ARG 18 10.272 6.926 -4.583 144 HH12 ARG 18 1HH2 ARG 18 9.938 8.641 -4.676 145 HH21 ARG 18 2HH1 ARG 18 6.478 8.386 -4.312 146 HH22 ARG 18 1HH1 ARG 18 7.818 9.454 -4.658 147 H VAL 19 HN VAL 19 7.157 4.771 0.927 148 HA VAL 19 HA VAL 19 6.840 2.172 2.249 149 HB VAL 19 HB VAL 19 7.243 4.298 3.486 150 HG11 VAL 19 1HG1 VAL 19 4.376 5.137 2.959 151 HG12 VAL 19 2HG1 VAL 19 5.654 5.991 3.822 152 HG13 VAL 19 3HG1 VAL 19 5.752 5.812 2.064 153 HG21 VAL 19 3HG2 VAL 19 4.619 2.853 4.064 154 HG22 VAL 19 1HG2 VAL 19 6.252 2.400 4.610 155 HG23 VAL 19 2HG2 VAL 19 5.501 3.874 5.225 156 H TYR 20 HN TYR 20 6.232 1.578 -0.128 157 HA TYR 20 HA TYR 20 3.657 2.569 -1.042 158 HB2 TYR 20 HB2 TYR 20 3.737 1.079 -2.788 159 HB3 TYR 20 HB3 TYR 20 5.431 1.397 -2.521 160 HD1 TYR 20 HD1 TYR 20 6.796 -0.354 -1.346 161 HD2 TYR 20 HD2 TYR 20 2.795 -1.010 -2.463 162 HE1 TYR 20 HE1 TYR 20 7.095 -2.873 -1.025 163 HE2 TYR 20 HE2 TYR 20 2.987 -3.454 -2.103 164 HH TYR 20 HH TYR 20 4.454 -5.193 -1.429 165 H TYR 21 HN TYR 21 1.641 1.425 -0.874 166 HA TYR 21 HA TYR 21 1.463 -0.234 1.607 167 HB2 TYR 21 HB2 TYR 21 -0.739 1.002 -0.067 168 HB3 TYR 21 HB3 TYR 21 -0.908 0.159 1.473 169 HD1 TYR 21 HD1 TYR 21 2.009 2.132 2.096 170 HD2 TYR 21 HD2 TYR 21 -2.251 2.250 1.763 171 HE1 TYR 21 HE1 TYR 21 2.041 4.189 3.081 172 HE2 TYR 21 HE2 TYR 21 -2.222 4.367 3.181 173 HH TYR 21 HH TYR 21 0.821 5.874 4.167 174 H PHE 22 HN PHE 22 0.226 -2.206 1.537 175 HA PHE 22 HA PHE 22 0.296 -3.504 -1.134 176 HB2 PHE 22 HB2 PHE 22 2.344 -4.078 -0.074 177 HB3 PHE 22 HB3 PHE 22 1.600 -4.258 1.483 178 HD1 PHE 22 HD2 PHE 22 1.541 -5.708 -1.987 179 HD2 PHE 22 HD1 PHE 22 0.871 -6.415 2.229 180 HE1 PHE 22 HE2 PHE 22 1.207 -8.093 -2.436 181 HE2 PHE 22 HE1 PHE 22 0.466 -8.811 1.746 182 HZ PHE 22 HZ PHE 22 0.565 -9.650 -0.564 183 H ASN 23 HN ASN 23 -1.612 -4.231 -1.589 184 HA ASN 23 HA ASN 23 -3.828 -4.628 0.263 185 HB2 ASN 23 HB2 ASN 23 -4.045 -3.988 -2.215 186 HB3 ASN 23 HB3 ASN 23 -3.433 -5.583 -2.608 187 HD21 ASN 23 1HD2 ASN 23 -6.063 -4.210 -0.490 188 HD22 ASN 23 2HD2 ASN 23 -7.281 -5.311 -1.113 189 H HIS 24 HN HIS 24 -4.876 -6.813 0.421 190 HA HIS 24 HA HIS 24 -2.907 -9.012 0.359 191 HB2 HIS 24 HB2 HIS 24 -4.064 -9.830 2.301 192 HB3 HIS 24 HB3 HIS 24 -3.799 -8.120 2.546 193 HD1 HIS 24 HD1 HIS 24 -6.496 -6.922 1.209 194 HD2 HIS 24 HD2 HIS 24 -6.287 -10.346 3.558 195 HE1 HIS 24 HE1 HIS 24 -8.863 -7.441 2.019 196 H ILE 25 HN ILE 25 -5.316 -8.220 -1.670 197 HA ILE 25 HA ILE 25 -6.254 -11.045 -2.031 198 HB ILE 25 HB ILE 25 -7.839 -8.475 -2.016 199 HG12 ILE 25 2HG1 ILE 25 -8.212 -11.167 -0.617 200 HG13 ILE 25 3HG1 ILE 25 -7.376 -9.815 0.097 201 HG21 ILE 25 1HG2 ILE 25 -8.551 -9.689 -4.046 202 HG22 ILE 25 2HG2 ILE 25 -8.703 -11.189 -3.118 203 HG23 ILE 25 3HG2 ILE 25 -9.800 -9.831 -2.809 204 HD11 ILE 25 3HD1 ILE 25 -9.564 -9.872 1.001 205 HD12 ILE 25 1HD1 ILE 25 -9.394 -8.423 -0.003 206 HD13 ILE 25 2HD1 ILE 25 -10.307 -9.837 -0.598 207 H THR 26 HN THR 26 -5.800 -7.900 -3.641 208 HA THR 26 HA THR 26 -5.223 -9.326 -6.145 209 HB THR 26 HB THR 26 -5.646 -7.358 -7.215 210 HG1 THR 26 HG1 THR 26 -5.079 -5.514 -6.591 211 HG21 THR 26 1HG2 THR 26 -7.697 -8.147 -5.845 212 HG22 THR 26 2HG2 THR 26 -7.329 -6.861 -4.700 213 HG23 THR 26 3HG2 THR 26 -7.743 -6.460 -6.378 214 H ASN 27 HN ASN 27 -3.728 -8.330 -3.396 215 HA ASN 27 HA ASN 27 -1.638 -7.839 -2.670 216 HB2 ASN 27 HB2 ASN 27 -1.157 -10.035 -4.671 217 HB3 ASN 27 HB3 ASN 27 0.046 -9.498 -3.489 218 HD21 ASN 27 1HD2 ASN 27 -0.877 -12.205 -3.479 219 HD22 ASN 27 2HD2 ASN 27 -1.890 -12.397 -2.048 220 H ALA 28 HN ALA 28 -2.574 -5.976 -4.550 221 HA ALA 28 HA ALA 28 -0.527 -5.155 -6.386 222 HB1 ALA 28 HB1 ALA 28 -1.904 -3.099 -6.531 223 HB2 ALA 28 HB2 ALA 28 -2.915 -4.548 -6.634 224 HB3 ALA 28 HB3 ALA 28 -2.845 -3.618 -5.117 225 H SER 29 HN SER 29 0.415 -2.894 -6.199 226 HA SER 29 HA SER 29 1.290 -2.179 -3.475 227 HB2 SER 29 HB2 SER 29 3.462 -1.440 -4.706 228 HB3 SER 29 HB3 SER 29 3.225 -3.138 -4.364 229 HG SER 29 HG SER 29 3.920 -2.977 -6.429 230 H GLN 30 HN GLN 30 1.551 0.188 -3.196 231 HA GLN 30 HA GLN 30 0.609 2.005 -5.266 232 HB2 GLN 30 HB2 GLN 30 -1.383 0.503 -3.771 233 HB3 GLN 30 HB3 GLN 30 -1.511 2.132 -3.302 234 HG2 GLN 30 HG2 GLN 30 -1.315 1.699 -6.247 235 HG3 GLN 30 HG3 GLN 30 -2.724 0.992 -5.467 236 HE21 GLN 30 1HE2 GLN 30 -4.558 2.413 -5.628 237 HE22 GLN 30 2HE2 GLN 30 -4.382 4.140 -5.496 238 H TRP 31 HN TRP 31 -0.433 4.023 -4.198 239 HA TRP 31 HA TRP 31 1.498 5.075 -2.206 240 HB2 TRP 31 HB2 TRP 31 0.369 6.407 -4.678 241 HB3 TRP 31 HB3 TRP 31 1.737 6.890 -3.720 242 HD1 TRP 31 HD1 TRP 31 0.773 5.223 -6.805 243 HE1 TRP 31 HE1 TRP 31 2.602 3.776 -7.861 244 HE3 TRP 31 HE3 TRP 31 4.114 5.000 -2.864 245 HZ2 TRP 31 HZ2 TRP 31 5.132 2.679 -7.139 246 HZ3 TRP 31 HZ3 TRP 31 6.105 3.625 -3.058 247 HH2 TRP 31 HH2 TRP 31 6.677 2.486 -5.209 248 H GLU 32 HN GLU 32 -1.771 4.866 -3.085 249 HA GLU 32 HA GLU 32 -2.776 7.388 -1.892 250 HB2 GLU 32 HB2 GLU 32 -3.905 5.059 -3.319 251 HB3 GLU 32 HB3 GLU 32 -4.946 5.616 -2.026 252 HG2 GLU 32 HG2 GLU 32 -3.820 7.547 -4.071 253 HG3 GLU 32 HG3 GLU 32 -5.306 6.629 -4.332 254 H ARG 33 HN ARG 33 -4.729 6.904 -0.115 255 HA ARG 33 HA ARG 33 -3.535 5.137 1.965 256 HB2 ARG 33 HB2 ARG 33 -4.906 7.741 2.683 257 HB3 ARG 33 HB3 ARG 33 -4.169 6.574 3.767 258 HG2 ARG 33 HG2 ARG 33 -2.504 8.129 3.701 259 HG3 ARG 33 HG3 ARG 33 -1.957 7.079 2.379 260 HD2 ARG 33 HD2 ARG 33 -3.056 8.633 0.752 261 HD3 ARG 33 HD3 ARG 33 -3.636 9.611 2.113 262 HE ARG 33 HE ARG 33 -0.756 9.270 2.112 263 HH11 ARG 33 2HH2 ARG 33 -3.378 11.088 0.575 264 HH12 ARG 33 1HH2 ARG 33 -2.437 12.538 0.361 265 HH21 ARG 33 2HH1 ARG 33 0.513 11.066 1.688 266 HH22 ARG 33 1HH1 ARG 33 -0.119 12.420 0.758 267 HA PRO 34 HA PRO 34 -7.542 3.546 1.301 268 HB2 PRO 34 HB2 PRO 34 -7.455 1.276 2.971 269 HB3 PRO 34 HB3 PRO 34 -7.071 1.422 1.236 270 HG2 PRO 34 HG2 PRO 34 -5.249 1.009 3.400 271 HG3 PRO 34 HG3 PRO 34 -4.965 0.990 1.641 272 HD2 PRO 34 HD2 PRO 34 -4.258 3.080 3.520 273 HD3 PRO 34 HD3 PRO 34 -4.002 3.081 1.785 274 H SER 35 HN SER 35 -9.544 3.587 2.068 275 HA SER 35 HA SER 35 -10.408 3.071 4.652 276 HB2 SER 35 HB2 SER 35 -10.734 6.007 3.855 277 HB3 SER 35 HB3 SER 35 -11.496 5.203 5.231 278 HG SER 35 HG SER 35 -8.721 5.059 5.089 279 H GLY 36 HN GLY 36 -12.217 1.955 3.927 280 HA2 GLY 36 HA1 GLY 36 -13.725 2.985 1.549 281 HA3 GLY 36 HA2 GLY 36 -13.757 1.317 2.154 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -15.922 5.949 -2.481 2 H2 GLY 1 H2 GLY 1 -14.515 6.156 -1.645 3 H3 GLY 1 H3 GLY 1 -15.027 7.323 -2.691 4 HA2 GLY 1 HA1 GLY 1 -14.854 5.715 -4.522 5 HA3 GLY 1 HA2 GLY 1 -13.322 6.181 -3.777 6 H SER 2 HN SER 2 -12.791 4.084 -4.904 7 HA SER 2 HA SER 2 -12.304 2.338 -2.578 8 HB2 SER 2 HB2 SER 2 -12.422 1.245 -5.421 9 HB3 SER 2 HB3 SER 2 -12.066 0.358 -3.932 10 HG SER 2 HG SER 2 -14.104 -0.066 -4.132 11 H LYS 3 HN LYS 3 -11.050 4.743 -3.352 12 HA LYS 3 HA LYS 3 -9.010 4.571 -5.330 13 HB2 LYS 3 HB2 LYS 3 -9.110 6.321 -2.836 14 HB3 LYS 3 HB3 LYS 3 -7.942 6.488 -4.135 15 HG2 LYS 3 HG2 LYS 3 -9.324 7.847 -5.225 16 HG3 LYS 3 HG3 LYS 3 -10.436 6.513 -5.454 17 HD2 LYS 3 HD2 LYS 3 -11.683 8.279 -4.513 18 HD3 LYS 3 HD3 LYS 3 -11.476 7.119 -3.194 19 HE2 LYS 3 HE2 LYS 3 -9.651 8.505 -2.250 20 HE3 LYS 3 HE3 LYS 3 -9.742 9.593 -3.644 21 HZ1 LYS 3 HZ1 LYS 3 -12.023 10.107 -2.973 22 HZ2 LYS 3 HZ2 LYS 3 -11.821 9.255 -1.563 23 HZ3 LYS 3 HZ3 LYS 3 -10.882 10.582 -1.903 24 H LEU 4 HN LEU 4 -8.969 3.661 -1.876 25 HA LEU 4 HA LEU 4 -7.013 1.740 -2.676 26 HB2 LEU 4 HB2 LEU 4 -6.326 3.801 -0.637 27 HB3 LEU 4 HB3 LEU 4 -5.933 2.118 -0.290 28 HG LEU 4 HG LEU 4 -4.920 3.558 -2.755 29 HD11 LEU 4 1HD1 LEU 4 -2.836 3.785 -1.690 30 HD12 LEU 4 2HD1 LEU 4 -3.997 4.204 -0.408 31 HD13 LEU 4 3HD1 LEU 4 -3.226 2.617 -0.433 32 HD21 LEU 4 3HD2 LEU 4 -4.360 0.872 -1.447 33 HD22 LEU 4 1HD2 LEU 4 -5.017 1.134 -3.074 34 HD23 LEU 4 2HD2 LEU 4 -3.352 1.557 -2.725 35 HA PRO 5 HA PRO 5 -10.562 -0.089 -0.596 36 HB2 PRO 5 HB2 PRO 5 -9.725 -2.784 -0.962 37 HB3 PRO 5 HB3 PRO 5 -10.664 -1.783 -2.100 38 HG2 PRO 5 HG2 PRO 5 -7.851 -2.642 -2.220 39 HG3 PRO 5 HG3 PRO 5 -8.891 -1.998 -3.512 40 HD2 PRO 5 HD2 PRO 5 -6.856 -0.551 -2.108 41 HD3 PRO 5 HD3 PRO 5 -8.010 0.054 -3.257 42 HA PRO 6 HA PRO 6 -9.072 -1.773 3.374 43 HB2 PRO 6 HB2 PRO 6 -10.535 -4.076 3.876 44 HB3 PRO 6 HB3 PRO 6 -11.209 -2.444 4.078 45 HG2 PRO 6 HG2 PRO 6 -11.490 -4.310 1.714 46 HG3 PRO 6 HG3 PRO 6 -12.766 -3.341 2.509 47 HD2 PRO 6 HD2 PRO 6 -11.525 -2.576 0.207 48 HD3 PRO 6 HD3 PRO 6 -12.068 -1.384 1.395 49 H GLY 7 HN GLY 7 -7.814 -3.654 4.220 50 HA2 GLY 7 HA1 GLY 7 -7.010 -5.944 3.829 51 HA3 GLY 7 HA2 GLY 7 -6.903 -5.586 2.140 52 H TRP 8 HN TRP 8 -5.724 -2.825 3.614 53 HA TRP 8 HA TRP 8 -3.162 -3.628 2.354 54 HB2 TRP 8 HB2 TRP 8 -4.486 -1.034 3.063 55 HB3 TRP 8 HB3 TRP 8 -2.867 -1.139 2.378 56 HD1 TRP 8 HD1 TRP 8 -6.407 -2.566 1.377 57 HE1 TRP 8 HE1 TRP 8 -6.642 -2.436 -1.060 58 HE3 TRP 8 HE3 TRP 8 -1.777 -0.926 0.306 59 HZ2 TRP 8 HZ2 TRP 8 -4.971 -1.701 -3.343 60 HZ3 TRP 8 HZ3 TRP 8 -1.007 -0.637 -2.046 61 HH2 TRP 8 HH2 TRP 8 -2.610 -1.095 -3.927 62 H GLU 9 HN GLU 9 -1.461 -3.946 3.492 63 HA GLU 9 HA GLU 9 -1.435 -3.538 6.414 64 HB2 GLU 9 HB2 GLU 9 -0.911 -5.738 4.921 65 HB3 GLU 9 HB3 GLU 9 0.665 -4.982 4.737 66 HG2 GLU 9 HG2 GLU 9 0.674 -4.915 7.372 67 HG3 GLU 9 HG3 GLU 9 -0.686 -6.041 7.235 68 H LYS 10 HN LYS 10 -0.899 -1.626 4.347 69 HA LYS 10 HA LYS 10 0.641 -0.024 3.477 70 HB2 LYS 10 HB2 LYS 10 2.255 -0.216 6.023 71 HB3 LYS 10 HB3 LYS 10 2.274 1.078 4.839 72 HG2 LYS 10 HG2 LYS 10 -0.065 0.370 6.609 73 HG3 LYS 10 HG3 LYS 10 1.101 1.689 6.898 74 HD2 LYS 10 HD2 LYS 10 0.169 3.055 5.379 75 HD3 LYS 10 HD3 LYS 10 -0.387 1.731 4.326 76 HE2 LYS 10 HE2 LYS 10 -2.264 2.892 5.211 77 HE3 LYS 10 HE3 LYS 10 -2.214 1.226 5.798 78 HZ1 LYS 10 HZ1 LYS 10 -1.302 2.100 7.907 79 HZ2 LYS 10 HZ2 LYS 10 -1.454 3.650 7.319 80 HZ3 LYS 10 HZ3 LYS 10 -2.774 2.745 7.556 81 H ARG 11 HN ARG 11 3.533 -0.089 3.713 82 HA ARG 11 HA ARG 11 4.520 -2.602 4.032 83 HB2 ARG 11 HB2 ARG 11 3.534 -2.553 1.378 84 HB3 ARG 11 HB3 ARG 11 5.199 -2.062 1.173 85 HG2 ARG 11 HG2 ARG 11 5.719 -4.046 2.822 86 HG3 ARG 11 HG3 ARG 11 4.102 -4.607 2.431 87 HD2 ARG 11 HD2 ARG 11 4.695 -4.920 0.096 88 HD3 ARG 11 HD3 ARG 11 6.219 -4.048 0.307 89 HE ARG 11 HE ARG 11 5.667 -6.793 0.974 90 HH11 ARG 11 2HH2 ARG 11 8.014 -4.097 1.450 91 HH12 ARG 11 1HH2 ARG 11 8.951 -4.930 2.614 92 HH21 ARG 11 2HH1 ARG 11 7.048 -7.955 2.370 93 HH22 ARG 11 1HH1 ARG 11 8.358 -7.171 3.205 94 H MET 12 HN MET 12 6.949 -2.412 2.791 95 HA MET 12 HA MET 12 7.812 0.389 2.749 96 HB2 MET 12 HB2 MET 12 8.962 -1.859 4.408 97 HB3 MET 12 HB3 MET 12 10.073 -0.742 3.639 98 HG2 MET 12 HG2 MET 12 9.608 0.931 5.056 99 HG3 MET 12 HG3 MET 12 7.873 0.711 4.939 100 HE1 MET 12 HE1 MET 12 6.930 -1.867 6.092 101 HE2 MET 12 HE2 MET 12 6.830 -1.470 7.822 102 HE3 MET 12 HE3 MET 12 6.382 -0.254 6.608 103 H SER 13 HN SER 13 9.543 0.688 1.267 104 HA SER 13 HA SER 13 10.298 -1.513 -0.551 105 HB2 SER 13 HB2 SER 13 8.284 -0.596 -1.495 106 HB3 SER 13 HB3 SER 13 8.879 1.059 -1.357 107 HG SER 13 HG SER 13 9.051 0.315 -3.447 108 H ARG 14 HN ARG 14 11.900 -0.455 -2.198 109 HA ARG 14 HA ARG 14 14.166 -0.225 -2.141 110 HB2 ARG 14 HB2 ARG 14 14.848 2.103 -2.487 111 HB3 ARG 14 HB3 ARG 14 13.548 1.541 -3.515 112 HG2 ARG 14 HG2 ARG 14 12.119 3.101 -2.817 113 HG3 ARG 14 HG3 ARG 14 12.491 2.881 -1.109 114 HD2 ARG 14 HD2 ARG 14 14.353 4.394 -2.965 115 HD3 ARG 14 HD3 ARG 14 13.010 5.159 -2.118 116 HE ARG 14 HE ARG 14 14.769 3.581 -0.396 117 HH11 ARG 14 2HH2 ARG 14 14.278 6.764 -1.909 118 HH12 ARG 14 1HH2 ARG 14 15.095 7.662 -0.681 119 HH21 ARG 14 2HH1 ARG 14 15.752 4.821 1.390 120 HH22 ARG 14 1HH1 ARG 14 15.746 6.546 1.278 121 H SER 15 HN SER 15 14.161 -1.310 -0.100 122 HA SER 15 HA SER 15 14.895 -1.743 1.955 123 HB2 SER 15 HB2 SER 15 17.050 0.257 1.371 124 HB3 SER 15 HB3 SER 15 17.100 -1.191 2.415 125 HG SER 15 HG SER 15 18.002 -1.904 0.574 126 H SER 16 HN SER 16 13.236 -0.987 2.967 127 HA SER 16 HA SER 16 11.771 0.343 4.152 128 HB2 SER 16 HB2 SER 16 13.853 -0.678 5.600 129 HB3 SER 16 HB3 SER 16 13.897 1.016 6.092 130 HG SER 16 HG SER 16 11.803 -0.903 6.256 131 H GLY 17 HN GLY 17 12.578 1.856 2.012 132 HA2 GLY 17 HA1 GLY 17 13.119 4.605 2.970 133 HA3 GLY 17 HA2 GLY 17 13.171 4.012 1.312 134 H ARG 18 HN ARG 18 11.131 3.439 0.280 135 HA ARG 18 HA ARG 18 9.089 5.479 0.920 136 HB2 ARG 18 HB2 ARG 18 8.924 3.213 -1.143 137 HB3 ARG 18 HB3 ARG 18 7.873 4.592 -1.044 138 HG2 ARG 18 HG2 ARG 18 9.711 6.112 -1.670 139 HG3 ARG 18 HG3 ARG 18 10.848 4.763 -1.659 140 HD2 ARG 18 HD2 ARG 18 9.377 3.615 -3.400 141 HD3 ARG 18 HD3 ARG 18 8.464 5.109 -3.507 142 HE ARG 18 HE ARG 18 11.261 4.640 -4.406 143 HH11 ARG 18 2HH2 ARG 18 8.581 7.001 -4.114 144 HH12 ARG 18 1HH2 ARG 18 9.095 7.843 -5.557 145 HH21 ARG 18 2HH1 ARG 18 12.047 5.925 -5.937 146 HH22 ARG 18 1HH1 ARG 18 11.226 7.358 -6.510 147 H VAL 19 HN VAL 19 6.961 5.081 1.250 148 HA VAL 19 HA VAL 19 6.310 2.467 2.490 149 HB VAL 19 HB VAL 19 6.593 4.481 3.972 150 HG11 VAL 19 1HG1 VAL 19 4.905 6.110 4.267 151 HG12 VAL 19 2HG1 VAL 19 5.409 6.176 2.572 152 HG13 VAL 19 3HG1 VAL 19 3.866 5.420 3.028 153 HG21 VAL 19 3HG2 VAL 19 5.522 2.585 4.880 154 HG22 VAL 19 1HG2 VAL 19 4.416 3.928 5.248 155 HG23 VAL 19 2HG2 VAL 19 4.053 2.817 3.911 156 H TYR 20 HN TYR 20 6.274 2.323 -0.061 157 HA TYR 20 HA TYR 20 3.641 2.999 -1.144 158 HB2 TYR 20 HB2 TYR 20 4.164 1.923 -3.023 159 HB3 TYR 20 HB3 TYR 20 5.806 2.203 -2.481 160 HD1 TYR 20 HD1 TYR 20 6.061 0.030 -0.463 161 HD2 TYR 20 HD2 TYR 20 4.457 -0.012 -4.421 162 HE1 TYR 20 HE1 TYR 20 6.659 -2.343 -0.652 163 HE2 TYR 20 HE2 TYR 20 4.832 -2.479 -4.512 164 HH TYR 20 HH TYR 20 5.729 -4.310 -3.505 165 H TYR 21 HN TYR 21 1.842 1.581 -0.940 166 HA TYR 21 HA TYR 21 2.019 -0.170 1.460 167 HB2 TYR 21 HB2 TYR 21 -0.384 0.864 -0.057 168 HB3 TYR 21 HB3 TYR 21 -0.401 -0.040 1.470 169 HD1 TYR 21 HD1 TYR 21 2.214 1.839 2.457 170 HD2 TYR 21 HD2 TYR 21 -1.848 2.364 1.142 171 HE1 TYR 21 HE1 TYR 21 2.086 3.911 3.630 172 HE2 TYR 21 HE2 TYR 21 -1.947 4.505 2.474 173 HH TYR 21 HH TYR 21 0.796 5.711 4.344 174 H PHE 22 HN PHE 22 0.789 -2.315 1.354 175 HA PHE 22 HA PHE 22 0.353 -3.300 -1.361 176 HB2 PHE 22 HB2 PHE 22 2.546 -4.063 -1.007 177 HB3 PHE 22 HB3 PHE 22 2.264 -4.428 0.687 178 HD1 PHE 22 HD2 PHE 22 0.771 -6.413 1.325 179 HD2 PHE 22 HD1 PHE 22 2.215 -5.740 -2.686 180 HE1 PHE 22 HE2 PHE 22 0.218 -8.754 0.724 181 HE2 PHE 22 HE1 PHE 22 1.735 -8.098 -3.247 182 HZ PHE 22 HZ PHE 22 0.706 -9.608 -1.545 183 H ASN 23 HN ASN 23 -1.196 -4.878 -1.429 184 HA ASN 23 HA ASN 23 -3.028 -5.280 0.875 185 HB2 ASN 23 HB2 ASN 23 -3.777 -3.961 -1.150 186 HB3 ASN 23 HB3 ASN 23 -3.600 -5.407 -2.125 187 HD21 ASN 23 1HD2 ASN 23 -6.061 -4.863 -2.498 188 HD22 ASN 23 2HD2 ASN 23 -7.158 -5.372 -1.204 189 H HIS 24 HN HIS 24 -3.874 -7.316 1.064 190 HA HIS 24 HA HIS 24 -2.543 -9.521 -0.395 191 HB2 HIS 24 HB2 HIS 24 -3.974 -10.968 1.096 192 HB3 HIS 24 HB3 HIS 24 -2.649 -10.095 1.858 193 HD1 HIS 24 HD1 HIS 24 -3.485 -7.844 3.359 194 HD2 HIS 24 HD2 HIS 24 -6.466 -10.470 1.976 195 HE1 HIS 24 HE1 HIS 24 -5.695 -7.205 4.424 196 H ILE 25 HN ILE 25 -5.886 -8.145 0.097 197 HA ILE 25 HA ILE 25 -7.148 -10.197 -1.345 198 HB ILE 25 HB ILE 25 -8.130 -7.335 -1.079 199 HG12 ILE 25 2HG1 ILE 25 -9.610 -8.782 0.757 200 HG13 ILE 25 3HG1 ILE 25 -8.106 -9.669 0.830 201 HG21 ILE 25 1HG2 ILE 25 -10.382 -8.334 -1.359 202 HG22 ILE 25 2HG2 ILE 25 -9.376 -8.497 -2.788 203 HG23 ILE 25 3HG2 ILE 25 -9.619 -9.896 -1.723 204 HD11 ILE 25 3HD1 ILE 25 -8.503 -6.655 1.079 205 HD12 ILE 25 1HD1 ILE 25 -8.396 -7.775 2.445 206 HD13 ILE 25 2HD1 ILE 25 -6.993 -7.556 1.389 207 H THR 26 HN THR 26 -5.766 -7.174 -2.648 208 HA THR 26 HA THR 26 -6.428 -8.187 -5.368 209 HB THR 26 HB THR 26 -6.298 -5.931 -6.111 210 HG1 THR 26 HG1 THR 26 -5.662 -4.325 -4.996 211 HG21 THR 26 1HG2 THR 26 -8.219 -4.967 -4.898 212 HG22 THR 26 2HG2 THR 26 -8.468 -6.692 -5.187 213 HG23 THR 26 3HG2 THR 26 -8.016 -6.117 -3.574 214 H ASN 27 HN ASN 27 -3.963 -8.622 -3.401 215 HA ASN 27 HA ASN 27 -1.733 -8.686 -3.411 216 HB2 ASN 27 HB2 ASN 27 -0.815 -10.002 -5.098 217 HB3 ASN 27 HB3 ASN 27 -2.480 -10.510 -4.901 218 HD21 ASN 27 1HD2 ASN 27 -0.274 -8.613 -7.001 219 HD22 ASN 27 2HD2 ASN 27 -1.233 -8.883 -8.461 220 H ALA 28 HN ALA 28 -2.883 -6.027 -4.389 221 HA ALA 28 HA ALA 28 -0.944 -4.998 -6.304 222 HB1 ALA 28 HB1 ALA 28 -3.326 -3.688 -4.900 223 HB2 ALA 28 HB2 ALA 28 -2.474 -3.057 -6.322 224 HB3 ALA 28 HB3 ALA 28 -3.415 -4.553 -6.452 225 H SER 29 HN SER 29 -0.251 -2.618 -5.876 226 HA SER 29 HA SER 29 0.238 -1.993 -3.092 227 HB2 SER 29 HB2 SER 29 2.589 -1.192 -4.022 228 HB3 SER 29 HB3 SER 29 2.406 -2.799 -3.355 229 HG SER 29 HG SER 29 2.633 -3.662 -5.247 230 H GLN 30 HN GLN 30 1.101 0.467 -2.995 231 HA GLN 30 HA GLN 30 0.693 2.191 -5.130 232 HB2 GLN 30 HB2 GLN 30 -1.880 1.188 -4.327 233 HB3 GLN 30 HB3 GLN 30 -1.811 2.816 -3.751 234 HG2 GLN 30 HG2 GLN 30 -1.014 3.506 -6.092 235 HG3 GLN 30 HG3 GLN 30 -1.431 1.865 -6.611 236 HE21 GLN 30 1HE2 GLN 30 -2.637 4.962 -6.587 237 HE22 GLN 30 2HE2 GLN 30 -4.348 4.572 -6.425 238 H TRP 31 HN TRP 31 -0.479 4.412 -4.068 239 HA TRP 31 HA TRP 31 1.577 5.207 -2.072 240 HB2 TRP 31 HB2 TRP 31 0.486 6.612 -4.521 241 HB3 TRP 31 HB3 TRP 31 1.856 7.097 -3.551 242 HD1 TRP 31 HD1 TRP 31 0.843 5.025 -6.475 243 HE1 TRP 31 HE1 TRP 31 2.695 3.573 -7.381 244 HE3 TRP 31 HE3 TRP 31 4.253 5.657 -2.662 245 HZ2 TRP 31 HZ2 TRP 31 5.500 3.002 -6.681 246 HZ3 TRP 31 HZ3 TRP 31 6.421 4.708 -2.820 247 HH2 TRP 31 HH2 TRP 31 7.140 3.387 -4.858 248 H GLU 32 HN GLU 32 -1.766 5.343 -2.810 249 HA GLU 32 HA GLU 32 -2.494 7.907 -1.516 250 HB2 GLU 32 HB2 GLU 32 -3.662 6.514 -3.506 251 HB3 GLU 32 HB3 GLU 32 -4.511 5.794 -2.149 252 HG2 GLU 32 HG2 GLU 32 -5.832 7.613 -2.962 253 HG3 GLU 32 HG3 GLU 32 -5.168 8.134 -1.412 254 H ARG 33 HN ARG 33 -4.682 7.096 -0.129 255 HA ARG 33 HA ARG 33 -3.575 5.637 2.274 256 HB2 ARG 33 HB2 ARG 33 -5.186 8.153 2.126 257 HB3 ARG 33 HB3 ARG 33 -5.195 7.157 3.578 258 HG2 ARG 33 HG2 ARG 33 -3.058 7.662 4.166 259 HG3 ARG 33 HG3 ARG 33 -2.451 7.648 2.506 260 HD2 ARG 33 HD2 ARG 33 -3.423 9.806 2.047 261 HD3 ARG 33 HD3 ARG 33 -4.129 9.896 3.657 262 HE ARG 33 HE ARG 33 -1.417 10.487 2.859 263 HH11 ARG 33 2HH2 ARG 33 -3.393 9.516 5.670 264 HH12 ARG 33 1HH2 ARG 33 -2.227 9.997 6.836 265 HH21 ARG 33 2HH1 ARG 33 0.077 11.128 4.299 266 HH22 ARG 33 1HH1 ARG 33 -0.145 10.986 6.034 267 HA PRO 34 HA PRO 34 -7.223 3.065 1.315 268 HB2 PRO 34 HB2 PRO 34 -6.267 1.081 3.236 269 HB3 PRO 34 HB3 PRO 34 -6.445 0.961 1.475 270 HG2 PRO 34 HG2 PRO 34 -3.994 1.095 2.773 271 HG3 PRO 34 HG3 PRO 34 -4.302 1.398 1.061 272 HD2 PRO 34 HD2 PRO 34 -3.858 3.303 3.288 273 HD3 PRO 34 HD3 PRO 34 -3.527 3.514 1.558 274 H SER 35 HN SER 35 -9.078 2.719 2.337 275 HA SER 35 HA SER 35 -9.406 4.026 5.005 276 HB2 SER 35 HB2 SER 35 -10.047 5.298 2.869 277 HB3 SER 35 HB3 SER 35 -11.346 4.133 2.654 278 HG SER 35 HG SER 35 -12.181 4.810 4.688 279 H GLY 36 HN GLY 36 -11.550 2.117 2.740 280 HA2 GLY 36 HA1 GLY 36 -11.508 -0.349 3.853 281 HA3 GLY 36 HA2 GLY 36 -12.655 0.572 4.853 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -9.940 12.257 -2.678 2 H2 GLY 1 H2 GLY 1 -10.736 11.185 -1.694 3 H3 GLY 1 H3 GLY 1 -9.100 11.238 -1.687 4 HA2 GLY 1 HA1 GLY 1 -10.750 10.391 -3.954 5 HA3 GLY 1 HA2 GLY 1 -8.975 10.473 -3.933 6 H SER 2 HN SER 2 -11.763 9.016 -2.137 7 HA SER 2 HA SER 2 -10.277 6.954 -0.869 8 HB2 SER 2 HB2 SER 2 -13.178 6.881 -1.752 9 HB3 SER 2 HB3 SER 2 -12.428 6.115 -0.342 10 HG SER 2 HG SER 2 -13.684 8.056 0.034 11 H LYS 3 HN LYS 3 -9.056 5.558 -2.116 12 HA LYS 3 HA LYS 3 -10.245 4.386 -4.585 13 HB2 LYS 3 HB2 LYS 3 -7.482 5.641 -4.347 14 HB3 LYS 3 HB3 LYS 3 -7.988 4.634 -5.671 15 HG2 LYS 3 HG2 LYS 3 -9.342 7.280 -4.981 16 HG3 LYS 3 HG3 LYS 3 -8.021 7.086 -6.123 17 HD2 LYS 3 HD2 LYS 3 -9.558 5.308 -7.269 18 HD3 LYS 3 HD3 LYS 3 -10.862 6.060 -6.328 19 HE2 LYS 3 HE2 LYS 3 -10.278 8.271 -7.323 20 HE3 LYS 3 HE3 LYS 3 -8.932 7.514 -8.203 21 HZ1 LYS 3 HZ1 LYS 3 -10.613 6.109 -9.303 22 HZ2 LYS 3 HZ2 LYS 3 -11.797 6.974 -8.574 23 HZ3 LYS 3 HZ3 LYS 3 -10.801 7.715 -9.649 24 H LEU 4 HN LEU 4 -7.352 4.221 -2.340 25 HA LEU 4 HA LEU 4 -7.217 1.352 -2.778 26 HB2 LEU 4 HB2 LEU 4 -6.082 3.002 -0.507 27 HB3 LEU 4 HB3 LEU 4 -5.980 1.241 -0.652 28 HG LEU 4 HG LEU 4 -4.676 1.534 -2.764 29 HD11 LEU 4 1HD1 LEU 4 -4.711 4.428 -1.808 30 HD12 LEU 4 2HD1 LEU 4 -3.552 3.766 -2.988 31 HD13 LEU 4 3HD1 LEU 4 -5.257 3.807 -3.385 32 HD21 LEU 4 3HD2 LEU 4 -3.656 1.200 -0.412 33 HD22 LEU 4 1HD2 LEU 4 -2.595 1.937 -1.610 34 HD23 LEU 4 2HD2 LEU 4 -3.369 2.947 -0.403 35 HA PRO 5 HA PRO 5 -10.756 0.606 0.093 36 HB2 PRO 5 HB2 PRO 5 -10.761 -2.097 -0.034 37 HB3 PRO 5 HB3 PRO 5 -11.279 -1.071 -1.422 38 HG2 PRO 5 HG2 PRO 5 -8.634 -2.462 -0.966 39 HG3 PRO 5 HG3 PRO 5 -9.612 -2.440 -2.461 40 HD2 PRO 5 HD2 PRO 5 -7.499 -0.677 -1.991 41 HD3 PRO 5 HD3 PRO 5 -8.892 -0.273 -3.018 42 HA PRO 6 HA PRO 6 -8.399 -1.007 3.691 43 HB2 PRO 6 HB2 PRO 6 -10.232 -2.547 5.075 44 HB3 PRO 6 HB3 PRO 6 -10.185 -0.761 5.122 45 HG2 PRO 6 HG2 PRO 6 -11.981 -2.532 3.491 46 HG3 PRO 6 HG3 PRO 6 -12.395 -1.034 4.384 47 HD2 PRO 6 HD2 PRO 6 -11.928 -1.133 1.661 48 HD3 PRO 6 HD3 PRO 6 -11.616 0.313 2.655 49 H GLY 7 HN GLY 7 -7.782 -3.294 4.569 50 HA2 GLY 7 HA1 GLY 7 -7.418 -5.589 4.201 51 HA3 GLY 7 HA2 GLY 7 -8.029 -5.508 2.574 52 H TRP 8 HN TRP 8 -5.629 -3.492 4.350 53 HA TRP 8 HA TRP 8 -3.493 -4.031 2.342 54 HB2 TRP 8 HB2 TRP 8 -4.833 -1.427 3.156 55 HB3 TRP 8 HB3 TRP 8 -3.197 -1.484 2.534 56 HD1 TRP 8 HD1 TRP 8 -6.766 -2.616 1.246 57 HE1 TRP 8 HE1 TRP 8 -6.866 -2.178 -1.156 58 HE3 TRP 8 HE3 TRP 8 -1.938 -1.126 0.500 59 HZ2 TRP 8 HZ2 TRP 8 -5.114 -1.289 -3.294 60 HZ3 TRP 8 HZ3 TRP 8 -1.161 -0.528 -1.805 61 HH2 TRP 8 HH2 TRP 8 -2.741 -0.646 -3.709 62 H GLU 9 HN GLU 9 -1.439 -3.539 3.095 63 HA GLU 9 HA GLU 9 -1.055 -2.915 5.966 64 HB2 GLU 9 HB2 GLU 9 0.469 -4.941 4.251 65 HB3 GLU 9 HB3 GLU 9 0.940 -4.393 5.856 66 HG2 GLU 9 HG2 GLU 9 -0.127 -6.262 6.503 67 HG3 GLU 9 HG3 GLU 9 -1.510 -5.186 6.536 68 H LYS 10 HN LYS 10 1.185 -1.981 6.279 69 HA LYS 10 HA LYS 10 1.863 -0.173 3.973 70 HB2 LYS 10 HB2 LYS 10 2.596 0.232 6.874 71 HB3 LYS 10 HB3 LYS 10 2.695 1.371 5.535 72 HG2 LYS 10 HG2 LYS 10 0.239 0.427 7.017 73 HG3 LYS 10 HG3 LYS 10 0.876 2.067 6.794 74 HD2 LYS 10 HD2 LYS 10 -0.470 2.434 5.150 75 HD3 LYS 10 HD3 LYS 10 0.242 1.093 4.255 76 HE2 LYS 10 HE2 LYS 10 -2.002 0.758 4.114 77 HE3 LYS 10 HE3 LYS 10 -1.402 -0.443 5.260 78 HZ1 LYS 10 HZ1 LYS 10 -2.906 2.042 5.884 79 HZ2 LYS 10 HZ2 LYS 10 -3.425 0.533 6.107 80 HZ3 LYS 10 HZ3 LYS 10 -2.217 1.136 7.048 81 H ARG 11 HN ARG 11 3.171 -1.441 2.789 82 HA ARG 11 HA ARG 11 5.279 -3.187 3.918 83 HB2 ARG 11 HB2 ARG 11 4.088 -2.645 1.216 84 HB3 ARG 11 HB3 ARG 11 5.775 -3.091 1.257 85 HG2 ARG 11 HG2 ARG 11 3.618 -4.789 2.564 86 HG3 ARG 11 HG3 ARG 11 4.240 -4.970 0.929 87 HD2 ARG 11 HD2 ARG 11 5.587 -6.485 1.874 88 HD3 ARG 11 HD3 ARG 11 6.610 -5.069 2.090 89 HE ARG 11 HE ARG 11 4.716 -5.822 4.261 90 HH11 ARG 11 2HH2 ARG 11 8.164 -5.980 3.140 91 HH12 ARG 11 1HH2 ARG 11 8.687 -6.584 4.665 92 HH21 ARG 11 2HH1 ARG 11 5.564 -6.462 6.280 93 HH22 ARG 11 1HH1 ARG 11 7.272 -6.751 6.432 94 H MET 12 HN MET 12 7.540 -2.735 2.776 95 HA MET 12 HA MET 12 7.826 0.094 2.061 96 HB2 MET 12 HB2 MET 12 9.751 -1.457 3.823 97 HB3 MET 12 HB3 MET 12 10.306 -0.167 2.741 98 HG2 MET 12 HG2 MET 12 8.585 1.358 3.729 99 HG3 MET 12 HG3 MET 12 8.275 0.131 4.955 100 HE1 MET 12 HE1 MET 12 9.919 -0.364 6.999 101 HE2 MET 12 HE2 MET 12 11.043 -1.020 5.791 102 HE3 MET 12 HE3 MET 12 11.624 0.139 7.004 103 H SER 13 HN SER 13 9.408 0.394 0.441 104 HA SER 13 HA SER 13 9.952 -2.002 -1.262 105 HB2 SER 13 HB2 SER 13 8.372 -0.323 -2.232 106 HB3 SER 13 HB3 SER 13 9.592 0.942 -1.999 107 HG SER 13 HG SER 13 9.360 -0.215 -4.106 108 H ARG 14 HN ARG 14 12.148 -1.848 -2.312 109 HA ARG 14 HA ARG 14 14.097 -0.324 -0.631 110 HB2 ARG 14 HB2 ARG 14 14.421 -2.475 -2.738 111 HB3 ARG 14 HB3 ARG 14 15.708 -1.308 -2.458 112 HG2 ARG 14 HG2 ARG 14 16.248 -3.136 -1.082 113 HG3 ARG 14 HG3 ARG 14 15.655 -1.867 -0.011 114 HD2 ARG 14 HD2 ARG 14 13.385 -3.080 -0.052 115 HD3 ARG 14 HD3 ARG 14 14.211 -4.383 -0.920 116 HE ARG 14 HE ARG 14 15.410 -3.507 1.637 117 HH11 ARG 14 2HH2 ARG 14 13.349 -5.928 0.031 118 HH12 ARG 14 1HH2 ARG 14 13.417 -7.053 1.338 119 HH21 ARG 14 2HH1 ARG 14 15.303 -4.931 3.496 120 HH22 ARG 14 1HH1 ARG 14 14.488 -6.441 3.337 121 H SER 15 HN SER 15 12.336 -0.103 -3.727 122 HA SER 15 HA SER 15 13.766 1.880 -4.898 123 HB2 SER 15 HB2 SER 15 10.798 1.365 -5.014 124 HB3 SER 15 HB3 SER 15 11.736 2.347 -6.156 125 HG SER 15 HG SER 15 11.458 -0.337 -6.041 126 H SER 16 HN SER 16 14.335 3.842 -4.053 127 HA SER 16 HA SER 16 14.696 5.422 -2.721 128 HB2 SER 16 HB2 SER 16 11.744 5.891 -2.466 129 HB3 SER 16 HB3 SER 16 13.109 7.017 -2.386 130 HG SER 16 HG SER 16 12.677 5.618 -4.783 131 H GLY 17 HN GLY 17 12.445 3.094 -1.285 132 HA2 GLY 17 HA1 GLY 17 12.681 2.333 0.994 133 HA3 GLY 17 HA2 GLY 17 13.289 3.935 1.447 134 H ARG 18 HN ARG 18 10.630 3.853 -0.756 135 HA ARG 18 HA ARG 18 8.903 5.297 1.065 136 HB2 ARG 18 HB2 ARG 18 8.313 3.643 -1.398 137 HB3 ARG 18 HB3 ARG 18 7.137 4.699 -0.677 138 HG2 ARG 18 HG2 ARG 18 9.740 5.886 -1.711 139 HG3 ARG 18 HG3 ARG 18 8.451 5.464 -2.825 140 HD2 ARG 18 HD2 ARG 18 8.148 7.741 -2.378 141 HD3 ARG 18 HD3 ARG 18 6.871 6.910 -1.488 142 HE ARG 18 HE ARG 18 9.109 7.275 0.246 143 HH11 ARG 18 2HH2 ARG 18 6.704 9.324 -1.452 144 HH12 ARG 18 1HH2 ARG 18 6.711 10.521 -0.198 145 HH21 ARG 18 2HH1 ARG 18 9.116 8.906 1.806 146 HH22 ARG 18 1HH1 ARG 18 8.123 10.337 1.612 147 H VAL 19 HN VAL 19 7.081 4.750 1.904 148 HA VAL 19 HA VAL 19 6.552 1.920 2.520 149 HB VAL 19 HB VAL 19 6.934 3.781 4.279 150 HG11 VAL 19 1HG1 VAL 19 5.080 5.323 3.439 151 HG12 VAL 19 2HG1 VAL 19 3.947 4.151 4.139 152 HG13 VAL 19 3HG1 VAL 19 5.114 4.963 5.182 153 HG21 VAL 19 3HG2 VAL 19 6.354 1.531 4.922 154 HG22 VAL 19 1HG2 VAL 19 5.369 2.632 5.885 155 HG23 VAL 19 2HG2 VAL 19 4.652 1.786 4.492 156 H TYR 20 HN TYR 20 6.122 1.939 0.116 157 HA TYR 20 HA TYR 20 3.505 2.948 -0.693 158 HB2 TYR 20 HB2 TYR 20 3.597 1.689 -2.614 159 HB3 TYR 20 HB3 TYR 20 5.197 2.346 -2.410 160 HD1 TYR 20 HD1 TYR 20 5.907 0.019 -0.308 161 HD2 TYR 20 HD2 TYR 20 4.355 0.102 -4.293 162 HE1 TYR 20 HE1 TYR 20 6.642 -2.313 -0.631 163 HE2 TYR 20 HE2 TYR 20 4.998 -2.282 -4.574 164 HH TYR 20 HH TYR 20 6.787 -4.085 -2.044 165 H TYR 21 HN TYR 21 1.565 1.890 -0.415 166 HA TYR 21 HA TYR 21 1.553 -0.072 1.796 167 HB2 TYR 21 HB2 TYR 21 -0.745 1.155 0.239 168 HB3 TYR 21 HB3 TYR 21 -0.843 0.204 1.729 169 HD1 TYR 21 HD1 TYR 21 1.929 2.194 2.519 170 HD2 TYR 21 HD2 TYR 21 -2.304 2.306 2.020 171 HE1 TYR 21 HE1 TYR 21 1.864 4.215 3.736 172 HE2 TYR 21 HE2 TYR 21 -2.382 4.368 3.526 173 HH TYR 21 HH TYR 21 0.526 6.258 4.076 174 H PHE 22 HN PHE 22 0.408 -2.168 1.440 175 HA PHE 22 HA PHE 22 0.158 -2.967 -1.349 176 HB2 PHE 22 HB2 PHE 22 2.258 -3.792 -1.214 177 HB3 PHE 22 HB3 PHE 22 2.237 -3.931 0.520 178 HD1 PHE 22 HD2 PHE 22 1.019 -5.881 1.649 179 HD2 PHE 22 HD1 PHE 22 1.767 -5.732 -2.604 180 HE1 PHE 22 HE2 PHE 22 0.607 -8.316 1.490 181 HE2 PHE 22 HE1 PHE 22 1.388 -8.176 -2.743 182 HZ PHE 22 HZ PHE 22 0.818 -9.470 -0.708 183 H ASN 23 HN ASN 23 -1.545 -4.204 -1.641 184 HA ASN 23 HA ASN 23 -3.336 -4.841 0.594 185 HB2 ASN 23 HB2 ASN 23 -5.012 -4.654 -0.747 186 HB3 ASN 23 HB3 ASN 23 -3.869 -3.819 -1.821 187 HD21 ASN 23 1HD2 ASN 23 -5.736 -4.195 -3.402 188 HD22 ASN 23 2HD2 ASN 23 -5.608 -5.712 -4.248 189 H HIS 24 HN HIS 24 -4.309 -6.884 0.748 190 HA HIS 24 HA HIS 24 -2.617 -8.974 -0.421 191 HB2 HIS 24 HB2 HIS 24 -3.632 -10.417 1.399 192 HB3 HIS 24 HB3 HIS 24 -2.647 -9.063 1.971 193 HD1 HIS 24 HD1 HIS 24 -3.778 -7.505 3.722 194 HD2 HIS 24 HD2 HIS 24 -6.512 -9.786 1.428 195 HE1 HIS 24 HE1 HIS 24 -6.121 -7.027 4.577 196 H ILE 25 HN ILE 25 -5.765 -7.671 -0.613 197 HA ILE 25 HA ILE 25 -7.307 -9.945 -1.079 198 HB ILE 25 HB ILE 25 -7.676 -7.249 -2.414 199 HG12 ILE 25 2HG1 ILE 25 -9.299 -7.392 -0.004 200 HG13 ILE 25 3HG1 ILE 25 -7.702 -7.857 0.450 201 HG21 ILE 25 1HG2 ILE 25 -9.119 -8.963 -3.332 202 HG22 ILE 25 2HG2 ILE 25 -9.688 -9.398 -1.710 203 HG23 ILE 25 3HG2 ILE 25 -10.060 -7.797 -2.403 204 HD11 ILE 25 3HD1 ILE 25 -6.743 -5.880 -0.580 205 HD12 ILE 25 1HD1 ILE 25 -8.333 -5.376 -1.202 206 HD13 ILE 25 2HD1 ILE 25 -8.025 -5.402 0.536 207 H THR 26 HN THR 26 -5.620 -7.855 -3.477 208 HA THR 26 HA THR 26 -5.982 -9.998 -5.462 209 HB THR 26 HB THR 26 -5.805 -8.230 -7.154 210 HG1 THR 26 HG1 THR 26 -5.160 -6.394 -6.660 211 HG21 THR 26 1HG2 THR 26 -8.069 -8.834 -6.183 212 HG22 THR 26 2HG2 THR 26 -7.909 -7.460 -5.075 213 HG23 THR 26 3HG2 THR 26 -7.965 -7.184 -6.824 214 H ASN 27 HN ASN 27 -3.797 -8.493 -3.526 215 HA ASN 27 HA ASN 27 -1.643 -8.214 -3.174 216 HB2 ASN 27 HB2 ASN 27 -0.979 -10.052 -5.471 217 HB3 ASN 27 HB3 ASN 27 0.143 -9.374 -4.319 218 HD21 ASN 27 1HD2 ASN 27 -2.637 -11.651 -4.622 219 HD22 ASN 27 2HD2 ASN 27 -2.390 -12.380 -3.041 220 H ALA 28 HN ALA 28 -1.640 -6.071 -3.532 221 HA ALA 28 HA ALA 28 -0.911 -5.011 -6.197 222 HB1 ALA 28 HB1 ALA 28 -3.420 -4.980 -6.062 223 HB2 ALA 28 HB2 ALA 28 -3.303 -4.086 -4.528 224 HB3 ALA 28 HB3 ALA 28 -2.755 -3.334 -6.015 225 H SER 29 HN SER 29 -0.277 -2.579 -5.898 226 HA SER 29 HA SER 29 0.156 -1.804 -3.105 227 HB2 SER 29 HB2 SER 29 2.489 -0.993 -3.722 228 HB3 SER 29 HB3 SER 29 2.348 -2.701 -3.422 229 HG SER 29 HG SER 29 2.514 -3.145 -5.528 230 H GLN 30 HN GLN 30 1.038 0.582 -2.982 231 HA GLN 30 HA GLN 30 0.639 2.361 -5.126 232 HB2 GLN 30 HB2 GLN 30 -1.849 1.500 -3.900 233 HB3 GLN 30 HB3 GLN 30 -1.567 3.151 -3.422 234 HG2 GLN 30 HG2 GLN 30 -1.234 2.416 -6.338 235 HG3 GLN 30 HG3 GLN 30 -2.855 2.476 -5.646 236 HE21 GLN 30 1HE2 GLN 30 -3.269 4.225 -7.236 237 HE22 GLN 30 2HE2 GLN 30 -2.683 5.850 -6.874 238 H TRP 31 HN TRP 31 0.552 4.692 -4.292 239 HA TRP 31 HA TRP 31 2.171 4.976 -1.835 240 HB2 TRP 31 HB2 TRP 31 1.197 7.246 -3.572 241 HB3 TRP 31 HB3 TRP 31 2.641 7.147 -2.576 242 HD1 TRP 31 HD1 TRP 31 1.474 6.948 -6.042 243 HE1 TRP 31 HE1 TRP 31 3.226 5.969 -7.614 244 HE3 TRP 31 HE3 TRP 31 4.738 5.101 -2.559 245 HZ2 TRP 31 HZ2 TRP 31 5.640 4.402 -7.411 246 HZ3 TRP 31 HZ3 TRP 31 6.714 3.803 -3.285 247 HH2 TRP 31 HH2 TRP 31 7.145 3.405 -5.694 248 H GLU 32 HN GLU 32 -1.062 5.610 -3.099 249 HA GLU 32 HA GLU 32 -1.901 7.640 -1.252 250 HB2 GLU 32 HB2 GLU 32 -3.172 5.855 -3.308 251 HB3 GLU 32 HB3 GLU 32 -4.212 6.668 -2.144 252 HG2 GLU 32 HG2 GLU 32 -3.268 8.849 -2.849 253 HG3 GLU 32 HG3 GLU 32 -2.257 8.000 -4.036 254 H ARG 33 HN ARG 33 -4.178 7.092 -0.003 255 HA ARG 33 HA ARG 33 -3.366 5.018 1.903 256 HB2 ARG 33 HB2 ARG 33 -4.049 6.630 3.720 257 HB3 ARG 33 HB3 ARG 33 -2.513 6.825 2.896 258 HG2 ARG 33 HG2 ARG 33 -3.474 8.663 1.519 259 HG3 ARG 33 HG3 ARG 33 -5.002 8.526 2.429 260 HD2 ARG 33 HD2 ARG 33 -3.883 9.071 4.501 261 HD3 ARG 33 HD3 ARG 33 -2.285 8.923 3.766 262 HE ARG 33 HE ARG 33 -4.057 11.205 3.739 263 HH11 ARG 33 2HH2 ARG 33 -1.400 9.726 1.854 264 HH12 ARG 33 1HH2 ARG 33 -0.703 11.235 1.434 265 HH21 ARG 33 2HH1 ARG 33 -3.098 13.197 3.158 266 HH22 ARG 33 1HH1 ARG 33 -1.588 13.244 2.336 267 HA PRO 34 HA PRO 34 -7.356 3.738 0.963 268 HB2 PRO 34 HB2 PRO 34 -7.366 1.556 2.935 269 HB3 PRO 34 HB3 PRO 34 -7.193 1.566 1.170 270 HG2 PRO 34 HG2 PRO 34 -5.180 1.093 3.101 271 HG3 PRO 34 HG3 PRO 34 -5.019 1.150 1.340 272 HD2 PRO 34 HD2 PRO 34 -4.207 3.145 3.266 273 HD3 PRO 34 HD3 PRO 34 -4.033 3.151 1.489 274 H SER 35 HN SER 35 -9.295 2.877 1.605 275 HA SER 35 HA SER 35 -11.120 2.410 2.718 276 HB2 SER 35 HB2 SER 35 -9.509 1.422 4.329 277 HB3 SER 35 HB3 SER 35 -9.554 2.923 5.263 278 HG SER 35 HG SER 35 -11.039 1.654 6.178 279 H GLY 36 HN GLY 36 -12.060 4.132 1.713 280 HA2 GLY 36 HA1 GLY 36 -12.930 6.315 3.541 281 HA3 GLY 36 HA2 GLY 36 -12.456 6.689 1.873 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -12.576 5.903 -9.767 2 H2 GLY 1 H2 GLY 1 -12.360 7.179 -8.756 3 H3 GLY 1 H3 GLY 1 -12.880 7.432 -10.302 4 HA2 GLY 1 HA1 GLY 1 -10.822 6.572 -11.170 5 HA3 GLY 1 HA2 GLY 1 -10.607 8.024 -10.169 6 H SER 2 HN SER 2 -8.520 7.609 -9.412 7 HA SER 2 HA SER 2 -7.542 5.223 -8.283 8 HB2 SER 2 HB2 SER 2 -6.991 8.124 -7.537 9 HB3 SER 2 HB3 SER 2 -5.912 6.742 -7.274 10 HG SER 2 HG SER 2 -5.347 6.764 -9.303 11 H LYS 3 HN LYS 3 -8.121 4.185 -6.365 12 HA LYS 3 HA LYS 3 -9.054 5.660 -4.080 13 HB2 LYS 3 HB2 LYS 3 -11.075 5.199 -5.706 14 HB3 LYS 3 HB3 LYS 3 -10.902 3.515 -5.220 15 HG2 LYS 3 HG2 LYS 3 -11.230 4.244 -2.823 16 HG3 LYS 3 HG3 LYS 3 -11.480 5.905 -3.388 17 HD2 LYS 3 HD2 LYS 3 -13.131 3.479 -4.236 18 HD3 LYS 3 HD3 LYS 3 -13.628 4.621 -2.991 19 HE2 LYS 3 HE2 LYS 3 -12.979 5.564 -5.824 20 HE3 LYS 3 HE3 LYS 3 -14.547 4.880 -5.434 21 HZ1 LYS 3 HZ1 LYS 3 -14.536 7.260 -5.265 22 HZ2 LYS 3 HZ2 LYS 3 -14.906 6.575 -3.832 23 HZ3 LYS 3 HZ3 LYS 3 -13.409 7.248 -4.074 24 H LEU 4 HN LEU 4 -8.709 4.263 -2.186 25 HA LEU 4 HA LEU 4 -7.410 1.690 -2.877 26 HB2 LEU 4 HB2 LEU 4 -6.756 3.619 -0.677 27 HB3 LEU 4 HB3 LEU 4 -6.195 1.928 -0.718 28 HG LEU 4 HG LEU 4 -5.589 3.962 -2.862 29 HD11 LEU 4 1HD1 LEU 4 -3.700 3.000 -0.661 30 HD12 LEU 4 2HD1 LEU 4 -3.431 4.291 -1.835 31 HD13 LEU 4 3HD1 LEU 4 -4.651 4.496 -0.580 32 HD21 LEU 4 3HD2 LEU 4 -5.369 1.362 -3.291 33 HD22 LEU 4 1HD2 LEU 4 -4.132 2.463 -3.802 34 HD23 LEU 4 2HD2 LEU 4 -3.904 1.524 -2.305 35 HA PRO 5 HA PRO 5 -10.954 0.057 -0.614 36 HB2 PRO 5 HB2 PRO 5 -10.094 -2.618 -0.651 37 HB3 PRO 5 HB3 PRO 5 -10.899 -1.764 -1.995 38 HG2 PRO 5 HG2 PRO 5 -8.034 -2.471 -1.607 39 HG3 PRO 5 HG3 PRO 5 -8.957 -2.360 -3.127 40 HD2 PRO 5 HD2 PRO 5 -7.223 -0.365 -2.209 41 HD3 PRO 5 HD3 PRO 5 -8.534 -0.091 -3.312 42 HA PRO 6 HA PRO 6 -9.097 -1.328 3.420 43 HB2 PRO 6 HB2 PRO 6 -10.592 -3.389 4.302 44 HB3 PRO 6 HB3 PRO 6 -11.253 -1.734 4.273 45 HG2 PRO 6 HG2 PRO 6 -11.619 -3.894 2.161 46 HG3 PRO 6 HG3 PRO 6 -12.897 -2.935 2.967 47 HD2 PRO 6 HD2 PRO 6 -11.906 -2.211 0.547 48 HD3 PRO 6 HD3 PRO 6 -12.300 -0.980 1.777 49 H GLY 7 HN GLY 7 -7.977 -3.475 4.231 50 HA2 GLY 7 HA1 GLY 7 -7.297 -5.755 3.674 51 HA3 GLY 7 HA2 GLY 7 -7.553 -5.401 1.996 52 H TRP 8 HN TRP 8 -5.766 -3.043 3.958 53 HA TRP 8 HA TRP 8 -3.413 -3.629 2.210 54 HB2 TRP 8 HB2 TRP 8 -4.568 -1.119 3.425 55 HB3 TRP 8 HB3 TRP 8 -2.985 -1.199 2.671 56 HD1 TRP 8 HD1 TRP 8 -6.725 -1.859 1.630 57 HE1 TRP 8 HE1 TRP 8 -6.951 -1.287 -0.745 58 HE3 TRP 8 HE3 TRP 8 -1.807 -1.126 0.531 59 HZ2 TRP 8 HZ2 TRP 8 -5.210 -1.052 -3.063 60 HZ3 TRP 8 HZ3 TRP 8 -1.081 -0.851 -1.829 61 HH2 TRP 8 HH2 TRP 8 -2.782 -0.859 -3.668 62 H GLU 9 HN GLU 9 -1.345 -3.208 2.954 63 HA GLU 9 HA GLU 9 -0.936 -2.793 5.845 64 HB2 GLU 9 HB2 GLU 9 0.734 -4.530 3.934 65 HB3 GLU 9 HB3 GLU 9 1.149 -4.113 5.597 66 HG2 GLU 9 HG2 GLU 9 -0.926 -5.361 6.348 67 HG3 GLU 9 HG3 GLU 9 -1.093 -5.946 4.679 68 H LYS 10 HN LYS 10 0.743 -1.487 6.284 69 HA LYS 10 HA LYS 10 1.560 0.320 4.041 70 HB2 LYS 10 HB2 LYS 10 1.426 0.614 7.062 71 HB3 LYS 10 HB3 LYS 10 2.160 1.802 5.995 72 HG2 LYS 10 HG2 LYS 10 -0.360 1.975 6.817 73 HG3 LYS 10 HG3 LYS 10 0.204 2.604 5.261 74 HD2 LYS 10 HD2 LYS 10 -0.816 0.743 4.083 75 HD3 LYS 10 HD3 LYS 10 -1.389 0.035 5.614 76 HE2 LYS 10 HE2 LYS 10 -2.045 2.892 5.267 77 HE3 LYS 10 HE3 LYS 10 -2.725 1.880 4.002 78 HZ1 LYS 10 HZ1 LYS 10 -4.032 0.701 5.601 79 HZ2 LYS 10 HZ2 LYS 10 -3.108 1.182 6.857 80 HZ3 LYS 10 HZ3 LYS 10 -4.083 2.247 6.082 81 H ARG 11 HN ARG 11 3.136 -0.898 3.137 82 HA ARG 11 HA ARG 11 5.365 -1.979 4.799 83 HB2 ARG 11 HB2 ARG 11 3.869 -3.181 2.430 84 HB3 ARG 11 HB3 ARG 11 5.552 -3.606 2.751 85 HG2 ARG 11 HG2 ARG 11 5.027 -4.363 4.988 86 HG3 ARG 11 HG3 ARG 11 3.323 -3.912 4.796 87 HD2 ARG 11 HD2 ARG 11 2.968 -5.615 3.142 88 HD3 ARG 11 HD3 ARG 11 4.696 -5.921 2.962 89 HE ARG 11 HE ARG 11 2.889 -6.897 5.034 90 HH11 ARG 11 2HH2 ARG 11 6.316 -6.668 3.982 91 HH12 ARG 11 1HH2 ARG 11 6.895 -7.543 5.365 92 HH21 ARG 11 2HH1 ARG 11 3.763 -8.093 6.857 93 HH22 ARG 11 1HH1 ARG 11 5.416 -8.552 6.852 94 H MET 12 HN MET 12 7.402 -1.955 3.668 95 HA MET 12 HA MET 12 7.504 0.202 1.664 96 HB2 MET 12 HB2 MET 12 9.516 -0.783 3.679 97 HB3 MET 12 HB3 MET 12 10.025 0.103 2.227 98 HG2 MET 12 HG2 MET 12 8.287 1.880 2.897 99 HG3 MET 12 HG3 MET 12 8.238 1.081 4.468 100 HE1 MET 12 HE1 MET 12 10.365 4.250 5.304 101 HE2 MET 12 HE2 MET 12 8.973 4.183 4.202 102 HE3 MET 12 HE3 MET 12 8.954 3.259 5.727 103 H SER 13 HN SER 13 8.574 0.014 -0.163 104 HA SER 13 HA SER 13 9.028 -2.602 -1.405 105 HB2 SER 13 HB2 SER 13 8.010 -0.691 -2.616 106 HB3 SER 13 HB3 SER 13 9.439 0.298 -2.276 107 HG SER 13 HG SER 13 9.198 -1.977 -3.965 108 H ARG 14 HN ARG 14 11.130 -3.291 -2.014 109 HA ARG 14 HA ARG 14 13.258 -3.812 -1.674 110 HB2 ARG 14 HB2 ARG 14 14.906 -2.171 -2.421 111 HB3 ARG 14 HB3 ARG 14 13.529 -2.350 -3.483 112 HG2 ARG 14 HG2 ARG 14 12.563 -0.239 -2.649 113 HG3 ARG 14 HG3 ARG 14 13.939 -0.044 -1.532 114 HD2 ARG 14 HD2 ARG 14 15.476 0.273 -3.332 115 HD3 ARG 14 HD3 ARG 14 14.339 -0.370 -4.516 116 HE ARG 14 HE ARG 14 13.093 1.568 -4.537 117 HH11 ARG 14 2HH2 ARG 14 15.923 2.051 -2.376 118 HH12 ARG 14 1HH2 ARG 14 15.854 3.771 -2.537 119 HH21 ARG 14 2HH1 ARG 14 13.031 3.771 -4.653 120 HH22 ARG 14 1HH1 ARG 14 14.343 4.761 -4.089 121 H SER 15 HN SER 15 12.136 -3.784 0.704 122 HA SER 15 HA SER 15 12.536 -3.895 2.859 123 HB2 SER 15 HB2 SER 15 14.849 -4.570 2.015 124 HB3 SER 15 HB3 SER 15 15.389 -2.963 2.521 125 HG SER 15 HG SER 15 15.046 -5.162 3.966 126 H SER 16 HN SER 16 14.471 -0.982 1.968 127 HA SER 16 HA SER 16 12.524 0.764 3.340 128 HB2 SER 16 HB2 SER 16 15.516 0.643 3.774 129 HB3 SER 16 HB3 SER 16 14.466 1.941 4.353 130 HG SER 16 HG SER 16 14.912 0.133 5.858 131 H GLY 17 HN GLY 17 11.962 0.882 0.997 132 HA2 GLY 17 HA1 GLY 17 13.679 2.810 -0.523 133 HA3 GLY 17 HA2 GLY 17 12.529 1.669 -1.222 134 H ARG 18 HN ARG 18 10.194 1.938 -0.383 135 HA ARG 18 HA ARG 18 9.347 4.646 0.372 136 HB2 ARG 18 HB2 ARG 18 8.428 3.264 -2.205 137 HB3 ARG 18 HB3 ARG 18 7.660 4.656 -1.519 138 HG2 ARG 18 HG2 ARG 18 9.707 6.035 -1.945 139 HG3 ARG 18 HG3 ARG 18 10.528 4.587 -2.566 140 HD2 ARG 18 HD2 ARG 18 8.503 4.489 -4.240 141 HD3 ARG 18 HD3 ARG 18 8.350 6.214 -3.867 142 HE ARG 18 HE ARG 18 10.472 4.774 -5.295 143 HH11 ARG 18 2HH2 ARG 18 9.695 7.952 -3.801 144 HH12 ARG 18 1HH2 ARG 18 11.037 8.714 -4.588 145 HH21 ARG 18 2HH1 ARG 18 12.168 5.918 -6.355 146 HH22 ARG 18 1HH1 ARG 18 12.585 7.496 -5.742 147 H VAL 19 HN VAL 19 7.229 4.651 1.000 148 HA VAL 19 HA VAL 19 6.199 2.001 1.762 149 HB VAL 19 HB VAL 19 6.748 3.786 3.380 150 HG11 VAL 19 1HG1 VAL 19 5.711 5.752 2.323 151 HG12 VAL 19 2HG1 VAL 19 4.105 5.073 2.639 152 HG13 VAL 19 3HG1 VAL 19 5.167 5.483 3.993 153 HG21 VAL 19 3HG2 VAL 19 3.933 2.616 3.496 154 HG22 VAL 19 1HG2 VAL 19 5.436 1.803 3.987 155 HG23 VAL 19 2HG2 VAL 19 4.867 3.213 4.879 156 H TYR 20 HN TYR 20 6.050 1.915 -0.612 157 HA TYR 20 HA TYR 20 3.872 2.998 -2.121 158 HB2 TYR 20 HB2 TYR 20 4.576 1.496 -3.779 159 HB3 TYR 20 HB3 TYR 20 6.073 1.914 -2.970 160 HD1 TYR 20 HD1 TYR 20 5.901 0.118 -0.554 161 HD2 TYR 20 HD2 TYR 20 4.903 -0.698 -4.661 162 HE1 TYR 20 HE1 TYR 20 5.873 -2.317 -0.089 163 HE2 TYR 20 HE2 TYR 20 4.957 -3.129 -4.182 164 HH TYR 20 HH TYR 20 5.147 -4.776 -2.566 165 H TYR 21 HN TYR 21 2.921 1.913 0.380 166 HA TYR 21 HA TYR 21 2.261 -0.045 1.587 167 HB2 TYR 21 HB2 TYR 21 -0.003 0.800 -0.238 168 HB3 TYR 21 HB3 TYR 21 -0.167 -0.096 1.270 169 HD1 TYR 21 HD1 TYR 21 2.323 2.271 2.033 170 HD2 TYR 21 HD2 TYR 21 -1.917 1.919 1.348 171 HE1 TYR 21 HE1 TYR 21 1.980 4.505 2.814 172 HE2 TYR 21 HE2 TYR 21 -2.211 4.092 2.612 173 HH TYR 21 HH TYR 21 0.574 6.052 3.562 174 H PHE 22 HN PHE 22 0.471 -2.028 1.270 175 HA PHE 22 HA PHE 22 0.768 -3.242 -1.305 176 HB2 PHE 22 HB2 PHE 22 2.771 -4.191 -0.474 177 HB3 PHE 22 HB3 PHE 22 2.189 -4.281 1.167 178 HD1 PHE 22 HD1 PHE 22 0.515 -6.162 1.824 179 HD2 PHE 22 HD2 PHE 22 2.860 -6.138 -1.797 180 HE1 PHE 22 HE1 PHE 22 0.142 -8.585 1.557 181 HE2 PHE 22 HE2 PHE 22 2.472 -8.570 -2.055 182 HZ PHE 22 HZ PHE 22 1.044 -9.779 -0.448 183 H ASN 23 HN ASN 23 -1.321 -3.987 -1.678 184 HA ASN 23 HA ASN 23 -3.213 -4.545 0.508 185 HB2 ASN 23 HB2 ASN 23 -3.890 -3.621 -1.713 186 HB3 ASN 23 HB3 ASN 23 -3.536 -5.219 -2.401 187 HD21 ASN 23 1HD2 ASN 23 -5.828 -3.317 -0.486 188 HD22 ASN 23 2HD2 ASN 23 -7.009 -4.590 -0.319 189 H HIS 24 HN HIS 24 -3.839 -6.550 1.066 190 HA HIS 24 HA HIS 24 -1.909 -8.632 0.265 191 HB2 HIS 24 HB2 HIS 24 -2.403 -9.624 2.458 192 HB3 HIS 24 HB3 HIS 24 -1.827 -7.977 2.626 193 HD1 HIS 24 HD1 HIS 24 -3.385 -6.379 4.028 194 HD2 HIS 24 HD2 HIS 24 -5.269 -9.897 2.707 195 HE1 HIS 24 HE1 HIS 24 -5.814 -6.340 4.844 196 H ILE 25 HN ILE 25 -5.028 -7.919 -0.475 197 HA ILE 25 HA ILE 25 -5.805 -10.749 -0.889 198 HB ILE 25 HB ILE 25 -7.516 -8.278 -1.305 199 HG12 ILE 25 2HG1 ILE 25 -8.602 -9.266 0.976 200 HG13 ILE 25 3HG1 ILE 25 -6.972 -9.838 1.235 201 HG21 ILE 25 1HG2 ILE 25 -8.195 -10.350 -2.489 202 HG22 ILE 25 2HG2 ILE 25 -8.278 -11.188 -0.916 203 HG23 ILE 25 3HG2 ILE 25 -9.361 -9.828 -1.265 204 HD11 ILE 25 3HD1 ILE 25 -7.792 -6.979 0.540 205 HD12 ILE 25 1HD1 ILE 25 -7.669 -7.605 2.187 206 HD13 ILE 25 2HD1 ILE 25 -6.218 -7.493 1.190 207 H THR 26 HN THR 26 -5.490 -7.546 -2.486 208 HA THR 26 HA THR 26 -5.760 -8.762 -5.095 209 HB THR 26 HB THR 26 -6.156 -6.504 -5.836 210 HG1 THR 26 HG1 THR 26 -5.811 -4.732 -4.494 211 HG21 THR 26 1HG2 THR 26 -7.949 -7.651 -4.411 212 HG22 THR 26 2HG2 THR 26 -7.409 -6.659 -3.047 213 HG23 THR 26 3HG2 THR 26 -8.052 -5.875 -4.491 214 H ASN 27 HN ASN 27 -3.190 -8.219 -3.134 215 HA ASN 27 HA ASN 27 -0.966 -7.617 -3.305 216 HB2 ASN 27 HB2 ASN 27 -0.900 -9.913 -3.752 217 HB3 ASN 27 HB3 ASN 27 -1.327 -9.683 -5.448 218 HD21 ASN 27 1HD2 ASN 27 1.200 -7.455 -3.983 219 HD22 ASN 27 2HD2 ASN 27 2.497 -8.335 -4.704 220 H ALA 28 HN ALA 28 -1.767 -5.481 -3.826 221 HA ALA 28 HA ALA 28 -0.586 -4.406 -6.308 222 HB1 ALA 28 HB1 ALA 28 -2.423 -2.751 -6.451 223 HB2 ALA 28 HB2 ALA 28 -3.066 -4.400 -6.584 224 HB3 ALA 28 HB3 ALA 28 -3.232 -3.510 -5.060 225 H SER 29 HN SER 29 -0.124 -1.979 -5.907 226 HA SER 29 HA SER 29 0.538 -1.392 -3.047 227 HB2 SER 29 HB2 SER 29 2.724 -0.502 -4.178 228 HB3 SER 29 HB3 SER 29 2.527 -2.208 -3.805 229 HG SER 29 HG SER 29 2.303 -0.863 -6.301 230 H GLN 30 HN GLN 30 0.798 0.997 -2.625 231 HA GLN 30 HA GLN 30 0.548 2.812 -4.731 232 HB2 GLN 30 HB2 GLN 30 -2.035 1.929 -4.269 233 HB3 GLN 30 HB3 GLN 30 -1.973 3.319 -3.252 234 HG2 GLN 30 HG2 GLN 30 -0.900 4.492 -5.417 235 HG3 GLN 30 HG3 GLN 30 -1.591 3.105 -6.264 236 HE21 GLN 30 1HE2 GLN 30 -3.671 3.664 -7.133 237 HE22 GLN 30 2HE2 GLN 30 -4.796 4.673 -6.219 238 H TRP 31 HN TRP 31 -0.739 5.082 -3.574 239 HA TRP 31 HA TRP 31 1.259 5.809 -1.491 240 HB2 TRP 31 HB2 TRP 31 0.085 7.596 -3.641 241 HB3 TRP 31 HB3 TRP 31 1.455 7.911 -2.616 242 HD1 TRP 31 HD1 TRP 31 0.761 7.379 -6.015 243 HE1 TRP 31 HE1 TRP 31 2.707 6.376 -7.371 244 HE3 TRP 31 HE3 TRP 31 3.682 5.667 -2.143 245 HZ2 TRP 31 HZ2 TRP 31 5.027 4.765 -6.843 246 HZ3 TRP 31 HZ3 TRP 31 5.747 4.430 -2.621 247 HH2 TRP 31 HH2 TRP 31 6.413 3.908 -4.975 248 H GLU 32 HN GLU 32 -2.139 5.974 -2.459 249 HA GLU 32 HA GLU 32 -2.758 8.266 -0.680 250 HB2 GLU 32 HB2 GLU 32 -4.604 6.426 -2.258 251 HB3 GLU 32 HB3 GLU 32 -5.096 7.853 -1.336 252 HG2 GLU 32 HG2 GLU 32 -3.508 9.230 -2.753 253 HG3 GLU 32 HG3 GLU 32 -3.264 7.813 -3.767 254 H ARG 33 HN ARG 33 -4.922 7.664 0.802 255 HA ARG 33 HA ARG 33 -3.956 5.477 2.549 256 HB2 ARG 33 HB2 ARG 33 -5.098 6.352 4.355 257 HB3 ARG 33 HB3 ARG 33 -4.127 7.591 3.575 258 HG2 ARG 33 HG2 ARG 33 -6.370 8.384 2.488 259 HG3 ARG 33 HG3 ARG 33 -7.154 7.289 3.633 260 HD2 ARG 33 HD2 ARG 33 -7.088 9.516 4.619 261 HD3 ARG 33 HD3 ARG 33 -6.008 8.442 5.514 262 HE ARG 33 HE ARG 33 -4.797 9.990 3.328 263 HH11 ARG 33 2HH2 ARG 33 -5.562 9.978 6.821 264 HH12 ARG 33 1HH2 ARG 33 -4.270 10.990 7.283 265 HH21 ARG 33 2HH1 ARG 33 -3.096 11.483 3.915 266 HH22 ARG 33 1HH1 ARG 33 -2.999 12.058 5.542 267 HA PRO 34 HA PRO 34 -7.210 2.604 1.108 268 HB2 PRO 34 HB2 PRO 34 -5.970 1.507 3.650 269 HB3 PRO 34 HB3 PRO 34 -6.575 0.588 2.258 270 HG2 PRO 34 HG2 PRO 34 -4.001 1.027 2.341 271 HG3 PRO 34 HG3 PRO 34 -4.829 1.451 0.832 272 HD2 PRO 34 HD2 PRO 34 -4.084 3.235 3.137 273 HD3 PRO 34 HD3 PRO 34 -3.832 3.512 1.388 274 H SER 35 HN SER 35 -9.118 1.706 2.014 275 HA SER 35 HA SER 35 -10.405 3.268 4.129 276 HB2 SER 35 HB2 SER 35 -11.216 1.217 2.198 277 HB3 SER 35 HB3 SER 35 -11.783 0.825 3.826 278 HG SER 35 HG SER 35 -13.297 2.170 3.216 279 H GLY 36 HN GLY 36 -8.272 0.440 3.941 280 HA2 GLY 36 HA1 GLY 36 -7.768 0.675 6.758 281 HA3 GLY 36 HA2 GLY 36 -8.660 -0.809 6.365 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -11.320 7.261 -1.073 2 H2 GLY 1 H2 GLY 1 -9.961 7.294 -0.133 3 H3 GLY 1 H3 GLY 1 -10.943 8.612 -0.173 4 HA2 GLY 1 HA1 GLY 1 -10.426 8.944 -2.502 5 HA3 GLY 1 HA2 GLY 1 -9.023 9.052 -1.431 6 H SER 2 HN SER 2 -8.468 8.582 -4.008 7 HA SER 2 HA SER 2 -7.699 7.206 -5.608 8 HB2 SER 2 HB2 SER 2 -6.071 6.918 -3.631 9 HB3 SER 2 HB3 SER 2 -6.809 5.327 -3.399 10 HG SER 2 HG SER 2 -4.971 6.198 -5.190 11 H LYS 3 HN LYS 3 -7.575 4.213 -5.443 12 HA LYS 3 HA LYS 3 -10.497 3.533 -5.536 13 HB2 LYS 3 HB2 LYS 3 -8.886 3.293 -7.646 14 HB3 LYS 3 HB3 LYS 3 -8.364 1.825 -6.815 15 HG2 LYS 3 HG2 LYS 3 -10.940 1.299 -6.650 16 HG3 LYS 3 HG3 LYS 3 -11.122 2.593 -7.826 17 HD2 LYS 3 HD2 LYS 3 -9.558 -0.005 -8.164 18 HD3 LYS 3 HD3 LYS 3 -11.103 0.428 -8.902 19 HE2 LYS 3 HE2 LYS 3 -9.732 2.458 -9.901 20 HE3 LYS 3 HE3 LYS 3 -8.326 1.448 -9.533 21 HZ1 LYS 3 HZ1 LYS 3 -10.622 0.731 -11.255 22 HZ2 LYS 3 HZ2 LYS 3 -9.082 1.054 -11.762 23 HZ3 LYS 3 HZ3 LYS 3 -9.419 -0.308 -10.901 24 H LEU 4 HN LEU 4 -8.432 3.631 -3.241 25 HA LEU 4 HA LEU 4 -7.414 0.996 -2.857 26 HB2 LEU 4 HB2 LEU 4 -7.350 3.592 -1.341 27 HB3 LEU 4 HB3 LEU 4 -6.757 2.115 -0.599 28 HG LEU 4 HG LEU 4 -5.727 2.942 -3.303 29 HD11 LEU 4 1HD1 LEU 4 -4.456 3.505 -0.608 30 HD12 LEU 4 2HD1 LEU 4 -3.823 3.908 -2.198 31 HD13 LEU 4 3HD1 LEU 4 -5.287 4.728 -1.595 32 HD21 LEU 4 3HD2 LEU 4 -4.811 1.030 -1.090 33 HD22 LEU 4 1HD2 LEU 4 -5.248 0.679 -2.780 34 HD23 LEU 4 2HD2 LEU 4 -3.764 1.540 -2.417 35 HA PRO 5 HA PRO 5 -11.128 -0.417 -0.465 36 HB2 PRO 5 HB2 PRO 5 -9.754 -3.033 -0.575 37 HB3 PRO 5 HB3 PRO 5 -11.367 -2.605 -1.166 38 HG2 PRO 5 HG2 PRO 5 -9.272 -3.191 -2.849 39 HG3 PRO 5 HG3 PRO 5 -10.503 -1.945 -3.281 40 HD2 PRO 5 HD2 PRO 5 -7.826 -1.529 -1.954 41 HD3 PRO 5 HD3 PRO 5 -8.421 -0.730 -3.366 42 HA PRO 6 HA PRO 6 -8.818 -1.160 3.464 43 HB2 PRO 6 HB2 PRO 6 -10.339 -3.048 4.736 44 HB3 PRO 6 HB3 PRO 6 -10.833 -1.331 4.600 45 HG2 PRO 6 HG2 PRO 6 -11.688 -3.634 2.835 46 HG3 PRO 6 HG3 PRO 6 -12.726 -2.411 3.641 47 HD2 PRO 6 HD2 PRO 6 -11.955 -2.176 1.053 48 HD3 PRO 6 HD3 PRO 6 -12.099 -0.736 2.094 49 H GLY 7 HN GLY 7 -7.524 -2.947 4.415 50 HA2 GLY 7 HA1 GLY 7 -6.874 -5.176 4.453 51 HA3 GLY 7 HA2 GLY 7 -7.347 -5.431 2.776 52 H TRP 8 HN TRP 8 -5.279 -2.747 4.034 53 HA TRP 8 HA TRP 8 -3.102 -3.775 2.304 54 HB2 TRP 8 HB2 TRP 8 -4.185 -0.981 2.696 55 HB3 TRP 8 HB3 TRP 8 -2.708 -1.364 1.843 56 HD1 TRP 8 HD1 TRP 8 -6.447 -2.671 1.452 57 HE1 TRP 8 HE1 TRP 8 -7.040 -2.615 -0.880 58 HE3 TRP 8 HE3 TRP 8 -1.973 -1.219 -0.439 59 HZ2 TRP 8 HZ2 TRP 8 -5.820 -1.833 -3.421 60 HZ3 TRP 8 HZ3 TRP 8 -1.619 -1.186 -2.939 61 HH2 TRP 8 HH2 TRP 8 -3.570 -1.433 -4.445 62 H GLU 9 HN GLU 9 -1.134 -3.792 3.178 63 HA GLU 9 HA GLU 9 -0.912 -2.924 5.992 64 HB2 GLU 9 HB2 GLU 9 -1.291 -5.379 5.027 65 HB3 GLU 9 HB3 GLU 9 0.464 -5.371 4.947 66 HG2 GLU 9 HG2 GLU 9 0.665 -5.190 7.304 67 HG3 GLU 9 HG3 GLU 9 -0.929 -4.446 7.487 68 H LYS 10 HN LYS 10 0.094 -1.378 3.865 69 HA LYS 10 HA LYS 10 1.967 0.044 3.437 70 HB2 LYS 10 HB2 LYS 10 1.683 -0.268 6.434 71 HB3 LYS 10 HB3 LYS 10 2.621 0.988 5.643 72 HG2 LYS 10 HG2 LYS 10 0.418 1.712 6.466 73 HG3 LYS 10 HG3 LYS 10 0.741 2.073 4.781 74 HD2 LYS 10 HD2 LYS 10 -0.827 0.508 3.989 75 HD3 LYS 10 HD3 LYS 10 -0.900 -0.372 5.520 76 HE2 LYS 10 HE2 LYS 10 -1.808 2.493 5.312 77 HE3 LYS 10 HE3 LYS 10 -2.863 1.138 4.870 78 HZ1 LYS 10 HZ1 LYS 10 -2.181 0.321 7.238 79 HZ2 LYS 10 HZ2 LYS 10 -1.839 1.927 7.483 80 HZ3 LYS 10 HZ3 LYS 10 -3.352 1.468 7.056 81 H ARG 11 HN ARG 11 3.384 -1.290 2.388 82 HA ARG 11 HA ARG 11 5.334 -3.045 3.717 83 HB2 ARG 11 HB2 ARG 11 3.990 -3.231 1.316 84 HB3 ARG 11 HB3 ARG 11 5.420 -2.391 0.788 85 HG2 ARG 11 HG2 ARG 11 6.184 -4.558 0.545 86 HG3 ARG 11 HG3 ARG 11 6.644 -4.341 2.232 87 HD2 ARG 11 HD2 ARG 11 4.290 -5.211 2.816 88 HD3 ARG 11 HD3 ARG 11 4.142 -5.671 1.113 89 HE ARG 11 HE ARG 11 5.642 -6.956 3.224 90 HH11 ARG 11 2HH2 ARG 11 5.363 -6.700 -0.341 91 HH12 ARG 11 1HH2 ARG 11 6.085 -8.250 -0.593 92 HH21 ARG 11 2HH1 ARG 11 6.572 -8.949 2.841 93 HH22 ARG 11 1HH1 ARG 11 6.707 -9.615 1.257 94 H MET 12 HN MET 12 7.645 -2.636 2.347 95 HA MET 12 HA MET 12 7.906 0.237 1.800 96 HB2 MET 12 HB2 MET 12 9.965 -1.444 3.248 97 HB3 MET 12 HB3 MET 12 10.313 0.124 2.502 98 HG2 MET 12 HG2 MET 12 8.667 1.234 3.925 99 HG3 MET 12 HG3 MET 12 8.235 -0.301 4.677 100 HE1 MET 12 HE1 MET 12 11.254 -1.265 6.828 101 HE2 MET 12 HE2 MET 12 9.731 -1.755 6.061 102 HE3 MET 12 HE3 MET 12 11.232 -1.689 5.111 103 H SER 13 HN SER 13 8.978 0.711 -0.130 104 HA SER 13 HA SER 13 9.780 -1.441 -1.932 105 HB2 SER 13 HB2 SER 13 9.740 1.617 -2.018 106 HB3 SER 13 HB3 SER 13 10.289 0.580 -3.316 107 HG SER 13 HG SER 13 8.316 0.535 -3.943 108 H ARG 14 HN ARG 14 11.587 -2.298 -0.538 109 HA ARG 14 HA ARG 14 13.689 -0.670 0.457 110 HB2 ARG 14 HB2 ARG 14 13.427 -3.094 0.964 111 HB3 ARG 14 HB3 ARG 14 13.939 -3.498 -0.679 112 HG2 ARG 14 HG2 ARG 14 16.147 -2.558 -0.293 113 HG3 ARG 14 HG3 ARG 14 15.646 -1.884 1.265 114 HD2 ARG 14 HD2 ARG 14 15.643 -4.870 0.732 115 HD3 ARG 14 HD3 ARG 14 17.092 -4.014 1.256 116 HE ARG 14 HE ARG 14 14.776 -4.714 2.853 117 HH11 ARG 14 2HH2 ARG 14 17.657 -2.565 2.729 118 HH12 ARG 14 1HH2 ARG 14 17.682 -2.380 4.454 119 HH21 ARG 14 2HH1 ARG 14 14.868 -4.356 5.131 120 HH22 ARG 14 1HH1 ARG 14 16.279 -3.607 5.798 121 H SER 15 HN SER 15 12.938 -1.659 -2.814 122 HA SER 15 HA SER 15 15.070 -1.216 -4.355 123 HB2 SER 15 HB2 SER 15 12.462 0.050 -5.145 124 HB3 SER 15 HB3 SER 15 13.494 -1.087 -6.029 125 HG SER 15 HG SER 15 11.393 -1.896 -5.196 126 H SER 16 HN SER 16 12.992 1.389 -2.929 127 HA SER 16 HA SER 16 14.927 3.426 -3.927 128 HB2 SER 16 HB2 SER 16 11.905 3.466 -4.114 129 HB3 SER 16 HB3 SER 16 12.997 4.758 -4.620 130 HG SER 16 HG SER 16 13.147 3.810 -6.418 131 H GLY 17 HN GLY 17 12.937 2.367 -1.227 132 HA2 GLY 17 HA1 GLY 17 12.632 3.411 0.832 133 HA3 GLY 17 HA2 GLY 17 13.420 4.876 0.246 134 H ARG 18 HN ARG 18 10.448 3.000 0.270 135 HA ARG 18 HA ARG 18 8.793 5.305 0.478 136 HB2 ARG 18 HB2 ARG 18 8.481 3.485 -2.001 137 HB3 ARG 18 HB3 ARG 18 7.112 4.208 -1.232 138 HG2 ARG 18 HG2 ARG 18 7.314 5.859 -2.672 139 HG3 ARG 18 HG3 ARG 18 8.510 6.480 -1.547 140 HD2 ARG 18 HD2 ARG 18 9.845 4.612 -3.284 141 HD3 ARG 18 HD3 ARG 18 8.807 5.578 -4.317 142 HE ARG 18 HE ARG 18 11.032 6.492 -2.591 143 HH11 ARG 18 2HH2 ARG 18 8.363 7.563 -4.711 144 HH12 ARG 18 1HH2 ARG 18 9.088 9.120 -5.000 145 HH21 ARG 18 2HH1 ARG 18 11.939 8.461 -3.007 146 HH22 ARG 18 1HH1 ARG 18 11.079 9.741 -3.807 147 H VAL 19 HN VAL 19 6.578 4.607 0.915 148 HA VAL 19 HA VAL 19 6.571 1.953 2.185 149 HB VAL 19 HB VAL 19 6.744 3.883 3.697 150 HG11 VAL 19 1HG1 VAL 19 5.216 5.499 2.535 151 HG12 VAL 19 2HG1 VAL 19 3.840 4.553 3.153 152 HG13 VAL 19 3HG1 VAL 19 4.958 5.318 4.277 153 HG21 VAL 19 3HG2 VAL 19 4.204 2.162 3.897 154 HG22 VAL 19 1HG2 VAL 19 5.802 1.783 4.569 155 HG23 VAL 19 2HG2 VAL 19 4.853 3.109 5.251 156 H TYR 20 HN TYR 20 5.950 1.121 0.047 157 HA TYR 20 HA TYR 20 3.566 2.293 -1.111 158 HB2 TYR 20 HB2 TYR 20 3.402 0.595 -2.673 159 HB3 TYR 20 HB3 TYR 20 5.083 1.033 -2.616 160 HD1 TYR 20 HD1 TYR 20 6.632 -0.588 -1.583 161 HD2 TYR 20 HD2 TYR 20 2.564 -1.529 -2.185 162 HE1 TYR 20 HE1 TYR 20 7.178 -3.105 -1.629 163 HE2 TYR 20 HE2 TYR 20 3.060 -3.936 -2.390 164 HH TYR 20 HH TYR 20 4.892 -5.425 -2.792 165 H TYR 21 HN TYR 21 1.504 1.507 -0.989 166 HA TYR 21 HA TYR 21 0.922 -0.009 1.499 167 HB2 TYR 21 HB2 TYR 21 -0.921 1.366 -0.492 168 HB3 TYR 21 HB3 TYR 21 -1.442 0.411 0.857 169 HD1 TYR 21 HD1 TYR 21 1.499 2.780 1.234 170 HD2 TYR 21 HD2 TYR 21 -2.595 1.862 2.127 171 HE1 TYR 21 HE1 TYR 21 1.551 4.374 2.968 172 HE2 TYR 21 HE2 TYR 21 -2.608 3.697 3.835 173 HH TYR 21 HH TYR 21 0.437 5.188 4.874 174 H PHE 22 HN PHE 22 0.542 -2.138 1.414 175 HA PHE 22 HA PHE 22 0.570 -3.463 -1.252 176 HB2 PHE 22 HB2 PHE 22 2.601 -3.985 -0.130 177 HB3 PHE 22 HB3 PHE 22 1.807 -4.220 1.412 178 HD1 PHE 22 HD2 PHE 22 1.610 -5.537 -2.129 179 HD2 PHE 22 HD1 PHE 22 1.378 -6.465 2.096 180 HE1 PHE 22 HE2 PHE 22 1.242 -7.878 -2.657 181 HE2 PHE 22 HE1 PHE 22 0.997 -8.835 1.535 182 HZ PHE 22 HZ PHE 22 0.920 -9.558 -0.858 183 H ASN 23 HN ASN 23 -1.343 -4.364 -1.709 184 HA ASN 23 HA ASN 23 -3.425 -4.780 0.333 185 HB2 ASN 23 HB2 ASN 23 -3.716 -3.988 -2.055 186 HB3 ASN 23 HB3 ASN 23 -3.485 -5.641 -2.594 187 HD21 ASN 23 1HD2 ASN 23 -5.847 -4.846 -3.465 188 HD22 ASN 23 2HD2 ASN 23 -7.133 -5.137 -2.307 189 H HIS 24 HN HIS 24 -4.204 -6.703 0.901 190 HA HIS 24 HA HIS 24 -2.784 -9.196 0.118 191 HB2 HIS 24 HB2 HIS 24 -3.720 -10.159 2.053 192 HB3 HIS 24 HB3 HIS 24 -2.870 -8.706 2.505 193 HD1 HIS 24 HD1 HIS 24 -4.162 -7.311 4.276 194 HD2 HIS 24 HD2 HIS 24 -6.587 -9.731 1.840 195 HE1 HIS 24 HE1 HIS 24 -6.527 -6.961 5.039 196 H ILE 25 HN ILE 25 -5.825 -7.474 -0.252 197 HA ILE 25 HA ILE 25 -7.428 -9.749 -0.957 198 HB ILE 25 HB ILE 25 -7.843 -6.865 -1.785 199 HG12 ILE 25 2HG1 ILE 25 -7.599 -7.031 0.698 200 HG13 ILE 25 3HG1 ILE 25 -9.158 -6.481 0.156 201 HG21 ILE 25 1HG2 ILE 25 -9.243 -8.377 -3.064 202 HG22 ILE 25 2HG2 ILE 25 -9.769 -9.205 -1.598 203 HG23 ILE 25 3HG2 ILE 25 -10.234 -7.514 -1.884 204 HD11 ILE 25 3HD1 ILE 25 -10.186 -8.622 0.643 205 HD12 ILE 25 1HD1 ILE 25 -8.602 -9.341 0.995 206 HD13 ILE 25 2HD1 ILE 25 -9.254 -8.062 2.039 207 H THR 26 HN THR 26 -5.908 -7.165 -3.032 208 HA THR 26 HA THR 26 -6.115 -9.041 -5.314 209 HB THR 26 HB THR 26 -6.221 -7.091 -6.718 210 HG1 THR 26 HG1 THR 26 -5.667 -5.241 -6.058 211 HG21 THR 26 1HG2 THR 26 -8.427 -6.391 -6.156 212 HG22 THR 26 2HG2 THR 26 -8.288 -8.073 -5.650 213 HG23 THR 26 3HG2 THR 26 -8.210 -6.771 -4.439 214 H ASN 27 HN ASN 27 -3.718 -8.533 -3.277 215 HA ASN 27 HA ASN 27 -1.438 -8.279 -3.323 216 HB2 ASN 27 HB2 ASN 27 -1.637 -10.573 -3.839 217 HB3 ASN 27 HB3 ASN 27 -1.999 -10.236 -5.534 218 HD21 ASN 27 1HD2 ASN 27 -0.256 -11.572 -6.282 219 HD22 ASN 27 2HD2 ASN 27 1.426 -11.190 -5.989 220 H ALA 28 HN ALA 28 -1.569 -5.990 -3.802 221 HA ALA 28 HA ALA 28 -0.265 -5.277 -6.325 222 HB1 ALA 28 HB1 ALA 28 -2.901 -4.025 -5.416 223 HB2 ALA 28 HB2 ALA 28 -1.896 -3.463 -6.769 224 HB3 ALA 28 HB3 ALA 28 -2.668 -5.054 -6.852 225 H SER 29 HN SER 29 0.340 -2.898 -6.217 226 HA SER 29 HA SER 29 1.096 -2.116 -3.479 227 HB2 SER 29 HB2 SER 29 3.137 -1.094 -4.601 228 HB3 SER 29 HB3 SER 29 3.077 -2.845 -4.641 229 HG SER 29 HG SER 29 3.446 -1.366 -6.660 230 H GLN 30 HN GLN 30 1.398 0.369 -3.276 231 HA GLN 30 HA GLN 30 0.251 2.120 -5.263 232 HB2 GLN 30 HB2 GLN 30 -1.590 0.963 -3.311 233 HB3 GLN 30 HB3 GLN 30 -1.492 2.657 -3.007 234 HG2 GLN 30 HG2 GLN 30 -1.904 1.557 -5.805 235 HG3 GLN 30 HG3 GLN 30 -3.242 1.792 -4.684 236 HE21 GLN 30 1HE2 GLN 30 -3.156 3.134 -7.185 237 HE22 GLN 30 2HE2 GLN 30 -2.983 4.855 -6.840 238 H TRP 31 HN TRP 31 -0.219 4.411 -4.034 239 HA TRP 31 HA TRP 31 1.946 4.828 -2.037 240 HB2 TRP 31 HB2 TRP 31 0.960 6.774 -4.131 241 HB3 TRP 31 HB3 TRP 31 2.309 6.973 -3.038 242 HD1 TRP 31 HD1 TRP 31 1.639 6.334 -6.469 243 HE1 TRP 31 HE1 TRP 31 3.583 5.282 -7.743 244 HE3 TRP 31 HE3 TRP 31 4.337 4.545 -2.469 245 HZ2 TRP 31 HZ2 TRP 31 5.988 3.750 -7.082 246 HZ3 TRP 31 HZ3 TRP 31 6.280 3.082 -2.875 247 HH2 TRP 31 HH2 TRP 31 7.162 2.744 -5.160 248 H GLU 32 HN GLU 32 -1.435 5.367 -2.955 249 HA GLU 32 HA GLU 32 -1.889 7.448 -0.935 250 HB2 GLU 32 HB2 GLU 32 -3.627 5.969 -2.956 251 HB3 GLU 32 HB3 GLU 32 -4.363 6.903 -1.670 252 HG2 GLU 32 HG2 GLU 32 -4.283 8.618 -3.047 253 HG3 GLU 32 HG3 GLU 32 -2.593 8.750 -2.574 254 H ARG 33 HN ARG 33 -4.071 6.969 0.391 255 HA ARG 33 HA ARG 33 -3.562 4.518 1.956 256 HB2 ARG 33 HB2 ARG 33 -4.328 5.622 3.880 257 HB3 ARG 33 HB3 ARG 33 -3.163 6.648 3.088 258 HG2 ARG 33 HG2 ARG 33 -4.656 8.217 3.653 259 HG3 ARG 33 HG3 ARG 33 -5.363 7.840 2.090 260 HD2 ARG 33 HD2 ARG 33 -7.162 6.607 3.103 261 HD3 ARG 33 HD3 ARG 33 -6.254 6.382 4.586 262 HE ARG 33 HE ARG 33 -6.709 8.511 5.328 263 HH11 ARG 33 2HH2 ARG 33 -8.496 7.989 2.275 264 HH12 ARG 33 1HH2 ARG 33 -9.958 8.684 2.853 265 HH21 ARG 33 2HH1 ARG 33 -8.568 9.727 5.978 266 HH22 ARG 33 1HH1 ARG 33 -9.829 10.023 4.833 267 HA PRO 34 HA PRO 34 -7.922 3.493 1.106 268 HB2 PRO 34 HB2 PRO 34 -7.934 1.174 2.759 269 HB3 PRO 34 HB3 PRO 34 -7.777 1.299 1.008 270 HG2 PRO 34 HG2 PRO 34 -5.734 0.617 2.957 271 HG3 PRO 34 HG3 PRO 34 -5.685 0.506 1.172 272 HD2 PRO 34 HD2 PRO 34 -4.480 2.493 2.888 273 HD3 PRO 34 HD3 PRO 34 -4.384 2.346 1.119 274 H SER 35 HN SER 35 -9.762 3.073 2.538 275 HA SER 35 HA SER 35 -9.447 3.924 5.347 276 HB2 SER 35 HB2 SER 35 -9.678 5.910 3.713 277 HB3 SER 35 HB3 SER 35 -11.327 5.339 3.417 278 HG SER 35 HG SER 35 -11.835 6.355 5.109 279 H GLY 36 HN GLY 36 -11.342 2.258 2.775 280 HA2 GLY 36 HA1 GLY 36 -13.006 0.573 3.556 281 HA3 GLY 36 HA2 GLY 36 -13.595 1.877 4.610 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -7.285 8.521 -5.010 2 H2 GLY 1 H2 GLY 1 -8.754 7.997 -5.501 3 H3 GLY 1 H3 GLY 1 -8.141 9.366 -6.159 4 HA2 GLY 1 HA1 GLY 1 -8.344 10.535 -4.109 5 HA3 GLY 1 HA2 GLY 1 -9.888 9.800 -4.556 6 H SER 2 HN SER 2 -10.697 7.980 -3.365 7 HA SER 2 HA SER 2 -9.074 6.965 -1.114 8 HB2 SER 2 HB2 SER 2 -11.989 7.799 -0.902 9 HB3 SER 2 HB3 SER 2 -10.961 7.152 0.389 10 HG SER 2 HG SER 2 -9.679 9.013 0.254 11 H LYS 3 HN LYS 3 -9.661 5.954 -3.766 12 HA LYS 3 HA LYS 3 -11.735 3.881 -3.664 13 HB2 LYS 3 HB2 LYS 3 -10.796 3.175 -5.825 14 HB3 LYS 3 HB3 LYS 3 -11.120 4.903 -5.809 15 HG2 LYS 3 HG2 LYS 3 -8.606 5.186 -5.206 16 HG3 LYS 3 HG3 LYS 3 -8.411 3.496 -5.660 17 HD2 LYS 3 HD2 LYS 3 -9.519 5.718 -7.422 18 HD3 LYS 3 HD3 LYS 3 -7.846 5.226 -7.408 19 HE2 LYS 3 HE2 LYS 3 -10.124 3.308 -8.075 20 HE3 LYS 3 HE3 LYS 3 -9.323 4.320 -9.282 21 HZ1 LYS 3 HZ1 LYS 3 -8.070 2.176 -7.693 22 HZ2 LYS 3 HZ2 LYS 3 -8.289 2.262 -9.316 23 HZ3 LYS 3 HZ3 LYS 3 -7.203 3.263 -8.592 24 H LEU 4 HN LEU 4 -8.351 4.242 -2.784 25 HA LEU 4 HA LEU 4 -7.582 1.547 -2.941 26 HB2 LEU 4 HB2 LEU 4 -6.284 3.708 -2.771 27 HB3 LEU 4 HB3 LEU 4 -6.437 3.579 -1.029 28 HG LEU 4 HG LEU 4 -5.282 1.287 -2.725 29 HD11 LEU 4 1HD1 LEU 4 -3.990 3.149 -3.456 30 HD12 LEU 4 2HD1 LEU 4 -4.013 3.854 -1.838 31 HD13 LEU 4 3HD1 LEU 4 -3.012 2.424 -2.161 32 HD21 LEU 4 3HD2 LEU 4 -5.601 0.779 -0.378 33 HD22 LEU 4 1HD2 LEU 4 -3.868 1.052 -0.627 34 HD23 LEU 4 2HD2 LEU 4 -4.848 2.349 0.050 35 HA PRO 5 HA PRO 5 -10.519 0.367 0.265 36 HB2 PRO 5 HB2 PRO 5 -10.378 -2.356 -0.066 37 HB3 PRO 5 HB3 PRO 5 -11.018 -1.247 -1.326 38 HG2 PRO 5 HG2 PRO 5 -8.364 -2.610 -1.111 39 HG3 PRO 5 HG3 PRO 5 -9.359 -2.354 -2.569 40 HD2 PRO 5 HD2 PRO 5 -7.206 -0.666 -1.789 41 HD3 PRO 5 HD3 PRO 5 -8.522 -0.232 -2.889 42 HA PRO 6 HA PRO 6 -8.191 -1.298 3.785 43 HB2 PRO 6 HB2 PRO 6 -9.865 -2.943 5.186 44 HB3 PRO 6 HB3 PRO 6 -10.137 -1.174 5.095 45 HG2 PRO 6 HG2 PRO 6 -11.447 -3.354 3.439 46 HG3 PRO 6 HG3 PRO 6 -12.231 -1.978 4.274 47 HD2 PRO 6 HD2 PRO 6 -11.550 -1.987 1.607 48 HD3 PRO 6 HD3 PRO 6 -11.652 -0.508 2.566 49 H GLY 7 HN GLY 7 -7.474 -3.653 4.675 50 HA2 GLY 7 HA1 GLY 7 -7.044 -6.038 4.000 51 HA3 GLY 7 HA2 GLY 7 -7.341 -5.539 2.356 52 H TRP 8 HN TRP 8 -5.570 -3.125 3.964 53 HA TRP 8 HA TRP 8 -3.170 -3.959 2.400 54 HB2 TRP 8 HB2 TRP 8 -4.409 -1.273 2.965 55 HB3 TRP 8 HB3 TRP 8 -2.814 -1.487 2.266 56 HD1 TRP 8 HD1 TRP 8 -6.448 -2.718 1.329 57 HE1 TRP 8 HE1 TRP 8 -6.740 -2.466 -1.080 58 HE3 TRP 8 HE3 TRP 8 -1.809 -1.031 0.143 59 HZ2 TRP 8 HZ2 TRP 8 -5.258 -1.451 -3.363 60 HZ3 TRP 8 HZ3 TRP 8 -1.263 -0.407 -2.240 61 HH2 TRP 8 HH2 TRP 8 -3.007 -0.646 -3.993 62 H GLU 9 HN GLU 9 -1.441 -4.208 3.519 63 HA GLU 9 HA GLU 9 -1.360 -3.595 6.399 64 HB2 GLU 9 HB2 GLU 9 0.110 -5.432 4.494 65 HB3 GLU 9 HB3 GLU 9 0.700 -5.213 6.149 66 HG2 GLU 9 HG2 GLU 9 -1.177 -6.214 7.130 67 HG3 GLU 9 HG3 GLU 9 -2.162 -6.047 5.675 68 H LYS 10 HN LYS 10 -0.908 -1.596 4.413 69 HA LYS 10 HA LYS 10 0.815 -0.128 3.480 70 HB2 LYS 10 HB2 LYS 10 0.412 0.516 6.425 71 HB3 LYS 10 HB3 LYS 10 1.257 1.553 5.286 72 HG2 LYS 10 HG2 LYS 10 -1.001 1.395 3.883 73 HG3 LYS 10 HG3 LYS 10 -1.672 0.923 5.449 74 HD2 LYS 10 HD2 LYS 10 -0.165 3.042 6.229 75 HD3 LYS 10 HD3 LYS 10 -0.479 3.544 4.562 76 HE2 LYS 10 HE2 LYS 10 -2.781 3.698 4.900 77 HE3 LYS 10 HE3 LYS 10 -2.705 2.704 6.373 78 HZ1 LYS 10 HZ1 LYS 10 -1.375 4.536 7.374 79 HZ2 LYS 10 HZ2 LYS 10 -1.721 5.487 6.101 80 HZ3 LYS 10 HZ3 LYS 10 -2.934 4.918 7.067 81 H ARG 11 HN ARG 11 2.835 -1.151 2.857 82 HA ARG 11 HA ARG 11 4.724 -1.617 5.097 83 HB2 ARG 11 HB2 ARG 11 3.402 -3.621 3.942 84 HB3 ARG 11 HB3 ARG 11 4.632 -3.409 2.703 85 HG2 ARG 11 HG2 ARG 11 6.139 -3.293 5.072 86 HG3 ARG 11 HG3 ARG 11 4.872 -4.380 5.546 87 HD2 ARG 11 HD2 ARG 11 6.607 -4.760 3.066 88 HD3 ARG 11 HD3 ARG 11 6.969 -5.433 4.672 89 HE ARG 11 HE ARG 11 4.326 -6.126 4.026 90 HH11 ARG 11 2HH2 ARG 11 7.587 -6.888 2.894 91 HH12 ARG 11 1HH2 ARG 11 7.131 -8.437 2.240 92 HH21 ARG 11 2HH1 ARG 11 3.793 -8.285 3.462 93 HH22 ARG 11 1HH1 ARG 11 4.935 -9.239 2.585 94 H MET 12 HN MET 12 7.068 -2.149 3.978 95 HA MET 12 HA MET 12 7.417 0.125 2.139 96 HB2 MET 12 HB2 MET 12 9.441 -0.968 4.093 97 HB3 MET 12 HB3 MET 12 9.631 0.440 3.044 98 HG2 MET 12 HG2 MET 12 7.667 1.508 4.183 99 HG3 MET 12 HG3 MET 12 7.623 0.152 5.314 100 HE1 MET 12 HE1 MET 12 8.878 2.999 7.626 101 HE2 MET 12 HE2 MET 12 7.604 3.009 6.386 102 HE3 MET 12 HE3 MET 12 7.782 1.609 7.472 103 H SER 13 HN SER 13 8.850 0.056 0.478 104 HA SER 13 HA SER 13 9.531 -2.627 -0.650 105 HB2 SER 13 HB2 SER 13 8.100 -1.120 -2.051 106 HB3 SER 13 HB3 SER 13 9.320 0.143 -1.934 107 HG SER 13 HG SER 13 9.200 -1.362 -3.846 108 H ARG 14 HN ARG 14 11.659 -2.484 -1.954 109 HA ARG 14 HA ARG 14 13.771 -1.073 -0.481 110 HB2 ARG 14 HB2 ARG 14 13.712 -3.040 -2.674 111 HB3 ARG 14 HB3 ARG 14 14.767 -1.686 -3.066 112 HG2 ARG 14 HG2 ARG 14 14.902 -3.241 -0.462 113 HG3 ARG 14 HG3 ARG 14 15.907 -3.583 -1.873 114 HD2 ARG 14 HD2 ARG 14 17.296 -1.806 -1.510 115 HD3 ARG 14 HD3 ARG 14 15.982 -0.721 -1.109 116 HE ARG 14 HE ARG 14 16.133 -1.206 1.132 117 HH11 ARG 14 2HH2 ARG 14 18.435 -3.349 -0.574 118 HH12 ARG 14 1HH2 ARG 14 19.045 -4.018 0.904 119 HH21 ARG 14 2HH1 ARG 14 16.917 -2.001 2.934 120 HH22 ARG 14 1HH1 ARG 14 18.070 -3.319 2.990 121 H SER 15 HN SER 15 11.650 -0.399 -3.315 122 HA SER 15 HA SER 15 13.161 1.487 -4.523 123 HB2 SER 15 HB2 SER 15 11.099 2.328 -5.543 124 HB3 SER 15 HB3 SER 15 11.181 0.561 -5.537 125 HG SER 15 HG SER 15 9.901 2.021 -3.499 126 H SER 16 HN SER 16 14.140 3.167 -3.544 127 HA SER 16 HA SER 16 14.697 4.692 -2.000 128 HB2 SER 16 HB2 SER 16 13.219 5.792 -3.855 129 HB3 SER 16 HB3 SER 16 12.073 6.068 -2.539 130 HG SER 16 HG SER 16 13.616 7.274 -1.472 131 H GLY 17 HN GLY 17 13.375 2.403 -0.749 132 HA2 GLY 17 HA1 GLY 17 12.535 1.728 1.258 133 HA3 GLY 17 HA2 GLY 17 13.033 3.309 1.890 134 H ARG 18 HN ARG 18 10.668 3.384 -0.654 135 HA ARG 18 HA ARG 18 8.798 4.913 0.928 136 HB2 ARG 18 HB2 ARG 18 8.523 3.212 -1.595 137 HB3 ARG 18 HB3 ARG 18 7.230 4.204 -1.010 138 HG2 ARG 18 HG2 ARG 18 8.627 6.276 -1.292 139 HG3 ARG 18 HG3 ARG 18 9.930 5.268 -1.955 140 HD2 ARG 18 HD2 ARG 18 8.116 4.384 -3.600 141 HD3 ARG 18 HD3 ARG 18 7.167 5.803 -3.099 142 HE ARG 18 HE ARG 18 9.662 6.798 -3.787 143 HH11 ARG 18 2HH2 ARG 18 6.853 5.374 -5.466 144 HH12 ARG 18 1HH2 ARG 18 7.461 5.877 -7.025 145 HH21 ARG 18 2HH1 ARG 18 10.537 7.096 -5.955 146 HH22 ARG 18 1HH1 ARG 18 9.649 6.423 -7.271 147 H VAL 19 HN VAL 19 6.764 4.519 1.374 148 HA VAL 19 HA VAL 19 6.252 1.828 2.417 149 HB VAL 19 HB VAL 19 6.462 3.628 4.008 150 HG11 VAL 19 1HG1 VAL 19 5.398 5.508 2.881 151 HG12 VAL 19 2HG1 VAL 19 3.816 4.742 3.039 152 HG13 VAL 19 3HG1 VAL 19 4.722 5.214 4.489 153 HG21 VAL 19 3HG2 VAL 19 5.197 1.570 4.570 154 HG22 VAL 19 1HG2 VAL 19 4.429 2.949 5.357 155 HG23 VAL 19 2HG2 VAL 19 3.711 2.260 3.886 156 H TYR 20 HN TYR 20 6.119 1.665 -0.057 157 HA TYR 20 HA TYR 20 3.685 2.489 -1.336 158 HB2 TYR 20 HB2 TYR 20 4.175 0.997 -3.087 159 HB3 TYR 20 HB3 TYR 20 5.751 1.577 -2.567 160 HD1 TYR 20 HD1 TYR 20 5.900 -0.276 -0.139 161 HD2 TYR 20 HD2 TYR 20 5.049 -0.972 -4.252 162 HE1 TYR 20 HE1 TYR 20 6.390 -2.700 0.199 163 HE2 TYR 20 HE2 TYR 20 5.574 -3.376 -3.964 164 HH TYR 20 HH TYR 20 6.451 -4.997 -2.530 165 H TYR 21 HN TYR 21 1.761 2.062 -0.508 166 HA TYR 21 HA TYR 21 1.452 0.081 1.517 167 HB2 TYR 21 HB2 TYR 21 -0.783 1.199 -0.175 168 HB3 TYR 21 HB3 TYR 21 -0.850 0.673 1.515 169 HD1 TYR 21 HD1 TYR 21 0.990 1.993 3.026 170 HD2 TYR 21 HD2 TYR 21 -0.294 3.408 -0.792 171 HE1 TYR 21 HE1 TYR 21 1.698 4.145 3.609 172 HE2 TYR 21 HE2 TYR 21 0.496 5.686 -0.199 173 HH TYR 21 HH TYR 21 1.912 6.375 3.047 174 H PHE 22 HN PHE 22 0.382 -2.090 1.351 175 HA PHE 22 HA PHE 22 0.325 -3.197 -1.384 176 HB2 PHE 22 HB2 PHE 22 2.474 -3.853 -0.736 177 HB3 PHE 22 HB3 PHE 22 2.051 -3.999 0.959 178 HD1 PHE 22 HD2 PHE 22 1.919 -5.699 -2.336 179 HD2 PHE 22 HD1 PHE 22 1.006 -6.009 1.879 180 HE1 PHE 22 HE2 PHE 22 1.646 -8.143 -2.562 181 HE2 PHE 22 HE1 PHE 22 0.710 -8.437 1.644 182 HZ PHE 22 HZ PHE 22 0.997 -9.524 -0.600 183 H ASN 23 HN ASN 23 -1.395 -4.422 -1.639 184 HA ASN 23 HA ASN 23 -3.423 -4.821 0.473 185 HB2 ASN 23 HB2 ASN 23 -3.828 -4.027 -1.967 186 HB3 ASN 23 HB3 ASN 23 -3.500 -5.669 -2.444 187 HD21 ASN 23 1HD2 ASN 23 -5.927 -4.203 -2.954 188 HD22 ASN 23 2HD2 ASN 23 -7.207 -5.140 -2.171 189 H HIS 24 HN HIS 24 -4.157 -6.847 0.895 190 HA HIS 24 HA HIS 24 -2.490 -9.160 0.294 191 HB2 HIS 24 HB2 HIS 24 -4.036 -10.413 1.629 192 HB3 HIS 24 HB3 HIS 24 -3.544 -8.970 2.477 193 HD1 HIS 24 HD1 HIS 24 -6.098 -7.140 0.942 194 HD2 HIS 24 HD2 HIS 24 -6.049 -10.468 3.498 195 HE1 HIS 24 HE1 HIS 24 -8.390 -7.315 1.989 196 H ILE 25 HN ILE 25 -5.891 -8.391 -0.440 197 HA ILE 25 HA ILE 25 -6.366 -10.699 -1.905 198 HB ILE 25 HB ILE 25 -7.804 -8.105 -1.412 199 HG12 ILE 25 2HG1 ILE 25 -8.360 -11.043 -0.775 200 HG13 ILE 25 3HG1 ILE 25 -7.422 -9.990 0.251 201 HG21 ILE 25 1HG2 ILE 25 -9.871 -8.945 -2.426 202 HG22 ILE 25 2HG2 ILE 25 -8.647 -8.686 -3.648 203 HG23 ILE 25 3HG2 ILE 25 -9.004 -10.342 -3.096 204 HD11 ILE 25 3HD1 ILE 25 -10.374 -9.800 -0.337 205 HD12 ILE 25 1HD1 ILE 25 -9.560 -10.018 1.223 206 HD13 ILE 25 2HD1 ILE 25 -9.455 -8.459 0.386 207 H THR 26 HN THR 26 -4.929 -7.809 -3.104 208 HA THR 26 HA THR 26 -5.253 -8.890 -5.878 209 HB THR 26 HB THR 26 -5.070 -6.561 -6.625 210 HG1 THR 26 HG1 THR 26 -5.661 -5.752 -4.010 211 HG21 THR 26 1HG2 THR 26 -7.358 -5.886 -6.025 212 HG22 THR 26 2HG2 THR 26 -7.327 -7.649 -6.223 213 HG23 THR 26 3HG2 THR 26 -7.351 -6.939 -4.601 214 H ASN 27 HN ASN 27 -3.092 -8.609 -3.426 215 HA ASN 27 HA ASN 27 -0.963 -8.111 -3.062 216 HB2 ASN 27 HB2 ASN 27 0.623 -9.384 -4.153 217 HB3 ASN 27 HB3 ASN 27 -0.863 -10.324 -4.095 218 HD21 ASN 27 1HD2 ASN 27 -1.441 -11.317 -6.063 219 HD22 ASN 27 2HD2 ASN 27 -0.840 -10.786 -7.622 220 H ALA 28 HN ALA 28 -2.418 -6.145 -5.111 221 HA ALA 28 HA ALA 28 -0.290 -4.877 -6.539 222 HB1 ALA 28 HB1 ALA 28 -3.009 -3.818 -5.622 223 HB2 ALA 28 HB2 ALA 28 -1.960 -3.068 -6.844 224 HB3 ALA 28 HB3 ALA 28 -2.684 -4.655 -7.160 225 H SER 29 HN SER 29 0.380 -2.566 -6.088 226 HA SER 29 HA SER 29 0.237 -1.797 -3.329 227 HB2 SER 29 HB2 SER 29 2.814 -1.375 -3.344 228 HB3 SER 29 HB3 SER 29 2.267 -3.025 -3.082 229 HG SER 29 HG SER 29 3.017 -3.641 -4.928 230 H GLN 30 HN GLN 30 1.197 0.583 -3.051 231 HA GLN 30 HA GLN 30 0.709 2.202 -5.441 232 HB2 GLN 30 HB2 GLN 30 -1.641 1.418 -3.675 233 HB3 GLN 30 HB3 GLN 30 -1.632 2.974 -4.460 234 HG2 GLN 30 HG2 GLN 30 -1.130 1.550 -6.648 235 HG3 GLN 30 HG3 GLN 30 -1.930 0.285 -5.723 236 HE21 GLN 30 1HE2 GLN 30 -2.296 3.418 -7.329 237 HE22 GLN 30 2HE2 GLN 30 -3.983 3.698 -6.928 238 H TRP 31 HN TRP 31 -0.318 4.444 -4.643 239 HA TRP 31 HA TRP 31 1.519 5.458 -2.542 240 HB2 TRP 31 HB2 TRP 31 0.608 6.858 -5.057 241 HB3 TRP 31 HB3 TRP 31 1.938 7.288 -4.002 242 HD1 TRP 31 HD1 TRP 31 1.486 6.117 -7.302 243 HE1 TRP 31 HE1 TRP 31 3.380 4.634 -8.188 244 HE3 TRP 31 HE3 TRP 31 3.869 5.144 -2.886 245 HZ2 TRP 31 HZ2 TRP 31 5.540 3.089 -7.100 246 HZ3 TRP 31 HZ3 TRP 31 5.855 3.717 -2.833 247 HH2 TRP 31 HH2 TRP 31 6.698 2.613 -4.920 248 H GLU 32 HN GLU 32 -1.791 5.656 -3.767 249 HA GLU 32 HA GLU 32 -2.696 7.808 -1.984 250 HB2 GLU 32 HB2 GLU 32 -3.942 7.245 -3.961 251 HB3 GLU 32 HB3 GLU 32 -3.994 5.536 -3.544 252 HG2 GLU 32 HG2 GLU 32 -5.508 6.042 -1.643 253 HG3 GLU 32 HG3 GLU 32 -5.442 7.764 -2.063 254 H ARG 33 HN ARG 33 -4.235 6.968 0.019 255 HA ARG 33 HA ARG 33 -3.029 4.495 1.137 256 HB2 ARG 33 HB2 ARG 33 -2.854 5.497 3.323 257 HB3 ARG 33 HB3 ARG 33 -1.872 6.379 2.157 258 HG2 ARG 33 HG2 ARG 33 -3.613 8.153 2.009 259 HG3 ARG 33 HG3 ARG 33 -4.631 7.251 3.147 260 HD2 ARG 33 HD2 ARG 33 -2.843 7.386 4.836 261 HD3 ARG 33 HD3 ARG 33 -1.893 8.427 3.747 262 HE ARG 33 HE ARG 33 -4.314 9.665 3.838 263 HH11 ARG 33 2HH2 ARG 33 -2.113 8.578 6.402 264 HH12 ARG 33 1HH2 ARG 33 -2.745 9.640 7.621 265 HH21 ARG 33 2HH1 ARG 33 -5.242 10.994 5.473 266 HH22 ARG 33 1HH1 ARG 33 -4.678 10.924 7.104 267 HA PRO 34 HA PRO 34 -7.299 3.700 1.467 268 HB2 PRO 34 HB2 PRO 34 -7.386 1.378 2.891 269 HB3 PRO 34 HB3 PRO 34 -6.865 1.582 1.217 270 HG2 PRO 34 HG2 PRO 34 -5.200 0.953 3.522 271 HG3 PRO 34 HG3 PRO 34 -4.899 0.718 1.800 272 HD2 PRO 34 HD2 PRO 34 -3.942 2.887 3.486 273 HD3 PRO 34 HD3 PRO 34 -3.608 2.621 1.776 274 H SER 35 HN SER 35 -8.456 5.275 2.627 275 HA SER 35 HA SER 35 -8.659 5.229 5.535 276 HB2 SER 35 HB2 SER 35 -11.012 6.263 4.753 277 HB3 SER 35 HB3 SER 35 -9.515 7.187 4.861 278 HG SER 35 HG SER 35 -10.687 6.106 2.507 279 H GLY 36 HN GLY 36 -10.020 3.415 2.767 280 HA2 GLY 36 HA1 GLY 36 -10.693 1.118 3.291 281 HA3 GLY 36 HA2 GLY 36 -11.687 1.786 4.611 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -10.237 5.509 2.452 2 H2 GLY 1 H2 GLY 1 -9.323 4.873 1.234 3 H3 GLY 1 H3 GLY 1 -10.167 6.273 0.997 4 HA2 GLY 1 HA1 GLY 1 -11.332 3.621 1.473 5 HA3 GLY 1 HA2 GLY 1 -12.239 5.135 1.287 6 H SER 2 HN SER 2 -11.773 6.388 -0.832 7 HA SER 2 HA SER 2 -12.106 4.542 -3.053 8 HB2 SER 2 HB2 SER 2 -11.592 7.538 -2.986 9 HB3 SER 2 HB3 SER 2 -12.119 6.600 -4.401 10 HG SER 2 HG SER 2 -13.670 6.236 -2.101 11 H LYS 3 HN LYS 3 -10.727 4.489 -4.909 12 HA LYS 3 HA LYS 3 -8.932 3.703 -5.903 13 HB2 LYS 3 HB2 LYS 3 -7.540 5.881 -4.399 14 HB3 LYS 3 HB3 LYS 3 -6.549 4.607 -5.073 15 HG2 LYS 3 HG2 LYS 3 -8.547 6.055 -6.838 16 HG3 LYS 3 HG3 LYS 3 -6.993 6.769 -6.424 17 HD2 LYS 3 HD2 LYS 3 -6.695 5.767 -8.523 18 HD3 LYS 3 HD3 LYS 3 -5.807 4.785 -7.358 19 HE2 LYS 3 HE2 LYS 3 -7.673 3.160 -7.325 20 HE3 LYS 3 HE3 LYS 3 -8.583 4.158 -8.470 21 HZ1 LYS 3 HZ1 LYS 3 -7.281 2.183 -9.326 22 HZ2 LYS 3 HZ2 LYS 3 -7.123 3.580 -10.175 23 HZ3 LYS 3 HZ3 LYS 3 -5.932 3.044 -9.148 24 H LEU 4 HN LEU 4 -8.025 4.050 -2.453 25 HA LEU 4 HA LEU 4 -6.965 1.304 -2.551 26 HB2 LEU 4 HB2 LEU 4 -5.749 3.761 -1.679 27 HB3 LEU 4 HB3 LEU 4 -5.882 2.668 -0.336 28 HG LEU 4 HG LEU 4 -4.831 0.863 -1.639 29 HD11 LEU 4 1HD1 LEU 4 -3.687 1.417 -3.788 30 HD12 LEU 4 2HD1 LEU 4 -5.413 1.583 -3.935 31 HD13 LEU 4 3HD1 LEU 4 -4.415 3.034 -3.742 32 HD21 LEU 4 3HD2 LEU 4 -3.180 2.285 -0.366 33 HD22 LEU 4 1HD2 LEU 4 -2.541 1.595 -1.839 34 HD23 LEU 4 2HD2 LEU 4 -3.012 3.274 -1.841 35 HA PRO 5 HA PRO 5 -10.643 0.648 0.104 36 HB2 PRO 5 HB2 PRO 5 -10.585 -2.140 -0.160 37 HB3 PRO 5 HB3 PRO 5 -11.270 -1.005 -1.365 38 HG2 PRO 5 HG2 PRO 5 -8.689 -2.482 -1.347 39 HG3 PRO 5 HG3 PRO 5 -9.718 -2.058 -2.738 40 HD2 PRO 5 HD2 PRO 5 -7.418 -0.613 -1.981 41 HD3 PRO 5 HD3 PRO 5 -8.742 0.041 -2.953 42 HA PRO 6 HA PRO 6 -8.864 -1.305 3.903 43 HB2 PRO 6 HB2 PRO 6 -10.632 -3.330 4.581 44 HB3 PRO 6 HB3 PRO 6 -10.898 -1.619 4.972 45 HG2 PRO 6 HG2 PRO 6 -11.995 -3.189 2.630 46 HG3 PRO 6 HG3 PRO 6 -12.874 -2.067 3.717 47 HD2 PRO 6 HD2 PRO 6 -11.991 -1.307 1.272 48 HD3 PRO 6 HD3 PRO 6 -11.950 -0.179 2.644 49 H GLY 7 HN GLY 7 -7.907 -3.495 4.519 50 HA2 GLY 7 HA1 GLY 7 -7.229 -5.677 4.005 51 HA3 GLY 7 HA2 GLY 7 -7.855 -5.520 2.378 52 H TRP 8 HN TRP 8 -5.460 -3.318 4.026 53 HA TRP 8 HA TRP 8 -3.532 -4.050 1.919 54 HB2 TRP 8 HB2 TRP 8 -4.469 -1.352 2.875 55 HB3 TRP 8 HB3 TRP 8 -2.961 -1.558 2.024 56 HD1 TRP 8 HD1 TRP 8 -6.702 -2.552 1.289 57 HE1 TRP 8 HE1 TRP 8 -7.058 -2.497 -1.133 58 HE3 TRP 8 HE3 TRP 8 -2.075 -0.953 -0.189 59 HZ2 TRP 8 HZ2 TRP 8 -5.637 -1.666 -3.539 60 HZ3 TRP 8 HZ3 TRP 8 -1.577 -0.698 -2.647 61 HH2 TRP 8 HH2 TRP 8 -3.342 -1.072 -4.309 62 H GLU 9 HN GLU 9 -1.603 -4.421 2.440 63 HA GLU 9 HA GLU 9 -0.482 -4.130 5.132 64 HB2 GLU 9 HB2 GLU 9 0.442 -5.150 2.451 65 HB3 GLU 9 HB3 GLU 9 1.630 -4.775 3.676 66 HG2 GLU 9 HG2 GLU 9 -0.699 -6.621 4.302 67 HG3 GLU 9 HG3 GLU 9 0.755 -7.195 3.481 68 H LYS 10 HN LYS 10 0.748 -2.442 5.732 69 HA LYS 10 HA LYS 10 1.407 -0.312 3.744 70 HB2 LYS 10 HB2 LYS 10 1.793 -0.194 6.757 71 HB3 LYS 10 HB3 LYS 10 1.771 1.143 5.606 72 HG2 LYS 10 HG2 LYS 10 -0.553 -0.574 6.524 73 HG3 LYS 10 HG3 LYS 10 -0.302 1.127 6.878 74 HD2 LYS 10 HD2 LYS 10 -0.686 1.743 4.571 75 HD3 LYS 10 HD3 LYS 10 -0.822 0.052 4.071 76 HE2 LYS 10 HE2 LYS 10 -2.770 1.759 5.566 77 HE3 LYS 10 HE3 LYS 10 -2.997 0.770 4.129 78 HZ1 LYS 10 HZ1 LYS 10 -2.683 -0.196 6.896 79 HZ2 LYS 10 HZ2 LYS 10 -4.039 -0.209 6.018 80 HZ3 LYS 10 HZ3 LYS 10 -2.793 -1.212 5.590 81 H ARG 11 HN ARG 11 2.858 -1.727 2.650 82 HA ARG 11 HA ARG 11 5.010 -2.955 4.276 83 HB2 ARG 11 HB2 ARG 11 3.565 -4.251 2.621 84 HB3 ARG 11 HB3 ARG 11 4.419 -3.401 1.321 85 HG2 ARG 11 HG2 ARG 11 6.488 -4.435 1.917 86 HG3 ARG 11 HG3 ARG 11 5.878 -4.956 3.493 87 HD2 ARG 11 HD2 ARG 11 4.373 -6.573 2.440 88 HD3 ARG 11 HD3 ARG 11 4.882 -6.045 0.830 89 HE ARG 11 HE ARG 11 6.321 -7.737 2.734 90 HH11 ARG 11 2HH2 ARG 11 6.513 -6.104 -0.392 91 HH12 ARG 11 1HH2 ARG 11 8.232 -6.061 -0.476 92 HH21 ARG 11 2HH1 ARG 11 8.678 -7.919 2.546 93 HH22 ARG 11 1HH1 ARG 11 9.462 -7.330 1.114 94 H MET 12 HN MET 12 7.236 -2.881 3.197 95 HA MET 12 HA MET 12 7.690 -0.070 2.330 96 HB2 MET 12 HB2 MET 12 9.573 -1.982 3.715 97 HB3 MET 12 HB3 MET 12 10.041 -0.418 3.009 98 HG2 MET 12 HG2 MET 12 8.410 0.752 4.389 99 HG3 MET 12 HG3 MET 12 7.908 -0.756 5.135 100 HE1 MET 12 HE1 MET 12 11.072 1.599 4.590 101 HE2 MET 12 HE2 MET 12 12.137 1.066 5.896 102 HE3 MET 12 HE3 MET 12 11.849 0.002 4.508 103 H SER 13 HN SER 13 9.034 0.417 0.604 104 HA SER 13 HA SER 13 8.596 -1.445 -1.536 105 HB2 SER 13 HB2 SER 13 8.422 1.242 -1.335 106 HB3 SER 13 HB3 SER 13 10.054 1.134 -2.009 107 HG SER 13 HG SER 13 7.620 0.103 -3.082 108 H ARG 14 HN ARG 14 10.903 -1.874 0.400 109 HA ARG 14 HA ARG 14 13.120 -2.455 0.465 110 HB2 ARG 14 HB2 ARG 14 11.846 -4.271 -0.983 111 HB3 ARG 14 HB3 ARG 14 12.908 -3.671 -2.257 112 HG2 ARG 14 HG2 ARG 14 14.840 -4.071 -0.571 113 HG3 ARG 14 HG3 ARG 14 13.646 -4.905 0.438 114 HD2 ARG 14 HD2 ARG 14 13.226 -6.530 -1.311 115 HD3 ARG 14 HD3 ARG 14 14.197 -5.588 -2.465 116 HE ARG 14 HE ARG 14 15.666 -6.407 -0.094 117 HH11 ARG 14 2HH2 ARG 14 14.559 -7.391 -3.299 118 HH12 ARG 14 1HH2 ARG 14 15.753 -8.596 -3.581 119 HH21 ARG 14 2HH1 ARG 14 17.467 -7.844 -0.511 120 HH22 ARG 14 1HH1 ARG 14 17.572 -8.743 -2.001 121 H SER 15 HN SER 15 12.527 0.234 -1.100 122 HA SER 15 HA SER 15 15.031 0.694 -2.059 123 HB2 SER 15 HB2 SER 15 14.169 1.323 -4.397 124 HB3 SER 15 HB3 SER 15 14.205 -0.407 -4.069 125 HG SER 15 HG SER 15 11.978 -0.340 -3.633 126 H SER 16 HN SER 16 15.420 2.813 -1.797 127 HA SER 16 HA SER 16 15.440 4.652 -0.716 128 HB2 SER 16 HB2 SER 16 14.181 6.363 -1.493 129 HB3 SER 16 HB3 SER 16 14.113 5.193 -2.805 130 HG SER 16 HG SER 16 12.168 5.970 -0.929 131 H GLY 17 HN GLY 17 12.451 2.938 0.094 132 HA2 GLY 17 HA1 GLY 17 12.321 2.310 2.477 133 HA3 GLY 17 HA2 GLY 17 12.652 4.011 2.868 134 H ARG 18 HN ARG 18 10.594 4.191 0.324 135 HA ARG 18 HA ARG 18 8.400 5.174 1.825 136 HB2 ARG 18 HB2 ARG 18 8.493 3.792 -0.873 137 HB3 ARG 18 HB3 ARG 18 7.040 4.523 -0.290 138 HG2 ARG 18 HG2 ARG 18 7.833 6.738 -0.380 139 HG3 ARG 18 HG3 ARG 18 9.515 6.260 -0.328 140 HD2 ARG 18 HD2 ARG 18 7.716 5.884 -2.743 141 HD3 ARG 18 HD3 ARG 18 8.872 7.197 -2.484 142 HE ARG 18 HE ARG 18 10.378 4.909 -2.153 143 HH11 ARG 18 2HH2 ARG 18 8.876 6.780 -4.758 144 HH12 ARG 18 1HH2 ARG 18 9.824 6.040 -5.998 145 HH21 ARG 18 2HH1 ARG 18 11.697 4.037 -3.716 146 HH22 ARG 18 1HH1 ARG 18 11.574 4.557 -5.373 147 H VAL 19 HN VAL 19 6.306 4.460 2.036 148 HA VAL 19 HA VAL 19 6.097 1.608 2.666 149 HB VAL 19 HB VAL 19 6.129 3.178 4.537 150 HG11 VAL 19 1HG1 VAL 19 4.199 4.475 5.198 151 HG12 VAL 19 2HG1 VAL 19 4.865 5.088 3.675 152 HG13 VAL 19 3HG1 VAL 19 3.369 4.127 3.690 153 HG21 VAL 19 3HG2 VAL 19 3.590 1.551 4.156 154 HG22 VAL 19 1HG2 VAL 19 5.161 0.957 4.747 155 HG23 VAL 19 2HG2 VAL 19 4.228 2.095 5.729 156 H TYR 20 HN TYR 20 5.970 1.847 0.187 157 HA TYR 20 HA TYR 20 3.541 2.804 -1.021 158 HB2 TYR 20 HB2 TYR 20 4.209 1.881 -2.999 159 HB3 TYR 20 HB3 TYR 20 5.720 2.338 -2.224 160 HD1 TYR 20 HD1 TYR 20 5.895 -0.044 -0.395 161 HD2 TYR 20 HD2 TYR 20 5.221 0.324 -4.593 162 HE1 TYR 20 HE1 TYR 20 6.379 -2.485 -0.659 163 HE2 TYR 20 HE2 TYR 20 5.924 -2.036 -4.916 164 HH TYR 20 HH TYR 20 7.113 -3.871 -3.713 165 H TYR 21 HN TYR 21 1.578 1.999 -0.754 166 HA TYR 21 HA TYR 21 1.191 -0.151 1.174 167 HB2 TYR 21 HB2 TYR 21 -0.822 1.243 -0.619 168 HB3 TYR 21 HB3 TYR 21 -1.140 0.477 0.948 169 HD1 TYR 21 HD1 TYR 21 0.747 1.431 2.741 170 HD2 TYR 21 HD2 TYR 21 -0.894 3.625 -0.559 171 HE1 TYR 21 HE1 TYR 21 1.136 3.450 3.897 172 HE2 TYR 21 HE2 TYR 21 -0.576 5.753 0.693 173 HH TYR 21 HH TYR 21 0.904 6.619 2.709 174 H PHE 22 HN PHE 22 0.725 -2.354 0.617 175 HA PHE 22 HA PHE 22 0.994 -2.924 -2.304 176 HB2 PHE 22 HB2 PHE 22 2.964 -3.657 -1.820 177 HB3 PHE 22 HB3 PHE 22 2.688 -3.622 -0.106 178 HD1 PHE 22 HD1 PHE 22 2.479 -5.752 -3.156 179 HD2 PHE 22 HD2 PHE 22 2.086 -5.620 1.137 180 HE1 PHE 22 HE1 PHE 22 2.455 -8.231 -3.069 181 HE2 PHE 22 HE2 PHE 22 1.993 -8.093 1.214 182 HZ PHE 22 HZ PHE 22 2.149 -9.401 -0.888 183 H ASN 23 HN ASN 23 -1.457 -2.860 -0.458 184 HA ASN 23 HA ASN 23 -3.372 -4.095 -0.011 185 HB2 ASN 23 HB2 ASN 23 -3.187 -3.997 -2.572 186 HB3 ASN 23 HB3 ASN 23 -2.747 -5.686 -2.476 187 HD21 ASN 23 1HD2 ASN 23 -5.288 -3.831 -3.256 188 HD22 ASN 23 2HD2 ASN 23 -6.573 -4.891 -2.742 189 H HIS 24 HN HIS 24 -4.043 -6.815 0.169 190 HA HIS 24 HA HIS 24 -1.762 -8.469 0.196 191 HB2 HIS 24 HB2 HIS 24 -2.509 -9.509 2.167 192 HB3 HIS 24 HB3 HIS 24 -1.711 -7.982 2.517 193 HD1 HIS 24 HD1 HIS 24 -3.128 -6.399 4.158 194 HD2 HIS 24 HD2 HIS 24 -5.190 -9.715 2.570 195 HE1 HIS 24 HE1 HIS 24 -5.437 -6.357 5.162 196 H ILE 25 HN ILE 25 -5.252 -7.800 0.233 197 HA ILE 25 HA ILE 25 -6.303 -10.346 -0.360 198 HB ILE 25 HB ILE 25 -7.263 -7.612 -1.298 199 HG12 ILE 25 2HG1 ILE 25 -6.908 -7.497 1.121 200 HG13 ILE 25 3HG1 ILE 25 -8.593 -7.423 0.701 201 HG21 ILE 25 1HG2 ILE 25 -9.491 -8.658 -1.287 202 HG22 ILE 25 2HG2 ILE 25 -8.395 -9.460 -2.416 203 HG23 ILE 25 3HG2 ILE 25 -8.750 -10.218 -0.861 204 HD11 ILE 25 3HD1 ILE 25 -7.229 -9.961 1.690 205 HD12 ILE 25 1HD1 ILE 25 -8.126 -8.810 2.699 206 HD13 ILE 25 2HD1 ILE 25 -8.967 -9.702 1.419 207 H THR 26 HN THR 26 -5.412 -7.613 -2.552 208 HA THR 26 HA THR 26 -5.256 -9.582 -4.758 209 HB THR 26 HB THR 26 -6.018 -8.063 -6.245 210 HG1 THR 26 HG1 THR 26 -5.827 -6.097 -6.245 211 HG21 THR 26 1HG2 THR 26 -8.097 -7.106 -5.338 212 HG22 THR 26 2HG2 THR 26 -7.827 -8.732 -4.691 213 HG23 THR 26 3HG2 THR 26 -7.515 -7.290 -3.690 214 H ASN 27 HN ASN 27 -3.181 -8.096 -2.781 215 HA ASN 27 HA ASN 27 -0.946 -7.472 -2.789 216 HB2 ASN 27 HB2 ASN 27 -0.975 -9.817 -4.672 217 HB3 ASN 27 HB3 ASN 27 0.453 -9.215 -3.832 218 HD21 ASN 27 1HD2 ASN 27 0.220 -9.156 -1.300 219 HD22 ASN 27 2HD2 ASN 27 -0.717 -10.488 -0.621 220 H ALA 28 HN ALA 28 -1.270 -5.349 -3.852 221 HA ALA 28 HA ALA 28 -0.081 -5.043 -6.505 222 HB1 ALA 28 HB1 ALA 28 -2.884 -4.025 -5.807 223 HB2 ALA 28 HB2 ALA 28 -1.992 -3.729 -7.317 224 HB3 ALA 28 HB3 ALA 28 -2.557 -5.364 -6.915 225 H SER 29 HN SER 29 1.186 -3.098 -6.410 226 HA SER 29 HA SER 29 0.907 -1.763 -3.836 227 HB2 SER 29 HB2 SER 29 3.454 -1.242 -5.121 228 HB3 SER 29 HB3 SER 29 3.061 -1.811 -3.517 229 HG SER 29 HG SER 29 3.192 -3.376 -5.900 230 H GLN 30 HN GLN 30 1.251 0.526 -3.448 231 HA GLN 30 HA GLN 30 0.919 2.439 -5.545 232 HB2 GLN 30 HB2 GLN 30 -1.521 1.001 -4.789 233 HB3 GLN 30 HB3 GLN 30 -1.711 2.631 -4.340 234 HG2 GLN 30 HG2 GLN 30 -1.249 3.474 -6.545 235 HG3 GLN 30 HG3 GLN 30 -0.704 1.889 -7.105 236 HE21 GLN 30 1HE2 GLN 30 -3.594 3.700 -5.994 237 HE22 GLN 30 2HE2 GLN 30 -4.744 2.462 -6.569 238 H TRP 31 HN TRP 31 -0.644 4.321 -4.415 239 HA TRP 31 HA TRP 31 1.137 5.238 -2.232 240 HB2 TRP 31 HB2 TRP 31 0.162 6.653 -4.737 241 HB3 TRP 31 HB3 TRP 31 1.369 7.217 -3.601 242 HD1 TRP 31 HD1 TRP 31 1.015 5.484 -6.825 243 HE1 TRP 31 HE1 TRP 31 3.114 4.210 -7.535 244 HE3 TRP 31 HE3 TRP 31 3.573 5.601 -2.409 245 HZ2 TRP 31 HZ2 TRP 31 5.743 3.630 -6.421 246 HZ3 TRP 31 HZ3 TRP 31 5.873 4.746 -2.264 247 HH2 TRP 31 HH2 TRP 31 6.994 3.769 -4.283 248 H GLU 32 HN GLU 32 -2.172 5.180 -3.433 249 HA GLU 32 HA GLU 32 -3.023 7.631 -2.069 250 HB2 GLU 32 HB2 GLU 32 -4.619 5.215 -3.048 251 HB3 GLU 32 HB3 GLU 32 -5.334 6.647 -2.318 252 HG2 GLU 32 HG2 GLU 32 -5.523 7.036 -4.611 253 HG3 GLU 32 HG3 GLU 32 -4.203 8.053 -4.073 254 H ARG 33 HN ARG 33 -4.593 7.608 -0.083 255 HA ARG 33 HA ARG 33 -3.465 5.681 1.850 256 HB2 ARG 33 HB2 ARG 33 -3.854 8.146 2.394 257 HB3 ARG 33 HB3 ARG 33 -5.586 7.818 2.336 258 HG2 ARG 33 HG2 ARG 33 -4.878 7.738 4.607 259 HG3 ARG 33 HG3 ARG 33 -5.230 6.072 4.141 260 HD2 ARG 33 HD2 ARG 33 -2.760 5.713 3.747 261 HD3 ARG 33 HD3 ARG 33 -2.463 7.377 4.286 262 HE ARG 33 HE ARG 33 -3.831 6.390 6.367 263 HH11 ARG 33 2HH2 ARG 33 -0.904 5.254 4.677 264 HH12 ARG 33 1HH2 ARG 33 -0.323 4.341 6.030 265 HH21 ARG 33 2HH1 ARG 33 -2.974 5.299 8.184 266 HH22 ARG 33 1HH1 ARG 33 -1.441 4.510 8.102 267 HA PRO 34 HA PRO 34 -7.287 3.401 1.397 268 HB2 PRO 34 HB2 PRO 34 -6.530 1.152 3.026 269 HB3 PRO 34 HB3 PRO 34 -6.654 1.312 1.260 270 HG2 PRO 34 HG2 PRO 34 -4.249 1.070 2.703 271 HG3 PRO 34 HG3 PRO 34 -4.512 1.296 0.979 272 HD2 PRO 34 HD2 PRO 34 -3.760 3.279 3.031 273 HD3 PRO 34 HD3 PRO 34 -3.575 3.384 1.269 274 H SER 35 HN SER 35 -6.367 2.404 4.679 275 HA SER 35 HA SER 35 -7.527 2.586 6.570 276 HB2 SER 35 HB2 SER 35 -7.728 5.513 5.810 277 HB3 SER 35 HB3 SER 35 -7.884 4.830 7.436 278 HG SER 35 HG SER 35 -5.788 5.672 6.893 279 H GLY 36 HN GLY 36 -9.175 1.875 4.189 280 HA2 GLY 36 HA1 GLY 36 -11.880 2.778 4.957 281 HA3 GLY 36 HA2 GLY 36 -11.455 1.563 3.743 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -11.100 11.996 2.628 2 H2 GLY 1 H2 GLY 1 -12.536 12.260 1.886 3 H3 GLY 1 H3 GLY 1 -12.491 11.450 3.327 4 HA2 GLY 1 HA1 GLY 1 -11.261 9.656 2.320 5 HA3 GLY 1 HA2 GLY 1 -12.855 9.903 1.582 6 H SER 2 HN SER 2 -10.928 8.571 0.123 7 HA SER 2 HA SER 2 -10.610 10.414 -2.141 8 HB2 SER 2 HB2 SER 2 -8.259 9.367 -2.507 9 HB3 SER 2 HB3 SER 2 -8.448 10.719 -1.390 10 HG SER 2 HG SER 2 -7.659 8.137 -0.855 11 H LYS 3 HN LYS 3 -9.357 7.138 -1.527 12 HA LYS 3 HA LYS 3 -11.431 5.621 -2.464 13 HB2 LYS 3 HB2 LYS 3 -10.507 6.865 -4.714 14 HB3 LYS 3 HB3 LYS 3 -9.278 5.631 -4.600 15 HG2 LYS 3 HG2 LYS 3 -11.268 3.931 -4.436 16 HG3 LYS 3 HG3 LYS 3 -12.286 5.322 -4.814 17 HD2 LYS 3 HD2 LYS 3 -10.662 5.622 -6.885 18 HD3 LYS 3 HD3 LYS 3 -10.164 3.973 -6.525 19 HE2 LYS 3 HE2 LYS 3 -11.879 3.910 -8.214 20 HE3 LYS 3 HE3 LYS 3 -12.575 3.243 -6.729 21 HZ1 LYS 3 HZ1 LYS 3 -13.979 4.935 -7.962 22 HZ2 LYS 3 HZ2 LYS 3 -13.735 5.283 -6.383 23 HZ3 LYS 3 HZ3 LYS 3 -12.870 6.068 -7.531 24 H LEU 4 HN LEU 4 -9.618 3.647 -3.621 25 HA LEU 4 HA LEU 4 -8.273 2.028 -3.175 26 HB2 LEU 4 HB2 LEU 4 -6.742 4.018 -2.697 27 HB3 LEU 4 HB3 LEU 4 -6.842 3.570 -1.012 28 HG LEU 4 HG LEU 4 -6.110 1.401 -3.020 29 HD11 LEU 4 1HD1 LEU 4 -3.768 2.044 -3.027 30 HD12 LEU 4 2HD1 LEU 4 -4.738 3.348 -3.749 31 HD13 LEU 4 3HD1 LEU 4 -4.126 3.505 -2.087 32 HD21 LEU 4 3HD2 LEU 4 -4.427 0.921 -1.178 33 HD22 LEU 4 1HD2 LEU 4 -5.107 2.276 -0.314 34 HD23 LEU 4 2HD2 LEU 4 -6.122 0.848 -0.631 35 HA PRO 5 HA PRO 5 -11.029 0.235 -0.218 36 HB2 PRO 5 HB2 PRO 5 -10.282 -2.434 -0.432 37 HB3 PRO 5 HB3 PRO 5 -11.203 -1.541 -1.686 38 HG2 PRO 5 HG2 PRO 5 -8.339 -2.354 -1.604 39 HG3 PRO 5 HG3 PRO 5 -9.404 -2.153 -3.016 40 HD2 PRO 5 HD2 PRO 5 -7.489 -0.284 -2.129 41 HD3 PRO 5 HD3 PRO 5 -8.811 0.013 -3.272 42 HA PRO 6 HA PRO 6 -8.740 -0.852 3.532 43 HB2 PRO 6 HB2 PRO 6 -10.364 -2.563 4.901 44 HB3 PRO 6 HB3 PRO 6 -10.825 -0.853 4.633 45 HG2 PRO 6 HG2 PRO 6 -11.686 -3.293 3.043 46 HG3 PRO 6 HG3 PRO 6 -12.715 -1.972 3.673 47 HD2 PRO 6 HD2 PRO 6 -11.734 -2.090 1.106 48 HD3 PRO 6 HD3 PRO 6 -12.130 -0.562 1.914 49 H GLY 7 HN GLY 7 -7.943 -3.079 4.690 50 HA2 GLY 7 HA1 GLY 7 -7.559 -5.527 4.312 51 HA3 GLY 7 HA2 GLY 7 -7.510 -5.184 2.599 52 H TRP 8 HN TRP 8 -5.852 -2.597 3.450 53 HA TRP 8 HA TRP 8 -3.606 -3.988 2.331 54 HB2 TRP 8 HB2 TRP 8 -4.189 -1.084 3.056 55 HB3 TRP 8 HB3 TRP 8 -2.719 -1.621 2.266 56 HD1 TRP 8 HD1 TRP 8 -6.619 -2.042 1.393 57 HE1 TRP 8 HE1 TRP 8 -6.875 -1.806 -1.027 58 HE3 TRP 8 HE3 TRP 8 -1.853 -0.990 0.211 59 HZ2 TRP 8 HZ2 TRP 8 -5.197 -1.469 -3.370 60 HZ3 TRP 8 HZ3 TRP 8 -1.132 -0.810 -2.257 61 HH2 TRP 8 HH2 TRP 8 -2.828 -1.101 -4.014 62 H GLU 9 HN GLU 9 -1.544 -4.157 3.105 63 HA GLU 9 HA GLU 9 -1.015 -3.851 6.029 64 HB2 GLU 9 HB2 GLU 9 0.009 -5.846 3.945 65 HB3 GLU 9 HB3 GLU 9 0.925 -5.448 5.390 66 HG2 GLU 9 HG2 GLU 9 -1.484 -5.965 6.569 67 HG3 GLU 9 HG3 GLU 9 -1.624 -7.009 5.150 68 H LYS 10 HN LYS 10 -0.443 -1.632 5.818 69 HA LYS 10 HA LYS 10 0.960 -0.721 3.519 70 HB2 LYS 10 HB2 LYS 10 0.718 0.637 6.245 71 HB3 LYS 10 HB3 LYS 10 1.288 1.405 4.756 72 HG2 LYS 10 HG2 LYS 10 -0.947 0.649 3.697 73 HG3 LYS 10 HG3 LYS 10 -1.464 0.273 5.337 74 HD2 LYS 10 HD2 LYS 10 -0.897 2.741 5.901 75 HD3 LYS 10 HD3 LYS 10 -0.754 2.960 4.145 76 HE2 LYS 10 HE2 LYS 10 -2.955 3.622 4.672 77 HE3 LYS 10 HE3 LYS 10 -3.056 2.027 3.902 78 HZ1 LYS 10 HZ1 LYS 10 -4.523 2.093 5.747 79 HZ2 LYS 10 HZ2 LYS 10 -3.331 1.078 6.144 80 HZ3 LYS 10 HZ3 LYS 10 -3.393 2.603 6.787 81 H ARG 11 HN ARG 11 3.128 -0.764 3.002 82 HA ARG 11 HA ARG 11 5.096 -1.580 5.054 83 HB2 ARG 11 HB2 ARG 11 4.131 -3.113 2.618 84 HB3 ARG 11 HB3 ARG 11 5.817 -3.238 3.126 85 HG2 ARG 11 HG2 ARG 11 5.181 -3.990 5.345 86 HG3 ARG 11 HG3 ARG 11 3.456 -3.838 4.968 87 HD2 ARG 11 HD2 ARG 11 3.422 -5.701 3.632 88 HD3 ARG 11 HD3 ARG 11 5.047 -5.413 3.030 89 HE ARG 11 HE ARG 11 4.309 -6.731 5.581 90 HH11 ARG 11 2HH2 ARG 11 6.699 -6.415 2.985 91 HH12 ARG 11 1HH2 ARG 11 8.021 -7.064 3.930 92 HH21 ARG 11 2HH1 ARG 11 5.949 -7.917 6.662 93 HH22 ARG 11 1HH1 ARG 11 7.471 -8.212 5.897 94 H MET 12 HN MET 12 7.264 -1.418 4.262 95 HA MET 12 HA MET 12 7.618 0.933 2.568 96 HB2 MET 12 HB2 MET 12 9.405 -0.683 4.385 97 HB3 MET 12 HB3 MET 12 10.086 0.487 3.258 98 HG2 MET 12 HG2 MET 12 9.439 2.266 4.414 99 HG3 MET 12 HG3 MET 12 7.872 1.609 4.863 100 HE1 MET 12 HE1 MET 12 7.269 1.056 7.284 101 HE2 MET 12 HE2 MET 12 7.723 -0.481 6.524 102 HE3 MET 12 HE3 MET 12 8.284 -0.108 8.167 103 H SER 13 HN SER 13 9.105 0.898 0.774 104 HA SER 13 HA SER 13 9.012 -1.431 -0.907 105 HB2 SER 13 HB2 SER 13 10.472 1.256 -0.995 106 HB3 SER 13 HB3 SER 13 10.326 0.121 -2.344 107 HG SER 13 HG SER 13 7.962 0.361 -1.917 108 H ARG 14 HN ARG 14 10.856 -2.462 -1.760 109 HA ARG 14 HA ARG 14 13.243 -2.824 -0.134 110 HB2 ARG 14 HB2 ARG 14 12.460 -4.733 -1.501 111 HB3 ARG 14 HB3 ARG 14 12.367 -3.704 -2.940 112 HG2 ARG 14 HG2 ARG 14 14.859 -3.342 -2.782 113 HG3 ARG 14 HG3 ARG 14 14.910 -4.509 -1.456 114 HD2 ARG 14 HD2 ARG 14 13.657 -5.229 -4.130 115 HD3 ARG 14 HD3 ARG 14 15.404 -5.188 -3.980 116 HE ARG 14 HE ARG 14 13.587 -7.196 -2.889 117 HH11 ARG 14 2HH2 ARG 14 16.746 -5.684 -2.256 118 HH12 ARG 14 1HH2 ARG 14 17.535 -7.206 -1.955 119 HH21 ARG 14 2HH1 ARG 14 14.790 -9.228 -2.695 120 HH22 ARG 14 1HH1 ARG 14 16.416 -9.144 -2.103 121 H SER 15 HN SER 15 14.308 -1.128 -0.062 122 HA SER 15 HA SER 15 15.681 0.660 -0.456 123 HB2 SER 15 HB2 SER 15 16.566 1.237 -2.594 124 HB3 SER 15 HB3 SER 15 16.604 -0.506 -2.348 125 HG SER 15 HG SER 15 14.411 -0.276 -3.564 126 H SER 16 HN SER 16 15.548 2.926 -1.848 127 HA SER 16 HA SER 16 14.890 4.871 -1.604 128 HB2 SER 16 HB2 SER 16 13.020 5.595 -2.723 129 HB3 SER 16 HB3 SER 16 13.571 4.152 -3.563 130 HG SER 16 HG SER 16 11.414 4.000 -3.393 131 H GLY 17 HN GLY 17 13.086 2.704 0.466 132 HA2 GLY 17 HA1 GLY 17 12.172 3.088 2.541 133 HA3 GLY 17 HA2 GLY 17 12.951 4.681 2.582 134 H ARG 18 HN ARG 18 10.887 3.887 -0.180 135 HA ARG 18 HA ARG 18 8.706 5.673 0.748 136 HB2 ARG 18 HB2 ARG 18 9.105 3.704 -1.559 137 HB3 ARG 18 HB3 ARG 18 7.527 4.260 -1.202 138 HG2 ARG 18 HG2 ARG 18 9.792 6.220 -1.791 139 HG3 ARG 18 HG3 ARG 18 8.706 5.569 -3.034 140 HD2 ARG 18 HD2 ARG 18 6.736 6.490 -1.873 141 HD3 ARG 18 HD3 ARG 18 7.756 7.069 -0.556 142 HE ARG 18 HE ARG 18 8.670 8.133 -3.047 143 HH11 ARG 18 2HH2 ARG 18 6.014 8.579 -0.625 144 HH12 ARG 18 1HH2 ARG 18 5.707 10.185 -1.142 145 HH21 ARG 18 2HH1 ARG 18 8.443 10.422 -3.327 146 HH22 ARG 18 1HH1 ARG 18 7.148 11.265 -2.569 147 H VAL 19 HN VAL 19 6.641 4.945 0.889 148 HA VAL 19 HA VAL 19 6.192 2.247 1.902 149 HB VAL 19 HB VAL 19 5.754 4.458 3.275 150 HG11 VAL 19 1HG1 VAL 19 3.241 4.411 1.554 151 HG12 VAL 19 2HG1 VAL 19 3.441 5.341 3.043 152 HG13 VAL 19 3HG1 VAL 19 4.454 5.685 1.642 153 HG21 VAL 19 3HG2 VAL 19 3.758 2.169 3.049 154 HG22 VAL 19 1HG2 VAL 19 5.193 2.247 4.087 155 HG23 VAL 19 2HG2 VAL 19 3.826 3.316 4.407 156 H TYR 20 HN TYR 20 5.017 1.084 0.434 157 HA TYR 20 HA TYR 20 3.741 2.382 -1.873 158 HB2 TYR 20 HB2 TYR 20 4.944 1.386 -3.554 159 HB3 TYR 20 HB3 TYR 20 6.199 1.960 -2.469 160 HD1 TYR 20 HD1 TYR 20 6.336 -0.056 -0.422 161 HD2 TYR 20 HD2 TYR 20 5.620 -0.628 -4.598 162 HE1 TYR 20 HE1 TYR 20 6.626 -2.509 -0.140 163 HE2 TYR 20 HE2 TYR 20 5.874 -3.107 -4.286 164 HH TYR 20 HH TYR 20 6.108 -4.805 -2.810 165 H TYR 21 HN TYR 21 2.973 0.817 0.417 166 HA TYR 21 HA TYR 21 2.403 -1.335 1.341 167 HB2 TYR 21 HB2 TYR 21 0.275 -0.680 -0.638 168 HB3 TYR 21 HB3 TYR 21 0.069 -1.234 1.026 169 HD1 TYR 21 HD1 TYR 21 1.846 0.863 2.406 170 HD2 TYR 21 HD2 TYR 21 -0.867 1.241 -0.932 171 HE1 TYR 21 HE1 TYR 21 1.676 3.256 2.782 172 HE2 TYR 21 HE2 TYR 21 -0.974 3.613 -0.566 173 HH TYR 21 HH TYR 21 0.017 5.468 0.575 174 H PHE 22 HN PHE 22 0.478 -3.145 0.087 175 HA PHE 22 HA PHE 22 1.400 -4.176 -2.396 176 HB2 PHE 22 HB2 PHE 22 3.147 -5.167 -1.331 177 HB3 PHE 22 HB3 PHE 22 2.389 -5.217 0.230 178 HD1 PHE 22 HD1 PHE 22 0.967 -7.039 0.955 179 HD2 PHE 22 HD2 PHE 22 2.984 -7.159 -2.857 180 HE1 PHE 22 HE1 PHE 22 0.368 -9.412 0.706 181 HE2 PHE 22 HE2 PHE 22 2.491 -9.589 -3.021 182 HZ PHE 22 HZ PHE 22 1.108 -10.699 -1.224 183 H ASN 23 HN ASN 23 -1.124 -3.352 -0.799 184 HA ASN 23 HA ASN 23 -3.050 -4.260 0.209 185 HB2 ASN 23 HB2 ASN 23 -3.659 -4.024 -2.217 186 HB3 ASN 23 HB3 ASN 23 -3.210 -5.706 -2.433 187 HD21 ASN 23 1HD2 ASN 23 -5.383 -3.717 -0.231 188 HD22 ASN 23 2HD2 ASN 23 -6.635 -4.938 -0.267 189 H HIS 24 HN HIS 24 -4.048 -6.994 -0.436 190 HA HIS 24 HA HIS 24 -1.916 -8.928 -0.099 191 HB2 HIS 24 HB2 HIS 24 -3.604 -10.091 1.478 192 HB3 HIS 24 HB3 HIS 24 -2.804 -8.718 2.208 193 HD1 HIS 24 HD1 HIS 24 -5.638 -7.086 0.361 194 HD2 HIS 24 HD2 HIS 24 -5.212 -9.566 3.759 195 HE1 HIS 24 HE1 HIS 24 -7.769 -6.976 1.602 196 H ILE 25 HN ILE 25 -5.470 -8.924 -0.215 197 HA ILE 25 HA ILE 25 -5.966 -11.012 -1.889 198 HB ILE 25 HB ILE 25 -7.445 -8.417 -1.351 199 HG12 ILE 25 2HG1 ILE 25 -7.692 -11.246 -0.227 200 HG13 ILE 25 3HG1 ILE 25 -6.824 -9.960 0.568 201 HG21 ILE 25 1HG2 ILE 25 -9.512 -9.564 -2.066 202 HG22 ILE 25 2HG2 ILE 25 -8.389 -9.422 -3.411 203 HG23 ILE 25 3HG2 ILE 25 -8.554 -10.975 -2.566 204 HD11 ILE 25 3HD1 ILE 25 -8.991 -8.628 0.605 205 HD12 ILE 25 1HD1 ILE 25 -9.798 -10.170 0.211 206 HD13 ILE 25 2HD1 ILE 25 -8.829 -10.016 1.694 207 H THR 26 HN THR 26 -5.234 -7.677 -2.993 208 HA THR 26 HA THR 26 -5.298 -8.731 -5.760 209 HB THR 26 HB THR 26 -5.398 -6.396 -6.403 210 HG1 THR 26 HG1 THR 26 -5.103 -4.814 -5.025 211 HG21 THR 26 1HG2 THR 26 -7.617 -5.918 -5.512 212 HG22 THR 26 2HG2 THR 26 -7.475 -7.684 -5.643 213 HG23 THR 26 3HG2 THR 26 -7.325 -6.900 -4.066 214 H ASN 27 HN ASN 27 -3.152 -8.485 -3.322 215 HA ASN 27 HA ASN 27 -0.991 -8.184 -2.922 216 HB2 ASN 27 HB2 ASN 27 -0.582 -9.575 -5.531 217 HB3 ASN 27 HB3 ASN 27 0.427 -9.586 -4.069 218 HD21 ASN 27 1HD2 ASN 27 0.211 -11.302 -2.719 219 HD22 ASN 27 2HD2 ASN 27 -1.188 -12.341 -2.648 220 H ALA 28 HN ALA 28 -2.024 -5.784 -4.153 221 HA ALA 28 HA ALA 28 -0.130 -5.015 -6.298 222 HB1 ALA 28 HB1 ALA 28 -2.809 -3.869 -5.457 223 HB2 ALA 28 HB2 ALA 28 -1.832 -3.310 -6.825 224 HB3 ALA 28 HB3 ALA 28 -2.538 -4.947 -6.850 225 H SER 29 HN SER 29 1.422 -3.502 -5.819 226 HA SER 29 HA SER 29 1.486 -2.141 -3.232 227 HB2 SER 29 HB2 SER 29 3.511 -1.078 -4.409 228 HB3 SER 29 HB3 SER 29 3.558 -2.806 -4.099 229 HG SER 29 HG SER 29 2.567 -1.738 -6.538 230 H GLN 30 HN GLN 30 1.371 0.212 -2.970 231 HA GLN 30 HA GLN 30 0.930 1.886 -5.134 232 HB2 GLN 30 HB2 GLN 30 -1.642 0.752 -4.439 233 HB3 GLN 30 HB3 GLN 30 -1.681 2.388 -3.922 234 HG2 GLN 30 HG2 GLN 30 -0.720 3.053 -6.207 235 HG3 GLN 30 HG3 GLN 30 -1.015 1.389 -6.714 236 HE21 GLN 30 1HE2 GLN 30 -2.525 4.577 -6.088 237 HE22 GLN 30 2HE2 GLN 30 -4.098 4.060 -6.500 238 H TRP 31 HN TRP 31 -0.417 4.051 -4.167 239 HA TRP 31 HA TRP 31 1.462 4.866 -2.031 240 HB2 TRP 31 HB2 TRP 31 0.211 6.434 -4.293 241 HB3 TRP 31 HB3 TRP 31 1.569 6.905 -3.291 242 HD1 TRP 31 HD1 TRP 31 0.715 5.374 -6.526 243 HE1 TRP 31 HE1 TRP 31 2.774 4.417 -7.723 244 HE3 TRP 31 HE3 TRP 31 3.957 5.262 -2.568 245 HZ2 TRP 31 HZ2 TRP 31 5.569 3.961 -7.097 246 HZ3 TRP 31 HZ3 TRP 31 6.274 4.536 -2.902 247 HH2 TRP 31 HH2 TRP 31 7.134 3.970 -5.141 248 H GLU 32 HN GLU 32 -1.985 4.936 -2.998 249 HA GLU 32 HA GLU 32 -2.451 7.281 -1.258 250 HB2 GLU 32 HB2 GLU 32 -4.483 5.617 -2.800 251 HB3 GLU 32 HB3 GLU 32 -4.823 7.073 -1.884 252 HG2 GLU 32 HG2 GLU 32 -4.478 8.118 -3.855 253 HG3 GLU 32 HG3 GLU 32 -2.792 8.049 -3.400 254 H ARG 33 HN ARG 33 -4.032 7.312 0.486 255 HA ARG 33 HA ARG 33 -3.502 4.942 2.188 256 HB2 ARG 33 HB2 ARG 33 -3.907 7.870 2.744 257 HB3 ARG 33 HB3 ARG 33 -4.087 6.663 4.031 258 HG2 ARG 33 HG2 ARG 33 -1.895 5.806 3.753 259 HG3 ARG 33 HG3 ARG 33 -1.639 6.650 2.228 260 HD2 ARG 33 HD2 ARG 33 -2.081 8.168 4.803 261 HD3 ARG 33 HD3 ARG 33 -0.500 7.576 4.329 262 HE ARG 33 HE ARG 33 -0.565 8.830 2.318 263 HH11 ARG 33 2HH2 ARG 33 -2.888 9.979 4.825 264 HH12 ARG 33 1HH2 ARG 33 -2.975 11.569 4.159 265 HH21 ARG 33 2HH1 ARG 33 -0.861 10.896 1.376 266 HH22 ARG 33 1HH1 ARG 33 -1.767 12.121 2.191 267 HA PRO 34 HA PRO 34 -7.841 4.144 1.231 268 HB2 PRO 34 HB2 PRO 34 -8.008 1.669 2.388 269 HB3 PRO 34 HB3 PRO 34 -7.338 2.022 0.774 270 HG2 PRO 34 HG2 PRO 34 -5.850 1.384 3.256 271 HG3 PRO 34 HG3 PRO 34 -5.455 0.979 1.601 272 HD2 PRO 34 HD2 PRO 34 -4.389 3.082 3.068 273 HD3 PRO 34 HD3 PRO 34 -4.361 3.031 1.336 274 H SER 35 HN SER 35 -9.438 5.116 2.404 275 HA SER 35 HA SER 35 -9.478 4.977 5.336 276 HB2 SER 35 HB2 SER 35 -11.481 6.064 3.313 277 HB3 SER 35 HB3 SER 35 -11.620 6.192 5.082 278 HG SER 35 HG SER 35 -9.512 7.183 5.032 279 H GLY 36 HN GLY 36 -10.901 3.124 2.606 280 HA2 GLY 36 HA1 GLY 36 -11.840 0.886 3.344 281 HA3 GLY 36 HA2 GLY 36 -12.833 1.858 4.451 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -5.881 7.294 -6.870 2 H2 GLY 1 H2 GLY 1 -5.197 5.816 -6.560 3 H3 GLY 1 H3 GLY 1 -5.412 6.319 -8.108 4 HA2 GLY 1 HA1 GLY 1 -7.794 6.289 -7.851 5 HA3 GLY 1 HA2 GLY 1 -7.062 4.702 -7.567 6 H SER 2 HN SER 2 -8.826 7.392 -6.152 7 HA SER 2 HA SER 2 -8.207 7.011 -3.444 8 HB2 SER 2 HB2 SER 2 -10.389 8.388 -3.247 9 HB3 SER 2 HB3 SER 2 -9.007 9.096 -4.094 10 HG SER 2 HG SER 2 -11.168 9.205 -5.107 11 H LYS 3 HN LYS 3 -10.077 4.882 -5.406 12 HA LYS 3 HA LYS 3 -12.014 3.990 -3.504 13 HB2 LYS 3 HB2 LYS 3 -10.525 2.609 -5.758 14 HB3 LYS 3 HB3 LYS 3 -11.749 1.789 -4.820 15 HG2 LYS 3 HG2 LYS 3 -12.280 4.345 -6.364 16 HG3 LYS 3 HG3 LYS 3 -12.535 2.735 -6.998 17 HD2 LYS 3 HD2 LYS 3 -13.960 3.894 -4.562 18 HD3 LYS 3 HD3 LYS 3 -14.625 3.733 -6.190 19 HE2 LYS 3 HE2 LYS 3 -14.369 1.263 -6.075 20 HE3 LYS 3 HE3 LYS 3 -13.725 1.411 -4.430 21 HZ1 LYS 3 HZ1 LYS 3 -16.029 0.880 -4.345 22 HZ2 LYS 3 HZ2 LYS 3 -15.842 2.397 -3.767 23 HZ3 LYS 3 HZ3 LYS 3 -16.451 2.147 -5.286 24 H LEU 4 HN LEU 4 -8.614 3.756 -3.327 25 HA LEU 4 HA LEU 4 -7.817 1.412 -2.428 26 HB2 LEU 4 HB2 LEU 4 -6.953 4.083 -2.143 27 HB3 LEU 4 HB3 LEU 4 -6.913 3.453 -0.521 28 HG LEU 4 HG LEU 4 -5.504 2.285 -2.946 29 HD11 LEU 4 1HD1 LEU 4 -4.677 4.424 -1.543 30 HD12 LEU 4 2HD1 LEU 4 -3.973 3.174 -0.515 31 HD13 LEU 4 3HD1 LEU 4 -3.542 3.204 -2.212 32 HD21 LEU 4 3HD2 LEU 4 -4.346 0.809 -1.345 33 HD22 LEU 4 1HD2 LEU 4 -5.397 1.382 -0.047 34 HD23 LEU 4 2HD2 LEU 4 -6.090 0.494 -1.386 35 HA PRO 5 HA PRO 5 -10.803 0.782 1.005 36 HB2 PRO 5 HB2 PRO 5 -10.813 -1.969 0.994 37 HB3 PRO 5 HB3 PRO 5 -11.662 -0.969 -0.234 38 HG2 PRO 5 HG2 PRO 5 -9.101 -2.468 -0.439 39 HG3 PRO 5 HG3 PRO 5 -10.345 -2.216 -1.687 40 HD2 PRO 5 HD2 PRO 5 -7.962 -0.720 -1.448 41 HD3 PRO 5 HD3 PRO 5 -9.405 -0.231 -2.354 42 HA PRO 6 HA PRO 6 -8.045 -0.647 4.365 43 HB2 PRO 6 HB2 PRO 6 -9.763 -1.919 6.100 44 HB3 PRO 6 HB3 PRO 6 -9.723 -0.136 5.915 45 HG2 PRO 6 HG2 PRO 6 -11.556 -2.113 4.519 46 HG3 PRO 6 HG3 PRO 6 -12.035 -0.655 5.434 47 HD2 PRO 6 HD2 PRO 6 -11.799 -0.630 2.733 48 HD3 PRO 6 HD3 PRO 6 -11.215 0.768 3.683 49 H GLY 7 HN GLY 7 -7.362 -2.825 5.334 50 HA2 GLY 7 HA1 GLY 7 -7.187 -5.201 5.211 51 HA3 GLY 7 HA2 GLY 7 -8.096 -5.215 3.709 52 H TRP 8 HN TRP 8 -5.139 -3.214 4.496 53 HA TRP 8 HA TRP 8 -3.878 -4.450 2.185 54 HB2 TRP 8 HB2 TRP 8 -4.255 -1.618 3.193 55 HB3 TRP 8 HB3 TRP 8 -2.930 -2.019 2.127 56 HD1 TRP 8 HD1 TRP 8 -6.864 -2.794 1.855 57 HE1 TRP 8 HE1 TRP 8 -7.474 -2.520 -0.480 58 HE3 TRP 8 HE3 TRP 8 -2.364 -1.342 0.017 59 HZ2 TRP 8 HZ2 TRP 8 -6.193 -1.772 -3.000 60 HZ3 TRP 8 HZ3 TRP 8 -2.034 -1.145 -2.472 61 HH2 TRP 8 HH2 TRP 8 -3.961 -1.399 -3.990 62 H GLU 9 HN GLU 9 -1.709 -4.805 2.157 63 HA GLU 9 HA GLU 9 -0.167 -4.753 4.649 64 HB2 GLU 9 HB2 GLU 9 0.085 -6.616 2.946 65 HB3 GLU 9 HB3 GLU 9 0.515 -5.387 1.746 66 HG2 GLU 9 HG2 GLU 9 2.590 -6.198 2.401 67 HG3 GLU 9 HG3 GLU 9 2.415 -4.712 3.329 68 H LYS 10 HN LYS 10 1.170 -2.974 5.081 69 HA LYS 10 HA LYS 10 1.374 -0.836 2.999 70 HB2 LYS 10 HB2 LYS 10 0.883 -0.580 5.978 71 HB3 LYS 10 HB3 LYS 10 1.382 0.769 4.940 72 HG2 LYS 10 HG2 LYS 10 -0.619 0.713 3.680 73 HG3 LYS 10 HG3 LYS 10 -0.992 -0.929 4.116 74 HD2 LYS 10 HD2 LYS 10 -2.535 0.091 5.236 75 HD3 LYS 10 HD3 LYS 10 -1.300 -0.020 6.501 76 HE2 LYS 10 HE2 LYS 10 -1.770 2.465 4.787 77 HE3 LYS 10 HE3 LYS 10 -2.678 2.159 6.267 78 HZ1 LYS 10 HZ1 LYS 10 -0.810 3.593 6.644 79 HZ2 LYS 10 HZ2 LYS 10 -0.635 2.201 7.507 80 HZ3 LYS 10 HZ3 LYS 10 0.260 2.492 6.140 81 H ARG 11 HN ARG 11 3.135 -1.912 2.331 82 HA ARG 11 HA ARG 11 5.291 -2.536 4.313 83 HB2 ARG 11 HB2 ARG 11 4.228 -4.263 2.426 84 HB3 ARG 11 HB3 ARG 11 5.584 -3.646 1.544 85 HG2 ARG 11 HG2 ARG 11 6.775 -4.160 3.967 86 HG3 ARG 11 HG3 ARG 11 5.496 -5.375 3.974 87 HD2 ARG 11 HD2 ARG 11 6.336 -6.315 1.872 88 HD3 ARG 11 HD3 ARG 11 7.522 -5.012 1.719 89 HE ARG 11 HE ARG 11 7.514 -7.237 3.676 90 HH11 ARG 11 2HH2 ARG 11 9.253 -4.332 2.504 91 HH12 ARG 11 1HH2 ARG 11 10.445 -4.404 3.746 92 HH21 ARG 11 2HH1 ARG 11 9.145 -7.407 5.161 93 HH22 ARG 11 1HH1 ARG 11 10.451 -6.246 5.253 94 H MET 12 HN MET 12 7.443 -2.287 3.664 95 HA MET 12 HA MET 12 7.839 0.045 1.898 96 HB2 MET 12 HB2 MET 12 9.563 -0.952 4.192 97 HB3 MET 12 HB3 MET 12 10.016 0.377 3.105 98 HG2 MET 12 HG2 MET 12 7.918 1.569 3.696 99 HG3 MET 12 HG3 MET 12 7.509 0.288 4.844 100 HE1 MET 12 HE1 MET 12 7.391 3.292 5.583 101 HE2 MET 12 HE2 MET 12 7.112 2.024 6.797 102 HE3 MET 12 HE3 MET 12 8.234 3.348 7.149 103 H SER 13 HN SER 13 9.619 0.105 0.452 104 HA SER 13 HA SER 13 10.207 -2.587 -0.686 105 HB2 SER 13 HB2 SER 13 8.261 -1.031 -1.497 106 HB3 SER 13 HB3 SER 13 9.528 -0.122 -2.318 107 HG SER 13 HG SER 13 8.498 -1.776 -3.584 108 H ARG 14 HN ARG 14 11.850 -0.344 0.565 109 HA ARG 14 HA ARG 14 14.095 -0.142 -1.358 110 HB2 ARG 14 HB2 ARG 14 12.267 1.428 -2.182 111 HB3 ARG 14 HB3 ARG 14 12.470 2.331 -0.700 112 HG2 ARG 14 HG2 ARG 14 13.503 3.479 -2.513 113 HG3 ARG 14 HG3 ARG 14 14.782 2.991 -1.431 114 HD2 ARG 14 HD2 ARG 14 13.984 1.352 -3.851 115 HD3 ARG 14 HD3 ARG 14 15.077 2.729 -3.996 116 HE ARG 14 HE ARG 14 16.563 1.606 -2.335 117 HH11 ARG 14 2HH2 ARG 14 14.693 -0.263 -4.717 118 HH12 ARG 14 1HH2 ARG 14 15.482 -1.758 -4.392 119 HH21 ARG 14 2HH1 ARG 14 17.879 -0.199 -2.244 120 HH22 ARG 14 1HH1 ARG 14 17.374 -1.733 -2.883 121 H SER 15 HN SER 15 13.798 -1.065 1.402 122 HA SER 15 HA SER 15 14.465 -0.769 3.543 123 HB2 SER 15 HB2 SER 15 16.831 0.203 3.718 124 HB3 SER 15 HB3 SER 15 16.525 -1.347 2.915 125 HG SER 15 HG SER 15 16.625 1.044 1.405 126 H SER 16 HN SER 16 12.935 0.508 4.287 127 HA SER 16 HA SER 16 11.627 2.231 4.842 128 HB2 SER 16 HB2 SER 16 13.995 2.626 5.998 129 HB3 SER 16 HB3 SER 16 13.941 4.083 5.023 130 HG SER 16 HG SER 16 11.849 4.519 6.068 131 H GLY 17 HN GLY 17 13.608 2.828 1.990 132 HA2 GLY 17 HA1 GLY 17 13.010 5.442 1.579 133 HA3 GLY 17 HA2 GLY 17 13.483 4.319 0.311 134 H ARG 18 HN ARG 18 10.661 2.875 0.828 135 HA ARG 18 HA ARG 18 8.773 4.843 -0.166 136 HB2 ARG 18 HB2 ARG 18 9.218 2.240 -1.719 137 HB3 ARG 18 HB3 ARG 18 8.101 3.501 -2.092 138 HG2 ARG 18 HG2 ARG 18 11.129 3.743 -2.320 139 HG3 ARG 18 HG3 ARG 18 10.045 3.315 -3.631 140 HD2 ARG 18 HD2 ARG 18 8.990 5.488 -3.608 141 HD3 ARG 18 HD3 ARG 18 9.926 5.998 -2.202 142 HE ARG 18 HE ARG 18 10.809 5.675 -4.986 143 HH11 ARG 18 2HH2 ARG 18 11.901 6.308 -1.658 144 HH12 ARG 18 1HH2 ARG 18 13.565 6.514 -2.082 145 HH21 ARG 18 2HH1 ARG 18 13.009 6.006 -5.564 146 HH22 ARG 18 1HH1 ARG 18 14.128 6.643 -4.424 147 H VAL 19 HN VAL 19 6.619 4.077 0.075 148 HA VAL 19 HA VAL 19 6.342 1.400 1.256 149 HB VAL 19 HB VAL 19 6.565 3.267 2.866 150 HG11 VAL 19 1HG1 VAL 19 5.147 4.963 1.740 151 HG12 VAL 19 2HG1 VAL 19 3.717 4.030 2.179 152 HG13 VAL 19 3HG1 VAL 19 4.741 4.672 3.454 153 HG21 VAL 19 3HG2 VAL 19 4.020 1.567 2.932 154 HG22 VAL 19 1HG2 VAL 19 5.618 1.119 3.559 155 HG23 VAL 19 2HG2 VAL 19 4.703 2.414 4.328 156 H TYR 20 HN TYR 20 5.966 1.107 -1.137 157 HA TYR 20 HA TYR 20 3.516 2.067 -2.234 158 HB2 TYR 20 HB2 TYR 20 4.113 0.788 -4.177 159 HB3 TYR 20 HB3 TYR 20 5.572 1.544 -3.581 160 HD1 TYR 20 HD1 TYR 20 5.925 -0.766 -1.294 161 HD2 TYR 20 HD2 TYR 20 5.303 -0.839 -5.561 162 HE1 TYR 20 HE1 TYR 20 6.563 -3.090 -1.345 163 HE2 TYR 20 HE2 TYR 20 6.051 -3.175 -5.616 164 HH TYR 20 HH TYR 20 6.910 -4.975 -4.372 165 H TYR 21 HN TYR 21 1.942 1.386 -0.558 166 HA TYR 21 HA TYR 21 1.582 -1.059 0.595 167 HB2 TYR 21 HB2 TYR 21 -0.837 0.353 -0.573 168 HB3 TYR 21 HB3 TYR 21 -0.704 -0.672 0.856 169 HD1 TYR 21 HD1 TYR 21 2.033 1.120 1.613 170 HD2 TYR 21 HD2 TYR 21 -2.200 1.637 1.035 171 HE1 TYR 21 HE1 TYR 21 2.054 3.025 3.063 172 HE2 TYR 21 HE2 TYR 21 -2.143 3.519 2.744 173 HH TYR 21 HH TYR 21 0.100 5.286 3.256 174 H PHE 22 HN PHE 22 0.900 -3.190 -0.033 175 HA PHE 22 HA PHE 22 0.449 -3.487 -2.950 176 HB2 PHE 22 HB2 PHE 22 2.185 -4.750 -3.023 177 HB3 PHE 22 HB3 PHE 22 2.483 -4.536 -1.330 178 HD1 PHE 22 HD1 PHE 22 1.008 -6.776 -3.882 179 HD2 PHE 22 HD2 PHE 22 1.920 -6.312 0.288 180 HE1 PHE 22 HE1 PHE 22 0.485 -9.176 -3.495 181 HE2 PHE 22 HE2 PHE 22 1.291 -8.680 0.691 182 HZ PHE 22 HZ PHE 22 0.487 -10.086 -1.219 183 H ASN 23 HN ASN 23 -1.527 -3.164 -0.784 184 HA ASN 23 HA ASN 23 -3.437 -4.183 0.292 185 HB2 ASN 23 HB2 ASN 23 -3.952 -4.151 -2.268 186 HB3 ASN 23 HB3 ASN 23 -3.621 -5.860 -2.241 187 HD21 ASN 23 1HD2 ASN 23 -6.214 -4.662 -3.032 188 HD22 ASN 23 2HD2 ASN 23 -7.358 -5.055 -1.777 189 H HIS 24 HN HIS 24 -4.365 -6.664 0.859 190 HA HIS 24 HA HIS 24 -2.232 -8.621 0.523 191 HB2 HIS 24 HB2 HIS 24 -2.900 -9.532 2.649 192 HB3 HIS 24 HB3 HIS 24 -2.162 -7.950 2.820 193 HD1 HIS 24 HD1 HIS 24 -3.161 -6.620 4.678 194 HD2 HIS 24 HD2 HIS 24 -5.812 -9.416 2.992 195 HE1 HIS 24 HE1 HIS 24 -5.402 -6.367 5.882 196 H ILE 25 HN ILE 25 -4.983 -7.600 -0.576 197 HA ILE 25 HA ILE 25 -6.392 -10.193 -0.805 198 HB ILE 25 HB ILE 25 -7.562 -7.398 -0.940 199 HG12 ILE 25 2HG1 ILE 25 -7.572 -9.163 1.568 200 HG13 ILE 25 3HG1 ILE 25 -6.469 -7.832 1.326 201 HG21 ILE 25 1HG2 ILE 25 -8.815 -9.257 -1.997 202 HG22 ILE 25 2HG2 ILE 25 -8.817 -10.125 -0.448 203 HG23 ILE 25 3HG2 ILE 25 -9.675 -8.576 -0.616 204 HD11 ILE 25 3HD1 ILE 25 -8.153 -6.209 1.214 205 HD12 ILE 25 1HD1 ILE 25 -9.426 -7.457 1.361 206 HD13 ILE 25 2HD1 ILE 25 -8.278 -7.182 2.696 207 H THR 26 HN THR 26 -6.611 -7.087 -2.672 208 HA THR 26 HA THR 26 -6.501 -8.689 -5.067 209 HB THR 26 HB THR 26 -7.143 -6.829 -6.210 210 HG1 THR 26 HG1 THR 26 -6.245 -5.087 -5.723 211 HG21 THR 26 1HG2 THR 26 -8.847 -7.916 -4.696 212 HG22 THR 26 2HG2 THR 26 -8.550 -6.661 -3.489 213 HG23 THR 26 3HG2 THR 26 -9.246 -6.224 -5.058 214 H ASN 27 HN ASN 27 -4.041 -7.964 -3.313 215 HA ASN 27 HA ASN 27 -1.780 -7.624 -3.618 216 HB2 ASN 27 HB2 ASN 27 -0.979 -9.435 -5.005 217 HB3 ASN 27 HB3 ASN 27 -2.220 -9.833 -3.803 218 HD21 ASN 27 1HD2 ASN 27 -2.706 -8.647 -7.181 219 HD22 ASN 27 2HD2 ASN 27 -3.586 -10.069 -7.716 220 H ALA 28 HN ALA 28 -1.984 -5.339 -4.352 221 HA ALA 28 HA ALA 28 -0.942 -4.844 -7.068 222 HB1 ALA 28 HB1 ALA 28 -3.354 -4.779 -7.371 223 HB2 ALA 28 HB2 ALA 28 -3.572 -3.767 -5.922 224 HB3 ALA 28 HB3 ALA 28 -2.759 -3.106 -7.356 225 H SER 29 HN SER 29 0.789 -3.390 -6.711 226 HA SER 29 HA SER 29 0.881 -2.056 -4.163 227 HB2 SER 29 HB2 SER 29 3.055 -1.179 -4.890 228 HB3 SER 29 HB3 SER 29 2.940 -2.929 -5.003 229 HG SER 29 HG SER 29 3.387 -2.723 -7.051 230 H GLN 30 HN GLN 30 1.087 0.288 -3.845 231 HA GLN 30 HA GLN 30 -0.148 2.049 -5.933 232 HB2 GLN 30 HB2 GLN 30 -0.985 1.891 -3.005 233 HB3 GLN 30 HB3 GLN 30 -1.693 2.950 -4.220 234 HG2 GLN 30 HG2 GLN 30 -1.874 -0.077 -4.353 235 HG3 GLN 30 HG3 GLN 30 -3.022 0.963 -3.515 236 HE21 GLN 30 1HE2 GLN 30 -1.545 0.577 -6.772 237 HE22 GLN 30 2HE2 GLN 30 -3.031 0.844 -7.641 238 H TRP 31 HN TRP 31 -0.180 4.489 -4.746 239 HA TRP 31 HA TRP 31 2.214 4.817 -3.011 240 HB2 TRP 31 HB2 TRP 31 1.140 6.756 -5.084 241 HB3 TRP 31 HB3 TRP 31 2.497 7.009 -4.022 242 HD1 TRP 31 HD1 TRP 31 1.799 6.305 -7.432 243 HE1 TRP 31 HE1 TRP 31 3.826 5.411 -8.708 244 HE3 TRP 31 HE3 TRP 31 4.666 4.748 -3.447 245 HZ2 TRP 31 HZ2 TRP 31 6.493 4.501 -8.076 246 HZ3 TRP 31 HZ3 TRP 31 6.938 3.874 -3.854 247 HH2 TRP 31 HH2 TRP 31 7.888 3.799 -6.141 248 H GLU 32 HN GLU 32 -1.116 5.354 -3.663 249 HA GLU 32 HA GLU 32 -1.793 7.533 -1.960 250 HB2 GLU 32 HB2 GLU 32 -3.469 5.255 -3.025 251 HB3 GLU 32 HB3 GLU 32 -4.064 6.811 -2.436 252 HG2 GLU 32 HG2 GLU 32 -4.181 7.141 -4.670 253 HG3 GLU 32 HG3 GLU 32 -2.504 7.667 -4.462 254 H ARG 33 HN ARG 33 -3.836 6.788 -0.360 255 HA ARG 33 HA ARG 33 -3.022 4.455 1.180 256 HB2 ARG 33 HB2 ARG 33 -3.229 5.364 3.359 257 HB3 ARG 33 HB3 ARG 33 -2.057 6.343 2.508 258 HG2 ARG 33 HG2 ARG 33 -4.905 7.362 2.566 259 HG3 ARG 33 HG3 ARG 33 -4.074 7.245 4.088 260 HD2 ARG 33 HD2 ARG 33 -3.841 9.477 3.189 261 HD3 ARG 33 HD3 ARG 33 -2.272 8.683 3.332 262 HE ARG 33 HE ARG 33 -1.974 8.805 1.074 263 HH11 ARG 33 2HH2 ARG 33 -5.472 9.327 1.607 264 HH12 ARG 33 1HH2 ARG 33 -5.780 9.787 -0.017 265 HH21 ARG 33 2HH1 ARG 33 -2.344 9.460 -1.008 266 HH22 ARG 33 1HH1 ARG 33 -3.952 9.643 -1.631 267 HA PRO 34 HA PRO 34 -7.541 4.077 1.455 268 HB2 PRO 34 HB2 PRO 34 -7.756 1.836 2.971 269 HB3 PRO 34 HB3 PRO 34 -7.239 1.819 1.268 270 HG2 PRO 34 HG2 PRO 34 -5.574 1.316 3.631 271 HG3 PRO 34 HG3 PRO 34 -5.444 0.702 1.970 272 HD2 PRO 34 HD2 PRO 34 -4.080 2.955 3.127 273 HD3 PRO 34 HD3 PRO 34 -4.031 2.420 1.436 274 H SER 35 HN SER 35 -9.130 4.173 3.218 275 HA SER 35 HA SER 35 -8.301 4.103 5.960 276 HB2 SER 35 HB2 SER 35 -8.913 6.781 4.683 277 HB3 SER 35 HB3 SER 35 -9.256 6.502 6.395 278 HG SER 35 HG SER 35 -6.758 5.789 5.330 279 H GLY 36 HN GLY 36 -10.801 3.937 3.554 280 HA2 GLY 36 HA1 GLY 36 -12.921 4.249 5.588 281 HA3 GLY 36 HA2 GLY 36 -13.024 4.719 3.885 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -8.598 7.129 -3.044 2 H2 GLY 1 H2 GLY 1 -7.533 8.391 -2.836 3 H3 GLY 1 H3 GLY 1 -8.330 8.182 -4.265 4 HA2 GLY 1 HA1 GLY 1 -6.108 7.480 -4.532 5 HA3 GLY 1 HA2 GLY 1 -6.314 6.353 -3.170 6 H SER 2 HN SER 2 -5.635 5.652 -5.950 7 HA SER 2 HA SER 2 -7.624 4.927 -7.660 8 HB2 SER 2 HB2 SER 2 -4.872 3.955 -7.082 9 HB3 SER 2 HB3 SER 2 -5.898 2.804 -7.950 10 HG SER 2 HG SER 2 -4.846 5.212 -8.783 11 H LYS 3 HN LYS 3 -9.552 4.273 -6.726 12 HA LYS 3 HA LYS 3 -11.166 2.914 -5.875 13 HB2 LYS 3 HB2 LYS 3 -10.118 1.539 -7.840 14 HB3 LYS 3 HB3 LYS 3 -9.420 0.541 -6.571 15 HG2 LYS 3 HG2 LYS 3 -11.800 0.074 -5.763 16 HG3 LYS 3 HG3 LYS 3 -12.375 0.995 -7.164 17 HD2 LYS 3 HD2 LYS 3 -11.112 -0.592 -8.661 18 HD3 LYS 3 HD3 LYS 3 -10.576 -1.474 -7.234 19 HE2 LYS 3 HE2 LYS 3 -12.368 -2.698 -8.197 20 HE3 LYS 3 HE3 LYS 3 -12.949 -2.013 -6.675 21 HZ1 LYS 3 HZ1 LYS 3 -14.149 -0.355 -7.935 22 HZ2 LYS 3 HZ2 LYS 3 -13.451 -0.857 -9.354 23 HZ3 LYS 3 HZ3 LYS 3 -14.506 -1.824 -8.585 24 H LEU 4 HN LEU 4 -8.632 3.595 -4.119 25 HA LEU 4 HA LEU 4 -7.548 1.516 -2.912 26 HB2 LEU 4 HB2 LEU 4 -6.771 3.758 -3.198 27 HB3 LEU 4 HB3 LEU 4 -7.803 4.317 -1.874 28 HG LEU 4 HG LEU 4 -6.507 3.218 -0.304 29 HD11 LEU 4 1HD1 LEU 4 -5.162 1.602 -2.480 30 HD12 LEU 4 2HD1 LEU 4 -4.544 1.689 -0.829 31 HD13 LEU 4 3HD1 LEU 4 -6.137 0.994 -1.125 32 HD21 LEU 4 3HD2 LEU 4 -4.210 3.986 -0.705 33 HD22 LEU 4 1HD2 LEU 4 -4.615 4.237 -2.392 34 HD23 LEU 4 2HD2 LEU 4 -5.459 5.179 -1.125 35 HA PRO 5 HA PRO 5 -11.053 0.418 -0.188 36 HB2 PRO 5 HB2 PRO 5 -10.662 -2.303 -0.212 37 HB3 PRO 5 HB3 PRO 5 -11.383 -1.401 -1.582 38 HG2 PRO 5 HG2 PRO 5 -8.631 -2.526 -1.257 39 HG3 PRO 5 HG3 PRO 5 -9.631 -2.432 -2.733 40 HD2 PRO 5 HD2 PRO 5 -7.600 -0.572 -2.060 41 HD3 PRO 5 HD3 PRO 5 -8.858 -0.320 -3.207 42 HA PRO 6 HA PRO 6 -8.906 -1.019 3.640 43 HB2 PRO 6 HB2 PRO 6 -10.687 -2.835 4.687 44 HB3 PRO 6 HB3 PRO 6 -10.949 -1.065 4.783 45 HG2 PRO 6 HG2 PRO 6 -12.083 -2.989 2.742 46 HG3 PRO 6 HG3 PRO 6 -12.957 -1.754 3.713 47 HD2 PRO 6 HD2 PRO 6 -12.165 -1.249 1.174 48 HD3 PRO 6 HD3 PRO 6 -12.064 0.017 2.428 49 H GLY 7 HN GLY 7 -8.091 -3.207 4.474 50 HA2 GLY 7 HA1 GLY 7 -7.490 -5.474 4.107 51 HA3 GLY 7 HA2 GLY 7 -8.156 -5.415 2.486 52 H TRP 8 HN TRP 8 -5.625 -3.274 4.004 53 HA TRP 8 HA TRP 8 -3.765 -4.228 1.974 54 HB2 TRP 8 HB2 TRP 8 -4.400 -1.416 2.954 55 HB3 TRP 8 HB3 TRP 8 -2.913 -1.790 2.107 56 HD1 TRP 8 HD1 TRP 8 -6.765 -2.329 1.270 57 HE1 TRP 8 HE1 TRP 8 -7.080 -1.887 -1.086 58 HE3 TRP 8 HE3 TRP 8 -1.960 -1.217 0.012 59 HZ2 TRP 8 HZ2 TRP 8 -5.439 -1.348 -3.499 60 HZ3 TRP 8 HZ3 TRP 8 -1.345 -0.815 -2.395 61 HH2 TRP 8 HH2 TRP 8 -3.084 -0.961 -4.139 62 H GLU 9 HN GLU 9 -1.618 -4.524 2.470 63 HA GLU 9 HA GLU 9 -0.793 -3.870 5.219 64 HB2 GLU 9 HB2 GLU 9 0.352 -5.823 3.179 65 HB3 GLU 9 HB3 GLU 9 1.338 -5.080 4.422 66 HG2 GLU 9 HG2 GLU 9 -0.806 -5.901 5.953 67 HG3 GLU 9 HG3 GLU 9 -0.794 -7.146 4.702 68 H LYS 10 HN LYS 10 0.527 -2.246 5.435 69 HA LYS 10 HA LYS 10 1.131 -0.581 3.053 70 HB2 LYS 10 HB2 LYS 10 0.997 0.201 5.981 71 HB3 LYS 10 HB3 LYS 10 1.335 1.284 4.623 72 HG2 LYS 10 HG2 LYS 10 -0.960 0.493 3.664 73 HG3 LYS 10 HG3 LYS 10 -1.239 -0.214 5.259 74 HD2 LYS 10 HD2 LYS 10 -0.712 2.182 6.173 75 HD3 LYS 10 HD3 LYS 10 -0.917 2.699 4.506 76 HE2 LYS 10 HE2 LYS 10 -3.037 2.988 5.349 77 HE3 LYS 10 HE3 LYS 10 -3.131 1.391 4.562 78 HZ1 LYS 10 HZ1 LYS 10 -3.989 0.880 6.688 79 HZ2 LYS 10 HZ2 LYS 10 -2.406 0.688 7.026 80 HZ3 LYS 10 HZ3 LYS 10 -3.161 2.059 7.416 81 H ARG 11 HN ARG 11 2.924 -1.606 2.367 82 HA ARG 11 HA ARG 11 4.996 -2.492 4.301 83 HB2 ARG 11 HB2 ARG 11 3.767 -3.868 2.180 84 HB3 ARG 11 HB3 ARG 11 5.305 -3.401 1.510 85 HG2 ARG 11 HG2 ARG 11 4.826 -5.011 4.061 86 HG3 ARG 11 HG3 ARG 11 5.332 -5.616 2.501 87 HD2 ARG 11 HD2 ARG 11 7.389 -5.531 3.502 88 HD3 ARG 11 HD3 ARG 11 7.359 -3.945 2.773 89 HE ARG 11 HE ARG 11 6.333 -4.308 5.538 90 HH11 ARG 11 2HH2 ARG 11 9.165 -3.310 3.577 91 HH12 ARG 11 1HH2 ARG 11 9.993 -2.644 4.951 92 HH21 ARG 11 2HH1 ARG 11 7.388 -3.364 7.259 93 HH22 ARG 11 1HH1 ARG 11 8.916 -2.576 7.079 94 H MET 12 HN MET 12 7.091 -2.132 3.511 95 HA MET 12 HA MET 12 7.375 0.148 1.637 96 HB2 MET 12 HB2 MET 12 9.258 -0.558 3.901 97 HB3 MET 12 HB3 MET 12 9.731 0.425 2.524 98 HG2 MET 12 HG2 MET 12 7.724 1.906 3.044 99 HG3 MET 12 HG3 MET 12 7.651 1.105 4.604 100 HE1 MET 12 HE1 MET 12 9.141 4.763 5.146 101 HE2 MET 12 HE2 MET 12 8.104 4.324 3.784 102 HE3 MET 12 HE3 MET 12 7.746 3.700 5.415 103 H SER 13 HN SER 13 8.306 -0.211 -0.211 104 HA SER 13 HA SER 13 9.650 -2.693 -0.968 105 HB2 SER 13 HB2 SER 13 8.511 -1.277 -2.662 106 HB3 SER 13 HB3 SER 13 9.532 0.099 -2.225 107 HG SER 13 HG SER 13 10.158 -1.101 -4.095 108 H ARG 14 HN ARG 14 11.566 -3.114 0.079 109 HA ARG 14 HA ARG 14 12.972 -1.103 1.615 110 HB2 ARG 14 HB2 ARG 14 13.884 -3.865 0.697 111 HB3 ARG 14 HB3 ARG 14 14.697 -2.858 1.893 112 HG2 ARG 14 HG2 ARG 14 12.771 -3.020 3.414 113 HG3 ARG 14 HG3 ARG 14 11.854 -3.926 2.198 114 HD2 ARG 14 HD2 ARG 14 12.733 -5.502 3.785 115 HD3 ARG 14 HD3 ARG 14 13.547 -5.732 2.247 116 HE ARG 14 HE ARG 14 15.534 -4.906 3.074 117 HH11 ARG 14 2HH2 ARG 14 13.158 -5.252 5.693 118 HH12 ARG 14 1HH2 ARG 14 14.200 -4.725 6.950 119 HH21 ARG 14 2HH1 ARG 14 17.023 -4.442 4.742 120 HH22 ARG 14 1HH1 ARG 14 16.510 -4.378 6.405 121 H SER 15 HN SER 15 13.091 -1.990 -1.779 122 HA SER 15 HA SER 15 15.636 -1.508 -2.509 123 HB2 SER 15 HB2 SER 15 13.087 -0.772 -3.973 124 HB3 SER 15 HB3 SER 15 14.674 -1.070 -4.726 125 HG SER 15 HG SER 15 13.025 -2.914 -4.468 126 H SER 16 HN SER 16 13.142 1.022 -1.869 127 HA SER 16 HA SER 16 15.373 2.984 -1.627 128 HB2 SER 16 HB2 SER 16 12.483 3.679 -2.156 129 HB3 SER 16 HB3 SER 16 13.917 4.684 -2.350 130 HG SER 16 HG SER 16 14.531 3.495 -4.100 131 H GLY 17 HN GLY 17 12.631 1.368 -0.106 132 HA2 GLY 17 HA1 GLY 17 11.702 1.520 1.959 133 HA3 GLY 17 HA2 GLY 17 12.844 2.797 2.429 134 H ARG 18 HN ARG 18 10.217 2.232 0.028 135 HA ARG 18 HA ARG 18 8.933 4.718 1.049 136 HB2 ARG 18 HB2 ARG 18 8.666 3.553 -1.738 137 HB3 ARG 18 HB3 ARG 18 7.667 4.795 -1.042 138 HG2 ARG 18 HG2 ARG 18 9.934 6.161 -0.782 139 HG3 ARG 18 HG3 ARG 18 10.504 5.036 -2.029 140 HD2 ARG 18 HD2 ARG 18 9.631 6.841 -3.300 141 HD3 ARG 18 HD3 ARG 18 8.348 5.668 -3.337 142 HE ARG 18 HE ARG 18 7.008 7.087 -2.056 143 HH11 ARG 18 2HH2 ARG 18 10.306 8.388 -2.229 144 HH12 ARG 18 1HH2 ARG 18 9.888 9.879 -1.426 145 HH21 ARG 18 2HH1 ARG 18 6.513 9.065 -0.890 146 HH22 ARG 18 1HH1 ARG 18 7.611 10.375 -0.974 147 H VAL 19 HN VAL 19 6.690 4.517 1.229 148 HA VAL 19 HA VAL 19 5.860 1.733 1.659 149 HB VAL 19 HB VAL 19 6.018 3.406 3.515 150 HG11 VAL 19 1HG1 VAL 19 3.327 4.417 2.604 151 HG12 VAL 19 2HG1 VAL 19 4.238 4.867 4.049 152 HG13 VAL 19 3HG1 VAL 19 4.844 5.295 2.430 153 HG21 VAL 19 3HG2 VAL 19 4.075 2.525 4.729 154 HG22 VAL 19 1HG2 VAL 19 3.469 1.837 3.225 155 HG23 VAL 19 2HG2 VAL 19 5.012 1.282 3.894 156 H TYR 20 HN TYR 20 5.870 1.893 -0.810 157 HA TYR 20 HA TYR 20 3.549 2.925 -2.182 158 HB2 TYR 20 HB2 TYR 20 4.207 1.704 -4.045 159 HB3 TYR 20 HB3 TYR 20 5.695 2.316 -3.353 160 HD1 TYR 20 HD1 TYR 20 5.990 0.139 -1.133 161 HD2 TYR 20 HD2 TYR 20 5.059 -0.110 -5.324 162 HE1 TYR 20 HE1 TYR 20 6.324 -2.298 -1.061 163 HE2 TYR 20 HE2 TYR 20 5.452 -2.571 -5.255 164 HH TYR 20 HH TYR 20 6.210 -4.298 -2.254 165 H TYR 21 HN TYR 21 2.870 1.324 0.135 166 HA TYR 21 HA TYR 21 2.290 -0.822 1.032 167 HB2 TYR 21 HB2 TYR 21 0.144 -0.087 -0.948 168 HB3 TYR 21 HB3 TYR 21 -0.032 -1.010 0.549 169 HD1 TYR 21 HD1 TYR 21 2.027 1.219 1.900 170 HD2 TYR 21 HD2 TYR 21 -1.789 1.253 -0.103 171 HE1 TYR 21 HE1 TYR 21 1.527 3.324 2.967 172 HE2 TYR 21 HE2 TYR 21 -2.331 3.325 1.068 173 HH TYR 21 HH TYR 21 -0.064 4.986 3.280 174 H PHE 22 HN PHE 22 0.876 -2.971 0.357 175 HA PHE 22 HA PHE 22 1.312 -3.566 -2.396 176 HB2 PHE 22 HB2 PHE 22 3.200 -4.652 -1.892 177 HB3 PHE 22 HB3 PHE 22 2.930 -4.706 -0.199 178 HD1 PHE 22 HD2 PHE 22 1.545 -6.499 0.879 179 HD2 PHE 22 HD1 PHE 22 2.921 -6.753 -3.206 180 HE1 PHE 22 HE2 PHE 22 1.125 -8.932 0.894 181 HE2 PHE 22 HE1 PHE 22 2.515 -9.205 -3.171 182 HZ PHE 22 HZ PHE 22 1.573 -10.286 -1.131 183 H ASN 23 HN ASN 23 -0.915 -3.189 -0.282 184 HA ASN 23 HA ASN 23 -2.999 -4.102 0.281 185 HB2 ASN 23 HB2 ASN 23 -3.126 -4.020 -2.250 186 HB3 ASN 23 HB3 ASN 23 -2.738 -5.731 -2.252 187 HD21 ASN 23 1HD2 ASN 23 -5.324 -3.519 -2.180 188 HD22 ASN 23 2HD2 ASN 23 -6.556 -4.704 -1.756 189 H HIS 24 HN HIS 24 -3.878 -6.940 0.294 190 HA HIS 24 HA HIS 24 -1.614 -8.634 0.452 191 HB2 HIS 24 HB2 HIS 24 -2.643 -9.663 2.447 192 HB3 HIS 24 HB3 HIS 24 -1.592 -8.278 2.750 193 HD1 HIS 24 HD1 HIS 24 -2.747 -6.272 4.055 194 HD2 HIS 24 HD2 HIS 24 -5.258 -9.487 3.049 195 HE1 HIS 24 HE1 HIS 24 -4.994 -5.837 5.189 196 H ILE 25 HN ILE 25 -5.110 -7.957 0.438 197 HA ILE 25 HA ILE 25 -6.119 -10.537 -0.142 198 HB ILE 25 HB ILE 25 -7.126 -7.752 -0.862 199 HG12 ILE 25 2HG1 ILE 25 -6.713 -7.866 1.536 200 HG13 ILE 25 3HG1 ILE 25 -8.401 -7.755 1.212 201 HG21 ILE 25 1HG2 ILE 25 -8.819 -10.240 -0.522 202 HG22 ILE 25 2HG2 ILE 25 -9.304 -8.631 -1.098 203 HG23 ILE 25 3HG2 ILE 25 -8.253 -9.667 -2.075 204 HD11 ILE 25 3HD1 ILE 25 -6.971 -10.381 1.873 205 HD12 ILE 25 1HD1 ILE 25 -7.827 -9.378 3.039 206 HD13 ILE 25 2HD1 ILE 25 -8.723 -10.142 1.721 207 H THR 26 HN THR 26 -5.292 -7.747 -2.285 208 HA THR 26 HA THR 26 -5.256 -9.619 -4.578 209 HB THR 26 HB THR 26 -6.026 -7.703 -5.884 210 HG1 THR 26 HG1 THR 26 -6.631 -5.861 -4.935 211 HG21 THR 26 1HG2 THR 26 -7.974 -8.168 -3.611 212 HG22 THR 26 2HG2 THR 26 -8.307 -7.904 -5.324 213 HG23 THR 26 3HG2 THR 26 -7.593 -9.435 -4.798 214 H ASN 27 HN ASN 27 -2.908 -8.562 -2.897 215 HA ASN 27 HA ASN 27 -0.813 -7.659 -3.164 216 HB2 ASN 27 HB2 ASN 27 0.505 -9.059 -4.555 217 HB3 ASN 27 HB3 ASN 27 -0.685 -9.980 -3.654 218 HD21 ASN 27 1HD2 ASN 27 -2.551 -10.784 -4.843 219 HD22 ASN 27 2HD2 ASN 27 -2.431 -11.164 -6.557 220 H ALA 28 HN ALA 28 -1.412 -5.399 -3.730 221 HA ALA 28 HA ALA 28 -0.333 -4.573 -6.320 222 HB1 ALA 28 HB1 ALA 28 -3.190 -3.911 -5.451 223 HB2 ALA 28 HB2 ALA 28 -2.311 -3.126 -6.785 224 HB3 ALA 28 HB3 ALA 28 -2.689 -4.855 -6.884 225 H SER 29 HN SER 29 0.270 -2.286 -6.272 226 HA SER 29 HA SER 29 0.767 -1.402 -3.496 227 HB2 SER 29 HB2 SER 29 2.855 -0.486 -4.912 228 HB3 SER 29 HB3 SER 29 2.763 -2.100 -4.240 229 HG SER 29 HG SER 29 3.183 -1.562 -6.744 230 H GLN 30 HN GLN 30 0.772 0.805 -2.981 231 HA GLN 30 HA GLN 30 -0.088 2.793 -4.949 232 HB2 GLN 30 HB2 GLN 30 -2.098 1.946 -2.823 233 HB3 GLN 30 HB3 GLN 30 -2.123 3.550 -3.563 234 HG2 GLN 30 HG2 GLN 30 -2.069 2.474 -5.821 235 HG3 GLN 30 HG3 GLN 30 -2.319 0.923 -5.015 236 HE21 GLN 30 1HE2 GLN 30 -4.494 0.319 -5.440 237 HE22 GLN 30 2HE2 GLN 30 -5.817 1.475 -5.357 238 H TRP 31 HN TRP 31 -0.535 4.993 -3.977 239 HA TRP 31 HA TRP 31 1.566 5.523 -1.928 240 HB2 TRP 31 HB2 TRP 31 0.519 7.337 -4.136 241 HB3 TRP 31 HB3 TRP 31 1.910 7.606 -3.103 242 HD1 TRP 31 HD1 TRP 31 0.904 6.168 -6.361 243 HE1 TRP 31 HE1 TRP 31 2.961 5.144 -7.586 244 HE3 TRP 31 HE3 TRP 31 4.201 5.962 -2.449 245 HZ2 TRP 31 HZ2 TRP 31 5.531 4.130 -6.879 246 HZ3 TRP 31 HZ3 TRP 31 6.356 4.830 -2.721 247 HH2 TRP 31 HH2 TRP 31 7.064 3.920 -4.929 248 H GLU 32 HN GLU 32 -1.716 6.338 -3.065 249 HA GLU 32 HA GLU 32 -2.370 8.263 -1.018 250 HB2 GLU 32 HB2 GLU 32 -4.197 6.397 -2.615 251 HB3 GLU 32 HB3 GLU 32 -4.690 7.845 -1.767 252 HG2 GLU 32 HG2 GLU 32 -4.497 8.799 -3.809 253 HG3 GLU 32 HG3 GLU 32 -2.772 8.893 -3.455 254 H ARG 33 HN ARG 33 -4.379 7.511 0.576 255 HA ARG 33 HA ARG 33 -3.373 5.032 1.930 256 HB2 ARG 33 HB2 ARG 33 -2.599 6.897 3.055 257 HB3 ARG 33 HB3 ARG 33 -4.162 7.720 3.052 258 HG2 ARG 33 HG2 ARG 33 -3.981 5.041 4.434 259 HG3 ARG 33 HG3 ARG 33 -3.151 6.409 5.183 260 HD2 ARG 33 HD2 ARG 33 -5.219 7.727 5.250 261 HD3 ARG 33 HD3 ARG 33 -6.095 6.463 4.396 262 HE ARG 33 HE ARG 33 -6.262 5.199 6.247 263 HH11 ARG 33 2HH2 ARG 33 -4.000 7.895 6.966 264 HH12 ARG 33 1HH2 ARG 33 -4.011 7.637 8.660 265 HH21 ARG 33 2HH1 ARG 33 -6.234 4.854 8.551 266 HH22 ARG 33 1HH1 ARG 33 -5.262 5.851 9.579 267 HA PRO 34 HA PRO 34 -7.718 3.915 1.377 268 HB2 PRO 34 HB2 PRO 34 -7.618 1.417 2.630 269 HB3 PRO 34 HB3 PRO 34 -7.295 1.758 0.932 270 HG2 PRO 34 HG2 PRO 34 -5.433 1.123 3.112 271 HG3 PRO 34 HG3 PRO 34 -5.217 0.912 1.365 272 HD2 PRO 34 HD2 PRO 34 -4.064 2.999 2.898 273 HD3 PRO 34 HD3 PRO 34 -4.265 2.939 1.121 274 H SER 35 HN SER 35 -9.485 3.217 2.709 275 HA SER 35 HA SER 35 -10.094 3.976 5.253 276 HB2 SER 35 HB2 SER 35 -10.784 1.279 4.009 277 HB3 SER 35 HB3 SER 35 -11.807 2.299 5.011 278 HG SER 35 HG SER 35 -12.533 2.634 3.060 279 H GLY 36 HN GLY 36 -8.575 0.854 4.238 280 HA2 GLY 36 HA1 GLY 36 -6.722 -0.170 5.359 281 HA3 GLY 36 HA2 GLY 36 -7.185 0.628 6.876 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -15.621 2.570 -2.712 2 H2 GLY 1 H2 GLY 1 -14.405 1.914 -3.607 3 H3 GLY 1 H3 GLY 1 -15.178 1.004 -2.461 4 HA2 GLY 1 HA1 GLY 1 -14.359 2.462 -0.734 5 HA3 GLY 1 HA2 GLY 1 -13.066 1.638 -1.611 6 H SER 2 HN SER 2 -11.941 3.550 -0.541 7 HA SER 2 HA SER 2 -12.115 6.139 -1.916 8 HB2 SER 2 HB2 SER 2 -10.048 6.521 -0.395 9 HB3 SER 2 HB3 SER 2 -11.618 6.259 0.363 10 HG SER 2 HG SER 2 -9.872 4.070 -0.097 11 H LYS 3 HN LYS 3 -11.779 4.441 -3.913 12 HA LYS 3 HA LYS 3 -10.550 3.395 -5.505 13 HB2 LYS 3 HB2 LYS 3 -8.158 5.153 -4.858 14 HB3 LYS 3 HB3 LYS 3 -8.447 4.163 -6.277 15 HG2 LYS 3 HG2 LYS 3 -10.602 5.713 -6.519 16 HG3 LYS 3 HG3 LYS 3 -9.693 6.775 -5.440 17 HD2 LYS 3 HD2 LYS 3 -9.253 7.456 -7.686 18 HD3 LYS 3 HD3 LYS 3 -7.767 6.699 -7.087 19 HE2 LYS 3 HE2 LYS 3 -8.080 4.749 -8.393 20 HE3 LYS 3 HE3 LYS 3 -9.822 5.023 -8.540 21 HZ1 LYS 3 HZ1 LYS 3 -8.722 5.475 -10.587 22 HZ2 LYS 3 HZ2 LYS 3 -9.397 6.849 -10.004 23 HZ3 LYS 3 HZ3 LYS 3 -7.765 6.647 -9.908 24 H LEU 4 HN LEU 4 -7.969 4.097 -3.237 25 HA LEU 4 HA LEU 4 -6.895 1.492 -2.868 26 HB2 LEU 4 HB2 LEU 4 -6.384 4.185 -2.032 27 HB3 LEU 4 HB3 LEU 4 -6.536 3.236 -0.576 28 HG LEU 4 HG LEU 4 -4.750 2.432 -2.890 29 HD11 LEU 4 1HD1 LEU 4 -4.231 4.168 -0.487 30 HD12 LEU 4 2HD1 LEU 4 -2.897 3.250 -1.224 31 HD13 LEU 4 3HD1 LEU 4 -3.784 4.435 -2.186 32 HD21 LEU 4 3HD2 LEU 4 -3.731 0.914 -1.478 33 HD22 LEU 4 1HD2 LEU 4 -4.382 1.590 -0.024 34 HD23 LEU 4 2HD2 LEU 4 -5.453 0.693 -1.104 35 HA PRO 5 HA PRO 5 -10.621 0.371 -0.382 36 HB2 PRO 5 HB2 PRO 5 -10.288 -2.369 -0.583 37 HB3 PRO 5 HB3 PRO 5 -10.956 -1.360 -1.901 38 HG2 PRO 5 HG2 PRO 5 -8.286 -2.620 -1.647 39 HG3 PRO 5 HG3 PRO 5 -9.217 -2.249 -3.118 40 HD2 PRO 5 HD2 PRO 5 -7.101 -0.652 -2.027 41 HD3 PRO 5 HD3 PRO 5 -8.209 -0.197 -3.310 42 HA PRO 6 HA PRO 6 -8.642 -1.261 3.433 43 HB2 PRO 6 HB2 PRO 6 -10.523 -3.062 4.385 44 HB3 PRO 6 HB3 PRO 6 -10.688 -1.281 4.537 45 HG2 PRO 6 HG2 PRO 6 -11.875 -3.096 2.414 46 HG3 PRO 6 HG3 PRO 6 -12.710 -1.836 3.384 47 HD2 PRO 6 HD2 PRO 6 -11.833 -1.324 0.878 48 HD3 PRO 6 HD3 PRO 6 -11.692 -0.095 2.168 49 H GLY 7 HN GLY 7 -7.915 -3.585 4.286 50 HA2 GLY 7 HA1 GLY 7 -7.441 -5.860 3.824 51 HA3 GLY 7 HA2 GLY 7 -7.869 -5.622 2.142 52 H TRP 8 HN TRP 8 -5.541 -3.752 4.181 53 HA TRP 8 HA TRP 8 -3.383 -4.287 2.197 54 HB2 TRP 8 HB2 TRP 8 -4.607 -1.659 3.122 55 HB3 TRP 8 HB3 TRP 8 -2.992 -1.775 2.468 56 HD1 TRP 8 HD1 TRP 8 -6.615 -2.723 1.259 57 HE1 TRP 8 HE1 TRP 8 -6.759 -2.279 -1.163 58 HE3 TRP 8 HE3 TRP 8 -1.862 -1.210 0.458 59 HZ2 TRP 8 HZ2 TRP 8 -5.015 -1.528 -3.337 60 HZ3 TRP 8 HZ3 TRP 8 -1.030 -0.823 -1.892 61 HH2 TRP 8 HH2 TRP 8 -2.611 -0.988 -3.806 62 H GLU 9 HN GLU 9 -1.316 -3.840 2.912 63 HA GLU 9 HA GLU 9 -0.825 -3.359 5.795 64 HB2 GLU 9 HB2 GLU 9 0.748 -4.963 3.728 65 HB3 GLU 9 HB3 GLU 9 1.352 -4.557 5.333 66 HG2 GLU 9 HG2 GLU 9 -1.263 -6.055 5.044 67 HG3 GLU 9 HG3 GLU 9 0.292 -6.869 4.846 68 H LYS 10 HN LYS 10 0.422 -1.585 6.088 69 HA LYS 10 HA LYS 10 1.316 -0.064 3.672 70 HB2 LYS 10 HB2 LYS 10 1.316 0.835 6.572 71 HB3 LYS 10 HB3 LYS 10 1.937 1.758 5.185 72 HG2 LYS 10 HG2 LYS 10 -0.405 1.316 4.103 73 HG3 LYS 10 HG3 LYS 10 -0.916 0.893 5.742 74 HD2 LYS 10 HD2 LYS 10 -0.144 3.194 6.456 75 HD3 LYS 10 HD3 LYS 10 0.202 3.536 4.769 76 HE2 LYS 10 HE2 LYS 10 -1.894 4.486 5.083 77 HE3 LYS 10 HE3 LYS 10 -2.242 2.937 4.285 78 HZ1 LYS 10 HZ1 LYS 10 -2.457 3.447 7.197 79 HZ2 LYS 10 HZ2 LYS 10 -3.724 3.299 6.138 80 HZ3 LYS 10 HZ3 LYS 10 -2.798 2.022 6.432 81 H ARG 11 HN ARG 11 3.135 -0.730 2.843 82 HA ARG 11 HA ARG 11 5.324 -1.789 4.514 83 HB2 ARG 11 HB2 ARG 11 3.933 -3.148 2.152 84 HB3 ARG 11 HB3 ARG 11 5.618 -3.503 2.571 85 HG2 ARG 11 HG2 ARG 11 4.954 -4.051 4.881 86 HG3 ARG 11 HG3 ARG 11 3.261 -3.782 4.469 87 HD2 ARG 11 HD2 ARG 11 3.224 -5.695 2.996 88 HD3 ARG 11 HD3 ARG 11 4.994 -5.851 3.055 89 HE ARG 11 HE ARG 11 4.563 -6.085 5.616 90 HH11 ARG 11 2HH2 ARG 11 2.886 -7.948 3.119 91 HH12 ARG 11 1HH2 ARG 11 2.085 -9.000 4.252 92 HH21 ARG 11 2HH1 ARG 11 3.777 -7.476 7.028 93 HH22 ARG 11 1HH1 ARG 11 2.621 -8.717 6.594 94 H MET 12 HN MET 12 7.364 -1.810 3.269 95 HA MET 12 HA MET 12 7.413 0.467 1.383 96 HB2 MET 12 HB2 MET 12 9.292 -0.241 3.663 97 HB3 MET 12 HB3 MET 12 9.721 0.930 2.406 98 HG2 MET 12 HG2 MET 12 7.996 2.429 3.019 99 HG3 MET 12 HG3 MET 12 7.144 1.207 3.953 100 HE1 MET 12 HE1 MET 12 7.850 3.534 6.863 101 HE2 MET 12 HE2 MET 12 7.269 3.904 5.223 102 HE3 MET 12 HE3 MET 12 6.680 2.461 6.072 103 H SER 13 HN SER 13 8.952 0.413 -0.270 104 HA SER 13 HA SER 13 9.614 -2.360 -1.062 105 HB2 SER 13 HB2 SER 13 8.306 -0.736 -2.538 106 HB3 SER 13 HB3 SER 13 9.835 0.125 -2.776 107 HG SER 13 HG SER 13 9.053 -1.751 -4.208 108 H ARG 14 HN ARG 14 11.627 -3.078 -0.966 109 HA ARG 14 HA ARG 14 13.812 -1.396 -0.055 110 HB2 ARG 14 HB2 ARG 14 15.212 -3.446 -0.306 111 HB3 ARG 14 HB3 ARG 14 13.842 -3.571 0.788 112 HG2 ARG 14 HG2 ARG 14 12.579 -4.821 -0.951 113 HG3 ARG 14 HG3 ARG 14 13.986 -4.736 -2.030 114 HD2 ARG 14 HD2 ARG 14 15.293 -6.128 -0.583 115 HD3 ARG 14 HD3 ARG 14 14.221 -5.856 0.788 116 HE ARG 14 HE ARG 14 12.840 -7.495 0.154 117 HH11 ARG 14 2HH2 ARG 14 15.295 -7.366 -2.351 118 HH12 ARG 14 1HH2 ARG 14 14.409 -8.321 -3.497 119 HH21 ARG 14 2HH1 ARG 14 11.682 -8.807 -1.281 120 HH22 ARG 14 1HH1 ARG 14 12.245 -9.110 -2.908 121 H SER 15 HN SER 15 12.497 -1.457 -3.165 122 HA SER 15 HA SER 15 14.638 -1.305 -4.818 123 HB2 SER 15 HB2 SER 15 13.205 0.496 -5.948 124 HB3 SER 15 HB3 SER 15 12.466 -1.091 -5.713 125 HG SER 15 HG SER 15 11.029 0.419 -5.077 126 H SER 16 HN SER 16 13.333 1.263 -2.587 127 HA SER 16 HA SER 16 16.011 2.398 -2.356 128 HB2 SER 16 HB2 SER 16 13.581 3.883 -3.385 129 HB3 SER 16 HB3 SER 16 15.098 4.605 -2.882 130 HG SER 16 HG SER 16 15.569 2.609 -4.628 131 H GLY 17 HN GLY 17 12.661 3.469 -1.593 132 HA2 GLY 17 HA1 GLY 17 12.457 2.888 1.131 133 HA3 GLY 17 HA2 GLY 17 13.399 4.393 0.982 134 H ARG 18 HN ARG 18 10.411 2.786 -0.161 135 HA ARG 18 HA ARG 18 8.933 5.363 -0.131 136 HB2 ARG 18 HB2 ARG 18 8.841 3.220 -2.304 137 HB3 ARG 18 HB3 ARG 18 7.708 4.534 -2.147 138 HG2 ARG 18 HG2 ARG 18 9.675 6.169 -2.443 139 HG3 ARG 18 HG3 ARG 18 10.644 4.759 -2.931 140 HD2 ARG 18 HD2 ARG 18 8.928 4.265 -4.700 141 HD3 ARG 18 HD3 ARG 18 8.040 5.696 -4.197 142 HE ARG 18 HE ARG 18 10.867 5.959 -5.111 143 HH11 ARG 18 2HH2 ARG 18 7.486 6.961 -5.518 144 HH12 ARG 18 1HH2 ARG 18 7.756 7.694 -7.065 145 HH21 ARG 18 2HH1 ARG 18 11.288 7.188 -6.919 146 HH22 ARG 18 1HH1 ARG 18 10.063 8.090 -7.736 147 H VAL 19 HN VAL 19 6.656 4.979 0.071 148 HA VAL 19 HA VAL 19 6.039 2.333 1.280 149 HB VAL 19 HB VAL 19 6.355 4.259 2.793 150 HG11 VAL 19 1HG1 VAL 19 3.641 5.247 1.874 151 HG12 VAL 19 2HG1 VAL 19 4.547 5.796 3.271 152 HG13 VAL 19 3HG1 VAL 19 5.205 6.064 1.648 153 HG21 VAL 19 3HG2 VAL 19 5.239 2.171 3.463 154 HG22 VAL 19 1HG2 VAL 19 4.697 3.595 4.361 155 HG23 VAL 19 2HG2 VAL 19 3.682 2.913 3.095 156 H TYR 20 HN TYR 20 5.787 1.763 -0.879 157 HA TYR 20 HA TYR 20 3.467 2.535 -2.451 158 HB2 TYR 20 HB2 TYR 20 4.299 1.082 -4.075 159 HB3 TYR 20 HB3 TYR 20 5.771 1.714 -3.364 160 HD1 TYR 20 HD1 TYR 20 6.021 0.089 -0.902 161 HD2 TYR 20 HD2 TYR 20 4.813 -1.088 -4.846 162 HE1 TYR 20 HE1 TYR 20 6.202 -2.316 -0.257 163 HE2 TYR 20 HE2 TYR 20 5.121 -3.470 -4.228 164 HH TYR 20 HH TYR 20 5.541 -4.945 -2.550 165 H TYR 21 HN TYR 21 3.036 1.370 0.204 166 HA TYR 21 HA TYR 21 2.404 -0.553 1.473 167 HB2 TYR 21 HB2 TYR 21 0.161 0.107 -0.396 168 HB3 TYR 21 HB3 TYR 21 0.017 -0.682 1.177 169 HD1 TYR 21 HD1 TYR 21 2.395 1.847 1.800 170 HD2 TYR 21 HD2 TYR 21 -1.799 1.146 1.031 171 HE1 TYR 21 HE1 TYR 21 1.861 4.092 2.643 172 HE2 TYR 21 HE2 TYR 21 -2.307 3.313 2.016 173 HH TYR 21 HH TYR 21 -1.177 5.481 2.027 174 H PHE 22 HN PHE 22 0.551 -2.515 1.104 175 HA PHE 22 HA PHE 22 0.741 -3.728 -1.440 176 HB2 PHE 22 HB2 PHE 22 2.692 -4.795 -0.722 177 HB3 PHE 22 HB3 PHE 22 2.201 -4.850 0.945 178 HD1 PHE 22 HD1 PHE 22 0.611 -6.620 1.778 179 HD2 PHE 22 HD2 PHE 22 2.296 -6.674 -2.203 180 HE1 PHE 22 HE1 PHE 22 0.090 -9.033 1.587 181 HE2 PHE 22 HE2 PHE 22 1.807 -9.086 -2.362 182 HZ PHE 22 HZ PHE 22 0.612 -10.248 -0.532 183 H ASN 23 HN ASN 23 -1.351 -4.317 -1.739 184 HA ASN 23 HA ASN 23 -3.374 -4.930 0.289 185 HB2 ASN 23 HB2 ASN 23 -3.878 -4.106 -2.025 186 HB3 ASN 23 HB3 ASN 23 -3.204 -5.613 -2.653 187 HD21 ASN 23 1HD2 ASN 23 -5.899 -4.296 -0.681 188 HD22 ASN 23 2HD2 ASN 23 -6.946 -5.659 -0.988 189 H HIS 24 HN HIS 24 -4.042 -7.021 0.743 190 HA HIS 24 HA HIS 24 -2.026 -9.101 0.119 191 HB2 HIS 24 HB2 HIS 24 -2.582 -9.963 2.376 192 HB3 HIS 24 HB3 HIS 24 -2.069 -8.284 2.408 193 HD1 HIS 24 HD1 HIS 24 -3.336 -6.890 4.067 194 HD2 HIS 24 HD2 HIS 24 -5.592 -10.053 2.451 195 HE1 HIS 24 HE1 HIS 24 -5.685 -6.709 5.041 196 H ILE 25 HN ILE 25 -4.832 -8.463 -1.097 197 HA ILE 25 HA ILE 25 -6.075 -11.165 -0.945 198 HB ILE 25 HB ILE 25 -7.274 -8.457 -1.649 199 HG12 ILE 25 2HG1 ILE 25 -7.810 -9.885 0.983 200 HG13 ILE 25 3HG1 ILE 25 -6.453 -8.796 0.811 201 HG21 ILE 25 1HG2 ILE 25 -8.438 -10.381 -2.663 202 HG22 ILE 25 2HG2 ILE 25 -8.585 -11.144 -1.071 203 HG23 ILE 25 3HG2 ILE 25 -9.432 -9.618 -1.421 204 HD11 ILE 25 3HD1 ILE 25 -9.247 -7.921 0.269 205 HD12 ILE 25 1HD1 ILE 25 -8.298 -7.701 1.766 206 HD13 ILE 25 2HD1 ILE 25 -7.751 -6.945 0.257 207 H THR 26 HN THR 26 -5.878 -8.337 -3.172 208 HA THR 26 HA THR 26 -5.705 -10.131 -5.447 209 HB THR 26 HB THR 26 -6.232 -8.059 -6.676 210 HG1 THR 26 HG1 THR 26 -6.465 -6.193 -5.652 211 HG21 THR 26 1HG2 THR 26 -8.551 -7.855 -5.820 212 HG22 THR 26 2HG2 THR 26 -8.033 -9.556 -5.775 213 HG23 THR 26 3HG2 THR 26 -8.089 -8.586 -4.289 214 H ASN 27 HN ASN 27 -3.638 -8.548 -3.435 215 HA ASN 27 HA ASN 27 -1.375 -8.055 -3.395 216 HB2 ASN 27 HB2 ASN 27 -1.129 -10.324 -3.899 217 HB3 ASN 27 HB3 ASN 27 -1.308 -10.044 -5.640 218 HD21 ASN 27 1HD2 ASN 27 0.872 -11.353 -5.357 219 HD22 ASN 27 2HD2 ASN 27 2.307 -10.413 -4.956 220 H ALA 28 HN ALA 28 -1.703 -5.896 -3.798 221 HA ALA 28 HA ALA 28 -0.874 -4.794 -6.380 222 HB1 ALA 28 HB1 ALA 28 -2.773 -3.166 -6.312 223 HB2 ALA 28 HB2 ALA 28 -3.361 -4.828 -6.492 224 HB3 ALA 28 HB3 ALA 28 -3.452 -4.018 -4.913 225 H SER 29 HN SER 29 -0.369 -2.353 -5.950 226 HA SER 29 HA SER 29 0.373 -1.827 -3.112 227 HB2 SER 29 HB2 SER 29 2.723 -1.243 -4.361 228 HB3 SER 29 HB3 SER 29 2.371 -2.674 -3.422 229 HG SER 29 HG SER 29 2.235 -2.438 -6.261 230 H GLN 30 HN GLN 30 0.750 0.525 -2.702 231 HA GLN 30 HA GLN 30 0.203 2.469 -4.745 232 HB2 GLN 30 HB2 GLN 30 -2.215 1.564 -3.142 233 HB3 GLN 30 HB3 GLN 30 -2.049 3.248 -3.547 234 HG2 GLN 30 HG2 GLN 30 -1.703 2.577 -5.972 235 HG3 GLN 30 HG3 GLN 30 -2.302 0.982 -5.501 236 HE21 GLN 30 1HE2 GLN 30 -3.307 4.536 -4.943 237 HE22 GLN 30 2HE2 GLN 30 -4.963 4.173 -5.332 238 H TRP 31 HN TRP 31 -0.570 4.689 -3.580 239 HA TRP 31 HA TRP 31 1.482 5.011 -1.461 240 HB2 TRP 31 HB2 TRP 31 0.345 7.161 -3.257 241 HB3 TRP 31 HB3 TRP 31 1.841 7.145 -2.358 242 HD1 TRP 31 HD1 TRP 31 0.516 6.785 -5.678 243 HE1 TRP 31 HE1 TRP 31 2.236 5.911 -7.355 244 HE3 TRP 31 HE3 TRP 31 3.925 4.971 -2.372 245 HZ2 TRP 31 HZ2 TRP 31 4.906 4.735 -7.241 246 HZ3 TRP 31 HZ3 TRP 31 5.973 3.901 -3.147 247 HH2 TRP 31 HH2 TRP 31 6.523 3.786 -5.595 248 H GLU 32 HN GLU 32 -1.886 5.899 -2.360 249 HA GLU 32 HA GLU 32 -2.196 8.031 -0.427 250 HB2 GLU 32 HB2 GLU 32 -4.412 6.469 -1.821 251 HB3 GLU 32 HB3 GLU 32 -4.484 8.055 -1.085 252 HG2 GLU 32 HG2 GLU 32 -4.229 8.776 -3.180 253 HG3 GLU 32 HG3 GLU 32 -2.517 8.592 -2.845 254 H ARG 33 HN ARG 33 -4.330 7.739 1.188 255 HA ARG 33 HA ARG 33 -3.723 5.230 2.722 256 HB2 ARG 33 HB2 ARG 33 -4.571 6.073 4.623 257 HB3 ARG 33 HB3 ARG 33 -3.766 7.469 3.921 258 HG2 ARG 33 HG2 ARG 33 -6.005 8.348 3.196 259 HG3 ARG 33 HG3 ARG 33 -6.757 6.903 3.908 260 HD2 ARG 33 HD2 ARG 33 -5.743 7.531 6.116 261 HD3 ARG 33 HD3 ARG 33 -5.341 9.098 5.425 262 HE ARG 33 HE ARG 33 -7.993 7.971 6.074 263 HH11 ARG 33 2HH2 ARG 33 -6.334 10.672 4.452 264 HH12 ARG 33 1HH2 ARG 33 -7.629 11.792 4.729 265 HH21 ARG 33 2HH1 ARG 33 -9.646 9.390 6.427 266 HH22 ARG 33 1HH1 ARG 33 -9.641 11.011 5.811 267 HA PRO 34 HA PRO 34 -7.744 3.771 1.208 268 HB2 PRO 34 HB2 PRO 34 -7.810 1.392 2.600 269 HB3 PRO 34 HB3 PRO 34 -7.180 1.664 0.949 270 HG2 PRO 34 HG2 PRO 34 -5.660 1.214 3.408 271 HG3 PRO 34 HG3 PRO 34 -5.245 0.832 1.740 272 HD2 PRO 34 HD2 PRO 34 -4.259 3.036 3.183 273 HD3 PRO 34 HD3 PRO 34 -4.273 2.954 1.429 274 H SER 35 HN SER 35 -9.649 4.050 2.145 275 HA SER 35 HA SER 35 -9.747 4.925 4.992 276 HB2 SER 35 HB2 SER 35 -11.084 6.189 2.568 277 HB3 SER 35 HB3 SER 35 -11.093 6.798 4.222 278 HG SER 35 HG SER 35 -8.794 6.506 2.551 279 H GLY 36 HN GLY 36 -11.417 3.344 2.173 280 HA2 GLY 36 HA1 GLY 36 -12.814 1.526 3.643 281 HA3 GLY 36 HA2 GLY 36 -13.911 2.908 3.381 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -11.190 10.816 -1.825 2 H2 GLY 1 H2 GLY 1 -10.950 9.242 -1.417 3 H3 GLY 1 H3 GLY 1 -9.688 10.156 -1.933 4 HA2 GLY 1 HA1 GLY 1 -12.010 9.325 -3.534 5 HA3 GLY 1 HA2 GLY 1 -10.691 10.360 -4.118 6 H SER 2 HN SER 2 -9.707 8.966 -5.618 7 HA SER 2 HA SER 2 -8.889 7.118 -6.580 8 HB2 SER 2 HB2 SER 2 -7.572 6.859 -3.854 9 HB3 SER 2 HB3 SER 2 -7.148 5.862 -5.255 10 HG SER 2 HG SER 2 -5.851 7.475 -5.556 11 H LYS 3 HN LYS 3 -8.376 4.468 -5.759 12 HA LYS 3 HA LYS 3 -11.056 3.467 -4.939 13 HB2 LYS 3 HB2 LYS 3 -11.000 1.773 -6.669 14 HB3 LYS 3 HB3 LYS 3 -10.973 3.376 -7.392 15 HG2 LYS 3 HG2 LYS 3 -8.670 3.192 -7.991 16 HG3 LYS 3 HG3 LYS 3 -8.397 1.794 -6.950 17 HD2 LYS 3 HD2 LYS 3 -9.793 0.379 -8.304 18 HD3 LYS 3 HD3 LYS 3 -10.305 1.734 -9.313 19 HE2 LYS 3 HE2 LYS 3 -7.401 0.898 -9.086 20 HE3 LYS 3 HE3 LYS 3 -8.509 0.151 -10.242 21 HZ1 LYS 3 HZ1 LYS 3 -8.891 2.274 -11.236 22 HZ2 LYS 3 HZ2 LYS 3 -7.914 3.042 -10.150 23 HZ3 LYS 3 HZ3 LYS 3 -7.267 1.968 -11.211 24 H LEU 4 HN LEU 4 -8.432 3.764 -3.491 25 HA LEU 4 HA LEU 4 -7.145 1.203 -3.590 26 HB2 LEU 4 HB2 LEU 4 -6.147 3.569 -3.273 27 HB3 LEU 4 HB3 LEU 4 -6.513 3.350 -1.570 28 HG LEU 4 HG LEU 4 -5.088 1.123 -3.089 29 HD11 LEU 4 1HD1 LEU 4 -3.886 3.146 -3.780 30 HD12 LEU 4 2HD1 LEU 4 -3.541 3.525 -2.087 31 HD13 LEU 4 3HD1 LEU 4 -2.916 2.034 -2.775 32 HD21 LEU 4 3HD2 LEU 4 -4.963 2.283 -0.322 33 HD22 LEU 4 1HD2 LEU 4 -5.547 0.657 -0.800 34 HD23 LEU 4 2HD2 LEU 4 -3.823 1.057 -0.863 35 HA PRO 5 HA PRO 5 -10.425 -0.136 -0.790 36 HB2 PRO 5 HB2 PRO 5 -9.871 -2.867 -0.873 37 HB3 PRO 5 HB3 PRO 5 -10.691 -1.962 -2.165 38 HG2 PRO 5 HG2 PRO 5 -7.964 -3.075 -2.108 39 HG3 PRO 5 HG3 PRO 5 -8.962 -2.604 -3.504 40 HD2 PRO 5 HD2 PRO 5 -6.859 -1.018 -2.227 41 HD3 PRO 5 HD3 PRO 5 -7.843 -0.630 -3.632 42 HA PRO 6 HA PRO 6 -8.591 -1.444 3.191 43 HB2 PRO 6 HB2 PRO 6 -10.405 -3.377 4.061 44 HB3 PRO 6 HB3 PRO 6 -10.704 -1.624 4.173 45 HG2 PRO 6 HG2 PRO 6 -11.653 -3.529 2.040 46 HG3 PRO 6 HG3 PRO 6 -12.592 -2.270 2.907 47 HD2 PRO 6 HD2 PRO 6 -11.572 -1.848 0.435 48 HD3 PRO 6 HD3 PRO 6 -11.606 -0.545 1.654 49 H GLY 7 HN GLY 7 -7.827 -3.681 4.200 50 HA2 GLY 7 HA1 GLY 7 -7.153 -5.934 3.865 51 HA3 GLY 7 HA2 GLY 7 -7.355 -5.768 2.139 52 H TRP 8 HN TRP 8 -5.630 -3.202 3.881 53 HA TRP 8 HA TRP 8 -3.183 -4.063 2.386 54 HB2 TRP 8 HB2 TRP 8 -4.519 -1.367 2.714 55 HB3 TRP 8 HB3 TRP 8 -2.878 -1.580 2.138 56 HD1 TRP 8 HD1 TRP 8 -6.275 -3.204 0.988 57 HE1 TRP 8 HE1 TRP 8 -6.484 -2.878 -1.428 58 HE3 TRP 8 HE3 TRP 8 -1.836 -0.998 0.142 59 HZ2 TRP 8 HZ2 TRP 8 -4.929 -1.687 -3.646 60 HZ3 TRP 8 HZ3 TRP 8 -1.158 -0.249 -2.181 61 HH2 TRP 8 HH2 TRP 8 -2.736 -0.600 -4.072 62 H GLU 9 HN GLU 9 -1.217 -3.266 3.080 63 HA GLU 9 HA GLU 9 -0.954 -2.512 5.954 64 HB2 GLU 9 HB2 GLU 9 0.957 -4.020 4.104 65 HB3 GLU 9 HB3 GLU 9 1.298 -3.537 5.770 66 HG2 GLU 9 HG2 GLU 9 -0.804 -4.862 6.447 67 HG3 GLU 9 HG3 GLU 9 -0.783 -5.553 4.819 68 H LYS 10 HN LYS 10 1.281 -1.202 6.109 69 HA LYS 10 HA LYS 10 1.622 0.490 3.701 70 HB2 LYS 10 HB2 LYS 10 1.366 1.654 6.455 71 HB3 LYS 10 HB3 LYS 10 1.925 2.514 4.993 72 HG2 LYS 10 HG2 LYS 10 -0.236 1.664 3.873 73 HG3 LYS 10 HG3 LYS 10 -0.744 1.197 5.486 74 HD2 LYS 10 HD2 LYS 10 -0.149 3.873 5.839 75 HD3 LYS 10 HD3 LYS 10 -0.627 3.836 4.137 76 HE2 LYS 10 HE2 LYS 10 -2.482 4.380 5.625 77 HE3 LYS 10 HE3 LYS 10 -2.746 2.952 4.601 78 HZ1 LYS 10 HZ1 LYS 10 -2.464 1.545 6.427 79 HZ2 LYS 10 HZ2 LYS 10 -1.906 2.707 7.440 80 HZ3 LYS 10 HZ3 LYS 10 -3.490 2.660 6.939 81 H ARG 11 HN ARG 11 3.290 -0.680 2.999 82 HA ARG 11 HA ARG 11 5.314 -1.579 4.988 83 HB2 ARG 11 HB2 ARG 11 3.736 -3.190 3.581 84 HB3 ARG 11 HB3 ARG 11 4.857 -2.871 2.288 85 HG2 ARG 11 HG2 ARG 11 6.134 -4.549 3.112 86 HG3 ARG 11 HG3 ARG 11 6.504 -3.529 4.503 87 HD2 ARG 11 HD2 ARG 11 4.230 -4.370 5.460 88 HD3 ARG 11 HD3 ARG 11 4.310 -5.609 4.194 89 HE ARG 11 HE ARG 11 6.772 -5.602 5.605 90 HH11 ARG 11 2HH2 ARG 11 3.347 -6.589 6.079 91 HH12 ARG 11 1HH2 ARG 11 3.737 -7.582 7.441 92 HH21 ARG 11 2HH1 ARG 11 7.188 -7.026 7.395 93 HH22 ARG 11 1HH1 ARG 11 5.865 -7.886 8.132 94 H MET 12 HN MET 12 7.457 -1.843 3.978 95 HA MET 12 HA MET 12 7.924 0.801 2.703 96 HB2 MET 12 HB2 MET 12 8.498 0.191 5.145 97 HB3 MET 12 HB3 MET 12 9.919 -0.606 4.468 98 HG2 MET 12 HG2 MET 12 10.547 1.547 3.362 99 HG3 MET 12 HG3 MET 12 9.090 2.298 4.004 100 HE1 MET 12 HE1 MET 12 9.827 2.438 7.879 101 HE2 MET 12 HE2 MET 12 8.582 2.483 6.607 102 HE3 MET 12 HE3 MET 12 9.230 0.930 7.167 103 H SER 13 HN SER 13 7.520 -0.910 0.767 104 HA SER 13 HA SER 13 8.246 -2.253 -0.957 105 HB2 SER 13 HB2 SER 13 8.723 0.018 -1.515 106 HB3 SER 13 HB3 SER 13 10.217 -0.020 -0.590 107 HG SER 13 HG SER 13 9.629 -1.185 -3.085 108 H ARG 14 HN ARG 14 10.654 -3.021 -1.994 109 HA ARG 14 HA ARG 14 12.239 -4.332 0.121 110 HB2 ARG 14 HB2 ARG 14 10.490 -5.683 -1.884 111 HB3 ARG 14 HB3 ARG 14 12.078 -6.397 -1.663 112 HG2 ARG 14 HG2 ARG 14 10.280 -5.796 0.715 113 HG3 ARG 14 HG3 ARG 14 10.112 -7.271 -0.216 114 HD2 ARG 14 HD2 ARG 14 12.806 -6.452 0.935 115 HD3 ARG 14 HD3 ARG 14 11.619 -7.325 1.889 116 HE ARG 14 HE ARG 14 11.605 -9.120 0.289 117 HH11 ARG 14 2HH2 ARG 14 14.521 -7.119 0.362 118 HH12 ARG 14 1HH2 ARG 14 15.400 -8.052 -0.781 119 HH21 ARG 14 2HH1 ARG 14 12.781 -10.515 -1.073 120 HH22 ARG 14 1HH1 ARG 14 14.441 -10.209 -1.436 121 H SER 15 HN SER 15 12.424 -2.129 -2.178 122 HA SER 15 HA SER 15 15.120 -2.357 -2.017 123 HB2 SER 15 HB2 SER 15 14.041 -3.003 -4.751 124 HB3 SER 15 HB3 SER 15 15.500 -2.000 -4.630 125 HG SER 15 HG SER 15 15.154 -4.512 -3.337 126 H SER 16 HN SER 16 12.648 -0.694 -4.094 127 HA SER 16 HA SER 16 13.848 1.806 -4.040 128 HB2 SER 16 HB2 SER 16 10.903 1.110 -4.111 129 HB3 SER 16 HB3 SER 16 11.568 2.721 -4.439 130 HG SER 16 HG SER 16 11.914 0.323 -5.892 131 H GLY 17 HN GLY 17 12.063 0.283 -1.406 132 HA2 GLY 17 HA1 GLY 17 11.934 0.921 0.826 133 HA3 GLY 17 HA2 GLY 17 12.981 2.306 0.465 134 H ARG 18 HN ARG 18 9.945 1.752 -1.243 135 HA ARG 18 HA ARG 18 8.945 4.428 -0.319 136 HB2 ARG 18 HB2 ARG 18 8.030 2.319 -2.338 137 HB3 ARG 18 HB3 ARG 18 7.114 3.759 -1.996 138 HG2 ARG 18 HG2 ARG 18 9.940 4.028 -3.048 139 HG3 ARG 18 HG3 ARG 18 8.605 3.668 -4.152 140 HD2 ARG 18 HD2 ARG 18 7.400 5.665 -3.497 141 HD3 ARG 18 HD3 ARG 18 8.590 6.033 -2.236 142 HE ARG 18 HE ARG 18 9.960 5.829 -4.704 143 HH11 ARG 18 2HH2 ARG 18 7.489 8.002 -3.319 144 HH12 ARG 18 1HH2 ARG 18 8.217 9.418 -4.016 145 HH21 ARG 18 2HH1 ARG 18 10.744 7.616 -5.691 146 HH22 ARG 18 1HH1 ARG 18 10.250 9.231 -5.232 147 H VAL 19 HN VAL 19 6.871 4.562 0.358 148 HA VAL 19 HA VAL 19 5.962 2.235 1.897 149 HB VAL 19 HB VAL 19 6.438 4.450 2.889 150 HG11 VAL 19 1HG1 VAL 19 4.739 6.131 2.987 151 HG12 VAL 19 2HG1 VAL 19 5.221 5.882 1.291 152 HG13 VAL 19 3HG1 VAL 19 3.689 5.235 1.893 153 HG21 VAL 19 3HG2 VAL 19 5.253 2.618 4.070 154 HG22 VAL 19 1HG2 VAL 19 4.629 4.195 4.561 155 HG23 VAL 19 2HG2 VAL 19 3.698 3.192 3.427 156 H TYR 20 HN TYR 20 5.744 1.344 -0.303 157 HA TYR 20 HA TYR 20 3.677 2.363 -2.076 158 HB2 TYR 20 HB2 TYR 20 4.379 0.720 -3.566 159 HB3 TYR 20 HB3 TYR 20 5.867 1.237 -2.807 160 HD1 TYR 20 HD1 TYR 20 5.481 -0.535 -0.202 161 HD2 TYR 20 HD2 TYR 20 5.113 -1.371 -4.417 162 HE1 TYR 20 HE1 TYR 20 5.703 -2.954 0.250 163 HE2 TYR 20 HE2 TYR 20 5.388 -3.762 -3.971 164 HH TYR 20 HH TYR 20 6.031 -5.059 -0.694 165 H TYR 21 HN TYR 21 2.584 1.909 0.281 166 HA TYR 21 HA TYR 21 1.667 0.384 1.839 167 HB2 TYR 21 HB2 TYR 21 -0.279 0.774 -0.364 168 HB3 TYR 21 HB3 TYR 21 -0.679 0.283 1.290 169 HD1 TYR 21 HD1 TYR 21 1.881 2.394 2.169 170 HD2 TYR 21 HD2 TYR 21 -1.987 2.587 0.210 171 HE1 TYR 21 HE1 TYR 21 1.803 4.718 2.622 172 HE2 TYR 21 HE2 TYR 21 -2.064 4.968 0.750 173 HH TYR 21 HH TYR 21 -0.489 6.756 1.056 174 H PHE 22 HN PHE 22 -0.085 -1.387 0.020 175 HA PHE 22 HA PHE 22 0.585 -3.279 -1.375 176 HB2 PHE 22 HB2 PHE 22 2.710 -3.662 -0.447 177 HB3 PHE 22 HB3 PHE 22 2.060 -4.061 1.145 178 HD1 PHE 22 HD2 PHE 22 2.502 -5.364 -2.321 179 HD2 PHE 22 HD1 PHE 22 1.233 -6.211 1.720 180 HE1 PHE 22 HE2 PHE 22 2.501 -7.797 -2.819 181 HE2 PHE 22 HE1 PHE 22 1.224 -8.626 1.214 182 HZ PHE 22 HZ PHE 22 1.837 -9.428 -1.051 183 H ASN 23 HN ASN 23 -1.344 -4.127 -1.625 184 HA ASN 23 HA ASN 23 -3.317 -4.797 0.426 185 HB2 ASN 23 HB2 ASN 23 -3.676 -4.187 -2.052 186 HB3 ASN 23 HB3 ASN 23 -3.127 -5.768 -2.445 187 HD21 ASN 23 1HD2 ASN 23 -5.700 -5.179 -3.378 188 HD22 ASN 23 2HD2 ASN 23 -6.905 -5.730 -2.231 189 H HIS 24 HN HIS 24 -3.962 -7.068 0.766 190 HA HIS 24 HA HIS 24 -1.887 -9.079 0.043 191 HB2 HIS 24 HB2 HIS 24 -2.740 -10.312 1.987 192 HB3 HIS 24 HB3 HIS 24 -2.153 -8.718 2.425 193 HD1 HIS 24 HD1 HIS 24 -3.487 -7.322 3.957 194 HD2 HIS 24 HD2 HIS 24 -5.730 -10.338 2.098 195 HE1 HIS 24 HE1 HIS 24 -5.832 -7.174 4.890 196 H ILE 25 HN ILE 25 -5.004 -8.041 -0.692 197 HA ILE 25 HA ILE 25 -6.095 -10.679 -1.338 198 HB ILE 25 HB ILE 25 -7.170 -7.856 -1.639 199 HG12 ILE 25 2HG1 ILE 25 -8.011 -9.852 0.514 200 HG13 ILE 25 3HG1 ILE 25 -6.589 -8.859 0.712 201 HG21 ILE 25 1HG2 ILE 25 -9.389 -8.879 -1.846 202 HG22 ILE 25 2HG2 ILE 25 -8.328 -9.369 -3.170 203 HG23 ILE 25 3HG2 ILE 25 -8.658 -10.497 -1.831 204 HD11 ILE 25 3HD1 ILE 25 -8.254 -7.759 1.802 205 HD12 ILE 25 1HD1 ILE 25 -7.807 -6.824 0.361 206 HD13 ILE 25 2HD1 ILE 25 -9.319 -7.778 0.364 207 H THR 26 HN THR 26 -5.780 -7.614 -3.251 208 HA THR 26 HA THR 26 -5.324 -9.221 -5.659 209 HB THR 26 HB THR 26 -5.820 -7.186 -6.826 210 HG1 THR 26 HG1 THR 26 -5.900 -5.265 -5.897 211 HG21 THR 26 1HG2 THR 26 -7.746 -7.238 -4.451 212 HG22 THR 26 2HG2 THR 26 -8.092 -6.870 -6.143 213 HG23 THR 26 3HG2 THR 26 -7.708 -8.522 -5.676 214 H ASN 27 HN ASN 27 -3.400 -8.298 -3.287 215 HA ASN 27 HA ASN 27 -1.350 -7.574 -2.829 216 HB2 ASN 27 HB2 ASN 27 -0.611 -9.005 -5.349 217 HB3 ASN 27 HB3 ASN 27 0.473 -8.514 -4.031 218 HD21 ASN 27 1HD2 ASN 27 -1.963 -10.883 -4.981 219 HD22 ASN 27 2HD2 ASN 27 -1.643 -11.937 -3.611 220 H ALA 28 HN ALA 28 -2.940 -5.718 -4.857 221 HA ALA 28 HA ALA 28 -1.062 -4.283 -6.361 222 HB1 ALA 28 HB1 ALA 28 -2.692 -2.373 -6.141 223 HB2 ALA 28 HB2 ALA 28 -3.455 -3.888 -6.610 224 HB3 ALA 28 HB3 ALA 28 -3.585 -3.323 -4.933 225 H SER 29 HN SER 29 -0.099 -2.166 -5.972 226 HA SER 29 HA SER 29 0.423 -1.427 -3.152 227 HB2 SER 29 HB2 SER 29 2.879 -1.147 -4.081 228 HB3 SER 29 HB3 SER 29 2.320 -2.660 -3.374 229 HG SER 29 HG SER 29 2.241 -3.598 -5.322 230 H GLN 30 HN GLN 30 0.840 0.871 -2.913 231 HA GLN 30 HA GLN 30 0.962 2.731 -5.041 232 HB2 GLN 30 HB2 GLN 30 -1.710 1.572 -4.765 233 HB3 GLN 30 HB3 GLN 30 -1.766 3.267 -4.373 234 HG2 GLN 30 HG2 GLN 30 -0.814 3.930 -6.476 235 HG3 GLN 30 HG3 GLN 30 -0.585 2.242 -6.949 236 HE21 GLN 30 1HE2 GLN 30 -3.134 4.716 -6.177 237 HE22 GLN 30 2HE2 GLN 30 -4.361 3.919 -7.115 238 H TRP 31 HN TRP 31 -0.665 4.882 -3.996 239 HA TRP 31 HA TRP 31 0.923 5.399 -1.530 240 HB2 TRP 31 HB2 TRP 31 -0.113 7.419 -3.515 241 HB3 TRP 31 HB3 TRP 31 1.131 7.616 -2.317 242 HD1 TRP 31 HD1 TRP 31 0.975 8.096 -5.564 243 HE1 TRP 31 HE1 TRP 31 2.927 7.382 -7.017 244 HE3 TRP 31 HE3 TRP 31 3.172 4.800 -2.316 245 HZ2 TRP 31 HZ2 TRP 31 5.206 5.588 -6.799 246 HZ3 TRP 31 HZ3 TRP 31 5.222 3.606 -2.992 247 HH2 TRP 31 HH2 TRP 31 6.250 3.976 -5.219 248 H GLU 32 HN GLU 32 -2.326 5.481 -2.802 249 HA GLU 32 HA GLU 32 -3.169 7.710 -1.103 250 HB2 GLU 32 HB2 GLU 32 -4.912 5.974 -2.876 251 HB3 GLU 32 HB3 GLU 32 -5.278 7.562 -2.194 252 HG2 GLU 32 HG2 GLU 32 -4.522 8.375 -4.154 253 HG3 GLU 32 HG3 GLU 32 -2.912 8.138 -3.498 254 H ARG 33 HN ARG 33 -3.809 7.532 1.009 255 HA ARG 33 HA ARG 33 -3.673 5.082 2.363 256 HB2 ARG 33 HB2 ARG 33 -4.874 7.779 3.049 257 HB3 ARG 33 HB3 ARG 33 -4.947 6.443 4.197 258 HG2 ARG 33 HG2 ARG 33 -2.526 6.205 4.206 259 HG3 ARG 33 HG3 ARG 33 -2.366 7.375 2.891 260 HD2 ARG 33 HD2 ARG 33 -3.242 9.159 4.329 261 HD3 ARG 33 HD3 ARG 33 -3.388 8.014 5.674 262 HE ARG 33 HE ARG 33 -0.888 7.603 5.303 263 HH11 ARG 33 2HH2 ARG 33 -2.255 10.865 4.658 264 HH12 ARG 33 1HH2 ARG 33 -0.706 11.622 4.764 265 HH21 ARG 33 2HH1 ARG 33 1.017 8.592 5.460 266 HH22 ARG 33 1HH1 ARG 33 1.226 10.318 5.268 267 HA PRO 34 HA PRO 34 -7.432 3.444 0.769 268 HB2 PRO 34 HB2 PRO 34 -7.568 1.071 2.341 269 HB3 PRO 34 HB3 PRO 34 -6.995 1.352 0.692 270 HG2 PRO 34 HG2 PRO 34 -5.420 0.911 3.091 271 HG3 PRO 34 HG3 PRO 34 -4.915 0.813 1.432 272 HD2 PRO 34 HD2 PRO 34 -4.323 2.919 3.239 273 HD3 PRO 34 HD3 PRO 34 -4.075 2.978 1.495 274 H SER 35 HN SER 35 -7.512 2.438 4.228 275 HA SER 35 HA SER 35 -9.117 2.637 5.789 276 HB2 SER 35 HB2 SER 35 -9.046 5.505 4.794 277 HB3 SER 35 HB3 SER 35 -9.697 4.968 6.356 278 HG SER 35 HG SER 35 -7.644 4.036 6.797 279 H GLY 36 HN GLY 36 -10.205 1.883 3.064 280 HA2 GLY 36 HA1 GLY 36 -13.023 2.693 3.206 281 HA3 GLY 36 HA2 GLY 36 -12.325 1.409 2.209 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -13.442 10.552 -3.951 2 H2 GLY 1 H2 GLY 1 -13.100 12.119 -4.366 3 H3 GLY 1 H3 GLY 1 -13.355 10.984 -5.549 4 HA2 GLY 1 HA1 GLY 1 -11.059 11.471 -5.375 5 HA3 GLY 1 HA2 GLY 1 -11.129 11.016 -3.656 6 H SER 2 HN SER 2 -9.370 9.547 -4.542 7 HA SER 2 HA SER 2 -10.502 6.913 -5.214 8 HB2 SER 2 HB2 SER 2 -9.460 8.041 -7.267 9 HB3 SER 2 HB3 SER 2 -7.910 7.928 -6.414 10 HG SER 2 HG SER 2 -7.946 6.076 -7.443 11 H LYS 3 HN LYS 3 -10.506 6.849 -2.900 12 HA LYS 3 HA LYS 3 -7.926 6.671 -1.463 13 HB2 LYS 3 HB2 LYS 3 -10.835 6.027 -0.836 14 HB3 LYS 3 HB3 LYS 3 -9.544 5.302 0.118 15 HG2 LYS 3 HG2 LYS 3 -10.333 7.306 1.220 16 HG3 LYS 3 HG3 LYS 3 -8.654 7.478 0.734 17 HD2 LYS 3 HD2 LYS 3 -9.251 8.938 -1.099 18 HD3 LYS 3 HD3 LYS 3 -11.000 8.636 -0.849 19 HE2 LYS 3 HE2 LYS 3 -10.981 9.731 1.279 20 HE3 LYS 3 HE3 LYS 3 -9.218 9.645 1.375 21 HZ1 LYS 3 HZ1 LYS 3 -9.682 11.807 0.879 22 HZ2 LYS 3 HZ2 LYS 3 -9.196 11.208 -0.555 23 HZ3 LYS 3 HZ3 LYS 3 -10.815 11.494 -0.233 24 H LEU 4 HN LEU 4 -7.159 4.594 -0.757 25 HA LEU 4 HA LEU 4 -7.318 2.599 -2.910 26 HB2 LEU 4 HB2 LEU 4 -5.827 2.655 -0.295 27 HB3 LEU 4 HB3 LEU 4 -5.700 1.319 -1.402 28 HG LEU 4 HG LEU 4 -4.836 4.179 -1.873 29 HD11 LEU 4 1HD1 LEU 4 -3.415 2.982 -0.253 30 HD12 LEU 4 2HD1 LEU 4 -3.137 1.687 -1.418 31 HD13 LEU 4 3HD1 LEU 4 -2.534 3.335 -1.712 32 HD21 LEU 4 3HD2 LEU 4 -5.498 2.878 -3.958 33 HD22 LEU 4 1HD2 LEU 4 -3.881 3.525 -3.919 34 HD23 LEU 4 2HD2 LEU 4 -4.164 1.780 -3.602 35 HA PRO 5 HA PRO 5 -10.630 0.259 -1.337 36 HB2 PRO 5 HB2 PRO 5 -9.625 -2.416 -1.753 37 HB3 PRO 5 HB3 PRO 5 -10.569 -1.394 -2.868 38 HG2 PRO 5 HG2 PRO 5 -7.703 -2.060 -2.867 39 HG3 PRO 5 HG3 PRO 5 -8.700 -1.376 -4.180 40 HD2 PRO 5 HD2 PRO 5 -6.828 0.058 -2.666 41 HD3 PRO 5 HD3 PRO 5 -8.080 0.754 -3.626 42 HA PRO 6 HA PRO 6 -9.718 -1.789 2.735 43 HB2 PRO 6 HB2 PRO 6 -11.134 -4.102 2.856 44 HB3 PRO 6 HB3 PRO 6 -11.944 -2.510 2.915 45 HG2 PRO 6 HG2 PRO 6 -11.555 -4.290 0.485 46 HG3 PRO 6 HG3 PRO 6 -13.075 -3.543 1.073 47 HD2 PRO 6 HD2 PRO 6 -11.584 -2.407 -0.872 48 HD3 PRO 6 HD3 PRO 6 -12.427 -1.409 0.328 49 H GLY 7 HN GLY 7 -8.573 -3.868 3.580 50 HA2 GLY 7 HA1 GLY 7 -7.426 -5.854 3.311 51 HA3 GLY 7 HA2 GLY 7 -7.680 -5.773 1.571 52 H TRP 8 HN TRP 8 -6.077 -3.281 3.665 53 HA TRP 8 HA TRP 8 -3.564 -3.678 2.099 54 HB2 TRP 8 HB2 TRP 8 -4.925 -1.160 3.082 55 HB3 TRP 8 HB3 TRP 8 -3.275 -1.237 2.500 56 HD1 TRP 8 HD1 TRP 8 -6.859 -1.775 1.170 57 HE1 TRP 8 HE1 TRP 8 -6.931 -1.270 -1.261 58 HE3 TRP 8 HE3 TRP 8 -1.918 -0.968 0.449 59 HZ2 TRP 8 HZ2 TRP 8 -5.005 -0.902 -3.432 60 HZ3 TRP 8 HZ3 TRP 8 -1.006 -0.637 -1.859 61 HH2 TRP 8 HH2 TRP 8 -2.556 -0.686 -3.823 62 H GLU 9 HN GLU 9 -1.632 -3.034 3.150 63 HA GLU 9 HA GLU 9 -1.629 -2.369 5.953 64 HB2 GLU 9 HB2 GLU 9 -0.051 -4.700 4.744 65 HB3 GLU 9 HB3 GLU 9 0.319 -3.935 6.301 66 HG2 GLU 9 HG2 GLU 9 -1.959 -4.520 7.123 67 HG3 GLU 9 HG3 GLU 9 -2.314 -5.302 5.593 68 H LYS 10 HN LYS 10 0.640 -1.348 6.287 69 HA LYS 10 HA LYS 10 1.481 0.002 3.743 70 HB2 LYS 10 HB2 LYS 10 2.519 0.643 6.497 71 HB3 LYS 10 HB3 LYS 10 2.666 1.585 5.019 72 HG2 LYS 10 HG2 LYS 10 0.240 1.195 6.763 73 HG3 LYS 10 HG3 LYS 10 1.123 2.687 6.347 74 HD2 LYS 10 HD2 LYS 10 -0.310 3.158 4.808 75 HD3 LYS 10 HD3 LYS 10 0.121 1.676 3.955 76 HE2 LYS 10 HE2 LYS 10 -2.225 1.907 4.148 77 HE3 LYS 10 HE3 LYS 10 -1.639 0.444 4.957 78 HZ1 LYS 10 HZ1 LYS 10 -2.071 1.384 7.035 79 HZ2 LYS 10 HZ2 LYS 10 -2.112 2.936 6.474 80 HZ3 LYS 10 HZ3 LYS 10 -3.346 1.878 6.153 81 H ARG 11 HN ARG 11 3.645 -0.355 2.960 82 HA ARG 11 HA ARG 11 5.343 -2.187 4.452 83 HB2 ARG 11 HB2 ARG 11 3.980 -2.825 1.838 84 HB3 ARG 11 HB3 ARG 11 5.623 -3.389 2.095 85 HG2 ARG 11 HG2 ARG 11 3.443 -3.935 4.137 86 HG3 ARG 11 HG3 ARG 11 3.742 -4.975 2.772 87 HD2 ARG 11 HD2 ARG 11 5.935 -4.170 4.713 88 HD3 ARG 11 HD3 ARG 11 4.939 -5.633 4.882 89 HE ARG 11 HE ARG 11 5.912 -5.753 2.315 90 HH11 ARG 11 2HH2 ARG 11 7.216 -5.794 5.595 91 HH12 ARG 11 1HH2 ARG 11 8.650 -6.669 5.224 92 HH21 ARG 11 2HH1 ARG 11 7.636 -7.195 1.805 93 HH22 ARG 11 1HH1 ARG 11 8.664 -7.762 3.093 94 H MET 12 HN MET 12 7.505 -2.186 3.504 95 HA MET 12 HA MET 12 8.082 0.301 1.994 96 HB2 MET 12 HB2 MET 12 9.793 -1.225 3.958 97 HB3 MET 12 HB3 MET 12 10.359 0.106 2.946 98 HG2 MET 12 HG2 MET 12 8.650 1.598 3.923 99 HG3 MET 12 HG3 MET 12 8.125 0.283 4.983 100 HE1 MET 12 HE1 MET 12 8.357 1.779 7.036 101 HE2 MET 12 HE2 MET 12 9.764 2.790 7.413 102 HE3 MET 12 HE3 MET 12 8.808 3.109 5.952 103 H SER 13 HN SER 13 8.299 -0.216 -0.134 104 HA SER 13 HA SER 13 9.333 -2.787 -1.048 105 HB2 SER 13 HB2 SER 13 7.882 -1.208 -2.432 106 HB3 SER 13 HB3 SER 13 9.290 -0.156 -2.597 107 HG SER 13 HG SER 13 8.851 -1.705 -4.288 108 H ARG 14 HN ARG 14 11.507 -3.299 -1.221 109 HA ARG 14 HA ARG 14 13.216 -1.846 0.447 110 HB2 ARG 14 HB2 ARG 14 13.353 -4.355 -0.955 111 HB3 ARG 14 HB3 ARG 14 14.837 -3.481 -1.305 112 HG2 ARG 14 HG2 ARG 14 15.243 -4.769 0.682 113 HG3 ARG 14 HG3 ARG 14 15.139 -3.078 1.163 114 HD2 ARG 14 HD2 ARG 14 13.922 -4.242 2.808 115 HD3 ARG 14 HD3 ARG 14 12.673 -3.564 1.761 116 HE ARG 14 HE ARG 14 13.666 -6.381 1.588 117 HH11 ARG 14 2HH2 ARG 14 10.802 -4.225 1.944 118 HH12 ARG 14 1HH2 ARG 14 9.720 -5.383 1.286 119 HH21 ARG 14 2HH1 ARG 14 12.216 -7.943 1.094 120 HH22 ARG 14 1HH1 ARG 14 10.506 -7.701 1.045 121 H SER 15 HN SER 15 13.016 -1.577 -3.138 122 HA SER 15 HA SER 15 14.942 0.253 -3.658 123 HB2 SER 15 HB2 SER 15 13.241 1.154 -5.295 124 HB3 SER 15 HB3 SER 15 13.503 -0.603 -5.370 125 HG SER 15 HG SER 15 11.519 0.578 -3.743 126 H SER 16 HN SER 16 15.458 1.961 -2.369 127 HA SER 16 HA SER 16 15.436 3.765 -1.058 128 HB2 SER 16 HB2 SER 16 14.138 4.783 -2.890 129 HB3 SER 16 HB3 SER 16 12.645 4.255 -2.108 130 HG SER 16 HG SER 16 14.284 6.367 -1.536 131 H GLY 17 HN GLY 17 12.810 1.438 -0.545 132 HA2 GLY 17 HA1 GLY 17 11.653 0.901 1.391 133 HA3 GLY 17 HA2 GLY 17 12.548 2.135 2.311 134 H ARG 18 HN ARG 18 10.588 2.030 -0.712 135 HA ARG 18 HA ARG 18 9.282 4.594 0.065 136 HB2 ARG 18 HB2 ARG 18 8.632 2.706 -2.209 137 HB3 ARG 18 HB3 ARG 18 7.872 4.238 -1.868 138 HG2 ARG 18 HG2 ARG 18 10.127 5.365 -2.146 139 HG3 ARG 18 HG3 ARG 18 10.689 3.818 -2.838 140 HD2 ARG 18 HD2 ARG 18 8.881 3.934 -4.531 141 HD3 ARG 18 HD3 ARG 18 8.387 5.508 -3.901 142 HE ARG 18 HE ARG 18 10.602 4.875 -5.648 143 HH11 ARG 18 2HH2 ARG 18 9.535 7.405 -3.361 144 HH12 ARG 18 1HH2 ARG 18 10.972 8.353 -3.582 145 HH21 ARG 18 2HH1 ARG 18 12.139 6.261 -6.250 146 HH22 ARG 18 1HH1 ARG 18 12.355 7.827 -5.508 147 H VAL 19 HN VAL 19 7.113 4.708 0.506 148 HA VAL 19 HA VAL 19 6.048 2.297 1.792 149 HB VAL 19 HB VAL 19 6.495 4.464 2.992 150 HG11 VAL 19 1HG1 VAL 19 3.786 5.379 1.973 151 HG12 VAL 19 2HG1 VAL 19 4.842 6.171 3.136 152 HG13 VAL 19 3HG1 VAL 19 5.340 6.027 1.441 153 HG21 VAL 19 3HG2 VAL 19 4.591 4.109 4.526 154 HG22 VAL 19 1HG2 VAL 19 3.878 3.007 3.331 155 HG23 VAL 19 2HG2 VAL 19 5.442 2.626 4.057 156 H TYR 20 HN TYR 20 5.965 1.807 -0.668 157 HA TYR 20 HA TYR 20 3.659 2.619 -2.174 158 HB2 TYR 20 HB2 TYR 20 4.282 0.905 -3.696 159 HB3 TYR 20 HB3 TYR 20 5.799 1.574 -3.153 160 HD1 TYR 20 HD1 TYR 20 5.836 -0.035 -0.389 161 HD2 TYR 20 HD2 TYR 20 5.070 -1.222 -4.459 162 HE1 TYR 20 HE1 TYR 20 6.086 -2.399 0.256 163 HE2 TYR 20 HE2 TYR 20 5.283 -3.607 -3.773 164 HH TYR 20 HH TYR 20 5.330 -4.766 -0.671 165 H TYR 21 HN TYR 21 2.848 1.779 0.369 166 HA TYR 21 HA TYR 21 2.172 -0.077 1.798 167 HB2 TYR 21 HB2 TYR 21 0.048 0.587 -0.242 168 HB3 TYR 21 HB3 TYR 21 -0.227 -0.134 1.351 169 HD1 TYR 21 HD1 TYR 21 2.323 2.071 2.164 170 HD2 TYR 21 HD2 TYR 21 -1.843 2.049 1.029 171 HE1 TYR 21 HE1 TYR 21 2.117 4.265 2.932 172 HE2 TYR 21 HE2 TYR 21 -2.043 4.310 2.174 173 HH TYR 21 HH TYR 21 0.460 6.308 2.698 174 H PHE 22 HN PHE 22 0.313 -2.106 1.343 175 HA PHE 22 HA PHE 22 0.788 -3.347 -1.146 176 HB2 PHE 22 HB2 PHE 22 2.717 -4.314 -0.238 177 HB3 PHE 22 HB3 PHE 22 1.983 -4.585 1.320 178 HD1 PHE 22 HD1 PHE 22 2.055 -5.725 -2.231 179 HD2 PHE 22 HD2 PHE 22 0.927 -6.678 1.822 180 HE1 PHE 22 HE1 PHE 22 1.685 -8.089 -2.884 181 HE2 PHE 22 HE2 PHE 22 0.584 -9.052 1.161 182 HZ PHE 22 HZ PHE 22 0.896 -9.735 -1.191 183 H ASN 23 HN ASN 23 -1.214 -3.892 -1.641 184 HA ASN 23 HA ASN 23 -3.303 -4.497 0.351 185 HB2 ASN 23 HB2 ASN 23 -3.868 -3.473 -1.851 186 HB3 ASN 23 HB3 ASN 23 -3.401 -5.009 -2.612 187 HD21 ASN 23 1HD2 ASN 23 -5.964 -3.292 -1.048 188 HD22 ASN 23 2HD2 ASN 23 -7.067 -4.619 -0.897 189 H HIS 24 HN HIS 24 -3.764 -6.540 0.777 190 HA HIS 24 HA HIS 24 -1.777 -8.560 -0.176 191 HB2 HIS 24 HB2 HIS 24 -2.082 -9.492 2.156 192 HB3 HIS 24 HB3 HIS 24 -1.295 -7.927 2.104 193 HD1 HIS 24 HD1 HIS 24 -2.587 -5.899 3.205 194 HD2 HIS 24 HD2 HIS 24 -4.657 -9.571 3.185 195 HE1 HIS 24 HE1 HIS 24 -4.714 -5.586 4.623 196 H ILE 25 HN ILE 25 -5.008 -7.821 -0.256 197 HA ILE 25 HA ILE 25 -6.071 -10.553 -0.390 198 HB ILE 25 HB ILE 25 -7.279 -7.813 -0.991 199 HG12 ILE 25 2HG1 ILE 25 -6.673 -7.869 1.353 200 HG13 ILE 25 3HG1 ILE 25 -8.402 -7.942 1.177 201 HG21 ILE 25 1HG2 ILE 25 -9.452 -8.945 -0.819 202 HG22 ILE 25 2HG2 ILE 25 -8.482 -9.514 -2.174 203 HG23 ILE 25 3HG2 ILE 25 -8.619 -10.514 -0.715 204 HD11 ILE 25 3HD1 ILE 25 -7.671 -9.430 2.944 205 HD12 ILE 25 1HD1 ILE 25 -8.334 -10.406 1.623 206 HD13 ILE 25 2HD1 ILE 25 -6.573 -10.284 1.849 207 H THR 26 HN THR 26 -5.534 -7.688 -2.526 208 HA THR 26 HA THR 26 -5.639 -9.416 -4.874 209 HB THR 26 HB THR 26 -6.163 -7.463 -6.085 210 HG1 THR 26 HG1 THR 26 -4.861 -5.945 -5.605 211 HG21 THR 26 1HG2 THR 26 -8.065 -6.485 -4.972 212 HG22 THR 26 2HG2 THR 26 -7.976 -8.173 -4.449 213 HG23 THR 26 3HG2 THR 26 -7.432 -6.872 -3.369 214 H ASN 27 HN ASN 27 -3.277 -8.316 -2.881 215 HA ASN 27 HA ASN 27 -1.034 -8.228 -2.888 216 HB2 ASN 27 HB2 ASN 27 -0.809 -9.293 -5.646 217 HB3 ASN 27 HB3 ASN 27 0.258 -9.486 -4.248 218 HD21 ASN 27 1HD2 ASN 27 -1.851 -11.174 -6.129 219 HD22 ASN 27 2HD2 ASN 27 -2.479 -12.317 -4.974 220 H ALA 28 HN ALA 28 -2.652 -5.956 -4.052 221 HA ALA 28 HA ALA 28 -1.109 -4.578 -6.086 222 HB1 ALA 28 HB1 ALA 28 -3.613 -4.260 -5.510 223 HB2 ALA 28 HB2 ALA 28 -3.060 -3.309 -4.130 224 HB3 ALA 28 HB3 ALA 28 -2.660 -2.801 -5.773 225 H SER 29 HN SER 29 -0.361 -2.176 -5.609 226 HA SER 29 HA SER 29 0.503 -1.635 -2.926 227 HB2 SER 29 HB2 SER 29 2.924 -1.218 -4.069 228 HB3 SER 29 HB3 SER 29 2.489 -2.587 -3.060 229 HG SER 29 HG SER 29 2.205 -3.848 -4.795 230 H GLN 30 HN GLN 30 0.918 0.773 -2.738 231 HA GLN 30 HA GLN 30 0.725 2.510 -4.980 232 HB2 GLN 30 HB2 GLN 30 -1.791 1.346 -3.949 233 HB3 GLN 30 HB3 GLN 30 -1.790 3.068 -3.781 234 HG2 GLN 30 HG2 GLN 30 -0.870 2.013 -6.420 235 HG3 GLN 30 HG3 GLN 30 -2.577 1.837 -6.006 236 HE21 GLN 30 1HE2 GLN 30 -3.871 3.605 -6.590 237 HE22 GLN 30 2HE2 GLN 30 -3.274 5.241 -6.771 238 H TRP 31 HN TRP 31 -0.165 4.738 -4.195 239 HA TRP 31 HA TRP 31 1.369 5.397 -1.756 240 HB2 TRP 31 HB2 TRP 31 0.485 7.264 -3.969 241 HB3 TRP 31 HB3 TRP 31 1.829 7.433 -2.867 242 HD1 TRP 31 HD1 TRP 31 0.981 6.495 -6.283 243 HE1 TRP 31 HE1 TRP 31 2.898 5.329 -7.529 244 HE3 TRP 31 HE3 TRP 31 4.010 5.362 -2.289 245 HZ2 TRP 31 HZ2 TRP 31 5.332 3.984 -6.882 246 HZ3 TRP 31 HZ3 TRP 31 5.990 4.027 -2.626 247 HH2 TRP 31 HH2 TRP 31 6.715 3.311 -4.927 248 H GLU 32 HN GLU 32 -1.849 5.665 -3.039 249 HA GLU 32 HA GLU 32 -2.776 7.936 -1.434 250 HB2 GLU 32 HB2 GLU 32 -3.829 6.210 -3.557 251 HB3 GLU 32 HB3 GLU 32 -5.016 6.375 -2.278 252 HG2 GLU 32 HG2 GLU 32 -3.598 8.766 -3.519 253 HG3 GLU 32 HG3 GLU 32 -5.092 8.100 -4.159 254 H ARG 33 HN ARG 33 -4.964 7.311 -0.024 255 HA ARG 33 HA ARG 33 -3.813 5.501 2.044 256 HB2 ARG 33 HB2 ARG 33 -4.182 7.887 2.618 257 HB3 ARG 33 HB3 ARG 33 -5.917 7.598 2.463 258 HG2 ARG 33 HG2 ARG 33 -5.831 5.894 4.223 259 HG3 ARG 33 HG3 ARG 33 -4.070 5.996 4.310 260 HD2 ARG 33 HD2 ARG 33 -4.083 8.033 5.437 261 HD3 ARG 33 HD3 ARG 33 -5.627 8.518 4.752 262 HE ARG 33 HE ARG 33 -6.830 7.281 6.263 263 HH11 ARG 33 2HH2 ARG 33 -3.346 6.947 7.029 264 HH12 ARG 33 1HH2 ARG 33 -3.656 6.367 8.632 265 HH21 ARG 33 2HH1 ARG 33 -7.185 6.410 8.250 266 HH22 ARG 33 1HH1 ARG 33 -5.904 5.867 9.295 267 HA PRO 34 HA PRO 34 -7.273 2.802 1.092 268 HB2 PRO 34 HB2 PRO 34 -6.289 1.190 3.421 269 HB3 PRO 34 HB3 PRO 34 -6.645 0.678 1.748 270 HG2 PRO 34 HG2 PRO 34 -4.092 0.976 2.525 271 HG3 PRO 34 HG3 PRO 34 -4.612 1.463 0.935 272 HD2 PRO 34 HD2 PRO 34 -4.215 3.174 3.392 273 HD3 PRO 34 HD3 PRO 34 -3.740 3.470 1.697 274 H SER 35 HN SER 35 -8.887 1.448 2.379 275 HA SER 35 HA SER 35 -10.841 1.472 3.406 276 HB2 SER 35 HB2 SER 35 -9.204 1.446 5.431 277 HB3 SER 35 HB3 SER 35 -9.806 3.082 5.722 278 HG SER 35 HG SER 35 -10.991 1.544 6.840 279 H GLY 36 HN GLY 36 -11.337 2.794 1.511 280 HA2 GLY 36 HA1 GLY 36 -11.575 5.665 1.630 281 HA3 GLY 36 HA2 GLY 36 -12.324 4.572 0.443
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