NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16767 | 2aqe | 6781 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 22.394 -15.667 -4.221 2 2H GLY 1 HT2 GLY 1 21.167 -14.858 -3.370 3 3H GLY 1 HT3 GLY 1 20.799 -16.249 -4.272 4 1HA GLY 1 HA1 GLY 1 21.682 -17.677 -2.746 5 2HA GLY 1 HA2 GLY 1 22.792 -16.453 -2.131 6 H SER 2 HN SER 2 21.916 -14.784 -0.727 7 HA SER 2 HA SER 2 19.607 -15.759 0.857 8 1HB SER 2 HB1 SER 2 22.083 -14.621 1.404 9 2HB SER 2 HB2 SER 2 20.969 -13.277 1.654 10 HG SER 2 HG SER 2 20.820 -14.249 3.540 11 H ASN 3 HN ASN 3 17.807 -14.352 1.350 12 HA ASN 3 HA ASN 3 16.743 -12.854 -0.819 13 1HB ASN 3 HB2 ASN 3 16.190 -12.818 2.171 14 2HB ASN 3 HB1 ASN 3 15.121 -12.111 0.960 15 1HD2 ASN 3 HD21 ASN 3 14.044 -14.154 2.497 16 2HD2 ASN 3 HD22 ASN 3 13.905 -15.576 1.581 17 H SER 4 HN SER 4 16.981 -10.716 -1.406 18 HA SER 4 HA SER 4 18.543 -8.944 0.446 19 1HB SER 4 HB2 SER 4 19.664 -8.104 -1.505 20 2HB SER 4 HB1 SER 4 19.626 -9.856 -1.703 21 HG SER 4 HG SER 4 18.085 -9.683 -3.200 22 H GLY 5 HN GLY 5 17.764 -6.826 0.687 23 1HA GLY 5 HA1 GLY 5 15.407 -6.026 -0.946 24 2HA GLY 5 HA2 GLY 5 15.279 -5.983 0.813 25 H ARG 6 HN ARG 6 17.559 -4.862 -1.721 26 HA ARG 6 HA ARG 6 17.483 -2.150 -0.509 27 1HB ARG 6 HB1 ARG 6 19.400 -4.027 0.191 28 2HB ARG 6 HB2 ARG 6 20.202 -3.124 -1.094 29 1HG ARG 6 HG2 ARG 6 19.278 -1.026 0.208 30 2HG ARG 6 HG1 ARG 6 19.196 -2.151 1.563 31 1HD ARG 6 HD1 ARG 6 21.450 -2.084 1.841 32 2HD ARG 6 HD2 ARG 6 21.729 -2.376 0.114 33 HE ARG 6 HE ARG 6 20.702 0.284 0.508 34 1HH1 ARG 6 HH21 ARG 6 23.567 -1.648 0.932 35 2HH1 ARG 6 HH22 ARG 6 24.634 -0.296 0.784 36 1HH2 ARG 6 HH11 ARG 6 22.108 2.023 0.320 37 2HH2 ARG 6 HH12 ARG 6 23.817 1.768 0.440 38 H ARG 7 HN ARG 7 18.327 -0.519 -1.984 39 HA ARG 7 HA ARG 7 18.844 -1.487 -4.771 40 1HB ARG 7 HB2 ARG 7 16.457 -0.499 -3.917 41 2HB ARG 7 HB1 ARG 7 17.262 1.002 -4.373 42 1HG ARG 7 HG2 ARG 7 16.359 0.413 -6.421 43 2HG ARG 7 HG1 ARG 7 17.907 -0.426 -6.531 44 1HD ARG 7 HD2 ARG 7 16.320 -2.267 -5.196 45 2HD ARG 7 HD1 ARG 7 15.198 -1.548 -6.367 46 HE ARG 7 HE ARG 7 17.552 -3.157 -7.014 47 1HH1 ARG 7 HH21 ARG 7 15.415 -0.624 -8.081 48 2HH1 ARG 7 HH22 ARG 7 15.754 -0.893 -9.755 49 1HH2 ARG 7 HH11 ARG 7 17.975 -3.487 -9.195 50 2HH2 ARG 7 HH12 ARG 7 17.190 -2.500 -10.383 51 H SER 8 HN SER 8 19.220 0.917 -6.014 52 HA SER 8 HA SER 8 21.470 2.155 -4.462 53 1HB SER 8 HB1 SER 8 21.076 1.203 -7.266 54 2HB SER 8 HB2 SER 8 22.065 2.649 -7.054 55 HG SER 8 HG SER 8 23.095 0.457 -6.921 56 H ALA 9 HN ALA 9 18.716 2.742 -6.610 57 HA ALA 9 HA ALA 9 19.063 5.523 -7.075 58 1HB ALA 9 HB1 ALA 9 17.302 3.576 -7.777 59 2HB ALA 9 HB2 ALA 9 16.964 5.293 -8.003 60 3HB ALA 9 HB3 ALA 9 16.327 4.447 -6.592 61 HA PRO 10 HA PRO 10 18.198 7.429 -3.205 62 1HB PRO 10 HB1 PRO 10 16.840 9.664 -3.964 63 2HB PRO 10 HB2 PRO 10 18.538 9.403 -4.396 64 1HG PRO 10 HG2 PRO 10 16.147 8.849 -6.057 65 2HG PRO 10 HG1 PRO 10 17.581 9.806 -6.454 66 1HD PRO 10 HD2 PRO 10 17.363 7.288 -7.194 67 2HD PRO 10 HD1 PRO 10 18.906 7.924 -6.658 68 HA PRO 11 HA PRO 11 14.052 5.692 -2.610 69 1HB PRO 11 HB1 PRO 11 14.733 5.647 0.240 70 2HB PRO 11 HB2 PRO 11 14.427 4.282 -0.845 71 1HG PRO 11 HG1 PRO 11 16.872 4.880 0.188 72 2HG PRO 11 HG2 PRO 11 16.629 4.024 -1.340 73 1HD PRO 11 HD2 PRO 11 17.376 6.868 -0.860 74 2HD PRO 11 HD1 PRO 11 17.889 5.762 -2.150 75 H LEU 12 HN LEU 12 12.759 6.267 -0.141 76 HA LEU 12 HA LEU 12 12.708 9.254 -0.045 77 1HB LEU 12 HB1 LEU 12 10.466 7.282 -0.518 78 2HB LEU 12 HB2 LEU 12 10.152 8.922 0.048 79 HG LEU 12 HG LEU 12 11.814 9.483 -2.000 80 1HD1 LEU 12 HD21 LEU 12 10.756 6.743 -2.449 81 2HD1 LEU 12 HD22 LEU 12 12.229 7.496 -3.060 82 3HD1 LEU 12 HD23 LEU 12 10.680 7.843 -3.827 83 1HD2 LEU 12 HD11 LEU 12 8.833 9.047 -1.934 84 2HD2 LEU 12 HD12 LEU 12 9.625 9.636 -3.395 85 3HD2 LEU 12 HD13 LEU 12 9.728 10.567 -1.901 86 H ASN 13 HN ASN 13 10.570 6.882 1.453 87 HA ASN 13 HA ASN 13 11.718 7.611 4.128 88 1HB ASN 13 HB2 ASN 13 8.841 7.251 3.219 89 2HB ASN 13 HB1 ASN 13 9.318 7.471 4.902 90 1HD2 ASN 13 HD21 ASN 13 9.188 9.614 5.566 91 2HD2 ASN 13 HD22 ASN 13 9.396 10.965 4.560 92 H LEU 14 HN LEU 14 11.760 5.151 2.109 93 HA LEU 14 HA LEU 14 11.032 3.088 4.167 94 1HB LEU 14 HB2 LEU 14 10.425 3.482 1.356 95 2HB LEU 14 HB1 LEU 14 11.249 1.940 1.590 96 HG LEU 14 HG LEU 14 9.616 1.478 3.483 97 1HD1 LEU 14 HD11 LEU 14 7.584 2.797 3.584 98 2HD1 LEU 14 HD12 LEU 14 8.098 3.770 2.205 99 3HD1 LEU 14 HD13 LEU 14 8.956 3.893 3.741 100 1HD2 LEU 14 HD21 LEU 14 9.048 0.237 1.631 101 2HD2 LEU 14 HD22 LEU 14 8.941 1.652 0.583 102 3HD2 LEU 14 HD23 LEU 14 7.631 1.283 1.706 103 H THR 15 HN THR 15 13.599 4.547 3.876 104 HA THR 15 HA THR 15 15.378 2.248 3.134 105 HB THR 15 HB THR 15 15.690 4.019 1.551 106 HG1 THR 15 HG1 THR 15 17.638 3.275 2.415 107 1HG2 THR 15 HG21 THR 15 15.683 5.875 3.951 108 2HG2 THR 15 HG22 THR 15 14.473 5.797 2.668 109 3HG2 THR 15 HG23 THR 15 16.101 6.382 2.314 110 H GLY 16 HN GLY 16 16.473 1.446 4.866 111 1HA GLY 16 HA2 GLY 16 17.837 1.542 6.819 112 2HA GLY 16 HA1 GLY 16 17.481 3.265 6.950 113 H LEU 17 HN LEU 17 14.837 1.058 6.465 114 HA LEU 17 HA LEU 17 14.178 1.166 9.382 115 1HB LEU 17 HB1 LEU 17 12.274 1.740 7.088 116 2HB LEU 17 HB2 LEU 17 11.941 1.931 8.802 117 HG LEU 17 HG LEU 17 14.092 3.471 7.328 118 1HD1 LEU 17 HD21 LEU 17 12.583 5.106 6.831 119 2HD1 LEU 17 HD22 LEU 17 11.689 4.870 8.333 120 3HD1 LEU 17 HD23 LEU 17 11.402 3.803 6.959 121 1HD2 LEU 17 HD11 LEU 17 12.805 4.079 9.994 122 2HD2 LEU 17 HD12 LEU 17 14.304 4.732 9.333 123 3HD2 LEU 17 HD13 LEU 17 14.232 3.052 9.865 124 HA PRO 18 HA PRO 18 12.687 -2.919 8.575 125 1HB PRO 18 HB1 PRO 18 10.893 -3.252 10.567 126 2HB PRO 18 HB2 PRO 18 12.591 -2.892 10.936 127 1HG PRO 18 HG2 PRO 18 10.207 -1.119 11.023 128 2HG PRO 18 HG1 PRO 18 11.649 -1.118 12.049 129 1HD PRO 18 HD1 PRO 18 11.121 0.555 9.836 130 2HD PRO 18 HD2 PRO 18 12.662 0.407 10.703 131 H GLY 19 HN GLY 19 11.006 -4.162 7.595 132 1HA GLY 19 HA2 GLY 19 8.695 -4.540 6.950 133 2HA GLY 19 HA1 GLY 19 8.384 -2.820 7.179 134 H THR 20 HN THR 20 10.576 -1.773 5.716 135 HA THR 20 HA THR 20 9.634 -1.547 3.101 136 HB THR 20 HB THR 20 12.500 -1.585 4.116 137 HG1 THR 20 HG1 THR 20 11.909 0.161 5.078 138 1HG2 THR 20 HG21 THR 20 13.118 -0.388 2.179 139 2HG2 THR 20 HG22 THR 20 11.446 0.015 1.787 140 3HG2 THR 20 HG23 THR 20 12.032 -1.633 1.561 141 H GLU 21 HN GLU 21 11.671 -4.083 4.469 142 HA GLU 21 HA GLU 21 12.291 -5.352 1.928 143 1HB GLU 21 HB2 GLU 21 13.472 -5.441 4.256 144 2HB GLU 21 HB1 GLU 21 12.240 -6.631 4.677 145 1HG GLU 21 HG1 GLU 21 13.102 -8.230 3.281 146 2HG GLU 21 HG2 GLU 21 13.629 -7.048 2.082 147 H LYS 22 HN LYS 22 9.938 -5.967 4.551 148 HA LYS 22 HA LYS 22 8.747 -8.327 3.550 149 1HB LYS 22 HB1 LYS 22 7.745 -5.929 5.107 150 2HB LYS 22 HB2 LYS 22 6.709 -7.321 4.792 151 1HG LYS 22 HG1 LYS 22 8.169 -8.795 5.979 152 2HG LYS 22 HG2 LYS 22 9.450 -7.584 6.039 153 1HD LYS 22 HD2 LYS 22 8.546 -6.558 7.852 154 2HD LYS 22 HD1 LYS 22 6.909 -6.672 7.207 155 1HE LYS 22 HE1 LYS 22 6.612 -8.234 8.859 156 2HE LYS 22 HE2 LYS 22 7.496 -9.316 7.766 157 1HZ LYS 22 HZ1 LYS 22 9.578 -8.403 8.741 158 2HZ LYS 22 HZ2 LYS 22 8.640 -9.277 9.855 159 3HZ LYS 22 HZ3 LYS 22 8.640 -7.579 9.893 160 H LEU 23 HN LEU 23 8.509 -5.016 2.445 161 HA LEU 23 HA LEU 23 6.117 -5.438 0.808 162 1HB LEU 23 HB2 LEU 23 8.273 -3.292 0.720 163 2HB LEU 23 HB1 LEU 23 6.648 -3.163 0.052 164 HG LEU 23 HG LEU 23 7.332 -3.508 2.987 165 1HD1 LEU 23 HD21 LEU 23 6.759 -1.173 1.234 166 2HD1 LEU 23 HD22 LEU 23 7.736 -1.264 2.699 167 3HD1 LEU 23 HD23 LEU 23 5.978 -1.178 2.815 168 1HD2 LEU 23 HD11 LEU 23 5.248 -4.497 2.872 169 2HD2 LEU 23 HD12 LEU 23 4.792 -3.608 1.418 170 3HD2 LEU 23 HD13 LEU 23 4.752 -2.808 2.989 171 H ASN 24 HN ASN 24 6.121 -6.238 -1.281 172 HA ASN 24 HA ASN 24 8.553 -7.328 -2.434 173 1HB ASN 24 HB2 ASN 24 5.720 -6.856 -3.423 174 2HB ASN 24 HB1 ASN 24 6.934 -7.718 -4.367 175 1HD2 ASN 24 HD22 ASN 24 8.191 -9.377 -2.622 176 2HD2 ASN 24 HD21 ASN 24 7.095 -10.399 -1.825 177 H GLU 25 HN GLU 25 9.313 -6.638 -4.667 178 HA GLU 25 HA GLU 25 10.150 -3.965 -4.812 179 1HB GLU 25 HB2 GLU 25 10.612 -6.196 -6.212 180 2HB GLU 25 HB1 GLU 25 9.447 -5.470 -7.319 181 1HG GLU 25 HG1 GLU 25 10.809 -3.594 -7.718 182 2HG GLU 25 HG2 GLU 25 11.754 -3.853 -6.252 183 H LYS 26 HN LYS 26 7.053 -5.353 -5.726 184 HA LYS 26 HA LYS 26 6.110 -3.071 -7.264 185 1HB LYS 26 HB1 LYS 26 5.032 -5.586 -6.039 186 2HB LYS 26 HB2 LYS 26 3.871 -4.336 -6.488 187 1HG LYS 26 HG1 LYS 26 5.918 -4.825 -8.540 188 2HG LYS 26 HG2 LYS 26 4.905 -6.231 -8.211 189 1HD LYS 26 HD1 LYS 26 2.896 -4.987 -8.670 190 2HD LYS 26 HD2 LYS 26 3.785 -3.465 -8.730 191 1HE LYS 26 HE1 LYS 26 5.145 -4.692 -10.649 192 2HE LYS 26 HE2 LYS 26 3.671 -5.673 -10.764 193 1HZ LYS 26 HZ1 LYS 26 3.664 -2.703 -10.657 194 2HZ LYS 26 HZ2 LYS 26 2.356 -3.724 -11.016 195 3HZ LYS 26 HZ3 LYS 26 3.643 -3.574 -12.114 196 H GLU 27 HN GLU 27 5.568 -4.231 -3.919 197 HA GLU 27 HA GLU 27 4.048 -1.886 -3.114 198 1HB GLU 27 HB2 GLU 27 5.530 -4.078 -1.614 199 2HB GLU 27 HB1 GLU 27 4.453 -2.912 -0.845 200 1HG GLU 27 HG2 GLU 27 2.759 -3.730 -2.706 201 2HG GLU 27 HG1 GLU 27 3.792 -5.160 -2.716 202 H LYS 28 HN LYS 28 7.437 -2.891 -2.978 203 HA LYS 28 HA LYS 28 8.558 -0.951 -1.269 204 1HB LYS 28 HB1 LYS 28 9.412 -2.381 -3.787 205 2HB LYS 28 HB2 LYS 28 10.515 -1.261 -3.000 206 1HG LYS 28 HG2 LYS 28 10.121 -2.578 -0.845 207 2HG LYS 28 HG1 LYS 28 9.302 -3.779 -1.844 208 1HD LYS 28 HD1 LYS 28 11.459 -4.629 -1.872 209 2HD LYS 28 HD2 LYS 28 11.519 -3.586 -3.294 210 1HE LYS 28 HE2 LYS 28 12.915 -2.064 -2.273 211 2HE LYS 28 HE1 LYS 28 12.171 -2.303 -0.680 212 1HZ LYS 28 HZ1 LYS 28 13.248 -4.389 -0.449 213 2HZ LYS 28 HZ2 LYS 28 14.449 -3.297 -0.948 214 3HZ LYS 28 HZ3 LYS 28 13.775 -4.385 -2.064 215 H GLU 29 HN GLU 29 8.336 -0.726 -4.844 216 HA GLU 29 HA GLU 29 8.973 2.065 -4.993 217 1HB GLU 29 HB2 GLU 29 7.982 -0.131 -6.695 218 2HB GLU 29 HB1 GLU 29 7.415 1.459 -7.205 219 1HG GLU 29 HG1 GLU 29 9.774 2.275 -7.140 220 2HG GLU 29 HG2 GLU 29 10.299 0.638 -6.743 221 H LEU 30 HN LEU 30 5.956 0.301 -4.501 222 HA LEU 30 HA LEU 30 4.042 2.318 -5.020 223 1HB LEU 30 HB2 LEU 30 4.036 -0.239 -4.143 224 2HB LEU 30 HB1 LEU 30 3.760 0.576 -2.605 225 HG LEU 30 HG LEU 30 2.140 1.273 -5.054 226 1HD1 LEU 30 HD21 LEU 30 2.114 -1.212 -3.547 227 2HD1 LEU 30 HD22 LEU 30 1.202 -0.777 -4.992 228 3HD1 LEU 30 HD23 LEU 30 0.576 -0.363 -3.396 229 1HD2 LEU 30 HD11 LEU 30 0.580 1.473 -2.784 230 2HD2 LEU 30 HD12 LEU 30 1.447 2.813 -3.537 231 3HD2 LEU 30 HD13 LEU 30 2.175 1.938 -2.190 232 H CYS 31 HN CYS 31 6.015 1.708 -2.118 233 HA CYS 31 HA CYS 31 4.839 3.954 -0.624 234 1HB CYS 31 HB2 CYS 31 6.202 1.608 -0.071 235 2HB CYS 31 HB1 CYS 31 7.441 2.832 0.199 236 HG CYS 31 HG CYS 31 5.395 2.254 2.183 237 H GLN 32 HN GLN 32 7.931 3.276 -2.299 238 HA GLN 32 HA GLN 32 9.293 5.681 -1.697 239 1HB GLN 32 HB2 GLN 32 9.294 3.599 -3.839 240 2HB GLN 32 HB1 GLN 32 10.174 5.089 -4.180 241 1HG GLN 32 HG1 GLN 32 11.059 4.643 -1.678 242 2HG GLN 32 HG2 GLN 32 10.728 2.977 -2.151 243 1HE2 GLN 32 HE21 GLN 32 13.240 2.901 -1.978 244 2HE2 GLN 32 HE22 GLN 32 14.117 3.317 -3.370 245 H VAL 33 HN VAL 33 6.605 5.095 -3.843 246 HA VAL 33 HA VAL 33 6.900 7.652 -5.287 247 HB VAL 33 HB VAL 33 4.663 5.591 -5.142 248 1HG1 VAL 33 HG11 VAL 33 4.139 7.949 -6.002 249 2HG1 VAL 33 HG12 VAL 33 3.771 6.618 -7.099 250 3HG1 VAL 33 HG13 VAL 33 5.225 7.586 -7.343 251 1HG2 VAL 33 HG21 VAL 33 5.802 4.320 -6.634 252 2HG2 VAL 33 HG22 VAL 33 7.221 5.238 -6.128 253 3HG2 VAL 33 HG23 VAL 33 6.319 5.727 -7.563 254 H VAL 34 HN VAL 34 4.315 6.199 -3.292 255 HA VAL 34 HA VAL 34 3.376 8.860 -2.450 256 HB VAL 34 HB VAL 34 1.854 6.952 -2.963 257 1HG1 VAL 34 HG11 VAL 34 3.736 5.471 -1.517 258 2HG1 VAL 34 HG12 VAL 34 2.206 4.883 -2.170 259 3HG1 VAL 34 HG13 VAL 34 2.288 5.474 -0.510 260 1HG2 VAL 34 HG21 VAL 34 0.650 6.970 -0.663 261 2HG2 VAL 34 HG22 VAL 34 0.866 8.508 -1.499 262 3HG2 VAL 34 HG23 VAL 34 1.938 8.071 -0.172 263 H ARG 35 HN ARG 35 5.473 9.423 -1.445 264 HA ARG 35 HA ARG 35 7.132 8.383 0.341 265 1HB ARG 35 HB1 ARG 35 5.614 10.974 0.384 266 2HB ARG 35 HB2 ARG 35 6.763 10.637 1.678 267 1HG ARG 35 HG1 ARG 35 8.515 10.191 -0.038 268 2HG ARG 35 HG2 ARG 35 7.360 10.628 -1.297 269 1HD ARG 35 HD1 ARG 35 8.613 12.626 -0.888 270 2HD ARG 35 HD2 ARG 35 7.095 12.864 -0.003 271 HE ARG 35 HE ARG 35 8.703 11.566 1.831 272 1HH1 ARG 35 HH12 ARG 35 9.083 14.401 -0.154 273 2HH1 ARG 35 HH11 ARG 35 10.139 15.182 0.972 274 1HH2 ARG 35 HH22 ARG 35 10.076 12.601 3.276 275 2HH2 ARG 35 HH21 ARG 35 10.698 14.173 2.899 276 H LEU 36 HN LEU 36 6.267 6.576 1.480 277 HA LEU 36 HA LEU 36 4.761 7.296 3.967 278 1HB LEU 36 HB1 LEU 36 3.967 5.692 1.697 279 2HB LEU 36 HB2 LEU 36 4.075 4.663 3.118 280 HG LEU 36 HG LEU 36 2.834 7.081 3.949 281 1HD1 LEU 36 HD21 LEU 36 1.746 5.953 1.358 282 2HD1 LEU 36 HD22 LEU 36 2.270 7.608 1.666 283 3HD1 LEU 36 HD23 LEU 36 0.810 6.988 2.436 284 1HD2 LEU 36 HD11 LEU 36 2.568 4.450 4.442 285 2HD2 LEU 36 HD12 LEU 36 1.195 4.668 3.356 286 3HD2 LEU 36 HD13 LEU 36 1.306 5.616 4.839 287 H VAL 37 HN VAL 37 4.790 4.985 5.294 288 HA VAL 37 HA VAL 37 7.625 4.012 5.233 289 HB VAL 37 HB VAL 37 7.198 3.749 7.794 290 1HG1 VAL 37 HG21 VAL 37 8.124 5.898 8.184 291 2HG1 VAL 37 HG22 VAL 37 7.299 6.594 6.789 292 3HG1 VAL 37 HG23 VAL 37 8.644 5.477 6.552 293 1HG2 VAL 37 HG11 VAL 37 5.391 4.731 8.760 294 2HG2 VAL 37 HG12 VAL 37 4.674 4.523 7.165 295 3HG2 VAL 37 HG13 VAL 37 5.381 6.072 7.614 296 HA PRO 38 HA PRO 38 6.122 -0.029 4.895 297 1HB PRO 38 HB1 PRO 38 7.749 -0.961 7.194 298 2HB PRO 38 HB2 PRO 38 7.829 -1.429 5.493 299 1HG PRO 38 HG2 PRO 38 9.684 0.133 6.674 300 2HG PRO 38 HG1 PRO 38 9.264 0.257 4.960 301 1HD PRO 38 HD1 PRO 38 8.555 2.047 7.216 302 2HD PRO 38 HD2 PRO 38 8.815 2.428 5.500 303 H GLY 39 HN GLY 39 6.685 0.014 8.436 304 1HA GLY 39 HA1 GLY 39 4.544 -1.607 9.138 305 2HA GLY 39 HA2 GLY 39 5.182 -0.365 10.203 306 H ALA 40 HN ALA 40 4.425 1.861 8.409 307 HA ALA 40 HA ALA 40 1.655 2.143 9.312 308 1HB ALA 40 HB1 ALA 40 3.695 3.842 8.867 309 2HB ALA 40 HB2 ALA 40 2.011 4.360 8.834 310 3HB ALA 40 HB3 ALA 40 2.850 4.001 7.327 311 H TYR 41 HN TYR 41 3.184 2.271 6.061 312 HA TYR 41 HA TYR 41 0.846 2.117 4.486 313 1HB TYR 41 HB2 TYR 41 3.089 2.514 3.606 314 2HB TYR 41 HB1 TYR 41 3.627 0.928 4.149 315 HD1 TYR 41 HD1 TYR 41 2.786 -1.131 3.057 316 HD2 TYR 41 HD2 TYR 41 1.775 2.777 1.593 317 HE1 TYR 41 HE1 TYR 41 2.033 -2.130 0.916 318 HE2 TYR 41 HE2 TYR 41 1.022 1.780 -0.550 319 HH TYR 41 HH TYR 41 0.287 -0.308 -1.444 320 H LEU 42 HN LEU 42 2.655 -0.407 6.172 321 HA LEU 42 HA LEU 42 1.163 -2.657 5.116 322 1HB LEU 42 HB2 LEU 42 3.045 -2.045 7.386 323 2HB LEU 42 HB1 LEU 42 2.182 -3.583 7.394 324 HG LEU 42 HG LEU 42 3.308 -2.969 4.770 325 1HD1 LEU 42 HD21 LEU 42 4.963 -2.537 7.147 326 2HD1 LEU 42 HD22 LEU 42 5.304 -2.152 5.460 327 3HD1 LEU 42 HD23 LEU 42 5.624 -3.773 6.077 328 1HD2 LEU 42 HD11 LEU 42 4.330 -5.284 5.282 329 2HD2 LEU 42 HD12 LEU 42 2.570 -5.177 5.210 330 3HD2 LEU 42 HD13 LEU 42 3.391 -5.223 6.774 331 H GLU 43 HN GLU 43 0.745 -0.366 7.748 332 HA GLU 43 HA GLU 43 -1.355 -1.856 9.128 333 1HB GLU 43 HB2 GLU 43 0.287 0.343 9.607 334 2HB GLU 43 HB1 GLU 43 -1.304 1.073 9.397 335 1HG GLU 43 HG1 GLU 43 -2.183 0.029 11.256 336 2HG GLU 43 HG2 GLU 43 -1.131 -1.377 11.093 337 H TYR 44 HN TYR 44 -1.402 1.171 7.204 338 HA TYR 44 HA TYR 44 -4.181 1.426 6.834 339 1HB TYR 44 HB1 TYR 44 -1.734 2.042 5.158 340 2HB TYR 44 HB2 TYR 44 -3.346 2.506 4.613 341 HD1 TYR 44 HD1 TYR 44 -4.816 3.544 6.694 342 HD2 TYR 44 HD2 TYR 44 -0.547 3.703 6.269 343 HE1 TYR 44 HE1 TYR 44 -4.745 5.523 8.182 344 HE2 TYR 44 HE2 TYR 44 -0.472 5.682 7.760 345 HH TYR 44 HH TYR 44 -2.322 6.534 9.776 346 H LYS 45 HN LYS 45 -1.850 -0.194 4.661 347 HA LYS 45 HA LYS 45 -3.709 -1.340 2.854 348 1HB LYS 45 HB1 LYS 45 -1.151 -1.177 2.771 349 2HB LYS 45 HB2 LYS 45 -1.113 -2.558 3.867 350 1HG LYS 45 HG2 LYS 45 -2.883 -3.390 1.934 351 2HG LYS 45 HG1 LYS 45 -1.711 -2.472 0.992 352 1HD LYS 45 HD1 LYS 45 0.096 -3.825 1.724 353 2HD LYS 45 HD2 LYS 45 -0.858 -4.527 3.032 354 1HE LYS 45 HE1 LYS 45 -1.780 -4.873 0.185 355 2HE LYS 45 HE2 LYS 45 -0.511 -5.922 0.837 356 1HZ LYS 45 HZ1 LYS 45 -2.028 -6.150 2.848 357 2HZ LYS 45 HZ2 LYS 45 -2.492 -6.982 1.443 358 3HZ LYS 45 HZ3 LYS 45 -3.258 -5.524 1.861 359 H SER 46 HN SER 46 -2.494 -2.526 5.993 360 HA SER 46 HA SER 46 -3.668 -5.137 5.882 361 1HB SER 46 HB1 SER 46 -2.619 -3.224 7.928 362 2HB SER 46 HB2 SER 46 -3.596 -4.569 8.518 363 HG SER 46 HG SER 46 -1.719 -5.540 8.397 364 H ALA 47 HN ALA 47 -4.933 -1.978 6.872 365 HA ALA 47 HA ALA 47 -7.415 -2.960 7.981 366 1HB ALA 47 HB1 ALA 47 -7.167 -0.791 8.636 367 2HB ALA 47 HB2 ALA 47 -7.818 -0.361 7.054 368 3HB ALA 47 HB3 ALA 47 -6.072 -0.438 7.300 369 H LEU 48 HN LEU 48 -6.299 -2.181 4.733 370 HA LEU 48 HA LEU 48 -8.969 -2.156 3.542 371 1HB LEU 48 HB1 LEU 48 -6.221 -2.526 2.288 372 2HB LEU 48 HB2 LEU 48 -7.682 -2.007 1.461 373 HG LEU 48 HG LEU 48 -6.452 -0.495 3.772 374 1HD1 LEU 48 HD21 LEU 48 -4.881 0.158 2.287 375 2HD1 LEU 48 HD22 LEU 48 -6.174 1.022 1.455 376 3HD1 LEU 48 HD23 LEU 48 -5.731 -0.608 0.946 377 1HD2 LEU 48 HD11 LEU 48 -8.132 0.932 1.855 378 2HD2 LEU 48 HD12 LEU 48 -8.232 0.885 3.614 379 3HD2 LEU 48 HD13 LEU 48 -8.993 -0.383 2.654 380 H LEU 49 HN LEU 49 -6.210 -4.455 3.343 381 HA LEU 49 HA LEU 49 -7.501 -6.517 1.928 382 1HB LEU 49 HB1 LEU 49 -5.083 -6.052 3.216 383 2HB LEU 49 HB2 LEU 49 -5.761 -7.382 4.153 384 HG LEU 49 HG LEU 49 -4.439 -8.313 2.342 385 1HD1 LEU 49 HD21 LEU 49 -6.017 -9.820 1.485 386 2HD1 LEU 49 HD22 LEU 49 -7.268 -8.584 1.353 387 3HD1 LEU 49 HD23 LEU 49 -6.818 -9.218 2.936 388 1HD2 LEU 49 HD11 LEU 49 -4.250 -6.707 0.676 389 2HD2 LEU 49 HD12 LEU 49 -5.968 -6.302 0.734 390 3HD2 LEU 49 HD13 LEU 49 -5.438 -7.788 -0.054 391 H ASN 50 HN ASN 50 -7.744 -5.669 5.360 392 HA ASN 50 HA ASN 50 -9.194 -8.126 6.049 393 1HB ASN 50 HB1 ASN 50 -7.573 -6.513 7.405 394 2HB ASN 50 HB2 ASN 50 -9.074 -5.656 7.754 395 1HD2 ASN 50 HD22 ASN 50 -9.922 -6.348 9.719 396 2HD2 ASN 50 HD21 ASN 50 -9.882 -7.945 10.294 397 H GLU 51 HN GLU 51 -10.041 -4.784 5.245 398 HA GLU 51 HA GLU 51 -12.846 -5.138 6.120 399 1HB GLU 51 HB2 GLU 51 -11.553 -2.994 6.336 400 2HB GLU 51 HB1 GLU 51 -11.448 -2.916 4.579 401 1HG GLU 51 HG1 GLU 51 -13.312 -1.532 5.361 402 2HG GLU 51 HG2 GLU 51 -13.933 -2.915 4.463 403 H CYS 52 HN CYS 52 -10.879 -5.341 3.263 404 HA CYS 52 HA CYS 52 -13.086 -5.294 1.355 405 1HB CYS 52 HB2 CYS 52 -10.139 -6.039 1.268 406 2HB CYS 52 HB1 CYS 52 -11.162 -5.923 -0.155 407 HG CYS 52 HG CYS 52 -11.465 -3.368 0.312 408 H HIS 53 HN HIS 53 -11.049 -7.754 2.931 409 HA HIS 53 HA HIS 53 -12.258 -9.976 1.462 410 1HB HIS 53 HB1 HIS 53 -9.912 -9.809 2.455 411 2HB HIS 53 HB2 HIS 53 -10.663 -9.995 4.039 412 HD1 HIS 53 HD1 HIS 53 -8.913 -12.251 3.596 413 HD2 HIS 53 HD2 HIS 53 -12.702 -12.216 1.857 414 HE1 HIS 53 HE1 HIS 53 -9.474 -14.661 3.052 415 H LYS 54 HN LYS 54 -12.728 -8.389 4.595 416 HA LYS 54 HA LYS 54 -14.327 -10.260 5.948 417 1HB LYS 54 HB1 LYS 54 -13.547 -8.123 6.871 418 2HB LYS 54 HB2 LYS 54 -14.551 -7.235 5.726 419 1HG LYS 54 HG1 LYS 54 -16.567 -7.999 6.752 420 2HG LYS 54 HG2 LYS 54 -15.706 -9.213 7.697 421 1HD LYS 54 HD2 LYS 54 -15.303 -6.221 7.986 422 2HD LYS 54 HD1 LYS 54 -16.338 -7.189 9.035 423 1HE LYS 54 HE2 LYS 54 -13.769 -8.476 8.837 424 2HE LYS 54 HE1 LYS 54 -13.537 -6.778 9.294 425 1HZ LYS 54 HZ1 LYS 54 -15.345 -7.070 10.932 426 2HZ LYS 54 HZ2 LYS 54 -14.008 -8.065 11.262 427 3HZ LYS 54 HZ3 LYS 54 -15.404 -8.724 10.553 428 H GLN 55 HN GLN 55 -15.581 -7.597 3.884 429 HA GLN 55 HA GLN 55 -18.218 -8.885 3.727 430 1HB GLN 55 HB1 GLN 55 -17.028 -6.454 2.337 431 2HB GLN 55 HB2 GLN 55 -18.745 -6.840 2.448 432 1HG GLN 55 HG2 GLN 55 -16.899 -6.273 4.789 433 2HG GLN 55 HG1 GLN 55 -18.124 -5.176 4.153 434 1HE2 GLN 55 HE22 GLN 55 -20.289 -6.917 3.735 435 2HE2 GLN 55 HE21 GLN 55 -20.780 -7.585 5.216 436 H GLY 56 HN GLY 56 -15.562 -8.121 1.451 437 1HA GLY 56 HA1 GLY 56 -15.044 -9.991 -0.180 438 2HA GLY 56 HA2 GLY 56 -16.785 -10.089 -0.445 439 H GLY 57 HN GLY 57 -17.750 -7.798 -1.039 440 1HA GLY 57 HA2 GLY 57 -16.097 -6.786 -3.291 441 2HA GLY 57 HA1 GLY 57 -17.834 -6.539 -3.103 442 H LEU 58 HN LEU 58 -15.061 -4.859 -3.095 443 HA LEU 58 HA LEU 58 -16.090 -2.904 -1.065 444 1HB LEU 58 HB1 LEU 58 -13.638 -4.406 -1.173 445 2HB LEU 58 HB2 LEU 58 -13.253 -2.698 -1.379 446 HG LEU 58 HG LEU 58 -13.287 -3.406 1.021 447 1HD1 LEU 58 HD11 LEU 58 -15.618 -1.604 0.850 448 2HD1 LEU 58 HD12 LEU 58 -14.211 -1.107 -0.090 449 3HD1 LEU 58 HD13 LEU 58 -14.063 -1.368 1.648 450 1HD2 LEU 58 HD21 LEU 58 -15.322 -4.998 0.466 451 2HD2 LEU 58 HD22 LEU 58 -16.274 -3.568 0.865 452 3HD2 LEU 58 HD23 LEU 58 -15.179 -4.261 2.062 453 H ARG 59 HN ARG 59 -15.600 -0.656 -1.593 454 HA ARG 59 HA ARG 59 -15.210 -0.232 -4.531 455 1HB ARG 59 HB2 ARG 59 -16.642 1.229 -2.299 456 2HB ARG 59 HB1 ARG 59 -16.341 2.002 -3.856 457 1HG ARG 59 HG1 ARG 59 -17.733 0.519 -5.008 458 2HG ARG 59 HG2 ARG 59 -17.598 -0.727 -3.768 459 1HD ARG 59 HD1 ARG 59 -18.809 0.999 -2.225 460 2HD ARG 59 HD2 ARG 59 -19.281 1.778 -3.748 461 HE ARG 59 HE ARG 59 -20.672 -0.087 -4.198 462 1HH1 ARG 59 HH21 ARG 59 -18.345 -0.842 -1.721 463 2HH1 ARG 59 HH22 ARG 59 -19.038 -2.392 -1.390 464 1HH2 ARG 59 HH11 ARG 59 -21.553 -2.101 -3.750 465 2HH2 ARG 59 HH12 ARG 59 -20.841 -3.102 -2.529 466 H LEU 60 HN LEU 60 -13.871 1.579 -5.198 467 HA LEU 60 HA LEU 60 -11.481 1.950 -3.597 468 1HB LEU 60 HB2 LEU 60 -11.407 1.905 -6.021 469 2HB LEU 60 HB1 LEU 60 -12.592 3.200 -6.134 470 HG LEU 60 HG LEU 60 -11.025 4.797 -5.228 471 1HD1 LEU 60 HD11 LEU 60 -8.824 4.224 -4.432 472 2HD1 LEU 60 HD12 LEU 60 -8.999 2.555 -4.990 473 3HD1 LEU 60 HD13 LEU 60 -9.952 3.137 -3.623 474 1HD2 LEU 60 HD21 LEU 60 -10.843 4.163 -7.653 475 2HD2 LEU 60 HD22 LEU 60 -9.538 3.060 -7.214 476 3HD2 LEU 60 HD23 LEU 60 -9.344 4.797 -6.972 477 H ALA 61 HN ALA 61 -14.368 3.906 -4.290 478 HA ALA 61 HA ALA 61 -13.473 6.343 -3.059 479 1HB ALA 61 HB1 ALA 61 -15.382 6.518 -4.407 480 2HB ALA 61 HB2 ALA 61 -16.115 6.495 -2.803 481 3HB ALA 61 HB3 ALA 61 -16.081 5.026 -3.778 482 H GLN 62 HN GLN 62 -15.398 3.602 -1.784 483 HA GLN 62 HA GLN 62 -15.832 4.517 0.845 484 1HB GLN 62 HB2 GLN 62 -15.398 1.841 -0.479 485 2HB GLN 62 HB1 GLN 62 -15.621 1.921 1.269 486 1HG GLN 62 HG2 GLN 62 -17.576 3.580 -0.083 487 2HG GLN 62 HG1 GLN 62 -17.640 1.928 -0.695 488 1HE2 GLN 62 HE21 GLN 62 -19.710 3.126 0.984 489 2HE2 GLN 62 HE22 GLN 62 -19.747 2.250 2.438 490 H ALA 63 HN ALA 63 -12.930 3.134 -0.625 491 HA ALA 63 HA ALA 63 -11.460 2.787 1.849 492 1HB ALA 63 HB1 ALA 63 -9.822 2.007 0.403 493 2HB ALA 63 HB2 ALA 63 -10.126 3.276 -0.783 494 3HB ALA 63 HB3 ALA 63 -11.216 1.894 -0.672 495 H ARG 64 HN ARG 64 -11.773 5.387 -0.530 496 HA ARG 64 HA ARG 64 -9.634 7.050 0.319 497 1HB ARG 64 HB2 ARG 64 -12.200 7.256 -1.156 498 2HB ARG 64 HB1 ARG 64 -11.610 8.770 -0.483 499 1HG ARG 64 HG1 ARG 64 -10.692 8.562 -2.692 500 2HG ARG 64 HG2 ARG 64 -9.386 8.295 -1.541 501 1HD ARG 64 HD1 ARG 64 -9.005 6.401 -2.710 502 2HD ARG 64 HD2 ARG 64 -10.419 5.752 -1.872 503 HE ARG 64 HE ARG 64 -11.687 6.078 -3.853 504 1HH1 ARG 64 HH11 ARG 64 -8.638 7.753 -4.024 505 2HH1 ARG 64 HH12 ARG 64 -8.840 8.174 -5.687 506 1HH2 ARG 64 HH22 ARG 64 -11.921 6.636 -6.012 507 2HH2 ARG 64 HH21 ARG 64 -10.681 7.548 -6.807 508 H ALA 65 HN ALA 65 -13.025 6.899 1.439 509 HA ALA 65 HA ALA 65 -12.483 8.900 3.547 510 1HB ALA 65 HB1 ALA 65 -14.847 8.856 3.803 511 2HB ALA 65 HB2 ALA 65 -14.968 7.219 3.159 512 3HB ALA 65 HB3 ALA 65 -14.604 8.566 2.081 513 H LEU 66 HN LEU 66 -11.921 5.601 3.259 514 HA LEU 66 HA LEU 66 -12.747 4.882 6.002 515 1HB LEU 66 HB1 LEU 66 -13.037 3.315 4.135 516 2HB LEU 66 HB2 LEU 66 -11.317 3.408 3.758 517 HG LEU 66 HG LEU 66 -10.821 2.506 6.041 518 1HD1 LEU 66 HD11 LEU 66 -13.718 2.891 6.267 519 2HD1 LEU 66 HD12 LEU 66 -12.508 2.712 7.538 520 3HD1 LEU 66 HD13 LEU 66 -13.200 1.282 6.772 521 1HD2 LEU 66 HD21 LEU 66 -12.623 0.421 5.056 522 2HD2 LEU 66 HD22 LEU 66 -10.862 0.425 5.155 523 3HD2 LEU 66 HD23 LEU 66 -11.668 1.151 3.765 524 H ILE 67 HN ILE 67 -9.650 4.283 4.305 525 HA ILE 67 HA ILE 67 -8.245 4.586 6.878 526 HB ILE 67 HB ILE 67 -6.326 3.726 5.501 527 1HG1 ILE 67 HG11 ILE 67 -8.316 3.366 3.265 528 2HG1 ILE 67 HG12 ILE 67 -7.295 4.801 3.357 529 1HG2 ILE 67 HG21 ILE 67 -8.813 2.078 5.043 530 2HG2 ILE 67 HG22 ILE 67 -8.096 2.278 6.642 531 3HG2 ILE 67 HG23 ILE 67 -7.172 1.511 5.351 532 1HD1 ILE 67 HD11 ILE 67 -6.212 1.971 3.451 533 2HD1 ILE 67 HD12 ILE 67 -5.288 3.462 3.270 534 3HD1 ILE 67 HD13 ILE 67 -6.338 2.910 1.964 535 H LYS 68 HN LYS 68 -5.851 5.501 6.313 536 HA LYS 68 HA LYS 68 -4.698 7.537 6.319 537 1HB LYS 68 HB1 LYS 68 -6.006 7.489 3.603 538 2HB LYS 68 HB2 LYS 68 -4.600 8.460 4.037 539 1HG LYS 68 HG1 LYS 68 -4.002 5.888 4.981 540 2HG LYS 68 HG2 LYS 68 -4.737 5.634 3.412 541 1HD LYS 68 HD1 LYS 68 -2.968 6.548 2.310 542 2HD LYS 68 HD2 LYS 68 -2.827 7.861 3.479 543 1HE LYS 68 HE1 LYS 68 -2.104 5.302 4.676 544 2HE LYS 68 HE2 LYS 68 -1.092 5.680 3.270 545 1HZ LYS 68 HZ1 LYS 68 -0.437 6.704 5.511 546 2HZ LYS 68 HZ2 LYS 68 -1.767 7.737 5.290 547 3HZ LYS 68 HZ3 LYS 68 -0.495 7.738 4.165 548 H ILE 69 HN ILE 69 -5.982 9.778 4.423 549 HA ILE 69 HA ILE 69 -8.093 10.693 6.299 550 HB ILE 69 HB ILE 69 -6.855 12.719 6.839 551 1HG1 ILE 69 HG12 ILE 69 -5.702 12.910 4.607 552 2HG1 ILE 69 HG11 ILE 69 -4.663 13.224 5.989 553 1HG2 ILE 69 HG21 ILE 69 -5.085 11.789 8.180 554 2HG2 ILE 69 HG22 ILE 69 -4.963 10.377 7.130 555 3HG2 ILE 69 HG23 ILE 69 -6.396 10.610 8.131 556 1HD1 ILE 69 HD11 ILE 69 -3.243 11.726 5.061 557 2HD1 ILE 69 HD12 ILE 69 -4.479 11.107 3.967 558 3HD1 ILE 69 HD13 ILE 69 -4.367 10.489 5.612 559 H ASP 70 HN ASP 70 -6.293 11.292 3.276 560 HA ASP 70 HA ASP 70 -8.473 13.162 2.456 561 1HB ASP 70 HB1 ASP 70 -5.559 12.909 2.065 562 2HB ASP 70 HB2 ASP 70 -6.444 13.405 0.624 563 H VAL 71 HN VAL 71 -6.358 11.534 0.153 564 HA VAL 71 HA VAL 71 -8.177 9.449 -0.606 565 HB VAL 71 HB VAL 71 -9.648 11.288 -1.182 566 1HG1 VAL 71 HG21 VAL 71 -8.985 13.164 -2.531 567 2HG1 VAL 71 HG22 VAL 71 -7.432 12.419 -2.909 568 3HG1 VAL 71 HG23 VAL 71 -7.763 12.988 -1.273 569 1HG2 VAL 71 HG11 VAL 71 -8.728 10.935 -3.926 570 2HG2 VAL 71 HG12 VAL 71 -10.224 10.389 -3.169 571 3HG2 VAL 71 HG13 VAL 71 -8.762 9.413 -3.039 572 H ASN 72 HN ASN 72 -5.867 11.855 -1.911 573 HA ASN 72 HA ASN 72 -4.840 10.266 -4.051 574 1HB ASN 72 HB2 ASN 72 -4.382 12.751 -2.827 575 2HB ASN 72 HB1 ASN 72 -2.855 11.888 -2.641 576 1HD2 ASN 72 HD21 ASN 72 -4.244 14.020 -4.684 577 2HD2 ASN 72 HD22 ASN 72 -3.585 13.514 -6.164 578 H LYS 73 HN LYS 73 -4.287 10.251 -0.600 579 HA LYS 73 HA LYS 73 -1.945 8.530 -0.620 580 1HB LYS 73 HB2 LYS 73 -4.002 9.070 1.561 581 2HB LYS 73 HB1 LYS 73 -2.341 8.521 1.782 582 1HG LYS 73 HG2 LYS 73 -1.830 10.707 2.041 583 2HG LYS 73 HG1 LYS 73 -1.979 10.796 0.287 584 1HD LYS 73 HD1 LYS 73 -4.610 10.962 1.286 585 2HD LYS 73 HD2 LYS 73 -3.641 12.008 2.324 586 1HE LYS 73 HE2 LYS 73 -3.745 12.113 -0.716 587 2HE LYS 73 HE1 LYS 73 -4.430 13.309 0.398 588 1HZ LYS 73 HZ1 LYS 73 -2.341 14.176 -0.047 589 2HZ LYS 73 HZ2 LYS 73 -1.594 12.653 -0.102 590 3HZ LYS 73 HZ3 LYS 73 -2.060 13.316 1.390 591 H THR 74 HN THR 74 -5.312 7.922 0.483 592 HA THR 74 HA THR 74 -5.116 5.081 0.555 593 HB THR 74 HB THR 74 -7.424 6.988 0.014 594 HG1 THR 74 HG1 THR 74 -7.681 6.940 2.159 595 1HG2 THR 74 HG21 THR 74 -8.759 5.200 -0.298 596 2HG2 THR 74 HG22 THR 74 -8.238 4.529 1.248 597 3HG2 THR 74 HG23 THR 74 -7.347 4.148 -0.225 598 H ARG 75 HN ARG 75 -5.759 7.339 -2.084 599 HA ARG 75 HA ARG 75 -6.751 5.568 -4.045 600 1HB ARG 75 HB2 ARG 75 -6.644 8.015 -4.265 601 2HB ARG 75 HB1 ARG 75 -4.881 7.956 -4.266 602 1HG ARG 75 HG1 ARG 75 -4.990 6.518 -6.318 603 2HG ARG 75 HG2 ARG 75 -6.737 6.757 -6.344 604 1HD ARG 75 HD2 ARG 75 -6.461 9.157 -6.647 605 2HD ARG 75 HD1 ARG 75 -4.705 9.018 -6.435 606 HE ARG 75 HE ARG 75 -5.462 7.201 -8.479 607 1HH1 ARG 75 HH12 ARG 75 -5.401 10.633 -7.893 608 2HH1 ARG 75 HH11 ARG 75 -5.204 11.025 -9.566 609 1HH2 ARG 75 HH22 ARG 75 -5.207 7.737 -10.642 610 2HH2 ARG 75 HH21 ARG 75 -5.094 9.400 -11.112 611 H LYS 76 HN LYS 76 -3.327 6.443 -3.359 612 HA LYS 76 HA LYS 76 -2.226 4.683 -5.328 613 1HB LYS 76 HB2 LYS 76 -1.233 6.010 -2.802 614 2HB LYS 76 HB1 LYS 76 -0.167 5.004 -3.785 615 1HG LYS 76 HG1 LYS 76 -0.178 6.486 -5.556 616 2HG LYS 76 HG2 LYS 76 -1.803 7.064 -5.199 617 1HD LYS 76 HD1 LYS 76 -1.016 8.759 -3.936 618 2HD LYS 76 HD2 LYS 76 0.064 7.685 -3.051 619 1HE LYS 76 HE1 LYS 76 1.843 8.058 -4.516 620 2HE LYS 76 HE2 LYS 76 0.771 8.410 -5.881 621 1HZ LYS 76 HZ1 LYS 76 0.034 10.411 -4.622 622 2HZ LYS 76 HZ2 LYS 76 1.663 10.471 -5.099 623 3HZ LYS 76 HZ3 LYS 76 1.263 10.107 -3.489 624 H ILE 77 HN ILE 77 -2.463 4.196 -1.752 625 HA ILE 77 HA ILE 77 -1.489 1.527 -1.719 626 HB ILE 77 HB ILE 77 -3.526 3.010 -0.016 627 1HG1 ILE 77 HG11 ILE 77 -1.206 2.637 1.433 628 2HG1 ILE 77 HG12 ILE 77 -0.598 2.907 -0.197 629 1HG2 ILE 77 HG21 ILE 77 -3.705 0.500 0.187 630 2HG2 ILE 77 HG22 ILE 77 -3.224 1.307 1.679 631 3HG2 ILE 77 HG23 ILE 77 -2.017 0.478 0.697 632 1HD1 ILE 77 HD11 ILE 77 -1.356 5.070 -0.270 633 2HD1 ILE 77 HD12 ILE 77 -1.202 4.931 1.481 634 3HD1 ILE 77 HD13 ILE 77 -2.775 4.713 0.715 635 H TYR 78 HN TYR 78 -4.923 2.567 -1.669 636 HA TYR 78 HA TYR 78 -6.047 -0.018 -2.006 637 1HB TYR 78 HB1 TYR 78 -6.931 2.518 -1.552 638 2HB TYR 78 HB2 TYR 78 -7.423 2.311 -3.233 639 HD1 TYR 78 HD1 TYR 78 -9.405 1.140 -3.725 640 HD2 TYR 78 HD2 TYR 78 -7.493 0.555 0.073 641 HE1 TYR 78 HE1 TYR 78 -11.310 -0.261 -2.985 642 HE2 TYR 78 HE2 TYR 78 -9.399 -0.849 0.814 643 HH TYR 78 HH TYR 78 -12.194 -0.852 -0.225 644 H ASP 79 HN ASP 79 -5.054 2.397 -4.459 645 HA ASP 79 HA ASP 79 -6.114 1.143 -6.762 646 1HB ASP 79 HB2 ASP 79 -5.069 3.332 -6.822 647 2HB ASP 79 HB1 ASP 79 -3.534 2.674 -6.258 648 H PHE 80 HN PHE 80 -3.179 0.402 -4.901 649 HA PHE 80 HA PHE 80 -2.138 -1.566 -6.735 650 1HB PHE 80 HB2 PHE 80 -0.856 -0.417 -4.935 651 2HB PHE 80 HB1 PHE 80 -1.831 -1.250 -3.725 652 HD1 PHE 80 HD1 PHE 80 -0.118 -2.277 -6.908 653 HD2 PHE 80 HD2 PHE 80 -0.671 -2.997 -2.709 654 HE1 PHE 80 HE1 PHE 80 1.394 -4.237 -7.045 655 HE2 PHE 80 HE2 PHE 80 0.842 -4.957 -2.847 656 HZ PHE 80 HZ PHE 80 1.874 -5.577 -5.015 657 H LEU 81 HN LEU 81 -3.608 -2.137 -3.502 658 HA LEU 81 HA LEU 81 -4.122 -4.875 -3.750 659 1HB LEU 81 HB2 LEU 81 -5.863 -2.702 -2.520 660 2HB LEU 81 HB1 LEU 81 -5.905 -4.409 -2.086 661 HG LEU 81 HG LEU 81 -3.204 -3.300 -1.990 662 1HD1 LEU 81 HD21 LEU 81 -4.711 -2.361 0.347 663 2HD1 LEU 81 HD22 LEU 81 -5.154 -1.519 -1.138 664 3HD1 LEU 81 HD23 LEU 81 -3.475 -1.529 -0.597 665 1HD2 LEU 81 HD11 LEU 81 -3.478 -5.364 -0.949 666 2HD2 LEU 81 HD12 LEU 81 -5.070 -4.945 -0.320 667 3HD2 LEU 81 HD13 LEU 81 -3.625 -4.275 0.426 668 H ILE 82 HN ILE 82 -6.289 -2.215 -4.712 669 HA ILE 82 HA ILE 82 -8.520 -3.644 -5.640 670 HB ILE 82 HB ILE 82 -7.108 -1.113 -6.541 671 1HG1 ILE 82 HG11 ILE 82 -8.102 -1.309 -4.211 672 2HG1 ILE 82 HG12 ILE 82 -8.711 0.028 -5.182 673 1HG2 ILE 82 HG21 ILE 82 -9.514 -2.437 -7.673 674 2HG2 ILE 82 HG22 ILE 82 -8.377 -1.323 -8.433 675 3HG2 ILE 82 HG23 ILE 82 -9.648 -0.704 -7.379 676 1HD1 ILE 82 HD11 ILE 82 -10.809 -0.777 -5.112 677 2HD1 ILE 82 HD12 ILE 82 -10.243 -1.932 -3.905 678 3HD1 ILE 82 HD13 ILE 82 -10.279 -2.386 -5.610 679 H ARG 83 HN ARG 83 -6.314 -2.168 -7.974 680 HA ARG 83 HA ARG 83 -6.918 -3.796 -10.166 681 1HB ARG 83 HB1 ARG 83 -4.490 -2.245 -9.277 682 2HB ARG 83 HB2 ARG 83 -4.569 -3.003 -10.869 683 1HG ARG 83 HG1 ARG 83 -5.762 -1.242 -11.594 684 2HG ARG 83 HG2 ARG 83 -7.046 -1.678 -10.478 685 1HD ARG 83 HD2 ARG 83 -6.342 -0.151 -8.850 686 2HD ARG 83 HD1 ARG 83 -4.666 -0.152 -9.442 687 HE ARG 83 HE ARG 83 -6.824 1.509 -10.464 688 1HH1 ARG 83 HH22 ARG 83 -3.919 -0.213 -11.309 689 2HH1 ARG 83 HH21 ARG 83 -3.580 0.803 -12.667 690 1HH2 ARG 83 HH11 ARG 83 -6.363 2.815 -12.233 691 2HH2 ARG 83 HH12 ARG 83 -4.951 2.504 -13.188 692 H GLU 84 HN GLU 84 -4.948 -4.575 -7.386 693 HA GLU 84 HA GLU 84 -3.546 -6.792 -8.708 694 1HB GLU 84 HB1 GLU 84 -3.767 -5.660 -5.910 695 2HB GLU 84 HB2 GLU 84 -2.885 -7.154 -6.222 696 1HG GLU 84 HG2 GLU 84 -2.344 -4.598 -7.746 697 2HG GLU 84 HG1 GLU 84 -1.487 -5.018 -6.263 698 H GLY 85 HN GLY 85 -3.665 -8.904 -7.140 699 1HA GLY 85 HA1 GLY 85 -6.505 -9.774 -7.286 700 2HA GLY 85 HA2 GLY 85 -5.111 -10.854 -7.189 701 H TYR 86 HN TYR 86 -6.137 -8.026 -5.260 702 HA TYR 86 HA TYR 86 -5.774 -9.742 -2.831 703 1HB TYR 86 HB2 TYR 86 -4.986 -6.969 -3.651 704 2HB TYR 86 HB1 TYR 86 -5.292 -7.269 -1.949 705 HD1 TYR 86 HD1 TYR 86 -4.319 -9.855 -1.340 706 HD2 TYR 86 HD2 TYR 86 -2.711 -7.013 -4.130 707 HE1 TYR 86 HE1 TYR 86 -2.084 -10.909 -1.125 708 HE2 TYR 86 HE2 TYR 86 -0.476 -8.066 -3.916 709 HH TYR 86 HH TYR 86 0.356 -10.124 -1.458 710 H ILE 87 HN ILE 87 -7.163 -6.487 -3.299 711 HA ILE 87 HA ILE 87 -9.593 -7.429 -1.837 712 HB ILE 87 HB ILE 87 -9.877 -5.056 -1.306 713 1HG1 ILE 87 HG11 ILE 87 -7.496 -4.608 -3.117 714 2HG1 ILE 87 HG12 ILE 87 -9.151 -4.128 -3.465 715 1HG2 ILE 87 HG21 ILE 87 -7.158 -4.829 -0.664 716 2HG2 ILE 87 HG22 ILE 87 -7.466 -6.565 -0.717 717 3HG2 ILE 87 HG23 ILE 87 -8.421 -5.533 0.347 718 1HD1 ILE 87 HD11 ILE 87 -9.165 -2.620 -1.555 719 2HD1 ILE 87 HD12 ILE 87 -7.749 -2.257 -2.539 720 3HD1 ILE 87 HD13 ILE 87 -7.573 -3.183 -1.045 721 H THR 88 HN THR 88 -11.070 -5.015 -2.849 722 HA THR 88 HA THR 88 -11.362 -5.641 -5.742 723 HB THR 88 HB THR 88 -13.876 -5.920 -5.242 724 HG1 THR 88 HG1 THR 88 -14.157 -6.693 -3.025 725 1HG2 THR 88 HG21 THR 88 -13.606 -8.223 -5.057 726 2HG2 THR 88 HG22 THR 88 -12.301 -8.078 -3.880 727 3HG2 THR 88 HG23 THR 88 -11.992 -7.745 -5.584 728 H LYS 89 HN LYS 89 -12.890 -4.115 -6.808 729 HA LYS 89 HA LYS 89 -13.006 -1.483 -5.373 730 1HB LYS 89 HB1 LYS 89 -11.393 -2.039 -7.402 731 2HB LYS 89 HB2 LYS 89 -12.850 -1.793 -8.361 732 1HG LYS 89 HG2 LYS 89 -13.018 0.382 -6.795 733 2HG LYS 89 HG1 LYS 89 -11.269 0.164 -6.775 734 1HD LYS 89 HD2 LYS 89 -11.408 1.405 -8.704 735 2HD LYS 89 HD1 LYS 89 -11.716 -0.181 -9.412 736 1HE LYS 89 HE1 LYS 89 -14.200 0.252 -9.012 737 2HE LYS 89 HE2 LYS 89 -13.754 1.927 -8.634 738 1HZ LYS 89 HZ1 LYS 89 -12.759 0.570 -11.070 739 2HZ LYS 89 HZ2 LYS 89 -12.843 2.235 -10.747 740 3HZ LYS 89 HZ3 LYS 89 -14.263 1.360 -11.065 741 H ALA 90 HN ALA 90 -15.034 -3.833 -5.970 742 HA ALA 90 HA ALA 90 -17.054 -2.503 -7.639 743 1HB ALA 90 HB1 ALA 90 -18.191 -4.575 -7.404 744 2HB ALA 90 HB2 ALA 90 -17.429 -4.911 -5.849 745 3HB ALA 90 HB3 ALA 90 -16.488 -5.031 -7.336 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 13.022 14.818 -1.317 2 2H GLY 1 HT2 GLY 1 11.482 14.831 -2.031 3 3H GLY 1 HT3 GLY 1 12.490 16.191 -2.164 4 1HA GLY 1 HA2 GLY 1 12.262 14.478 -4.121 5 2HA GLY 1 HA1 GLY 1 13.793 15.278 -3.767 6 H SER 2 HN SER 2 15.215 14.078 -2.145 7 HA SER 2 HA SER 2 14.756 11.185 -1.885 8 1HB SER 2 HB2 SER 2 15.909 12.222 -4.218 9 2HB SER 2 HB1 SER 2 17.289 11.672 -3.268 10 HG SER 2 HG SER 2 16.671 9.676 -3.499 11 H ASN 3 HN ASN 3 15.607 10.693 0.091 12 HA ASN 3 HA ASN 3 18.069 12.160 0.978 13 1HB ASN 3 HB2 ASN 3 15.434 11.577 2.321 14 2HB ASN 3 HB1 ASN 3 16.884 11.777 3.305 15 1HD2 ASN 3 HD21 ASN 3 14.388 13.579 2.768 16 2HD2 ASN 3 HD22 ASN 3 15.073 15.091 2.409 17 H SER 4 HN SER 4 16.111 9.506 2.357 18 HA SER 4 HA SER 4 18.551 7.764 2.212 19 1HB SER 4 HB1 SER 4 18.156 7.132 4.458 20 2HB SER 4 HB2 SER 4 17.772 8.853 4.463 21 HG SER 4 HG SER 4 16.152 7.564 5.464 22 H GLY 5 HN GLY 5 18.177 5.732 1.373 23 1HA GLY 5 HA1 GLY 5 15.779 4.236 1.617 24 2HA GLY 5 HA2 GLY 5 15.711 5.101 0.082 25 H ARG 6 HN ARG 6 18.492 3.634 1.774 26 HA ARG 6 HA ARG 6 18.694 1.507 -0.260 27 1HB ARG 6 HB2 ARG 6 19.863 4.035 -0.657 28 2HB ARG 6 HB1 ARG 6 21.194 3.004 -0.133 29 1HG ARG 6 HG1 ARG 6 21.274 2.347 -2.307 30 2HG ARG 6 HG2 ARG 6 19.868 1.364 -1.899 31 1HD ARG 6 HD1 ARG 6 18.718 2.543 -3.463 32 2HD ARG 6 HD2 ARG 6 18.856 3.955 -2.398 33 HE ARG 6 HE ARG 6 20.585 4.760 -3.799 34 1HH1 ARG 6 HH21 ARG 6 20.069 1.354 -4.306 35 2HH1 ARG 6 HH22 ARG 6 21.181 1.270 -5.629 36 1HH2 ARG 6 HH11 ARG 6 22.022 4.626 -5.519 37 2HH2 ARG 6 HH12 ARG 6 22.279 3.108 -6.312 38 H ARG 7 HN ARG 7 20.170 -0.149 0.403 39 HA ARG 7 HA ARG 7 21.284 -1.467 2.017 40 1HB ARG 7 HB1 ARG 7 22.872 0.463 1.440 41 2HB ARG 7 HB2 ARG 7 22.325 1.233 2.930 42 1HG ARG 7 HG1 ARG 7 23.268 -0.432 4.286 43 2HG ARG 7 HG2 ARG 7 23.308 -1.612 2.976 44 1HD ARG 7 HD2 ARG 7 24.984 0.043 1.843 45 2HD ARG 7 HD1 ARG 7 25.167 0.712 3.475 46 HE ARG 7 HE ARG 7 26.253 -1.294 4.110 47 1HH1 ARG 7 HH12 ARG 7 24.478 -1.729 1.147 48 2HH1 ARG 7 HH11 ARG 7 25.086 -3.327 0.888 49 1HH2 ARG 7 HH22 ARG 7 27.029 -3.371 3.751 50 2HH2 ARG 7 HH21 ARG 7 26.519 -4.251 2.350 51 H SER 8 HN SER 8 19.540 -2.153 3.337 52 HA SER 8 HA SER 8 19.462 -1.079 6.039 53 1HB SER 8 HB1 SER 8 18.177 0.575 4.583 54 2HB SER 8 HB2 SER 8 17.006 -0.711 4.289 55 HG SER 8 HG SER 8 17.463 0.797 6.551 56 H ALA 9 HN ALA 9 16.595 -1.966 6.326 57 HA ALA 9 HA ALA 9 16.874 -4.586 7.198 58 1HB ALA 9 HB1 ALA 9 14.489 -4.582 7.223 59 2HB ALA 9 HB2 ALA 9 14.399 -3.558 5.790 60 3HB ALA 9 HB3 ALA 9 14.930 -2.877 7.328 61 HA PRO 10 HA PRO 10 17.131 -7.566 3.991 62 1HB PRO 10 HB2 PRO 10 14.301 -8.366 4.576 63 2HB PRO 10 HB1 PRO 10 15.745 -9.385 4.442 64 1HG PRO 10 HG2 PRO 10 14.677 -8.742 6.806 65 2HG PRO 10 HG1 PRO 10 16.424 -8.910 6.584 66 1HD PRO 10 HD2 PRO 10 14.798 -6.473 6.974 67 2HD PRO 10 HD1 PRO 10 16.503 -6.772 7.351 68 HA PRO 11 HA PRO 11 14.923 -4.996 0.972 69 1HB PRO 11 HB1 PRO 11 16.673 -5.401 -1.075 70 2HB PRO 11 HB2 PRO 11 16.995 -4.248 0.238 71 1HG PRO 11 HG2 PRO 11 17.933 -7.058 -0.089 72 2HG PRO 11 HG1 PRO 11 18.866 -5.628 0.372 73 1HD PRO 11 HD2 PRO 11 17.986 -7.424 2.183 74 2HD PRO 11 HD1 PRO 11 18.083 -5.688 2.554 75 H LEU 12 HN LEU 12 13.109 -6.020 0.187 76 HA LEU 12 HA LEU 12 13.299 -8.751 -0.935 77 1HB LEU 12 HB2 LEU 12 11.163 -6.821 -0.089 78 2HB LEU 12 HB1 LEU 12 10.726 -8.139 -1.176 79 HG LEU 12 HG LEU 12 12.250 -9.435 0.716 80 1HD1 LEU 12 HD21 LEU 12 12.451 -7.738 2.306 81 2HD1 LEU 12 HD22 LEU 12 11.000 -8.573 2.859 82 3HD1 LEU 12 HD23 LEU 12 10.859 -7.071 1.943 83 1HD2 LEU 12 HD11 LEU 12 10.209 -10.379 -0.041 84 2HD2 LEU 12 HD12 LEU 12 9.277 -8.967 0.459 85 3HD2 LEU 12 HD13 LEU 12 9.936 -10.064 1.672 86 H ASN 13 HN ASN 13 11.341 -6.063 -2.094 87 HA ASN 13 HA ASN 13 12.732 -6.099 -4.725 88 1HB ASN 13 HB1 ASN 13 10.321 -7.468 -4.109 89 2HB ASN 13 HB2 ASN 13 9.857 -6.060 -5.062 90 1HD2 ASN 13 HD22 ASN 13 11.326 -5.734 -7.114 91 2HD2 ASN 13 HD21 ASN 13 11.760 -7.143 -7.956 92 H LEU 14 HN LEU 14 12.049 -4.238 -2.289 93 HA LEU 14 HA LEU 14 10.726 -2.025 -3.801 94 1HB LEU 14 HB1 LEU 14 10.075 -3.065 -1.439 95 2HB LEU 14 HB2 LEU 14 11.364 -2.010 -0.861 96 HG LEU 14 HG LEU 14 10.192 -0.130 -2.161 97 1HD1 LEU 14 HD11 LEU 14 7.648 -0.666 -2.298 98 2HD1 LEU 14 HD12 LEU 14 8.161 -2.354 -2.319 99 3HD1 LEU 14 HD13 LEU 14 8.695 -1.252 -3.590 100 1HD2 LEU 14 HD21 LEU 14 8.184 -0.495 -0.252 101 2HD2 LEU 14 HD22 LEU 14 9.721 0.334 -0.003 102 3HD2 LEU 14 HD23 LEU 14 9.568 -1.378 0.398 103 H THR 15 HN THR 15 13.763 -3.086 -2.524 104 HA THR 15 HA THR 15 14.938 -0.446 -2.144 105 HB THR 15 HB THR 15 15.664 -2.472 -0.940 106 HG1 THR 15 HG1 THR 15 17.686 -1.700 -2.763 107 1HG2 THR 15 HG21 THR 15 15.848 -3.490 -3.717 108 2HG2 THR 15 HG22 THR 15 15.479 -4.353 -2.223 109 3HG2 THR 15 HG23 THR 15 17.153 -3.986 -2.640 110 H GLY 16 HN GLY 16 16.771 0.336 -3.480 111 1HA GLY 16 HA1 GLY 16 17.722 0.928 -5.540 112 2HA GLY 16 HA2 GLY 16 17.436 -0.740 -6.032 113 H LEU 17 HN LEU 17 14.669 1.057 -4.987 114 HA LEU 17 HA LEU 17 13.922 1.611 -7.833 115 1HB LEU 17 HB2 LEU 17 12.382 0.166 -5.653 116 2HB LEU 17 HB1 LEU 17 11.639 0.714 -7.151 117 HG LEU 17 HG LEU 17 14.137 -0.939 -7.291 118 1HD1 LEU 17 HD21 LEU 17 12.381 -2.900 -7.510 119 2HD1 LEU 17 HD22 LEU 17 11.399 -1.861 -6.477 120 3HD1 LEU 17 HD23 LEU 17 12.976 -2.423 -5.920 121 1HD2 LEU 17 HD11 LEU 17 12.337 -1.743 -9.214 122 2HD2 LEU 17 HD12 LEU 17 13.580 -0.513 -9.446 123 3HD2 LEU 17 HD13 LEU 17 11.939 -0.036 -9.014 124 HA PRO 18 HA PRO 18 12.545 5.448 -6.130 125 1HB PRO 18 HB1 PRO 18 10.784 6.223 -8.070 126 2HB PRO 18 HB2 PRO 18 12.538 6.217 -8.335 127 1HG PRO 18 HG2 PRO 18 10.478 4.244 -9.196 128 2HG PRO 18 HG1 PRO 18 11.899 4.839 -10.066 129 1HD PRO 18 HD2 PRO 18 11.773 2.419 -8.771 130 2HD PRO 18 HD1 PRO 18 13.280 3.300 -9.089 131 H GLY 19 HN GLY 19 10.521 6.492 -5.300 132 1HA GLY 19 HA2 GLY 19 8.225 6.424 -4.612 133 2HA GLY 19 HA1 GLY 19 8.116 4.774 -5.225 134 H THR 20 HN THR 20 10.308 3.605 -3.914 135 HA THR 20 HA THR 20 9.315 2.784 -1.441 136 HB THR 20 HB THR 20 12.231 3.186 -2.200 137 HG1 THR 20 HG1 THR 20 12.040 1.260 -3.276 138 1HG2 THR 20 HG21 THR 20 11.005 2.096 0.095 139 2HG2 THR 20 HG22 THR 20 12.701 1.961 -0.369 140 3HG2 THR 20 HG23 THR 20 11.552 0.715 -0.857 141 H GLU 21 HN GLU 21 11.311 5.627 -2.154 142 HA GLU 21 HA GLU 21 11.741 6.351 0.632 143 1HB GLU 21 HB2 GLU 21 11.841 8.045 -1.890 144 2HB GLU 21 HB1 GLU 21 12.682 8.369 -0.376 145 1HG GLU 21 HG2 GLU 21 13.628 5.896 -0.868 146 2HG GLU 21 HG1 GLU 21 13.319 6.413 -2.526 147 H LYS 22 HN LYS 22 9.267 6.933 -1.771 148 HA LYS 22 HA LYS 22 8.021 9.191 -0.413 149 1HB LYS 22 HB1 LYS 22 6.954 7.218 -2.470 150 2HB LYS 22 HB2 LYS 22 6.295 8.815 -2.124 151 1HG LYS 22 HG2 LYS 22 9.131 8.348 -3.084 152 2HG LYS 22 HG1 LYS 22 7.787 8.734 -4.160 153 1HD LYS 22 HD2 LYS 22 7.787 10.580 -1.954 154 2HD LYS 22 HD1 LYS 22 9.395 10.545 -2.677 155 1HE LYS 22 HE1 LYS 22 8.412 12.077 -4.111 156 2HE LYS 22 HE2 LYS 22 7.885 10.596 -4.933 157 1HZ LYS 22 HZ1 LYS 22 6.355 11.726 -2.667 158 2HZ LYS 22 HZ2 LYS 22 5.826 10.650 -3.870 159 3HZ LYS 22 HZ3 LYS 22 6.095 12.283 -4.251 160 H LEU 23 HN LEU 23 7.914 5.724 -0.125 161 HA LEU 23 HA LEU 23 5.329 5.556 1.211 162 1HB LEU 23 HB1 LEU 23 7.733 3.689 1.227 163 2HB LEU 23 HB2 LEU 23 6.071 3.247 1.610 164 HG LEU 23 HG LEU 23 6.883 4.397 -1.071 165 1HD1 LEU 23 HD21 LEU 23 7.340 2.297 -1.894 166 2HD1 LEU 23 HD22 LEU 23 6.253 1.501 -0.756 167 3HD1 LEU 23 HD23 LEU 23 7.848 2.034 -0.226 168 1HD2 LEU 23 HD11 LEU 23 4.702 4.145 -1.644 169 2HD2 LEU 23 HD12 LEU 23 4.413 4.111 0.096 170 3HD2 LEU 23 HD13 LEU 23 4.566 2.601 -0.803 171 H ASN 24 HN ASN 24 4.969 6.116 3.334 172 HA ASN 24 HA ASN 24 6.817 7.346 5.036 173 1HB ASN 24 HB2 ASN 24 4.388 7.340 5.354 174 2HB ASN 24 HB1 ASN 24 4.407 5.607 5.672 175 1HD2 ASN 24 HD22 ASN 24 3.568 5.930 7.869 176 2HD2 ASN 24 HD21 ASN 24 4.547 6.577 9.095 177 H GLU 25 HN GLU 25 7.651 6.444 7.168 178 HA GLU 25 HA GLU 25 9.459 4.289 6.755 179 1HB GLU 25 HB1 GLU 25 8.422 5.959 8.986 180 2HB GLU 25 HB2 GLU 25 9.180 4.440 9.464 181 1HG GLU 25 HG1 GLU 25 10.710 5.809 7.393 182 2HG GLU 25 HG2 GLU 25 10.504 6.814 8.828 183 H LYS 26 HN LYS 26 6.097 4.281 7.640 184 HA LYS 26 HA LYS 26 6.175 1.568 8.788 185 1HB LYS 26 HB1 LYS 26 4.211 3.782 8.331 186 2HB LYS 26 HB2 LYS 26 3.564 2.154 8.530 187 1HG LYS 26 HG2 LYS 26 4.941 1.953 10.636 188 2HG LYS 26 HG1 LYS 26 5.346 3.661 10.464 189 1HD LYS 26 HD2 LYS 26 3.009 4.290 10.627 190 2HD LYS 26 HD1 LYS 26 2.509 2.599 10.605 191 1HE LYS 26 HE1 LYS 26 4.377 2.756 12.700 192 2HE LYS 26 HE2 LYS 26 3.374 4.210 12.866 193 1HZ LYS 26 HZ1 LYS 26 1.410 2.912 12.800 194 2HZ LYS 26 HZ2 LYS 26 2.437 2.130 13.904 195 3HZ LYS 26 HZ3 LYS 26 2.250 1.513 12.333 196 H GLU 27 HN GLU 27 4.949 3.132 5.803 197 HA GLU 27 HA GLU 27 3.904 0.656 4.706 198 1HB GLU 27 HB1 GLU 27 4.747 3.139 3.206 199 2HB GLU 27 HB2 GLU 27 3.496 1.996 2.753 200 1HG GLU 27 HG2 GLU 27 2.386 2.670 5.017 201 2HG GLU 27 HG1 GLU 27 3.439 4.082 4.925 202 H LYS 28 HN LYS 28 7.054 2.195 4.748 203 HA LYS 28 HA LYS 28 8.271 0.975 2.473 204 1HB LYS 28 HB2 LYS 28 9.163 1.912 5.200 205 2HB LYS 28 HB1 LYS 28 10.313 1.099 4.139 206 1HG LYS 28 HG2 LYS 28 9.770 2.758 2.347 207 2HG LYS 28 HG1 LYS 28 8.720 3.598 3.488 208 1HD LYS 28 HD2 LYS 28 10.699 4.791 3.757 209 2HD LYS 28 HD1 LYS 28 10.881 3.566 5.013 210 1HE LYS 28 HE2 LYS 28 12.745 2.776 3.992 211 2HE LYS 28 HE1 LYS 28 11.836 2.514 2.492 212 1HZ LYS 28 HZ1 LYS 28 13.456 4.153 2.007 213 2HZ LYS 28 HZ2 LYS 28 13.127 5.018 3.431 214 3HZ LYS 28 HZ3 LYS 28 11.989 4.992 2.171 215 H GLU 29 HN GLU 29 7.825 -0.175 5.814 216 HA GLU 29 HA GLU 29 8.971 -2.808 5.300 217 1HB GLU 29 HB1 GLU 29 8.954 -1.753 7.524 218 2HB GLU 29 HB2 GLU 29 7.193 -1.659 7.489 219 1HG GLU 29 HG2 GLU 29 8.045 -4.364 6.939 220 2HG GLU 29 HG1 GLU 29 8.773 -3.801 8.443 221 H LEU 30 HN LEU 30 5.791 -1.300 5.136 222 HA LEU 30 HA LEU 30 4.128 -3.610 5.069 223 1HB LEU 30 HB2 LEU 30 3.331 -1.284 5.234 224 2HB LEU 30 HB1 LEU 30 3.942 -0.933 3.618 225 HG LEU 30 HG LEU 30 2.364 -3.202 3.257 226 1HD1 LEU 30 HD11 LEU 30 1.123 -3.222 5.195 227 2HD1 LEU 30 HD12 LEU 30 0.174 -2.039 4.292 228 3HD1 LEU 30 HD13 LEU 30 1.356 -1.498 5.485 229 1HD2 LEU 30 HD21 LEU 30 2.239 -0.304 2.660 230 2HD2 LEU 30 HD22 LEU 30 0.703 -1.162 2.546 231 3HD2 LEU 30 HD23 LEU 30 2.078 -1.685 1.574 232 H CYS 31 HN CYS 31 5.984 -1.973 2.510 233 HA CYS 31 HA CYS 31 5.074 -3.806 0.412 234 1HB CYS 31 HB2 CYS 31 6.304 -1.293 0.640 235 2HB CYS 31 HB1 CYS 31 7.548 -2.324 -0.066 236 HG CYS 31 HG CYS 31 5.608 -1.208 -1.781 237 H GLN 32 HN GLN 32 7.818 -3.559 2.628 238 HA GLN 32 HA GLN 32 9.495 -5.524 1.339 239 1HB GLN 32 HB1 GLN 32 9.231 -4.392 4.140 240 2HB GLN 32 HB2 GLN 32 10.486 -5.557 3.718 241 1HG GLN 32 HG2 GLN 32 11.319 -4.050 1.962 242 2HG GLN 32 HG1 GLN 32 10.040 -2.897 2.329 243 1HE2 GLN 32 HE21 GLN 32 11.460 -1.202 3.087 244 2HE2 GLN 32 HE22 GLN 32 12.373 -1.355 4.510 245 H VAL 33 HN VAL 33 6.861 -5.711 3.699 246 HA VAL 33 HA VAL 33 7.216 -8.511 4.377 247 HB VAL 33 HB VAL 33 4.850 -6.597 4.450 248 1HG1 VAL 33 HG11 VAL 33 3.850 -8.722 4.571 249 2HG1 VAL 33 HG12 VAL 33 4.109 -8.312 6.266 250 3HG1 VAL 33 HG13 VAL 33 5.214 -9.417 5.447 251 1HG2 VAL 33 HG21 VAL 33 5.492 -6.078 6.636 252 2HG2 VAL 33 HG22 VAL 33 7.055 -6.246 5.838 253 3HG2 VAL 33 HG23 VAL 33 6.421 -7.565 6.822 254 H VAL 34 HN VAL 34 4.795 -6.835 2.340 255 HA VAL 34 HA VAL 34 4.361 -9.350 0.802 256 HB VAL 34 HB VAL 34 2.624 -7.869 -0.344 257 1HG1 VAL 34 HG21 VAL 34 2.636 -8.974 2.320 258 2HG1 VAL 34 HG22 VAL 34 1.319 -8.914 1.146 259 3HG1 VAL 34 HG23 VAL 34 1.577 -7.564 2.253 260 1HG2 VAL 34 HG11 VAL 34 2.339 -5.678 0.215 261 2HG2 VAL 34 HG12 VAL 34 4.035 -5.794 0.684 262 3HG2 VAL 34 HG13 VAL 34 2.770 -5.946 1.904 263 H ARG 35 HN ARG 35 6.649 -9.189 0.006 264 HA ARG 35 HA ARG 35 8.079 -7.348 -1.315 265 1HB ARG 35 HB2 ARG 35 8.737 -9.173 -2.904 266 2HB ARG 35 HB1 ARG 35 8.647 -9.715 -1.228 267 1HG ARG 35 HG1 ARG 35 7.107 -11.246 -1.812 268 2HG ARG 35 HG2 ARG 35 6.050 -9.942 -2.352 269 1HD ARG 35 HD2 ARG 35 6.346 -11.273 -4.304 270 2HD ARG 35 HD1 ARG 35 7.524 -9.964 -4.516 271 HE ARG 35 HE ARG 35 9.245 -11.551 -4.180 272 1HH1 ARG 35 HH11 ARG 35 6.213 -12.747 -2.954 273 2HH1 ARG 35 HH12 ARG 35 6.857 -14.305 -2.571 274 1HH2 ARG 35 HH21 ARG 35 10.056 -13.583 -3.674 275 2HH2 ARG 35 HH22 ARG 35 9.016 -14.777 -2.974 276 H LEU 36 HN LEU 36 6.831 -5.622 -2.215 277 HA LEU 36 HA LEU 36 5.469 -6.292 -4.806 278 1HB LEU 36 HB1 LEU 36 4.394 -5.306 -2.438 279 2HB LEU 36 HB2 LEU 36 4.630 -3.850 -3.395 280 HG LEU 36 HG LEU 36 3.586 -5.737 -5.193 281 1HD1 LEU 36 HD11 LEU 36 1.482 -6.424 -4.037 282 2HD1 LEU 36 HD12 LEU 36 2.140 -5.798 -2.525 283 3HD1 LEU 36 HD13 LEU 36 2.916 -7.165 -3.325 284 1HD2 LEU 36 HD21 LEU 36 2.577 -3.767 -5.630 285 2HD2 LEU 36 HD22 LEU 36 2.905 -3.173 -4.003 286 3HD2 LEU 36 HD23 LEU 36 1.459 -4.132 -4.316 287 H VAL 37 HN VAL 37 4.970 -3.494 -5.341 288 HA VAL 37 HA VAL 37 7.738 -2.493 -5.855 289 HB VAL 37 HB VAL 37 6.925 -3.312 -7.931 290 1HG1 VAL 37 HG21 VAL 37 4.634 -3.814 -7.229 291 2HG1 VAL 37 HG22 VAL 37 4.615 -2.912 -8.743 292 3HG1 VAL 37 HG23 VAL 37 4.240 -2.095 -7.225 293 1HG2 VAL 37 HG11 VAL 37 7.698 -1.028 -8.224 294 2HG2 VAL 37 HG12 VAL 37 6.114 -0.402 -7.768 295 3HG2 VAL 37 HG13 VAL 37 6.307 -1.298 -9.274 296 HA PRO 38 HA PRO 38 6.256 1.131 -3.845 297 1HB PRO 38 HB2 PRO 38 8.101 2.835 -5.309 298 2HB PRO 38 HB1 PRO 38 8.204 2.291 -3.630 299 1HG PRO 38 HG2 PRO 38 9.874 1.483 -5.660 300 2HG PRO 38 HG1 PRO 38 9.610 0.609 -4.146 301 1HD PRO 38 HD1 PRO 38 8.575 0.038 -6.859 302 2HD PRO 38 HD2 PRO 38 8.933 -1.068 -5.518 303 H GLY 39 HN GLY 39 7.218 2.137 -7.157 304 1HA GLY 39 HA1 GLY 39 5.269 4.155 -7.430 305 2HA GLY 39 HA2 GLY 39 6.008 3.320 -8.790 306 H ALA 40 HN ALA 40 5.048 0.819 -8.783 307 HA ALA 40 HA ALA 40 2.406 0.966 -9.721 308 1HB ALA 40 HB1 ALA 40 2.984 -1.160 -10.204 309 2HB ALA 40 HB2 ALA 40 2.876 -1.584 -8.496 310 3HB ALA 40 HB3 ALA 40 4.397 -0.993 -9.165 311 H TYR 41 HN TYR 41 3.554 0.180 -6.430 312 HA TYR 41 HA TYR 41 1.002 -0.281 -5.211 313 1HB TYR 41 HB2 TYR 41 3.014 -0.853 -4.040 314 2HB TYR 41 HB1 TYR 41 3.711 0.743 -4.301 315 HD1 TYR 41 HD1 TYR 41 1.470 -1.272 -2.219 316 HD2 TYR 41 HD2 TYR 41 2.888 2.702 -3.026 317 HE1 TYR 41 HE1 TYR 41 0.559 -0.501 -0.043 318 HE2 TYR 41 HE2 TYR 41 1.975 3.470 -0.853 319 HH TYR 41 HH TYR 41 -0.252 1.843 0.884 320 H LEU 42 HN LEU 42 2.871 2.627 -5.918 321 HA LEU 42 HA LEU 42 1.278 4.584 -4.594 322 1HB LEU 42 HB1 LEU 42 3.506 4.398 -6.306 323 2HB LEU 42 HB2 LEU 42 2.344 5.363 -7.209 324 HG LEU 42 HG LEU 42 2.168 6.952 -5.382 325 1HD1 LEU 42 HD11 LEU 42 4.061 6.411 -3.510 326 2HD1 LEU 42 HD12 LEU 42 3.548 4.771 -3.909 327 3HD1 LEU 42 HD13 LEU 42 2.369 5.947 -3.329 328 1HD2 LEU 42 HD21 LEU 42 4.907 7.186 -5.137 329 2HD2 LEU 42 HD22 LEU 42 3.963 7.790 -6.499 330 3HD2 LEU 42 HD23 LEU 42 4.746 6.210 -6.601 331 H GLU 43 HN GLU 43 0.820 2.774 -7.562 332 HA GLU 43 HA GLU 43 -1.289 4.469 -8.645 333 1HB GLU 43 HB2 GLU 43 0.397 2.593 -9.624 334 2HB GLU 43 HB1 GLU 43 -1.022 1.581 -9.358 335 1HG GLU 43 HG2 GLU 43 -2.382 3.244 -10.650 336 2HG GLU 43 HG1 GLU 43 -0.896 4.123 -11.008 337 H TYR 44 HN TYR 44 -1.392 1.093 -7.393 338 HA TYR 44 HA TYR 44 -4.172 0.814 -7.187 339 1HB TYR 44 HB2 TYR 44 -2.029 -0.178 -5.263 340 2HB TYR 44 HB1 TYR 44 -3.621 -0.895 -5.492 341 HD1 TYR 44 HD1 TYR 44 -4.219 -1.406 -8.058 342 HD2 TYR 44 HD2 TYR 44 -0.249 -1.107 -6.447 343 HE1 TYR 44 HE1 TYR 44 -3.348 -2.743 -9.956 344 HE2 TYR 44 HE2 TYR 44 0.622 -2.444 -8.345 345 HH TYR 44 HH TYR 44 -0.069 -3.929 -10.016 346 H LYS 45 HN LYS 45 -1.953 2.064 -4.662 347 HA LYS 45 HA LYS 45 -3.910 2.673 -2.700 348 1HB LYS 45 HB1 LYS 45 -1.258 2.748 -2.808 349 2HB LYS 45 HB2 LYS 45 -1.532 4.442 -3.215 350 1HG LYS 45 HG2 LYS 45 -3.237 4.146 -1.108 351 2HG LYS 45 HG1 LYS 45 -1.955 3.023 -0.652 352 1HD LYS 45 HD2 LYS 45 -0.328 4.939 -1.239 353 2HD LYS 45 HD1 LYS 45 -1.747 5.985 -1.197 354 1HE LYS 45 HE2 LYS 45 -1.928 5.850 1.084 355 2HE LYS 45 HE1 LYS 45 -1.450 4.142 1.117 356 1HZ LYS 45 HZ1 LYS 45 0.793 4.690 0.873 357 2HZ LYS 45 HZ2 LYS 45 0.231 5.856 1.974 358 3HZ LYS 45 HZ3 LYS 45 0.458 6.268 0.342 359 H SER 46 HN SER 46 -2.691 4.623 -5.430 360 HA SER 46 HA SER 46 -4.139 7.021 -4.852 361 1HB SER 46 HB1 SER 46 -2.599 5.777 -7.007 362 2HB SER 46 HB2 SER 46 -3.917 6.766 -7.636 363 HG SER 46 HG SER 46 -2.511 8.301 -7.293 364 H ALA 47 HN ALA 47 -4.961 4.249 -6.966 365 HA ALA 47 HA ALA 47 -7.549 5.217 -7.744 366 1HB ALA 47 HB1 ALA 47 -6.973 3.476 -9.105 367 2HB ALA 47 HB2 ALA 47 -7.624 2.440 -7.833 368 3HB ALA 47 HB3 ALA 47 -5.896 2.786 -7.891 369 H LEU 48 HN LEU 48 -6.387 3.501 -4.906 370 HA LEU 48 HA LEU 48 -8.902 2.497 -3.950 371 1HB LEU 48 HB2 LEU 48 -6.206 3.205 -2.800 372 2HB LEU 48 HB1 LEU 48 -7.511 2.728 -1.717 373 HG LEU 48 HG LEU 48 -6.494 1.102 -4.070 374 1HD1 LEU 48 HD21 LEU 48 -4.881 0.513 -2.593 375 2HD1 LEU 48 HD22 LEU 48 -6.155 -0.347 -1.729 376 3HD1 LEU 48 HD23 LEU 48 -5.716 1.293 -1.250 377 1HD2 LEU 48 HD11 LEU 48 -8.395 -0.083 -3.882 378 2HD2 LEU 48 HD12 LEU 48 -8.973 1.048 -2.659 379 3HD2 LEU 48 HD13 LEU 48 -8.052 -0.376 -2.177 380 H LEU 49 HN LEU 49 -7.043 5.344 -2.803 381 HA LEU 49 HA LEU 49 -9.060 6.462 -1.169 382 1HB LEU 49 HB2 LEU 49 -6.479 7.105 -2.216 383 2HB LEU 49 HB1 LEU 49 -7.514 8.508 -2.476 384 HG LEU 49 HG LEU 49 -8.241 7.876 0.051 385 1HD1 LEU 49 HD11 LEU 49 -5.279 7.352 0.103 386 2HD1 LEU 49 HD12 LEU 49 -6.407 6.018 -0.137 387 3HD1 LEU 49 HD13 LEU 49 -6.489 6.989 1.333 388 1HD2 LEU 49 HD21 LEU 49 -5.739 9.391 0.064 389 2HD2 LEU 49 HD22 LEU 49 -7.374 9.928 0.449 390 3HD2 LEU 49 HD23 LEU 49 -6.827 9.901 -1.227 391 H ASN 50 HN ASN 50 -8.564 6.706 -4.666 392 HA ASN 50 HA ASN 50 -10.506 8.832 -5.064 393 1HB ASN 50 HB1 ASN 50 -8.467 7.832 -6.483 394 2HB ASN 50 HB2 ASN 50 -9.756 6.856 -7.189 395 1HD2 ASN 50 HD21 ASN 50 -9.294 8.165 -9.223 396 2HD2 ASN 50 HD22 ASN 50 -10.004 9.699 -9.377 397 H GLU 51 HN GLU 51 -10.610 5.392 -6.104 398 HA GLU 51 HA GLU 51 -13.329 5.290 -6.803 399 1HB GLU 51 HB1 GLU 51 -11.455 3.574 -7.087 400 2HB GLU 51 HB2 GLU 51 -11.754 3.095 -5.416 401 1HG GLU 51 HG2 GLU 51 -13.688 2.019 -5.946 402 2HG GLU 51 HG1 GLU 51 -14.180 3.270 -7.087 403 H CYS 52 HN CYS 52 -11.846 5.084 -3.596 404 HA CYS 52 HA CYS 52 -14.305 4.269 -2.252 405 1HB CYS 52 HB1 CYS 52 -12.043 3.735 -1.426 406 2HB CYS 52 HB2 CYS 52 -11.680 5.454 -1.276 407 HG CYS 52 HG CYS 52 -12.500 4.900 1.063 408 H HIS 53 HN HIS 53 -12.716 7.325 -3.023 409 HA HIS 53 HA HIS 53 -14.227 8.993 -1.221 410 1HB HIS 53 HB2 HIS 53 -12.249 9.187 -3.319 411 2HB HIS 53 HB1 HIS 53 -13.491 10.413 -3.574 412 HD1 HIS 53 HD1 HIS 53 -11.842 9.048 -0.405 413 HD2 HIS 53 HD2 HIS 53 -12.639 12.688 -2.273 414 HE1 HIS 53 HE1 HIS 53 -10.998 10.854 1.157 415 H LYS 54 HN LYS 54 -14.844 7.711 -4.449 416 HA LYS 54 HA LYS 54 -17.018 9.436 -5.169 417 1HB LYS 54 HB2 LYS 54 -15.621 7.127 -6.128 418 2HB LYS 54 HB1 LYS 54 -17.347 6.774 -6.194 419 1HG LYS 54 HG2 LYS 54 -16.617 7.839 -8.285 420 2HG LYS 54 HG1 LYS 54 -17.724 8.900 -7.414 421 1HD LYS 54 HD2 LYS 54 -15.879 10.259 -8.155 422 2HD LYS 54 HD1 LYS 54 -15.682 10.036 -6.418 423 1HE LYS 54 HE1 LYS 54 -13.524 9.652 -7.485 424 2HE LYS 54 HE2 LYS 54 -14.150 8.086 -6.942 425 1HZ LYS 54 HZ1 LYS 54 -14.861 7.541 -9.076 426 2HZ LYS 54 HZ2 LYS 54 -13.365 8.290 -9.366 427 3HZ LYS 54 HZ3 LYS 54 -14.808 9.149 -9.620 428 H GLN 55 HN GLN 55 -16.983 6.217 -3.600 429 HA GLN 55 HA GLN 55 -19.890 6.333 -3.129 430 1HB GLN 55 HB1 GLN 55 -17.732 4.377 -2.249 431 2HB GLN 55 HB2 GLN 55 -19.471 4.083 -2.202 432 1HG GLN 55 HG1 GLN 55 -19.368 4.670 -4.756 433 2HG GLN 55 HG2 GLN 55 -17.652 4.298 -4.588 434 1HE2 GLN 55 HE22 GLN 55 -20.325 2.834 -5.663 435 2HE2 GLN 55 HE21 GLN 55 -20.069 1.244 -5.127 436 H GLY 56 HN GLY 56 -16.881 6.663 -1.272 437 1HA GLY 56 HA2 GLY 56 -17.043 8.288 0.652 438 2HA GLY 56 HA1 GLY 56 -18.543 7.468 1.084 439 H GLY 57 HN GLY 57 -17.770 4.796 0.743 440 1HA GLY 57 HA2 GLY 57 -15.337 4.399 2.379 441 2HA GLY 57 HA1 GLY 57 -16.860 3.853 3.082 442 H LEU 58 HN LEU 58 -14.637 2.131 2.354 443 HA LEU 58 HA LEU 58 -16.094 0.386 0.410 444 1HB LEU 58 HB1 LEU 58 -13.819 1.974 -0.166 445 2HB LEU 58 HB2 LEU 58 -13.240 0.312 -0.049 446 HG LEU 58 HG LEU 58 -15.624 0.076 -1.463 447 1HD1 LEU 58 HD21 LEU 58 -15.665 1.747 -3.144 448 2HD1 LEU 58 HD22 LEU 58 -14.063 2.341 -2.708 449 3HD1 LEU 58 HD23 LEU 58 -15.436 2.643 -1.643 450 1HD2 LEU 58 HD11 LEU 58 -13.861 -1.258 -2.170 451 2HD2 LEU 58 HD12 LEU 58 -12.704 0.072 -2.137 452 3HD2 LEU 58 HD13 LEU 58 -13.876 -0.045 -3.450 453 H ARG 59 HN ARG 59 -16.267 -1.597 1.342 454 HA ARG 59 HA ARG 59 -15.104 -2.428 3.759 455 1HB ARG 59 HB1 ARG 59 -16.960 -3.364 2.039 456 2HB ARG 59 HB2 ARG 59 -15.634 -4.449 1.626 457 1HG ARG 59 HG1 ARG 59 -15.472 -5.267 3.857 458 2HG ARG 59 HG2 ARG 59 -16.478 -3.963 4.485 459 1HD ARG 59 HD2 ARG 59 -18.350 -4.902 2.979 460 2HD ARG 59 HD1 ARG 59 -17.330 -6.345 2.825 461 HE ARG 59 HE ARG 59 -17.802 -6.842 5.092 462 1HH1 ARG 59 HH11 ARG 59 -18.536 -3.515 4.376 463 2HH1 ARG 59 HH12 ARG 59 -19.235 -3.221 5.930 464 1HH2 ARG 59 HH22 ARG 59 -18.715 -6.435 7.101 465 2HH2 ARG 59 HH21 ARG 59 -19.337 -4.860 7.463 466 H LEU 60 HN LEU 60 -13.554 -4.323 4.003 467 HA LEU 60 HA LEU 60 -11.054 -3.728 2.597 468 1HB LEU 60 HB2 LEU 60 -11.378 -4.274 5.061 469 2HB LEU 60 HB1 LEU 60 -11.743 -5.928 4.580 470 HG LEU 60 HG LEU 60 -9.533 -6.240 3.676 471 1HD1 LEU 60 HD11 LEU 60 -7.920 -4.158 4.077 472 2HD1 LEU 60 HD12 LEU 60 -9.425 -3.254 3.889 473 3HD1 LEU 60 HD13 LEU 60 -8.856 -4.310 2.590 474 1HD2 LEU 60 HD21 LEU 60 -9.015 -4.647 6.184 475 2HD2 LEU 60 HD22 LEU 60 -8.266 -6.156 5.659 476 3HD2 LEU 60 HD23 LEU 60 -9.928 -6.156 6.250 477 H ALA 61 HN ALA 61 -13.323 -6.489 2.790 478 HA ALA 61 HA ALA 61 -11.976 -8.359 1.172 479 1HB ALA 61 HB1 ALA 61 -14.945 -7.739 1.070 480 2HB ALA 61 HB2 ALA 61 -14.190 -8.504 2.468 481 3HB ALA 61 HB3 ALA 61 -14.169 -9.314 0.902 482 H GLN 62 HN GLN 62 -14.382 -5.929 0.077 483 HA GLN 62 HA GLN 62 -14.203 -6.333 -2.699 484 1HB GLN 62 HB2 GLN 62 -14.844 -4.105 -0.819 485 2HB GLN 62 HB1 GLN 62 -14.567 -3.651 -2.500 486 1HG GLN 62 HG2 GLN 62 -16.186 -5.625 -3.047 487 2HG GLN 62 HG1 GLN 62 -16.677 -5.474 -1.360 488 1HE2 GLN 62 HE22 GLN 62 -16.884 -3.990 -4.524 489 2HE2 GLN 62 HE21 GLN 62 -17.881 -2.694 -4.068 490 H ALA 63 HN ALA 63 -12.023 -4.589 -0.531 491 HA ALA 63 HA ALA 63 -10.424 -3.268 -2.497 492 1HB ALA 63 HB1 ALA 63 -9.407 -4.422 0.103 493 2HB ALA 63 HB2 ALA 63 -10.571 -3.097 0.102 494 3HB ALA 63 HB3 ALA 63 -8.990 -2.882 -0.649 495 H ARG 64 HN ARG 64 -10.110 -6.486 -0.975 496 HA ARG 64 HA ARG 64 -7.678 -7.278 -2.229 497 1HB ARG 64 HB2 ARG 64 -10.134 -8.692 -1.173 498 2HB ARG 64 HB1 ARG 64 -8.786 -9.607 -1.850 499 1HG ARG 64 HG1 ARG 64 -8.200 -9.521 0.407 500 2HG ARG 64 HG2 ARG 64 -7.341 -8.118 -0.225 501 1HD ARG 64 HD2 ARG 64 -8.901 -6.601 0.681 502 2HD ARG 64 HD1 ARG 64 -10.155 -7.847 0.818 503 HE ARG 64 HE ARG 64 -7.986 -7.393 2.727 504 1HH1 ARG 64 HH21 ARG 64 -10.196 -9.714 1.364 505 2HH1 ARG 64 HH22 ARG 64 -10.138 -10.746 2.750 506 1HH2 ARG 64 HH11 ARG 64 -7.931 -8.752 4.514 507 2HH2 ARG 64 HH12 ARG 64 -8.867 -10.208 4.520 508 H ALA 65 HN ALA 65 -11.028 -7.307 -3.354 509 HA ALA 65 HA ALA 65 -10.342 -8.744 -5.833 510 1HB ALA 65 HB1 ALA 65 -12.881 -7.738 -6.115 511 2HB ALA 65 HB2 ALA 65 -12.712 -7.751 -4.360 512 3HB ALA 65 HB3 ALA 65 -12.508 -9.244 -5.276 513 H LEU 66 HN LEU 66 -10.159 -5.489 -4.787 514 HA LEU 66 HA LEU 66 -10.772 -4.342 -7.434 515 1HB LEU 66 HB2 LEU 66 -11.416 -3.344 -5.204 516 2HB LEU 66 HB1 LEU 66 -9.710 -3.033 -4.906 517 HG LEU 66 HG LEU 66 -9.828 -1.886 -7.288 518 1HD1 LEU 66 HD11 LEU 66 -12.529 -1.011 -6.529 519 2HD1 LEU 66 HD12 LEU 66 -12.456 -2.699 -7.037 520 3HD1 LEU 66 HD13 LEU 66 -11.889 -1.427 -8.120 521 1HD2 LEU 66 HD21 LEU 66 -9.519 -0.035 -6.037 522 2HD2 LEU 66 HD22 LEU 66 -9.944 -1.000 -4.623 523 3HD2 LEU 66 HD23 LEU 66 -11.189 -0.081 -5.469 524 H ILE 67 HN ILE 67 -7.960 -3.587 -5.329 525 HA ILE 67 HA ILE 67 -6.295 -3.399 -7.767 526 HB ILE 67 HB ILE 67 -4.725 -2.286 -6.249 527 1HG1 ILE 67 HG12 ILE 67 -6.667 -3.010 -4.034 528 2HG1 ILE 67 HG11 ILE 67 -5.107 -3.786 -4.298 529 1HG2 ILE 67 HG21 ILE 67 -5.946 -0.371 -6.137 530 2HG2 ILE 67 HG22 ILE 67 -7.244 -1.135 -5.219 531 3HG2 ILE 67 HG23 ILE 67 -7.172 -1.327 -6.970 532 1HD1 ILE 67 HD11 ILE 67 -5.307 -0.794 -3.998 533 2HD1 ILE 67 HD12 ILE 67 -3.907 -1.834 -3.744 534 3HD1 ILE 67 HD13 ILE 67 -5.230 -1.837 -2.578 535 H LYS 68 HN LYS 68 -3.837 -4.051 -6.988 536 HA LYS 68 HA LYS 68 -2.403 -5.926 -6.871 537 1HB LYS 68 HB2 LYS 68 -4.288 -6.321 -4.521 538 2HB LYS 68 HB1 LYS 68 -2.703 -7.077 -4.673 539 1HG LYS 68 HG2 LYS 68 -2.974 -4.087 -4.903 540 2HG LYS 68 HG1 LYS 68 -2.900 -4.855 -3.316 541 1HD LYS 68 HD1 LYS 68 -0.639 -4.528 -3.691 542 2HD LYS 68 HD2 LYS 68 -0.829 -6.119 -4.425 543 1HE LYS 68 HE1 LYS 68 -1.528 -4.246 -6.435 544 2HE LYS 68 HE2 LYS 68 -0.037 -3.644 -5.686 545 1HZ LYS 68 HZ1 LYS 68 -0.532 -6.406 -6.680 546 2HZ LYS 68 HZ2 LYS 68 0.863 -5.917 -5.844 547 3HZ LYS 68 HZ3 LYS 68 0.515 -5.263 -7.372 548 H ILE 69 HN ILE 69 -3.131 -8.554 -5.783 549 HA ILE 69 HA ILE 69 -5.135 -9.487 -7.786 550 HB ILE 69 HB ILE 69 -3.604 -11.145 -8.615 551 1HG1 ILE 69 HG12 ILE 69 -2.570 -11.652 -6.358 552 2HG1 ILE 69 HG11 ILE 69 -1.444 -11.627 -7.706 553 1HG2 ILE 69 HG21 ILE 69 -1.902 -9.791 -9.623 554 2HG2 ILE 69 HG22 ILE 69 -1.950 -8.633 -8.293 555 3HG2 ILE 69 HG23 ILE 69 -3.316 -8.760 -9.402 556 1HD1 ILE 69 HD11 ILE 69 -1.508 -8.976 -6.747 557 2HD1 ILE 69 HD12 ILE 69 -0.206 -10.145 -6.557 558 3HD1 ILE 69 HD13 ILE 69 -1.446 -9.998 -5.315 559 H ASP 70 HN ASP 70 -3.309 -10.187 -4.817 560 HA ASP 70 HA ASP 70 -5.218 -12.407 -4.221 561 1HB ASP 70 HB1 ASP 70 -2.371 -11.759 -3.709 562 2HB ASP 70 HB2 ASP 70 -3.208 -12.522 -2.357 563 H VAL 71 HN VAL 71 -4.892 -12.426 -1.423 564 HA VAL 71 HA VAL 71 -6.467 -10.008 -0.727 565 HB VAL 71 HB VAL 71 -7.571 -12.050 -0.222 566 1HG1 VAL 71 HG21 VAL 71 -6.392 -13.942 0.044 567 2HG1 VAL 71 HG22 VAL 71 -5.978 -13.405 1.670 568 3HG1 VAL 71 HG23 VAL 71 -4.910 -13.043 0.323 569 1HG2 VAL 71 HG11 VAL 71 -6.970 -10.222 1.772 570 2HG2 VAL 71 HG12 VAL 71 -6.631 -11.778 2.530 571 3HG2 VAL 71 HG13 VAL 71 -8.225 -11.459 1.849 572 H ASN 72 HN ASN 72 -3.655 -11.811 0.680 573 HA ASN 72 HA ASN 72 -3.181 -10.036 2.847 574 1HB ASN 72 HB1 ASN 72 -1.770 -12.105 1.274 575 2HB ASN 72 HB2 ASN 72 -0.700 -10.939 2.052 576 1HD2 ASN 72 HD22 ASN 72 -3.119 -13.458 2.666 577 2HD2 ASN 72 HD21 ASN 72 -2.822 -13.586 4.332 578 H LYS 73 HN LYS 73 -2.625 -9.722 -0.563 579 HA LYS 73 HA LYS 73 -0.599 -7.668 -0.505 580 1HB LYS 73 HB2 LYS 73 -2.567 -8.884 -2.418 581 2HB LYS 73 HB1 LYS 73 -1.779 -7.380 -2.887 582 1HG LYS 73 HG1 LYS 73 -0.618 -9.554 -3.605 583 2HG LYS 73 HG2 LYS 73 0.386 -8.365 -2.803 584 1HD LYS 73 HD2 LYS 73 0.918 -10.508 -1.837 585 2HD LYS 73 HD1 LYS 73 -0.027 -9.637 -0.633 586 1HE LYS 73 HE2 LYS 73 -1.240 -11.609 -0.611 587 2HE LYS 73 HE1 LYS 73 -2.021 -10.865 -2.016 588 1HZ LYS 73 HZ1 LYS 73 -0.456 -11.924 -3.468 589 2HZ LYS 73 HZ2 LYS 73 -1.105 -13.127 -2.459 590 3HZ LYS 73 HZ3 LYS 73 0.451 -12.514 -2.159 591 H THR 74 HN THR 74 -4.090 -7.446 -1.322 592 HA THR 74 HA THR 74 -4.155 -4.567 -0.921 593 HB THR 74 HB THR 74 -6.400 -6.607 -0.978 594 HG1 THR 74 HG1 THR 74 -5.028 -5.281 -3.069 595 1HG2 THR 74 HG21 THR 74 -7.698 -4.779 -0.771 596 2HG2 THR 74 HG22 THR 74 -7.063 -4.205 -2.313 597 3HG2 THR 74 HG23 THR 74 -6.285 -3.727 -0.805 598 H ARG 75 HN ARG 75 -4.834 -7.408 1.060 599 HA ARG 75 HA ARG 75 -6.298 -6.225 3.164 600 1HB ARG 75 HB2 ARG 75 -5.902 -8.636 2.894 601 2HB ARG 75 HB1 ARG 75 -4.176 -8.403 3.169 602 1HG ARG 75 HG2 ARG 75 -5.768 -7.220 5.301 603 2HG ARG 75 HG1 ARG 75 -6.101 -8.942 5.123 604 1HD ARG 75 HD1 ARG 75 -3.783 -9.511 5.423 605 2HD ARG 75 HD2 ARG 75 -3.286 -7.814 5.276 606 HE ARG 75 HE ARG 75 -3.976 -7.486 7.518 607 1HH1 ARG 75 HH12 ARG 75 -5.378 -10.390 6.205 608 2HH1 ARG 75 HH11 ARG 75 -6.079 -10.864 7.713 609 1HH2 ARG 75 HH21 ARG 75 -4.896 -8.124 9.464 610 2HH2 ARG 75 HH22 ARG 75 -5.810 -9.593 9.545 611 H LYS 76 HN LYS 76 -2.779 -6.226 2.544 612 HA LYS 76 HA LYS 76 -2.222 -4.912 5.121 613 1HB LYS 76 HB2 LYS 76 -0.674 -5.805 2.689 614 2HB LYS 76 HB1 LYS 76 0.099 -4.814 3.926 615 1HG LYS 76 HG1 LYS 76 -0.795 -6.538 5.617 616 2HG LYS 76 HG2 LYS 76 -1.110 -7.568 4.221 617 1HD LYS 76 HD1 LYS 76 1.071 -8.118 4.052 618 2HD LYS 76 HD2 LYS 76 1.555 -6.422 4.084 619 1HE LYS 76 HE2 LYS 76 0.645 -7.327 6.710 620 2HE LYS 76 HE1 LYS 76 2.020 -8.279 6.117 621 1HZ LYS 76 HZ1 LYS 76 1.809 -5.326 6.360 622 2HZ LYS 76 HZ2 LYS 76 3.015 -6.081 5.432 623 3HZ LYS 76 HZ3 LYS 76 2.938 -6.351 7.108 624 H ILE 77 HN ILE 77 -2.237 -4.034 1.672 625 HA ILE 77 HA ILE 77 -1.370 -1.316 1.988 626 HB ILE 77 HB ILE 77 -3.194 -2.616 -0.075 627 1HG1 ILE 77 HG12 ILE 77 -0.246 -2.219 -0.432 628 2HG1 ILE 77 HG11 ILE 77 -0.810 -3.612 0.479 629 1HG2 ILE 77 HG21 ILE 77 -2.036 0.050 0.211 630 2HG2 ILE 77 HG22 ILE 77 -3.275 -0.518 -0.909 631 3HG2 ILE 77 HG23 ILE 77 -1.568 -0.719 -1.306 632 1HD1 ILE 77 HD11 ILE 77 -0.698 -4.405 -1.741 633 2HD1 ILE 77 HD12 ILE 77 -1.343 -2.903 -2.402 634 3HD1 ILE 77 HD13 ILE 77 -2.402 -4.009 -1.529 635 H TYR 78 HN TYR 78 -4.648 -2.632 1.441 636 HA TYR 78 HA TYR 78 -6.006 -0.164 1.904 637 1HB TYR 78 HB1 TYR 78 -6.600 -2.653 0.941 638 2HB TYR 78 HB2 TYR 78 -7.392 -2.710 2.514 639 HD1 TYR 78 HD1 TYR 78 -9.687 -2.325 2.211 640 HD2 TYR 78 HD2 TYR 78 -6.843 0.096 0.091 641 HE1 TYR 78 HE1 TYR 78 -11.535 -0.920 1.335 642 HE2 TYR 78 HE2 TYR 78 -8.689 1.498 -0.783 643 HH TYR 78 HH TYR 78 -11.385 1.893 0.339 644 H ASP 79 HN ASP 79 -5.357 -2.934 4.139 645 HA ASP 79 HA ASP 79 -6.847 -1.988 6.355 646 1HB ASP 79 HB1 ASP 79 -5.764 -4.164 6.314 647 2HB ASP 79 HB2 ASP 79 -4.171 -3.418 6.185 648 H PHE 80 HN PHE 80 -3.649 -1.008 5.174 649 HA PHE 80 HA PHE 80 -2.946 0.666 7.394 650 1HB PHE 80 HB1 PHE 80 -1.519 -0.241 5.471 651 2HB PHE 80 HB2 PHE 80 -2.213 1.036 4.473 652 HD1 PHE 80 HD1 PHE 80 -0.107 0.317 7.433 653 HD2 PHE 80 HD2 PHE 80 -1.593 3.351 4.781 654 HE1 PHE 80 HE1 PHE 80 1.531 1.931 8.362 655 HE2 PHE 80 HE2 PHE 80 0.044 4.965 5.709 656 HZ PHE 80 HZ PHE 80 1.607 4.256 7.499 657 H LEU 81 HN LEU 81 -4.229 1.615 4.164 658 HA LEU 81 HA LEU 81 -4.740 4.342 4.836 659 1HB LEU 81 HB1 LEU 81 -6.207 2.492 2.921 660 2HB LEU 81 HB2 LEU 81 -6.174 4.248 2.827 661 HG LEU 81 HG LEU 81 -3.521 2.920 2.926 662 1HD1 LEU 81 HD21 LEU 81 -5.548 2.417 0.786 663 2HD1 LEU 81 HD22 LEU 81 -4.249 1.375 1.365 664 3HD1 LEU 81 HD23 LEU 81 -3.885 2.720 0.285 665 1HD2 LEU 81 HD11 LEU 81 -3.146 5.100 2.430 666 2HD2 LEU 81 HD12 LEU 81 -4.810 5.355 1.906 667 3HD2 LEU 81 HD13 LEU 81 -3.632 4.662 0.792 668 H ILE 82 HN ILE 82 -6.849 1.482 5.008 669 HA ILE 82 HA ILE 82 -9.279 2.699 5.805 670 HB ILE 82 HB ILE 82 -7.941 0.053 6.475 671 1HG1 ILE 82 HG11 ILE 82 -8.471 0.698 4.051 672 2HG1 ILE 82 HG12 ILE 82 -9.114 -0.840 4.615 673 1HG2 ILE 82 HG21 ILE 82 -10.867 0.788 6.803 674 2HG2 ILE 82 HG22 ILE 82 -9.719 0.596 8.128 675 3HG2 ILE 82 HG23 ILE 82 -10.145 -0.789 7.123 676 1HD1 ILE 82 HD11 ILE 82 -11.224 -0.167 4.216 677 2HD1 ILE 82 HD12 ILE 82 -10.562 1.285 3.464 678 3HD1 ILE 82 HD13 ILE 82 -10.991 1.297 5.174 679 H ARG 83 HN ARG 83 -7.063 0.975 8.007 680 HA ARG 83 HA ARG 83 -8.055 1.948 10.439 681 1HB ARG 83 HB1 ARG 83 -5.430 0.954 9.386 682 2HB ARG 83 HB2 ARG 83 -5.480 1.574 11.028 683 1HG ARG 83 HG2 ARG 83 -5.868 -0.893 10.880 684 2HG ARG 83 HG1 ARG 83 -7.199 -0.017 11.613 685 1HD ARG 83 HD1 ARG 83 -8.402 -0.039 9.424 686 2HD ARG 83 HD2 ARG 83 -7.081 -1.008 8.737 687 HE ARG 83 HE ARG 83 -7.912 -2.860 9.951 688 1HH1 ARG 83 HH12 ARG 83 -9.112 0.122 11.289 689 2HH1 ARG 83 HH11 ARG 83 -10.143 -0.676 12.424 690 1HH2 ARG 83 HH22 ARG 83 -9.260 -3.871 11.433 691 2HH2 ARG 83 HH21 ARG 83 -10.229 -2.918 12.506 692 H GLU 84 HN GLU 84 -6.061 3.577 8.063 693 HA GLU 84 HA GLU 84 -5.357 5.775 9.916 694 1HB GLU 84 HB1 GLU 84 -4.702 4.879 7.131 695 2HB GLU 84 HB2 GLU 84 -4.462 6.579 7.523 696 1HG GLU 84 HG2 GLU 84 -2.413 5.238 7.934 697 2HG GLU 84 HG1 GLU 84 -3.028 5.968 9.415 698 H GLY 85 HN GLY 85 -5.572 7.999 8.381 699 1HA GLY 85 HA1 GLY 85 -8.512 8.356 8.170 700 2HA GLY 85 HA2 GLY 85 -7.330 9.659 8.282 701 H TYR 86 HN TYR 86 -6.650 7.015 6.130 702 HA TYR 86 HA TYR 86 -6.617 8.864 3.861 703 1HB TYR 86 HB2 TYR 86 -5.509 6.331 4.710 704 2HB TYR 86 HB1 TYR 86 -6.193 6.163 3.101 705 HD1 TYR 86 HD1 TYR 86 -3.187 6.489 4.422 706 HD2 TYR 86 HD2 TYR 86 -5.794 8.833 1.939 707 HE1 TYR 86 HE1 TYR 86 -1.223 7.672 3.477 708 HE2 TYR 86 HE2 TYR 86 -3.830 10.016 0.994 709 HH TYR 86 HH TYR 86 -0.598 9.538 2.295 710 H ILE 87 HN ILE 87 -8.332 5.803 4.614 711 HA ILE 87 HA ILE 87 -10.566 6.736 2.857 712 HB ILE 87 HB ILE 87 -10.617 4.427 1.910 713 1HG1 ILE 87 HG11 ILE 87 -8.042 4.053 3.469 714 2HG1 ILE 87 HG12 ILE 87 -9.590 3.333 3.911 715 1HG2 ILE 87 HG21 ILE 87 -7.779 5.148 1.498 716 2HG2 ILE 87 HG22 ILE 87 -8.922 6.467 1.245 717 3HG2 ILE 87 HG23 ILE 87 -9.079 4.975 0.318 718 1HD1 ILE 87 HD11 ILE 87 -9.655 2.025 1.909 719 2HD1 ILE 87 HD12 ILE 87 -8.022 1.844 2.549 720 3HD1 ILE 87 HD13 ILE 87 -8.323 2.930 1.192 721 H THR 88 HN THR 88 -12.217 4.514 3.153 722 HA THR 88 HA THR 88 -12.449 4.063 6.091 723 HB THR 88 HB THR 88 -15.010 4.555 5.530 724 HG1 THR 88 HG1 THR 88 -15.026 6.314 3.998 725 1HG2 THR 88 HG21 THR 88 -14.653 6.867 6.268 726 2HG2 THR 88 HG22 THR 88 -12.947 6.759 5.838 727 3HG2 THR 88 HG23 THR 88 -13.587 5.781 7.158 728 H LYS 89 HN LYS 89 -12.902 1.949 6.502 729 HA LYS 89 HA LYS 89 -13.212 -0.010 4.475 730 1HB LYS 89 HB1 LYS 89 -13.807 -1.465 6.397 731 2HB LYS 89 HB2 LYS 89 -12.435 -0.423 6.781 732 1HG LYS 89 HG2 LYS 89 -14.311 1.221 7.609 733 2HG LYS 89 HG1 LYS 89 -15.273 -0.251 7.733 734 1HD LYS 89 HD1 LYS 89 -14.274 -0.672 9.709 735 2HD LYS 89 HD2 LYS 89 -12.752 -0.879 8.842 736 1HE LYS 89 HE1 LYS 89 -12.048 1.308 9.296 737 2HE LYS 89 HE2 LYS 89 -13.705 1.898 9.522 738 1HZ LYS 89 HZ1 LYS 89 -12.325 1.448 11.612 739 2HZ LYS 89 HZ2 LYS 89 -12.548 -0.199 11.264 740 3HZ LYS 89 HZ3 LYS 89 -13.892 0.796 11.561 741 H ALA 90 HN ALA 90 -15.583 1.938 6.195 742 HA ALA 90 HA ALA 90 -17.653 1.299 4.249 743 1HB ALA 90 HB1 ALA 90 -18.988 0.413 6.482 744 2HB ALA 90 HB2 ALA 90 -17.358 -0.181 6.798 745 3HB ALA 90 HB3 ALA 90 -18.197 -0.654 5.321 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -14.869 8.613 -9.864 2 2H GLY 1 HT2 GLY 1 -13.884 7.495 -9.048 3 3H GLY 1 HT3 GLY 1 -13.372 9.104 -9.231 4 1HA GLY 1 HA1 GLY 1 -15.917 8.659 -7.871 5 2HA GLY 1 HA2 GLY 1 -14.441 8.246 -6.998 6 H SER 2 HN SER 2 -16.184 10.410 -6.278 7 HA SER 2 HA SER 2 -14.504 12.795 -6.974 8 1HB SER 2 HB1 SER 2 -17.073 12.515 -7.497 9 2HB SER 2 HB2 SER 2 -17.272 12.875 -5.782 10 HG SER 2 HG SER 2 -16.936 14.589 -7.710 11 H ASN 3 HN ASN 3 -16.353 11.294 -4.296 12 HA ASN 3 HA ASN 3 -14.788 12.917 -2.348 13 1HB ASN 3 HB1 ASN 3 -17.381 12.586 -2.455 14 2HB ASN 3 HB2 ASN 3 -17.049 11.002 -1.753 15 1HD2 ASN 3 HD21 ASN 3 -18.461 12.361 -0.002 16 2HD2 ASN 3 HD22 ASN 3 -17.527 13.126 1.191 17 H SER 4 HN SER 4 -13.988 11.727 -0.384 18 HA SER 4 HA SER 4 -12.836 9.086 -1.179 19 1HB SER 4 HB1 SER 4 -11.073 9.669 0.355 20 2HB SER 4 HB2 SER 4 -11.443 11.142 -0.541 21 HG SER 4 HG SER 4 -11.307 11.210 1.878 22 H GLY 5 HN GLY 5 -13.798 7.321 -0.262 23 1HA GLY 5 HA1 GLY 5 -14.111 6.508 2.250 24 2HA GLY 5 HA2 GLY 5 -15.422 7.687 2.195 25 H ARG 6 HN ARG 6 -15.831 7.014 -0.738 26 HA ARG 6 HA ARG 6 -17.221 4.385 -0.325 27 1HB ARG 6 HB1 ARG 6 -18.223 6.985 -0.843 28 2HB ARG 6 HB2 ARG 6 -18.400 6.092 -2.353 29 1HG ARG 6 HG2 ARG 6 -19.615 4.318 -1.221 30 2HG ARG 6 HG1 ARG 6 -19.321 5.066 0.348 31 1HD ARG 6 HD2 ARG 6 -20.803 6.502 -1.875 32 2HD ARG 6 HD1 ARG 6 -21.629 5.523 -0.648 33 HE ARG 6 HE ARG 6 -19.740 7.343 0.574 34 1HH1 ARG 6 HH21 ARG 6 -22.897 7.152 -0.881 35 2HH1 ARG 6 HH22 ARG 6 -23.507 8.509 0.000 36 1HH2 ARG 6 HH11 ARG 6 -20.556 9.102 1.707 37 2HH2 ARG 6 HH12 ARG 6 -22.194 9.606 1.455 38 H ARG 7 HN ARG 7 -16.399 2.843 -1.676 39 HA ARG 7 HA ARG 7 -15.512 3.666 -4.412 40 1HB ARG 7 HB1 ARG 7 -13.581 3.535 -2.852 41 2HB ARG 7 HB2 ARG 7 -14.036 1.883 -2.437 42 1HG ARG 7 HG1 ARG 7 -13.104 1.049 -4.324 43 2HG ARG 7 HG2 ARG 7 -13.832 2.304 -5.327 44 1HD ARG 7 HD1 ARG 7 -11.598 3.149 -3.533 45 2HD ARG 7 HD2 ARG 7 -11.174 2.179 -4.956 46 HE ARG 7 HE ARG 7 -12.212 4.903 -4.997 47 1HH1 ARG 7 HH21 ARG 7 -12.101 1.863 -6.690 48 2HH1 ARG 7 HH22 ARG 7 -12.388 2.587 -8.234 49 1HH2 ARG 7 HH11 ARG 7 -12.583 5.819 -7.012 50 2HH2 ARG 7 HH12 ARG 7 -12.660 4.810 -8.417 51 H SER 8 HN SER 8 -15.798 2.020 -5.994 52 HA SER 8 HA SER 8 -17.535 -0.250 -5.122 53 1HB SER 8 HB2 SER 8 -18.089 -0.259 -7.588 54 2HB SER 8 HB1 SER 8 -18.455 1.271 -6.793 55 HG SER 8 HG SER 8 -17.339 1.683 -8.684 56 H ALA 9 HN ALA 9 -16.716 -2.309 -5.219 57 HA ALA 9 HA ALA 9 -14.799 -3.178 -7.208 58 1HB ALA 9 HB1 ALA 9 -13.858 -1.796 -4.881 59 2HB ALA 9 HB2 ALA 9 -12.896 -2.543 -6.156 60 3HB ALA 9 HB3 ALA 9 -13.366 -3.484 -4.740 61 HA PRO 10 HA PRO 10 -15.999 -7.153 -5.778 62 1HB PRO 10 HB1 PRO 10 -13.656 -8.586 -5.531 63 2HB PRO 10 HB2 PRO 10 -14.399 -8.181 -7.087 64 1HG PRO 10 HG2 PRO 10 -12.119 -6.887 -5.697 65 2HG PRO 10 HG1 PRO 10 -12.353 -7.208 -7.416 66 1HD PRO 10 HD1 PRO 10 -12.712 -4.775 -6.267 67 2HD PRO 10 HD2 PRO 10 -13.572 -5.309 -7.716 68 HA PRO 11 HA PRO 11 -15.631 -6.382 -1.344 69 1HB PRO 11 HB1 PRO 11 -17.434 -8.758 -1.255 70 2HB PRO 11 HB2 PRO 11 -17.639 -7.163 -0.506 71 1HG PRO 11 HG1 PRO 11 -19.032 -7.919 -2.668 72 2HG PRO 11 HG2 PRO 11 -18.528 -6.244 -2.405 73 1HD PRO 11 HD2 PRO 11 -17.456 -8.267 -4.295 74 2HD PRO 11 HD1 PRO 11 -17.534 -6.500 -4.448 75 H LEU 12 HN LEU 12 -13.747 -7.111 -0.471 76 HA LEU 12 HA LEU 12 -13.233 -10.068 -0.453 77 1HB LEU 12 HB2 LEU 12 -11.540 -7.675 -1.022 78 2HB LEU 12 HB1 LEU 12 -10.778 -9.017 -0.169 79 HG LEU 12 HG LEU 12 -12.367 -10.040 -2.345 80 1HD1 LEU 12 HD11 LEU 12 -10.456 -8.928 -3.951 81 2HD1 LEU 12 HD12 LEU 12 -10.804 -7.591 -2.854 82 3HD1 LEU 12 HD13 LEU 12 -12.104 -8.317 -3.803 83 1HD2 LEU 12 HD21 LEU 12 -9.570 -10.130 -1.329 84 2HD2 LEU 12 HD22 LEU 12 -9.813 -10.576 -3.018 85 3HD2 LEU 12 HD23 LEU 12 -10.658 -11.455 -1.744 86 H ASN 13 HN ASN 13 -11.758 -7.304 1.139 87 HA ASN 13 HA ASN 13 -12.763 -8.191 3.785 88 1HB ASN 13 HB2 ASN 13 -10.026 -8.405 2.704 89 2HB ASN 13 HB1 ASN 13 -10.107 -7.631 4.288 90 1HD2 ASN 13 HD22 ASN 13 -8.941 -10.237 3.953 91 2HD2 ASN 13 HD21 ASN 13 -9.931 -11.369 4.742 92 H LEU 14 HN LEU 14 -10.845 -5.838 1.967 93 HA LEU 14 HA LEU 14 -11.190 -3.705 3.924 94 1HB LEU 14 HB1 LEU 14 -9.330 -4.163 2.150 95 2HB LEU 14 HB2 LEU 14 -10.444 -3.415 1.008 96 HG LEU 14 HG LEU 14 -10.432 -1.712 3.245 97 1HD1 LEU 14 HD11 LEU 14 -7.629 -1.597 2.614 98 2HD1 LEU 14 HD12 LEU 14 -8.019 -3.211 3.205 99 3HD1 LEU 14 HD13 LEU 14 -8.392 -1.799 4.192 100 1HD2 LEU 14 HD21 LEU 14 -10.593 -0.619 1.226 101 2HD2 LEU 14 HD22 LEU 14 -9.438 -1.692 0.435 102 3HD2 LEU 14 HD23 LEU 14 -8.863 -0.405 1.496 103 H THR 15 HN THR 15 -13.741 -4.501 3.539 104 HA THR 15 HA THR 15 -14.910 -2.315 1.869 105 HB THR 15 HB THR 15 -16.712 -4.297 1.498 106 HG1 THR 15 HG1 THR 15 -15.313 -5.714 2.741 107 1HG2 THR 15 HG21 THR 15 -15.178 -2.914 -0.130 108 2HG2 THR 15 HG22 THR 15 -15.909 -4.420 -0.687 109 3HG2 THR 15 HG23 THR 15 -14.222 -4.395 -0.173 110 H GLY 16 HN GLY 16 -15.161 -1.288 4.011 111 1HA GLY 16 HA1 GLY 16 -17.130 -0.699 5.403 112 2HA GLY 16 HA2 GLY 16 -17.472 -2.425 5.530 113 H LEU 17 HN LEU 17 -14.167 -1.369 5.691 114 HA LEU 17 HA LEU 17 -14.120 -2.101 8.587 115 1HB LEU 17 HB2 LEU 17 -12.318 -2.378 6.214 116 2HB LEU 17 HB1 LEU 17 -11.557 -2.253 7.788 117 HG LEU 17 HG LEU 17 -13.786 -4.203 7.171 118 1HD1 LEU 17 HD21 LEU 17 -11.478 -4.401 5.884 119 2HD1 LEU 17 HD22 LEU 17 -12.233 -5.832 6.585 120 3HD1 LEU 17 HD23 LEU 17 -10.915 -5.025 7.435 121 1HD2 LEU 17 HD11 LEU 17 -11.722 -4.045 9.380 122 2HD2 LEU 17 HD12 LEU 17 -12.950 -5.300 9.216 123 3HD2 LEU 17 HD13 LEU 17 -13.427 -3.634 9.542 124 HA PRO 18 HA PRO 18 -12.797 1.814 9.998 125 1HB PRO 18 HB1 PRO 18 -10.244 1.349 11.061 126 2HB PRO 18 HB2 PRO 18 -11.772 1.045 11.907 127 1HG PRO 18 HG1 PRO 18 -10.020 -0.848 10.406 128 2HG PRO 18 HG2 PRO 18 -10.890 -1.092 11.927 129 1HD PRO 18 HD1 PRO 18 -11.804 -2.113 9.649 130 2HD PRO 18 HD2 PRO 18 -12.924 -1.437 10.848 131 H GLY 19 HN GLY 19 -9.482 0.760 9.301 132 1HA GLY 19 HA2 GLY 19 -8.570 3.124 8.189 133 2HA GLY 19 HA1 GLY 19 -7.906 1.555 7.747 134 H THR 20 HN THR 20 -10.641 0.778 6.632 135 HA THR 20 HA THR 20 -10.269 1.062 3.925 136 HB THR 20 HB THR 20 -13.011 1.459 5.106 137 HG1 THR 20 HG1 THR 20 -11.463 -0.910 5.255 138 1HG2 THR 20 HG21 THR 20 -11.775 -0.130 2.857 139 2HG2 THR 20 HG22 THR 20 -13.054 1.081 2.768 140 3HG2 THR 20 HG23 THR 20 -13.388 -0.505 3.464 141 H GLU 21 HN GLU 21 -11.693 3.533 6.053 142 HA GLU 21 HA GLU 21 -12.279 5.316 3.787 143 1HB GLU 21 HB1 GLU 21 -13.741 5.222 5.748 144 2HB GLU 21 HB2 GLU 21 -12.385 5.594 6.810 145 1HG GLU 21 HG2 GLU 21 -12.756 7.794 6.517 146 2HG GLU 21 HG1 GLU 21 -12.491 7.606 4.784 147 H LYS 22 HN LYS 22 -9.713 4.807 6.120 148 HA LYS 22 HA LYS 22 -8.454 7.409 5.803 149 1HB LYS 22 HB1 LYS 22 -7.569 4.683 6.810 150 2HB LYS 22 HB2 LYS 22 -6.549 6.119 6.906 151 1HG LYS 22 HG2 LYS 22 -9.287 6.530 7.911 152 2HG LYS 22 HG1 LYS 22 -8.356 5.350 8.834 153 1HD LYS 22 HD1 LYS 22 -6.560 7.444 8.340 154 2HD LYS 22 HD2 LYS 22 -8.079 8.242 8.747 155 1HE LYS 22 HE1 LYS 22 -7.223 7.894 10.888 156 2HE LYS 22 HE2 LYS 22 -8.100 6.368 10.672 157 1HZ LYS 22 HZ1 LYS 22 -5.987 5.548 9.566 158 2HZ LYS 22 HZ2 LYS 22 -5.917 5.749 11.251 159 3HZ LYS 22 HZ3 LYS 22 -5.217 6.910 10.227 160 H LEU 23 HN LEU 23 -8.551 4.499 3.921 161 HA LEU 23 HA LEU 23 -6.004 5.004 2.536 162 1HB LEU 23 HB2 LEU 23 -8.300 3.091 1.960 163 2HB LEU 23 HB1 LEU 23 -6.661 2.968 1.321 164 HG LEU 23 HG LEU 23 -7.261 2.959 4.288 165 1HD1 LEU 23 HD21 LEU 23 -8.379 1.046 3.116 166 2HD1 LEU 23 HD22 LEU 23 -7.108 0.533 4.225 167 3HD1 LEU 23 HD23 LEU 23 -6.804 0.563 2.487 168 1HD2 LEU 23 HD11 LEU 23 -4.877 2.891 2.608 169 2HD2 LEU 23 HD12 LEU 23 -4.944 1.521 3.717 170 3HD2 LEU 23 HD13 LEU 23 -5.016 3.168 4.345 171 H ASN 24 HN ASN 24 -5.838 6.320 0.759 172 HA ASN 24 HA ASN 24 -7.880 7.956 -0.260 173 1HB ASN 24 HB2 ASN 24 -5.324 6.816 -1.419 174 2HB ASN 24 HB1 ASN 24 -6.289 7.999 -2.301 175 1HD2 ASN 24 HD21 ASN 24 -4.952 9.856 -2.095 176 2HD2 ASN 24 HD22 ASN 24 -4.505 10.528 -0.601 177 H GLU 25 HN GLU 25 -8.826 7.841 -2.525 178 HA GLU 25 HA GLU 25 -10.446 5.557 -2.907 179 1HB GLU 25 HB2 GLU 25 -10.806 6.587 -5.164 180 2HB GLU 25 HB1 GLU 25 -10.867 7.782 -3.869 181 1HG GLU 25 HG1 GLU 25 -8.795 8.694 -4.433 182 2HG GLU 25 HG2 GLU 25 -8.247 7.216 -5.223 183 H LYS 26 HN LYS 26 -7.125 6.116 -3.807 184 HA LYS 26 HA LYS 26 -7.078 3.901 -5.764 185 1HB LYS 26 HB2 LYS 26 -5.229 6.017 -4.703 186 2HB LYS 26 HB1 LYS 26 -4.521 4.609 -5.495 187 1HG LYS 26 HG1 LYS 26 -5.306 5.213 -7.554 188 2HG LYS 26 HG2 LYS 26 -6.820 5.840 -6.903 189 1HD LYS 26 HD2 LYS 26 -5.907 7.931 -6.432 190 2HD LYS 26 HD1 LYS 26 -4.264 7.300 -6.317 191 1HE LYS 26 HE2 LYS 26 -4.217 6.947 -8.762 192 2HE LYS 26 HE1 LYS 26 -5.877 7.562 -8.883 193 1HZ LYS 26 HZ1 LYS 26 -3.750 9.101 -7.516 194 2HZ LYS 26 HZ2 LYS 26 -5.229 9.662 -8.135 195 3HZ LYS 26 HZ3 LYS 26 -3.974 9.228 -9.194 196 H GLU 27 HN GLU 27 -5.990 4.601 -2.456 197 HA GLU 27 HA GLU 27 -4.506 2.157 -2.070 198 1HB GLU 27 HB2 GLU 27 -5.930 4.033 -0.143 199 2HB GLU 27 HB1 GLU 27 -4.721 2.837 0.322 200 1HG GLU 27 HG2 GLU 27 -3.061 3.958 -1.131 201 2HG GLU 27 HG1 GLU 27 -4.272 5.160 -1.577 202 H LYS 28 HN LYS 28 -7.888 3.104 -1.419 203 HA LYS 28 HA LYS 28 -8.787 0.820 -0.030 204 1HB LYS 28 HB2 LYS 28 -10.085 2.589 -2.133 205 2HB LYS 28 HB1 LYS 28 -10.985 1.431 -1.156 206 1HG LYS 28 HG2 LYS 28 -10.290 2.575 0.898 207 2HG LYS 28 HG1 LYS 28 -9.298 3.693 -0.040 208 1HD LYS 28 HD1 LYS 28 -11.295 4.897 0.322 209 2HD LYS 28 HD2 LYS 28 -11.501 4.242 -1.303 210 1HE LYS 28 HE2 LYS 28 -13.466 3.380 -0.521 211 2HE LYS 28 HE1 LYS 28 -12.462 2.206 0.349 212 1HZ LYS 28 HZ1 LYS 28 -12.267 3.780 2.174 213 2HZ LYS 28 HZ2 LYS 28 -13.904 3.445 1.870 214 3HZ LYS 28 HZ3 LYS 28 -13.224 4.908 1.340 215 H GLU 29 HN GLU 29 -8.621 1.356 -3.564 216 HA GLU 29 HA GLU 29 -9.551 -1.281 -4.279 217 1HB GLU 29 HB2 GLU 29 -8.926 1.160 -5.500 218 2HB GLU 29 HB1 GLU 29 -7.744 0.035 -6.168 219 1HG GLU 29 HG1 GLU 29 -9.603 -1.529 -6.731 220 2HG GLU 29 HG2 GLU 29 -10.756 -0.329 -6.147 221 H LEU 30 HN LEU 30 -6.366 0.110 -3.596 222 HA LEU 30 HA LEU 30 -4.661 -1.903 -4.607 223 1HB LEU 30 HB1 LEU 30 -4.609 0.317 -2.781 224 2HB LEU 30 HB2 LEU 30 -3.759 -1.033 -2.029 225 HG LEU 30 HG LEU 30 -3.173 -0.560 -4.902 226 1HD1 LEU 30 HD21 LEU 30 -2.195 1.290 -2.705 227 2HD1 LEU 30 HD22 LEU 30 -3.225 1.744 -4.062 228 3HD1 LEU 30 HD23 LEU 30 -1.558 1.245 -4.349 229 1HD2 LEU 30 HD11 LEU 30 -0.958 -0.732 -3.021 230 2HD2 LEU 30 HD12 LEU 30 -1.376 -1.810 -4.352 231 3HD2 LEU 30 HD13 LEU 30 -2.119 -2.036 -2.769 232 H CYS 31 HN CYS 31 -6.520 -1.801 -1.573 233 HA CYS 31 HA CYS 31 -5.477 -4.386 -0.653 234 1HB CYS 31 HB1 CYS 31 -7.436 -2.287 0.216 235 2HB CYS 31 HB2 CYS 31 -7.581 -3.893 0.931 236 HG CYS 31 HG CYS 31 -5.823 -2.204 2.207 237 H GLN 32 HN GLN 32 -8.322 -3.175 -2.367 238 HA GLN 32 HA GLN 32 -9.943 -5.536 -2.165 239 1HB GLN 32 HB2 GLN 32 -9.744 -3.371 -4.287 240 2HB GLN 32 HB1 GLN 32 -11.105 -4.477 -4.092 241 1HG GLN 32 HG1 GLN 32 -10.518 -3.290 -1.544 242 2HG GLN 32 HG2 GLN 32 -10.654 -2.009 -2.746 243 1HE2 GLN 32 HE22 GLN 32 -12.771 -1.227 -2.610 244 2HE2 GLN 32 HE21 GLN 32 -14.160 -2.201 -2.555 245 H VAL 33 HN VAL 33 -7.143 -4.754 -4.069 246 HA VAL 33 HA VAL 33 -7.582 -6.918 -6.040 247 HB VAL 33 HB VAL 33 -5.252 -5.054 -5.432 248 1HG1 VAL 33 HG11 VAL 33 -4.168 -5.874 -7.298 249 2HG1 VAL 33 HG12 VAL 33 -5.669 -6.354 -8.089 250 3HG1 VAL 33 HG13 VAL 33 -5.004 -7.340 -6.786 251 1HG2 VAL 33 HG21 VAL 33 -6.728 -4.635 -7.916 252 2HG2 VAL 33 HG22 VAL 33 -6.299 -3.472 -6.660 253 3HG2 VAL 33 HG23 VAL 33 -7.757 -4.451 -6.495 254 H VAL 34 HN VAL 34 -5.009 -6.060 -3.724 255 HA VAL 34 HA VAL 34 -4.364 -8.937 -3.352 256 HB VAL 34 HB VAL 34 -2.497 -7.929 -1.957 257 1HG1 VAL 34 HG21 VAL 34 -2.866 -7.034 -4.824 258 2HG1 VAL 34 HG22 VAL 34 -2.025 -8.474 -4.250 259 3HG1 VAL 34 HG23 VAL 34 -1.343 -6.876 -3.949 260 1HG2 VAL 34 HG11 VAL 34 -2.414 -5.719 -1.470 261 2HG2 VAL 34 HG12 VAL 34 -4.123 -5.699 -1.907 262 3HG2 VAL 34 HG13 VAL 34 -2.902 -5.255 -3.099 263 H ARG 35 HN ARG 35 -6.361 -9.456 -2.272 264 HA ARG 35 HA ARG 35 -7.881 -8.483 -0.316 265 1HB ARG 35 HB2 ARG 35 -7.663 -10.873 -1.214 266 2HB ARG 35 HB1 ARG 35 -6.491 -11.150 0.074 267 1HG ARG 35 HG1 ARG 35 -8.088 -11.047 1.736 268 2HG ARG 35 HG2 ARG 35 -9.106 -9.924 0.833 269 1HD ARG 35 HD1 ARG 35 -10.402 -11.754 0.386 270 2HD ARG 35 HD2 ARG 35 -9.125 -12.210 -0.758 271 HE ARG 35 HE ARG 35 -8.401 -12.974 1.931 272 1HH1 ARG 35 HH22 ARG 35 -10.449 -13.845 -0.749 273 2HH1 ARG 35 HH21 ARG 35 -10.491 -15.518 -0.314 274 1HH2 ARG 35 HH11 ARG 35 -8.474 -15.150 2.473 275 2HH2 ARG 35 HH12 ARG 35 -9.383 -16.253 1.495 276 H LEU 36 HN LEU 36 -6.926 -6.870 0.994 277 HA LEU 36 HA LEU 36 -5.176 -7.900 3.206 278 1HB LEU 36 HB1 LEU 36 -4.660 -5.966 1.098 279 2HB LEU 36 HB2 LEU 36 -4.521 -5.202 2.680 280 HG LEU 36 HG LEU 36 -3.267 -7.736 2.897 281 1HD1 LEU 36 HD21 LEU 36 -2.935 -6.447 0.249 282 2HD1 LEU 36 HD22 LEU 36 -2.716 -8.134 0.714 283 3HD1 LEU 36 HD23 LEU 36 -1.444 -6.956 1.042 284 1HD2 LEU 36 HD11 LEU 36 -2.726 -4.948 3.332 285 2HD2 LEU 36 HD12 LEU 36 -1.321 -5.691 2.567 286 3HD2 LEU 36 HD13 LEU 36 -1.954 -6.347 4.078 287 H VAL 37 HN VAL 37 -5.184 -6.304 5.090 288 HA VAL 37 HA VAL 37 -7.953 -5.264 5.498 289 HB VAL 37 HB VAL 37 -6.059 -5.104 7.755 290 1HG1 VAL 37 HG21 VAL 37 -8.831 -5.511 7.237 291 2HG1 VAL 37 HG22 VAL 37 -8.041 -5.235 8.789 292 3HG1 VAL 37 HG23 VAL 37 -8.254 -6.879 8.189 293 1HG2 VAL 37 HG11 VAL 37 -6.407 -7.716 6.316 294 2HG2 VAL 37 HG12 VAL 37 -6.341 -7.707 8.079 295 3HG2 VAL 37 HG13 VAL 37 -4.985 -7.076 7.144 296 HA PRO 38 HA PRO 38 -6.678 -1.076 5.295 297 1HB PRO 38 HB1 PRO 38 -7.820 -0.409 7.928 298 2HB PRO 38 HB2 PRO 38 -8.334 0.123 6.320 299 1HG PRO 38 HG2 PRO 38 -9.750 -1.605 7.837 300 2HG PRO 38 HG1 PRO 38 -9.786 -1.610 6.069 301 1HD PRO 38 HD1 PRO 38 -8.386 -3.447 7.946 302 2HD PRO 38 HD2 PRO 38 -9.125 -3.789 6.364 303 H GLY 39 HN GLY 39 -6.559 -1.876 8.793 304 1HA GLY 39 HA1 GLY 39 -4.225 -0.376 9.364 305 2HA GLY 39 HA2 GLY 39 -4.771 -1.757 10.311 306 H ALA 40 HN ALA 40 -4.637 -3.600 8.008 307 HA ALA 40 HA ALA 40 -1.991 -4.609 8.266 308 1HB ALA 40 HB1 ALA 40 -4.422 -5.057 6.713 309 2HB ALA 40 HB2 ALA 40 -3.232 -6.233 7.270 310 3HB ALA 40 HB3 ALA 40 -2.980 -5.375 5.750 311 H TYR 41 HN TYR 41 -3.380 -3.119 5.329 312 HA TYR 41 HA TYR 41 -0.890 -2.549 4.052 313 1HB TYR 41 HB2 TYR 41 -3.051 -2.611 2.905 314 2HB TYR 41 HB1 TYR 41 -3.658 -1.293 3.905 315 HD1 TYR 41 HD1 TYR 41 -1.728 -2.188 0.965 316 HD2 TYR 41 HD2 TYR 41 -2.625 0.995 3.707 317 HE1 TYR 41 HE1 TYR 41 -0.834 -0.536 -0.657 318 HE2 TYR 41 HE2 TYR 41 -1.731 2.646 2.086 319 HH TYR 41 HH TYR 41 0.172 1.825 -0.512 320 H LEU 42 HN LEU 42 -3.013 -0.551 6.108 321 HA LEU 42 HA LEU 42 -1.654 1.903 6.050 322 1HB LEU 42 HB1 LEU 42 -3.819 1.114 7.229 323 2HB LEU 42 HB2 LEU 42 -2.766 0.595 8.544 324 HG LEU 42 HG LEU 42 -1.814 2.996 8.470 325 1HD1 LEU 42 HD11 LEU 42 -4.149 3.144 6.614 326 2HD1 LEU 42 HD12 LEU 42 -2.626 4.033 6.574 327 3HD1 LEU 42 HD13 LEU 42 -3.892 4.503 7.708 328 1HD2 LEU 42 HD21 LEU 42 -4.253 3.707 9.532 329 2HD2 LEU 42 HD22 LEU 42 -3.010 2.801 10.396 330 3HD2 LEU 42 HD23 LEU 42 -4.329 1.946 9.594 331 H GLU 43 HN GLU 43 -0.778 -1.093 7.698 332 HA GLU 43 HA GLU 43 1.290 0.127 9.360 333 1HB GLU 43 HB1 GLU 43 -0.159 -2.097 9.553 334 2HB GLU 43 HB2 GLU 43 1.182 -2.787 8.639 335 1HG GLU 43 HG2 GLU 43 2.650 -2.576 10.383 336 2HG GLU 43 HG1 GLU 43 1.933 -1.063 10.936 337 H TYR 44 HN TYR 44 1.572 -2.362 6.778 338 HA TYR 44 HA TYR 44 4.345 -2.120 6.363 339 1HB TYR 44 HB2 TYR 44 2.157 -2.659 4.316 340 2HB TYR 44 HB1 TYR 44 3.842 -3.155 4.184 341 HD1 TYR 44 HD1 TYR 44 0.844 -4.572 4.676 342 HD2 TYR 44 HD2 TYR 44 4.551 -4.125 6.801 343 HE1 TYR 44 HE1 TYR 44 0.353 -6.632 5.968 344 HE2 TYR 44 HE2 TYR 44 4.060 -6.184 8.091 345 HH TYR 44 HH TYR 44 2.739 -8.103 8.054 346 H LYS 45 HN LYS 45 1.699 -0.194 4.976 347 HA LYS 45 HA LYS 45 3.313 1.311 3.134 348 1HB LYS 45 HB1 LYS 45 0.706 0.973 3.492 349 2HB LYS 45 HB2 LYS 45 0.869 2.410 4.502 350 1HG LYS 45 HG1 LYS 45 2.295 2.697 1.975 351 2HG LYS 45 HG2 LYS 45 0.580 2.370 1.723 352 1HD LYS 45 HD2 LYS 45 0.019 4.206 3.300 353 2HD LYS 45 HD1 LYS 45 1.739 4.552 3.486 354 1HE LYS 45 HE2 LYS 45 1.662 5.849 1.630 355 2HE LYS 45 HE1 LYS 45 1.139 4.448 0.675 356 1HZ LYS 45 HZ1 LYS 45 -0.543 6.339 2.230 357 2HZ LYS 45 HZ2 LYS 45 -1.122 4.832 1.704 358 3HZ LYS 45 HZ3 LYS 45 -0.627 5.995 0.569 359 H SER 46 HN SER 46 2.345 1.889 6.531 360 HA SER 46 HA SER 46 3.614 4.499 6.680 361 1HB SER 46 HB2 SER 46 2.224 2.565 8.409 362 2HB SER 46 HB1 SER 46 3.380 3.593 9.248 363 HG SER 46 HG SER 46 1.139 4.392 8.968 364 H ALA 47 HN ALA 47 4.500 1.242 7.843 365 HA ALA 47 HA ALA 47 6.922 1.827 9.136 366 1HB ALA 47 HB1 ALA 47 6.124 -0.523 7.375 367 2HB ALA 47 HB2 ALA 47 5.798 -0.363 9.101 368 3HB ALA 47 HB3 ALA 47 7.456 -0.547 8.531 369 H LEU 48 HN LEU 48 6.335 1.279 5.664 370 HA LEU 48 HA LEU 48 9.119 1.442 4.903 371 1HB LEU 48 HB2 LEU 48 6.505 1.820 3.400 372 2HB LEU 48 HB1 LEU 48 8.079 1.623 2.626 373 HG LEU 48 HG LEU 48 6.923 -0.383 4.580 374 1HD1 LEU 48 HD21 LEU 48 5.467 -0.824 2.885 375 2HD1 LEU 48 HD22 LEU 48 6.862 -1.594 2.128 376 3HD1 LEU 48 HD23 LEU 48 6.428 0.063 1.703 377 1HD2 LEU 48 HD11 LEU 48 9.068 -1.103 4.496 378 2HD2 LEU 48 HD12 LEU 48 9.448 -0.051 3.132 379 3HD2 LEU 48 HD13 LEU 48 8.702 -1.624 2.851 380 H LEU 49 HN LEU 49 6.427 3.810 4.858 381 HA LEU 49 HA LEU 49 7.708 5.972 3.604 382 1HB LEU 49 HB2 LEU 49 5.332 5.498 4.840 383 2HB LEU 49 HB1 LEU 49 6.096 6.535 6.045 384 HG LEU 49 HG LEU 49 6.702 7.963 3.860 385 1HD1 LEU 49 HD11 LEU 49 4.154 7.669 2.751 386 2HD1 LEU 49 HD12 LEU 49 4.718 6.014 2.984 387 3HD1 LEU 49 HD13 LEU 49 5.672 7.144 2.022 388 1HD2 LEU 49 HD21 LEU 49 5.250 8.481 5.966 389 2HD2 LEU 49 HD22 LEU 49 3.883 8.138 4.906 390 3HD2 LEU 49 HD23 LEU 49 4.999 9.446 4.511 391 H ASN 50 HN ASN 50 8.026 4.828 6.947 392 HA ASN 50 HA ASN 50 9.684 7.059 7.822 393 1HB ASN 50 HB2 ASN 50 8.165 5.386 9.134 394 2HB ASN 50 HB1 ASN 50 9.548 4.295 9.046 395 1HD2 ASN 50 HD21 ASN 50 11.611 5.082 10.052 396 2HD2 ASN 50 HD22 ASN 50 11.547 6.233 11.298 397 H GLU 51 HN GLU 51 10.339 3.651 6.919 398 HA GLU 51 HA GLU 51 13.165 3.707 7.300 399 1HB GLU 51 HB1 GLU 51 11.799 1.679 6.986 400 2HB GLU 51 HB2 GLU 51 11.399 2.183 5.344 401 1HG GLU 51 HG1 GLU 51 13.226 0.513 5.350 402 2HG GLU 51 HG2 GLU 51 13.779 2.062 4.717 403 H CYS 52 HN CYS 52 11.176 4.473 4.437 404 HA CYS 52 HA CYS 52 13.324 4.937 2.609 405 1HB CYS 52 HB1 CYS 52 10.852 4.650 2.146 406 2HB CYS 52 HB2 CYS 52 10.601 6.282 2.764 407 HG CYS 52 HG CYS 52 11.970 7.229 0.779 408 H HIS 53 HN HIS 53 11.544 7.164 4.776 409 HA HIS 53 HA HIS 53 12.962 9.543 4.015 410 1HB HIS 53 HB2 HIS 53 10.759 9.143 5.351 411 2HB HIS 53 HB1 HIS 53 11.814 8.952 6.752 412 HD1 HIS 53 HD1 HIS 53 11.469 11.132 7.976 413 HD2 HIS 53 HD2 HIS 53 12.248 11.713 3.922 414 HE1 HIS 53 HE1 HIS 53 11.741 13.628 7.649 415 H LYS 54 HN LYS 54 13.803 6.851 6.060 416 HA LYS 54 HA LYS 54 15.879 8.278 7.561 417 1HB LYS 54 HB1 LYS 54 14.418 6.223 8.206 418 2HB LYS 54 HB2 LYS 54 15.552 5.289 7.231 419 1HG LYS 54 HG2 LYS 54 17.208 6.884 8.795 420 2HG LYS 54 HG1 LYS 54 15.904 6.445 9.898 421 1HD LYS 54 HD1 LYS 54 17.703 4.762 9.969 422 2HD LYS 54 HD2 LYS 54 16.223 4.060 9.314 423 1HE LYS 54 HE1 LYS 54 17.561 3.369 7.592 424 2HE LYS 54 HE2 LYS 54 17.471 5.055 7.048 425 1HZ LYS 54 HZ1 LYS 54 19.784 4.101 7.466 426 2HZ LYS 54 HZ2 LYS 54 19.399 4.173 9.119 427 3HZ LYS 54 HZ3 LYS 54 19.429 5.596 8.192 428 H GLN 55 HN GLN 55 15.897 5.691 5.071 429 HA GLN 55 HA GLN 55 18.791 6.025 4.659 430 1HB GLN 55 HB2 GLN 55 16.576 4.308 3.513 431 2HB GLN 55 HB1 GLN 55 18.215 4.250 2.866 432 1HG GLN 55 HG1 GLN 55 18.884 3.961 5.401 433 2HG GLN 55 HG2 GLN 55 17.215 3.417 5.571 434 1HE2 GLN 55 HE21 GLN 55 16.795 2.019 3.190 435 2HE2 GLN 55 HE22 GLN 55 17.871 0.710 3.086 436 H GLY 56 HN GLY 56 15.779 6.883 2.998 437 1HA GLY 56 HA1 GLY 56 15.717 8.868 1.561 438 2HA GLY 56 HA2 GLY 56 17.400 8.558 1.135 439 H GLY 57 HN GLY 57 17.743 6.360 0.009 440 1HA GLY 57 HA1 GLY 57 15.652 6.100 -2.085 441 2HA GLY 57 HA2 GLY 57 17.311 5.513 -2.215 442 H LEU 58 HN LEU 58 14.275 4.395 -2.028 443 HA LEU 58 HA LEU 58 15.067 2.001 -0.398 444 1HB LEU 58 HB1 LEU 58 12.908 3.864 -0.199 445 2HB LEU 58 HB2 LEU 58 12.224 2.317 -0.692 446 HG LEU 58 HG LEU 58 12.344 2.524 1.780 447 1HD1 LEU 58 HD11 LEU 58 12.457 0.280 1.407 448 2HD1 LEU 58 HD12 LEU 58 14.135 0.464 1.916 449 3HD1 LEU 58 HD13 LEU 58 13.731 0.448 0.199 450 1HD2 LEU 58 HD21 LEU 58 14.317 2.952 2.929 451 2HD2 LEU 58 HD22 LEU 58 14.578 3.920 1.478 452 3HD2 LEU 58 HD23 LEU 58 15.331 2.332 1.626 453 H ARG 59 HN ARG 59 15.836 0.863 -2.287 454 HA ARG 59 HA ARG 59 14.659 0.600 -4.797 455 1HB ARG 59 HB1 ARG 59 16.351 -1.017 -2.975 456 2HB ARG 59 HB2 ARG 59 15.576 -1.927 -4.272 457 1HG ARG 59 HG2 ARG 59 16.598 0.544 -5.335 458 2HG ARG 59 HG1 ARG 59 17.883 -0.280 -4.450 459 1HD ARG 59 HD2 ARG 59 17.875 -2.111 -5.883 460 2HD ARG 59 HD1 ARG 59 16.161 -1.907 -6.295 461 HE ARG 59 HE ARG 59 16.815 -0.371 -7.975 462 1HH1 ARG 59 HH11 ARG 59 19.381 -0.857 -5.674 463 2HH1 ARG 59 HH12 ARG 59 20.517 0.083 -6.577 464 1HH2 ARG 59 HH21 ARG 59 18.308 0.845 -9.128 465 2HH2 ARG 59 HH22 ARG 59 19.916 1.040 -8.518 466 H LEU 60 HN LEU 60 13.417 -1.347 -5.643 467 HA LEU 60 HA LEU 60 10.950 -1.682 -4.101 468 1HB LEU 60 HB2 LEU 60 11.159 -1.345 -6.594 469 2HB LEU 60 HB1 LEU 60 11.894 -2.942 -6.704 470 HG LEU 60 HG LEU 60 9.875 -4.016 -5.957 471 1HD1 LEU 60 HD11 LEU 60 8.956 -2.709 -4.249 472 2HD1 LEU 60 HD12 LEU 60 7.830 -2.398 -5.571 473 3HD1 LEU 60 HD13 LEU 60 9.086 -1.220 -5.190 474 1HD2 LEU 60 HD21 LEU 60 8.668 -3.699 -7.882 475 2HD2 LEU 60 HD22 LEU 60 10.064 -2.719 -8.327 476 3HD2 LEU 60 HD23 LEU 60 8.614 -1.946 -7.683 477 H ALA 61 HN ALA 61 13.518 -3.879 -5.310 478 HA ALA 61 HA ALA 61 12.581 -6.322 -4.302 479 1HB ALA 61 HB1 ALA 61 15.252 -5.049 -4.801 480 2HB ALA 61 HB2 ALA 61 14.513 -6.435 -5.602 481 3HB ALA 61 HB3 ALA 61 15.218 -6.618 -3.996 482 H GLN 62 HN GLN 62 14.824 -4.089 -2.599 483 HA GLN 62 HA GLN 62 14.981 -5.407 -0.128 484 1HB GLN 62 HB1 GLN 62 15.125 -2.592 -1.132 485 2HB GLN 62 HB2 GLN 62 15.061 -2.821 0.616 486 1HG GLN 62 HG1 GLN 62 17.392 -2.798 -0.072 487 2HG GLN 62 HG2 GLN 62 16.970 -4.441 0.408 488 1HE2 GLN 62 HE22 GLN 62 18.184 -5.747 -1.009 489 2HE2 GLN 62 HE21 GLN 62 18.172 -5.592 -2.699 490 H ALA 63 HN ALA 63 12.394 -3.353 -1.396 491 HA ALA 63 HA ALA 63 10.896 -3.055 1.030 492 1HB ALA 63 HB1 ALA 63 9.279 -2.154 -0.428 493 2HB ALA 63 HB2 ALA 63 9.682 -3.283 -1.720 494 3HB ALA 63 HB3 ALA 63 10.766 -1.941 -1.351 495 H ARG 64 HN ARG 64 10.737 -5.476 -1.594 496 HA ARG 64 HA ARG 64 8.518 -6.969 -0.690 497 1HB ARG 64 HB1 ARG 64 11.057 -7.560 -2.199 498 2HB ARG 64 HB2 ARG 64 9.931 -8.867 -1.835 499 1HG ARG 64 HG1 ARG 64 9.186 -8.106 -3.927 500 2HG ARG 64 HG2 ARG 64 8.124 -7.257 -2.807 501 1HD ARG 64 HD2 ARG 64 9.383 -5.225 -3.018 502 2HD ARG 64 HD1 ARG 64 10.708 -6.064 -3.847 503 HE ARG 64 HE ARG 64 8.176 -5.247 -5.062 504 1HH1 ARG 64 HH21 ARG 64 10.826 -7.505 -5.151 505 2HH1 ARG 64 HH22 ARG 64 10.602 -7.869 -6.827 506 1HH2 ARG 64 HH12 ARG 64 7.909 -5.740 -7.238 507 2HH2 ARG 64 HH11 ARG 64 8.968 -6.880 -7.999 508 H ALA 65 HN ALA 65 11.967 -7.322 0.168 509 HA ALA 65 HA ALA 65 11.433 -9.468 2.079 510 1HB ALA 65 HB1 ALA 65 13.904 -7.781 2.147 511 2HB ALA 65 HB2 ALA 65 13.567 -8.660 0.656 512 3HB ALA 65 HB3 ALA 65 13.751 -9.537 2.174 513 H LEU 66 HN LEU 66 10.866 -6.137 2.208 514 HA LEU 66 HA LEU 66 11.609 -5.814 5.046 515 1HB LEU 66 HB2 LEU 66 11.611 -4.168 2.898 516 2HB LEU 66 HB1 LEU 66 10.021 -3.780 3.553 517 HG LEU 66 HG LEU 66 12.606 -3.742 5.139 518 1HD1 LEU 66 HD21 LEU 66 11.812 -1.909 3.256 519 2HD1 LEU 66 HD22 LEU 66 12.823 -1.531 4.650 520 3HD1 LEU 66 HD23 LEU 66 11.083 -1.252 4.721 521 1HD2 LEU 66 HD11 LEU 66 9.719 -3.140 5.787 522 2HD2 LEU 66 HD12 LEU 66 11.036 -2.447 6.733 523 3HD2 LEU 66 HD13 LEU 66 10.836 -4.198 6.649 524 H ILE 67 HN ILE 67 8.552 -4.988 3.334 525 HA ILE 67 HA ILE 67 7.086 -5.523 5.840 526 HB ILE 67 HB ILE 67 5.232 -4.462 4.548 527 1HG1 ILE 67 HG12 ILE 67 7.212 -4.025 2.320 528 2HG1 ILE 67 HG11 ILE 67 6.177 -5.452 2.340 529 1HG2 ILE 67 HG21 ILE 67 6.185 -2.269 4.486 530 2HG2 ILE 67 HG22 ILE 67 7.801 -2.910 4.186 531 3HG2 ILE 67 HG23 ILE 67 7.038 -3.142 5.759 532 1HD1 ILE 67 HD11 ILE 67 4.203 -4.167 2.184 533 2HD1 ILE 67 HD12 ILE 67 5.317 -3.337 1.097 534 3HD1 ILE 67 HD13 ILE 67 5.017 -2.694 2.711 535 H LYS 68 HN LYS 68 4.696 -6.313 5.130 536 HA LYS 68 HA LYS 68 3.503 -8.322 4.917 537 1HB LYS 68 HB2 LYS 68 4.690 -7.621 2.250 538 2HB LYS 68 HB1 LYS 68 3.508 -8.923 2.424 539 1HG LYS 68 HG1 LYS 68 2.536 -6.738 3.954 540 2HG LYS 68 HG2 LYS 68 3.045 -6.087 2.408 541 1HD LYS 68 HD1 LYS 68 1.246 -6.985 1.385 542 2HD LYS 68 HD2 LYS 68 1.648 -8.584 2.009 543 1HE LYS 68 HE2 LYS 68 0.288 -6.484 3.722 544 2HE LYS 68 HE1 LYS 68 -0.616 -7.669 2.760 545 1HZ LYS 68 HZ1 LYS 68 1.353 -8.178 4.920 546 2HZ LYS 68 HZ2 LYS 68 0.904 -9.381 3.811 547 3HZ LYS 68 HZ3 LYS 68 -0.263 -8.694 4.836 548 H ILE 69 HN ILE 69 4.877 -10.189 2.560 549 HA ILE 69 HA ILE 69 6.870 -11.492 4.324 550 HB ILE 69 HB ILE 69 5.375 -13.634 4.097 551 1HG1 ILE 69 HG11 ILE 69 2.982 -13.216 3.958 552 2HG1 ILE 69 HG12 ILE 69 3.257 -11.483 3.791 553 1HG2 ILE 69 HG21 ILE 69 5.833 -11.984 6.105 554 2HG2 ILE 69 HG22 ILE 69 4.580 -13.219 6.226 555 3HG2 ILE 69 HG23 ILE 69 4.142 -11.554 5.846 556 1HD1 ILE 69 HD11 ILE 69 2.827 -12.962 1.657 557 2HD1 ILE 69 HD12 ILE 69 4.536 -13.357 1.837 558 3HD1 ILE 69 HD13 ILE 69 4.036 -11.679 1.614 559 H ASP 70 HN ASP 70 5.763 -10.987 1.090 560 HA ASP 70 HA ASP 70 7.659 -13.124 0.203 561 1HB ASP 70 HB1 ASP 70 4.780 -12.862 -0.191 562 2HB ASP 70 HB2 ASP 70 5.650 -13.084 -1.710 563 H VAL 71 HN VAL 71 5.664 -11.203 -1.993 564 HA VAL 71 HA VAL 71 7.733 -9.252 -2.581 565 HB VAL 71 HB VAL 71 8.847 -11.301 -3.321 566 1HG1 VAL 71 HG21 VAL 71 6.604 -11.781 -5.277 567 2HG1 VAL 71 HG22 VAL 71 6.554 -12.478 -3.659 568 3HG1 VAL 71 HG23 VAL 71 7.868 -12.896 -4.758 569 1HG2 VAL 71 HG11 VAL 71 8.057 -9.178 -5.155 570 2HG2 VAL 71 HG12 VAL 71 8.413 -10.680 -6.007 571 3HG2 VAL 71 HG13 VAL 71 9.627 -9.954 -4.954 572 H ASN 72 HN ASN 72 5.035 -11.159 -3.960 573 HA ASN 72 HA ASN 72 4.296 -9.105 -5.902 574 1HB ASN 72 HB2 ASN 72 3.792 -11.687 -5.760 575 2HB ASN 72 HB1 ASN 72 2.451 -11.189 -4.728 576 1HD2 ASN 72 HD22 ASN 72 2.736 -12.184 -7.725 577 2HD2 ASN 72 HD21 ASN 72 1.736 -11.100 -8.565 578 H LYS 73 HN LYS 73 3.579 -9.891 -2.592 579 HA LYS 73 HA LYS 73 1.288 -8.215 -2.177 580 1HB LYS 73 HB2 LYS 73 3.451 -9.579 -0.591 581 2HB LYS 73 HB1 LYS 73 2.408 -8.438 0.243 582 1HG LYS 73 HG2 LYS 73 1.453 -10.660 0.448 583 2HG LYS 73 HG1 LYS 73 0.421 -9.705 -0.617 584 1HD LYS 73 HD1 LYS 73 0.782 -11.938 -1.572 585 2HD LYS 73 HD2 LYS 73 1.566 -10.731 -2.585 586 1HE LYS 73 HE2 LYS 73 3.548 -11.797 -2.300 587 2HE LYS 73 HE1 LYS 73 3.420 -11.545 -0.548 588 1HZ LYS 73 HZ1 LYS 73 3.437 -13.931 -1.222 589 2HZ LYS 73 HZ2 LYS 73 1.971 -13.672 -2.040 590 3HZ LYS 73 HZ3 LYS 73 2.048 -13.480 -0.355 591 H THR 74 HN THR 74 4.694 -7.722 -1.182 592 HA THR 74 HA THR 74 4.428 -4.937 -0.561 593 HB THR 74 HB THR 74 6.802 -6.593 -1.493 594 HG1 THR 74 HG1 THR 74 6.600 -7.478 0.378 595 1HG2 THR 74 HG21 THR 74 6.510 -3.799 -0.759 596 2HG2 THR 74 HG22 THR 74 7.926 -4.640 -1.390 597 3HG2 THR 74 HG23 THR 74 7.607 -4.628 0.345 598 H ARG 75 HN ARG 75 5.456 -6.660 -3.518 599 HA ARG 75 HA ARG 75 6.234 -4.531 -5.150 600 1HB ARG 75 HB2 ARG 75 6.339 -6.868 -5.822 601 2HB ARG 75 HB1 ARG 75 4.584 -7.015 -5.743 602 1HG ARG 75 HG1 ARG 75 4.281 -5.629 -7.651 603 2HG ARG 75 HG2 ARG 75 5.938 -5.029 -7.576 604 1HD ARG 75 HD1 ARG 75 6.316 -7.761 -7.789 605 2HD ARG 75 HD2 ARG 75 4.902 -7.483 -8.824 606 HE ARG 75 HE ARG 75 7.600 -6.498 -9.322 607 1HH1 ARG 75 HH21 ARG 75 4.204 -5.864 -9.745 608 2HH1 ARG 75 HH22 ARG 75 4.451 -4.877 -11.143 609 1HH2 ARG 75 HH11 ARG 75 7.896 -5.214 -11.138 610 2HH2 ARG 75 HH12 ARG 75 6.525 -4.510 -11.928 611 H LYS 76 HN LYS 76 2.934 -5.510 -4.243 612 HA LYS 76 HA LYS 76 1.623 -3.677 -6.042 613 1HB LYS 76 HB1 LYS 76 1.018 -5.587 -3.888 614 2HB LYS 76 HB2 LYS 76 -0.139 -4.270 -4.040 615 1HG LYS 76 HG2 LYS 76 0.476 -5.088 -6.673 616 2HG LYS 76 HG1 LYS 76 0.231 -6.554 -5.750 617 1HD LYS 76 HD2 LYS 76 -1.968 -6.109 -6.303 618 2HD LYS 76 HD1 LYS 76 -1.859 -5.169 -4.815 619 1HE LYS 76 HE1 LYS 76 -2.780 -3.635 -6.380 620 2HE LYS 76 HE2 LYS 76 -1.053 -3.231 -6.385 621 1HZ LYS 76 HZ1 LYS 76 -0.699 -4.507 -8.307 622 2HZ LYS 76 HZ2 LYS 76 -2.132 -3.657 -8.634 623 3HZ LYS 76 HZ3 LYS 76 -2.200 -5.292 -8.181 624 H ILE 77 HN ILE 77 1.768 -3.641 -2.447 625 HA ILE 77 HA ILE 77 0.791 -0.999 -2.109 626 HB ILE 77 HB ILE 77 2.756 -2.646 -0.470 627 1HG1 ILE 77 HG11 ILE 77 -0.264 -2.370 -0.346 628 2HG1 ILE 77 HG12 ILE 77 0.625 -3.793 -0.883 629 1HG2 ILE 77 HG21 ILE 77 1.791 0.042 -0.126 630 2HG2 ILE 77 HG22 ILE 77 2.866 -0.881 0.924 631 3HG2 ILE 77 HG23 ILE 77 1.119 -0.978 1.147 632 1HD1 ILE 77 HD11 ILE 77 0.542 -2.606 1.896 633 2HD1 ILE 77 HD12 ILE 77 1.742 -3.802 1.410 634 3HD1 ILE 77 HD13 ILE 77 0.028 -4.216 1.393 635 H TYR 78 HN TYR 78 4.170 -2.141 -2.269 636 HA TYR 78 HA TYR 78 5.379 0.430 -1.973 637 1HB TYR 78 HB1 TYR 78 6.145 -2.213 -2.094 638 2HB TYR 78 HB2 TYR 78 6.793 -1.576 -3.605 639 HD1 TYR 78 HD1 TYR 78 6.617 -0.926 0.062 640 HD2 TYR 78 HD2 TYR 78 8.742 -0.213 -3.596 641 HE1 TYR 78 HE1 TYR 78 8.427 0.194 1.329 642 HE2 TYR 78 HE2 TYR 78 10.557 0.903 -2.328 643 HH TYR 78 HH TYR 78 10.332 2.136 0.486 644 H ASP 79 HN ASP 79 4.670 -1.472 -4.958 645 HA ASP 79 HA ASP 79 5.743 0.288 -6.866 646 1HB ASP 79 HB1 ASP 79 4.802 -1.854 -7.475 647 2HB ASP 79 HB2 ASP 79 3.221 -1.407 -6.839 648 H PHE 80 HN PHE 80 2.766 0.582 -4.988 649 HA PHE 80 HA PHE 80 1.677 2.805 -6.472 650 1HB PHE 80 HB1 PHE 80 0.436 1.272 -4.921 651 2HB PHE 80 HB2 PHE 80 1.318 1.976 -3.565 652 HD1 PHE 80 HD1 PHE 80 -0.716 3.062 -6.530 653 HD2 PHE 80 HD2 PHE 80 0.345 3.762 -2.427 654 HE1 PHE 80 HE1 PHE 80 -2.358 4.917 -6.421 655 HE2 PHE 80 HE2 PHE 80 -1.297 5.617 -2.318 656 HZ PHE 80 HZ PHE 80 -2.648 6.195 -4.316 657 H LEU 81 HN LEU 81 3.340 2.726 -3.273 658 HA LEU 81 HA LEU 81 3.584 5.560 -3.024 659 1HB LEU 81 HB2 LEU 81 5.331 3.293 -1.994 660 2HB LEU 81 HB1 LEU 81 5.334 4.935 -1.358 661 HG LEU 81 HG LEU 81 2.624 3.964 -1.471 662 1HD1 LEU 81 HD21 LEU 81 3.986 2.335 0.556 663 2HD1 LEU 81 HD22 LEU 81 4.377 1.852 -1.094 664 3HD1 LEU 81 HD23 LEU 81 2.697 1.887 -0.561 665 1HD2 LEU 81 HD11 LEU 81 3.238 4.192 1.166 666 2HD2 LEU 81 HD12 LEU 81 2.895 5.578 0.130 667 3HD2 LEU 81 HD13 LEU 81 4.565 5.113 0.457 668 H ILE 82 HN ILE 82 5.821 3.149 -4.408 669 HA ILE 82 HA ILE 82 8.051 4.801 -4.937 670 HB ILE 82 HB ILE 82 6.807 2.469 -6.441 671 1HG1 ILE 82 HG11 ILE 82 7.476 2.117 -4.043 672 2HG1 ILE 82 HG12 ILE 82 8.343 1.094 -5.183 673 1HG2 ILE 82 HG21 ILE 82 9.366 2.216 -7.101 674 2HG2 ILE 82 HG22 ILE 82 9.370 3.964 -6.860 675 3HG2 ILE 82 HG23 ILE 82 8.288 3.240 -8.050 676 1HD1 ILE 82 HD11 ILE 82 9.555 2.614 -3.261 677 2HD1 ILE 82 HD12 ILE 82 9.624 3.702 -4.648 678 3HD1 ILE 82 HD13 ILE 82 10.341 2.094 -4.752 679 H ARG 83 HN ARG 83 5.574 3.847 -7.316 680 HA ARG 83 HA ARG 83 6.370 5.808 -9.251 681 1HB ARG 83 HB1 ARG 83 4.082 3.916 -8.802 682 2HB ARG 83 HB2 ARG 83 4.030 5.048 -10.154 683 1HG ARG 83 HG1 ARG 83 5.383 3.677 -11.307 684 2HG ARG 83 HG2 ARG 83 6.645 3.944 -10.114 685 1HD ARG 83 HD2 ARG 83 6.057 2.011 -8.876 686 2HD ARG 83 HD1 ARG 83 4.454 1.910 -9.636 687 HE ARG 83 HE ARG 83 6.051 1.717 -11.818 688 1HH1 ARG 83 HH21 ARG 83 6.275 0.152 -8.714 689 2HH1 ARG 83 HH22 ARG 83 7.060 -1.245 -9.357 690 1HH2 ARG 83 HH11 ARG 83 7.067 -0.109 -12.621 691 2HH2 ARG 83 HH12 ARG 83 7.505 -1.396 -11.548 692 H GLU 84 HN GLU 84 4.259 6.040 -6.479 693 HA GLU 84 HA GLU 84 2.972 8.492 -7.535 694 1HB GLU 84 HB1 GLU 84 2.532 6.842 -5.012 695 2HB GLU 84 HB2 GLU 84 1.569 8.237 -5.494 696 1HG GLU 84 HG1 GLU 84 1.887 5.989 -7.446 697 2HG GLU 84 HG2 GLU 84 0.778 5.774 -6.093 698 H GLY 85 HN GLY 85 2.790 9.992 -5.330 699 1HA GLY 85 HA2 GLY 85 5.616 10.587 -4.717 700 2HA GLY 85 HA1 GLY 85 4.246 11.631 -4.430 701 H TYR 86 HN TYR 86 6.004 8.850 -3.195 702 HA TYR 86 HA TYR 86 5.014 9.499 -0.478 703 1HB TYR 86 HB1 TYR 86 4.515 6.933 -2.006 704 2HB TYR 86 HB2 TYR 86 4.441 6.991 -0.246 705 HD1 TYR 86 HD1 TYR 86 2.795 8.498 0.888 706 HD2 TYR 86 HD2 TYR 86 2.777 7.879 -3.362 707 HE1 TYR 86 HE1 TYR 86 0.497 9.421 0.764 708 HE2 TYR 86 HE2 TYR 86 0.479 8.801 -3.487 709 HH TYR 86 HH TYR 86 -0.873 10.637 -1.536 710 H ILE 87 HN ILE 87 6.989 7.273 -2.466 711 HA ILE 87 HA ILE 87 9.152 7.538 -0.425 712 HB ILE 87 HB ILE 87 9.439 5.096 -0.441 713 1HG1 ILE 87 HG11 ILE 87 7.072 5.091 -2.336 714 2HG1 ILE 87 HG12 ILE 87 8.735 4.714 -2.782 715 1HG2 ILE 87 HG21 ILE 87 6.515 5.812 -0.063 716 2HG2 ILE 87 HG22 ILE 87 7.782 6.112 1.129 717 3HG2 ILE 87 HG23 ILE 87 7.366 4.458 0.679 718 1HD1 ILE 87 HD11 ILE 87 8.752 2.731 -1.491 719 2HD1 ILE 87 HD12 ILE 87 7.162 2.728 -2.250 720 3HD1 ILE 87 HD13 ILE 87 7.331 3.217 -0.567 721 H THR 88 HN THR 88 10.820 5.575 -1.758 722 HA THR 88 HA THR 88 11.129 6.661 -4.517 723 HB THR 88 HB THR 88 13.658 6.863 -3.774 724 HG1 THR 88 HG1 THR 88 13.874 7.290 -1.604 725 1HG2 THR 88 HG21 THR 88 11.578 8.650 -4.088 726 2HG2 THR 88 HG22 THR 88 13.266 9.097 -3.840 727 3HG2 THR 88 HG23 THR 88 12.160 9.029 -2.467 728 H LYS 89 HN LYS 89 12.542 5.312 -5.845 729 HA LYS 89 HA LYS 89 12.957 2.564 -4.716 730 1HB LYS 89 HB1 LYS 89 11.106 3.030 -6.455 731 2HB LYS 89 HB2 LYS 89 12.420 3.274 -7.605 732 1HG LYS 89 HG2 LYS 89 13.176 0.926 -6.415 733 2HG LYS 89 HG1 LYS 89 11.419 0.776 -6.392 734 1HD LYS 89 HD2 LYS 89 11.254 0.931 -8.736 735 2HD LYS 89 HD1 LYS 89 12.855 1.655 -8.892 736 1HE LYS 89 HE2 LYS 89 13.461 -0.747 -7.696 737 2HE LYS 89 HE1 LYS 89 12.099 -1.194 -8.742 738 1HZ LYS 89 HZ1 LYS 89 14.386 -1.147 -9.819 739 2HZ LYS 89 HZ2 LYS 89 14.314 0.544 -9.676 740 3HZ LYS 89 HZ3 LYS 89 13.160 -0.279 -10.612 741 H ALA 90 HN ALA 90 14.708 5.187 -5.403 742 HA ALA 90 HA ALA 90 16.914 5.566 -6.153 743 1HB ALA 90 HB1 ALA 90 17.755 4.176 -4.526 744 2HB ALA 90 HB2 ALA 90 18.144 3.140 -5.899 745 3HB ALA 90 HB3 ALA 90 16.675 2.852 -4.967 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 18.258 -13.548 5.723 2 2H GLY 1 HT2 GLY 1 16.861 -14.424 5.318 3 3H GLY 1 HT3 GLY 1 17.781 -14.871 6.674 4 1HA GLY 1 HA1 GLY 1 15.857 -13.734 7.456 5 2HA GLY 1 HA2 GLY 1 17.260 -12.692 7.694 6 H SER 2 HN SER 2 16.498 -10.641 7.337 7 HA SER 2 HA SER 2 15.696 -9.872 4.644 8 1HB SER 2 HB1 SER 2 13.736 -10.567 6.731 9 2HB SER 2 HB2 SER 2 13.459 -8.977 6.020 10 HG SER 2 HG SER 2 12.664 -11.139 4.994 11 H ASN 3 HN ASN 3 17.477 -8.380 5.040 12 HA ASN 3 HA ASN 3 16.730 -6.111 6.858 13 1HB ASN 3 HB2 ASN 3 19.286 -7.645 6.422 14 2HB ASN 3 HB1 ASN 3 19.372 -5.960 6.935 15 1HD2 ASN 3 HD22 ASN 3 19.611 -8.880 8.289 16 2HD2 ASN 3 HD21 ASN 3 18.814 -8.629 9.766 17 H SER 4 HN SER 4 19.068 -6.877 4.245 18 HA SER 4 HA SER 4 18.774 -4.136 3.173 19 1HB SER 4 HB1 SER 4 20.578 -5.117 1.601 20 2HB SER 4 HB2 SER 4 20.999 -5.006 3.310 21 HG SER 4 HG SER 4 19.919 -7.304 2.050 22 H GLY 5 HN GLY 5 18.568 -4.002 0.693 23 1HA GLY 5 HA2 GLY 5 16.692 -6.096 -0.323 24 2HA GLY 5 HA1 GLY 5 16.351 -4.380 -0.549 25 H ARG 6 HN ARG 6 16.411 -4.753 -2.881 26 HA ARG 6 HA ARG 6 19.219 -4.892 -3.924 27 1HB ARG 6 HB2 ARG 6 17.081 -6.737 -4.243 28 2HB ARG 6 HB1 ARG 6 17.252 -5.905 -5.788 29 1HG ARG 6 HG1 ARG 6 19.641 -6.443 -5.846 30 2HG ARG 6 HG2 ARG 6 19.528 -7.204 -4.259 31 1HD ARG 6 HD2 ARG 6 17.600 -8.218 -6.276 32 2HD ARG 6 HD1 ARG 6 19.304 -8.599 -6.587 33 HE ARG 6 HE ARG 6 17.706 -9.631 -4.381 34 1HH1 ARG 6 HH22 ARG 6 20.900 -8.671 -5.382 35 2HH1 ARG 6 HH21 ARG 6 21.686 -9.689 -4.226 36 1HH2 ARG 6 HH12 ARG 6 18.751 -10.943 -2.891 37 2HH2 ARG 6 HH11 ARG 6 20.481 -10.966 -2.825 38 H ARG 7 HN ARG 7 18.513 -4.465 -6.624 39 HA ARG 7 HA ARG 7 18.100 -2.675 -8.107 40 1HB ARG 7 HB2 ARG 7 15.853 -2.285 -6.094 41 2HB ARG 7 HB1 ARG 7 15.873 -1.652 -7.740 42 1HG ARG 7 HG1 ARG 7 16.290 -4.169 -8.392 43 2HG ARG 7 HG2 ARG 7 15.594 -4.493 -6.804 44 1HD ARG 7 HD1 ARG 7 13.498 -3.704 -7.417 45 2HD ARG 7 HD2 ARG 7 14.163 -2.565 -8.604 46 HE ARG 7 HE ARG 7 14.798 -5.257 -9.382 47 1HH1 ARG 7 HH22 ARG 7 12.138 -3.021 -9.177 48 2HH1 ARG 7 HH21 ARG 7 11.274 -3.758 -10.481 49 1HH2 ARG 7 HH12 ARG 7 13.657 -6.196 -11.072 50 2HH2 ARG 7 HH11 ARG 7 12.125 -5.542 -11.547 51 H SER 8 HN SER 8 17.301 -0.103 -7.812 52 HA SER 8 HA SER 8 18.637 1.131 -5.484 53 1HB SER 8 HB1 SER 8 20.326 2.228 -6.850 54 2HB SER 8 HB2 SER 8 20.392 0.501 -7.201 55 HG SER 8 HG SER 8 20.377 1.831 -9.089 56 H ALA 9 HN ALA 9 16.615 2.180 -5.099 57 HA ALA 9 HA ALA 9 15.735 4.114 -7.219 58 1HB ALA 9 HB1 ALA 9 14.405 2.206 -5.424 59 2HB ALA 9 HB2 ALA 9 13.793 2.962 -6.895 60 3HB ALA 9 HB3 ALA 9 13.686 3.815 -5.355 61 HA PRO 10 HA PRO 10 16.339 7.587 -4.596 62 1HB PRO 10 HB1 PRO 10 13.771 8.638 -4.251 63 2HB PRO 10 HB2 PRO 10 14.812 8.939 -5.652 64 1HG PRO 10 HG1 PRO 10 12.562 7.024 -5.348 65 2HG PRO 10 HG2 PRO 10 13.035 8.001 -6.747 66 1HD PRO 10 HD1 PRO 10 13.567 5.373 -6.593 67 2HD PRO 10 HD2 PRO 10 14.669 6.505 -7.398 68 HA PRO 11 HA PRO 11 15.231 5.434 -0.767 69 1HB PRO 11 HB2 PRO 11 17.517 6.838 0.413 70 2HB PRO 11 HB1 PRO 11 17.300 5.099 0.151 71 1HG PRO 11 HG1 PRO 11 19.079 6.629 -1.226 72 2HG PRO 11 HG2 PRO 11 18.351 5.147 -1.863 73 1HD PRO 11 HD1 PRO 11 17.689 7.992 -2.460 74 2HD PRO 11 HD2 PRO 11 17.689 6.579 -3.536 75 H LEU 12 HN LEU 12 13.344 6.751 -0.371 76 HA LEU 12 HA LEU 12 13.684 9.474 0.700 77 1HB LEU 12 HB2 LEU 12 11.503 7.662 -0.195 78 2HB LEU 12 HB1 LEU 12 11.064 8.866 1.016 79 HG LEU 12 HG LEU 12 12.636 10.281 -0.803 80 1HD1 LEU 12 HD21 LEU 12 11.134 9.697 -2.909 81 2HD1 LEU 12 HD22 LEU 12 11.052 8.116 -2.133 82 3HD1 LEU 12 HD23 LEU 12 12.616 8.797 -2.585 83 1HD2 LEU 12 HD11 LEU 12 10.324 11.167 -1.525 84 2HD2 LEU 12 HD12 LEU 12 10.727 11.283 0.188 85 3HD2 LEU 12 HD13 LEU 12 9.658 10.001 -0.382 86 H ASN 13 HN ASN 13 11.487 7.081 2.053 87 HA ASN 13 HA ASN 13 12.843 7.423 4.702 88 1HB ASN 13 HB1 ASN 13 10.113 7.765 3.731 89 2HB ASN 13 HB2 ASN 13 10.174 6.639 5.087 90 1HD2 ASN 13 HD22 ASN 13 9.914 7.714 7.045 91 2HD2 ASN 13 HD21 ASN 13 10.486 9.275 7.389 92 H LEU 14 HN LEU 14 11.639 5.188 2.341 93 HA LEU 14 HA LEU 14 11.251 2.858 3.938 94 1HB LEU 14 HB1 LEU 14 11.456 3.659 1.165 95 2HB LEU 14 HB2 LEU 14 12.346 2.157 1.408 96 HG LEU 14 HG LEU 14 10.362 1.158 2.490 97 1HD1 LEU 14 HD11 LEU 14 9.083 2.805 3.471 98 2HD1 LEU 14 HD12 LEU 14 8.201 2.653 1.952 99 3HD1 LEU 14 HD13 LEU 14 9.373 3.954 2.165 100 1HD2 LEU 14 HD21 LEU 14 10.781 1.345 -0.118 101 2HD2 LEU 14 HD22 LEU 14 9.330 2.346 -0.063 102 3HD2 LEU 14 HD23 LEU 14 9.270 0.674 0.495 103 H THR 15 HN THR 15 14.167 4.086 2.271 104 HA THR 15 HA THR 15 15.929 1.954 2.852 105 HB THR 15 HB THR 15 16.349 3.875 1.333 106 HG1 THR 15 HG1 THR 15 18.489 4.106 1.878 107 1HG2 THR 15 HG21 THR 15 16.387 6.051 2.034 108 2HG2 THR 15 HG22 THR 15 17.148 5.647 3.573 109 3HG2 THR 15 HG23 THR 15 15.411 5.423 3.362 110 H GLY 16 HN GLY 16 16.714 1.212 4.782 111 1HA GLY 16 HA2 GLY 16 17.838 1.579 6.902 112 2HA GLY 16 HA1 GLY 16 17.028 3.140 7.024 113 H LEU 17 HN LEU 17 14.481 1.578 6.084 114 HA LEU 17 HA LEU 17 13.747 0.726 8.853 115 1HB LEU 17 HB1 LEU 17 11.975 1.354 6.470 116 2HB LEU 17 HB2 LEU 17 11.479 1.243 8.154 117 HG LEU 17 HG LEU 17 13.340 3.324 6.967 118 1HD1 LEU 17 HD21 LEU 17 10.586 3.580 8.216 119 2HD1 LEU 17 HD22 LEU 17 10.906 3.604 6.482 120 3HD1 LEU 17 HD23 LEU 17 11.541 4.886 7.513 121 1HD2 LEU 17 HD11 LEU 17 12.376 2.903 9.814 122 2HD2 LEU 17 HD12 LEU 17 13.270 4.315 9.250 123 3HD2 LEU 17 HD13 LEU 17 14.034 2.726 9.241 124 HA PRO 18 HA PRO 18 12.947 -3.347 7.331 125 1HB PRO 18 HB2 PRO 18 11.122 -4.209 9.142 126 2HB PRO 18 HB1 PRO 18 12.761 -3.749 9.640 127 1HG PRO 18 HG2 PRO 18 10.202 -2.311 9.991 128 2HG PRO 18 HG1 PRO 18 11.668 -2.260 10.977 129 1HD PRO 18 HD1 PRO 18 10.831 -0.395 8.987 130 2HD PRO 18 HD2 PRO 18 12.350 -0.387 9.903 131 H GLY 19 HN GLY 19 11.236 -4.844 6.459 132 1HA GLY 19 HA1 GLY 19 9.073 -5.290 5.542 133 2HA GLY 19 HA2 GLY 19 8.604 -3.629 5.898 134 H THR 20 HN THR 20 10.720 -2.259 4.622 135 HA THR 20 HA THR 20 9.889 -1.828 2.027 136 HB THR 20 HB THR 20 12.760 -1.898 3.019 137 HG1 THR 20 HG1 THR 20 12.319 0.184 3.746 138 1HG2 THR 20 HG21 THR 20 11.807 0.254 1.234 139 2HG2 THR 20 HG22 THR 20 11.858 -1.347 0.497 140 3HG2 THR 20 HG23 THR 20 13.320 -0.651 1.197 141 H GLU 21 HN GLU 21 11.863 -4.501 3.164 142 HA GLU 21 HA GLU 21 12.720 -5.400 0.533 143 1HB GLU 21 HB2 GLU 21 13.619 -5.800 2.989 144 2HB GLU 21 HB1 GLU 21 12.441 -7.111 3.007 145 1HG GLU 21 HG2 GLU 21 14.711 -6.759 1.026 146 2HG GLU 21 HG1 GLU 21 14.591 -7.987 2.285 147 H LYS 22 HN LYS 22 10.292 -6.568 2.887 148 HA LYS 22 HA LYS 22 9.243 -8.689 1.332 149 1HB LYS 22 HB2 LYS 22 7.841 -6.845 3.303 150 2HB LYS 22 HB1 LYS 22 7.351 -8.489 2.893 151 1HG LYS 22 HG2 LYS 22 10.157 -8.377 3.689 152 2HG LYS 22 HG1 LYS 22 9.096 -7.748 4.953 153 1HD LYS 22 HD1 LYS 22 7.710 -9.969 4.126 154 2HD LYS 22 HD2 LYS 22 9.380 -10.502 3.936 155 1HE LYS 22 HE1 LYS 22 9.237 -10.972 6.177 156 2HE LYS 22 HE2 LYS 22 9.464 -9.224 6.384 157 1HZ LYS 22 HZ1 LYS 22 7.033 -8.974 6.125 158 2HZ LYS 22 HZ2 LYS 22 7.446 -9.890 7.494 159 3HZ LYS 22 HZ3 LYS 22 6.875 -10.664 6.095 160 H LEU 23 HN LEU 23 8.864 -5.247 0.970 161 HA LEU 23 HA LEU 23 6.348 -5.231 -0.442 162 1HB LEU 23 HB1 LEU 23 8.782 -3.409 -0.595 163 2HB LEU 23 HB2 LEU 23 7.163 -2.994 -1.160 164 HG LEU 23 HG LEU 23 7.929 -3.669 1.694 165 1HD1 LEU 23 HD21 LEU 23 6.771 -1.055 0.812 166 2HD1 LEU 23 HD22 LEU 23 8.484 -1.354 0.520 167 3HD1 LEU 23 HD23 LEU 23 7.849 -1.401 2.165 168 1HD2 LEU 23 HD11 LEU 23 5.725 -4.395 1.561 169 2HD2 LEU 23 HD12 LEU 23 5.312 -3.234 0.299 170 3HD2 LEU 23 HD13 LEU 23 5.491 -2.696 1.969 171 H ASN 24 HN ASN 24 6.020 -6.310 -2.349 172 HA ASN 24 HA ASN 24 7.890 -7.583 -3.965 173 1HB ASN 24 HB2 ASN 24 5.339 -7.615 -4.007 174 2HB ASN 24 HB1 ASN 24 5.417 -6.152 -4.984 175 1HD2 ASN 24 HD21 ASN 24 4.269 -7.943 -6.482 176 2HD2 ASN 24 HD22 ASN 24 5.323 -8.784 -7.514 177 H GLU 25 HN GLU 25 8.389 -6.952 -6.323 178 HA GLU 25 HA GLU 25 10.107 -4.696 -6.411 179 1HB GLU 25 HB2 GLU 25 10.022 -5.157 -8.882 180 2HB GLU 25 HB1 GLU 25 10.239 -6.622 -7.925 181 1HG GLU 25 HG1 GLU 25 8.011 -7.308 -8.246 182 2HG GLU 25 HG2 GLU 25 7.481 -5.686 -8.690 183 H LYS 26 HN LYS 26 6.660 -4.945 -6.888 184 HA LYS 26 HA LYS 26 6.445 -2.330 -8.236 185 1HB LYS 26 HB1 LYS 26 4.693 -4.614 -7.420 186 2HB LYS 26 HB2 LYS 26 3.919 -3.044 -7.632 187 1HG LYS 26 HG2 LYS 26 4.938 -2.879 -9.897 188 2HG LYS 26 HG1 LYS 26 5.626 -4.488 -9.682 189 1HD LYS 26 HD2 LYS 26 2.874 -4.690 -9.028 190 2HD LYS 26 HD1 LYS 26 2.969 -3.769 -10.530 191 1HE LYS 26 HE2 LYS 26 4.409 -6.406 -10.069 192 2HE LYS 26 HE1 LYS 26 2.864 -6.248 -10.925 193 1HZ LYS 26 HZ1 LYS 26 4.047 -4.457 -12.267 194 2HZ LYS 26 HZ2 LYS 26 4.488 -6.065 -12.591 195 3HZ LYS 26 HZ3 LYS 26 5.495 -5.083 -11.638 196 H GLU 27 HN GLU 27 5.394 -3.750 -5.114 197 HA GLU 27 HA GLU 27 4.387 -1.356 -3.947 198 1HB GLU 27 HB2 GLU 27 5.772 -3.762 -2.698 199 2HB GLU 27 HB1 GLU 27 4.720 -2.635 -1.842 200 1HG GLU 27 HG2 GLU 27 2.981 -3.247 -3.699 201 2HG GLU 27 HG1 GLU 27 4.003 -4.662 -3.948 202 H LYS 28 HN LYS 28 7.667 -2.683 -4.135 203 HA LYS 28 HA LYS 28 9.052 -1.069 -2.301 204 1HB LYS 28 HB2 LYS 28 9.550 -2.722 -4.613 205 2HB LYS 28 HB1 LYS 28 10.570 -1.287 -4.704 206 1HG LYS 28 HG1 LYS 28 11.796 -1.882 -2.865 207 2HG LYS 28 HG2 LYS 28 10.408 -2.589 -2.038 208 1HD LYS 28 HD2 LYS 28 10.628 -4.340 -4.072 209 2HD LYS 28 HD1 LYS 28 12.315 -3.840 -3.953 210 1HE LYS 28 HE2 LYS 28 12.518 -4.632 -1.740 211 2HE LYS 28 HE1 LYS 28 10.764 -4.610 -1.477 212 1HZ LYS 28 HZ1 LYS 28 12.101 -6.307 -3.518 213 2HZ LYS 28 HZ2 LYS 28 10.480 -6.383 -3.016 214 3HZ LYS 28 HZ3 LYS 28 11.720 -6.863 -1.959 215 H GLU 29 HN GLU 29 8.537 -0.359 -5.782 216 HA GLU 29 HA GLU 29 9.540 2.349 -5.592 217 1HB GLU 29 HB1 GLU 29 9.542 0.959 -7.640 218 2HB GLU 29 HB2 GLU 29 7.779 0.936 -7.630 219 1HG GLU 29 HG1 GLU 29 7.867 3.479 -7.723 220 2HG GLU 29 HG2 GLU 29 9.594 3.323 -8.043 221 H LEU 30 HN LEU 30 6.299 0.894 -5.475 222 HA LEU 30 HA LEU 30 4.657 3.153 -5.733 223 1HB LEU 30 HB2 LEU 30 3.846 0.857 -5.519 224 2HB LEU 30 HB1 LEU 30 4.489 0.746 -3.881 225 HG LEU 30 HG LEU 30 2.872 3.037 -3.854 226 1HD1 LEU 30 HD11 LEU 30 0.893 2.583 -4.970 227 2HD1 LEU 30 HD12 LEU 30 1.162 0.839 -4.951 228 3HD1 LEU 30 HD13 LEU 30 2.049 1.857 -6.088 229 1HD2 LEU 30 HD21 LEU 30 1.982 0.274 -3.013 230 2HD2 LEU 30 HD22 LEU 30 1.612 1.818 -2.245 231 3HD2 LEU 30 HD23 LEU 30 3.242 1.152 -2.146 232 H CYS 31 HN CYS 31 6.555 2.095 -2.919 233 HA CYS 31 HA CYS 31 5.477 4.245 -1.211 234 1HB CYS 31 HB1 CYS 31 7.621 2.109 -0.969 235 2HB CYS 31 HB2 CYS 31 7.304 3.272 0.318 236 HG CYS 31 HG CYS 31 4.689 2.277 0.013 237 H GLN 32 HN GLN 32 8.490 3.509 -2.967 238 HA GLN 32 HA GLN 32 10.086 5.677 -2.071 239 1HB GLN 32 HB2 GLN 32 9.842 4.194 -4.709 240 2HB GLN 32 HB1 GLN 32 11.147 5.332 -4.373 241 1HG GLN 32 HG2 GLN 32 11.964 4.000 -2.561 242 2HG GLN 32 HG1 GLN 32 10.514 2.997 -2.554 243 1HE2 GLN 32 HE21 GLN 32 12.744 1.507 -2.780 244 2HE2 GLN 32 HE22 GLN 32 13.028 1.007 -4.378 245 H VAL 33 HN VAL 33 7.289 5.633 -4.133 246 HA VAL 33 HA VAL 33 7.815 8.323 -5.256 247 HB VAL 33 HB VAL 33 5.535 6.319 -5.459 248 1HG1 VAL 33 HG11 VAL 33 6.016 8.933 -6.920 249 2HG1 VAL 33 HG12 VAL 33 4.676 8.564 -5.834 250 3HG1 VAL 33 HG13 VAL 33 4.804 7.740 -7.388 251 1HG2 VAL 33 HG21 VAL 33 8.018 6.107 -6.533 252 2HG2 VAL 33 HG22 VAL 33 7.218 7.046 -7.793 253 3HG2 VAL 33 HG23 VAL 33 6.570 5.476 -7.317 254 H VAL 34 HN VAL 34 5.195 6.727 -3.409 255 HA VAL 34 HA VAL 34 4.372 9.350 -2.303 256 HB VAL 34 HB VAL 34 2.717 7.716 -3.157 257 1HG1 VAL 34 HG11 VAL 34 2.846 5.827 -0.974 258 2HG1 VAL 34 HG12 VAL 34 4.368 5.844 -1.867 259 3HG1 VAL 34 HG13 VAL 34 2.851 5.521 -2.710 260 1HG2 VAL 34 HG21 VAL 34 2.690 8.182 -0.166 261 2HG2 VAL 34 HG22 VAL 34 1.301 7.577 -1.070 262 3HG2 VAL 34 HG23 VAL 34 1.942 9.186 -1.408 263 H ARG 35 HN ARG 35 6.393 9.604 -1.098 264 HA ARG 35 HA ARG 35 7.826 8.177 0.648 265 1HB ARG 35 HB2 ARG 35 7.543 10.750 0.232 266 2HB ARG 35 HB1 ARG 35 6.529 10.697 1.674 267 1HG ARG 35 HG1 ARG 35 8.322 9.914 3.030 268 2HG ARG 35 HG2 ARG 35 9.310 9.516 1.623 269 1HD ARG 35 HD1 ARG 35 10.221 11.577 2.367 270 2HD ARG 35 HD2 ARG 35 9.110 12.076 1.077 271 HE ARG 35 HE ARG 35 7.716 13.027 2.736 272 1HH1 ARG 35 HH11 ARG 35 9.929 10.741 4.148 273 2HH1 ARG 35 HH12 ARG 35 9.445 11.106 5.768 274 1HH2 ARG 35 HH21 ARG 35 7.105 13.484 4.849 275 2HH2 ARG 35 HH22 ARG 35 7.860 12.647 6.164 276 H LEU 36 HN LEU 36 6.703 6.341 1.514 277 HA LEU 36 HA LEU 36 5.064 6.960 3.942 278 1HB LEU 36 HB1 LEU 36 4.040 6.031 1.566 279 2HB LEU 36 HB2 LEU 36 4.350 4.529 2.426 280 HG LEU 36 HG LEU 36 3.190 6.455 4.230 281 1HD1 LEU 36 HD21 LEU 36 2.230 7.479 2.209 282 2HD1 LEU 36 HD22 LEU 36 0.974 6.663 3.140 283 3HD1 LEU 36 HD23 LEU 36 1.626 5.906 1.687 284 1HD2 LEU 36 HD11 LEU 36 1.617 4.145 3.241 285 2HD2 LEU 36 HD12 LEU 36 2.029 4.607 4.893 286 3HD2 LEU 36 HD13 LEU 36 3.213 3.768 3.893 287 H VAL 37 HN VAL 37 5.185 5.264 5.564 288 HA VAL 37 HA VAL 37 7.779 3.974 5.731 289 HB VAL 37 HB VAL 37 5.208 3.971 7.337 290 1HG1 VAL 37 HG11 VAL 37 6.613 1.823 7.583 291 2HG1 VAL 37 HG12 VAL 37 6.231 2.707 9.057 292 3HG1 VAL 37 HG13 VAL 37 7.830 2.857 8.327 293 1HG2 VAL 37 HG21 VAL 37 6.360 5.462 8.793 294 2HG2 VAL 37 HG22 VAL 37 6.716 6.026 7.160 295 3HG2 VAL 37 HG23 VAL 37 7.918 5.094 8.052 296 HA PRO 38 HA PRO 38 6.709 0.158 3.823 297 1HB PRO 38 HB1 PRO 38 8.366 -1.383 5.659 298 2HB PRO 38 HB2 PRO 38 8.684 -0.971 3.968 299 1HG PRO 38 HG2 PRO 38 10.062 0.045 6.111 300 2HG PRO 38 HG1 PRO 38 9.953 0.815 4.523 301 1HD PRO 38 HD1 PRO 38 8.559 1.490 7.051 302 2HD PRO 38 HD2 PRO 38 9.063 2.545 5.716 303 H GLY 39 HN GLY 39 7.260 -0.691 7.265 304 1HA GLY 39 HA1 GLY 39 5.271 -2.665 7.452 305 2HA GLY 39 HA2 GLY 39 5.821 -1.706 8.825 306 H ALA 40 HN ALA 40 4.952 0.839 7.620 307 HA ALA 40 HA ALA 40 2.296 1.002 8.651 308 1HB ALA 40 HB1 ALA 40 3.802 2.706 6.633 309 2HB ALA 40 HB2 ALA 40 3.835 2.906 8.385 310 3HB ALA 40 HB3 ALA 40 2.347 3.216 7.490 311 H TYR 41 HN TYR 41 3.288 1.355 5.228 312 HA TYR 41 HA TYR 41 0.747 1.014 4.044 313 1HB TYR 41 HB2 TYR 41 2.714 1.789 2.838 314 2HB TYR 41 HB1 TYR 41 3.564 0.280 3.164 315 HD1 TYR 41 HD1 TYR 41 1.215 1.991 0.997 316 HD2 TYR 41 HD2 TYR 41 2.715 -1.867 2.141 317 HE1 TYR 41 HE1 TYR 41 0.272 1.009 -1.078 318 HE2 TYR 41 HE2 TYR 41 1.774 -2.849 0.068 319 HH TYR 41 HH TYR 41 0.993 -2.272 -2.047 320 H LEU 42 HN LEU 42 3.235 -1.443 4.787 321 HA LEU 42 HA LEU 42 1.932 -3.757 3.838 322 1HB LEU 42 HB1 LEU 42 4.256 -3.541 4.741 323 2HB LEU 42 HB2 LEU 42 3.584 -3.344 6.358 324 HG LEU 42 HG LEU 42 2.340 -5.635 5.607 325 1HD1 LEU 42 HD11 LEU 42 3.734 -5.501 3.446 326 2HD1 LEU 42 HD12 LEU 42 3.774 -7.031 4.323 327 3HD1 LEU 42 HD13 LEU 42 5.122 -5.902 4.457 328 1HD2 LEU 42 HD21 LEU 42 4.299 -4.837 7.429 329 2HD2 LEU 42 HD22 LEU 42 5.029 -6.207 6.591 330 3HD2 LEU 42 HD23 LEU 42 3.477 -6.397 7.408 331 H GLU 43 HN GLU 43 1.356 -1.846 6.742 332 HA GLU 43 HA GLU 43 -0.331 -3.799 8.076 333 1HB GLU 43 HB1 GLU 43 0.989 -1.500 8.740 334 2HB GLU 43 HB2 GLU 43 -0.659 -0.892 8.596 335 1HG GLU 43 HG2 GLU 43 -0.551 -1.579 10.842 336 2HG GLU 43 HG1 GLU 43 -1.296 -2.965 10.045 337 H TYR 44 HN TYR 44 -1.196 -0.611 6.668 338 HA TYR 44 HA TYR 44 -3.988 -1.013 6.615 339 1HB TYR 44 HB2 TYR 44 -2.281 0.532 4.623 340 2HB TYR 44 HB1 TYR 44 -3.972 0.833 5.011 341 HD1 TYR 44 HD1 TYR 44 -0.557 1.520 5.923 342 HD2 TYR 44 HD2 TYR 44 -4.572 1.402 7.447 343 HE1 TYR 44 HE1 TYR 44 0.123 2.955 7.828 344 HE2 TYR 44 HE2 TYR 44 -3.892 2.837 9.350 345 HH TYR 44 HH TYR 44 -0.944 3.250 10.376 346 H LYS 45 HN LYS 45 -1.532 -1.901 4.177 347 HA LYS 45 HA LYS 45 -3.320 -2.864 2.163 348 1HB LYS 45 HB2 LYS 45 -0.683 -2.497 2.343 349 2HB LYS 45 HB1 LYS 45 -0.704 -4.209 2.765 350 1HG LYS 45 HG1 LYS 45 -2.316 -3.358 0.397 351 2HG LYS 45 HG2 LYS 45 -0.562 -3.389 0.219 352 1HD LYS 45 HD1 LYS 45 -0.505 -5.652 0.210 353 2HD LYS 45 HD2 LYS 45 -1.585 -5.756 1.600 354 1HE LYS 45 HE2 LYS 45 -3.540 -5.489 0.175 355 2HE LYS 45 HE1 LYS 45 -2.512 -5.179 -1.237 356 1HZ LYS 45 HZ1 LYS 45 -3.001 -7.469 -1.314 357 2HZ LYS 45 HZ2 LYS 45 -2.744 -7.673 0.352 358 3HZ LYS 45 HZ3 LYS 45 -1.427 -7.383 -0.681 359 H SER 46 HN SER 46 -1.818 -4.488 4.972 360 HA SER 46 HA SER 46 -2.910 -7.096 4.512 361 1HB SER 46 HB2 SER 46 -1.456 -5.625 6.500 362 2HB SER 46 HB1 SER 46 -2.757 -6.501 7.303 363 HG SER 46 HG SER 46 -2.007 -8.394 6.435 364 H ALA 47 HN ALA 47 -4.317 -4.108 5.614 365 HA ALA 47 HA ALA 47 -6.713 -5.420 6.765 366 1HB ALA 47 HB1 ALA 47 -6.749 -3.453 7.899 367 2HB ALA 47 HB2 ALA 47 -6.883 -2.559 6.385 368 3HB ALA 47 HB3 ALA 47 -5.293 -2.965 7.031 369 H LEU 48 HN LEU 48 -5.558 -4.012 3.807 370 HA LEU 48 HA LEU 48 -8.071 -3.332 2.586 371 1HB LEU 48 HB2 LEU 48 -5.220 -3.759 1.887 372 2HB LEU 48 HB1 LEU 48 -6.345 -4.011 0.558 373 HG LEU 48 HG LEU 48 -5.561 -1.670 0.680 374 1HD1 LEU 48 HD11 LEU 48 -8.390 -1.446 1.537 375 2HD1 LEU 48 HD12 LEU 48 -8.071 -2.573 0.218 376 3HD1 LEU 48 HD13 LEU 48 -7.616 -0.877 0.057 377 1HD2 LEU 48 HD21 LEU 48 -6.720 -0.365 2.657 378 2HD2 LEU 48 HD22 LEU 48 -5.149 -1.125 2.893 379 3HD2 LEU 48 HD23 LEU 48 -6.610 -1.919 3.474 380 H LEU 49 HN LEU 49 -6.098 -6.278 2.718 381 HA LEU 49 HA LEU 49 -7.926 -7.803 1.001 382 1HB LEU 49 HB2 LEU 49 -5.269 -7.952 2.042 383 2HB LEU 49 HB1 LEU 49 -6.119 -9.403 2.574 384 HG LEU 49 HG LEU 49 -5.067 -9.772 0.378 385 1HD1 LEU 49 HD21 LEU 49 -7.491 -10.580 1.074 386 2HD1 LEU 49 HD22 LEU 49 -6.896 -10.855 -0.563 387 3HD1 LEU 49 HD23 LEU 49 -7.990 -9.511 -0.236 388 1HD2 LEU 49 HD11 LEU 49 -6.813 -8.120 -1.217 389 2HD2 LEU 49 HD12 LEU 49 -5.050 -8.159 -1.192 390 3HD2 LEU 49 HD13 LEU 49 -5.924 -7.112 -0.074 391 H ASN 50 HN ASN 50 -7.098 -7.721 4.487 392 HA ASN 50 HA ASN 50 -8.894 -9.817 5.277 393 1HB ASN 50 HB1 ASN 50 -6.909 -8.372 6.418 394 2HB ASN 50 HB2 ASN 50 -8.300 -7.532 7.103 395 1HD2 ASN 50 HD22 ASN 50 -8.712 -8.390 9.145 396 2HD2 ASN 50 HD21 ASN 50 -8.671 -10.042 9.534 397 H GLU 51 HN GLU 51 -9.295 -6.278 5.082 398 HA GLU 51 HA GLU 51 -11.975 -6.273 6.192 399 1HB GLU 51 HB1 GLU 51 -10.366 -4.367 6.205 400 2HB GLU 51 HB2 GLU 51 -10.485 -4.275 4.448 401 1HG GLU 51 HG1 GLU 51 -11.969 -2.620 5.543 402 2HG GLU 51 HG2 GLU 51 -12.895 -3.806 4.624 403 H CYS 52 HN CYS 52 -10.798 -5.667 2.847 404 HA CYS 52 HA CYS 52 -13.311 -5.589 1.573 405 1HB CYS 52 HB1 CYS 52 -11.064 -5.021 0.618 406 2HB CYS 52 HB2 CYS 52 -10.691 -6.742 0.548 407 HG CYS 52 HG CYS 52 -11.730 -5.844 -1.768 408 H HIS 53 HN HIS 53 -11.193 -8.425 2.126 409 HA HIS 53 HA HIS 53 -12.864 -10.360 0.863 410 1HB HIS 53 HB1 HIS 53 -10.439 -10.506 1.675 411 2HB HIS 53 HB2 HIS 53 -11.096 -10.764 3.290 412 HD1 HIS 53 HD1 HIS 53 -9.978 -12.627 0.468 413 HD2 HIS 53 HD2 HIS 53 -13.156 -13.055 3.132 414 HE1 HIS 53 HE1 HIS 53 -10.735 -15.038 0.298 415 H LYS 54 HN LYS 54 -12.787 -9.166 4.228 416 HA LYS 54 HA LYS 54 -14.598 -10.958 5.417 417 1HB LYS 54 HB1 LYS 54 -13.203 -9.167 6.484 418 2HB LYS 54 HB2 LYS 54 -14.304 -7.960 5.821 419 1HG LYS 54 HG2 LYS 54 -15.022 -8.356 8.056 420 2HG LYS 54 HG1 LYS 54 -16.178 -9.195 7.025 421 1HD LYS 54 HD2 LYS 54 -15.654 -10.797 8.673 422 2HD LYS 54 HD1 LYS 54 -14.613 -11.250 7.328 423 1HE LYS 54 HE2 LYS 54 -12.757 -9.950 8.365 424 2HE LYS 54 HE1 LYS 54 -13.807 -9.604 9.752 425 1HZ LYS 54 HZ1 LYS 54 -12.635 -11.570 10.298 426 2HZ LYS 54 HZ2 LYS 54 -12.891 -12.251 8.764 427 3HZ LYS 54 HZ3 LYS 54 -14.189 -12.082 9.846 428 H GLN 55 HN GLN 55 -15.319 -7.848 3.784 429 HA GLN 55 HA GLN 55 -18.219 -8.390 3.918 430 1HB GLN 55 HB1 GLN 55 -16.441 -6.156 2.896 431 2HB GLN 55 HB2 GLN 55 -18.193 -6.123 2.696 432 1HG GLN 55 HG1 GLN 55 -18.013 -6.746 5.338 433 2HG GLN 55 HG2 GLN 55 -16.562 -5.764 5.144 434 1HE2 GLN 55 HE21 GLN 55 -17.934 -4.242 6.609 435 2HE2 GLN 55 HE22 GLN 55 -18.989 -3.169 5.824 436 H GLY 56 HN GLY 56 -16.120 -7.355 1.204 437 1HA GLY 56 HA1 GLY 56 -16.247 -9.396 -0.578 438 2HA GLY 56 HA2 GLY 56 -17.889 -8.762 -0.682 439 H GLY 57 HN GLY 57 -16.885 -5.988 -0.103 440 1HA GLY 57 HA2 GLY 57 -15.168 -5.372 -2.412 441 2HA GLY 57 HA1 GLY 57 -16.829 -4.795 -2.539 442 H LEU 58 HN LEU 58 -14.160 -3.365 -2.167 443 HA LEU 58 HA LEU 58 -14.989 -1.740 0.215 444 1HB LEU 58 HB1 LEU 58 -12.539 -3.188 -0.425 445 2HB LEU 58 HB2 LEU 58 -12.209 -1.477 -0.156 446 HG LEU 58 HG LEU 58 -13.751 -3.296 1.721 447 1HD1 LEU 58 HD21 LEU 58 -11.374 -2.040 2.792 448 2HD1 LEU 58 HD22 LEU 58 -10.974 -2.975 1.351 449 3HD1 LEU 58 HD23 LEU 58 -11.781 -3.753 2.712 450 1HD2 LEU 58 HD11 LEU 58 -14.415 -1.445 2.830 451 2HD2 LEU 58 HD12 LEU 58 -13.919 -0.528 1.407 452 3HD2 LEU 58 HD13 LEU 58 -12.800 -0.739 2.754 453 H ARG 59 HN ARG 59 -15.922 -0.010 -0.898 454 HA ARG 59 HA ARG 59 -15.185 1.048 -3.403 455 1HB ARG 59 HB1 ARG 59 -17.194 1.491 -1.842 456 2HB ARG 59 HB2 ARG 59 -16.158 2.667 -1.033 457 1HG ARG 59 HG2 ARG 59 -15.786 3.769 -3.262 458 2HG ARG 59 HG1 ARG 59 -16.978 2.670 -3.953 459 1HD ARG 59 HD1 ARG 59 -17.645 4.371 -1.543 460 2HD ARG 59 HD2 ARG 59 -17.835 4.990 -3.195 461 HE ARG 59 HE ARG 59 -19.021 2.492 -3.297 462 1HH1 ARG 59 HH11 ARG 59 -19.390 5.288 -1.257 463 2HH1 ARG 59 HH12 ARG 59 -21.061 4.974 -0.943 464 1HH2 ARG 59 HH21 ARG 59 -21.189 2.106 -2.875 465 2HH2 ARG 59 HH22 ARG 59 -22.075 3.186 -1.851 466 H LEU 60 HN LEU 60 -14.060 3.138 -3.846 467 HA LEU 60 HA LEU 60 -11.504 3.282 -2.405 468 1HB LEU 60 HB1 LEU 60 -11.821 3.388 -4.909 469 2HB LEU 60 HB2 LEU 60 -12.614 4.947 -4.694 470 HG LEU 60 HG LEU 60 -10.586 5.897 -3.730 471 1HD1 LEU 60 HD11 LEU 60 -9.205 4.490 -2.620 472 2HD1 LEU 60 HD12 LEU 60 -8.588 3.998 -4.201 473 3HD1 LEU 60 HD13 LEU 60 -9.886 3.077 -3.439 474 1HD2 LEU 60 HD21 LEU 60 -9.935 6.303 -5.845 475 2HD2 LEU 60 HD22 LEU 60 -10.806 4.871 -6.392 476 3HD2 LEU 60 HD23 LEU 60 -9.119 4.739 -5.893 477 H ALA 61 HN ALA 61 -14.563 4.887 -2.260 478 HA ALA 61 HA ALA 61 -13.576 7.423 -1.179 479 1HB ALA 61 HB1 ALA 61 -16.212 7.161 -0.432 480 2HB ALA 61 HB2 ALA 61 -16.128 6.043 -1.794 481 3HB ALA 61 HB3 ALA 61 -15.694 7.738 -2.016 482 H GLN 62 HN GLN 62 -15.585 4.843 0.299 483 HA GLN 62 HA GLN 62 -15.135 5.466 3.019 484 1HB GLN 62 HB1 GLN 62 -15.445 2.790 1.599 485 2HB GLN 62 HB2 GLN 62 -15.692 3.039 3.326 486 1HG GLN 62 HG2 GLN 62 -17.201 5.009 1.877 487 2HG GLN 62 HG1 GLN 62 -17.576 3.411 1.230 488 1HE2 GLN 62 HE21 GLN 62 -19.743 3.572 2.276 489 2HE2 GLN 62 HE22 GLN 62 -19.899 3.309 3.946 490 H ALA 63 HN ALA 63 -13.122 3.871 0.650 491 HA ALA 63 HA ALA 63 -11.142 2.681 2.332 492 1HB ALA 63 HB1 ALA 63 -11.260 2.173 -0.004 493 2HB ALA 63 HB2 ALA 63 -9.771 3.095 0.186 494 3HB ALA 63 HB3 ALA 63 -11.213 3.875 -0.447 495 H ARG 64 HN ARG 64 -11.277 5.892 0.776 496 HA ARG 64 HA ARG 64 -8.856 6.967 1.741 497 1HB ARG 64 HB2 ARG 64 -11.506 7.916 0.790 498 2HB ARG 64 HB1 ARG 64 -10.602 9.085 1.749 499 1HG ARG 64 HG1 ARG 64 -10.095 9.313 -0.651 500 2HG ARG 64 HG2 ARG 64 -8.669 8.855 0.276 501 1HD ARG 64 HD1 ARG 64 -8.418 7.134 -1.144 502 2HD ARG 64 HD2 ARG 64 -9.892 6.424 -0.478 503 HE ARG 64 HE ARG 64 -11.064 7.201 -2.381 504 1HH1 ARG 64 HH21 ARG 64 -8.001 8.817 -2.060 505 2HH1 ARG 64 HH22 ARG 64 -8.145 9.631 -3.578 506 1HH2 ARG 64 HH11 ARG 64 -11.231 8.266 -4.350 507 2HH2 ARG 64 HH12 ARG 64 -9.960 9.323 -4.868 508 H ALA 65 HN ALA 65 -12.020 6.659 3.301 509 HA ALA 65 HA ALA 65 -11.060 7.994 5.767 510 1HB ALA 65 HB1 ALA 65 -13.480 7.683 4.430 511 2HB ALA 65 HB2 ALA 65 -13.298 8.296 6.073 512 3HB ALA 65 HB3 ALA 65 -13.637 6.587 5.802 513 H LEU 66 HN LEU 66 -11.209 4.795 4.470 514 HA LEU 66 HA LEU 66 -11.563 3.342 6.945 515 1HB LEU 66 HB2 LEU 66 -12.069 2.392 4.760 516 2HB LEU 66 HB1 LEU 66 -10.411 2.646 4.220 517 HG LEU 66 HG LEU 66 -9.649 1.104 6.057 518 1HD1 LEU 66 HD11 LEU 66 -12.223 -0.193 6.395 519 2HD1 LEU 66 HD12 LEU 66 -12.291 1.481 6.945 520 3HD1 LEU 66 HD13 LEU 66 -11.096 0.377 7.626 521 1HD2 LEU 66 HD21 LEU 66 -10.142 -0.882 4.843 522 2HD2 LEU 66 HD22 LEU 66 -10.187 0.407 3.640 523 3HD2 LEU 66 HD23 LEU 66 -11.691 -0.249 4.285 524 H ILE 67 HN ILE 67 -8.652 2.915 4.961 525 HA ILE 67 HA ILE 67 -7.028 2.742 7.412 526 HB ILE 67 HB ILE 67 -5.281 2.063 5.756 527 1HG1 ILE 67 HG11 ILE 67 -7.397 2.296 3.624 528 2HG1 ILE 67 HG12 ILE 67 -6.312 3.642 3.974 529 1HG2 ILE 67 HG21 ILE 67 -7.605 0.689 6.454 530 2HG2 ILE 67 HG22 ILE 67 -6.149 -0.016 5.749 531 3HG2 ILE 67 HG23 ILE 67 -7.487 0.471 4.707 532 1HD1 ILE 67 HD11 ILE 67 -5.211 0.875 3.519 533 2HD1 ILE 67 HD12 ILE 67 -4.404 2.431 3.325 534 3HD1 ILE 67 HD13 ILE 67 -5.610 1.911 2.148 535 H LYS 68 HN LYS 68 -4.629 3.774 6.726 536 HA LYS 68 HA LYS 68 -3.442 5.825 6.723 537 1HB LYS 68 HB2 LYS 68 -5.558 6.139 4.571 538 2HB LYS 68 HB1 LYS 68 -4.198 7.245 4.748 539 1HG LYS 68 HG2 LYS 68 -3.905 4.248 4.391 540 2HG LYS 68 HG1 LYS 68 -3.779 5.421 3.077 541 1HD LYS 68 HD2 LYS 68 -1.587 5.573 3.615 542 2HD LYS 68 HD1 LYS 68 -2.112 6.465 5.042 543 1HE LYS 68 HE1 LYS 68 -1.847 4.635 6.444 544 2HE LYS 68 HE2 LYS 68 -2.176 3.470 5.147 545 1HZ LYS 68 HZ1 LYS 68 0.201 5.250 5.176 546 2HZ LYS 68 HZ2 LYS 68 -0.083 3.918 4.161 547 3HZ LYS 68 HZ3 LYS 68 0.227 3.676 5.813 548 H ILE 69 HN ILE 69 -4.578 8.461 6.138 549 HA ILE 69 HA ILE 69 -6.654 8.783 8.243 550 HB ILE 69 HB ILE 69 -5.315 10.420 9.423 551 1HG1 ILE 69 HG12 ILE 69 -4.206 11.345 7.353 552 2HG1 ILE 69 HG11 ILE 69 -3.135 11.144 8.734 553 1HG2 ILE 69 HG21 ILE 69 -3.575 9.009 10.297 554 2HG2 ILE 69 HG22 ILE 69 -3.510 8.071 8.805 555 3HG2 ILE 69 HG23 ILE 69 -4.926 7.967 9.851 556 1HD1 ILE 69 HD11 ILE 69 -1.774 10.005 7.339 557 2HD1 ILE 69 HD12 ILE 69 -3.025 9.878 6.104 558 3HD1 ILE 69 HD13 ILE 69 -2.950 8.697 7.408 559 H ASP 70 HN ASP 70 -4.850 10.240 5.539 560 HA ASP 70 HA ASP 70 -6.844 12.442 5.418 561 1HB ASP 70 HB2 ASP 70 -4.467 12.996 5.378 562 2HB ASP 70 HB1 ASP 70 -4.208 11.907 4.019 563 H VAL 71 HN VAL 71 -5.226 11.198 2.539 564 HA VAL 71 HA VAL 71 -7.389 9.583 1.549 565 HB VAL 71 HB VAL 71 -8.635 11.655 1.633 566 1HG1 VAL 71 HG21 VAL 71 -7.826 13.729 1.066 567 2HG1 VAL 71 HG22 VAL 71 -6.806 13.094 -0.223 568 3HG1 VAL 71 HG23 VAL 71 -6.289 12.963 1.455 569 1HG2 VAL 71 HG11 VAL 71 -8.040 10.320 -0.825 570 2HG2 VAL 71 HG12 VAL 71 -8.259 12.035 -1.165 571 3HG2 VAL 71 HG13 VAL 71 -9.534 11.129 -0.352 572 H ASN 72 HN ASN 72 -4.929 11.985 0.516 573 HA ASN 72 HA ASN 72 -4.352 10.807 -2.037 574 1HB ASN 72 HB1 ASN 72 -2.691 12.369 -0.022 575 2HB ASN 72 HB2 ASN 72 -2.163 12.036 -1.672 576 1HD2 ASN 72 HD21 ASN 72 -2.571 13.784 -3.023 577 2HD2 ASN 72 HD22 ASN 72 -3.903 14.829 -2.899 578 H LYS 73 HN LYS 73 -3.397 10.091 1.243 579 HA LYS 73 HA LYS 73 -1.254 8.245 0.695 580 1HB LYS 73 HB2 LYS 73 -3.082 9.031 2.939 581 2HB LYS 73 HB1 LYS 73 -2.206 7.512 3.106 582 1HG LYS 73 HG2 LYS 73 -0.933 9.387 4.090 583 2HG LYS 73 HG1 LYS 73 -0.075 8.685 2.721 584 1HD LYS 73 HD2 LYS 73 0.032 11.090 2.505 585 2HD LYS 73 HD1 LYS 73 -1.068 10.492 1.269 586 1HE LYS 73 HE1 LYS 73 -2.070 12.451 2.359 587 2HE LYS 73 HE2 LYS 73 -2.993 11.016 2.837 588 1HZ LYS 73 HZ1 LYS 73 -0.640 11.956 4.376 589 2HZ LYS 73 HZ2 LYS 73 -1.870 10.897 4.878 590 3HZ LYS 73 HZ3 LYS 73 -2.198 12.553 4.692 591 H THR 74 HN THR 74 -4.692 7.763 1.577 592 HA THR 74 HA THR 74 -4.741 4.925 1.118 593 HB THR 74 HB THR 74 -7.048 6.848 0.717 594 HG1 THR 74 HG1 THR 74 -6.796 7.534 2.661 595 1HG2 THR 74 HG21 THR 74 -7.620 4.663 2.449 596 2HG2 THR 74 HG22 THR 74 -6.726 4.021 1.073 597 3HG2 THR 74 HG23 THR 74 -8.216 4.925 0.809 598 H ARG 75 HN ARG 75 -5.659 7.713 -0.896 599 HA ARG 75 HA ARG 75 -6.647 6.558 -3.173 600 1HB ARG 75 HB2 ARG 75 -6.147 9.003 -2.584 601 2HB ARG 75 HB1 ARG 75 -4.514 8.716 -3.181 602 1HG ARG 75 HG1 ARG 75 -5.386 8.094 -5.376 603 2HG ARG 75 HG2 ARG 75 -7.042 8.255 -4.792 604 1HD ARG 75 HD1 ARG 75 -6.021 10.706 -4.120 605 2HD ARG 75 HD2 ARG 75 -5.130 10.358 -5.614 606 HE ARG 75 HE ARG 75 -7.930 9.656 -5.866 607 1HH1 ARG 75 HH22 ARG 75 -5.690 12.321 -5.900 608 2HH1 ARG 75 HH21 ARG 75 -6.695 13.295 -6.916 609 1HH2 ARG 75 HH12 ARG 75 -9.216 10.939 -7.183 610 2HH2 ARG 75 HH11 ARG 75 -8.677 12.520 -7.638 611 H LYS 76 HN LYS 76 -3.122 6.859 -2.446 612 HA LYS 76 HA LYS 76 -2.394 5.573 -4.951 613 1HB LYS 76 HB2 LYS 76 -0.917 6.289 -2.407 614 2HB LYS 76 HB1 LYS 76 -0.120 5.590 -3.817 615 1HG LYS 76 HG1 LYS 76 -1.189 7.468 -5.180 616 2HG LYS 76 HG2 LYS 76 -1.604 8.219 -3.642 617 1HD LYS 76 HD2 LYS 76 0.696 8.439 -3.026 618 2HD LYS 76 HD1 LYS 76 1.215 7.372 -4.330 619 1HE LYS 76 HE1 LYS 76 -0.245 9.420 -5.602 620 2HE LYS 76 HE2 LYS 76 0.777 10.237 -4.405 621 1HZ LYS 76 HZ1 LYS 76 1.776 8.075 -6.177 622 2HZ LYS 76 HZ2 LYS 76 2.690 9.142 -5.223 623 3HZ LYS 76 HZ3 LYS 76 1.877 9.716 -6.600 624 H ILE 77 HN ILE 77 -2.266 4.488 -1.525 625 HA ILE 77 HA ILE 77 -1.409 1.820 -2.062 626 HB ILE 77 HB ILE 77 -3.261 2.890 0.107 627 1HG1 ILE 77 HG12 ILE 77 -0.239 2.733 -0.051 628 2HG1 ILE 77 HG11 ILE 77 -1.205 4.199 0.026 629 1HG2 ILE 77 HG21 ILE 77 -3.088 0.869 1.123 630 2HG2 ILE 77 HG22 ILE 77 -1.368 0.740 0.755 631 3HG2 ILE 77 HG23 ILE 77 -2.567 0.269 -0.451 632 1HD1 ILE 77 HD11 ILE 77 -0.172 2.717 2.201 633 2HD1 ILE 77 HD12 ILE 77 -1.918 2.465 2.215 634 3HD1 ILE 77 HD13 ILE 77 -1.264 4.101 2.270 635 H TYR 78 HN TYR 78 -4.723 2.804 -1.163 636 HA TYR 78 HA TYR 78 -6.101 0.497 -1.847 637 1HB TYR 78 HB2 TYR 78 -6.634 3.220 -1.243 638 2HB TYR 78 HB1 TYR 78 -7.581 2.831 -2.677 639 HD1 TYR 78 HD1 TYR 78 -9.229 0.994 -2.642 640 HD2 TYR 78 HD2 TYR 78 -7.077 2.150 0.888 641 HE1 TYR 78 HE1 TYR 78 -10.849 -0.260 -1.246 642 HE2 TYR 78 HE2 TYR 78 -8.697 0.901 2.287 643 HH TYR 78 HH TYR 78 -11.333 0.182 1.844 644 H ASP 79 HN ASP 79 -5.092 3.111 -4.088 645 HA ASP 79 HA ASP 79 -6.518 2.184 -6.382 646 1HB ASP 79 HB2 ASP 79 -4.107 3.838 -5.784 647 2HB ASP 79 HB1 ASP 79 -4.249 3.235 -7.431 648 H PHE 80 HN PHE 80 -3.404 1.211 -4.979 649 HA PHE 80 HA PHE 80 -2.550 -0.472 -7.132 650 1HB PHE 80 HB1 PHE 80 -1.627 0.347 -4.629 651 2HB PHE 80 HB2 PHE 80 -1.869 -1.381 -4.428 652 HD1 PHE 80 HD1 PHE 80 -0.646 0.910 -7.138 653 HD2 PHE 80 HD2 PHE 80 -0.072 -2.751 -4.968 654 HE1 PHE 80 HE1 PHE 80 1.356 0.412 -8.510 655 HE2 PHE 80 HE2 PHE 80 1.932 -3.249 -6.340 656 HZ PHE 80 HZ PHE 80 2.637 -1.669 -8.114 657 H LEU 81 HN LEU 81 -4.451 -1.149 -4.209 658 HA LEU 81 HA LEU 81 -4.757 -3.979 -4.979 659 1HB LEU 81 HB2 LEU 81 -6.067 -2.398 -2.736 660 2HB LEU 81 HB1 LEU 81 -5.893 -4.143 -2.832 661 HG LEU 81 HG LEU 81 -4.128 -3.641 -1.416 662 1HD1 LEU 81 HD11 LEU 81 -3.229 -4.699 -3.534 663 2HD1 LEU 81 HD12 LEU 81 -2.043 -3.835 -2.556 664 3HD1 LEU 81 HD13 LEU 81 -2.696 -3.089 -4.012 665 1HD2 LEU 81 HD21 LEU 81 -4.597 -1.037 -2.196 666 2HD2 LEU 81 HD22 LEU 81 -2.920 -1.319 -2.662 667 3HD2 LEU 81 HD23 LEU 81 -3.425 -1.569 -0.991 668 H ILE 82 HN ILE 82 -6.329 -1.034 -5.670 669 HA ILE 82 HA ILE 82 -9.001 -2.193 -6.103 670 HB ILE 82 HB ILE 82 -7.654 0.481 -6.317 671 1HG1 ILE 82 HG12 ILE 82 -8.474 -0.436 -4.146 672 2HG1 ILE 82 HG11 ILE 82 -9.291 1.033 -4.627 673 1HG2 ILE 82 HG21 ILE 82 -9.097 1.157 -7.922 674 2HG2 ILE 82 HG22 ILE 82 -10.405 0.875 -6.775 675 3HG2 ILE 82 HG23 ILE 82 -9.931 -0.396 -7.900 676 1HD1 ILE 82 HD11 ILE 82 -10.340 -1.780 -4.752 677 2HD1 ILE 82 HD12 ILE 82 -11.093 -0.466 -5.654 678 3HD1 ILE 82 HD13 ILE 82 -11.024 -0.397 -3.895 679 H ARG 83 HN ARG 83 -6.191 -1.057 -7.936 680 HA ARG 83 HA ARG 83 -7.472 -1.618 -10.533 681 1HB ARG 83 HB1 ARG 83 -4.997 -0.322 -9.465 682 2HB ARG 83 HB2 ARG 83 -4.966 -0.878 -11.128 683 1HG ARG 83 HG2 ARG 83 -5.697 1.498 -10.896 684 2HG ARG 83 HG1 ARG 83 -6.906 0.469 -11.645 685 1HD ARG 83 HD1 ARG 83 -8.030 0.235 -9.403 686 2HD ARG 83 HD2 ARG 83 -6.884 1.430 -8.760 687 HE ARG 83 HE ARG 83 -8.026 3.100 -9.994 688 1HH1 ARG 83 HH22 ARG 83 -8.880 -0.082 -11.121 689 2HH1 ARG 83 HH21 ARG 83 -10.119 0.505 -12.175 690 1HH2 ARG 83 HH12 ARG 83 -9.638 3.837 -11.371 691 2HH2 ARG 83 HH11 ARG 83 -10.547 2.706 -12.317 692 H GLU 84 HN GLU 84 -5.267 -3.208 -8.312 693 HA GLU 84 HA GLU 84 -4.381 -5.118 -10.398 694 1HB GLU 84 HB2 GLU 84 -3.643 -4.738 -7.464 695 2HB GLU 84 HB1 GLU 84 -2.911 -5.922 -8.540 696 1HG GLU 84 HG1 GLU 84 -2.772 -2.902 -8.827 697 2HG GLU 84 HG2 GLU 84 -1.450 -3.983 -8.400 698 H GLY 85 HN GLY 85 -4.320 -7.411 -8.980 699 1HA GLY 85 HA2 GLY 85 -7.185 -7.895 -8.456 700 2HA GLY 85 HA1 GLY 85 -5.954 -9.107 -8.699 701 H TYR 86 HN TYR 86 -7.343 -6.910 -6.363 702 HA TYR 86 HA TYR 86 -6.324 -8.659 -4.192 703 1HB TYR 86 HB1 TYR 86 -5.702 -5.728 -4.627 704 2HB TYR 86 HB2 TYR 86 -5.601 -6.457 -3.024 705 HD1 TYR 86 HD1 TYR 86 -3.584 -5.486 -5.569 706 HD2 TYR 86 HD2 TYR 86 -4.502 -9.053 -3.360 707 HE1 TYR 86 HE1 TYR 86 -1.351 -6.408 -6.131 708 HE2 TYR 86 HE2 TYR 86 -2.270 -9.976 -3.923 709 HH TYR 86 HH TYR 86 -0.144 -8.376 -6.207 710 H ILE 87 HN ILE 87 -8.092 -5.629 -4.893 711 HA ILE 87 HA ILE 87 -10.327 -6.641 -3.191 712 HB ILE 87 HB ILE 87 -10.438 -4.427 -2.087 713 1HG1 ILE 87 HG12 ILE 87 -7.802 -3.712 -3.329 714 2HG1 ILE 87 HG11 ILE 87 -9.299 -3.324 -4.176 715 1HG2 ILE 87 HG21 ILE 87 -8.877 -5.005 -0.542 716 2HG2 ILE 87 HG22 ILE 87 -7.567 -4.984 -1.725 717 3HG2 ILE 87 HG23 ILE 87 -8.606 -6.403 -1.579 718 1HD1 ILE 87 HD11 ILE 87 -8.152 -1.705 -2.304 719 2HD1 ILE 87 HD12 ILE 87 -9.263 -2.635 -1.299 720 3HD1 ILE 87 HD13 ILE 87 -9.877 -1.711 -2.667 721 H THR 88 HN THR 88 -12.075 -4.555 -3.421 722 HA THR 88 HA THR 88 -12.186 -3.776 -6.294 723 HB THR 88 HB THR 88 -14.475 -4.756 -6.425 724 HG1 THR 88 HG1 THR 88 -13.857 -5.932 -3.928 725 1HG2 THR 88 HG21 THR 88 -12.440 -6.779 -5.447 726 2HG2 THR 88 HG22 THR 88 -12.434 -6.076 -7.065 727 3HG2 THR 88 HG23 THR 88 -13.788 -7.080 -6.544 728 H LYS 89 HN LYS 89 -13.408 -1.881 -6.628 729 HA LYS 89 HA LYS 89 -14.107 -0.366 -4.192 730 1HB LYS 89 HB1 LYS 89 -14.152 1.519 -5.743 731 2HB LYS 89 HB2 LYS 89 -12.703 0.555 -6.028 732 1HG LYS 89 HG2 LYS 89 -14.497 -0.679 -7.668 733 2HG LYS 89 HG1 LYS 89 -15.050 0.985 -7.755 734 1HD LYS 89 HD1 LYS 89 -12.233 1.104 -7.900 735 2HD LYS 89 HD2 LYS 89 -12.710 -0.222 -8.963 736 1HE LYS 89 HE1 LYS 89 -13.427 1.274 -10.504 737 2HE LYS 89 HE2 LYS 89 -14.548 1.956 -9.310 738 1HZ LYS 89 HZ1 LYS 89 -13.007 3.666 -9.888 739 2HZ LYS 89 HZ2 LYS 89 -11.677 2.629 -9.689 740 3HZ LYS 89 HZ3 LYS 89 -12.579 3.122 -8.337 741 H ALA 90 HN ALA 90 -15.885 -2.532 -4.729 742 HA ALA 90 HA ALA 90 -18.180 -1.949 -6.260 743 1HB ALA 90 HB1 ALA 90 -19.279 -3.459 -4.532 744 2HB ALA 90 HB2 ALA 90 -17.779 -3.377 -3.609 745 3HB ALA 90 HB3 ALA 90 -17.786 -4.102 -5.217 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -10.654 -11.208 -6.198 2 2H GLY 1 HT2 GLY 1 -11.624 -9.867 -6.578 3 3H GLY 1 HT3 GLY 1 -11.447 -11.132 -7.698 4 1HA GLY 1 HA1 GLY 1 -13.603 -11.102 -6.440 5 2HA GLY 1 HA2 GLY 1 -12.704 -12.619 -6.403 6 H SER 2 HN SER 2 -10.856 -12.402 -4.531 7 HA SER 2 HA SER 2 -10.551 -12.476 -2.188 8 1HB SER 2 HB2 SER 2 -10.903 -9.934 -3.023 9 2HB SER 2 HB1 SER 2 -12.296 -10.060 -1.949 10 HG SER 2 HG SER 2 -10.080 -9.413 -1.102 11 H ASN 3 HN ASN 3 -12.343 -11.566 -0.147 12 HA ASN 3 HA ASN 3 -14.944 -12.886 -0.619 13 1HB ASN 3 HB2 ASN 3 -13.091 -14.604 -0.074 14 2HB ASN 3 HB1 ASN 3 -13.082 -13.903 1.545 15 1HD2 ASN 3 HD21 ASN 3 -13.859 -16.228 2.095 16 2HD2 ASN 3 HD22 ASN 3 -15.530 -16.521 2.021 17 H SER 4 HN SER 4 -12.740 -11.700 1.953 18 HA SER 4 HA SER 4 -15.009 -10.739 3.560 19 1HB SER 4 HB1 SER 4 -12.020 -10.942 3.753 20 2HB SER 4 HB2 SER 4 -12.849 -9.819 4.831 21 HG SER 4 HG SER 4 -12.548 -12.268 5.325 22 H GLY 5 HN GLY 5 -15.799 -9.206 1.843 23 1HA GLY 5 HA1 GLY 5 -14.283 -6.634 1.982 24 2HA GLY 5 HA2 GLY 5 -14.996 -7.181 0.464 25 H ARG 6 HN ARG 6 -15.616 -5.662 3.513 26 HA ARG 6 HA ARG 6 -18.390 -5.060 2.610 27 1HB ARG 6 HB2 ARG 6 -17.764 -7.055 4.451 28 2HB ARG 6 HB1 ARG 6 -18.174 -5.679 5.474 29 1HG ARG 6 HG2 ARG 6 -20.368 -5.808 4.933 30 2HG ARG 6 HG1 ARG 6 -20.011 -5.987 3.215 31 1HD ARG 6 HD1 ARG 6 -19.482 -8.392 3.592 32 2HD ARG 6 HD2 ARG 6 -19.913 -8.198 5.301 33 HE ARG 6 HE ARG 6 -21.989 -7.191 3.530 34 1HH1 ARG 6 HH12 ARG 6 -20.647 -10.056 4.985 35 2HH1 ARG 6 HH11 ARG 6 -22.139 -10.927 4.908 36 1HH2 ARG 6 HH22 ARG 6 -23.914 -8.343 3.442 37 2HH2 ARG 6 HH21 ARG 6 -23.976 -9.967 4.041 38 H ARG 7 HN ARG 7 -19.009 -3.914 5.258 39 HA ARG 7 HA ARG 7 -18.828 -1.803 6.305 40 1HB ARG 7 HB2 ARG 7 -16.218 -3.104 6.101 41 2HB ARG 7 HB1 ARG 7 -16.063 -1.349 6.188 42 1HG ARG 7 HG2 ARG 7 -17.210 -1.239 8.260 43 2HG ARG 7 HG1 ARG 7 -17.862 -2.868 8.080 44 1HD ARG 7 HD2 ARG 7 -15.148 -3.338 7.960 45 2HD ARG 7 HD1 ARG 7 -15.245 -2.009 9.131 46 HE ARG 7 HE ARG 7 -16.398 -3.468 10.599 47 1HH1 ARG 7 HH21 ARG 7 -16.406 -4.716 7.349 48 2HH1 ARG 7 HH22 ARG 7 -17.129 -6.217 7.810 49 1HH2 ARG 7 HH11 ARG 7 -17.337 -5.425 11.172 50 2HH2 ARG 7 HH12 ARG 7 -17.654 -6.618 9.957 51 H SER 8 HN SER 8 -17.597 0.470 5.925 52 HA SER 8 HA SER 8 -16.926 1.054 3.139 53 1HB SER 8 HB2 SER 8 -19.593 0.801 3.740 54 2HB SER 8 HB1 SER 8 -19.346 2.528 4.001 55 HG SER 8 HG SER 8 -19.835 2.207 1.854 56 H ALA 9 HN ALA 9 -18.368 2.692 5.999 57 HA ALA 9 HA ALA 9 -17.682 4.656 7.124 58 1HB ALA 9 HB1 ALA 9 -15.707 3.863 7.935 59 2HB ALA 9 HB2 ALA 9 -14.935 4.728 6.605 60 3HB ALA 9 HB3 ALA 9 -15.349 3.023 6.426 61 HA PRO 10 HA PRO 10 -17.336 8.032 4.350 62 1HB PRO 10 HB1 PRO 10 -15.200 9.537 5.325 63 2HB PRO 10 HB2 PRO 10 -16.855 9.592 5.950 64 1HG PRO 10 HG2 PRO 10 -14.492 8.155 7.010 65 2HG PRO 10 HG1 PRO 10 -15.804 8.954 7.875 66 1HD PRO 10 HD1 PRO 10 -15.628 6.279 7.603 67 2HD PRO 10 HD2 PRO 10 -17.173 7.132 7.706 68 HA PRO 11 HA PRO 11 -13.955 6.421 1.842 69 1HB PRO 11 HB2 PRO 11 -15.183 6.552 -0.543 70 2HB PRO 11 HB1 PRO 11 -15.661 5.334 0.659 71 1HG PRO 11 HG2 PRO 11 -16.921 7.947 -0.002 72 2HG PRO 11 HG1 PRO 11 -17.697 6.384 0.279 73 1HD PRO 11 HD1 PRO 11 -17.494 8.395 2.153 74 2HD PRO 11 HD2 PRO 11 -17.678 6.677 2.556 75 H LEU 12 HN LEU 12 -13.220 7.367 -0.542 76 HA LEU 12 HA LEU 12 -13.305 10.340 -0.499 77 1HB LEU 12 HB2 LEU 12 -10.902 8.531 -0.210 78 2HB LEU 12 HB1 LEU 12 -10.739 10.188 -0.790 79 HG LEU 12 HG LEU 12 -12.379 10.440 1.440 80 1HD1 LEU 12 HD11 LEU 12 -12.067 8.372 2.436 81 2HD1 LEU 12 HD12 LEU 12 -10.692 9.246 3.112 82 3HD1 LEU 12 HD13 LEU 12 -10.459 8.164 1.738 83 1HD2 LEU 12 HD21 LEU 12 -9.371 10.646 1.564 84 2HD2 LEU 12 HD22 LEU 12 -10.574 11.680 2.335 85 3HD2 LEU 12 HD23 LEU 12 -10.327 11.766 0.591 86 H ASN 13 HN ASN 13 -11.088 8.186 -2.192 87 HA ASN 13 HA ASN 13 -12.592 8.659 -4.734 88 1HB ASN 13 HB2 ASN 13 -10.415 9.179 -5.792 89 2HB ASN 13 HB1 ASN 13 -10.741 10.287 -4.460 90 1HD2 ASN 13 HD21 ASN 13 -8.081 9.332 -5.583 91 2HD2 ASN 13 HD22 ASN 13 -7.256 8.678 -4.251 92 H LEU 14 HN LEU 14 -11.459 6.352 -2.663 93 HA LEU 14 HA LEU 14 -10.464 4.500 -4.768 94 1HB LEU 14 HB1 LEU 14 -9.246 4.807 -2.616 95 2HB LEU 14 HB2 LEU 14 -10.680 4.262 -1.746 96 HG LEU 14 HG LEU 14 -10.191 2.306 -3.724 97 1HD1 LEU 14 HD11 LEU 14 -7.969 2.549 -4.138 98 2HD1 LEU 14 HD12 LEU 14 -7.764 1.824 -2.543 99 3HD1 LEU 14 HD13 LEU 14 -7.725 3.577 -2.725 100 1HD2 LEU 14 HD21 LEU 14 -10.477 0.961 -1.920 101 2HD2 LEU 14 HD22 LEU 14 -10.767 2.453 -1.027 102 3HD2 LEU 14 HD23 LEU 14 -9.159 1.728 -1.035 103 H THR 15 HN THR 15 -13.379 5.305 -3.173 104 HA THR 15 HA THR 15 -14.520 2.614 -3.081 105 HB THR 15 HB THR 15 -15.176 4.415 -1.537 106 HG1 THR 15 HG1 THR 15 -17.011 3.435 -1.604 107 1HG2 THR 15 HG21 THR 15 -14.913 6.426 -2.701 108 2HG2 THR 15 HG22 THR 15 -16.668 6.256 -2.671 109 3HG2 THR 15 HG23 THR 15 -15.766 5.828 -4.124 110 H GLY 16 HN GLY 16 -16.109 1.786 -4.525 111 1HA GLY 16 HA2 GLY 16 -17.285 1.559 -6.548 112 2HA GLY 16 HA1 GLY 16 -17.102 3.297 -6.781 113 H LEU 17 HN LEU 17 -14.304 1.263 -6.238 114 HA LEU 17 HA LEU 17 -13.608 1.537 -9.141 115 1HB LEU 17 HB2 LEU 17 -12.086 2.126 -6.609 116 2HB LEU 17 HB1 LEU 17 -11.218 1.779 -8.095 117 HG LEU 17 HG LEU 17 -13.346 3.915 -7.792 118 1HD1 LEU 17 HD21 LEU 17 -10.401 4.402 -8.207 119 2HD1 LEU 17 HD22 LEU 17 -11.045 4.184 -6.581 120 3HD1 LEU 17 HD23 LEU 17 -11.628 5.507 -7.589 121 1HD2 LEU 17 HD11 LEU 17 -12.238 4.641 -9.997 122 2HD2 LEU 17 HD12 LEU 17 -13.274 3.216 -10.057 123 3HD2 LEU 17 HD13 LEU 17 -11.522 3.032 -10.023 124 HA PRO 18 HA PRO 18 -12.604 -2.690 -9.416 125 1HB PRO 18 HB1 PRO 18 -9.915 -2.656 -10.232 126 2HB PRO 18 HB2 PRO 18 -11.316 -2.485 -11.305 127 1HG PRO 18 HG2 PRO 18 -9.575 -0.377 -10.100 128 2HG PRO 18 HG1 PRO 18 -10.272 -0.472 -11.729 129 1HD PRO 18 HD1 PRO 18 -11.318 1.129 -9.883 130 2HD PRO 18 HD2 PRO 18 -12.367 0.232 -11.000 131 H GLY 19 HN GLY 19 -9.279 -1.776 -8.592 132 1HA GLY 19 HA1 GLY 19 -8.736 -3.900 -6.916 133 2HA GLY 19 HA2 GLY 19 -7.944 -2.341 -6.738 134 H THR 20 HN THR 20 -10.704 -1.129 -6.102 135 HA THR 20 HA THR 20 -10.596 -0.823 -3.381 136 HB THR 20 HB THR 20 -13.139 -1.322 -4.955 137 HG1 THR 20 HG1 THR 20 -11.399 0.906 -4.836 138 1HG2 THR 20 HG21 THR 20 -13.975 -0.803 -2.898 139 2HG2 THR 20 HG22 THR 20 -13.559 0.850 -3.353 140 3HG2 THR 20 HG23 THR 20 -12.455 -0.095 -2.353 141 H GLU 21 HN GLU 21 -12.067 -3.612 -5.041 142 HA GLU 21 HA GLU 21 -12.838 -4.843 -2.470 143 1HB GLU 21 HB1 GLU 21 -14.316 -5.038 -4.391 144 2HB GLU 21 HB2 GLU 21 -13.003 -5.649 -5.394 145 1HG GLU 21 HG2 GLU 21 -13.510 -7.747 -4.757 146 2HG GLU 21 HG1 GLU 21 -13.157 -7.312 -3.084 147 H LYS 22 HN LYS 22 -10.224 -4.958 -4.781 148 HA LYS 22 HA LYS 22 -9.177 -7.555 -3.976 149 1HB LYS 22 HB1 LYS 22 -7.980 -5.144 -5.393 150 2HB LYS 22 HB2 LYS 22 -7.216 -6.731 -5.304 151 1HG LYS 22 HG2 LYS 22 -9.756 -7.344 -6.193 152 2HG LYS 22 HG1 LYS 22 -9.429 -5.814 -7.005 153 1HD LYS 22 HD1 LYS 22 -7.303 -6.712 -7.863 154 2HD LYS 22 HD2 LYS 22 -7.601 -8.236 -7.028 155 1HE LYS 22 HE1 LYS 22 -9.731 -8.471 -8.368 156 2HE LYS 22 HE2 LYS 22 -9.232 -7.046 -9.300 157 1HZ LYS 22 HZ1 LYS 22 -7.686 -9.565 -8.939 158 2HZ LYS 22 HZ2 LYS 22 -7.099 -8.179 -9.725 159 3HZ LYS 22 HZ3 LYS 22 -8.414 -9.032 -10.378 160 H LEU 23 HN LEU 23 -8.991 -4.295 -2.750 161 HA LEU 23 HA LEU 23 -6.510 -4.545 -1.289 162 1HB LEU 23 HB1 LEU 23 -8.996 -2.826 -0.955 163 2HB LEU 23 HB2 LEU 23 -7.489 -2.552 -0.081 164 HG LEU 23 HG LEU 23 -7.843 -2.510 -3.094 165 1HD1 LEU 23 HD21 LEU 23 -6.734 -0.139 -1.848 166 2HD1 LEU 23 HD22 LEU 23 -8.306 -0.531 -1.153 167 3HD1 LEU 23 HD23 LEU 23 -8.148 -0.287 -2.892 168 1HD2 LEU 23 HD11 LEU 23 -5.662 -3.346 -2.725 169 2HD2 LEU 23 HD12 LEU 23 -5.419 -2.327 -1.306 170 3HD2 LEU 23 HD13 LEU 23 -5.426 -1.609 -2.917 171 H ASN 24 HN ASN 24 -6.207 -5.950 0.393 172 HA ASN 24 HA ASN 24 -8.120 -7.550 1.659 173 1HB ASN 24 HB1 ASN 24 -5.380 -6.544 2.172 174 2HB ASN 24 HB2 ASN 24 -6.225 -7.134 3.604 175 1HD2 ASN 24 HD22 ASN 24 -5.254 -8.103 0.289 176 2HD2 ASN 24 HD21 ASN 24 -5.265 -9.771 0.605 177 H GLU 25 HN GLU 25 -8.930 -7.387 3.949 178 HA GLU 25 HA GLU 25 -10.537 -5.161 4.465 179 1HB GLU 25 HB1 GLU 25 -9.183 -7.194 6.262 180 2HB GLU 25 HB2 GLU 25 -10.384 -6.056 6.874 181 1HG GLU 25 HG1 GLU 25 -11.582 -7.080 4.587 182 2HG GLU 25 HG2 GLU 25 -10.765 -8.481 5.279 183 H LYS 26 HN LYS 26 -7.147 -5.672 5.391 184 HA LYS 26 HA LYS 26 -7.015 -3.202 6.972 185 1HB LYS 26 HB2 LYS 26 -5.365 -5.543 6.283 186 2HB LYS 26 HB1 LYS 26 -4.435 -4.049 6.399 187 1HG LYS 26 HG1 LYS 26 -5.312 -3.630 8.636 188 2HG LYS 26 HG2 LYS 26 -6.365 -5.040 8.519 189 1HD LYS 26 HD1 LYS 26 -3.859 -6.069 7.916 190 2HD LYS 26 HD2 LYS 26 -3.516 -4.894 9.185 191 1HE LYS 26 HE2 LYS 26 -5.460 -5.957 10.490 192 2HE LYS 26 HE1 LYS 26 -5.384 -7.276 9.306 193 1HZ LYS 26 HZ1 LYS 26 -3.914 -7.518 11.339 194 2HZ LYS 26 HZ2 LYS 26 -2.982 -6.245 10.711 195 3HZ LYS 26 HZ3 LYS 26 -3.140 -7.694 9.838 196 H GLU 27 HN GLU 27 -5.948 -4.311 3.755 197 HA GLU 27 HA GLU 27 -4.593 -1.879 3.014 198 1HB GLU 27 HB2 GLU 27 -5.948 -4.063 1.384 199 2HB GLU 27 HB1 GLU 27 -4.795 -2.893 0.741 200 1HG GLU 27 HG2 GLU 27 -3.147 -3.731 2.486 201 2HG GLU 27 HG1 GLU 27 -4.284 -5.038 2.817 202 H LYS 28 HN LYS 28 -7.948 -2.995 2.727 203 HA LYS 28 HA LYS 28 -9.023 -1.091 0.956 204 1HB LYS 28 HB2 LYS 28 -9.877 -2.973 2.961 205 2HB LYS 28 HB1 LYS 28 -10.809 -1.489 3.153 206 1HG LYS 28 HG1 LYS 28 -11.926 -1.802 1.199 207 2HG LYS 28 HG2 LYS 28 -10.475 -2.333 0.348 208 1HD LYS 28 HD2 LYS 28 -10.767 -4.471 1.903 209 2HD LYS 28 HD1 LYS 28 -12.450 -3.942 1.919 210 1HE LYS 28 HE2 LYS 28 -12.599 -4.075 -0.485 211 2HE LYS 28 HE1 LYS 28 -10.846 -4.306 -0.634 212 1HZ LYS 28 HZ1 LYS 28 -12.758 -6.121 0.749 213 2HZ LYS 28 HZ2 LYS 28 -11.073 -6.324 0.729 214 3HZ LYS 28 HZ3 LYS 28 -11.959 -6.441 -0.715 215 H GLU 29 HN GLU 29 -8.897 -0.825 4.532 216 HA GLU 29 HA GLU 29 -9.730 1.923 4.623 217 1HB GLU 29 HB2 GLU 29 -8.525 -0.138 6.417 218 2HB GLU 29 HB1 GLU 29 -8.402 1.540 6.946 219 1HG GLU 29 HG2 GLU 29 -10.806 1.818 6.813 220 2HG GLU 29 HG1 GLU 29 -10.994 0.225 6.080 221 H LEU 30 HN LEU 30 -6.532 0.374 4.460 222 HA LEU 30 HA LEU 30 -4.844 2.531 5.076 223 1HB LEU 30 HB2 LEU 30 -4.146 0.208 4.589 224 2HB LEU 30 HB1 LEU 30 -4.597 0.421 2.897 225 HG LEU 30 HG LEU 30 -2.916 2.595 3.487 226 1HD1 LEU 30 HD11 LEU 30 -0.990 1.712 4.547 227 2HD1 LEU 30 HD12 LEU 30 -1.560 0.051 4.384 228 3HD1 LEU 30 HD13 LEU 30 -2.332 1.139 5.538 229 1HD2 LEU 30 HD21 LEU 30 -1.858 0.086 2.232 230 2HD2 LEU 30 HD22 LEU 30 -1.674 1.760 1.709 231 3HD2 LEU 30 HD23 LEU 30 -3.205 0.921 1.458 232 H CYS 31 HN CYS 31 -6.555 1.845 2.033 233 HA CYS 31 HA CYS 31 -5.363 4.125 0.623 234 1HB CYS 31 HB1 CYS 31 -7.294 1.911 0.164 235 2HB CYS 31 HB2 CYS 31 -7.575 3.364 -0.796 236 HG CYS 31 HG CYS 31 -5.554 2.858 -2.142 237 H GLN 32 HN GLN 32 -8.428 3.399 2.287 238 HA GLN 32 HA GLN 32 -9.837 5.783 1.590 239 1HB GLN 32 HB2 GLN 32 -9.884 3.790 3.857 240 2HB GLN 32 HB1 GLN 32 -10.976 5.175 3.868 241 1HG GLN 32 HG2 GLN 32 -11.801 4.512 1.618 242 2HG GLN 32 HG1 GLN 32 -10.751 3.095 1.668 243 1HE2 GLN 32 HE21 GLN 32 -12.569 1.586 1.698 244 2HE2 GLN 32 HE22 GLN 32 -13.571 1.430 3.059 245 H VAL 33 HN VAL 33 -7.178 5.254 3.763 246 HA VAL 33 HA VAL 33 -7.645 7.762 5.271 247 HB VAL 33 HB VAL 33 -5.376 5.733 5.228 248 1HG1 VAL 33 HG11 VAL 33 -4.979 6.788 7.548 249 2HG1 VAL 33 HG12 VAL 33 -5.999 8.112 6.984 250 3HG1 VAL 33 HG13 VAL 33 -4.493 7.738 6.144 251 1HG2 VAL 33 HG21 VAL 33 -7.868 5.182 6.022 252 2HG2 VAL 33 HG22 VAL 33 -7.317 5.999 7.485 253 3HG2 VAL 33 HG23 VAL 33 -6.466 4.569 6.901 254 H VAL 34 HN VAL 34 -5.018 6.377 3.284 255 HA VAL 34 HA VAL 34 -4.101 9.099 2.546 256 HB VAL 34 HB VAL 34 -2.293 7.766 1.418 257 1HG1 VAL 34 HG21 VAL 34 -2.972 7.209 4.308 258 2HG1 VAL 34 HG22 VAL 34 -1.814 8.373 3.664 259 3HG1 VAL 34 HG23 VAL 34 -1.466 6.646 3.581 260 1HG2 VAL 34 HG11 VAL 34 -2.627 5.605 0.908 261 2HG2 VAL 34 HG12 VAL 34 -4.242 5.711 1.609 262 3HG2 VAL 34 HG13 VAL 34 -2.876 5.220 2.611 263 H ARG 35 HN ARG 35 -6.091 9.595 1.360 264 HA ARG 35 HA ARG 35 -7.578 8.461 -0.547 265 1HB ARG 35 HB2 ARG 35 -7.249 10.935 0.148 266 2HB ARG 35 HB1 ARG 35 -6.117 11.027 -1.201 267 1HG ARG 35 HG1 ARG 35 -7.822 10.457 -2.786 268 2HG ARG 35 HG2 ARG 35 -8.947 10.000 -1.507 269 1HD ARG 35 HD2 ARG 35 -9.739 12.141 -1.855 270 2HD ARG 35 HD1 ARG 35 -8.398 12.572 -0.777 271 HE ARG 35 HE ARG 35 -7.545 12.292 -3.548 272 1HH1 ARG 35 HH12 ARG 35 -9.010 14.428 -1.221 273 2HH1 ARG 35 HH11 ARG 35 -8.518 15.858 -2.060 274 1HH2 ARG 35 HH21 ARG 35 -6.917 14.163 -4.618 275 2HH2 ARG 35 HH22 ARG 35 -7.341 15.712 -3.968 276 H LEU 36 HN LEU 36 -6.626 6.706 -1.690 277 HA LEU 36 HA LEU 36 -4.873 7.526 -3.974 278 1HB LEU 36 HB1 LEU 36 -4.121 6.041 -1.687 279 2HB LEU 36 HB2 LEU 36 -4.285 4.857 -2.979 280 HG LEU 36 HG LEU 36 -2.957 6.771 -4.327 281 1HD1 LEU 36 HD11 LEU 36 -1.849 8.265 -3.041 282 2HD1 LEU 36 HD12 LEU 36 -1.345 7.016 -1.901 283 3HD1 LEU 36 HD13 LEU 36 -2.927 7.778 -1.732 284 1HD2 LEU 36 HD21 LEU 36 -1.636 4.953 -4.470 285 2HD2 LEU 36 HD22 LEU 36 -2.301 4.307 -2.970 286 3HD2 LEU 36 HD23 LEU 36 -0.922 5.405 -2.922 287 H VAL 37 HN VAL 37 -4.885 5.791 -5.703 288 HA VAL 37 HA VAL 37 -7.625 4.714 -6.042 289 HB VAL 37 HB VAL 37 -5.174 5.167 -7.763 290 1HG1 VAL 37 HG11 VAL 37 -7.752 4.084 -8.880 291 2HG1 VAL 37 HG12 VAL 37 -6.484 2.989 -8.341 292 3HG1 VAL 37 HG13 VAL 37 -6.158 4.136 -9.633 293 1HG2 VAL 37 HG21 VAL 37 -6.791 6.618 -9.004 294 2HG2 VAL 37 HG22 VAL 37 -6.537 7.121 -7.333 295 3HG2 VAL 37 HG23 VAL 37 -8.001 6.243 -7.777 296 HA PRO 38 HA PRO 38 -6.413 0.610 -5.026 297 1HB PRO 38 HB1 PRO 38 -8.079 -0.484 -7.192 298 2HB PRO 38 HB2 PRO 38 -8.313 -0.596 -5.440 299 1HG PRO 38 HG2 PRO 38 -9.887 0.888 -7.048 300 2HG PRO 38 HG1 PRO 38 -9.566 1.307 -5.361 301 1HD PRO 38 HD2 PRO 38 -8.408 2.469 -7.856 302 2HD PRO 38 HD1 PRO 38 -8.869 3.268 -6.342 303 H GLY 39 HN GLY 39 -7.005 0.379 -8.554 304 1HA GLY 39 HA1 GLY 39 -4.902 -1.394 -9.121 305 2HA GLY 39 HA2 GLY 39 -5.560 -0.263 -10.295 306 H ALA 40 HN ALA 40 -4.824 2.106 -8.730 307 HA ALA 40 HA ALA 40 -2.147 2.522 -9.699 308 1HB ALA 40 HB1 ALA 40 -4.018 4.209 -9.220 309 2HB ALA 40 HB2 ALA 40 -2.414 4.672 -8.650 310 3HB ALA 40 HB3 ALA 40 -3.604 4.037 -7.514 311 H TYR 41 HN TYR 41 -3.538 1.700 -6.540 312 HA TYR 41 HA TYR 41 -1.071 1.817 -5.044 313 1HB TYR 41 HB2 TYR 41 -3.292 1.935 -4.022 314 2HB TYR 41 HB1 TYR 41 -3.705 0.346 -4.661 315 HD1 TYR 41 HD1 TYR 41 -2.019 2.174 -2.010 316 HD2 TYR 41 HD2 TYR 41 -2.450 -1.683 -3.851 317 HE1 TYR 41 HE1 TYR 41 -1.027 1.104 -0.004 318 HE2 TYR 41 HE2 TYR 41 -1.458 -2.752 -1.846 319 HH TYR 41 HH TYR 41 -1.231 -2.167 0.624 320 H LEU 42 HN LEU 42 -2.892 -0.880 -6.549 321 HA LEU 42 HA LEU 42 -1.200 -3.027 -5.826 322 1HB LEU 42 HB2 LEU 42 -2.799 -2.398 -8.332 323 2HB LEU 42 HB1 LEU 42 -2.094 -3.982 -8.017 324 HG LEU 42 HG LEU 42 -3.657 -2.880 -5.769 325 1HD1 LEU 42 HD21 LEU 42 -4.817 -3.230 -8.498 326 2HD1 LEU 42 HD22 LEU 42 -5.298 -2.127 -7.209 327 3HD1 LEU 42 HD23 LEU 42 -5.756 -3.828 -7.132 328 1HD2 LEU 42 HD11 LEU 42 -3.638 -5.505 -7.285 329 2HD2 LEU 42 HD12 LEU 42 -4.522 -5.209 -5.788 330 3HD2 LEU 42 HD13 LEU 42 -2.759 -5.162 -5.795 331 H GLU 43 HN GLU 43 -0.847 -0.551 -8.317 332 HA GLU 43 HA GLU 43 1.427 -1.753 -9.663 333 1HB GLU 43 HB2 GLU 43 -0.180 0.712 -9.671 334 2HB GLU 43 HB1 GLU 43 1.522 1.007 -10.028 335 1HG GLU 43 HG1 GLU 43 0.375 -1.341 -11.401 336 2HG GLU 43 HG2 GLU 43 -0.327 0.203 -11.884 337 H TYR 44 HN TYR 44 1.210 1.119 -7.523 338 HA TYR 44 HA TYR 44 3.916 1.538 -6.977 339 1HB TYR 44 HB1 TYR 44 1.357 1.796 -5.393 340 2HB TYR 44 HB2 TYR 44 2.894 2.266 -4.662 341 HD1 TYR 44 HD1 TYR 44 0.166 3.538 -6.370 342 HD2 TYR 44 HD2 TYR 44 4.457 3.612 -6.496 343 HE1 TYR 44 HE1 TYR 44 0.092 5.681 -7.617 344 HE2 TYR 44 HE2 TYR 44 4.385 5.756 -7.741 345 HH TYR 44 HH TYR 44 2.742 6.955 -9.235 346 H LYS 45 HN LYS 45 1.748 -0.338 -4.829 347 HA LYS 45 HA LYS 45 3.636 -1.538 -3.166 348 1HB LYS 45 HB1 LYS 45 1.024 -1.639 -3.323 349 2HB LYS 45 HB2 LYS 45 1.294 -3.049 -4.347 350 1HG LYS 45 HG2 LYS 45 2.898 -3.076 -1.893 351 2HG LYS 45 HG1 LYS 45 1.164 -3.096 -1.586 352 1HD LYS 45 HD2 LYS 45 0.866 -5.135 -2.645 353 2HD LYS 45 HD1 LYS 45 2.242 -4.896 -3.720 354 1HE LYS 45 HE1 LYS 45 3.096 -4.981 -0.932 355 2HE LYS 45 HE2 LYS 45 2.235 -6.461 -1.399 356 1HZ LYS 45 HZ1 LYS 45 4.724 -6.276 -1.966 357 2HZ LYS 45 HZ2 LYS 45 4.226 -5.219 -3.198 358 3HZ LYS 45 HZ3 LYS 45 3.668 -6.822 -3.179 359 H SER 46 HN SER 46 2.591 -2.667 -6.404 360 HA SER 46 HA SER 46 4.076 -5.108 -6.431 361 1HB SER 46 HB1 SER 46 2.800 -3.221 -8.348 362 2HB SER 46 HB2 SER 46 4.013 -4.299 -9.038 363 HG SER 46 HG SER 46 1.573 -4.911 -8.606 364 H ALA 47 HN ALA 47 4.965 -1.815 -7.510 365 HA ALA 47 HA ALA 47 7.563 -2.395 -8.498 366 1HB ALA 47 HB1 ALA 47 6.561 0.058 -6.999 367 2HB ALA 47 HB2 ALA 47 6.257 -0.259 -8.707 368 3HB ALA 47 HB3 ALA 47 7.905 0.016 -8.141 369 H LEU 48 HN LEU 48 6.364 -1.988 -5.204 370 HA LEU 48 HA LEU 48 8.951 -1.733 -3.937 371 1HB LEU 48 HB1 LEU 48 6.415 -2.871 -2.717 372 2HB LEU 48 HB2 LEU 48 7.680 -1.957 -1.909 373 HG LEU 48 HG LEU 48 5.554 -0.949 -3.786 374 1HD1 LEU 48 HD21 LEU 48 6.035 0.795 -1.643 375 2HD1 LEU 48 HD22 LEU 48 6.129 -0.827 -0.959 376 3HD1 LEU 48 HD23 LEU 48 4.679 -0.314 -1.823 377 1HD2 LEU 48 HD11 LEU 48 8.311 0.044 -3.482 378 2HD2 LEU 48 HD12 LEU 48 7.076 1.269 -3.208 379 3HD2 LEU 48 HD13 LEU 48 7.125 0.396 -4.739 380 H LEU 49 HN LEU 49 6.667 -4.503 -3.901 381 HA LEU 49 HA LEU 49 8.327 -6.456 -2.825 382 1HB LEU 49 HB1 LEU 49 5.850 -6.320 -3.943 383 2HB LEU 49 HB2 LEU 49 6.697 -7.219 -5.201 384 HG LEU 49 HG LEU 49 5.708 -8.760 -3.557 385 1HD1 LEU 49 HD21 LEU 49 8.610 -8.875 -2.877 386 2HD1 LEU 49 HD22 LEU 49 8.183 -8.927 -4.587 387 3HD1 LEU 49 HD23 LEU 49 7.548 -10.146 -3.482 388 1HD2 LEU 49 HD11 LEU 49 5.670 -8.209 -1.378 389 2HD2 LEU 49 HD12 LEU 49 6.620 -6.765 -1.731 390 3HD2 LEU 49 HD13 LEU 49 7.432 -8.278 -1.325 391 H ASN 50 HN ASN 50 8.478 -5.073 -6.056 392 HA ASN 50 HA ASN 50 10.239 -7.145 -7.125 393 1HB ASN 50 HB1 ASN 50 8.531 -5.641 -8.326 394 2HB ASN 50 HB2 ASN 50 9.725 -4.351 -8.182 395 1HD2 ASN 50 HD22 ASN 50 9.491 -4.663 -10.718 396 2HD2 ASN 50 HD21 ASN 50 10.579 -5.757 -11.425 397 H GLU 51 HN GLU 51 10.683 -3.925 -5.675 398 HA GLU 51 HA GLU 51 13.569 -3.932 -6.367 399 1HB GLU 51 HB2 GLU 51 12.206 -1.872 -6.517 400 2HB GLU 51 HB1 GLU 51 11.782 -2.018 -4.812 401 1HG GLU 51 HG1 GLU 51 13.578 -0.452 -4.885 402 2HG GLU 51 HG2 GLU 51 14.303 -1.965 -4.343 403 H CYS 52 HN CYS 52 11.410 -4.436 -3.666 404 HA CYS 52 HA CYS 52 13.419 -4.477 -1.581 405 1HB CYS 52 HB2 CYS 52 10.671 -5.780 -1.769 406 2HB CYS 52 HB1 CYS 52 11.541 -5.393 -0.294 407 HG CYS 52 HG CYS 52 9.744 -3.495 -1.649 408 H HIS 53 HN HIS 53 11.930 -6.873 -3.731 409 HA HIS 53 HA HIS 53 13.173 -9.180 -2.472 410 1HB HIS 53 HB1 HIS 53 11.064 -9.202 -3.791 411 2HB HIS 53 HB2 HIS 53 11.975 -8.743 -5.228 412 HD1 HIS 53 HD1 HIS 53 11.884 -10.854 -6.605 413 HD2 HIS 53 HD2 HIS 53 13.039 -11.592 -2.668 414 HE1 HIS 53 HE1 HIS 53 12.566 -13.291 -6.504 415 H LYS 54 HN LYS 54 13.801 -7.414 -5.546 416 HA LYS 54 HA LYS 54 16.114 -8.899 -6.301 417 1HB LYS 54 HB2 LYS 54 14.613 -6.632 -7.132 418 2HB LYS 54 HB1 LYS 54 16.293 -6.119 -7.043 419 1HG LYS 54 HG2 LYS 54 15.768 -7.030 -9.279 420 2HG LYS 54 HG1 LYS 54 16.968 -8.021 -8.454 421 1HD LYS 54 HD2 LYS 54 15.275 -9.445 -9.521 422 2HD LYS 54 HD1 LYS 54 15.172 -9.600 -7.771 423 1HE LYS 54 HE1 LYS 54 12.970 -9.086 -7.975 424 2HE LYS 54 HE2 LYS 54 13.479 -7.446 -8.410 425 1HZ LYS 54 HZ1 LYS 54 13.775 -8.215 -10.705 426 2HZ LYS 54 HZ2 LYS 54 12.167 -8.402 -10.192 427 3HZ LYS 54 HZ3 LYS 54 13.196 -9.751 -10.268 428 H GLN 55 HN GLN 55 15.728 -6.098 -4.168 429 HA GLN 55 HA GLN 55 18.651 -5.871 -3.766 430 1HB GLN 55 HB1 GLN 55 16.251 -4.424 -2.582 431 2HB GLN 55 HB2 GLN 55 17.933 -3.928 -2.388 432 1HG GLN 55 HG2 GLN 55 16.682 -4.294 -5.115 433 2HG GLN 55 HG1 GLN 55 16.592 -2.761 -4.247 434 1HE2 GLN 55 HE21 GLN 55 18.750 -4.942 -5.978 435 2HE2 GLN 55 HE22 GLN 55 20.102 -3.915 -5.964 436 H GLY 56 HN GLY 56 15.916 -7.412 -2.283 437 1HA GLY 56 HA1 GLY 56 16.116 -9.072 -0.553 438 2HA GLY 56 HA2 GLY 56 17.677 -8.382 -0.107 439 H GLY 57 HN GLY 57 17.686 -6.418 1.163 440 1HA GLY 57 HA1 GLY 57 15.177 -6.079 2.734 441 2HA GLY 57 HA2 GLY 57 16.789 -5.623 3.286 442 H LEU 58 HN LEU 58 14.007 -4.225 2.497 443 HA LEU 58 HA LEU 58 15.313 -1.946 1.045 444 1HB LEU 58 HB1 LEU 58 13.044 -3.556 0.475 445 2HB LEU 58 HB2 LEU 58 12.418 -1.976 0.944 446 HG LEU 58 HG LEU 58 12.891 -2.172 -1.516 447 1HD1 LEU 58 HD11 LEU 58 12.855 0.033 -0.667 448 2HD1 LEU 58 HD12 LEU 58 14.365 -0.069 -1.573 449 3HD1 LEU 58 HD13 LEU 58 14.383 -0.183 0.187 450 1HD2 LEU 58 HD21 LEU 58 15.007 -2.583 -2.361 451 2HD2 LEU 58 HD22 LEU 58 15.054 -3.585 -0.910 452 3HD2 LEU 58 HD23 LEU 58 15.815 -1.994 -0.908 453 H ARG 59 HN ARG 59 15.736 -0.379 2.554 454 HA ARG 59 HA ARG 59 14.588 -0.070 5.105 455 1HB ARG 59 HB1 ARG 59 16.240 1.411 3.204 456 2HB ARG 59 HB2 ARG 59 15.244 2.497 4.173 457 1HG ARG 59 HG2 ARG 59 16.417 0.354 5.775 458 2HG ARG 59 HG1 ARG 59 17.646 1.332 4.973 459 1HD ARG 59 HD1 ARG 59 15.725 3.171 5.937 460 2HD ARG 59 HD2 ARG 59 16.009 2.021 7.257 461 HE ARG 59 HE ARG 59 18.469 2.836 5.914 462 1HH1 ARG 59 HH21 ARG 59 16.142 3.651 8.371 463 2HH1 ARG 59 HH22 ARG 59 17.267 4.602 9.276 464 1HH2 ARG 59 HH12 ARG 59 19.910 4.075 7.104 465 2HH2 ARG 59 HH11 ARG 59 19.386 4.842 8.567 466 H LEU 60 HN LEU 60 13.386 2.207 5.591 467 HA LEU 60 HA LEU 60 10.873 2.116 3.982 468 1HB LEU 60 HB2 LEU 60 10.779 1.683 6.420 469 2HB LEU 60 HB1 LEU 60 11.537 3.244 6.729 470 HG LEU 60 HG LEU 60 9.628 4.411 5.748 471 1HD1 LEU 60 HD11 LEU 60 9.074 1.746 4.688 472 2HD1 LEU 60 HD12 LEU 60 8.474 3.315 4.141 473 3HD1 LEU 60 HD13 LEU 60 7.652 2.462 5.449 474 1HD2 LEU 60 HD21 LEU 60 9.615 3.431 8.168 475 2HD2 LEU 60 HD22 LEU 60 8.412 2.308 7.532 476 3HD2 LEU 60 HD23 LEU 60 8.104 4.045 7.500 477 H ALA 61 HN ALA 61 13.407 4.328 5.141 478 HA ALA 61 HA ALA 61 12.169 6.776 4.267 479 1HB ALA 61 HB1 ALA 61 14.077 6.595 5.838 480 2HB ALA 61 HB2 ALA 61 14.509 7.613 4.464 481 3HB ALA 61 HB3 ALA 61 15.087 5.949 4.545 482 H GLN 62 HN GLN 62 14.705 4.768 2.701 483 HA GLN 62 HA GLN 62 14.901 6.170 0.258 484 1HB GLN 62 HB1 GLN 62 15.235 3.318 1.172 485 2HB GLN 62 HB2 GLN 62 15.410 3.699 -0.541 486 1HG GLN 62 HG1 GLN 62 17.602 3.888 0.363 487 2HG GLN 62 HG2 GLN 62 17.030 5.547 0.195 488 1HE2 GLN 62 HE22 GLN 62 16.361 6.681 2.191 489 2HE2 GLN 62 HE21 GLN 62 16.868 6.124 3.712 490 H ALA 63 HN ALA 63 12.483 3.871 1.382 491 HA ALA 63 HA ALA 63 11.186 3.378 -1.134 492 1HB ALA 63 HB1 ALA 63 9.269 2.867 0.575 493 2HB ALA 63 HB2 ALA 63 10.490 3.208 1.795 494 3HB ALA 63 HB3 ALA 63 10.739 1.898 0.649 495 H ARG 64 HN ARG 64 10.742 5.842 1.409 496 HA ARG 64 HA ARG 64 8.374 7.018 0.298 497 1HB ARG 64 HB1 ARG 64 10.531 7.794 2.226 498 2HB ARG 64 HB2 ARG 64 9.514 9.070 1.591 499 1HG ARG 64 HG1 ARG 64 8.456 8.300 3.597 500 2HG ARG 64 HG2 ARG 64 7.513 7.674 2.253 501 1HD ARG 64 HD1 ARG 64 7.710 5.741 3.509 502 2HD ARG 64 HD2 ARG 64 9.201 5.605 2.569 503 HE ARG 64 HE ARG 64 10.391 6.076 4.558 504 1HH1 ARG 64 HH12 ARG 64 7.116 7.221 4.790 505 2HH1 ARG 64 HH11 ARG 64 7.295 7.730 6.434 506 1HH2 ARG 64 HH21 ARG 64 10.602 6.741 6.689 507 2HH2 ARG 64 HH22 ARG 64 9.253 7.461 7.503 508 H ALA 65 HN ALA 65 11.799 7.398 -0.375 509 HA ALA 65 HA ALA 65 11.303 9.615 -2.277 510 1HB ALA 65 HB1 ALA 65 13.929 8.297 -2.256 511 2HB ALA 65 HB2 ALA 65 13.394 8.769 -0.643 512 3HB ALA 65 HB3 ALA 65 13.524 9.980 -1.918 513 H LEU 66 HN LEU 66 11.029 6.246 -2.342 514 HA LEU 66 HA LEU 66 12.038 5.911 -5.098 515 1HB LEU 66 HB1 LEU 66 12.264 4.312 -3.068 516 2HB LEU 66 HB2 LEU 66 10.588 3.881 -3.383 517 HG LEU 66 HG LEU 66 12.819 3.738 -5.434 518 1HD1 LEU 66 HD21 LEU 66 12.957 2.099 -3.489 519 2HD1 LEU 66 HD22 LEU 66 12.833 1.365 -5.088 520 3HD1 LEU 66 HD23 LEU 66 11.416 1.445 -4.042 521 1HD2 LEU 66 HD11 LEU 66 11.038 2.294 -6.593 522 2HD2 LEU 66 HD12 LEU 66 10.748 4.034 -6.568 523 3HD2 LEU 66 HD13 LEU 66 9.894 2.982 -5.441 524 H ILE 67 HN ILE 67 8.941 4.781 -3.635 525 HA ILE 67 HA ILE 67 7.608 5.360 -6.221 526 HB ILE 67 HB ILE 67 5.748 4.079 -5.134 527 1HG1 ILE 67 HG11 ILE 67 7.608 3.447 -2.866 528 2HG1 ILE 67 HG12 ILE 67 6.607 4.897 -2.783 529 1HG2 ILE 67 HG21 ILE 67 6.745 2.084 -5.634 530 2HG2 ILE 67 HG22 ILE 67 8.131 2.400 -4.590 531 3HG2 ILE 67 HG23 ILE 67 8.051 3.129 -6.194 532 1HD1 ILE 67 HD11 ILE 67 5.403 2.220 -3.497 533 2HD1 ILE 67 HD12 ILE 67 4.596 3.656 -2.868 534 3HD1 ILE 67 HD13 ILE 67 5.628 2.691 -1.812 535 H LYS 68 HN LYS 68 5.051 5.921 -5.428 536 HA LYS 68 HA LYS 68 3.697 7.772 -4.870 537 1HB LYS 68 HB2 LYS 68 5.636 7.646 -2.534 538 2HB LYS 68 HB1 LYS 68 4.090 8.491 -2.510 539 1HG LYS 68 HG2 LYS 68 4.281 5.563 -3.218 540 2HG LYS 68 HG1 LYS 68 4.105 6.107 -1.549 541 1HD LYS 68 HD1 LYS 68 1.872 5.981 -2.049 542 2HD LYS 68 HD2 LYS 68 2.162 7.584 -2.719 543 1HE LYS 68 HE1 LYS 68 2.898 5.989 -4.828 544 2HE LYS 68 HE2 LYS 68 1.562 5.059 -4.121 545 1HZ LYS 68 HZ1 LYS 68 1.571 7.868 -5.059 546 2HZ LYS 68 HZ2 LYS 68 0.421 7.332 -3.930 547 3HZ LYS 68 HZ3 LYS 68 0.495 6.621 -5.469 548 H ILE 69 HN ILE 69 4.468 10.131 -3.413 549 HA ILE 69 HA ILE 69 6.574 11.330 -5.162 550 HB ILE 69 HB ILE 69 4.817 13.328 -5.172 551 1HG1 ILE 69 HG12 ILE 69 2.491 12.509 -5.304 552 2HG1 ILE 69 HG11 ILE 69 3.033 10.898 -4.835 553 1HG2 ILE 69 HG21 ILE 69 5.581 12.300 -7.194 554 2HG2 ILE 69 HG22 ILE 69 3.819 12.310 -7.254 555 3HG2 ILE 69 HG23 ILE 69 4.678 10.824 -6.851 556 1HD1 ILE 69 HD11 ILE 69 2.159 12.750 -3.063 557 2HD1 ILE 69 HD12 ILE 69 3.883 13.108 -3.062 558 3HD1 ILE 69 HD13 ILE 69 3.319 11.488 -2.650 559 H ASP 70 HN ASP 70 5.534 10.896 -2.013 560 HA ASP 70 HA ASP 70 7.013 13.340 -1.146 561 1HB ASP 70 HB1 ASP 70 4.199 12.538 -0.720 562 2HB ASP 70 HB2 ASP 70 5.027 13.184 0.696 563 H VAL 71 HN VAL 71 5.265 11.315 1.113 564 HA VAL 71 HA VAL 71 7.504 9.582 1.760 565 HB VAL 71 HB VAL 71 7.281 11.064 4.163 566 1HG1 VAL 71 HG11 VAL 71 9.308 10.005 3.515 567 2HG1 VAL 71 HG12 VAL 71 9.651 11.730 3.582 568 3HG1 VAL 71 HG13 VAL 71 9.403 10.943 2.025 569 1HG2 VAL 71 HG21 VAL 71 8.007 13.014 1.999 570 2HG2 VAL 71 HG22 VAL 71 7.630 13.331 3.692 571 3HG2 VAL 71 HG23 VAL 71 6.339 12.889 2.569 572 H ASN 72 HN ASN 72 4.878 11.360 3.389 573 HA ASN 72 HA ASN 72 4.142 9.204 5.144 574 1HB ASN 72 HB2 ASN 72 2.528 11.505 3.974 575 2HB ASN 72 HB1 ASN 72 2.072 10.572 5.398 576 1HD2 ASN 72 HD22 ASN 72 2.702 11.529 7.335 577 2HD2 ASN 72 HD21 ASN 72 4.016 12.587 7.521 578 H LYS 73 HN LYS 73 3.543 9.902 1.816 579 HA LYS 73 HA LYS 73 1.212 8.296 1.331 580 1HB LYS 73 HB1 LYS 73 3.483 9.575 -0.151 581 2HB LYS 73 HB2 LYS 73 2.538 8.373 -1.019 582 1HG LYS 73 HG2 LYS 73 1.706 10.724 -1.308 583 2HG LYS 73 HG1 LYS 73 0.495 9.621 -0.664 584 1HD LYS 73 HD2 LYS 73 0.321 11.584 0.666 585 2HD LYS 73 HD1 LYS 73 1.223 10.457 1.664 586 1HE LYS 73 HE2 LYS 73 3.347 11.544 0.919 587 2HE LYS 73 HE1 LYS 73 2.402 12.687 -0.039 588 1HZ LYS 73 HZ1 LYS 73 1.798 13.818 1.777 589 2HZ LYS 73 HZ2 LYS 73 3.037 12.993 2.590 590 3HZ LYS 73 HZ3 LYS 73 1.442 12.418 2.668 591 H THR 74 HN THR 74 4.647 7.655 0.543 592 HA THR 74 HA THR 74 4.334 4.825 0.137 593 HB THR 74 HB THR 74 6.657 6.619 0.898 594 HG1 THR 74 HG1 THR 74 7.136 6.298 -1.345 595 1HG2 THR 74 HG21 THR 74 7.797 4.707 1.317 596 2HG2 THR 74 HG22 THR 74 7.698 4.400 -0.417 597 3HG2 THR 74 HG23 THR 74 6.495 3.707 0.672 598 H ARG 75 HN ARG 75 4.961 6.842 2.981 599 HA ARG 75 HA ARG 75 5.882 5.025 4.877 600 1HB ARG 75 HB1 ARG 75 5.209 7.535 5.020 601 2HB ARG 75 HB2 ARG 75 3.599 6.938 5.418 602 1HG ARG 75 HG2 ARG 75 5.841 5.698 6.915 603 2HG ARG 75 HG1 ARG 75 5.527 7.395 7.277 604 1HD ARG 75 HD1 ARG 75 3.030 5.918 7.108 605 2HD ARG 75 HD2 ARG 75 4.118 5.189 8.305 606 HE ARG 75 HE ARG 75 4.043 8.113 8.423 607 1HH1 ARG 75 HH21 ARG 75 2.576 5.144 9.496 608 2HH1 ARG 75 HH22 ARG 75 1.914 5.858 10.924 609 1HH2 ARG 75 HH12 ARG 75 3.174 9.018 10.284 610 2HH2 ARG 75 HH11 ARG 75 2.249 8.035 11.370 611 H LYS 76 HN LYS 76 2.413 5.641 4.146 612 HA LYS 76 HA LYS 76 1.442 3.474 5.740 613 1HB LYS 76 HB1 LYS 76 0.508 5.492 3.857 614 2HB LYS 76 HB2 LYS 76 -0.374 3.980 3.671 615 1HG LYS 76 HG1 LYS 76 -0.205 4.234 6.412 616 2HG LYS 76 HG2 LYS 76 -0.403 5.903 5.889 617 1HD LYS 76 HD1 LYS 76 -2.370 5.169 4.510 618 2HD LYS 76 HD2 LYS 76 -2.207 3.561 5.218 619 1HE LYS 76 HE2 LYS 76 -2.254 5.811 7.155 620 2HE LYS 76 HE1 LYS 76 -3.780 5.482 6.312 621 1HZ LYS 76 HZ1 LYS 76 -3.500 3.123 6.856 622 2HZ LYS 76 HZ2 LYS 76 -3.579 4.069 8.264 623 3HZ LYS 76 HZ3 LYS 76 -2.082 3.481 7.718 624 H ILE 77 HN ILE 77 1.853 3.713 2.158 625 HA ILE 77 HA ILE 77 1.091 1.076 1.503 626 HB ILE 77 HB ILE 77 3.248 2.892 0.355 627 1HG1 ILE 77 HG11 ILE 77 0.352 2.405 -0.412 628 2HG1 ILE 77 HG12 ILE 77 0.994 3.862 0.339 629 1HG2 ILE 77 HG21 ILE 77 3.485 0.466 -0.309 630 2HG2 ILE 77 HG22 ILE 77 3.157 1.552 -1.660 631 3HG2 ILE 77 HG23 ILE 77 1.862 0.555 -0.995 632 1HD1 ILE 77 HD11 ILE 77 2.502 4.155 -1.641 633 2HD1 ILE 77 HD12 ILE 77 0.789 4.260 -2.045 634 3HD1 ILE 77 HD13 ILE 77 1.691 2.788 -2.405 635 H TYR 78 HN TYR 78 4.489 2.135 1.785 636 HA TYR 78 HA TYR 78 5.674 -0.411 1.873 637 1HB TYR 78 HB2 TYR 78 6.368 2.339 2.222 638 2HB TYR 78 HB1 TYR 78 7.099 1.438 3.548 639 HD1 TYR 78 HD1 TYR 78 8.886 -0.122 3.168 640 HD2 TYR 78 HD2 TYR 78 6.836 1.691 -0.139 641 HE1 TYR 78 HE1 TYR 78 10.624 -0.981 1.621 642 HE2 TYR 78 HE2 TYR 78 8.573 0.831 -1.687 643 HH TYR 78 HH TYR 78 11.015 0.142 -1.496 644 H ASP 79 HN ASP 79 4.736 1.639 4.695 645 HA ASP 79 HA ASP 79 5.664 0.034 6.772 646 1HB ASP 79 HB1 ASP 79 4.571 2.192 7.091 647 2HB ASP 79 HB2 ASP 79 3.040 1.545 6.503 648 H PHE 80 HN PHE 80 2.766 -0.512 4.792 649 HA PHE 80 HA PHE 80 1.781 -2.741 6.373 650 1HB PHE 80 HB2 PHE 80 0.624 -1.180 4.625 651 2HB PHE 80 HB1 PHE 80 1.308 -2.274 3.423 652 HD1 PHE 80 HD1 PHE 80 0.202 -4.277 2.891 653 HD2 PHE 80 HD2 PHE 80 -0.721 -2.264 6.572 654 HE1 PHE 80 HE1 PHE 80 -1.633 -5.890 3.313 655 HE2 PHE 80 HE2 PHE 80 -2.557 -3.878 6.994 656 HZ PHE 80 HZ PHE 80 -3.012 -5.691 5.364 657 H LEU 81 HN LEU 81 3.635 -2.490 3.327 658 HA LEU 81 HA LEU 81 3.982 -5.306 2.912 659 1HB LEU 81 HB2 LEU 81 6.046 -3.232 2.150 660 2HB LEU 81 HB1 LEU 81 5.531 -4.643 1.239 661 HG LEU 81 HG LEU 81 4.112 -1.999 1.564 662 1HD1 LEU 81 HD21 LEU 81 4.264 -1.883 -0.770 663 2HD1 LEU 81 HD22 LEU 81 4.491 -3.625 -0.936 664 3HD1 LEU 81 HD23 LEU 81 5.797 -2.622 -0.307 665 1HD2 LEU 81 HD11 LEU 81 2.190 -3.215 1.809 666 2HD2 LEU 81 HD12 LEU 81 2.927 -4.692 1.189 667 3HD2 LEU 81 HD13 LEU 81 2.367 -3.449 0.071 668 H ILE 82 HN ILE 82 5.984 -2.916 4.614 669 HA ILE 82 HA ILE 82 8.217 -4.582 5.218 670 HB ILE 82 HB ILE 82 6.961 -2.224 6.669 671 1HG1 ILE 82 HG11 ILE 82 7.581 -1.912 4.227 672 2HG1 ILE 82 HG12 ILE 82 8.383 -0.819 5.349 673 1HG2 ILE 82 HG21 ILE 82 9.516 -3.721 7.046 674 2HG2 ILE 82 HG22 ILE 82 8.486 -2.937 8.244 675 3HG2 ILE 82 HG23 ILE 82 9.558 -1.968 7.233 676 1HD1 ILE 82 HD11 ILE 82 9.924 -3.249 5.047 677 2HD1 ILE 82 HD12 ILE 82 10.404 -1.581 4.729 678 3HD1 ILE 82 HD13 ILE 82 9.607 -2.524 3.471 679 H ARG 83 HN ARG 83 5.741 -3.470 7.527 680 HA ARG 83 HA ARG 83 6.402 -5.284 9.593 681 1HB ARG 83 HB1 ARG 83 3.978 -3.674 8.819 682 2HB ARG 83 HB2 ARG 83 3.999 -4.636 10.298 683 1HG ARG 83 HG1 ARG 83 5.133 -2.978 11.303 684 2HG ARG 83 HG2 ARG 83 6.474 -3.262 10.204 685 1HD ARG 83 HD2 ARG 83 5.804 -1.555 8.730 686 2HD ARG 83 HD1 ARG 83 4.124 -1.591 9.310 687 HE ARG 83 HE ARG 83 4.781 -0.174 11.089 688 1HH1 ARG 83 HH11 ARG 83 7.550 -1.732 9.664 689 2HH1 ARG 83 HH12 ARG 83 8.681 -0.841 10.622 690 1HH2 ARG 83 HH22 ARG 83 6.272 0.968 12.320 691 2HH2 ARG 83 HH21 ARG 83 7.967 0.675 12.113 692 H GLU 84 HN GLU 84 4.414 -5.787 6.734 693 HA GLU 84 HA GLU 84 3.219 -8.259 7.848 694 1HB GLU 84 HB1 GLU 84 3.068 -6.857 5.155 695 2HB GLU 84 HB2 GLU 84 2.121 -8.279 5.587 696 1HG GLU 84 HG1 GLU 84 2.076 -5.754 7.251 697 2HG GLU 84 HG2 GLU 84 0.967 -6.009 5.903 698 H GLY 85 HN GLY 85 3.249 -10.022 5.801 699 1HA GLY 85 HA1 GLY 85 6.098 -10.790 5.664 700 2HA GLY 85 HA2 GLY 85 4.729 -11.816 5.237 701 H TYR 86 HN TYR 86 6.047 -8.664 4.132 702 HA TYR 86 HA TYR 86 5.784 -9.698 1.327 703 1HB TYR 86 HB1 TYR 86 5.028 -7.108 2.662 704 2HB TYR 86 HB2 TYR 86 5.437 -7.103 0.946 705 HD1 TYR 86 HD1 TYR 86 3.824 -7.710 -0.648 706 HD2 TYR 86 HD2 TYR 86 3.298 -8.889 3.449 707 HE1 TYR 86 HE1 TYR 86 1.570 -8.592 -1.191 708 HE2 TYR 86 HE2 TYR 86 1.045 -9.771 2.906 709 HH TYR 86 HH TYR 86 -0.005 -10.667 0.330 710 H ILE 87 HN ILE 87 7.180 -6.702 2.671 711 HA ILE 87 HA ILE 87 9.795 -7.505 1.438 712 HB ILE 87 HB ILE 87 10.101 -5.095 1.051 713 1HG1 ILE 87 HG12 ILE 87 7.389 -4.771 2.371 714 2HG1 ILE 87 HG11 ILE 87 8.927 -4.338 3.117 715 1HG2 ILE 87 HG21 ILE 87 7.392 -5.099 0.066 716 2HG2 ILE 87 HG22 ILE 87 8.086 -6.711 -0.115 717 3HG2 ILE 87 HG23 ILE 87 8.893 -5.318 -0.835 718 1HD1 ILE 87 HD11 ILE 87 7.762 -3.169 0.569 719 2HD1 ILE 87 HD12 ILE 87 9.370 -2.798 1.194 720 3HD1 ILE 87 HD13 ILE 87 7.938 -2.343 2.118 721 H THR 88 HN THR 88 11.690 -6.303 2.570 722 HA THR 88 HA THR 88 11.205 -6.284 5.532 723 HB THR 88 HB THR 88 13.671 -7.100 5.506 724 HG1 THR 88 HG1 THR 88 14.439 -7.789 3.617 725 1HG2 THR 88 HG21 THR 88 12.729 -9.440 4.553 726 2HG2 THR 88 HG22 THR 88 11.201 -8.583 4.754 727 3HG2 THR 88 HG23 THR 88 12.273 -8.811 6.136 728 H LYS 89 HN LYS 89 13.093 -5.084 6.674 729 HA LYS 89 HA LYS 89 13.601 -2.530 5.196 730 1HB LYS 89 HB2 LYS 89 12.251 -2.769 7.415 731 2HB LYS 89 HB1 LYS 89 13.824 -3.019 8.174 732 1HG LYS 89 HG1 LYS 89 14.574 -0.856 7.071 733 2HG LYS 89 HG2 LYS 89 12.889 -0.588 6.627 734 1HD LYS 89 HD2 LYS 89 12.801 -1.268 9.342 735 2HD LYS 89 HD1 LYS 89 14.198 -0.202 9.199 736 1HE LYS 89 HE1 LYS 89 12.476 1.202 7.683 737 2HE LYS 89 HE2 LYS 89 11.307 0.394 8.744 738 1HZ LYS 89 HZ1 LYS 89 12.385 1.209 10.650 739 2HZ LYS 89 HZ2 LYS 89 12.328 2.544 9.602 740 3HZ LYS 89 HZ3 LYS 89 13.773 1.671 9.786 741 H ALA 90 HN ALA 90 15.733 -1.651 5.230 742 HA ALA 90 HA ALA 90 17.906 -2.973 6.670 743 1HB ALA 90 HB1 ALA 90 18.243 -4.553 5.073 744 2HB ALA 90 HB2 ALA 90 18.754 -3.246 4.005 745 3HB ALA 90 HB3 ALA 90 17.076 -3.789 3.994 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -6.804 -13.981 -3.448 2 2H GLY 1 HT2 GLY 1 -6.356 -15.616 -3.346 3 3H GLY 1 HT3 GLY 1 -7.644 -15.028 -2.408 4 1HA GLY 1 HA1 GLY 1 -7.760 -14.838 -5.344 5 2HA GLY 1 HA2 GLY 1 -8.168 -16.353 -4.537 6 H SER 2 HN SER 2 -9.950 -16.326 -2.998 7 HA SER 2 HA SER 2 -12.164 -14.661 -3.838 8 1HB SER 2 HB2 SER 2 -11.816 -17.082 -2.624 9 2HB SER 2 HB1 SER 2 -12.241 -16.088 -1.230 10 HG SER 2 HG SER 2 -14.071 -16.990 -2.300 11 H ASN 3 HN ASN 3 -12.454 -12.566 -3.192 12 HA ASN 3 HA ASN 3 -11.656 -11.822 -0.403 13 1HB ASN 3 HB2 ASN 3 -10.291 -11.145 -2.701 14 2HB ASN 3 HB1 ASN 3 -11.363 -9.759 -2.500 15 1HD2 ASN 3 HD21 ASN 3 -8.364 -10.986 -1.548 16 2HD2 ASN 3 HD22 ASN 3 -8.138 -10.053 -0.148 17 H SER 4 HN SER 4 -13.474 -11.103 0.620 18 HA SER 4 HA SER 4 -15.799 -10.161 -0.931 19 1HB SER 4 HB1 SER 4 -15.370 -11.571 1.414 20 2HB SER 4 HB2 SER 4 -15.819 -9.973 2.012 21 HG SER 4 HG SER 4 -17.738 -10.856 1.687 22 H GLY 5 HN GLY 5 -16.876 -8.085 -0.247 23 1HA GLY 5 HA1 GLY 5 -14.947 -6.060 0.790 24 2HA GLY 5 HA2 GLY 5 -15.827 -5.744 -0.706 25 H ARG 6 HN ARG 6 -15.881 -4.617 2.209 26 HA ARG 6 HA ARG 6 -18.872 -4.640 2.422 27 1HB ARG 6 HB2 ARG 6 -16.774 -5.479 4.275 28 2HB ARG 6 HB1 ARG 6 -17.809 -4.243 4.990 29 1HG ARG 6 HG1 ARG 6 -19.677 -5.829 3.799 30 2HG ARG 6 HG2 ARG 6 -18.452 -7.028 4.214 31 1HD ARG 6 HD2 ARG 6 -18.969 -5.090 6.374 32 2HD ARG 6 HD1 ARG 6 -20.368 -6.101 5.964 33 HE ARG 6 HE ARG 6 -18.033 -7.748 6.012 34 1HH1 ARG 6 HH11 ARG 6 -20.096 -5.935 8.151 35 2HH1 ARG 6 HH12 ARG 6 -19.781 -6.964 9.505 36 1HH2 ARG 6 HH22 ARG 6 -17.640 -9.070 7.784 37 2HH2 ARG 6 HH21 ARG 6 -18.401 -8.726 9.301 38 H ARG 7 HN ARG 7 -19.704 -2.669 3.555 39 HA ARG 7 HA ARG 7 -17.847 -0.330 3.259 40 1HB ARG 7 HB1 ARG 7 -19.665 -0.741 1.480 41 2HB ARG 7 HB2 ARG 7 -20.835 -0.352 2.742 42 1HG ARG 7 HG1 ARG 7 -19.819 1.848 3.055 43 2HG ARG 7 HG2 ARG 7 -18.558 1.461 1.885 44 1HD ARG 7 HD1 ARG 7 -20.042 2.602 0.497 45 2HD ARG 7 HD2 ARG 7 -20.700 0.963 0.335 46 HE ARG 7 HE ARG 7 -22.550 1.641 1.651 47 1HH1 ARG 7 HH22 ARG 7 -19.904 3.878 1.983 48 2HH1 ARG 7 HH21 ARG 7 -20.826 5.000 2.922 49 1HH2 ARG 7 HH11 ARG 7 -23.726 3.113 2.870 50 2HH2 ARG 7 HH12 ARG 7 -22.974 4.573 3.421 51 H SER 8 HN SER 8 -17.864 1.108 4.978 52 HA SER 8 HA SER 8 -20.096 1.133 6.906 53 1HB SER 8 HB1 SER 8 -17.433 -0.170 7.321 54 2HB SER 8 HB2 SER 8 -18.127 0.703 8.687 55 HG SER 8 HG SER 8 -18.819 -1.445 8.691 56 H ALA 9 HN ALA 9 -16.685 1.949 7.467 57 HA ALA 9 HA ALA 9 -17.296 4.620 8.351 58 1HB ALA 9 HB1 ALA 9 -14.581 3.953 7.334 59 2HB ALA 9 HB2 ALA 9 -15.228 2.860 8.557 60 3HB ALA 9 HB3 ALA 9 -15.063 4.580 8.910 61 HA PRO 10 HA PRO 10 -17.323 6.802 4.540 62 1HB PRO 10 HB1 PRO 10 -16.197 9.198 5.263 63 2HB PRO 10 HB2 PRO 10 -17.832 8.708 5.734 64 1HG PRO 10 HG2 PRO 10 -15.325 8.669 7.318 65 2HG PRO 10 HG1 PRO 10 -16.970 9.056 7.824 66 1HD PRO 10 HD1 PRO 10 -15.720 6.668 8.290 67 2HD PRO 10 HD2 PRO 10 -17.473 6.878 8.214 68 HA PRO 11 HA PRO 11 -13.050 6.074 3.302 69 1HB PRO 11 HB2 PRO 11 -13.543 5.214 0.805 70 2HB PRO 11 HB1 PRO 11 -13.938 4.200 2.209 71 1HG PRO 11 HG2 PRO 11 -15.703 5.933 0.559 72 2HG PRO 11 HG1 PRO 11 -16.009 4.303 1.172 73 1HD PRO 11 HD1 PRO 11 -16.950 6.631 2.324 74 2HD PRO 11 HD2 PRO 11 -16.734 5.100 3.196 75 H LEU 12 HN LEU 12 -12.190 6.611 0.730 76 HA LEU 12 HA LEU 12 -12.870 9.506 0.340 77 1HB LEU 12 HB2 LEU 12 -10.353 8.008 0.715 78 2HB LEU 12 HB1 LEU 12 -10.314 9.151 -0.628 79 HG LEU 12 HG LEU 12 -11.579 10.569 1.407 80 1HD1 LEU 12 HD21 LEU 12 -10.446 8.460 2.715 81 2HD1 LEU 12 HD22 LEU 12 -10.673 10.053 3.437 82 3HD1 LEU 12 HD23 LEU 12 -9.114 9.615 2.738 83 1HD2 LEU 12 HD11 LEU 12 -8.831 11.195 1.517 84 2HD2 LEU 12 HD12 LEU 12 -10.056 11.970 0.512 85 3HD2 LEU 12 HD13 LEU 12 -9.122 10.616 -0.124 86 H ASN 13 HN ASN 13 -10.796 7.399 -1.570 87 HA ASN 13 HA ASN 13 -12.659 7.744 -3.887 88 1HB ASN 13 HB1 ASN 13 -9.766 7.982 -3.448 89 2HB ASN 13 HB2 ASN 13 -10.156 6.961 -4.832 90 1HD2 ASN 13 HD21 ASN 13 -11.971 8.006 -6.313 91 2HD2 ASN 13 HD22 ASN 13 -11.816 9.672 -6.598 92 H LEU 14 HN LEU 14 -11.095 5.488 -1.786 93 HA LEU 14 HA LEU 14 -11.345 3.165 -3.555 94 1HB LEU 14 HB1 LEU 14 -9.679 3.699 -1.614 95 2HB LEU 14 HB2 LEU 14 -10.991 3.180 -0.555 96 HG LEU 14 HG LEU 14 -10.970 1.166 -2.410 97 1HD1 LEU 14 HD11 LEU 14 -8.066 1.825 -1.874 98 2HD1 LEU 14 HD12 LEU 14 -8.880 2.260 -3.378 99 3HD1 LEU 14 HD13 LEU 14 -8.708 0.563 -2.925 100 1HD2 LEU 14 HD21 LEU 14 -10.826 1.258 0.213 101 2HD2 LEU 14 HD22 LEU 14 -9.097 1.045 -0.061 102 3HD2 LEU 14 HD23 LEU 14 -10.237 -0.172 -0.636 103 H THR 15 HN THR 15 -13.685 3.334 -4.001 104 HA THR 15 HA THR 15 -15.289 1.795 -2.110 105 HB THR 15 HB THR 15 -15.399 3.955 -1.013 106 HG1 THR 15 HG1 THR 15 -17.389 3.092 -1.005 107 1HG2 THR 15 HG21 THR 15 -16.018 6.000 -2.189 108 2HG2 THR 15 HG22 THR 15 -16.236 5.105 -3.693 109 3HG2 THR 15 HG23 THR 15 -14.626 5.271 -2.991 110 H GLY 16 HN GLY 16 -15.270 3.958 -4.935 111 1HA GLY 16 HA2 GLY 16 -17.434 2.306 -6.154 112 2HA GLY 16 HA1 GLY 16 -16.971 3.921 -6.696 113 H LEU 17 HN LEU 17 -14.536 1.576 -5.840 114 HA LEU 17 HA LEU 17 -13.811 1.339 -8.742 115 1HB LEU 17 HB1 LEU 17 -12.051 1.307 -6.262 116 2HB LEU 17 HB2 LEU 17 -11.491 1.340 -7.929 117 HG LEU 17 HG LEU 17 -13.209 3.499 -6.681 118 1HD1 LEU 17 HD21 LEU 17 -10.842 3.236 -5.739 119 2HD1 LEU 17 HD22 LEU 17 -11.232 4.812 -6.428 120 3HD1 LEU 17 HD23 LEU 17 -10.263 3.662 -7.350 121 1HD2 LEU 17 HD11 LEU 17 -13.473 4.143 -8.823 122 2HD2 LEU 17 HD12 LEU 17 -12.412 2.849 -9.381 123 3HD2 LEU 17 HD13 LEU 17 -11.732 4.407 -8.911 124 HA PRO 18 HA PRO 18 -13.751 -3.007 -8.088 125 1HB PRO 18 HB1 PRO 18 -11.689 -3.845 -9.689 126 2HB PRO 18 HB2 PRO 18 -13.188 -3.154 -10.332 127 1HG PRO 18 HG2 PRO 18 -10.499 -1.986 -10.176 128 2HG PRO 18 HG1 PRO 18 -11.851 -1.568 -11.234 129 1HD PRO 18 HD1 PRO 18 -10.979 -0.230 -8.869 130 2HD PRO 18 HD2 PRO 18 -12.361 0.181 -9.904 131 H GLY 19 HN GLY 19 -10.243 -2.250 -8.209 132 1HA GLY 19 HA1 GLY 19 -9.351 -4.384 -6.641 133 2HA GLY 19 HA2 GLY 19 -8.512 -2.839 -6.736 134 H THR 20 HN THR 20 -11.049 -1.532 -5.590 135 HA THR 20 HA THR 20 -10.298 -1.155 -2.947 136 HB THR 20 HB THR 20 -13.082 -1.348 -4.149 137 HG1 THR 20 HG1 THR 20 -12.675 1.013 -4.167 138 1HG2 THR 20 HG21 THR 20 -13.427 -1.276 -1.812 139 2HG2 THR 20 HG22 THR 20 -13.516 0.417 -2.299 140 3HG2 THR 20 HG23 THR 20 -12.046 -0.211 -1.554 141 H GLU 21 HN GLU 21 -12.638 -3.631 -4.079 142 HA GLU 21 HA GLU 21 -12.982 -4.815 -1.464 143 1HB GLU 21 HB1 GLU 21 -14.637 -4.980 -3.261 144 2HB GLU 21 HB2 GLU 21 -13.469 -5.797 -4.296 145 1HG GLU 21 HG1 GLU 21 -13.418 -7.723 -2.847 146 2HG GLU 21 HG2 GLU 21 -14.364 -6.887 -1.615 147 H LYS 22 HN LYS 22 -10.684 -5.294 -4.082 148 HA LYS 22 HA LYS 22 -9.741 -7.902 -3.289 149 1HB LYS 22 HB1 LYS 22 -8.638 -5.579 -4.891 150 2HB LYS 22 HB2 LYS 22 -7.730 -7.076 -4.685 151 1HG LYS 22 HG1 LYS 22 -9.930 -8.234 -5.477 152 2HG LYS 22 HG2 LYS 22 -10.350 -6.639 -6.099 153 1HD LYS 22 HD2 LYS 22 -9.180 -7.279 -7.941 154 2HD LYS 22 HD1 LYS 22 -7.758 -6.911 -6.966 155 1HE LYS 22 HE1 LYS 22 -7.162 -9.090 -7.246 156 2HE LYS 22 HE2 LYS 22 -8.513 -9.502 -6.173 157 1HZ LYS 22 HZ1 LYS 22 -8.790 -8.997 -9.091 158 2HZ LYS 22 HZ2 LYS 22 -9.991 -9.568 -8.035 159 3HZ LYS 22 HZ3 LYS 22 -8.657 -10.549 -8.413 160 H LEU 23 HN LEU 23 -9.184 -4.685 -2.072 161 HA LEU 23 HA LEU 23 -6.630 -5.224 -0.789 162 1HB LEU 23 HB2 LEU 23 -8.814 -3.165 -0.287 163 2HB LEU 23 HB1 LEU 23 -7.170 -3.068 0.343 164 HG LEU 23 HG LEU 23 -7.934 -3.138 -2.591 165 1HD1 LEU 23 HD21 LEU 23 -6.881 -0.798 -2.467 166 2HD1 LEU 23 HD22 LEU 23 -7.056 -0.936 -0.718 167 3HD1 LEU 23 HD23 LEU 23 -8.484 -0.980 -1.753 168 1HD2 LEU 23 HD11 LEU 23 -5.384 -3.432 -1.114 169 2HD2 LEU 23 HD12 LEU 23 -5.344 -2.318 -2.480 170 3HD2 LEU 23 HD13 LEU 23 -5.823 -3.998 -2.725 171 H ASN 24 HN ASN 24 -6.380 -6.518 0.986 172 HA ASN 24 HA ASN 24 -8.403 -7.840 2.408 173 1HB ASN 24 HB2 ASN 24 -5.617 -6.905 3.167 174 2HB ASN 24 HB1 ASN 24 -6.560 -7.999 4.180 175 1HD2 ASN 24 HD22 ASN 24 -4.395 -9.287 3.437 176 2HD2 ASN 24 HD21 ASN 24 -4.617 -10.286 2.083 177 H GLU 25 HN GLU 25 -8.899 -7.478 4.819 178 HA GLU 25 HA GLU 25 -10.313 -5.094 5.268 179 1HB GLU 25 HB1 GLU 25 -9.337 -7.422 6.755 180 2HB GLU 25 HB2 GLU 25 -9.463 -5.990 7.777 181 1HG GLU 25 HG1 GLU 25 -11.626 -6.861 7.926 182 2HG GLU 25 HG2 GLU 25 -11.801 -5.709 6.601 183 H LYS 26 HN LYS 26 -6.891 -5.779 5.777 184 HA LYS 26 HA LYS 26 -6.401 -3.313 7.293 185 1HB LYS 26 HB1 LYS 26 -4.987 -5.739 6.377 186 2HB LYS 26 HB2 LYS 26 -3.976 -4.294 6.389 187 1HG LYS 26 HG1 LYS 26 -4.105 -4.055 8.678 188 2HG LYS 26 HG2 LYS 26 -5.719 -4.762 8.764 189 1HD LYS 26 HD1 LYS 26 -4.881 -6.973 8.606 190 2HD LYS 26 HD2 LYS 26 -3.311 -6.424 8.019 191 1HE LYS 26 HE2 LYS 26 -2.536 -6.265 10.143 192 2HE LYS 26 HE1 LYS 26 -3.893 -5.215 10.593 193 1HZ LYS 26 HZ1 LYS 26 -5.276 -7.316 10.562 194 2HZ LYS 26 HZ2 LYS 26 -4.170 -7.182 11.843 195 3HZ LYS 26 HZ3 LYS 26 -3.815 -8.181 10.517 196 H GLU 27 HN GLU 27 -5.653 -4.511 3.999 197 HA GLU 27 HA GLU 27 -4.357 -2.155 3.051 198 1HB GLU 27 HB2 GLU 27 -5.895 -4.447 1.827 199 2HB GLU 27 HB1 GLU 27 -5.262 -3.152 0.810 200 1HG GLU 27 HG1 GLU 27 -3.067 -3.745 1.182 201 2HG GLU 27 HG2 GLU 27 -3.397 -4.349 2.806 202 H LYS 28 HN LYS 28 -7.784 -3.046 3.252 203 HA LYS 28 HA LYS 28 -8.972 -1.083 1.626 204 1HB LYS 28 HB2 LYS 28 -9.648 -2.863 3.805 205 2HB LYS 28 HB1 LYS 28 -10.486 -1.326 4.016 206 1HG LYS 28 HG1 LYS 28 -11.781 -1.630 2.157 207 2HG LYS 28 HG2 LYS 28 -10.478 -2.404 1.254 208 1HD LYS 28 HD2 LYS 28 -10.870 -4.318 3.083 209 2HD LYS 28 HD1 LYS 28 -12.487 -3.613 3.102 210 1HE LYS 28 HE2 LYS 28 -12.914 -4.209 0.887 211 2HE LYS 28 HE1 LYS 28 -11.195 -4.204 0.451 212 1HZ LYS 28 HZ1 LYS 28 -11.912 -6.471 0.675 213 2HZ LYS 28 HZ2 LYS 28 -12.595 -6.163 2.199 214 3HZ LYS 28 HZ3 LYS 28 -10.910 -6.106 1.997 215 H GLU 29 HN GLU 29 -8.598 -0.770 5.181 216 HA GLU 29 HA GLU 29 -9.075 2.039 5.283 217 1HB GLU 29 HB1 GLU 29 -9.179 0.555 7.224 218 2HB GLU 29 HB2 GLU 29 -7.476 0.136 7.039 219 1HG GLU 29 HG1 GLU 29 -6.833 2.458 7.507 220 2HG GLU 29 HG2 GLU 29 -8.530 2.922 7.623 221 H LEU 30 HN LEU 30 -6.215 0.175 4.495 222 HA LEU 30 HA LEU 30 -4.146 2.046 4.932 223 1HB LEU 30 HB2 LEU 30 -4.355 -0.451 3.972 224 2HB LEU 30 HB1 LEU 30 -4.216 0.393 2.430 225 HG LEU 30 HG LEU 30 -2.298 0.939 4.698 226 1HD1 LEU 30 HD21 LEU 30 -2.362 -1.346 2.755 227 2HD1 LEU 30 HD22 LEU 30 -1.881 -1.338 4.451 228 3HD1 LEU 30 HD23 LEU 30 -0.807 -0.663 3.226 229 1HD2 LEU 30 HD11 LEU 30 -2.623 1.710 1.882 230 2HD2 LEU 30 HD12 LEU 30 -0.996 1.149 2.271 231 3HD2 LEU 30 HD13 LEU 30 -1.702 2.498 3.163 232 H CYS 31 HN CYS 31 -6.281 1.671 2.085 233 HA CYS 31 HA CYS 31 -5.098 3.958 0.700 234 1HB CYS 31 HB1 CYS 31 -7.077 1.833 0.283 235 2HB CYS 31 HB2 CYS 31 -7.587 3.368 -0.419 236 HG CYS 31 HG CYS 31 -5.922 1.829 -1.997 237 H GLN 32 HN GLN 32 -8.058 3.341 2.592 238 HA GLN 32 HA GLN 32 -9.404 5.794 2.190 239 1HB GLN 32 HB1 GLN 32 -9.125 4.015 4.641 240 2HB GLN 32 HB2 GLN 32 -10.371 5.248 4.447 241 1HG GLN 32 HG2 GLN 32 -11.163 4.099 2.393 242 2HG GLN 32 HG1 GLN 32 -9.943 2.849 2.636 243 1HE2 GLN 32 HE22 GLN 32 -11.826 1.308 2.840 244 2HE2 GLN 32 HE21 GLN 32 -12.652 1.207 4.320 245 H VAL 33 HN VAL 33 -6.515 5.075 4.008 246 HA VAL 33 HA VAL 33 -6.528 7.648 5.468 247 HB VAL 33 HB VAL 33 -4.593 5.318 5.173 248 1HG1 VAL 33 HG11 VAL 33 -4.400 7.685 7.061 249 2HG1 VAL 33 HG12 VAL 33 -3.410 7.477 5.616 250 3HG1 VAL 33 HG13 VAL 33 -3.270 6.334 6.951 251 1HG2 VAL 33 HG21 VAL 33 -5.804 4.385 6.824 252 2HG2 VAL 33 HG22 VAL 33 -6.924 5.745 6.752 253 3HG2 VAL 33 HG23 VAL 33 -5.536 5.802 7.839 254 H VAL 34 HN VAL 34 -4.314 6.000 3.196 255 HA VAL 34 HA VAL 34 -3.257 8.611 2.284 256 HB VAL 34 HB VAL 34 -1.765 6.705 2.800 257 1HG1 VAL 34 HG11 VAL 34 -2.381 4.613 2.260 258 2HG1 VAL 34 HG12 VAL 34 -2.275 5.024 0.548 259 3HG1 VAL 34 HG13 VAL 34 -3.794 5.247 1.417 260 1HG2 VAL 34 HG21 VAL 34 -0.518 6.656 0.665 261 2HG2 VAL 34 HG22 VAL 34 -1.078 8.286 1.042 262 3HG2 VAL 34 HG23 VAL 34 -1.925 7.318 -0.166 263 H ARG 35 HN ARG 35 -5.374 9.205 1.326 264 HA ARG 35 HA ARG 35 -7.046 8.108 -0.455 265 1HB ARG 35 HB1 ARG 35 -7.084 10.336 -1.604 266 2HB ARG 35 HB2 ARG 35 -7.054 10.462 0.156 267 1HG ARG 35 HG1 ARG 35 -5.166 11.674 0.011 268 2HG ARG 35 HG2 ARG 35 -4.369 10.273 -0.704 269 1HD ARG 35 HD1 ARG 35 -4.192 11.449 -2.639 270 2HD ARG 35 HD2 ARG 35 -5.961 11.423 -2.760 271 HE ARG 35 HE ARG 35 -5.951 13.668 -2.030 272 1HH1 ARG 35 HH12 ARG 35 -3.032 12.054 -1.033 273 2HH1 ARG 35 HH11 ARG 35 -2.350 13.483 -0.336 274 1HH2 ARG 35 HH21 ARG 35 -5.045 15.508 -1.119 275 2HH2 ARG 35 HH22 ARG 35 -3.479 15.425 -0.383 276 H LEU 36 HN LEU 36 -6.174 6.365 -1.673 277 HA LEU 36 HA LEU 36 -4.584 7.210 -4.072 278 1HB LEU 36 HB2 LEU 36 -4.202 4.972 -2.082 279 2HB LEU 36 HB1 LEU 36 -3.616 4.778 -3.733 280 HG LEU 36 HG LEU 36 -2.886 7.072 -1.886 281 1HD1 LEU 36 HD21 LEU 36 -0.751 5.298 -2.790 282 2HD1 LEU 36 HD22 LEU 36 -1.965 4.437 -1.846 283 3HD1 LEU 36 HD23 LEU 36 -1.139 5.833 -1.157 284 1HD2 LEU 36 HD11 LEU 36 -2.663 6.664 -4.742 285 2HD2 LEU 36 HD12 LEU 36 -1.060 6.780 -4.016 286 3HD2 LEU 36 HD13 LEU 36 -2.227 8.083 -3.789 287 H VAL 37 HN VAL 37 -4.591 4.883 -5.472 288 HA VAL 37 HA VAL 37 -7.497 4.280 -5.846 289 HB VAL 37 HB VAL 37 -5.062 4.430 -7.639 290 1HG1 VAL 37 HG11 VAL 37 -6.153 3.401 -9.426 291 2HG1 VAL 37 HG12 VAL 37 -7.748 3.619 -8.707 292 3HG1 VAL 37 HG13 VAL 37 -6.659 2.385 -8.083 293 1HG2 VAL 37 HG21 VAL 37 -7.567 5.963 -7.212 294 2HG2 VAL 37 HG22 VAL 37 -7.010 5.813 -8.878 295 3HG2 VAL 37 HG23 VAL 37 -5.959 6.533 -7.659 296 HA PRO 38 HA PRO 38 -6.644 0.124 -4.673 297 1HB PRO 38 HB1 PRO 38 -8.516 -0.901 -6.693 298 2HB PRO 38 HB2 PRO 38 -8.678 -0.888 -4.930 299 1HG PRO 38 HG2 PRO 38 -10.159 0.667 -6.584 300 2HG PRO 38 HG1 PRO 38 -9.759 1.114 -4.920 301 1HD PRO 38 HD1 PRO 38 -8.587 2.086 -7.480 302 2HD PRO 38 HD2 PRO 38 -8.886 2.963 -5.965 303 H GLY 39 HN GLY 39 -7.424 -0.131 -8.161 304 1HA GLY 39 HA1 GLY 39 -5.562 -2.141 -8.778 305 2HA GLY 39 HA2 GLY 39 -6.140 -0.958 -9.948 306 H ALA 40 HN ALA 40 -5.081 1.341 -8.486 307 HA ALA 40 HA ALA 40 -2.399 1.393 -9.563 308 1HB ALA 40 HB1 ALA 40 -2.436 3.635 -8.778 309 2HB ALA 40 HB2 ALA 40 -3.534 3.239 -7.456 310 3HB ALA 40 HB3 ALA 40 -4.130 3.281 -9.116 311 H TYR 41 HN TYR 41 -3.673 1.381 -6.216 312 HA TYR 41 HA TYR 41 -1.222 1.194 -4.812 313 1HB TYR 41 HB2 TYR 41 -3.406 1.574 -3.775 314 2HB TYR 41 HB1 TYR 41 -3.972 -0.007 -4.309 315 HD1 TYR 41 HD1 TYR 41 -2.865 -2.089 -3.401 316 HD2 TYR 41 HD2 TYR 41 -2.128 1.818 -1.775 317 HE1 TYR 41 HE1 TYR 41 -1.955 -3.119 -1.338 318 HE2 TYR 41 HE2 TYR 41 -1.217 0.787 0.289 319 HH TYR 41 HH TYR 41 -0.432 -2.521 0.498 320 H LEU 42 HN LEU 42 -3.323 -1.416 -6.064 321 HA LEU 42 HA LEU 42 -1.798 -3.658 -5.266 322 1HB LEU 42 HB1 LEU 42 -3.634 -2.952 -7.549 323 2HB LEU 42 HB2 LEU 42 -2.850 -4.532 -7.528 324 HG LEU 42 HG LEU 42 -3.922 -3.905 -4.912 325 1HD1 LEU 42 HD21 LEU 42 -5.480 -2.827 -6.964 326 2HD1 LEU 42 HD22 LEU 42 -6.028 -3.204 -5.332 327 3HD1 LEU 42 HD23 LEU 42 -6.233 -4.384 -6.626 328 1HD2 LEU 42 HD11 LEU 42 -3.364 -6.151 -5.626 329 2HD2 LEU 42 HD12 LEU 42 -4.469 -6.035 -6.996 330 3HD2 LEU 42 HD13 LEU 42 -5.105 -6.078 -5.352 331 H GLU 43 HN GLU 43 -1.375 -1.424 -7.976 332 HA GLU 43 HA GLU 43 0.708 -2.953 -9.305 333 1HB GLU 43 HB2 GLU 43 -0.785 -0.474 -9.573 334 2HB GLU 43 HB1 GLU 43 0.925 -0.195 -9.902 335 1HG GLU 43 HG2 GLU 43 0.890 -2.137 -11.478 336 2HG GLU 43 HG1 GLU 43 -0.847 -2.280 -11.211 337 H TYR 44 HN TYR 44 0.885 0.170 -7.555 338 HA TYR 44 HA TYR 44 3.657 0.384 -7.263 339 1HB TYR 44 HB1 TYR 44 1.306 1.107 -5.490 340 2HB TYR 44 HB2 TYR 44 2.948 1.622 -5.106 341 HD1 TYR 44 HD1 TYR 44 4.269 2.669 -7.190 342 HD2 TYR 44 HD2 TYR 44 -0.005 2.524 -6.794 343 HE1 TYR 44 HE1 TYR 44 4.056 4.536 -8.807 344 HE2 TYR 44 HE2 TYR 44 -0.218 4.391 -8.413 345 HH TYR 44 HH TYR 44 1.510 5.253 -10.458 346 H LYS 45 HN LYS 45 1.423 -1.086 -4.873 347 HA LYS 45 HA LYS 45 3.268 -2.047 -3.012 348 1HB LYS 45 HB2 LYS 45 0.593 -2.179 -3.410 349 2HB LYS 45 HB1 LYS 45 1.023 -3.838 -3.824 350 1HG LYS 45 HG2 LYS 45 2.495 -3.480 -1.557 351 2HG LYS 45 HG1 LYS 45 1.098 -2.463 -1.204 352 1HD LYS 45 HD1 LYS 45 -0.420 -4.296 -1.522 353 2HD LYS 45 HD2 LYS 45 0.850 -5.311 -2.203 354 1HE LYS 45 HE2 LYS 45 1.808 -5.736 -0.122 355 2HE LYS 45 HE1 LYS 45 1.218 -4.213 0.572 356 1HZ LYS 45 HZ1 LYS 45 -1.023 -5.047 0.490 357 2HZ LYS 45 HZ2 LYS 45 -0.064 -6.175 1.323 358 3HZ LYS 45 HZ3 LYS 45 -0.520 -6.472 -0.285 359 H SER 46 HN SER 46 2.229 -3.627 -6.053 360 HA SER 46 HA SER 46 3.655 -6.069 -5.735 361 1HB SER 46 HB2 SER 46 2.196 -4.610 -7.722 362 2HB SER 46 HB1 SER 46 3.675 -5.214 -8.465 363 HG SER 46 HG SER 46 1.468 -6.556 -7.804 364 H ALA 47 HN ALA 47 4.690 -2.905 -6.961 365 HA ALA 47 HA ALA 47 7.289 -3.751 -7.883 366 1HB ALA 47 HB1 ALA 47 7.143 -1.627 -8.662 367 2HB ALA 47 HB2 ALA 47 7.211 -1.005 -7.013 368 3HB ALA 47 HB3 ALA 47 5.656 -1.412 -7.739 369 H LEU 48 HN LEU 48 6.013 -2.804 -4.740 370 HA LEU 48 HA LEU 48 8.588 -2.304 -3.492 371 1HB LEU 48 HB2 LEU 48 6.027 -3.200 -2.132 372 2HB LEU 48 HB1 LEU 48 7.285 -2.158 -1.478 373 HG LEU 48 HG LEU 48 5.216 -1.490 -3.576 374 1HD1 LEU 48 HD21 LEU 48 4.293 -0.863 -1.577 375 2HD1 LEU 48 HD22 LEU 48 5.279 0.573 -1.852 376 3HD1 LEU 48 HD23 LEU 48 5.861 -0.705 -0.785 377 1HD2 LEU 48 HD11 LEU 48 7.948 -0.480 -3.350 378 2HD2 LEU 48 HD12 LEU 48 6.749 0.799 -3.170 379 3HD2 LEU 48 HD13 LEU 48 6.757 -0.204 -4.620 380 H LEU 49 HN LEU 49 6.330 -5.079 -3.423 381 HA LEU 49 HA LEU 49 7.970 -6.765 -1.791 382 1HB LEU 49 HB1 LEU 49 5.440 -6.775 -2.737 383 2HB LEU 49 HB2 LEU 49 6.162 -7.906 -3.880 384 HG LEU 49 HG LEU 49 7.213 -8.826 -1.542 385 1HD1 LEU 49 HD11 LEU 49 4.635 -8.755 -0.387 386 2HD1 LEU 49 HD12 LEU 49 5.013 -7.091 -0.832 387 3HD1 LEU 49 HD13 LEU 49 6.100 -7.989 0.228 388 1HD2 LEU 49 HD21 LEU 49 5.002 -10.329 -1.617 389 2HD2 LEU 49 HD22 LEU 49 6.241 -10.450 -2.865 390 3HD2 LEU 49 HD23 LEU 49 4.789 -9.493 -3.155 391 H ASN 50 HN ASN 50 7.845 -6.259 -5.302 392 HA ASN 50 HA ASN 50 9.546 -8.531 -5.932 393 1HB ASN 50 HB1 ASN 50 7.786 -6.943 -7.263 394 2HB ASN 50 HB2 ASN 50 9.304 -6.211 -7.781 395 1HD2 ASN 50 HD21 ASN 50 7.255 -9.026 -8.103 396 2HD2 ASN 50 HD22 ASN 50 8.239 -9.863 -9.204 397 H GLU 51 HN GLU 51 10.131 -5.109 -5.231 398 HA GLU 51 HA GLU 51 12.950 -5.294 -6.136 399 1HB GLU 51 HB1 GLU 51 11.228 -3.307 -6.307 400 2HB GLU 51 HB2 GLU 51 11.669 -3.015 -4.625 401 1HG GLU 51 HG2 GLU 51 13.620 -2.076 -5.240 402 2HG GLU 51 HG1 GLU 51 14.040 -3.480 -6.220 403 H CYS 52 HN CYS 52 11.094 -4.793 -3.135 404 HA CYS 52 HA CYS 52 13.232 -4.638 -1.288 405 1HB CYS 52 HB2 CYS 52 10.407 -5.724 -1.237 406 2HB CYS 52 HB1 CYS 52 11.403 -5.705 0.211 407 HG CYS 52 HG CYS 52 10.123 -3.253 -1.088 408 H HIS 53 HN HIS 53 11.488 -7.500 -2.538 409 HA HIS 53 HA HIS 53 13.108 -9.435 -1.117 410 1HB HIS 53 HB1 HIS 53 10.738 -9.503 -2.324 411 2HB HIS 53 HB2 HIS 53 11.704 -9.977 -3.722 412 HD1 HIS 53 HD1 HIS 53 13.862 -11.618 -2.099 413 HD2 HIS 53 HD2 HIS 53 9.735 -12.066 -1.727 414 HE1 HIS 53 HE1 HIS 53 13.475 -13.944 -1.177 415 H LYS 54 HN LYS 54 13.186 -8.025 -4.389 416 HA LYS 54 HA LYS 54 15.189 -9.568 -5.603 417 1HB LYS 54 HB2 LYS 54 13.945 -6.950 -5.835 418 2HB LYS 54 HB1 LYS 54 15.641 -6.874 -6.300 419 1HG LYS 54 HG2 LYS 54 15.089 -9.060 -7.645 420 2HG LYS 54 HG1 LYS 54 13.420 -8.509 -7.500 421 1HD LYS 54 HD1 LYS 54 14.295 -7.622 -9.568 422 2HD LYS 54 HD2 LYS 54 14.172 -6.280 -8.429 423 1HE LYS 54 HE1 LYS 54 16.355 -5.916 -9.086 424 2HE LYS 54 HE2 LYS 54 16.695 -7.171 -7.878 425 1HZ LYS 54 HZ1 LYS 54 17.632 -7.708 -10.081 426 2HZ LYS 54 HZ2 LYS 54 16.068 -7.684 -10.742 427 3HZ LYS 54 HZ3 LYS 54 16.480 -8.850 -9.579 428 H GLN 55 HN GLN 55 15.700 -6.548 -3.728 429 HA GLN 55 HA GLN 55 18.599 -7.078 -3.594 430 1HB GLN 55 HB1 GLN 55 16.755 -4.899 -2.548 431 2HB GLN 55 HB2 GLN 55 18.511 -4.855 -2.390 432 1HG GLN 55 HG2 GLN 55 17.334 -5.335 -5.102 433 2HG GLN 55 HG1 GLN 55 17.309 -3.695 -4.454 434 1HE2 GLN 55 HE22 GLN 55 18.981 -2.823 -5.811 435 2HE2 GLN 55 HE21 GLN 55 20.591 -3.356 -5.739 436 H GLY 56 HN GLY 56 15.779 -7.596 -1.631 437 1HA GLY 56 HA1 GLY 56 16.151 -9.266 0.228 438 2HA GLY 56 HA2 GLY 56 17.553 -8.293 0.678 439 H GLY 57 HN GLY 57 17.018 -5.934 1.196 440 1HA GLY 57 HA1 GLY 57 14.284 -5.666 2.354 441 2HA GLY 57 HA2 GLY 57 15.695 -5.292 3.344 442 H LEU 58 HN LEU 58 13.799 -3.295 2.859 443 HA LEU 58 HA LEU 58 15.413 -1.423 1.180 444 1HB LEU 58 HB1 LEU 58 13.506 -2.527 -0.098 445 2HB LEU 58 HB2 LEU 58 12.396 -1.715 1.008 446 HG LEU 58 HG LEU 58 14.439 0.066 -0.140 447 1HD1 LEU 58 HD11 LEU 58 13.246 0.191 -2.348 448 2HD1 LEU 58 HD12 LEU 58 12.385 -1.286 -1.913 449 3HD1 LEU 58 HD13 LEU 58 14.138 -1.312 -2.111 450 1HD2 LEU 58 HD21 LEU 58 11.731 0.803 -0.702 451 2HD2 LEU 58 HD22 LEU 58 12.832 1.512 0.478 452 3HD2 LEU 58 HD23 LEU 58 11.800 0.159 0.939 453 H ARG 59 HN ARG 59 15.789 0.382 2.380 454 HA ARG 59 HA ARG 59 14.513 0.935 4.891 455 1HB ARG 59 HB1 ARG 59 16.742 1.742 3.470 456 2HB ARG 59 HB2 ARG 59 15.730 3.185 3.416 457 1HG ARG 59 HG1 ARG 59 15.470 3.074 5.881 458 2HG ARG 59 HG2 ARG 59 16.533 1.668 5.914 459 1HD ARG 59 HD2 ARG 59 18.361 3.027 4.934 460 2HD ARG 59 HD1 ARG 59 17.292 4.442 4.922 461 HE ARG 59 HE ARG 59 17.113 3.537 7.524 462 1HH1 ARG 59 HH12 ARG 59 19.767 4.321 5.413 463 2HH1 ARG 59 HH11 ARG 59 20.801 4.805 6.712 464 1HH2 ARG 59 HH22 ARG 59 18.472 4.170 9.192 465 2HH2 ARG 59 HH21 ARG 59 20.075 4.721 8.837 466 H LEU 60 HN LEU 60 12.749 2.260 5.363 467 HA LEU 60 HA LEU 60 10.714 2.731 3.484 468 1HB LEU 60 HB1 LEU 60 10.584 2.774 5.994 469 2HB LEU 60 HB2 LEU 60 11.377 4.348 5.971 470 HG LEU 60 HG LEU 60 9.536 5.303 4.683 471 1HD1 LEU 60 HD11 LEU 60 7.510 3.391 4.738 472 2HD1 LEU 60 HD12 LEU 60 8.933 2.475 4.237 473 3HD1 LEU 60 HD13 LEU 60 8.421 3.889 3.311 474 1HD2 LEU 60 HD21 LEU 60 9.370 5.069 7.203 475 2HD2 LEU 60 HD22 LEU 60 8.363 3.646 6.932 476 3HD2 LEU 60 HD23 LEU 60 7.823 5.229 6.372 477 H ALA 61 HN ALA 61 13.588 4.636 4.139 478 HA ALA 61 HA ALA 61 12.720 7.128 2.990 479 1HB ALA 61 HB1 ALA 61 15.503 5.907 3.034 480 2HB ALA 61 HB2 ALA 61 14.743 6.630 4.451 481 3HB ALA 61 HB3 ALA 61 15.095 7.623 3.037 482 H GLN 62 HN GLN 62 14.805 4.561 1.573 483 HA GLN 62 HA GLN 62 14.926 5.513 -1.076 484 1HB GLN 62 HB1 GLN 62 14.646 2.652 -0.074 485 2HB GLN 62 HB2 GLN 62 15.371 3.142 -1.604 486 1HG GLN 62 HG2 GLN 62 16.753 4.687 0.212 487 2HG GLN 62 HG1 GLN 62 16.509 3.189 1.110 488 1HE2 GLN 62 HE21 GLN 62 17.240 3.972 -2.349 489 2HE2 GLN 62 HE22 GLN 62 18.531 2.876 -2.471 490 H ALA 63 HN ALA 63 12.347 3.849 0.630 491 HA ALA 63 HA ALA 63 10.675 3.195 -1.603 492 1HB ALA 63 HB1 ALA 63 9.863 2.174 0.272 493 2HB ALA 63 HB2 ALA 63 9.016 3.695 0.554 494 3HB ALA 63 HB3 ALA 63 10.569 3.391 1.332 495 H ARG 64 HN ARG 64 10.899 6.081 0.458 496 HA ARG 64 HA ARG 64 8.659 7.484 -0.599 497 1HB ARG 64 HB1 ARG 64 11.242 8.816 0.214 498 2HB ARG 64 HB2 ARG 64 9.610 9.396 0.442 499 1HG ARG 64 HG2 ARG 64 11.024 7.206 1.939 500 2HG ARG 64 HG1 ARG 64 10.360 8.698 2.577 501 1HD ARG 64 HD2 ARG 64 8.575 6.641 1.254 502 2HD ARG 64 HD1 ARG 64 8.994 6.572 2.971 503 HE ARG 64 HE ARG 64 7.235 8.540 1.768 504 1HH1 ARG 64 HH22 ARG 64 9.633 8.014 4.241 505 2HH1 ARG 64 HH21 ARG 64 9.043 9.295 5.241 506 1HH2 ARG 64 HH11 ARG 64 6.489 10.203 3.097 507 2HH2 ARG 64 HH12 ARG 64 7.281 10.522 4.602 508 H ALA 65 HN ALA 65 12.045 7.336 -1.655 509 HA ALA 65 HA ALA 65 11.496 9.085 -3.975 510 1HB ALA 65 HB1 ALA 65 13.902 8.929 -4.248 511 2HB ALA 65 HB2 ALA 65 13.972 7.512 -3.200 512 3HB ALA 65 HB3 ALA 65 13.577 9.091 -2.522 513 H LEU 66 HN LEU 66 10.957 5.838 -3.382 514 HA LEU 66 HA LEU 66 11.955 4.844 -5.976 515 1HB LEU 66 HB1 LEU 66 12.138 3.504 -3.925 516 2HB LEU 66 HB2 LEU 66 10.395 3.587 -3.687 517 HG LEU 66 HG LEU 66 10.305 2.556 -6.110 518 1HD1 LEU 66 HD11 LEU 66 12.583 2.618 -6.748 519 2HD1 LEU 66 HD12 LEU 66 12.308 0.934 -6.300 520 3HD1 LEU 66 HD13 LEU 66 13.125 2.023 -5.178 521 1HD2 LEU 66 HD21 LEU 66 10.311 1.492 -3.470 522 2HD2 LEU 66 HD22 LEU 66 11.192 0.358 -4.494 523 3HD2 LEU 66 HD23 LEU 66 9.540 0.818 -4.905 524 H ILE 67 HN ILE 67 8.773 4.235 -4.483 525 HA ILE 67 HA ILE 67 7.544 4.413 -7.167 526 HB ILE 67 HB ILE 67 5.648 3.349 -6.011 527 1HG1 ILE 67 HG11 ILE 67 7.268 3.553 -3.465 528 2HG1 ILE 67 HG12 ILE 67 6.001 4.704 -3.883 529 1HG2 ILE 67 HG21 ILE 67 8.175 2.261 -6.370 530 2HG2 ILE 67 HG22 ILE 67 6.704 1.350 -6.028 531 3HG2 ILE 67 HG23 ILE 67 7.777 1.819 -4.709 532 1HD1 ILE 67 HD11 ILE 67 5.238 1.858 -4.145 533 2HD1 ILE 67 HD12 ILE 67 4.330 3.208 -3.465 534 3HD1 ILE 67 HD13 ILE 67 5.558 2.393 -2.495 535 H LYS 68 HN LYS 68 5.006 5.218 -6.628 536 HA LYS 68 HA LYS 68 3.731 7.205 -6.558 537 1HB LYS 68 HB2 LYS 68 5.420 7.544 -4.056 538 2HB LYS 68 HB1 LYS 68 3.830 8.245 -4.341 539 1HG LYS 68 HG2 LYS 68 4.237 5.257 -4.473 540 2HG LYS 68 HG1 LYS 68 3.971 6.063 -2.931 541 1HD LYS 68 HD1 LYS 68 1.787 5.554 -3.538 542 2HD LYS 68 HD2 LYS 68 1.943 7.175 -4.211 543 1HE LYS 68 HE2 LYS 68 2.943 5.460 -6.209 544 2HE LYS 68 HE1 LYS 68 1.469 4.678 -5.604 545 1HZ LYS 68 HZ1 LYS 68 1.792 7.467 -6.574 546 2HZ LYS 68 HZ2 LYS 68 0.439 6.961 -5.681 547 3HZ LYS 68 HZ3 LYS 68 0.766 6.266 -7.196 548 H ILE 69 HN ILE 69 4.813 9.696 -5.193 549 HA ILE 69 HA ILE 69 7.024 10.450 -7.025 550 HB ILE 69 HB ILE 69 5.738 12.278 -7.981 551 1HG1 ILE 69 HG12 ILE 69 4.381 12.734 -5.908 552 2HG1 ILE 69 HG11 ILE 69 3.458 12.767 -7.403 553 1HG2 ILE 69 HG21 ILE 69 3.997 9.806 -8.045 554 2HG2 ILE 69 HG22 ILE 69 5.515 9.952 -8.931 555 3HG2 ILE 69 HG23 ILE 69 4.169 11.030 -9.303 556 1HD1 ILE 69 HD11 ILE 69 3.262 10.109 -6.631 557 2HD1 ILE 69 HD12 ILE 69 2.037 11.344 -6.364 558 3HD1 ILE 69 HD13 ILE 69 3.203 10.970 -5.098 559 H ASP 70 HN ASP 70 4.922 11.374 -4.298 560 HA ASP 70 HA ASP 70 6.783 13.570 -3.590 561 1HB ASP 70 HB2 ASP 70 4.376 13.969 -3.600 562 2HB ASP 70 HB1 ASP 70 4.128 12.632 -2.488 563 H VAL 71 HN VAL 71 5.088 11.525 -1.256 564 HA VAL 71 HA VAL 71 7.371 9.984 -0.408 565 HB VAL 71 HB VAL 71 7.327 11.520 1.855 566 1HG1 VAL 71 HG11 VAL 71 9.473 11.317 1.337 567 2HG1 VAL 71 HG12 VAL 71 9.303 12.704 0.260 568 3HG1 VAL 71 HG13 VAL 71 9.092 11.069 -0.365 569 1HG2 VAL 71 HG21 VAL 71 7.066 13.775 1.501 570 2HG2 VAL 71 HG22 VAL 71 5.897 13.173 0.325 571 3HG2 VAL 71 HG23 VAL 71 7.506 13.668 -0.203 572 H ASN 72 HN ASN 72 4.748 11.869 1.102 573 HA ASN 72 HA ASN 72 4.194 10.001 3.157 574 1HB ASN 72 HB2 ASN 72 2.779 12.244 1.756 575 2HB ASN 72 HB1 ASN 72 1.819 11.219 2.823 576 1HD2 ASN 72 HD22 ASN 72 5.221 12.399 3.092 577 2HD2 ASN 72 HD21 ASN 72 5.008 13.108 4.620 578 H LYS 73 HN LYS 73 3.095 10.228 -0.161 579 HA LYS 73 HA LYS 73 0.982 8.329 -0.177 580 1HB LYS 73 HB2 LYS 73 2.975 9.517 -2.051 581 2HB LYS 73 HB1 LYS 73 2.129 8.079 -2.604 582 1HG LYS 73 HG2 LYS 73 0.883 10.083 -3.268 583 2HG LYS 73 HG1 LYS 73 -0.040 9.170 -2.077 584 1HD LYS 73 HD1 LYS 73 -0.133 11.493 -1.428 585 2HD LYS 73 HD2 LYS 73 0.947 10.684 -0.296 586 1HE LYS 73 HE1 LYS 73 1.938 12.812 -1.056 587 2HE LYS 73 HE2 LYS 73 2.897 11.444 -1.650 588 1HZ LYS 73 HZ1 LYS 73 0.622 12.496 -3.219 589 2HZ LYS 73 HZ2 LYS 73 1.965 11.610 -3.758 590 3HZ LYS 73 HZ3 LYS 73 2.144 13.241 -3.325 591 H THR 74 HN THR 74 4.447 7.842 -0.954 592 HA THR 74 HA THR 74 4.298 4.960 -0.977 593 HB THR 74 HB THR 74 6.572 6.931 -0.524 594 HG1 THR 74 HG1 THR 74 6.643 7.036 -2.617 595 1HG2 THR 74 HG21 THR 74 6.494 4.083 -0.247 596 2HG2 THR 74 HG22 THR 74 7.887 5.152 -0.122 597 3HG2 THR 74 HG23 THR 74 7.436 4.471 -1.685 598 H ARG 75 HN ARG 75 5.222 7.369 1.491 599 HA ARG 75 HA ARG 75 6.142 5.732 3.560 600 1HB ARG 75 HB1 ARG 75 5.726 8.322 3.290 601 2HB ARG 75 HB2 ARG 75 4.171 7.965 4.040 602 1HG ARG 75 HG2 ARG 75 5.569 6.706 5.832 603 2HG ARG 75 HG1 ARG 75 6.937 7.614 5.189 604 1HD ARG 75 HD2 ARG 75 6.294 9.389 6.443 605 2HD ARG 75 HD1 ARG 75 4.777 9.456 5.525 606 HE ARG 75 HE ARG 75 4.759 7.320 7.496 607 1HH1 ARG 75 HH21 ARG 75 4.329 10.743 7.028 608 2HH1 ARG 75 HH22 ARG 75 3.288 10.911 8.398 609 1HH2 ARG 75 HH11 ARG 75 3.404 7.565 9.270 610 2HH2 ARG 75 HH12 ARG 75 2.766 9.127 9.659 611 H LYS 76 HN LYS 76 2.895 6.104 2.316 612 HA LYS 76 HA LYS 76 1.628 4.804 4.572 613 1HB LYS 76 HB1 LYS 76 0.866 5.821 1.868 614 2HB LYS 76 HB2 LYS 76 -0.291 5.007 2.916 615 1HG LYS 76 HG2 LYS 76 1.478 7.224 3.925 616 2HG LYS 76 HG1 LYS 76 -0.070 7.542 3.180 617 1HD LYS 76 HD2 LYS 76 -1.251 6.844 4.979 618 2HD LYS 76 HD1 LYS 76 -0.207 5.441 5.203 619 1HE LYS 76 HE1 LYS 76 0.752 6.511 6.958 620 2HE LYS 76 HE2 LYS 76 1.358 7.736 5.828 621 1HZ LYS 76 HZ1 LYS 76 -1.295 7.682 7.170 622 2HZ LYS 76 HZ2 LYS 76 -0.893 8.759 5.920 623 3HZ LYS 76 HZ3 LYS 76 -0.060 8.825 7.398 624 H ILE 77 HN ILE 77 1.849 3.932 1.081 625 HA ILE 77 HA ILE 77 0.969 1.238 1.377 626 HB ILE 77 HB ILE 77 2.908 2.517 -0.590 627 1HG1 ILE 77 HG11 ILE 77 -0.094 2.085 -0.715 628 2HG1 ILE 77 HG12 ILE 77 0.708 3.635 -0.466 629 1HG2 ILE 77 HG21 ILE 77 2.411 0.676 -2.066 630 2HG2 ILE 77 HG22 ILE 77 1.193 0.047 -0.956 631 3HG2 ILE 77 HG23 ILE 77 2.900 -0.014 -0.518 632 1HD1 ILE 77 HD11 ILE 77 1.309 3.827 -2.659 633 2HD1 ILE 77 HD12 ILE 77 -0.028 2.706 -2.913 634 3HD1 ILE 77 HD13 ILE 77 1.626 2.101 -2.828 635 H TYR 78 HN TYR 78 4.318 2.501 1.190 636 HA TYR 78 HA TYR 78 5.636 0.021 1.612 637 1HB TYR 78 HB2 TYR 78 6.230 2.814 1.379 638 2HB TYR 78 HB1 TYR 78 7.121 2.181 2.760 639 HD1 TYR 78 HD1 TYR 78 8.538 0.090 2.443 640 HD2 TYR 78 HD2 TYR 78 6.878 2.296 -0.847 641 HE1 TYR 78 HE1 TYR 78 10.155 -0.988 0.902 642 HE2 TYR 78 HE2 TYR 78 8.498 1.222 -2.385 643 HH TYR 78 HH TYR 78 9.864 -1.244 -2.180 644 H ASP 79 HN ASP 79 4.665 2.529 4.031 645 HA ASP 79 HA ASP 79 5.759 1.385 6.347 646 1HB ASP 79 HB2 ASP 79 4.589 3.500 6.385 647 2HB ASP 79 HB1 ASP 79 3.095 2.756 5.825 648 H PHE 80 HN PHE 80 2.689 0.517 4.737 649 HA PHE 80 HA PHE 80 1.809 -1.431 6.613 650 1HB PHE 80 HB1 PHE 80 0.508 -0.445 4.725 651 2HB PHE 80 HB2 PHE 80 1.510 -1.346 3.587 652 HD1 PHE 80 HD1 PHE 80 -0.234 -2.129 6.825 653 HD2 PHE 80 HD2 PHE 80 0.441 -3.227 2.727 654 HE1 PHE 80 HE1 PHE 80 -1.698 -4.109 7.114 655 HE2 PHE 80 HE2 PHE 80 -1.024 -5.208 3.017 656 HZ PHE 80 HZ PHE 80 -2.093 -5.649 5.210 657 H LEU 81 HN LEU 81 3.684 -1.904 3.578 658 HA LEU 81 HA LEU 81 4.114 -4.707 3.959 659 1HB LEU 81 HB2 LEU 81 5.826 -2.636 2.531 660 2HB LEU 81 HB1 LEU 81 5.824 -4.370 2.219 661 HG LEU 81 HG LEU 81 3.157 -3.114 2.101 662 1HD1 LEU 81 HD21 LEU 81 5.353 -1.832 0.779 663 2HD1 LEU 81 HD22 LEU 81 3.635 -1.451 0.660 664 3HD1 LEU 81 HD23 LEU 81 4.356 -2.623 -0.443 665 1HD2 LEU 81 HD11 LEU 81 4.775 -5.211 0.740 666 2HD2 LEU 81 HD12 LEU 81 3.502 -4.448 -0.212 667 3HD2 LEU 81 HD13 LEU 81 3.102 -5.267 1.298 668 H ILE 82 HN ILE 82 6.076 -1.888 4.933 669 HA ILE 82 HA ILE 82 8.357 -3.316 5.895 670 HB ILE 82 HB ILE 82 7.067 -0.686 6.714 671 1HG1 ILE 82 HG11 ILE 82 7.734 -0.993 4.289 672 2HG1 ILE 82 HG12 ILE 82 8.529 0.345 5.111 673 1HG2 ILE 82 HG21 ILE 82 9.928 -1.599 7.141 674 2HG2 ILE 82 HG22 ILE 82 8.693 -1.578 8.400 675 3HG2 ILE 82 HG23 ILE 82 9.220 -0.068 7.657 676 1HD1 ILE 82 HD11 ILE 82 10.027 -1.165 3.683 677 2HD1 ILE 82 HD12 ILE 82 9.783 -2.400 4.919 678 3HD1 ILE 82 HD13 ILE 82 10.564 -0.876 5.338 679 H ARG 83 HN ARG 83 5.591 -1.962 7.731 680 HA ARG 83 HA ARG 83 6.372 -3.171 10.227 681 1HB ARG 83 HB1 ARG 83 4.008 -1.755 9.054 682 2HB ARG 83 HB2 ARG 83 3.799 -2.563 10.600 683 1HG ARG 83 HG2 ARG 83 4.468 -0.199 10.884 684 2HG ARG 83 HG1 ARG 83 5.687 -1.301 11.505 685 1HD ARG 83 HD1 ARG 83 7.003 -1.051 9.428 686 2HD ARG 83 HD2 ARG 83 5.773 0.055 8.787 687 HE ARG 83 HE ARG 83 6.586 1.719 10.266 688 1HH1 ARG 83 HH11 ARG 83 7.708 -1.439 11.206 689 2HH1 ARG 83 HH12 ARG 83 8.753 -0.822 12.438 690 1HH2 ARG 83 HH22 ARG 83 7.950 2.497 11.871 691 2HH2 ARG 83 HH21 ARG 83 8.890 1.389 12.813 692 H GLU 84 HN GLU 84 4.517 -4.327 7.490 693 HA GLU 84 HA GLU 84 3.333 -6.556 9.033 694 1HB GLU 84 HB2 GLU 84 3.276 -5.658 6.132 695 2HB GLU 84 HB1 GLU 84 2.406 -7.073 6.720 696 1HG GLU 84 HG1 GLU 84 2.067 -4.303 7.897 697 2HG GLU 84 HG2 GLU 84 1.024 -4.953 6.633 698 H GLY 85 HN GLY 85 3.508 -8.729 7.529 699 1HA GLY 85 HA1 GLY 85 6.393 -9.369 7.545 700 2HA GLY 85 HA2 GLY 85 5.077 -10.537 7.416 701 H TYR 86 HN TYR 86 5.894 -7.624 5.503 702 HA TYR 86 HA TYR 86 5.719 -9.336 3.047 703 1HB TYR 86 HB1 TYR 86 5.045 -6.483 3.752 704 2HB TYR 86 HB2 TYR 86 5.362 -6.911 2.070 705 HD1 TYR 86 HD1 TYR 86 4.200 -9.349 1.470 706 HD2 TYR 86 HD2 TYR 86 2.794 -6.465 4.326 707 HE1 TYR 86 HE1 TYR 86 1.907 -10.273 1.273 708 HE2 TYR 86 HE2 TYR 86 0.501 -7.388 4.129 709 HH TYR 86 HH TYR 86 -0.171 -10.351 2.727 710 H ILE 87 HN ILE 87 7.240 -6.197 3.867 711 HA ILE 87 HA ILE 87 9.761 -7.218 2.598 712 HB ILE 87 HB ILE 87 10.073 -4.917 1.809 713 1HG1 ILE 87 HG11 ILE 87 7.471 -4.266 3.214 714 2HG1 ILE 87 HG12 ILE 87 9.059 -3.846 3.846 715 1HG2 ILE 87 HG21 ILE 87 8.726 -5.403 0.075 716 2HG2 ILE 87 HG22 ILE 87 7.313 -4.927 1.020 717 3HG2 ILE 87 HG23 ILE 87 7.893 -6.593 1.076 718 1HD1 ILE 87 HD11 ILE 87 9.494 -2.655 1.644 719 2HD1 ILE 87 HD12 ILE 87 8.259 -1.914 2.661 720 3HD1 ILE 87 HD13 ILE 87 7.786 -2.889 1.271 721 H THR 88 HN THR 88 11.093 -4.675 3.457 722 HA THR 88 HA THR 88 10.959 -4.506 6.342 723 HB THR 88 HB THR 88 11.936 -6.744 6.085 724 HG1 THR 88 HG1 THR 88 13.019 -6.107 7.752 725 1HG2 THR 88 HG21 THR 88 13.529 -7.226 4.542 726 2HG2 THR 88 HG22 THR 88 14.437 -5.755 4.892 727 3HG2 THR 88 HG23 THR 88 13.044 -5.695 3.815 728 H LYS 89 HN LYS 89 13.414 -3.585 7.004 729 HA LYS 89 HA LYS 89 14.224 -1.630 4.918 730 1HB LYS 89 HB1 LYS 89 14.004 0.192 6.608 731 2HB LYS 89 HB2 LYS 89 12.457 -0.576 6.252 732 1HG LYS 89 HG2 LYS 89 13.190 -2.150 8.260 733 2HG LYS 89 HG1 LYS 89 14.136 -0.737 8.719 734 1HD LYS 89 HD1 LYS 89 12.292 0.398 9.374 735 2HD LYS 89 HD2 LYS 89 11.413 -0.042 7.910 736 1HE LYS 89 HE1 LYS 89 10.232 -1.054 9.768 737 2HE LYS 89 HE2 LYS 89 11.108 -2.365 8.955 738 1HZ LYS 89 HZ1 LYS 89 12.342 -0.775 11.128 739 2HZ LYS 89 HZ2 LYS 89 12.816 -2.294 10.534 740 3HZ LYS 89 HZ3 LYS 89 11.406 -2.150 11.470 741 H ALA 90 HN ALA 90 16.264 -2.718 4.814 742 HA ALA 90 HA ALA 90 18.473 -3.209 5.489 743 1HB ALA 90 HB1 ALA 90 17.669 -0.798 7.143 744 2HB ALA 90 HB2 ALA 90 18.594 -0.814 5.642 745 3HB ALA 90 HB3 ALA 90 19.318 -1.423 7.130 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 14.665 -14.436 1.301 2 2H GLY 1 HT2 GLY 1 15.743 -13.528 0.353 3 3H GLY 1 HT3 GLY 1 14.171 -13.836 -0.209 4 1HA GLY 1 HA2 GLY 1 14.281 -11.584 0.573 5 2HA GLY 1 HA1 GLY 1 13.264 -12.539 1.652 6 H SER 2 HN SER 2 16.559 -11.265 1.253 7 HA SER 2 HA SER 2 17.352 -11.918 3.985 8 1HB SER 2 HB1 SER 2 18.501 -11.049 1.529 9 2HB SER 2 HB2 SER 2 18.901 -9.826 2.735 10 HG SER 2 HG SER 2 20.047 -12.144 2.406 11 H ASN 3 HN ASN 3 18.620 -9.415 4.634 12 HA ASN 3 HA ASN 3 16.216 -7.873 5.509 13 1HB ASN 3 HB2 ASN 3 17.881 -8.889 7.135 14 2HB ASN 3 HB1 ASN 3 19.092 -7.783 6.486 15 1HD2 ASN 3 HD21 ASN 3 19.031 -6.983 8.864 16 2HD2 ASN 3 HD22 ASN 3 17.876 -5.803 9.254 17 H SER 4 HN SER 4 16.275 -5.536 5.345 18 HA SER 4 HA SER 4 16.674 -3.529 4.165 19 1HB SER 4 HB2 SER 4 18.793 -4.009 5.543 20 2HB SER 4 HB1 SER 4 19.508 -4.600 4.043 21 HG SER 4 HG SER 4 20.016 -2.476 4.133 22 H GLY 5 HN GLY 5 15.527 -4.075 2.218 23 1HA GLY 5 HA1 GLY 5 17.078 -5.383 0.053 24 2HA GLY 5 HA2 GLY 5 15.347 -5.045 0.015 25 H ARG 6 HN ARG 6 18.506 -3.801 -0.686 26 HA ARG 6 HA ARG 6 17.376 -1.136 -1.410 27 1HB ARG 6 HB1 ARG 6 20.223 -2.195 -1.217 28 2HB ARG 6 HB2 ARG 6 19.779 -0.512 -1.502 29 1HG ARG 6 HG2 ARG 6 18.341 -0.902 0.712 30 2HG ARG 6 HG1 ARG 6 19.564 -2.141 0.998 31 1HD ARG 6 HD1 ARG 6 20.967 0.159 0.104 32 2HD ARG 6 HD2 ARG 6 19.805 0.715 1.323 33 HE ARG 6 HE ARG 6 20.966 -0.574 2.940 34 1HH1 ARG 6 HH12 ARG 6 21.863 -1.521 -0.289 35 2HH1 ARG 6 HH11 ARG 6 23.121 -2.575 0.253 36 1HH2 ARG 6 HH21 ARG 6 22.606 -1.951 3.617 37 2HH2 ARG 6 HH22 ARG 6 23.540 -2.819 2.445 38 H ARG 7 HN ARG 7 19.963 -3.127 -2.882 39 HA ARG 7 HA ARG 7 20.428 -3.544 -5.161 40 1HB ARG 7 HB1 ARG 7 18.131 -4.716 -4.359 41 2HB ARG 7 HB2 ARG 7 17.484 -3.693 -5.642 42 1HG ARG 7 HG1 ARG 7 19.084 -4.642 -7.238 43 2HG ARG 7 HG2 ARG 7 19.808 -5.618 -5.960 44 1HD ARG 7 HD2 ARG 7 17.076 -6.213 -5.801 45 2HD ARG 7 HD1 ARG 7 17.417 -6.154 -7.541 46 HE ARG 7 HE ARG 7 19.560 -7.525 -6.245 47 1HH1 ARG 7 HH22 ARG 7 16.181 -7.916 -6.987 48 2HH1 ARG 7 HH21 ARG 7 16.281 -9.642 -7.043 49 1HH2 ARG 7 HH12 ARG 7 19.664 -9.764 -6.323 50 2HH2 ARG 7 HH11 ARG 7 18.237 -10.683 -6.671 51 H SER 8 HN SER 8 19.701 -0.669 -4.335 52 HA SER 8 HA SER 8 19.783 0.498 -6.970 53 1HB SER 8 HB2 SER 8 17.534 1.177 -7.236 54 2HB SER 8 HB1 SER 8 17.364 -0.447 -6.570 55 HG SER 8 HG SER 8 16.626 1.929 -5.520 56 H ALA 9 HN ALA 9 19.928 2.851 -6.844 57 HA ALA 9 HA ALA 9 21.241 3.904 -4.578 58 1HB ALA 9 HB1 ALA 9 20.236 6.112 -5.732 59 2HB ALA 9 HB2 ALA 9 19.812 4.952 -6.991 60 3HB ALA 9 HB3 ALA 9 21.497 5.160 -6.515 61 HA PRO 10 HA PRO 10 18.069 4.894 -1.708 62 1HB PRO 10 HB1 PRO 10 18.813 7.377 -0.796 63 2HB PRO 10 HB2 PRO 10 19.679 5.890 -0.367 64 1HG PRO 10 HG1 PRO 10 20.352 7.947 -2.413 65 2HG PRO 10 HG2 PRO 10 21.414 7.087 -1.288 66 1HD PRO 10 HD1 PRO 10 21.169 6.417 -3.904 67 2HD PRO 10 HD2 PRO 10 21.555 5.237 -2.638 68 HA PRO 11 HA PRO 11 15.498 7.462 -4.396 69 1HB PRO 11 HB2 PRO 11 13.177 6.130 -3.345 70 2HB PRO 11 HB1 PRO 11 13.916 5.914 -4.939 71 1HG PRO 11 HG1 PRO 11 13.872 4.024 -2.922 72 2HG PRO 11 HG2 PRO 11 14.969 4.024 -4.307 73 1HD PRO 11 HD1 PRO 11 15.473 4.842 -1.494 74 2HD PRO 11 HD2 PRO 11 16.573 4.096 -2.673 75 H LEU 12 HN LEU 12 13.741 6.501 -1.531 76 HA LEU 12 HA LEU 12 13.641 9.363 -0.657 77 1HB LEU 12 HB2 LEU 12 11.559 7.184 -0.825 78 2HB LEU 12 HB1 LEU 12 11.328 8.582 0.225 79 HG LEU 12 HG LEU 12 12.171 9.700 -2.181 80 1HD1 LEU 12 HD11 LEU 12 11.884 7.654 -3.415 81 2HD1 LEU 12 HD12 LEU 12 10.502 8.680 -3.798 82 3HD1 LEU 12 HD13 LEU 12 10.322 7.348 -2.655 83 1HD2 LEU 12 HD21 LEU 12 9.901 10.558 -2.290 84 2HD2 LEU 12 HD22 LEU 12 10.380 10.465 -0.595 85 3HD2 LEU 12 HD23 LEU 12 9.314 9.238 -1.279 86 H ASN 13 HN ASN 13 12.385 6.457 0.895 87 HA ASN 13 HA ASN 13 14.479 6.643 3.002 88 1HB ASN 13 HB2 ASN 13 11.533 7.152 3.197 89 2HB ASN 13 HB1 ASN 13 12.341 6.404 4.575 90 1HD2 ASN 13 HD21 ASN 13 11.985 9.383 2.753 91 2HD2 ASN 13 HD22 ASN 13 12.965 10.340 3.755 92 H LEU 14 HN LEU 14 11.699 4.873 1.715 93 HA LEU 14 HA LEU 14 11.667 2.521 3.163 94 1HB LEU 14 HB1 LEU 14 10.653 3.482 0.782 95 2HB LEU 14 HB2 LEU 14 11.646 2.130 0.238 96 HG LEU 14 HG LEU 14 10.465 0.876 2.252 97 1HD1 LEU 14 HD11 LEU 14 8.104 1.663 2.471 98 2HD1 LEU 14 HD12 LEU 14 8.535 3.103 1.548 99 3HD1 LEU 14 HD13 LEU 14 9.273 2.811 3.124 100 1HD2 LEU 14 HD21 LEU 14 10.082 -0.088 0.188 101 2HD2 LEU 14 HD22 LEU 14 9.543 1.427 -0.536 102 3HD2 LEU 14 HD23 LEU 14 8.465 0.526 0.530 103 H THR 15 HN THR 15 14.108 3.484 0.788 104 HA THR 15 HA THR 15 15.394 0.962 0.448 105 HB THR 15 HB THR 15 15.735 3.003 -0.924 106 HG1 THR 15 HG1 THR 15 17.865 2.653 -1.218 107 1HG2 THR 15 HG21 THR 15 16.824 4.933 -0.095 108 2HG2 THR 15 HG22 THR 15 17.432 4.085 1.326 109 3HG2 THR 15 HG23 THR 15 15.719 4.486 1.204 110 H GLY 16 HN GLY 16 16.306 -0.253 2.049 111 1HA GLY 16 HA1 GLY 16 17.917 -0.705 3.742 112 2HA GLY 16 HA2 GLY 16 18.150 1.030 3.949 113 H LEU 17 HN LEU 17 14.921 -0.320 3.946 114 HA LEU 17 HA LEU 17 14.810 0.125 6.912 115 1HB LEU 17 HB2 LEU 17 12.956 0.815 4.633 116 2HB LEU 17 HB1 LEU 17 12.330 0.681 6.270 117 HG LEU 17 HG LEU 17 14.549 2.529 5.336 118 1HD1 LEU 17 HD21 LEU 17 12.822 4.241 6.197 119 2HD1 LEU 17 HD22 LEU 17 11.659 2.916 6.133 120 3HD1 LEU 17 HD23 LEU 17 12.466 3.454 4.661 121 1HD2 LEU 17 HD11 LEU 17 15.204 2.230 7.506 122 2HD2 LEU 17 HD12 LEU 17 13.625 1.623 8.001 123 3HD2 LEU 17 HD13 LEU 17 13.888 3.358 7.829 124 HA PRO 18 HA PRO 18 13.120 -3.922 7.286 125 1HB PRO 18 HB2 PRO 18 11.268 -3.625 9.270 126 2HB PRO 18 HB1 PRO 18 13.007 -3.463 9.589 127 1HG PRO 18 HG2 PRO 18 10.956 -1.324 9.117 128 2HG PRO 18 HG1 PRO 18 12.216 -1.412 10.364 129 1HD PRO 18 HD2 PRO 18 12.482 0.057 8.106 130 2HD PRO 18 HD1 PRO 18 13.866 -0.714 8.910 131 H GLY 19 HN GLY 19 11.649 -5.011 6.029 132 1HA GLY 19 HA1 GLY 19 9.361 -5.536 5.374 133 2HA GLY 19 HA2 GLY 19 8.921 -3.860 5.712 134 H THR 20 HN THR 20 11.150 -2.648 4.365 135 HA THR 20 HA THR 20 10.251 -2.203 1.768 136 HB THR 20 HB THR 20 13.190 -2.429 2.438 137 HG1 THR 20 HG1 THR 20 11.448 -0.383 3.326 138 1HG2 THR 20 HG21 THR 20 13.439 -0.626 0.970 139 2HG2 THR 20 HG22 THR 20 11.773 -0.092 1.187 140 3HG2 THR 20 HG23 THR 20 12.120 -1.526 0.221 141 H GLU 21 HN GLU 21 12.077 -4.929 2.987 142 HA GLU 21 HA GLU 21 12.902 -5.959 0.407 143 1HB GLU 21 HB2 GLU 21 13.797 -6.328 2.845 144 2HB GLU 21 HB1 GLU 21 12.506 -7.523 2.972 145 1HG GLU 21 HG2 GLU 21 14.353 -8.790 2.232 146 2HG GLU 21 HG1 GLU 21 13.438 -8.483 0.757 147 H LYS 22 HN LYS 22 10.356 -6.956 2.741 148 HA LYS 22 HA LYS 22 9.213 -9.049 1.224 149 1HB LYS 22 HB2 LYS 22 8.074 -6.991 3.143 150 2HB LYS 22 HB1 LYS 22 7.141 -8.373 2.565 151 1HG LYS 22 HG1 LYS 22 8.404 -9.895 3.754 152 2HG LYS 22 HG2 LYS 22 9.867 -8.915 3.656 153 1HD LYS 22 HD2 LYS 22 9.395 -8.453 5.841 154 2HD LYS 22 HD1 LYS 22 8.271 -7.284 5.146 155 1HE LYS 22 HE1 LYS 22 6.407 -8.676 5.507 156 2HE LYS 22 HE2 LYS 22 7.404 -10.141 5.606 157 1HZ LYS 22 HZ1 LYS 22 8.499 -9.002 7.578 158 2HZ LYS 22 HZ2 LYS 22 6.922 -9.584 7.825 159 3HZ LYS 22 HZ3 LYS 22 7.184 -7.926 7.566 160 H LEU 23 HN LEU 23 9.032 -5.582 0.817 161 HA LEU 23 HA LEU 23 6.729 -5.550 -0.960 162 1HB LEU 23 HB2 LEU 23 9.063 -3.625 -0.621 163 2HB LEU 23 HB1 LEU 23 7.499 -3.237 -1.333 164 HG LEU 23 HG LEU 23 7.969 -4.115 1.528 165 1HD1 LEU 23 HD21 LEU 23 8.546 -1.685 0.598 166 2HD1 LEU 23 HD22 LEU 23 7.760 -1.899 2.161 167 3HD1 LEU 23 HD23 LEU 23 6.800 -1.478 0.743 168 1HD2 LEU 23 HD11 LEU 23 5.448 -3.146 1.466 169 2HD2 LEU 23 HD12 LEU 23 5.826 -4.853 1.234 170 3HD2 LEU 23 HD13 LEU 23 5.551 -3.813 -0.163 171 H ASN 24 HN ASN 24 7.057 -7.014 -2.692 172 HA ASN 24 HA ASN 24 9.442 -7.602 -4.050 173 1HB ASN 24 HB2 ASN 24 6.555 -7.394 -4.962 174 2HB ASN 24 HB1 ASN 24 7.820 -8.116 -5.955 175 1HD2 ASN 24 HD21 ASN 24 5.395 -9.339 -4.467 176 2HD2 ASN 24 HD22 ASN 24 6.071 -10.613 -3.572 177 H GLU 25 HN GLU 25 7.019 -5.687 -5.783 178 HA GLU 25 HA GLU 25 8.972 -3.503 -6.254 179 1HB GLU 25 HB1 GLU 25 8.148 -5.647 -8.150 180 2HB GLU 25 HB2 GLU 25 8.149 -4.012 -8.812 181 1HG GLU 25 HG1 GLU 25 10.511 -3.960 -7.505 182 2HG GLU 25 HG2 GLU 25 10.426 -5.682 -7.875 183 H LYS 26 HN LYS 26 5.772 -4.887 -7.062 184 HA LYS 26 HA LYS 26 4.479 -2.467 -7.845 185 1HB LYS 26 HB1 LYS 26 3.751 -5.171 -6.801 186 2HB LYS 26 HB2 LYS 26 2.500 -3.930 -6.714 187 1HG LYS 26 HG1 LYS 26 2.097 -4.162 -8.916 188 2HG LYS 26 HG2 LYS 26 3.775 -3.757 -9.276 189 1HD LYS 26 HD1 LYS 26 4.397 -6.138 -8.828 190 2HD LYS 26 HD2 LYS 26 2.687 -6.509 -8.610 191 1HE LYS 26 HE1 LYS 26 3.088 -7.049 -10.889 192 2HE LYS 26 HE2 LYS 26 2.401 -5.416 -10.976 193 1HZ LYS 26 HZ1 LYS 26 5.307 -6.029 -10.782 194 2HZ LYS 26 HZ2 LYS 26 4.610 -4.492 -10.979 195 3HZ LYS 26 HZ3 LYS 26 4.507 -5.638 -12.228 196 H GLU 27 HN GLU 27 4.876 -4.014 -4.656 197 HA GLU 27 HA GLU 27 3.544 -1.804 -3.242 198 1HB GLU 27 HB2 GLU 27 5.286 -4.039 -2.149 199 2HB GLU 27 HB1 GLU 27 4.031 -3.145 -1.295 200 1HG GLU 27 HG2 GLU 27 2.362 -4.088 -2.943 201 2HG GLU 27 HG1 GLU 27 3.650 -5.118 -3.564 202 H LYS 28 HN LYS 28 6.845 -3.110 -3.542 203 HA LYS 28 HA LYS 28 8.292 -1.239 -2.004 204 1HB LYS 28 HB1 LYS 28 8.762 -3.390 -3.621 205 2HB LYS 28 HB2 LYS 28 9.404 -2.095 -4.625 206 1HG LYS 28 HG1 LYS 28 10.532 -1.366 -2.327 207 2HG LYS 28 HG2 LYS 28 10.354 -3.077 -1.966 208 1HD LYS 28 HD2 LYS 28 12.197 -3.481 -3.184 209 2HD LYS 28 HD1 LYS 28 11.304 -2.964 -4.616 210 1HE LYS 28 HE1 LYS 28 12.111 -0.654 -3.110 211 2HE LYS 28 HE2 LYS 28 13.528 -1.667 -3.440 212 1HZ LYS 28 HZ1 LYS 28 12.756 -0.048 -5.265 213 2HZ LYS 28 HZ2 LYS 28 11.489 -1.150 -5.521 214 3HZ LYS 28 HZ3 LYS 28 13.101 -1.648 -5.717 215 H GLU 29 HN GLU 29 7.691 -1.124 -5.540 216 HA GLU 29 HA GLU 29 8.663 1.540 -5.936 217 1HB GLU 29 HB1 GLU 29 8.170 -0.307 -7.631 218 2HB GLU 29 HB2 GLU 29 6.461 0.088 -7.445 219 1HG GLU 29 HG1 GLU 29 6.989 2.450 -8.085 220 2HG GLU 29 HG2 GLU 29 8.654 1.956 -8.393 221 H LEU 30 HN LEU 30 5.509 0.232 -4.996 222 HA LEU 30 HA LEU 30 3.924 2.581 -5.265 223 1HB LEU 30 HB1 LEU 30 3.883 -0.017 -3.877 224 2HB LEU 30 HB2 LEU 30 3.002 1.238 -3.008 225 HG LEU 30 HG LEU 30 2.608 0.741 -5.966 226 1HD1 LEU 30 HD21 LEU 30 1.880 -0.980 -3.813 227 2HD1 LEU 30 HD22 LEU 30 1.406 -1.107 -5.507 228 3HD1 LEU 30 HD23 LEU 30 0.409 -0.190 -4.378 229 1HD2 LEU 30 HD11 LEU 30 1.415 2.642 -5.719 230 2HD2 LEU 30 HD12 LEU 30 1.585 2.596 -3.965 231 3HD2 LEU 30 HD13 LEU 30 0.282 1.701 -4.748 232 H CYS 31 HN CYS 31 6.115 1.490 -2.679 233 HA CYS 31 HA CYS 31 5.456 3.758 -0.922 234 1HB CYS 31 HB2 CYS 31 6.954 1.261 -0.909 235 2HB CYS 31 HB1 CYS 31 7.920 2.563 -0.217 236 HG CYS 31 HG CYS 31 6.238 1.379 1.570 237 H GLN 32 HN GLN 32 7.868 2.982 -3.381 238 HA GLN 32 HA GLN 32 9.728 5.103 -2.772 239 1HB GLN 32 HB2 GLN 32 9.048 3.453 -5.224 240 2HB GLN 32 HB1 GLN 32 10.385 4.604 -5.202 241 1HG GLN 32 HG1 GLN 32 10.787 3.188 -2.867 242 2HG GLN 32 HG2 GLN 32 10.181 1.944 -3.962 243 1HE2 GLN 32 HE21 GLN 32 12.819 1.648 -3.245 244 2HE2 GLN 32 HE22 GLN 32 13.850 2.104 -4.514 245 H VAL 33 HN VAL 33 6.637 5.024 -4.350 246 HA VAL 33 HA VAL 33 7.031 7.616 -5.729 247 HB VAL 33 HB VAL 33 4.649 5.757 -5.359 248 1HG1 VAL 33 HG11 VAL 33 4.908 7.805 -7.539 249 2HG1 VAL 33 HG12 VAL 33 4.344 8.306 -5.945 250 3HG1 VAL 33 HG13 VAL 33 3.450 7.087 -6.853 251 1HG2 VAL 33 HG21 VAL 33 6.335 6.154 -7.837 252 2HG2 VAL 33 HG22 VAL 33 5.164 4.875 -7.515 253 3HG2 VAL 33 HG23 VAL 33 6.697 4.907 -6.645 254 H VAL 34 HN VAL 34 4.703 6.262 -3.386 255 HA VAL 34 HA VAL 34 4.281 8.968 -2.243 256 HB VAL 34 HB VAL 34 2.563 7.665 -0.868 257 1HG1 VAL 34 HG21 VAL 34 1.466 8.707 -2.562 258 2HG1 VAL 34 HG22 VAL 34 1.315 7.072 -3.208 259 3HG1 VAL 34 HG23 VAL 34 2.599 8.136 -3.786 260 1HG2 VAL 34 HG11 VAL 34 2.820 5.464 -2.870 261 2HG2 VAL 34 HG12 VAL 34 2.136 5.429 -1.246 262 3HG2 VAL 34 HG13 VAL 34 3.888 5.446 -1.465 263 H ARG 35 HN ARG 35 6.424 9.138 -1.357 264 HA ARG 35 HA ARG 35 8.039 7.620 0.161 265 1HB ARG 35 HB1 ARG 35 7.951 10.176 -0.266 266 2HB ARG 35 HB2 ARG 35 7.061 10.265 1.253 267 1HG ARG 35 HG2 ARG 35 9.630 8.720 1.167 268 2HG ARG 35 HG1 ARG 35 9.696 10.481 1.245 269 1HD ARG 35 HD1 ARG 35 7.775 9.852 3.150 270 2HD ARG 35 HD2 ARG 35 8.976 8.561 3.342 271 HE ARG 35 HE ARG 35 10.320 11.072 3.000 272 1HH1 ARG 35 HH22 ARG 35 8.409 9.293 5.302 273 2HH1 ARG 35 HH21 ARG 35 9.125 10.076 6.668 274 1HH2 ARG 35 HH11 ARG 35 11.235 12.075 4.788 275 2HH2 ARG 35 HH12 ARG 35 10.713 11.640 6.381 276 H LEU 36 HN LEU 36 7.032 5.892 1.279 277 HA LEU 36 HA LEU 36 5.692 6.667 3.845 278 1HB LEU 36 HB1 LEU 36 4.629 5.337 1.533 279 2HB LEU 36 HB2 LEU 36 4.704 4.163 2.838 280 HG LEU 36 HG LEU 36 3.742 6.439 4.099 281 1HD1 LEU 36 HD11 LEU 36 3.025 6.452 1.222 282 2HD1 LEU 36 HD12 LEU 36 3.063 7.784 2.378 283 3HD1 LEU 36 HD13 LEU 36 1.681 6.688 2.339 284 1HD2 LEU 36 HD21 LEU 36 1.552 4.844 3.123 285 2HD2 LEU 36 HD22 LEU 36 2.259 4.870 4.739 286 3HD2 LEU 36 HD23 LEU 36 2.913 3.790 3.507 287 H VAL 37 HN VAL 37 5.558 4.450 5.205 288 HA VAL 37 HA VAL 37 8.285 3.219 5.061 289 HB VAL 37 HB VAL 37 7.710 2.654 7.524 290 1HG1 VAL 37 HG21 VAL 37 8.544 4.774 8.262 291 2HG1 VAL 37 HG22 VAL 37 7.872 5.600 6.857 292 3HG1 VAL 37 HG23 VAL 37 9.238 4.501 6.664 293 1HG2 VAL 37 HG11 VAL 37 5.846 3.498 8.511 294 2HG2 VAL 37 HG12 VAL 37 5.218 3.500 6.865 295 3HG2 VAL 37 HG13 VAL 37 5.885 4.978 7.552 296 HA PRO 38 HA PRO 38 6.538 -0.618 3.997 297 1HB PRO 38 HB1 PRO 38 8.317 -1.945 5.982 298 2HB PRO 38 HB2 PRO 38 8.236 -2.157 4.226 299 1HG PRO 38 HG2 PRO 38 10.259 -0.846 5.352 300 2HG PRO 38 HG1 PRO 38 9.568 -0.315 3.813 301 1HD PRO 38 HD2 PRO 38 9.146 0.798 6.560 302 2HD PRO 38 HD1 PRO 38 9.387 1.649 5.023 303 H GLY 39 HN GLY 39 7.320 -0.981 7.485 304 1HA GLY 39 HA1 GLY 39 5.304 -2.765 8.169 305 2HA GLY 39 HA2 GLY 39 5.918 -1.554 9.290 306 H ALA 40 HN ALA 40 4.981 0.729 7.702 307 HA ALA 40 HA ALA 40 2.235 0.820 8.699 308 1HB ALA 40 HB1 ALA 40 4.121 2.648 8.419 309 2HB ALA 40 HB2 ALA 40 2.427 3.096 8.230 310 3HB ALA 40 HB3 ALA 40 3.428 2.816 6.805 311 H TYR 41 HN TYR 41 3.696 1.094 5.434 312 HA TYR 41 HA TYR 41 1.310 1.034 3.908 313 1HB TYR 41 HB2 TYR 41 3.798 1.385 3.269 314 2HB TYR 41 HB1 TYR 41 3.898 -0.373 3.193 315 HD1 TYR 41 HD1 TYR 41 1.824 -1.489 1.862 316 HD2 TYR 41 HD2 TYR 41 3.322 2.495 1.280 317 HE1 TYR 41 HE1 TYR 41 0.841 -1.451 -0.414 318 HE2 TYR 41 HE2 TYR 41 2.339 2.532 -0.996 319 HH TYR 41 HH TYR 41 0.091 0.919 -2.053 320 H LEU 42 HN LEU 42 3.339 -1.641 5.107 321 HA LEU 42 HA LEU 42 1.896 -3.837 4.040 322 1HB LEU 42 HB1 LEU 42 3.625 -3.265 6.434 323 2HB LEU 42 HB2 LEU 42 2.830 -4.835 6.322 324 HG LEU 42 HG LEU 42 4.009 -4.114 3.776 325 1HD1 LEU 42 HD21 LEU 42 5.572 -3.526 6.192 326 2HD1 LEU 42 HD22 LEU 42 5.882 -3.071 4.517 327 3HD1 LEU 42 HD23 LEU 42 6.373 -4.660 5.104 328 1HD2 LEU 42 HD11 LEU 42 3.344 -6.384 4.572 329 2HD2 LEU 42 HD12 LEU 42 4.654 -6.321 5.753 330 3HD2 LEU 42 HD13 LEU 42 5.021 -6.321 4.028 331 H GLU 43 HN GLU 43 1.366 -1.901 6.975 332 HA GLU 43 HA GLU 43 -0.730 -3.527 8.082 333 1HB GLU 43 HB2 GLU 43 0.729 -1.152 8.650 334 2HB GLU 43 HB1 GLU 43 -0.980 -0.720 8.715 335 1HG GLU 43 HG2 GLU 43 -0.265 -1.492 10.917 336 2HG GLU 43 HG1 GLU 43 -1.371 -2.676 10.220 337 H TYR 44 HN TYR 44 -1.070 -0.281 6.563 338 HA TYR 44 HA TYR 44 -3.849 -0.278 6.292 339 1HB TYR 44 HB2 TYR 44 -1.802 0.816 4.321 340 2HB TYR 44 HB1 TYR 44 -3.453 1.391 4.535 341 HD1 TYR 44 HD1 TYR 44 -0.334 2.453 5.147 342 HD2 TYR 44 HD2 TYR 44 -3.858 1.449 7.386 343 HE1 TYR 44 HE1 TYR 44 0.411 3.940 6.987 344 HE2 TYR 44 HE2 TYR 44 -3.116 2.934 9.225 345 HH TYR 44 HH TYR 44 -1.633 4.910 9.507 346 H LYS 45 HN LYS 45 -1.514 -1.436 3.809 347 HA LYS 45 HA LYS 45 -3.273 -2.326 1.836 348 1HB LYS 45 HB2 LYS 45 -0.598 -2.516 2.411 349 2HB LYS 45 HB1 LYS 45 -1.097 -4.201 2.548 350 1HG LYS 45 HG1 LYS 45 -2.406 -3.327 0.258 351 2HG LYS 45 HG2 LYS 45 -0.839 -2.523 0.163 352 1HD LYS 45 HD1 LYS 45 0.298 -4.487 -0.108 353 2HD LYS 45 HD2 LYS 45 -0.768 -5.371 0.984 354 1HE LYS 45 HE2 LYS 45 -2.344 -5.806 -0.703 355 2HE LYS 45 HE1 LYS 45 -1.793 -4.446 -1.699 356 1HZ LYS 45 HZ1 LYS 45 -0.935 -6.533 -2.569 357 2HZ LYS 45 HZ2 LYS 45 -0.234 -6.903 -1.067 358 3HZ LYS 45 HZ3 LYS 45 0.341 -5.585 -1.972 359 H SER 46 HN SER 46 -2.269 -4.125 4.761 360 HA SER 46 HA SER 46 -3.926 -6.437 4.200 361 1HB SER 46 HB1 SER 46 -2.054 -5.423 6.196 362 2HB SER 46 HB2 SER 46 -3.402 -6.269 6.954 363 HG SER 46 HG SER 46 -1.444 -7.213 5.210 364 H ALA 47 HN ALA 47 -4.689 -3.282 5.275 365 HA ALA 47 HA ALA 47 -6.950 -4.056 6.992 366 1HB ALA 47 HB1 ALA 47 -6.176 -1.379 5.775 367 2HB ALA 47 HB2 ALA 47 -5.477 -2.008 7.267 368 3HB ALA 47 HB3 ALA 47 -7.200 -1.639 7.187 369 H LEU 48 HN LEU 48 -6.321 -3.077 3.671 370 HA LEU 48 HA LEU 48 -9.140 -2.703 2.988 371 1HB LEU 48 HB2 LEU 48 -6.723 -3.202 1.211 372 2HB LEU 48 HB1 LEU 48 -8.235 -2.454 0.728 373 HG LEU 48 HG LEU 48 -7.172 -0.495 1.088 374 1HD1 LEU 48 HD11 LEU 48 -7.458 0.492 3.170 375 2HD1 LEU 48 HD12 LEU 48 -6.997 -0.970 4.041 376 3HD1 LEU 48 HD13 LEU 48 -8.581 -0.863 3.274 377 1HD2 LEU 48 HD21 LEU 48 -5.092 -0.569 2.772 378 2HD2 LEU 48 HD22 LEU 48 -4.975 -1.053 1.081 379 3HD2 LEU 48 HD23 LEU 48 -5.171 -2.276 2.335 380 H LEU 49 HN LEU 49 -6.678 -5.240 2.558 381 HA LEU 49 HA LEU 49 -8.338 -7.087 1.110 382 1HB LEU 49 HB2 LEU 49 -5.714 -6.895 2.245 383 2HB LEU 49 HB1 LEU 49 -6.429 -8.402 2.816 384 HG LEU 49 HG LEU 49 -5.244 -8.728 0.670 385 1HD1 LEU 49 HD21 LEU 49 -6.875 -10.323 0.653 386 2HD1 LEU 49 HD22 LEU 49 -7.574 -9.322 -0.620 387 3HD1 LEU 49 HD23 LEU 49 -8.147 -9.165 1.041 388 1HD2 LEU 49 HD11 LEU 49 -6.966 -7.535 -1.190 389 2HD2 LEU 49 HD12 LEU 49 -5.322 -7.023 -0.807 390 3HD2 LEU 49 HD13 LEU 49 -6.692 -6.287 0.026 391 H ASN 50 HN ASN 50 -7.780 -6.523 4.577 392 HA ASN 50 HA ASN 50 -9.300 -8.804 5.497 393 1HB ASN 50 HB2 ASN 50 -7.576 -7.616 6.809 394 2HB ASN 50 HB1 ASN 50 -8.560 -6.152 6.791 395 1HD2 ASN 50 HD21 ASN 50 -9.417 -9.609 7.403 396 2HD2 ASN 50 HD22 ASN 50 -10.147 -9.312 8.906 397 H GLU 51 HN GLU 51 -10.109 -5.303 5.641 398 HA GLU 51 HA GLU 51 -12.815 -5.596 6.399 399 1HB GLU 51 HB2 GLU 51 -11.001 -3.575 5.723 400 2HB GLU 51 HB1 GLU 51 -12.294 -3.394 4.538 401 1HG GLU 51 HG2 GLU 51 -13.383 -2.249 6.165 402 2HG GLU 51 HG1 GLU 51 -13.688 -3.832 6.883 403 H CYS 52 HN CYS 52 -11.526 -5.108 3.080 404 HA CYS 52 HA CYS 52 -13.943 -5.270 1.664 405 1HB CYS 52 HB1 CYS 52 -11.768 -4.668 0.701 406 2HB CYS 52 HB2 CYS 52 -11.166 -6.298 0.978 407 HG CYS 52 HG CYS 52 -13.518 -5.731 -1.010 408 H HIS 53 HN HIS 53 -11.843 -7.951 2.756 409 HA HIS 53 HA HIS 53 -13.524 -10.019 1.581 410 1HB HIS 53 HB1 HIS 53 -11.003 -9.992 2.260 411 2HB HIS 53 HB2 HIS 53 -11.595 -10.342 3.884 412 HD1 HIS 53 HD1 HIS 53 -13.842 -12.295 3.352 413 HD2 HIS 53 HD2 HIS 53 -10.208 -12.474 1.318 414 HE1 HIS 53 HE1 HIS 53 -13.619 -14.666 2.492 415 H LYS 54 HN LYS 54 -13.457 -8.268 4.611 416 HA LYS 54 HA LYS 54 -15.123 -10.140 6.098 417 1HB LYS 54 HB1 LYS 54 -13.480 -7.946 6.584 418 2HB LYS 54 HB2 LYS 54 -15.087 -7.320 6.923 419 1HG LYS 54 HG1 LYS 54 -13.776 -9.767 8.149 420 2HG LYS 54 HG2 LYS 54 -14.189 -8.265 8.971 421 1HD LYS 54 HD2 LYS 54 -16.204 -10.146 7.700 422 2HD LYS 54 HD1 LYS 54 -15.836 -10.083 9.422 423 1HE LYS 54 HE2 LYS 54 -16.522 -7.481 8.158 424 2HE LYS 54 HE1 LYS 54 -17.846 -8.647 8.317 425 1HZ LYS 54 HZ1 LYS 54 -15.954 -8.153 10.537 426 2HZ LYS 54 HZ2 LYS 54 -17.512 -8.826 10.603 427 3HZ LYS 54 HZ3 LYS 54 -17.317 -7.162 10.324 428 H GLN 55 HN GLN 55 -15.690 -6.989 4.495 429 HA GLN 55 HA GLN 55 -18.608 -7.248 4.923 430 1HB GLN 55 HB2 GLN 55 -16.640 -5.181 3.993 431 2HB GLN 55 HB1 GLN 55 -18.330 -4.989 3.529 432 1HG GLN 55 HG1 GLN 55 -18.384 -5.692 6.253 433 2HG GLN 55 HG2 GLN 55 -17.079 -4.516 6.102 434 1HE2 GLN 55 HE21 GLN 55 -19.465 -3.806 7.469 435 2HE2 GLN 55 HE22 GLN 55 -20.308 -2.657 6.549 436 H GLY 56 HN GLY 56 -16.285 -7.141 2.212 437 1HA GLY 56 HA2 GLY 56 -16.980 -8.880 0.413 438 2HA GLY 56 HA1 GLY 56 -18.493 -7.974 0.383 439 H GLY 57 HN GLY 57 -18.308 -5.631 -0.182 440 1HA GLY 57 HA2 GLY 57 -15.996 -5.161 -2.025 441 2HA GLY 57 HA1 GLY 57 -17.630 -4.589 -2.367 442 H LEU 58 HN LEU 58 -15.107 -3.024 -2.018 443 HA LEU 58 HA LEU 58 -16.150 -1.172 0.078 444 1HB LEU 58 HB1 LEU 58 -13.863 -2.888 0.239 445 2HB LEU 58 HB2 LEU 58 -13.279 -1.227 0.153 446 HG LEU 58 HG LEU 58 -15.448 -1.069 1.889 447 1HD1 LEU 58 HD21 LEU 58 -15.367 -2.865 3.401 448 2HD1 LEU 58 HD22 LEU 58 -13.790 -3.402 2.823 449 3HD1 LEU 58 HD23 LEU 58 -15.227 -3.668 1.837 450 1HD2 LEU 58 HD11 LEU 58 -13.091 -0.051 1.966 451 2HD2 LEU 58 HD12 LEU 58 -12.605 -1.533 2.788 452 3HD2 LEU 58 HD13 LEU 58 -13.820 -0.481 3.513 453 H ARG 59 HN ARG 59 -16.650 0.544 -1.245 454 HA ARG 59 HA ARG 59 -15.525 1.274 -3.700 455 1HB ARG 59 HB1 ARG 59 -17.458 2.182 -1.969 456 2HB ARG 59 HB2 ARG 59 -16.282 3.493 -1.899 457 1HG ARG 59 HG1 ARG 59 -16.283 3.554 -4.404 458 2HG ARG 59 HG2 ARG 59 -17.574 2.355 -4.391 459 1HD ARG 59 HD2 ARG 59 -18.843 4.012 -2.854 460 2HD ARG 59 HD1 ARG 59 -17.659 5.212 -3.405 461 HE ARG 59 HE ARG 59 -19.773 4.023 -5.032 462 1HH1 ARG 59 HH21 ARG 59 -16.576 5.400 -5.042 463 2HH1 ARG 59 HH22 ARG 59 -16.670 5.883 -6.700 464 1HH2 ARG 59 HH12 ARG 59 -19.870 4.660 -7.184 465 2HH2 ARG 59 HH11 ARG 59 -18.518 5.468 -7.905 466 H LEU 60 HN LEU 60 -14.414 3.638 -3.855 467 HA LEU 60 HA LEU 60 -11.797 3.325 -2.501 468 1HB LEU 60 HB2 LEU 60 -12.155 3.625 -5.003 469 2HB LEU 60 HB1 LEU 60 -12.691 5.267 -4.658 470 HG LEU 60 HG LEU 60 -10.529 5.819 -3.689 471 1HD1 LEU 60 HD11 LEU 60 -8.854 3.681 -4.330 472 2HD1 LEU 60 HD12 LEU 60 -10.263 2.918 -3.595 473 3HD1 LEU 60 HD13 LEU 60 -9.364 4.156 -2.710 474 1HD2 LEU 60 HD21 LEU 60 -9.553 4.391 -6.086 475 2HD2 LEU 60 HD22 LEU 60 -9.524 6.116 -5.714 476 3HD2 LEU 60 HD23 LEU 60 -10.993 5.376 -6.351 477 H ALA 61 HN ALA 61 -14.642 5.339 -2.355 478 HA ALA 61 HA ALA 61 -13.373 7.649 -1.107 479 1HB ALA 61 HB1 ALA 61 -15.509 8.448 -1.312 480 2HB ALA 61 HB2 ALA 61 -16.181 7.075 -0.431 481 3HB ALA 61 HB3 ALA 61 -15.863 6.943 -2.160 482 H GLN 62 HN GLN 62 -15.375 4.951 0.161 483 HA GLN 62 HA GLN 62 -14.980 5.433 2.938 484 1HB GLN 62 HB2 GLN 62 -15.361 2.926 1.262 485 2HB GLN 62 HB1 GLN 62 -15.409 2.911 3.025 486 1HG GLN 62 HG2 GLN 62 -17.077 5.028 1.901 487 2HG GLN 62 HG1 GLN 62 -17.563 3.430 1.335 488 1HE2 GLN 62 HE21 GLN 62 -18.684 5.407 3.498 489 2HE2 GLN 62 HE22 GLN 62 -18.925 4.402 4.845 490 H ALA 63 HN ALA 63 -12.934 4.034 0.461 491 HA ALA 63 HA ALA 63 -10.961 2.783 2.114 492 1HB ALA 63 HB1 ALA 63 -10.625 2.221 -0.079 493 2HB ALA 63 HB2 ALA 63 -9.647 3.686 -0.125 494 3HB ALA 63 HB3 ALA 63 -11.325 3.722 -0.655 495 H ARG 64 HN ARG 64 -11.376 6.098 0.935 496 HA ARG 64 HA ARG 64 -8.886 7.144 1.890 497 1HB ARG 64 HB1 ARG 64 -11.502 8.667 1.838 498 2HB ARG 64 HB2 ARG 64 -9.890 9.278 1.511 499 1HG ARG 64 HG2 ARG 64 -11.616 7.552 -0.249 500 2HG ARG 64 HG1 ARG 64 -10.903 9.114 -0.617 501 1HD ARG 64 HD1 ARG 64 -8.718 7.452 0.002 502 2HD ARG 64 HD2 ARG 64 -9.777 6.465 -1.021 503 HE ARG 64 HE ARG 64 -8.298 8.798 -1.872 504 1HH1 ARG 64 HH11 ARG 64 -11.404 7.267 -2.213 505 2HH1 ARG 64 HH12 ARG 64 -11.703 7.981 -3.756 506 1HH2 ARG 64 HH21 ARG 64 -8.707 9.698 -3.877 507 2HH2 ARG 64 HH22 ARG 64 -10.192 9.342 -4.695 508 H ALA 65 HN ALA 65 -12.070 6.784 3.416 509 HA ALA 65 HA ALA 65 -11.124 7.956 5.949 510 1HB ALA 65 HB1 ALA 65 -13.657 6.437 5.842 511 2HB ALA 65 HB2 ALA 65 -13.521 7.703 4.622 512 3HB ALA 65 HB3 ALA 65 -13.375 8.108 6.332 513 H LEU 66 HN LEU 66 -10.629 4.963 4.553 514 HA LEU 66 HA LEU 66 -11.130 3.357 6.979 515 1HB LEU 66 HB2 LEU 66 -11.056 2.957 4.199 516 2HB LEU 66 HB1 LEU 66 -9.647 2.091 4.809 517 HG LEU 66 HG LEU 66 -11.636 0.632 4.798 518 1HD1 LEU 66 HD11 LEU 66 -11.137 1.297 7.686 519 2HD1 LEU 66 HD12 LEU 66 -9.814 0.694 6.689 520 3HD1 LEU 66 HD13 LEU 66 -11.263 -0.285 6.915 521 1HD2 LEU 66 HD21 LEU 66 -12.982 1.985 7.020 522 2HD2 LEU 66 HD22 LEU 66 -13.663 1.313 5.539 523 3HD2 LEU 66 HD23 LEU 66 -12.985 2.941 5.538 524 H ILE 67 HN ILE 67 -8.239 3.398 4.867 525 HA ILE 67 HA ILE 67 -6.570 2.930 7.264 526 HB ILE 67 HB ILE 67 -4.824 2.501 5.502 527 1HG1 ILE 67 HG11 ILE 67 -7.042 2.740 3.479 528 2HG1 ILE 67 HG12 ILE 67 -6.039 4.133 3.880 529 1HG2 ILE 67 HG21 ILE 67 -6.349 0.720 6.365 530 2HG2 ILE 67 HG22 ILE 67 -5.823 0.434 4.706 531 3HG2 ILE 67 HG23 ILE 67 -7.444 1.055 5.024 532 1HD1 ILE 67 HD11 ILE 67 -4.031 2.966 3.219 533 2HD1 ILE 67 HD12 ILE 67 -5.204 2.777 1.915 534 3HD1 ILE 67 HD13 ILE 67 -4.913 1.449 3.038 535 H LYS 68 HN LYS 68 -4.246 3.968 6.812 536 HA LYS 68 HA LYS 68 -3.043 5.931 7.251 537 1HB LYS 68 HB2 LYS 68 -4.469 6.296 4.628 538 2HB LYS 68 HB1 LYS 68 -3.220 7.419 5.177 539 1HG LYS 68 HG1 LYS 68 -2.162 4.867 5.684 540 2HG LYS 68 HG2 LYS 68 -2.912 4.734 4.103 541 1HD LYS 68 HD1 LYS 68 -1.194 5.873 3.184 542 2HD LYS 68 HD2 LYS 68 -1.519 7.240 4.249 543 1HE LYS 68 HE1 LYS 68 0.078 4.801 5.100 544 2HE LYS 68 HE2 LYS 68 0.804 6.314 4.524 545 1HZ LYS 68 HZ1 LYS 68 0.628 6.563 6.844 546 2HZ LYS 68 HZ2 LYS 68 -0.933 5.894 6.891 547 3HZ LYS 68 HZ3 LYS 68 -0.689 7.435 6.220 548 H ILE 69 HN ILE 69 -4.453 8.573 5.988 549 HA ILE 69 HA ILE 69 -6.366 9.010 8.216 550 HB ILE 69 HB ILE 69 -5.060 10.860 9.109 551 1HG1 ILE 69 HG12 ILE 69 -4.092 11.590 6.908 552 2HG1 ILE 69 HG11 ILE 69 -2.931 11.553 8.226 553 1HG2 ILE 69 HG21 ILE 69 -3.189 9.653 10.031 554 2HG2 ILE 69 HG22 ILE 69 -3.195 8.518 8.682 555 3HG2 ILE 69 HG23 ILE 69 -4.526 8.520 9.839 556 1HD1 ILE 69 HD11 ILE 69 -2.708 9.001 7.188 557 2HD1 ILE 69 HD12 ILE 69 -1.637 10.346 6.811 558 3HD1 ILE 69 HD13 ILE 69 -2.991 9.971 5.746 559 H ASP 70 HN ASP 70 -4.833 10.374 5.283 560 HA ASP 70 HA ASP 70 -6.888 12.510 5.249 561 1HB ASP 70 HB1 ASP 70 -4.216 11.983 4.109 562 2HB ASP 70 HB2 ASP 70 -5.300 12.881 3.048 563 H VAL 71 HN VAL 71 -5.656 11.180 2.227 564 HA VAL 71 HA VAL 71 -7.968 9.565 1.599 565 HB VAL 71 HB VAL 71 -9.032 11.784 1.802 566 1HG1 VAL 71 HG21 VAL 71 -6.778 12.926 1.164 567 2HG1 VAL 71 HG22 VAL 71 -8.283 13.690 0.646 568 3HG1 VAL 71 HG23 VAL 71 -7.337 12.737 -0.498 569 1HG2 VAL 71 HG11 VAL 71 -9.206 11.818 -1.049 570 2HG2 VAL 71 HG12 VAL 71 -10.356 11.138 0.103 571 3HG2 VAL 71 HG13 VAL 71 -9.051 10.139 -0.534 572 H ASN 72 HN ASN 72 -5.483 11.773 0.273 573 HA ASN 72 HA ASN 72 -5.335 10.469 -2.319 574 1HB ASN 72 HB1 ASN 72 -4.272 12.724 -0.957 575 2HB ASN 72 HB2 ASN 72 -2.884 11.746 -1.432 576 1HD2 ASN 72 HD21 ASN 72 -2.439 13.574 -3.012 577 2HD2 ASN 72 HD22 ASN 72 -3.275 13.593 -4.489 578 H LYS 73 HN LYS 73 -3.549 10.252 0.731 579 HA LYS 73 HA LYS 73 -1.526 8.409 0.135 580 1HB LYS 73 HB2 LYS 73 -3.270 9.136 2.447 581 2HB LYS 73 HB1 LYS 73 -2.320 7.668 2.600 582 1HG LYS 73 HG2 LYS 73 -1.044 9.569 3.468 583 2HG LYS 73 HG1 LYS 73 -0.272 8.955 2.007 584 1HD LYS 73 HD1 LYS 73 -0.349 11.371 1.850 585 2HD LYS 73 HD2 LYS 73 -1.524 10.724 0.707 586 1HE LYS 73 HE2 LYS 73 -3.004 12.134 1.724 587 2HE LYS 73 HE1 LYS 73 -3.000 10.953 3.046 588 1HZ LYS 73 HZ1 LYS 73 -1.038 13.170 2.744 589 2HZ LYS 73 HZ2 LYS 73 -1.141 12.084 4.046 590 3HZ LYS 73 HZ3 LYS 73 -2.380 13.215 3.785 591 H THR 74 HN THR 74 -4.846 7.673 1.232 592 HA THR 74 HA THR 74 -4.617 4.831 0.815 593 HB THR 74 HB THR 74 -7.010 6.701 0.976 594 HG1 THR 74 HG1 THR 74 -6.951 6.054 3.175 595 1HG2 THR 74 HG21 THR 74 -6.825 3.901 0.442 596 2HG2 THR 74 HG22 THR 74 -8.277 4.866 0.693 597 3HG2 THR 74 HG23 THR 74 -7.478 4.101 2.067 598 H ARG 75 HN ARG 75 -5.826 7.521 -1.182 599 HA ARG 75 HA ARG 75 -7.123 6.190 -3.257 600 1HB ARG 75 HB2 ARG 75 -6.740 8.667 -2.946 601 2HB ARG 75 HB1 ARG 75 -5.085 8.437 -3.500 602 1HG ARG 75 HG2 ARG 75 -6.488 7.183 -5.485 603 2HG ARG 75 HG1 ARG 75 -7.598 8.481 -5.047 604 1HD ARG 75 HD2 ARG 75 -6.173 10.125 -5.806 605 2HD ARG 75 HD1 ARG 75 -4.722 9.229 -5.320 606 HE ARG 75 HE ARG 75 -6.122 7.822 -7.414 607 1HH1 ARG 75 HH12 ARG 75 -4.071 10.570 -6.814 608 2HH1 ARG 75 HH11 ARG 75 -3.403 10.558 -8.409 609 1HH2 ARG 75 HH21 ARG 75 -5.240 7.828 -9.478 610 2HH2 ARG 75 HH22 ARG 75 -4.058 9.019 -9.907 611 H LYS 76 HN LYS 76 -3.649 6.413 -2.631 612 HA LYS 76 HA LYS 76 -2.988 5.106 -5.175 613 1HB LYS 76 HB2 LYS 76 -1.321 5.920 -2.768 614 2HB LYS 76 HB1 LYS 76 -0.691 5.455 -4.347 615 1HG LYS 76 HG1 LYS 76 -1.300 7.435 -5.328 616 2HG LYS 76 HG2 LYS 76 -2.776 7.574 -4.369 617 1HD LYS 76 HD1 LYS 76 -1.766 8.902 -2.863 618 2HD LYS 76 HD2 LYS 76 -0.402 7.800 -2.705 619 1HE LYS 76 HE1 LYS 76 0.379 9.967 -3.588 620 2HE LYS 76 HE2 LYS 76 0.518 8.739 -4.860 621 1HZ LYS 76 HZ1 LYS 76 -1.899 10.421 -4.469 622 2HZ LYS 76 HZ2 LYS 76 -1.540 9.420 -5.792 623 3HZ LYS 76 HZ3 LYS 76 -0.649 10.843 -5.537 624 H ILE 77 HN ILE 77 -2.725 4.242 -1.684 625 HA ILE 77 HA ILE 77 -1.736 1.579 -2.133 626 HB ILE 77 HB ILE 77 -3.419 2.834 0.070 627 1HG1 ILE 77 HG11 ILE 77 -0.442 2.299 -0.177 628 2HG1 ILE 77 HG12 ILE 77 -1.218 3.879 -0.259 629 1HG2 ILE 77 HG21 ILE 77 -1.896 0.726 1.121 630 2HG2 ILE 77 HG22 ILE 77 -2.592 0.079 -0.365 631 3HG2 ILE 77 HG23 ILE 77 -3.644 0.742 0.886 632 1HD1 ILE 77 HD11 ILE 77 -2.223 3.135 2.083 633 2HD1 ILE 77 HD12 ILE 77 -0.611 3.844 1.978 634 3HD1 ILE 77 HD13 ILE 77 -0.799 2.095 2.108 635 H TYR 78 HN TYR 78 -5.051 2.716 -1.423 636 HA TYR 78 HA TYR 78 -6.381 0.245 -1.824 637 1HB TYR 78 HB2 TYR 78 -6.975 2.946 -1.244 638 2HB TYR 78 HB1 TYR 78 -7.933 2.547 -2.667 639 HD1 TYR 78 HD1 TYR 78 -9.318 0.373 -2.613 640 HD2 TYR 78 HD2 TYR 78 -7.627 2.188 0.892 641 HE1 TYR 78 HE1 TYR 78 -10.900 -0.900 -1.187 642 HE2 TYR 78 HE2 TYR 78 -9.211 0.919 2.315 643 HH TYR 78 HH TYR 78 -10.987 -1.707 1.180 644 H ASP 79 HN ASP 79 -5.724 2.901 -4.185 645 HA ASP 79 HA ASP 79 -7.130 1.812 -6.388 646 1HB ASP 79 HB2 ASP 79 -6.172 4.015 -6.471 647 2HB ASP 79 HB1 ASP 79 -4.552 3.398 -6.148 648 H PHE 80 HN PHE 80 -3.910 0.995 -5.121 649 HA PHE 80 HA PHE 80 -3.081 -0.722 -7.254 650 1HB PHE 80 HB1 PHE 80 -1.594 0.125 -5.493 651 2HB PHE 80 HB2 PHE 80 -2.519 -0.737 -4.264 652 HD1 PHE 80 HD1 PHE 80 -1.387 -1.808 -7.669 653 HD2 PHE 80 HD2 PHE 80 -1.125 -2.434 -3.427 654 HE1 PHE 80 HE1 PHE 80 -0.009 -3.834 -8.053 655 HE2 PHE 80 HE2 PHE 80 0.252 -4.459 -3.812 656 HZ PHE 80 HZ PHE 80 0.811 -5.159 -6.125 657 H LEU 81 HN LEU 81 -4.862 -1.399 -4.219 658 HA LEU 81 HA LEU 81 -5.175 -4.234 -4.795 659 1HB LEU 81 HB2 LEU 81 -6.733 -2.360 -2.974 660 2HB LEU 81 HB1 LEU 81 -6.675 -4.117 -2.842 661 HG LEU 81 HG LEU 81 -4.015 -2.872 -2.920 662 1HD1 LEU 81 HD21 LEU 81 -4.916 -2.485 -0.240 663 2HD1 LEU 81 HD22 LEU 81 -6.025 -1.624 -1.307 664 3HD1 LEU 81 HD23 LEU 81 -4.297 -1.274 -1.363 665 1HD2 LEU 81 HD11 LEU 81 -5.514 -4.975 -1.409 666 2HD2 LEU 81 HD12 LEU 81 -4.053 -4.308 -0.678 667 3HD2 LEU 81 HD13 LEU 81 -3.972 -5.089 -2.258 668 H ILE 82 HN ILE 82 -7.168 -1.353 -5.348 669 HA ILE 82 HA ILE 82 -9.571 -2.715 -6.165 670 HB ILE 82 HB ILE 82 -8.381 0.025 -6.742 671 1HG1 ILE 82 HG11 ILE 82 -8.843 -0.590 -4.341 672 2HG1 ILE 82 HG12 ILE 82 -9.753 0.803 -4.918 673 1HG2 ILE 82 HG21 ILE 82 -10.075 -0.500 -8.427 674 2HG2 ILE 82 HG22 ILE 82 -10.711 0.698 -7.300 675 3HG2 ILE 82 HG23 ILE 82 -11.209 -0.988 -7.168 676 1HD1 ILE 82 HD11 ILE 82 -10.810 -1.500 -3.717 677 2HD1 ILE 82 HD12 ILE 82 -11.193 -1.672 -5.430 678 3HD1 ILE 82 HD13 ILE 82 -11.718 -0.237 -4.548 679 H ARG 83 HN ARG 83 -7.114 -0.996 -8.117 680 HA ARG 83 HA ARG 83 -8.066 -1.824 -10.657 681 1HB ARG 83 HB1 ARG 83 -5.531 -0.778 -9.460 682 2HB ARG 83 HB2 ARG 83 -5.475 -1.347 -11.120 683 1HG ARG 83 HG2 ARG 83 -5.976 1.090 -10.942 684 2HG ARG 83 HG1 ARG 83 -7.257 0.181 -11.726 685 1HD ARG 83 HD1 ARG 83 -8.511 0.109 -9.569 686 2HD ARG 83 HD2 ARG 83 -7.245 1.110 -8.829 687 HE ARG 83 HE ARG 83 -8.082 2.959 -10.049 688 1HH1 ARG 83 HH12 ARG 83 -9.270 -0.037 -11.366 689 2HH1 ARG 83 HH11 ARG 83 -10.342 0.748 -12.472 690 1HH2 ARG 83 HH22 ARG 83 -9.483 3.953 -11.494 691 2HH2 ARG 83 HH21 ARG 83 -10.464 2.989 -12.546 692 H GLU 84 HN GLU 84 -5.892 -3.445 -8.374 693 HA GLU 84 HA GLU 84 -5.217 -5.551 -10.335 694 1HB GLU 84 HB1 GLU 84 -4.567 -4.997 -7.423 695 2HB GLU 84 HB2 GLU 84 -3.979 -6.423 -8.274 696 1HG GLU 84 HG2 GLU 84 -3.497 -3.560 -9.155 697 2HG GLU 84 HG1 GLU 84 -2.323 -4.565 -8.304 698 H GLY 85 HN GLY 85 -5.344 -7.878 -9.110 699 1HA GLY 85 HA1 GLY 85 -8.231 -8.288 -8.617 700 2HA GLY 85 HA2 GLY 85 -7.042 -9.560 -8.899 701 H TYR 86 HN TYR 86 -7.850 -7.037 -6.491 702 HA TYR 86 HA TYR 86 -7.038 -8.989 -4.363 703 1HB TYR 86 HB1 TYR 86 -6.255 -6.179 -4.965 704 2HB TYR 86 HB2 TYR 86 -6.518 -6.558 -3.263 705 HD1 TYR 86 HD1 TYR 86 -5.400 -8.775 -2.398 706 HD2 TYR 86 HD2 TYR 86 -4.187 -6.675 -5.943 707 HE1 TYR 86 HE1 TYR 86 -3.189 -9.893 -2.303 708 HE2 TYR 86 HE2 TYR 86 -1.975 -7.793 -5.849 709 HH TYR 86 HH TYR 86 -0.618 -8.981 -3.503 710 H ILE 87 HN ILE 87 -8.599 -5.760 -4.523 711 HA ILE 87 HA ILE 87 -10.803 -6.884 -2.824 712 HB ILE 87 HB ILE 87 -10.888 -4.634 -1.825 713 1HG1 ILE 87 HG11 ILE 87 -8.631 -3.981 -3.746 714 2HG1 ILE 87 HG12 ILE 87 -10.281 -3.367 -3.863 715 1HG2 ILE 87 HG21 ILE 87 -8.083 -4.719 -1.494 716 2HG2 ILE 87 HG22 ILE 87 -8.593 -6.388 -1.755 717 3HG2 ILE 87 HG23 ILE 87 -9.304 -5.443 -0.445 718 1HD1 ILE 87 HD11 ILE 87 -9.140 -1.641 -2.729 719 2HD1 ILE 87 HD12 ILE 87 -8.195 -2.778 -1.767 720 3HD1 ILE 87 HD13 ILE 87 -9.908 -2.547 -1.425 721 H THR 88 HN THR 88 -12.587 -4.774 -3.012 722 HA THR 88 HA THR 88 -13.081 -4.425 -5.941 723 HB THR 88 HB THR 88 -15.583 -4.809 -4.697 724 HG1 THR 88 HG1 THR 88 -14.355 -5.747 -2.955 725 1HG2 THR 88 HG21 THR 88 -14.009 -6.933 -6.161 726 2HG2 THR 88 HG22 THR 88 -14.671 -5.520 -6.981 727 3HG2 THR 88 HG23 THR 88 -15.751 -6.662 -6.183 728 H LYS 89 HN LYS 89 -13.614 -2.338 -6.416 729 HA LYS 89 HA LYS 89 -13.929 -0.378 -4.269 730 1HB LYS 89 HB2 LYS 89 -14.011 1.179 -6.215 731 2HB LYS 89 HB1 LYS 89 -12.652 0.060 -6.330 732 1HG LYS 89 HG1 LYS 89 -13.432 -0.664 -8.311 733 2HG LYS 89 HG2 LYS 89 -14.906 -1.210 -7.511 734 1HD LYS 89 HD1 LYS 89 -15.282 1.524 -7.664 735 2HD LYS 89 HD2 LYS 89 -14.453 1.166 -9.179 736 1HE LYS 89 HE1 LYS 89 -16.150 -0.336 -9.883 737 2HE LYS 89 HE2 LYS 89 -16.804 -0.496 -8.242 738 1HZ LYS 89 HZ1 LYS 89 -16.921 1.843 -10.058 739 2HZ LYS 89 HZ2 LYS 89 -17.135 2.016 -8.382 740 3HZ LYS 89 HZ3 LYS 89 -18.205 1.050 -9.280 741 H ALA 90 HN ALA 90 -15.995 -1.547 -3.487 742 HA ALA 90 HA ALA 90 -18.334 -0.163 -4.677 743 1HB ALA 90 HB1 ALA 90 -19.530 -2.406 -4.725 744 2HB ALA 90 HB2 ALA 90 -17.970 -3.168 -4.413 745 3HB ALA 90 HB3 ALA 90 -18.224 -2.256 -5.901 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 26.276 -9.504 -3.154 2 2H GLY 1 HT2 GLY 1 26.776 -8.026 -2.484 3 3H GLY 1 HT3 GLY 1 26.568 -8.169 -4.163 4 1HA GLY 1 HA2 GLY 1 24.736 -6.980 -2.969 5 2HA GLY 1 HA1 GLY 1 24.238 -8.336 -3.981 6 H SER 2 HN SER 2 25.176 -7.575 -0.618 7 HA SER 2 HA SER 2 22.957 -9.278 0.348 8 1HB SER 2 HB2 SER 2 25.322 -10.478 -0.082 9 2HB SER 2 HB1 SER 2 25.668 -9.801 1.509 10 HG SER 2 HG SER 2 24.726 -11.670 1.997 11 H ASN 3 HN ASN 3 22.458 -6.912 0.933 12 HA ASN 3 HA ASN 3 23.650 -6.310 3.612 13 1HB ASN 3 HB1 ASN 3 23.756 -4.817 1.089 14 2HB ASN 3 HB2 ASN 3 23.107 -3.848 2.411 15 1HD2 ASN 3 HD21 ASN 3 25.957 -4.340 0.935 16 2HD2 ASN 3 HD22 ASN 3 27.024 -4.243 2.252 17 H SER 4 HN SER 4 21.373 -7.540 3.835 18 HA SER 4 HA SER 4 19.187 -7.347 4.700 19 1HB SER 4 HB1 SER 4 19.559 -4.349 4.561 20 2HB SER 4 HB2 SER 4 18.663 -5.289 5.754 21 HG SER 4 HG SER 4 20.535 -4.809 6.744 22 H GLY 5 HN GLY 5 19.473 -4.425 2.631 23 1HA GLY 5 HA1 GLY 5 18.271 -5.301 0.304 24 2HA GLY 5 HA2 GLY 5 16.905 -5.001 1.379 25 H ARG 6 HN ARG 6 19.965 -3.360 0.469 26 HA ARG 6 HA ARG 6 18.453 -0.774 0.511 27 1HB ARG 6 HB1 ARG 6 21.332 -1.593 0.961 28 2HB ARG 6 HB2 ARG 6 20.897 0.091 0.667 29 1HG ARG 6 HG2 ARG 6 19.211 -0.145 2.564 30 2HG ARG 6 HG1 ARG 6 19.977 -1.689 2.937 31 1HD ARG 6 HD1 ARG 6 21.691 -0.642 3.993 32 2HD ARG 6 HD2 ARG 6 21.970 0.411 2.593 33 HE ARG 6 HE ARG 6 19.557 1.096 4.099 34 1HH1 ARG 6 HH22 ARG 6 22.999 1.535 3.813 35 2HH1 ARG 6 HH21 ARG 6 22.982 3.062 4.625 36 1HH2 ARG 6 HH12 ARG 6 19.562 3.078 5.150 37 2HH2 ARG 6 HH11 ARG 6 21.053 3.930 5.377 38 H ARG 7 HN ARG 7 17.928 -0.088 -1.522 39 HA ARG 7 HA ARG 7 19.504 -1.021 -3.854 40 1HB ARG 7 HB2 ARG 7 16.875 0.392 -3.370 41 2HB ARG 7 HB1 ARG 7 17.556 0.283 -4.993 42 1HG ARG 7 HG1 ARG 7 17.714 -2.216 -4.665 43 2HG ARG 7 HG2 ARG 7 16.817 -2.015 -3.160 44 1HD ARG 7 HD1 ARG 7 15.166 -2.536 -4.824 45 2HD ARG 7 HD2 ARG 7 15.047 -0.782 -4.589 46 HE ARG 7 HE ARG 7 17.017 -1.165 -6.558 47 1HH1 ARG 7 HH12 ARG 7 13.638 -1.885 -6.137 48 2HH1 ARG 7 HH11 ARG 7 13.294 -1.791 -7.830 49 1HH2 ARG 7 HH22 ARG 7 16.545 -1.048 -8.752 50 2HH2 ARG 7 HH21 ARG 7 14.925 -1.322 -9.299 51 H SER 8 HN SER 8 21.414 0.245 -3.814 52 HA SER 8 HA SER 8 22.743 2.178 -4.095 53 1HB SER 8 HB1 SER 8 21.025 2.042 -6.077 54 2HB SER 8 HB2 SER 8 20.255 3.413 -5.278 55 HG SER 8 HG SER 8 21.860 3.993 -6.856 56 H ALA 9 HN ALA 9 21.770 4.918 -4.146 57 HA ALA 9 HA ALA 9 21.901 5.636 -1.420 58 1HB ALA 9 HB1 ALA 9 22.287 7.137 -3.341 59 2HB ALA 9 HB2 ALA 9 21.057 7.823 -2.279 60 3HB ALA 9 HB3 ALA 9 20.583 7.029 -3.781 61 HA PRO 10 HA PRO 10 17.900 4.785 0.186 62 1HB PRO 10 HB1 PRO 10 17.579 6.925 1.908 63 2HB PRO 10 HB2 PRO 10 18.593 5.515 2.260 64 1HG PRO 10 HG2 PRO 10 19.383 8.207 1.293 65 2HG PRO 10 HG1 PRO 10 20.190 7.145 2.448 66 1HD PRO 10 HD1 PRO 10 20.985 7.445 -0.123 67 2HD PRO 10 HD2 PRO 10 21.223 5.956 0.800 68 HA PRO 11 HA PRO 11 15.636 7.462 -2.676 69 1HB PRO 11 HB2 PRO 11 13.445 5.552 -2.268 70 2HB PRO 11 HB1 PRO 11 14.294 5.967 -3.765 71 1HG PRO 11 HG1 PRO 11 14.580 3.589 -2.504 72 2HG PRO 11 HG2 PRO 11 15.850 4.329 -3.487 73 1HD PRO 11 HD2 PRO 11 15.596 4.173 -0.525 74 2HD PRO 11 HD1 PRO 11 17.051 4.116 -1.543 75 H LEU 12 HN LEU 12 13.552 5.840 -0.364 76 HA LEU 12 HA LEU 12 12.839 8.492 0.811 77 1HB LEU 12 HB1 LEU 12 11.112 6.307 -0.339 78 2HB LEU 12 HB2 LEU 12 10.459 7.414 0.869 79 HG LEU 12 HG LEU 12 11.694 9.162 -0.829 80 1HD1 LEU 12 HD21 LEU 12 11.038 8.446 -3.126 81 2HD1 LEU 12 HD22 LEU 12 10.599 6.866 -2.477 82 3HD1 LEU 12 HD23 LEU 12 12.277 7.405 -2.423 83 1HD2 LEU 12 HD11 LEU 12 8.918 8.113 -0.514 84 2HD2 LEU 12 HD12 LEU 12 9.233 9.151 -1.904 85 3HD2 LEU 12 HD13 LEU 12 9.535 9.748 -0.273 86 H ASN 13 HN ASN 13 11.132 5.586 1.724 87 HA ASN 13 HA ASN 13 12.777 5.450 4.221 88 1HB ASN 13 HB1 ASN 13 10.585 6.620 4.454 89 2HB ASN 13 HB2 ASN 13 9.771 5.168 3.872 90 1HD2 ASN 13 HD22 ASN 13 9.596 3.354 5.332 91 2HD2 ASN 13 HD21 ASN 13 10.047 3.456 6.965 92 H LEU 14 HN LEU 14 11.274 3.698 1.639 93 HA LEU 14 HA LEU 14 10.897 1.146 2.838 94 1HB LEU 14 HB1 LEU 14 10.823 2.386 0.280 95 2HB LEU 14 HB2 LEU 14 11.873 0.978 0.120 96 HG LEU 14 HG LEU 14 10.123 -0.450 1.111 97 1HD1 LEU 14 HD11 LEU 14 8.735 2.210 1.392 98 2HD1 LEU 14 HD12 LEU 14 8.937 0.936 2.595 99 3HD1 LEU 14 HD13 LEU 14 7.797 0.721 1.267 100 1HD2 LEU 14 HD21 LEU 14 9.394 1.289 -1.246 101 2HD2 LEU 14 HD22 LEU 14 8.343 -0.027 -0.720 102 3HD2 LEU 14 HD23 LEU 14 9.990 -0.371 -1.249 103 H THR 15 HN THR 15 13.799 2.638 1.402 104 HA THR 15 HA THR 15 15.482 0.327 1.493 105 HB THR 15 HB THR 15 15.921 2.423 0.240 106 HG1 THR 15 HG1 THR 15 17.672 1.080 0.892 107 1HG2 THR 15 HG21 THR 15 15.065 3.783 2.339 108 2HG2 THR 15 HG22 THR 15 16.279 4.483 1.269 109 3HG2 THR 15 HG23 THR 15 16.768 3.748 2.795 110 H GLY 16 HN GLY 16 16.343 -0.704 3.245 111 1HA GLY 16 HA2 GLY 16 17.551 -0.710 5.347 112 2HA GLY 16 HA1 GLY 16 16.837 0.856 5.727 113 H LEU 17 HN LEU 17 14.668 -1.490 4.416 114 HA LEU 17 HA LEU 17 13.704 -2.154 7.175 115 1HB LEU 17 HB1 LEU 17 12.009 -1.471 4.750 116 2HB LEU 17 HB2 LEU 17 11.433 -1.715 6.392 117 HG LEU 17 HG LEU 17 13.273 0.511 5.470 118 1HD1 LEU 17 HD21 LEU 17 11.308 1.924 6.188 119 2HD1 LEU 17 HD22 LEU 17 10.373 0.437 6.352 120 3HD1 LEU 17 HD23 LEU 17 10.993 0.920 4.772 121 1HD2 LEU 17 HD11 LEU 17 12.206 0.987 8.050 122 2HD2 LEU 17 HD12 LEU 17 13.889 0.668 7.632 123 3HD2 LEU 17 HD13 LEU 17 12.820 -0.666 8.066 124 HA PRO 18 HA PRO 18 13.222 -6.186 5.498 125 1HB PRO 18 HB2 PRO 18 11.103 -7.139 6.976 126 2HB PRO 18 HB1 PRO 18 12.694 -6.791 7.671 127 1HG PRO 18 HG2 PRO 18 10.174 -5.364 8.008 128 2HG PRO 18 HG1 PRO 18 11.661 -5.253 8.955 129 1HD PRO 18 HD2 PRO 18 10.684 -3.481 6.890 130 2HD PRO 18 HD1 PRO 18 12.092 -3.277 7.949 131 H GLY 19 HN GLY 19 9.782 -5.354 6.022 132 1HA GLY 19 HA1 GLY 19 8.665 -6.943 4.052 133 2HA GLY 19 HA2 GLY 19 7.954 -5.412 4.548 134 H THR 20 HN THR 20 10.463 -3.982 3.546 135 HA THR 20 HA THR 20 9.586 -3.017 1.100 136 HB THR 20 HB THR 20 12.448 -3.570 1.956 137 HG1 THR 20 HG1 THR 20 12.219 -1.402 2.784 138 1HG2 THR 20 HG21 THR 20 12.683 -1.302 0.648 139 2HG2 THR 20 HG22 THR 20 11.181 -1.808 -0.124 140 3HG2 THR 20 HG23 THR 20 12.621 -2.817 -0.252 141 H GLU 21 HN GLU 21 11.544 -5.943 1.630 142 HA GLU 21 HA GLU 21 11.812 -6.481 -1.241 143 1HB GLU 21 HB2 GLU 21 12.229 -8.358 1.109 144 2HB GLU 21 HB1 GLU 21 13.004 -8.438 -0.470 145 1HG GLU 21 HG2 GLU 21 13.787 -5.968 0.255 146 2HG GLU 21 HG1 GLU 21 13.610 -6.685 1.858 147 H LYS 22 HN LYS 22 9.631 -7.317 1.366 148 HA LYS 22 HA LYS 22 8.375 -9.610 0.151 149 1HB LYS 22 HB1 LYS 22 7.348 -7.519 2.111 150 2HB LYS 22 HB2 LYS 22 6.642 -9.114 1.857 151 1HG LYS 22 HG2 LYS 22 9.537 -8.766 2.647 152 2HG LYS 22 HG1 LYS 22 8.251 -8.864 3.850 153 1HD LYS 22 HD1 LYS 22 8.263 -10.943 1.715 154 2HD LYS 22 HD2 LYS 22 9.528 -11.049 2.939 155 1HE LYS 22 HE2 LYS 22 7.325 -10.554 4.500 156 2HE LYS 22 HE1 LYS 22 6.625 -11.538 3.200 157 1HZ LYS 22 HZ1 LYS 22 9.028 -12.178 4.835 158 2HZ LYS 22 HZ2 LYS 22 8.532 -13.074 3.480 159 3HZ LYS 22 HZ3 LYS 22 7.541 -12.998 4.857 160 H LEU 23 HN LEU 23 8.137 -6.168 -0.357 161 HA LEU 23 HA LEU 23 5.542 -6.305 -1.741 162 1HB LEU 23 HB2 LEU 23 7.645 -4.108 -1.617 163 2HB LEU 23 HB1 LEU 23 5.944 -3.908 -2.029 164 HG LEU 23 HG LEU 23 6.928 -4.943 0.644 165 1HD1 LEU 23 HD21 LEU 23 7.624 -2.648 0.484 166 2HD1 LEU 23 HD22 LEU 23 6.142 -2.660 1.441 167 3HD1 LEU 23 HD23 LEU 23 6.093 -2.175 -0.254 168 1HD2 LEU 23 HD11 LEU 23 4.601 -4.523 1.333 169 2HD2 LEU 23 HD12 LEU 23 4.658 -5.662 -0.012 170 3HD2 LEU 23 HD13 LEU 23 4.212 -3.980 -0.300 171 H ASN 24 HN ASN 24 5.289 -6.337 -3.996 172 HA ASN 24 HA ASN 24 7.544 -7.257 -5.604 173 1HB ASN 24 HB2 ASN 24 4.740 -6.333 -6.343 174 2HB ASN 24 HB1 ASN 24 5.813 -7.285 -7.369 175 1HD2 ASN 24 HD22 ASN 24 5.150 -9.435 -7.347 176 2HD2 ASN 24 HD21 ASN 24 4.593 -10.273 -5.979 177 H GLU 25 HN GLU 25 8.164 -6.065 -7.657 178 HA GLU 25 HA GLU 25 9.149 -3.478 -7.217 179 1HB GLU 25 HB1 GLU 25 8.539 -5.249 -9.521 180 2HB GLU 25 HB2 GLU 25 8.720 -3.542 -9.923 181 1HG GLU 25 HG2 GLU 25 10.906 -3.497 -8.788 182 2HG GLU 25 HG1 GLU 25 10.723 -5.196 -8.353 183 H LYS 26 HN LYS 26 5.915 -4.460 -8.210 184 HA LYS 26 HA LYS 26 5.007 -1.837 -9.055 185 1HB LYS 26 HB2 LYS 26 3.775 -4.470 -8.237 186 2HB LYS 26 HB1 LYS 26 2.746 -3.068 -8.526 187 1HG LYS 26 HG2 LYS 26 4.073 -2.848 -10.759 188 2HG LYS 26 HG1 LYS 26 4.537 -4.524 -10.462 189 1HD LYS 26 HD1 LYS 26 1.648 -3.671 -10.320 190 2HD LYS 26 HD2 LYS 26 2.394 -4.085 -11.864 191 1HE LYS 26 HE1 LYS 26 3.208 -6.229 -10.491 192 2HE LYS 26 HE2 LYS 26 1.766 -5.852 -9.530 193 1HZ LYS 26 HZ1 LYS 26 1.352 -7.277 -11.539 194 2HZ LYS 26 HZ2 LYS 26 1.777 -5.943 -12.500 195 3HZ LYS 26 HZ3 LYS 26 0.426 -5.855 -11.474 196 H GLU 27 HN GLU 27 4.524 -3.742 -6.052 197 HA GLU 27 HA GLU 27 3.271 -1.568 -4.601 198 1HB GLU 27 HB2 GLU 27 4.716 -4.090 -3.699 199 2HB GLU 27 HB1 GLU 27 3.645 -3.119 -2.689 200 1HG GLU 27 HG1 GLU 27 1.738 -3.792 -3.829 201 2HG GLU 27 HG2 GLU 27 2.618 -4.109 -5.324 202 H LYS 28 HN LYS 28 6.578 -2.832 -4.867 203 HA LYS 28 HA LYS 28 7.907 -1.352 -2.874 204 1HB LYS 28 HB1 LYS 28 8.549 -2.372 -5.634 205 2HB LYS 28 HB2 LYS 28 9.767 -1.454 -4.755 206 1HG LYS 28 HG2 LYS 28 9.396 -3.068 -2.808 207 2HG LYS 28 HG1 LYS 28 8.453 -4.052 -3.927 208 1HD LYS 28 HD2 LYS 28 10.557 -5.001 -4.195 209 2HD LYS 28 HD1 LYS 28 10.594 -3.776 -5.463 210 1HE LYS 28 HE2 LYS 28 12.395 -2.830 -4.461 211 2HE LYS 28 HE1 LYS 28 11.417 -2.534 -3.011 212 1HZ LYS 28 HZ1 LYS 28 11.824 -4.795 -2.298 213 2HZ LYS 28 HZ2 LYS 28 13.311 -4.019 -2.563 214 3HZ LYS 28 HZ3 LYS 28 12.713 -5.122 -3.707 215 H GLU 29 HN GLU 29 7.336 -0.411 -6.286 216 HA GLU 29 HA GLU 29 8.376 2.253 -6.046 217 1HB GLU 29 HB2 GLU 29 6.672 0.650 -7.909 218 2HB GLU 29 HB1 GLU 29 6.625 2.403 -8.096 219 1HG GLU 29 HG2 GLU 29 8.815 2.524 -8.785 220 2HG GLU 29 HG1 GLU 29 9.314 1.161 -7.785 221 H LEU 30 HN LEU 30 5.157 0.850 -5.520 222 HA LEU 30 HA LEU 30 3.583 3.187 -5.324 223 1HB LEU 30 HB1 LEU 30 3.501 0.397 -4.599 224 2HB LEU 30 HB2 LEU 30 2.861 1.346 -3.258 225 HG LEU 30 HG LEU 30 1.970 1.970 -6.059 226 1HD1 LEU 30 HD21 LEU 30 0.446 -0.002 -4.389 227 2HD1 LEU 30 HD22 LEU 30 1.788 -0.579 -5.377 228 3HD1 LEU 30 HD23 LEU 30 0.421 0.234 -6.137 229 1HD2 LEU 30 HD11 LEU 30 0.672 3.391 -4.890 230 2HD2 LEU 30 HD12 LEU 30 1.312 2.760 -3.373 231 3HD2 LEU 30 HD13 LEU 30 -0.102 2.008 -4.114 232 H CYS 31 HN CYS 31 5.858 1.749 -3.021 233 HA CYS 31 HA CYS 31 5.177 3.654 -0.884 234 1HB CYS 31 HB1 CYS 31 7.334 1.559 -1.326 235 2HB CYS 31 HB2 CYS 31 7.190 2.491 0.164 236 HG CYS 31 HG CYS 31 4.566 1.129 -0.566 237 H GLN 32 HN GLN 32 7.819 3.179 -3.238 238 HA GLN 32 HA GLN 32 9.576 5.222 -2.367 239 1HB GLN 32 HB1 GLN 32 8.842 4.095 -5.087 240 2HB GLN 32 HB2 GLN 32 10.184 5.217 -4.860 241 1HG GLN 32 HG2 GLN 32 11.182 3.658 -3.205 242 2HG GLN 32 HG1 GLN 32 9.861 2.526 -3.497 243 1HE2 GLN 32 HE21 GLN 32 12.990 2.768 -4.240 244 2HE2 GLN 32 HE22 GLN 32 13.001 2.187 -5.835 245 H VAL 33 HN VAL 33 6.498 5.407 -4.001 246 HA VAL 33 HA VAL 33 6.817 8.226 -4.804 247 HB VAL 33 HB VAL 33 4.476 6.280 -4.737 248 1HG1 VAL 33 HG11 VAL 33 3.579 7.977 -6.471 249 2HG1 VAL 33 HG12 VAL 33 4.773 9.088 -5.800 250 3HG1 VAL 33 HG13 VAL 33 3.500 8.434 -4.770 251 1HG2 VAL 33 HG21 VAL 33 4.952 5.805 -6.991 252 2HG2 VAL 33 HG22 VAL 33 6.556 5.887 -6.261 253 3HG2 VAL 33 HG23 VAL 33 5.936 7.256 -7.184 254 H VAL 34 HN VAL 34 4.471 6.493 -2.742 255 HA VAL 34 HA VAL 34 4.166 8.923 -1.056 256 HB VAL 34 HB VAL 34 2.372 7.478 0.006 257 1HG1 VAL 34 HG21 VAL 34 0.966 7.401 -2.161 258 2HG1 VAL 34 HG22 VAL 34 2.395 8.066 -2.951 259 3HG1 VAL 34 HG23 VAL 34 1.603 8.967 -1.658 260 1HG2 VAL 34 HG11 VAL 34 3.758 5.391 -1.111 261 2HG2 VAL 34 HG12 VAL 34 2.422 5.582 -2.246 262 3HG2 VAL 34 HG13 VAL 34 2.093 5.294 -0.538 263 H ARG 35 HN ARG 35 6.372 8.761 -0.201 264 HA ARG 35 HA ARG 35 7.863 6.858 0.969 265 1HB ARG 35 HB1 ARG 35 8.163 9.349 1.045 266 2HB ARG 35 HB2 ARG 35 7.016 9.411 2.382 267 1HG ARG 35 HG1 ARG 35 8.461 8.244 3.832 268 2HG ARG 35 HG2 ARG 35 9.431 7.616 2.500 269 1HD ARG 35 HD1 ARG 35 10.795 9.429 2.575 270 2HD ARG 35 HD2 ARG 35 9.408 10.532 2.491 271 HE ARG 35 HE ARG 35 10.732 9.613 4.939 272 1HH1 ARG 35 HH12 ARG 35 7.782 10.792 3.515 273 2HH1 ARG 35 HH11 ARG 35 7.171 11.397 5.015 274 1HH2 ARG 35 HH21 ARG 35 9.917 10.407 6.873 275 2HH2 ARG 35 HH22 ARG 35 8.368 11.182 6.902 276 H LEU 36 HN LEU 36 6.767 5.025 1.765 277 HA LEU 36 HA LEU 36 5.245 5.426 4.323 278 1HB LEU 36 HB2 LEU 36 4.600 4.197 1.774 279 2HB LEU 36 HB1 LEU 36 4.501 2.997 3.060 280 HG LEU 36 HG LEU 36 3.319 5.439 3.996 281 1HD1 LEU 36 HD21 LEU 36 2.702 6.224 1.900 282 2HD1 LEU 36 HD22 LEU 36 1.338 5.163 2.251 283 3HD1 LEU 36 HD23 LEU 36 2.640 4.605 1.201 284 1HD2 LEU 36 HD11 LEU 36 1.758 3.009 3.173 285 2HD2 LEU 36 HD12 LEU 36 1.589 4.004 4.620 286 3HD2 LEU 36 HD13 LEU 36 2.935 2.873 4.480 287 H VAL 37 HN VAL 37 5.009 2.678 4.891 288 HA VAL 37 HA VAL 37 7.808 1.688 5.089 289 HB VAL 37 HB VAL 37 7.784 2.497 7.229 290 1HG1 VAL 37 HG21 VAL 37 4.889 2.823 6.797 291 2HG1 VAL 37 HG22 VAL 37 6.048 3.898 7.568 292 3HG1 VAL 37 HG23 VAL 37 5.362 2.547 8.468 293 1HG2 VAL 37 HG11 VAL 37 7.464 0.837 8.758 294 2HG2 VAL 37 HG12 VAL 37 7.260 -0.126 7.296 295 3HG2 VAL 37 HG13 VAL 37 5.845 0.460 8.170 296 HA PRO 38 HA PRO 38 6.087 -2.045 3.656 297 1HB PRO 38 HB1 PRO 38 7.840 -3.484 5.589 298 2HB PRO 38 HB2 PRO 38 7.757 -3.619 3.825 299 1HG PRO 38 HG2 PRO 38 9.776 -2.368 5.055 300 2HG PRO 38 HG1 PRO 38 9.151 -1.831 3.489 301 1HD PRO 38 HD1 PRO 38 8.764 -0.650 6.192 302 2HD PRO 38 HD2 PRO 38 8.886 0.152 4.610 303 H GLY 39 HN GLY 39 6.848 -2.765 7.096 304 1HA GLY 39 HA1 GLY 39 4.641 -4.411 7.614 305 2HA GLY 39 HA2 GLY 39 5.413 -3.418 8.850 306 H ALA 40 HN ALA 40 4.783 -0.937 7.347 307 HA ALA 40 HA ALA 40 2.158 -0.388 8.471 308 1HB ALA 40 HB1 ALA 40 2.745 1.717 6.871 309 2HB ALA 40 HB2 ALA 40 4.342 0.972 6.962 310 3HB ALA 40 HB3 ALA 40 3.522 1.483 8.437 311 H TYR 41 HN TYR 41 3.305 -0.002 5.091 312 HA TYR 41 HA TYR 41 0.826 0.040 3.787 313 1HB TYR 41 HB2 TYR 41 3.129 0.404 2.841 314 2HB TYR 41 HB1 TYR 41 3.387 -1.338 2.894 315 HD1 TYR 41 HD1 TYR 41 1.540 -2.803 1.713 316 HD2 TYR 41 HD2 TYR 41 2.219 1.362 0.911 317 HE1 TYR 41 HE1 TYR 41 0.404 -3.040 -0.478 318 HE2 TYR 41 HE2 TYR 41 1.083 1.124 -1.281 319 HH TYR 41 HH TYR 41 -0.861 -0.781 -2.146 320 H LEU 42 HN LEU 42 2.760 -2.783 4.781 321 HA LEU 42 HA LEU 42 1.119 -4.827 3.652 322 1HB LEU 42 HB2 LEU 42 3.094 -4.518 5.891 323 2HB LEU 42 HB1 LEU 42 2.146 -6.005 5.832 324 HG LEU 42 HG LEU 42 3.163 -5.280 3.201 325 1HD1 LEU 42 HD21 LEU 42 5.512 -6.242 4.390 326 2HD1 LEU 42 HD22 LEU 42 4.958 -4.961 5.467 327 3HD1 LEU 42 HD23 LEU 42 5.246 -4.615 3.762 328 1HD2 LEU 42 HD11 LEU 42 2.406 -7.487 3.516 329 2HD2 LEU 42 HD12 LEU 42 3.234 -7.647 5.065 330 3HD2 LEU 42 HD13 LEU 42 4.162 -7.656 3.565 331 H GLU 43 HN GLU 43 0.874 -2.939 6.638 332 HA GLU 43 HA GLU 43 -1.334 -4.504 7.742 333 1HB GLU 43 HB1 GLU 43 0.498 -2.601 8.617 334 2HB GLU 43 HB2 GLU 43 -1.023 -1.710 8.606 335 1HG GLU 43 HG2 GLU 43 -2.078 -3.379 10.014 336 2HG GLU 43 HG1 GLU 43 -0.663 -4.426 9.905 337 H TYR 44 HN TYR 44 -1.118 -1.189 6.375 338 HA TYR 44 HA TYR 44 -3.830 -0.528 6.261 339 1HB TYR 44 HB1 TYR 44 -1.585 -0.023 4.267 340 2HB TYR 44 HB2 TYR 44 -3.093 0.897 4.310 341 HD1 TYR 44 HD1 TYR 44 0.133 1.360 5.072 342 HD2 TYR 44 HD2 TYR 44 -3.633 1.247 7.133 343 HE1 TYR 44 HE1 TYR 44 1.067 2.804 6.860 344 HE2 TYR 44 HE2 TYR 44 -2.702 2.690 8.918 345 HH TYR 44 HH TYR 44 -0.014 4.492 8.609 346 H LYS 45 HN LYS 45 -1.967 -2.520 3.973 347 HA LYS 45 HA LYS 45 -4.157 -2.928 2.125 348 1HB LYS 45 HB2 LYS 45 -1.477 -3.261 2.079 349 2HB LYS 45 HB1 LYS 45 -1.953 -4.919 2.451 350 1HG LYS 45 HG2 LYS 45 -3.619 -3.735 0.367 351 2HG LYS 45 HG1 LYS 45 -1.917 -3.763 -0.086 352 1HD LYS 45 HD2 LYS 45 -1.789 -6.145 0.323 353 2HD LYS 45 HD1 LYS 45 -3.415 -6.161 1.004 354 1HE LYS 45 HE1 LYS 45 -2.996 -5.136 -1.801 355 2HE LYS 45 HE2 LYS 45 -3.098 -6.880 -1.504 356 1HZ LYS 45 HZ1 LYS 45 -5.242 -5.318 -1.802 357 2HZ LYS 45 HZ2 LYS 45 -5.067 -5.237 -0.116 358 3HZ LYS 45 HZ3 LYS 45 -5.247 -6.742 -0.881 359 H SER 46 HN SER 46 -2.821 -4.818 4.841 360 HA SER 46 HA SER 46 -4.515 -7.110 4.518 361 1HB SER 46 HB2 SER 46 -2.542 -6.037 6.325 362 2HB SER 46 HB1 SER 46 -3.872 -6.727 7.251 363 HG SER 46 HG SER 46 -2.627 -8.059 5.089 364 H ALA 47 HN ALA 47 -4.777 -4.322 6.753 365 HA ALA 47 HA ALA 47 -7.211 -4.959 7.997 366 1HB ALA 47 HB1 ALA 47 -7.374 -2.354 8.046 367 2HB ALA 47 HB2 ALA 47 -5.850 -2.393 7.157 368 3HB ALA 47 HB3 ALA 47 -5.949 -3.103 8.769 369 H LEU 48 HN LEU 48 -6.707 -3.193 4.923 370 HA LEU 48 HA LEU 48 -9.486 -2.707 4.397 371 1HB LEU 48 HB2 LEU 48 -7.038 -2.988 2.620 372 2HB LEU 48 HB1 LEU 48 -8.583 -2.335 2.073 373 HG LEU 48 HG LEU 48 -7.015 -1.222 4.415 374 1HD1 LEU 48 HD21 LEU 48 -5.632 -0.430 2.791 375 2HD1 LEU 48 HD22 LEU 48 -6.958 0.675 2.430 376 3HD1 LEU 48 HD23 LEU 48 -6.776 -0.816 1.507 377 1HD2 LEU 48 HD11 LEU 48 -8.841 0.571 3.071 378 2HD2 LEU 48 HD12 LEU 48 -8.811 0.082 4.764 379 3HD2 LEU 48 HD13 LEU 48 -9.686 -0.890 3.582 380 H LEU 49 HN LEU 49 -7.293 -5.331 3.333 381 HA LEU 49 HA LEU 49 -9.020 -6.710 1.592 382 1HB LEU 49 HB2 LEU 49 -6.849 -7.509 3.534 383 2HB LEU 49 HB1 LEU 49 -7.665 -8.731 2.558 384 HG LEU 49 HG LEU 49 -6.406 -6.246 1.370 385 1HD1 LEU 49 HD21 LEU 49 -4.525 -7.737 0.726 386 2HD1 LEU 49 HD22 LEU 49 -5.244 -9.030 1.685 387 3HD1 LEU 49 HD23 LEU 49 -4.659 -7.567 2.477 388 1HD2 LEU 49 HD11 LEU 49 -7.290 -7.010 -0.556 389 2HD2 LEU 49 HD12 LEU 49 -8.119 -8.270 0.360 390 3HD2 LEU 49 HD13 LEU 49 -6.519 -8.578 -0.317 391 H ASN 50 HN ASN 50 -8.886 -6.786 5.144 392 HA ASN 50 HA ASN 50 -10.839 -8.914 5.438 393 1HB ASN 50 HB1 ASN 50 -8.976 -7.743 7.008 394 2HB ASN 50 HB2 ASN 50 -10.396 -6.849 7.550 395 1HD2 ASN 50 HD22 ASN 50 -11.149 -7.842 9.431 396 2HD2 ASN 50 HD21 ASN 50 -11.304 -9.519 9.650 397 H GLU 51 HN GLU 51 -11.024 -5.369 5.978 398 HA GLU 51 HA GLU 51 -13.804 -5.217 6.505 399 1HB GLU 51 HB2 GLU 51 -12.125 -3.420 6.834 400 2HB GLU 51 HB1 GLU 51 -11.945 -3.268 5.087 401 1HG GLU 51 HG1 GLU 51 -13.478 -1.546 5.985 402 2HG GLU 51 HG2 GLU 51 -14.319 -2.644 4.894 403 H CYS 52 HN CYS 52 -12.066 -5.555 3.467 404 HA CYS 52 HA CYS 52 -14.323 -4.831 1.767 405 1HB CYS 52 HB1 CYS 52 -11.963 -4.602 1.092 406 2HB CYS 52 HB2 CYS 52 -11.728 -6.340 1.277 407 HG CYS 52 HG CYS 52 -13.607 -5.101 -0.900 408 H HIS 53 HN HIS 53 -12.646 -7.959 2.326 409 HA HIS 53 HA HIS 53 -14.550 -9.616 1.041 410 1HB HIS 53 HB1 HIS 53 -12.235 -10.191 1.848 411 2HB HIS 53 HB2 HIS 53 -12.864 -10.211 3.495 412 HD1 HIS 53 HD1 HIS 53 -14.922 -11.968 3.889 413 HD2 HIS 53 HD2 HIS 53 -12.567 -12.596 0.507 414 HE1 HIS 53 HE1 HIS 53 -15.371 -14.344 3.134 415 H LYS 54 HN LYS 54 -14.526 -8.247 4.300 416 HA LYS 54 HA LYS 54 -16.622 -9.869 5.416 417 1HB LYS 54 HB1 LYS 54 -14.854 -8.186 6.423 418 2HB LYS 54 HB2 LYS 54 -16.118 -6.989 6.145 419 1HG LYS 54 HG2 LYS 54 -17.489 -9.099 7.317 420 2HG LYS 54 HG1 LYS 54 -15.955 -9.080 8.187 421 1HD LYS 54 HD1 LYS 54 -17.558 -7.596 9.299 422 2HD LYS 54 HD2 LYS 54 -16.248 -6.645 8.599 423 1HE LYS 54 HE2 LYS 54 -18.037 -6.753 6.505 424 2HE LYS 54 HE1 LYS 54 -19.114 -6.661 7.912 425 1HZ LYS 54 HZ1 LYS 54 -18.528 -4.445 7.456 426 2HZ LYS 54 HZ2 LYS 54 -16.901 -4.835 7.163 427 3HZ LYS 54 HZ3 LYS 54 -17.515 -4.889 8.745 428 H GLN 55 HN GLN 55 -16.656 -6.695 3.774 429 HA GLN 55 HA GLN 55 -19.606 -6.582 3.908 430 1HB GLN 55 HB1 GLN 55 -17.307 -4.828 3.112 431 2HB GLN 55 HB2 GLN 55 -18.897 -4.452 2.446 432 1HG GLN 55 HG1 GLN 55 -19.496 -4.910 5.087 433 2HG GLN 55 HG2 GLN 55 -17.899 -4.170 5.207 434 1HE2 GLN 55 HE21 GLN 55 -17.723 -1.921 4.742 435 2HE2 GLN 55 HE22 GLN 55 -19.044 -0.956 4.289 436 H GLY 56 HN GLY 56 -17.129 -6.515 1.308 437 1HA GLY 56 HA1 GLY 56 -17.446 -8.140 -0.578 438 2HA GLY 56 HA2 GLY 56 -19.169 -7.776 -0.483 439 H GLY 57 HN GLY 57 -18.770 -4.906 -0.074 440 1HA GLY 57 HA2 GLY 57 -17.599 -4.136 -2.714 441 2HA GLY 57 HA1 GLY 57 -19.185 -3.540 -2.223 442 H LEU 58 HN LEU 58 -15.770 -3.121 -1.897 443 HA LEU 58 HA LEU 58 -16.113 -1.121 0.289 444 1HB LEU 58 HB1 LEU 58 -14.170 -3.055 -0.478 445 2HB LEU 58 HB2 LEU 58 -13.415 -1.476 -0.687 446 HG LEU 58 HG LEU 58 -13.095 -2.384 1.614 447 1HD1 LEU 58 HD11 LEU 58 -14.971 -0.077 1.929 448 2HD1 LEU 58 HD12 LEU 58 -13.538 0.147 0.927 449 3HD1 LEU 58 HD13 LEU 58 -13.366 -0.319 2.619 450 1HD2 LEU 58 HD21 LEU 58 -15.847 -1.834 2.458 451 2HD2 LEU 58 HD22 LEU 58 -14.807 -3.204 2.847 452 3HD2 LEU 58 HD23 LEU 58 -15.734 -3.198 1.346 453 H ARG 59 HN ARG 59 -15.520 1.079 -0.048 454 HA ARG 59 HA ARG 59 -15.407 1.885 -2.924 455 1HB ARG 59 HB2 ARG 59 -16.600 2.897 -0.404 456 2HB ARG 59 HB1 ARG 59 -15.948 4.142 -1.470 457 1HG ARG 59 HG1 ARG 59 -17.242 3.009 -3.359 458 2HG ARG 59 HG2 ARG 59 -18.061 2.072 -2.110 459 1HD ARG 59 HD2 ARG 59 -19.464 3.811 -1.733 460 2HD ARG 59 HD1 ARG 59 -18.079 4.847 -1.339 461 HE ARG 59 HE ARG 59 -18.164 5.697 -3.549 462 1HH1 ARG 59 HH12 ARG 59 -19.963 2.728 -3.290 463 2HH1 ARG 59 HH11 ARG 59 -20.588 2.839 -4.899 464 1HH2 ARG 59 HH21 ARG 59 -18.988 5.818 -5.634 465 2HH2 ARG 59 HH22 ARG 59 -20.042 4.573 -6.218 466 H LEU 60 HN LEU 60 -13.838 3.381 -3.625 467 HA LEU 60 HA LEU 60 -11.249 3.313 -2.395 468 1HB LEU 60 HB1 LEU 60 -11.741 3.648 -4.802 469 2HB LEU 60 HB2 LEU 60 -12.516 5.184 -4.437 470 HG LEU 60 HG LEU 60 -10.438 6.177 -3.777 471 1HD1 LEU 60 HD11 LEU 60 -9.527 4.210 -2.546 472 2HD1 LEU 60 HD12 LEU 60 -8.336 4.913 -3.640 473 3HD1 LEU 60 HD13 LEU 60 -9.181 3.429 -4.094 474 1HD2 LEU 60 HD21 LEU 60 -9.441 4.554 -6.071 475 2HD2 LEU 60 HD22 LEU 60 -9.461 6.306 -5.856 476 3HD2 LEU 60 HD23 LEU 60 -10.939 5.457 -6.308 477 H ALA 61 HN ALA 61 -13.765 5.860 -2.508 478 HA ALA 61 HA ALA 61 -12.389 7.831 -0.977 479 1HB ALA 61 HB1 ALA 61 -14.335 8.872 -1.507 480 2HB ALA 61 HB2 ALA 61 -15.219 7.794 -0.427 481 3HB ALA 61 HB3 ALA 61 -14.963 7.338 -2.111 482 H GLN 62 HN GLN 62 -14.821 5.430 0.107 483 HA GLN 62 HA GLN 62 -14.650 5.871 2.890 484 1HB GLN 62 HB2 GLN 62 -15.166 3.467 1.126 485 2HB GLN 62 HB1 GLN 62 -15.243 3.331 2.883 486 1HG GLN 62 HG2 GLN 62 -16.754 5.533 2.575 487 2HG GLN 62 HG1 GLN 62 -17.054 4.779 1.009 488 1HE2 GLN 62 HE21 GLN 62 -17.187 4.108 4.536 489 2HE2 GLN 62 HE22 GLN 62 -18.393 2.919 4.421 490 H ALA 63 HN ALA 63 -12.387 4.371 0.691 491 HA ALA 63 HA ALA 63 -10.854 2.842 2.536 492 1HB ALA 63 HB1 ALA 63 -9.630 4.321 0.238 493 2HB ALA 63 HB2 ALA 63 -10.865 3.106 -0.095 494 3HB ALA 63 HB3 ALA 63 -9.380 2.649 0.737 495 H ARG 64 HN ARG 64 -10.164 6.059 1.223 496 HA ARG 64 HA ARG 64 -7.995 6.725 2.916 497 1HB ARG 64 HB2 ARG 64 -10.162 8.646 2.003 498 2HB ARG 64 HB1 ARG 64 -8.457 9.004 2.259 499 1HG ARG 64 HG2 ARG 64 -8.120 8.576 0.065 500 2HG ARG 64 HG1 ARG 64 -8.507 6.892 0.405 501 1HD ARG 64 HD2 ARG 64 -10.853 7.269 0.010 502 2HD ARG 64 HD1 ARG 64 -10.561 9.001 -0.256 503 HE ARG 64 HE ARG 64 -9.839 6.816 -2.094 504 1HH1 ARG 64 HH22 ARG 64 -9.296 10.116 -1.127 505 2HH1 ARG 64 HH21 ARG 64 -8.637 10.569 -2.658 506 1HH2 ARG 64 HH12 ARG 64 -8.979 7.435 -4.073 507 2HH2 ARG 64 HH11 ARG 64 -8.457 9.069 -4.312 508 H ALA 65 HN ALA 65 -11.450 6.712 3.550 509 HA ALA 65 HA ALA 65 -11.241 8.210 6.053 510 1HB ALA 65 HB1 ALA 65 -13.247 7.029 4.285 511 2HB ALA 65 HB2 ALA 65 -13.396 8.414 5.366 512 3HB ALA 65 HB3 ALA 65 -13.648 6.782 5.984 513 H LEU 66 HN LEU 66 -10.887 4.852 5.145 514 HA LEU 66 HA LEU 66 -11.426 3.902 7.890 515 1HB LEU 66 HB2 LEU 66 -11.960 2.821 5.542 516 2HB LEU 66 HB1 LEU 66 -10.309 2.221 5.659 517 HG LEU 66 HG LEU 66 -11.260 1.671 8.169 518 1HD1 LEU 66 HD11 LEU 66 -13.548 2.422 7.078 519 2HD1 LEU 66 HD12 LEU 66 -13.492 1.009 8.133 520 3HD1 LEU 66 HD13 LEU 66 -13.509 0.802 6.382 521 1HD2 LEU 66 HD21 LEU 66 -10.342 0.280 5.931 522 2HD2 LEU 66 HD22 LEU 66 -11.892 -0.475 6.296 523 3HD2 LEU 66 HD23 LEU 66 -10.633 -0.404 7.530 524 H ILE 67 HN ILE 67 -8.649 3.083 5.747 525 HA ILE 67 HA ILE 67 -6.915 3.027 8.153 526 HB ILE 67 HB ILE 67 -5.312 2.010 6.517 527 1HG1 ILE 67 HG12 ILE 67 -7.452 1.869 4.452 528 2HG1 ILE 67 HG11 ILE 67 -6.606 3.407 4.619 529 1HG2 ILE 67 HG21 ILE 67 -6.949 0.604 7.732 530 2HG2 ILE 67 HG22 ILE 67 -6.595 -0.042 6.129 531 3HG2 ILE 67 HG23 ILE 67 -8.102 0.829 6.416 532 1HD1 ILE 67 HD11 ILE 67 -4.455 2.314 4.299 533 2HD1 ILE 67 HD12 ILE 67 -5.520 1.858 2.970 534 3HD1 ILE 67 HD13 ILE 67 -5.224 0.727 4.290 535 H LYS 68 HN LYS 68 -4.472 3.688 7.042 536 HA LYS 68 HA LYS 68 -3.119 5.588 6.702 537 1HB LYS 68 HB2 LYS 68 -5.327 5.564 4.704 538 2HB LYS 68 HB1 LYS 68 -4.158 6.890 4.680 539 1HG LYS 68 HG1 LYS 68 -3.315 3.993 4.839 540 2HG LYS 68 HG2 LYS 68 -3.545 4.816 3.312 541 1HD LYS 68 HD2 LYS 68 -1.468 5.652 3.489 542 2HD LYS 68 HD1 LYS 68 -1.995 6.554 4.907 543 1HE LYS 68 HE1 LYS 68 -1.595 4.345 6.213 544 2HE LYS 68 HE2 LYS 68 -0.664 3.842 4.790 545 1HZ LYS 68 HZ1 LYS 68 0.814 4.989 6.256 546 2HZ LYS 68 HZ2 LYS 68 -0.265 6.287 6.437 547 3HZ LYS 68 HZ3 LYS 68 0.505 6.024 4.946 548 H ILE 69 HN ILE 69 -3.804 8.237 6.004 549 HA ILE 69 HA ILE 69 -5.775 9.117 8.051 550 HB ILE 69 HB ILE 69 -4.130 10.503 9.164 551 1HG1 ILE 69 HG12 ILE 69 -2.836 11.057 7.068 552 2HG1 ILE 69 HG11 ILE 69 -1.840 10.714 8.477 553 1HG2 ILE 69 HG21 ILE 69 -2.708 8.815 10.133 554 2HG2 ILE 69 HG22 ILE 69 -2.861 7.796 8.701 555 3HG2 ILE 69 HG23 ILE 69 -4.256 8.061 9.749 556 1HD1 ILE 69 HD11 ILE 69 -2.165 8.211 7.288 557 2HD1 ILE 69 HD12 ILE 69 -0.739 9.237 7.173 558 3HD1 ILE 69 HD13 ILE 69 -1.977 9.304 5.921 559 H ASP 70 HN ASP 70 -3.678 9.993 5.319 560 HA ASP 70 HA ASP 70 -5.015 12.612 5.053 561 1HB ASP 70 HB1 ASP 70 -2.506 12.014 4.806 562 2HB ASP 70 HB2 ASP 70 -2.959 11.346 3.239 563 H VAL 71 HN VAL 71 -4.326 11.869 1.943 564 HA VAL 71 HA VAL 71 -6.844 10.388 1.393 565 HB VAL 71 HB VAL 71 -7.436 12.761 1.507 566 1HG1 VAL 71 HG21 VAL 71 -6.238 14.477 0.474 567 2HG1 VAL 71 HG22 VAL 71 -5.524 13.395 -0.720 568 3HG1 VAL 71 HG23 VAL 71 -4.931 13.387 0.940 569 1HG2 VAL 71 HG11 VAL 71 -8.782 12.260 -0.229 570 2HG2 VAL 71 HG12 VAL 71 -7.568 11.183 -0.918 571 3HG2 VAL 71 HG13 VAL 71 -7.538 12.903 -1.301 572 H ASN 72 HN ASN 72 -3.964 11.997 -0.025 573 HA ASN 72 HA ASN 72 -4.078 10.426 -2.491 574 1HB ASN 72 HB2 ASN 72 -2.995 12.763 -1.910 575 2HB ASN 72 HB1 ASN 72 -1.635 11.786 -1.358 576 1HD2 ASN 72 HD22 ASN 72 -0.146 12.147 -3.069 577 2HD2 ASN 72 HD21 ASN 72 -0.469 11.761 -4.691 578 H LYS 73 HN LYS 73 -3.016 9.919 0.732 579 HA LYS 73 HA LYS 73 -0.903 7.992 0.228 580 1HB LYS 73 HB1 LYS 73 -2.502 9.161 2.457 581 2HB LYS 73 HB2 LYS 73 -1.852 7.557 2.762 582 1HG LYS 73 HG2 LYS 73 -0.337 9.424 3.487 583 2HG LYS 73 HG1 LYS 73 0.405 8.312 2.338 584 1HD LYS 73 HD1 LYS 73 0.958 10.535 1.606 585 2HD LYS 73 HD2 LYS 73 -0.275 9.935 0.500 586 1HE LYS 73 HE2 LYS 73 -1.987 11.238 1.559 587 2HE LYS 73 HE1 LYS 73 -0.947 11.627 2.930 588 1HZ LYS 73 HZ1 LYS 73 -0.509 12.405 0.093 589 2HZ LYS 73 HZ2 LYS 73 0.602 12.681 1.346 590 3HZ LYS 73 HZ3 LYS 73 -0.913 13.448 1.370 591 H THR 74 HN THR 74 -4.309 7.767 1.314 592 HA THR 74 HA THR 74 -4.460 4.880 1.019 593 HB THR 74 HB THR 74 -6.654 6.988 0.985 594 HG1 THR 74 HG1 THR 74 -6.027 7.377 2.932 595 1HG2 THR 74 HG21 THR 74 -6.545 4.039 1.181 596 2HG2 THR 74 HG22 THR 74 -7.868 5.081 0.658 597 3HG2 THR 74 HG23 THR 74 -7.577 4.817 2.378 598 H ARG 75 HN ARG 75 -5.255 7.692 -0.991 599 HA ARG 75 HA ARG 75 -6.622 6.445 -3.119 600 1HB ARG 75 HB2 ARG 75 -6.205 8.895 -2.748 601 2HB ARG 75 HB1 ARG 75 -4.526 8.648 -3.230 602 1HG ARG 75 HG1 ARG 75 -6.594 7.605 -5.092 603 2HG ARG 75 HG2 ARG 75 -6.463 9.360 -4.977 604 1HD ARG 75 HD2 ARG 75 -4.063 9.243 -5.497 605 2HD ARG 75 HD1 ARG 75 -4.147 7.471 -5.543 606 HE ARG 75 HE ARG 75 -5.229 7.635 -7.646 607 1HH1 ARG 75 HH21 ARG 75 -5.276 10.690 -5.978 608 2HH1 ARG 75 HH22 ARG 75 -5.940 11.542 -7.329 609 1HH2 ARG 75 HH12 ARG 75 -6.091 8.763 -9.386 610 2HH2 ARG 75 HH11 ARG 75 -6.399 10.461 -9.244 611 H LYS 76 HN LYS 76 -3.143 6.599 -2.409 612 HA LYS 76 HA LYS 76 -2.353 5.343 -4.906 613 1HB LYS 76 HB2 LYS 76 -1.124 6.223 -2.336 614 2HB LYS 76 HB1 LYS 76 -0.211 5.090 -3.336 615 1HG LYS 76 HG2 LYS 76 -1.144 6.878 -5.199 616 2HG LYS 76 HG1 LYS 76 -0.855 7.916 -3.816 617 1HD LYS 76 HD2 LYS 76 1.298 7.931 -4.587 618 2HD LYS 76 HD1 LYS 76 1.395 6.368 -3.775 619 1HE LYS 76 HE1 LYS 76 2.137 5.821 -5.938 620 2HE LYS 76 HE2 LYS 76 0.403 5.473 -6.071 621 1HZ LYS 76 HZ1 LYS 76 0.013 7.644 -6.948 622 2HZ LYS 76 HZ2 LYS 76 1.283 6.967 -7.849 623 3HZ LYS 76 HZ3 LYS 76 1.614 8.126 -6.652 624 H ILE 77 HN ILE 77 -2.174 4.176 -1.504 625 HA ILE 77 HA ILE 77 -1.499 1.489 -2.097 626 HB ILE 77 HB ILE 77 -3.179 2.664 0.154 627 1HG1 ILE 77 HG11 ILE 77 -0.194 2.206 -0.137 628 2HG1 ILE 77 HG12 ILE 77 -1.013 3.758 -0.006 629 1HG2 ILE 77 HG21 ILE 77 -1.660 0.046 -0.075 630 2HG2 ILE 77 HG22 ILE 77 -3.407 0.236 0.073 631 3HG2 ILE 77 HG23 ILE 77 -2.356 0.667 1.422 632 1HD1 ILE 77 HD11 ILE 77 -1.953 2.573 2.232 633 2HD1 ILE 77 HD12 ILE 77 -0.475 3.535 2.204 634 3HD1 ILE 77 HD13 ILE 77 -0.384 1.776 2.109 635 H TYR 78 HN TYR 78 -4.745 2.801 -1.331 636 HA TYR 78 HA TYR 78 -6.197 0.439 -1.860 637 1HB TYR 78 HB1 TYR 78 -6.704 3.000 -1.014 638 2HB TYR 78 HB2 TYR 78 -7.488 2.992 -2.594 639 HD1 TYR 78 HD1 TYR 78 -9.696 2.178 -2.704 640 HD2 TYR 78 HD2 TYR 78 -7.085 0.771 0.393 641 HE1 TYR 78 HE1 TYR 78 -11.551 0.842 -1.754 642 HE2 TYR 78 HE2 TYR 78 -8.939 -0.571 1.344 643 HH TYR 78 HH TYR 78 -11.077 -1.593 0.523 644 H ASP 79 HN ASP 79 -5.313 3.085 -4.134 645 HA ASP 79 HA ASP 79 -6.793 2.261 -6.383 646 1HB ASP 79 HB2 ASP 79 -4.235 3.674 -5.837 647 2HB ASP 79 HB1 ASP 79 -4.421 3.056 -7.475 648 H PHE 80 HN PHE 80 -3.628 1.065 -5.251 649 HA PHE 80 HA PHE 80 -3.165 -0.790 -7.379 650 1HB PHE 80 HB2 PHE 80 -1.572 0.080 -5.605 651 2HB PHE 80 HB1 PHE 80 -2.367 -0.989 -4.452 652 HD1 PHE 80 HD1 PHE 80 -1.496 -3.132 -4.153 653 HD2 PHE 80 HD2 PHE 80 -0.829 -1.094 -7.874 654 HE1 PHE 80 HE1 PHE 80 -0.076 -5.011 -4.928 655 HE2 PHE 80 HE2 PHE 80 0.591 -2.973 -8.650 656 HZ PHE 80 HZ PHE 80 0.967 -4.932 -7.177 657 H LEU 81 HN LEU 81 -4.681 -1.237 -4.173 658 HA LEU 81 HA LEU 81 -5.299 -4.025 -4.477 659 1HB LEU 81 HB1 LEU 81 -7.080 -2.114 -2.963 660 2HB LEU 81 HB2 LEU 81 -6.581 -3.736 -2.511 661 HG LEU 81 HG LEU 81 -5.029 -1.161 -2.291 662 1HD1 LEU 81 HD21 LEU 81 -5.706 -3.435 -0.416 663 2HD1 LEU 81 HD22 LEU 81 -6.308 -1.780 -0.349 664 3HD1 LEU 81 HD23 LEU 81 -4.614 -2.115 0.001 665 1HD2 LEU 81 HD11 LEU 81 -3.207 -2.288 -3.057 666 2HD2 LEU 81 HD12 LEU 81 -3.981 -3.861 -2.864 667 3HD2 LEU 81 HD13 LEU 81 -3.243 -3.062 -1.477 668 H ILE 82 HN ILE 82 -7.206 -1.106 -5.147 669 HA ILE 82 HA ILE 82 -9.617 -2.368 -6.017 670 HB ILE 82 HB ILE 82 -8.265 0.256 -6.752 671 1HG1 ILE 82 HG11 ILE 82 -8.729 -0.261 -4.288 672 2HG1 ILE 82 HG12 ILE 82 -9.407 1.236 -4.916 673 1HG2 ILE 82 HG21 ILE 82 -10.824 0.874 -7.021 674 2HG2 ILE 82 HG22 ILE 82 -10.987 -0.856 -7.326 675 3HG2 ILE 82 HG23 ILE 82 -9.939 0.125 -8.351 676 1HD1 ILE 82 HD11 ILE 82 -10.812 -0.767 -3.582 677 2HD1 ILE 82 HD12 ILE 82 -11.229 -1.018 -5.278 678 3HD1 ILE 82 HD13 ILE 82 -11.517 0.550 -4.519 679 H ARG 83 HN ARG 83 -7.199 -0.721 -8.051 680 HA ARG 83 HA ARG 83 -8.054 -1.631 -10.554 681 1HB ARG 83 HB1 ARG 83 -5.468 -0.760 -9.313 682 2HB ARG 83 HB2 ARG 83 -5.439 -1.347 -10.967 683 1HG ARG 83 HG2 ARG 83 -5.739 1.134 -10.786 684 2HG ARG 83 HG1 ARG 83 -7.048 0.325 -11.627 685 1HD ARG 83 HD1 ARG 83 -8.404 0.359 -9.530 686 2HD ARG 83 HD2 ARG 83 -7.100 1.260 -8.728 687 HE ARG 83 HE ARG 83 -7.835 2.483 -11.252 688 1HH1 ARG 83 HH22 ARG 83 -8.791 2.123 -7.923 689 2HH1 ARG 83 HH21 ARG 83 -9.642 3.628 -7.891 690 1HH2 ARG 83 HH12 ARG 83 -8.946 4.433 -11.184 691 2HH2 ARG 83 HH11 ARG 83 -9.731 4.928 -9.721 692 H GLU 84 HN GLU 84 -6.050 -3.308 -8.155 693 HA GLU 84 HA GLU 84 -5.558 -5.570 -10.003 694 1HB GLU 84 HB1 GLU 84 -4.817 -4.965 -7.117 695 2HB GLU 84 HB2 GLU 84 -4.287 -6.402 -7.989 696 1HG GLU 84 HG1 GLU 84 -3.784 -4.043 -9.580 697 2HG GLU 84 HG2 GLU 84 -3.052 -3.864 -7.985 698 H GLY 85 HN GLY 85 -5.902 -7.808 -8.765 699 1HA GLY 85 HA1 GLY 85 -8.776 -7.898 -8.081 700 2HA GLY 85 HA2 GLY 85 -7.756 -9.292 -8.432 701 H TYR 86 HN TYR 86 -7.900 -6.657 -5.988 702 HA TYR 86 HA TYR 86 -7.283 -8.747 -3.921 703 1HB TYR 86 HB1 TYR 86 -6.382 -5.923 -4.403 704 2HB TYR 86 HB2 TYR 86 -6.460 -6.505 -2.741 705 HD1 TYR 86 HD1 TYR 86 -4.517 -6.433 -5.738 706 HD2 TYR 86 HD2 TYR 86 -5.329 -8.794 -2.243 707 HE1 TYR 86 HE1 TYR 86 -2.375 -7.642 -6.058 708 HE2 TYR 86 HE2 TYR 86 -3.187 -10.003 -2.562 709 HH TYR 86 HH TYR 86 -1.639 -10.515 -4.509 710 H ILE 87 HN ILE 87 -8.849 -5.543 -4.335 711 HA ILE 87 HA ILE 87 -10.953 -6.455 -2.404 712 HB ILE 87 HB ILE 87 -10.863 -4.179 -1.452 713 1HG1 ILE 87 HG12 ILE 87 -8.513 -3.662 -3.286 714 2HG1 ILE 87 HG11 ILE 87 -10.152 -3.142 -3.682 715 1HG2 ILE 87 HG21 ILE 87 -8.816 -4.413 -0.286 716 2HG2 ILE 87 HG22 ILE 87 -8.012 -5.147 -1.674 717 3HG2 ILE 87 HG23 ILE 87 -9.223 -6.059 -0.773 718 1HD1 ILE 87 HD11 ILE 87 -8.405 -2.262 -1.385 719 2HD1 ILE 87 HD12 ILE 87 -10.156 -2.062 -1.327 720 3HD1 ILE 87 HD13 ILE 87 -9.218 -1.265 -2.591 721 H THR 88 HN THR 88 -12.318 -3.846 -2.682 722 HA THR 88 HA THR 88 -13.083 -3.863 -5.568 723 HB THR 88 HB THR 88 -15.512 -3.729 -4.471 724 HG1 THR 88 HG1 THR 88 -15.539 -5.056 -2.602 725 1HG2 THR 88 HG21 THR 88 -15.508 -6.305 -4.509 726 2HG2 THR 88 HG22 THR 88 -13.797 -6.175 -4.915 727 3HG2 THR 88 HG23 THR 88 -15.013 -5.483 -5.988 728 H LYS 89 HN LYS 89 -14.405 -1.946 -6.143 729 HA LYS 89 HA LYS 89 -13.837 0.383 -4.339 730 1HB LYS 89 HB1 LYS 89 -12.628 0.035 -6.611 731 2HB LYS 89 HB2 LYS 89 -14.178 0.445 -7.342 732 1HG LYS 89 HG2 LYS 89 -13.911 2.441 -5.482 733 2HG LYS 89 HG1 LYS 89 -12.234 2.177 -5.959 734 1HD LYS 89 HD1 LYS 89 -13.093 3.806 -7.484 735 2HD LYS 89 HD2 LYS 89 -13.050 2.287 -8.379 736 1HE LYS 89 HE1 LYS 89 -15.328 2.203 -8.557 737 2HE LYS 89 HE2 LYS 89 -15.566 2.761 -6.890 738 1HZ LYS 89 HZ1 LYS 89 -16.221 4.427 -8.594 739 2HZ LYS 89 HZ2 LYS 89 -14.606 4.485 -9.116 740 3HZ LYS 89 HZ3 LYS 89 -15.008 4.984 -7.543 741 H ALA 90 HN ALA 90 -16.262 -1.392 -6.074 742 HA ALA 90 HA ALA 90 -18.579 -1.030 -6.342 743 1HB ALA 90 HB1 ALA 90 -17.652 -0.036 -3.755 744 2HB ALA 90 HB2 ALA 90 -19.116 -0.942 -4.135 745 3HB ALA 90 HB3 ALA 90 -19.100 0.814 -4.292 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -15.278 14.803 7.061 2 2H GLY 1 HT2 GLY 1 -13.965 14.891 5.987 3 3H GLY 1 HT3 GLY 1 -14.991 13.538 5.964 4 1HA GLY 1 HA1 GLY 1 -16.846 15.173 5.408 5 2HA GLY 1 HA2 GLY 1 -15.531 16.282 5.019 6 H SER 2 HN SER 2 -16.630 12.947 4.335 7 HA SER 2 HA SER 2 -15.687 13.339 1.520 8 1HB SER 2 HB2 SER 2 -15.225 11.040 3.444 9 2HB SER 2 HB1 SER 2 -14.975 10.881 1.706 10 HG SER 2 HG SER 2 -13.106 11.732 2.048 11 H ASN 3 HN ASN 3 -17.350 12.935 0.123 12 HA ASN 3 HA ASN 3 -19.516 11.054 1.006 13 1HB ASN 3 HB2 ASN 3 -19.542 13.860 0.380 14 2HB ASN 3 HB1 ASN 3 -20.478 13.009 -0.849 15 1HD2 ASN 3 HD22 ASN 3 -20.947 14.566 1.992 16 2HD2 ASN 3 HD21 ASN 3 -22.233 13.661 2.632 17 H SER 4 HN SER 4 -17.160 10.435 -0.643 18 HA SER 4 HA SER 4 -18.600 9.520 -3.084 19 1HB SER 4 HB1 SER 4 -16.683 10.348 -4.454 20 2HB SER 4 HB2 SER 4 -17.499 11.666 -3.612 21 HG SER 4 HG SER 4 -14.955 10.748 -3.356 22 H GLY 5 HN GLY 5 -18.012 7.828 -1.002 23 1HA GLY 5 HA1 GLY 5 -15.531 6.414 -1.895 24 2HA GLY 5 HA2 GLY 5 -16.154 6.339 -0.247 25 H ARG 6 HN ARG 6 -16.196 4.840 -3.299 26 HA ARG 6 HA ARG 6 -18.736 3.385 -2.754 27 1HB ARG 6 HB1 ARG 6 -17.234 4.279 -5.039 28 2HB ARG 6 HB2 ARG 6 -17.389 2.524 -5.126 29 1HG ARG 6 HG1 ARG 6 -19.863 3.880 -4.299 30 2HG ARG 6 HG2 ARG 6 -19.326 4.323 -5.920 31 1HD ARG 6 HD2 ARG 6 -18.943 1.585 -5.911 32 2HD ARG 6 HD1 ARG 6 -20.428 1.771 -4.958 33 HE ARG 6 HE ARG 6 -21.505 2.571 -6.909 34 1HH1 ARG 6 HH21 ARG 6 -18.044 2.705 -7.259 35 2HH1 ARG 6 HH22 ARG 6 -18.120 3.176 -8.921 36 1HH2 ARG 6 HH11 ARG 6 -21.578 3.183 -9.069 37 2HH2 ARG 6 HH12 ARG 6 -20.104 3.445 -9.940 38 H ARG 7 HN ARG 7 -18.272 0.919 -3.781 39 HA ARG 7 HA ARG 7 -15.774 -0.221 -2.709 40 1HB ARG 7 HB1 ARG 7 -17.118 -1.686 -1.121 41 2HB ARG 7 HB2 ARG 7 -17.077 0.021 -0.682 42 1HG ARG 7 HG1 ARG 7 -19.300 0.341 -1.175 43 2HG ARG 7 HG2 ARG 7 -19.294 -0.852 -2.472 44 1HD ARG 7 HD2 ARG 7 -20.575 -1.889 -0.757 45 2HD ARG 7 HD1 ARG 7 -18.961 -2.594 -0.544 46 HE ARG 7 HE ARG 7 -18.746 -1.350 1.462 47 1HH1 ARG 7 HH11 ARG 7 -21.341 -0.110 -0.499 48 2HH1 ARG 7 HH12 ARG 7 -21.879 0.996 0.717 49 1HH2 ARG 7 HH22 ARG 7 -19.463 0.094 3.024 50 2HH2 ARG 7 HH21 ARG 7 -20.825 1.112 2.697 51 H SER 8 HN SER 8 -15.723 -0.867 -5.022 52 HA SER 8 HA SER 8 -17.516 -3.211 -5.580 53 1HB SER 8 HB2 SER 8 -16.624 -0.837 -7.146 54 2HB SER 8 HB1 SER 8 -16.702 -2.361 -8.030 55 HG SER 8 HG SER 8 -18.681 -0.966 -7.843 56 H ALA 9 HN ALA 9 -16.006 -4.776 -4.792 57 HA ALA 9 HA ALA 9 -13.942 -5.608 -6.634 58 1HB ALA 9 HB1 ALA 9 -12.551 -4.946 -4.160 59 2HB ALA 9 HB2 ALA 9 -13.301 -3.511 -4.861 60 3HB ALA 9 HB3 ALA 9 -12.160 -4.463 -5.811 61 HA PRO 10 HA PRO 10 -14.124 -9.414 -4.456 62 1HB PRO 10 HB1 PRO 10 -11.499 -9.839 -3.552 63 2HB PRO 10 HB2 PRO 10 -12.117 -10.270 -5.155 64 1HG PRO 10 HG1 PRO 10 -10.546 -7.897 -4.314 65 2HG PRO 10 HG2 PRO 10 -10.468 -8.831 -5.814 66 1HD PRO 10 HD1 PRO 10 -11.661 -6.442 -5.702 67 2HD PRO 10 HD2 PRO 10 -12.285 -7.738 -6.738 68 HA PRO 11 HA PRO 11 -14.710 -8.153 -0.269 69 1HB PRO 11 HB1 PRO 11 -14.932 -10.975 0.521 70 2HB PRO 11 HB2 PRO 11 -16.186 -9.725 0.492 71 1HG PRO 11 HG1 PRO 11 -16.089 -11.822 -1.237 72 2HG PRO 11 HG2 PRO 11 -16.854 -10.271 -1.604 73 1HD PRO 11 HD2 PRO 11 -14.254 -11.364 -2.532 74 2HD PRO 11 HD1 PRO 11 -15.393 -10.276 -3.352 75 H LEU 12 HN LEU 12 -12.675 -7.454 0.486 76 HA LEU 12 HA LEU 12 -10.914 -9.589 1.652 77 1HB LEU 12 HB2 LEU 12 -10.379 -7.030 0.160 78 2HB LEU 12 HB1 LEU 12 -9.226 -7.521 1.395 79 HG LEU 12 HG LEU 12 -8.462 -8.402 -0.715 80 1HD1 LEU 12 HD21 LEU 12 -8.487 -9.911 1.383 81 2HD1 LEU 12 HD22 LEU 12 -8.223 -10.685 -0.180 82 3HD1 LEU 12 HD23 LEU 12 -9.808 -10.765 0.585 83 1HD2 LEU 12 HD11 LEU 12 -11.068 -9.880 -1.028 84 2HD2 LEU 12 HD12 LEU 12 -9.805 -9.615 -2.229 85 3HD2 LEU 12 HD13 LEU 12 -10.822 -8.272 -1.710 86 H ASN 13 HN ASN 13 -9.392 -8.173 3.357 87 HA ASN 13 HA ASN 13 -11.089 -7.532 5.560 88 1HB ASN 13 HB1 ASN 13 -8.234 -7.390 4.791 89 2HB ASN 13 HB2 ASN 13 -8.708 -6.241 6.044 90 1HD2 ASN 13 HD22 ASN 13 -9.095 -7.068 8.146 91 2HD2 ASN 13 HD21 ASN 13 -9.041 -8.720 8.534 92 H LEU 14 HN LEU 14 -10.132 -5.690 2.796 93 HA LEU 14 HA LEU 14 -10.765 -3.083 4.058 94 1HB LEU 14 HB1 LEU 14 -8.866 -3.747 2.357 95 2HB LEU 14 HB2 LEU 14 -10.143 -3.603 1.150 96 HG LEU 14 HG LEU 14 -10.564 -1.305 2.491 97 1HD1 LEU 14 HD11 LEU 14 -8.879 -0.794 3.889 98 2HD1 LEU 14 HD12 LEU 14 -7.769 -0.809 2.520 99 3HD1 LEU 14 HD13 LEU 14 -8.036 -2.279 3.454 100 1HD2 LEU 14 HD21 LEU 14 -8.402 -0.752 0.715 101 2HD2 LEU 14 HD22 LEU 14 -10.131 -0.606 0.395 102 3HD2 LEU 14 HD23 LEU 14 -9.296 -2.121 0.052 103 H THR 15 HN THR 15 -13.105 -4.140 4.299 104 HA THR 15 HA THR 15 -14.677 -3.244 1.919 105 HB THR 15 HB THR 15 -16.113 -5.358 2.529 106 HG1 THR 15 HG1 THR 15 -15.191 -6.764 3.802 107 1HG2 THR 15 HG21 THR 15 -14.554 -6.787 1.126 108 2HG2 THR 15 HG22 THR 15 -13.395 -5.459 1.198 109 3HG2 THR 15 HG23 THR 15 -14.961 -5.222 0.422 110 H GLY 16 HN GLY 16 -15.317 -1.366 3.146 111 1HA GLY 16 HA2 GLY 16 -17.211 -0.426 4.306 112 2HA GLY 16 HA1 GLY 16 -17.421 -1.959 5.150 113 H LEU 17 HN LEU 17 -14.306 -0.334 4.848 114 HA LEU 17 HA LEU 17 -14.358 0.092 7.813 115 1HB LEU 17 HB2 LEU 17 -12.311 -0.769 5.798 116 2HB LEU 17 HB1 LEU 17 -11.759 0.022 7.267 117 HG LEU 17 HG LEU 17 -13.702 -2.286 7.340 118 1HD1 LEU 17 HD21 LEU 17 -10.713 -2.549 7.679 119 2HD1 LEU 17 HD22 LEU 17 -11.491 -2.808 6.118 120 3HD1 LEU 17 HD23 LEU 17 -11.907 -3.833 7.491 121 1HD2 LEU 17 HD11 LEU 17 -12.583 -2.511 9.615 122 2HD2 LEU 17 HD12 LEU 17 -13.554 -1.056 9.391 123 3HD2 LEU 17 HD13 LEU 17 -11.797 -0.969 9.280 124 HA PRO 18 HA PRO 18 -13.687 4.385 7.405 125 1HB PRO 18 HB2 PRO 18 -11.475 4.849 9.032 126 2HB PRO 18 HB1 PRO 18 -13.130 4.625 9.627 127 1HG PRO 18 HG2 PRO 18 -10.879 2.676 9.491 128 2HG PRO 18 HG1 PRO 18 -12.113 2.891 10.741 129 1HD PRO 18 HD1 PRO 18 -12.212 0.896 8.931 130 2HD PRO 18 HD2 PRO 18 -13.676 1.656 9.586 131 H GLY 19 HN GLY 19 -10.260 3.607 7.906 132 1HA GLY 19 HA1 GLY 19 -9.187 5.381 6.081 133 2HA GLY 19 HA2 GLY 19 -8.397 3.862 6.490 134 H THR 20 HN THR 20 -10.740 2.330 5.316 135 HA THR 20 HA THR 20 -9.725 1.745 2.773 136 HB THR 20 HB THR 20 -12.555 1.669 3.879 137 HG1 THR 20 HG1 THR 20 -11.805 -0.652 3.935 138 1HG2 THR 20 HG21 THR 20 -11.476 0.945 1.235 139 2HG2 THR 20 HG22 THR 20 -13.149 1.194 1.736 140 3HG2 THR 20 HG23 THR 20 -12.365 -0.359 2.022 141 H GLU 21 HN GLU 21 -12.227 4.154 3.615 142 HA GLU 21 HA GLU 21 -12.750 4.976 0.901 143 1HB GLU 21 HB1 GLU 21 -14.263 5.348 2.816 144 2HB GLU 21 HB2 GLU 21 -13.058 6.386 3.574 145 1HG GLU 21 HG1 GLU 21 -13.166 7.768 1.385 146 2HG GLU 21 HG2 GLU 21 -14.665 6.894 1.072 147 H LYS 22 HN LYS 22 -10.407 5.976 3.357 148 HA LYS 22 HA LYS 22 -9.508 8.383 2.067 149 1HB LYS 22 HB1 LYS 22 -8.253 6.388 3.982 150 2HB LYS 22 HB2 LYS 22 -7.483 7.913 3.547 151 1HG LYS 22 HG1 LYS 22 -9.405 9.162 4.402 152 2HG LYS 22 HG2 LYS 22 -10.242 7.655 4.769 153 1HD LYS 22 HD2 LYS 22 -8.021 7.153 6.138 154 2HD LYS 22 HD1 LYS 22 -7.904 8.912 6.153 155 1HE LYS 22 HE1 LYS 22 -10.040 9.129 7.245 156 2HE LYS 22 HE2 LYS 22 -10.409 7.413 6.990 157 1HZ LYS 22 HZ1 LYS 22 -8.524 6.815 8.347 158 2HZ LYS 22 HZ2 LYS 22 -9.520 7.866 9.234 159 3HZ LYS 22 HZ3 LYS 22 -8.084 8.444 8.536 160 H LEU 23 HN LEU 23 -8.881 4.991 1.505 161 HA LEU 23 HA LEU 23 -6.385 5.184 0.116 162 1HB LEU 23 HB2 LEU 23 -8.749 3.291 -0.186 163 2HB LEU 23 HB1 LEU 23 -7.120 2.972 -0.782 164 HG LEU 23 HG LEU 23 -7.876 3.445 2.118 165 1HD1 LEU 23 HD21 LEU 23 -8.587 1.240 1.118 166 2HD1 LEU 23 HD22 LEU 23 -7.428 1.094 2.439 167 3HD1 LEU 23 HD23 LEU 23 -6.888 0.918 0.770 168 1HD2 LEU 23 HD11 LEU 23 -5.685 4.160 2.075 169 2HD2 LEU 23 HD12 LEU 23 -5.291 3.205 0.646 170 3HD2 LEU 23 HD13 LEU 23 -5.404 2.426 2.224 171 H ASN 24 HN ASN 24 -5.951 5.988 -1.906 172 HA ASN 24 HA ASN 24 -7.771 7.478 -3.454 173 1HB ASN 24 HB2 ASN 24 -5.154 7.154 -3.467 174 2HB ASN 24 HB1 ASN 24 -5.499 5.917 -4.675 175 1HD2 ASN 24 HD21 ASN 24 -6.290 9.366 -3.959 176 2HD2 ASN 24 HD22 ASN 24 -6.331 9.847 -5.586 177 H GLU 25 HN GLU 25 -8.017 6.710 -5.968 178 HA GLU 25 HA GLU 25 -9.974 4.582 -5.939 179 1HB GLU 25 HB2 GLU 25 -9.224 6.728 -7.548 180 2HB GLU 25 HB1 GLU 25 -8.799 5.325 -8.530 181 1HG GLU 25 HG1 GLU 25 -10.993 4.595 -8.681 182 2HG GLU 25 HG2 GLU 25 -11.454 5.335 -7.148 183 H LYS 26 HN LYS 26 -6.569 4.796 -6.933 184 HA LYS 26 HA LYS 26 -6.531 2.054 -7.983 185 1HB LYS 26 HB1 LYS 26 -4.804 4.436 -7.802 186 2HB LYS 26 HB2 LYS 26 -3.920 2.918 -7.643 187 1HG LYS 26 HG2 LYS 26 -5.468 2.240 -9.715 188 2HG LYS 26 HG1 LYS 26 -5.461 3.985 -9.969 189 1HD LYS 26 HD1 LYS 26 -2.919 3.872 -9.742 190 2HD LYS 26 HD2 LYS 26 -3.082 2.119 -9.852 191 1HE LYS 26 HE2 LYS 26 -4.650 3.182 -11.962 192 2HE LYS 26 HE1 LYS 26 -3.105 4.053 -11.994 193 1HZ LYS 26 HZ1 LYS 26 -3.552 1.118 -12.006 194 2HZ LYS 26 HZ2 LYS 26 -2.043 1.805 -11.637 195 3HZ LYS 26 HZ3 LYS 26 -2.736 2.052 -13.167 196 H GLU 27 HN GLU 27 -5.557 3.738 -5.014 197 HA GLU 27 HA GLU 27 -4.085 1.584 -3.821 198 1HB GLU 27 HB2 GLU 27 -5.703 3.895 -2.688 199 2HB GLU 27 HB1 GLU 27 -4.612 2.896 -1.727 200 1HG GLU 27 HG2 GLU 27 -2.844 3.503 -3.550 201 2HG GLU 27 HG1 GLU 27 -3.947 4.820 -3.946 202 H LYS 28 HN LYS 28 -7.541 2.425 -3.819 203 HA LYS 28 HA LYS 28 -8.458 0.603 -1.845 204 1HB LYS 28 HB2 LYS 28 -9.579 1.801 -4.384 205 2HB LYS 28 HB1 LYS 28 -10.548 0.692 -3.413 206 1HG LYS 28 HG2 LYS 28 -10.330 2.137 -1.463 207 2HG LYS 28 HG1 LYS 28 -9.225 3.200 -2.335 208 1HD LYS 28 HD2 LYS 28 -11.376 4.251 -2.431 209 2HD LYS 28 HD1 LYS 28 -11.101 3.551 -4.026 210 1HE LYS 28 HE1 LYS 28 -12.291 1.469 -2.597 211 2HE LYS 28 HE2 LYS 28 -13.180 2.913 -2.073 212 1HZ LYS 28 HZ1 LYS 28 -12.726 1.923 -4.830 213 2HZ LYS 28 HZ2 LYS 28 -13.145 3.541 -4.530 214 3HZ LYS 28 HZ3 LYS 28 -14.201 2.292 -4.075 215 H GLU 29 HN GLU 29 -8.216 0.126 -5.393 216 HA GLU 29 HA GLU 29 -8.921 -2.648 -5.392 217 1HB GLU 29 HB2 GLU 29 -7.161 -0.985 -7.234 218 2HB GLU 29 HB1 GLU 29 -7.858 -2.550 -7.651 219 1HG GLU 29 HG1 GLU 29 -10.071 -1.701 -7.607 220 2HG GLU 29 HG2 GLU 29 -9.585 -0.251 -6.729 221 H LEU 30 HN LEU 30 -5.809 -0.968 -5.045 222 HA LEU 30 HA LEU 30 -4.044 -3.171 -5.235 223 1HB LEU 30 HB2 LEU 30 -3.313 -0.851 -5.138 224 2HB LEU 30 HB1 LEU 30 -4.032 -0.644 -3.543 225 HG LEU 30 HG LEU 30 -2.451 -2.502 -2.752 226 1HD1 LEU 30 HD11 LEU 30 -1.039 -3.469 -4.221 227 2HD1 LEU 30 HD12 LEU 30 -0.487 -1.897 -4.801 228 3HD1 LEU 30 HD13 LEU 30 -1.920 -2.642 -5.507 229 1HD2 LEU 30 HD21 LEU 30 -1.990 -0.248 -2.100 230 2HD2 LEU 30 HD22 LEU 30 -1.461 0.185 -3.725 231 3HD2 LEU 30 HD23 LEU 30 -0.474 -0.888 -2.733 232 H CYS 31 HN CYS 31 -5.770 -1.889 -2.369 233 HA CYS 31 HA CYS 31 -4.726 -3.921 -0.572 234 1HB CYS 31 HB2 CYS 31 -5.661 -1.543 -0.126 235 2HB CYS 31 HB1 CYS 31 -7.256 -2.289 -0.245 236 HG CYS 31 HG CYS 31 -6.530 -3.889 1.760 237 H GLN 32 HN GLN 32 -7.840 -3.478 -2.284 238 HA GLN 32 HA GLN 32 -9.162 -5.764 -1.207 239 1HB GLN 32 HB2 GLN 32 -9.361 -4.237 -3.820 240 2HB GLN 32 HB1 GLN 32 -10.512 -5.493 -3.357 241 1HG GLN 32 HG2 GLN 32 -11.074 -4.260 -1.315 242 2HG GLN 32 HG1 GLN 32 -9.871 -3.030 -1.702 243 1HE2 GLN 32 HE21 GLN 32 -10.246 -2.093 -4.091 244 2HE2 GLN 32 HE22 GLN 32 -11.859 -1.726 -4.469 245 H VAL 33 HN VAL 33 -6.530 -5.555 -3.425 246 HA VAL 33 HA VAL 33 -7.014 -8.246 -4.585 247 HB VAL 33 HB VAL 33 -4.834 -6.144 -4.893 248 1HG1 VAL 33 HG11 VAL 33 -5.103 -8.933 -5.879 249 2HG1 VAL 33 HG12 VAL 33 -3.649 -7.979 -5.582 250 3HG1 VAL 33 HG13 VAL 33 -4.575 -7.738 -7.064 251 1HG2 VAL 33 HG21 VAL 33 -5.920 -5.461 -6.844 252 2HG2 VAL 33 HG22 VAL 33 -7.289 -5.846 -5.801 253 3HG2 VAL 33 HG23 VAL 33 -6.765 -6.997 -7.030 254 H VAL 34 HN VAL 34 -4.327 -6.557 -2.938 255 HA VAL 34 HA VAL 34 -3.302 -9.079 -1.824 256 HB VAL 34 HB VAL 34 -1.841 -7.216 -2.585 257 1HG1 VAL 34 HG11 VAL 34 -2.244 -5.445 -0.338 258 2HG1 VAL 34 HG12 VAL 34 -3.743 -5.628 -1.250 259 3HG1 VAL 34 HG13 VAL 34 -2.278 -5.075 -2.062 260 1HG2 VAL 34 HG21 VAL 34 -1.674 -7.471 0.421 261 2HG2 VAL 34 HG22 VAL 34 -0.350 -7.194 -0.711 262 3HG2 VAL 34 HG23 VAL 34 -1.178 -8.753 -0.682 263 H ARG 35 HN ARG 35 -5.243 -9.659 -0.665 264 HA ARG 35 HA ARG 35 -6.981 -8.570 0.977 265 1HB ARG 35 HB2 ARG 35 -6.697 -10.526 2.508 266 2HB ARG 35 HB1 ARG 35 -6.590 -10.974 0.804 267 1HG ARG 35 HG2 ARG 35 -3.999 -10.198 1.592 268 2HG ARG 35 HG1 ARG 35 -4.600 -11.259 2.867 269 1HD ARG 35 HD1 ARG 35 -5.422 -12.588 0.591 270 2HD ARG 35 HD2 ARG 35 -3.860 -11.914 0.088 271 HE ARG 35 HE ARG 35 -3.615 -12.961 2.741 272 1HH1 ARG 35 HH21 ARG 35 -4.023 -14.000 -0.557 273 2HH1 ARG 35 HH22 ARG 35 -3.230 -15.514 -0.293 274 1HH2 ARG 35 HH11 ARG 35 -2.590 -14.933 3.058 275 2HH2 ARG 35 HH12 ARG 35 -2.425 -16.040 1.736 276 H LEU 36 HN LEU 36 -6.495 -6.558 1.916 277 HA LEU 36 HA LEU 36 -4.954 -6.695 4.464 278 1HB LEU 36 HB1 LEU 36 -4.101 -5.479 1.970 279 2HB LEU 36 HB2 LEU 36 -4.260 -4.248 3.215 280 HG LEU 36 HG LEU 36 -3.019 -6.506 4.425 281 1HD1 LEU 36 HD21 LEU 36 -2.181 -5.969 1.621 282 2HD1 LEU 36 HD22 LEU 36 -2.075 -7.458 2.560 283 3HD1 LEU 36 HD23 LEU 36 -0.889 -6.175 2.803 284 1HD2 LEU 36 HD11 LEU 36 -1.398 -4.921 5.033 285 2HD2 LEU 36 HD12 LEU 36 -2.821 -3.919 4.747 286 3HD2 LEU 36 HD13 LEU 36 -1.561 -4.033 3.517 287 H VAL 37 HN VAL 37 -5.333 -4.670 5.774 288 HA VAL 37 HA VAL 37 -8.089 -3.639 5.296 289 HB VAL 37 HB VAL 37 -6.762 -4.749 7.482 290 1HG1 VAL 37 HG11 VAL 37 -6.961 -2.867 9.205 291 2HG1 VAL 37 HG12 VAL 37 -6.905 -1.753 7.842 292 3HG1 VAL 37 HG13 VAL 37 -5.547 -2.829 8.157 293 1HG2 VAL 37 HG21 VAL 37 -9.341 -3.670 6.806 294 2HG2 VAL 37 HG22 VAL 37 -8.966 -3.319 8.493 295 3HG2 VAL 37 HG23 VAL 37 -8.941 -4.984 7.913 296 HA PRO 38 HA PRO 38 -6.603 0.355 4.421 297 1HB PRO 38 HB1 PRO 38 -8.186 2.080 5.757 298 2HB PRO 38 HB2 PRO 38 -8.790 1.057 4.442 299 1HG PRO 38 HG1 PRO 38 -8.967 0.679 7.367 300 2HG PRO 38 HG2 PRO 38 -10.217 0.426 6.150 301 1HD PRO 38 HD1 PRO 38 -8.744 -1.575 7.282 302 2HD PRO 38 HD2 PRO 38 -9.428 -1.684 5.647 303 H GLY 39 HN GLY 39 -7.169 0.325 7.956 304 1HA GLY 39 HA1 GLY 39 -5.283 2.372 8.566 305 2HA GLY 39 HA2 GLY 39 -5.813 1.127 9.697 306 H ALA 40 HN ALA 40 -4.913 -1.030 7.848 307 HA ALA 40 HA ALA 40 -2.197 -1.304 8.837 308 1HB ALA 40 HB1 ALA 40 -3.600 -3.243 8.511 309 2HB ALA 40 HB2 ALA 40 -2.319 -3.346 7.302 310 3HB ALA 40 HB3 ALA 40 -3.928 -2.794 6.837 311 H TYR 41 HN TYR 41 -3.346 -1.378 5.446 312 HA TYR 41 HA TYR 41 -0.864 -0.849 4.208 313 1HB TYR 41 HB2 TYR 41 -2.914 -1.589 3.073 314 2HB TYR 41 HB1 TYR 41 -3.700 -0.057 3.446 315 HD1 TYR 41 HD1 TYR 41 -1.061 -1.695 1.439 316 HD2 TYR 41 HD2 TYR 41 -3.160 1.968 2.233 317 HE1 TYR 41 HE1 TYR 41 -0.099 -0.698 -0.619 318 HE2 TYR 41 HE2 TYR 41 -2.198 2.965 0.176 319 HH TYR 41 HH TYR 41 0.398 1.824 -1.377 320 H LEU 42 HN LEU 42 -3.343 1.408 5.411 321 HA LEU 42 HA LEU 42 -2.217 3.857 4.542 322 1HB LEU 42 HB2 LEU 42 -4.429 3.604 5.578 323 2HB LEU 42 HB1 LEU 42 -3.691 3.071 7.087 324 HG LEU 42 HG LEU 42 -2.416 5.476 6.611 325 1HD1 LEU 42 HD11 LEU 42 -5.256 5.556 5.595 326 2HD1 LEU 42 HD12 LEU 42 -3.803 6.214 4.842 327 3HD1 LEU 42 HD13 LEU 42 -4.487 6.993 6.269 328 1HD2 LEU 42 HD21 LEU 42 -3.115 5.633 8.746 329 2HD2 LEU 42 HD22 LEU 42 -4.258 4.317 8.478 330 3HD2 LEU 42 HD23 LEU 42 -4.746 5.985 8.176 331 H GLU 43 HN GLU 43 -1.398 1.757 7.276 332 HA GLU 43 HA GLU 43 0.556 3.647 8.395 333 1HB GLU 43 HB2 GLU 43 -0.888 1.409 9.238 334 2HB GLU 43 HB1 GLU 43 0.771 0.821 9.150 335 1HG GLU 43 HG1 GLU 43 0.179 3.463 10.461 336 2HG GLU 43 HG2 GLU 43 -0.052 1.962 11.358 337 H TYR 44 HN TYR 44 0.787 0.421 6.840 338 HA TYR 44 HA TYR 44 3.565 0.199 6.596 339 1HB TYR 44 HB1 TYR 44 1.289 -0.564 4.734 340 2HB TYR 44 HB2 TYR 44 2.936 -1.160 4.535 341 HD1 TYR 44 HD1 TYR 44 3.875 -1.669 7.214 342 HD2 TYR 44 HD2 TYR 44 -0.042 -2.297 5.569 343 HE1 TYR 44 HE1 TYR 44 3.442 -3.421 8.915 344 HE2 TYR 44 HE2 TYR 44 -0.476 -4.050 7.269 345 HH TYR 44 HH TYR 44 0.834 -4.398 9.921 346 H LYS 45 HN LYS 45 1.325 2.130 4.654 347 HA LYS 45 HA LYS 45 3.285 2.872 2.633 348 1HB LYS 45 HB2 LYS 45 0.573 2.911 2.867 349 2HB LYS 45 HB1 LYS 45 0.934 4.597 3.237 350 1HG LYS 45 HG2 LYS 45 2.562 4.107 1.064 351 2HG LYS 45 HG1 LYS 45 1.126 3.159 0.681 352 1HD LYS 45 HD1 LYS 45 -0.300 5.094 0.923 353 2HD LYS 45 HD2 LYS 45 1.033 6.058 1.557 354 1HE LYS 45 HE2 LYS 45 2.104 6.182 -0.552 355 2HE LYS 45 HE1 LYS 45 1.191 4.797 -1.189 356 1HZ LYS 45 HZ1 LYS 45 0.365 7.088 -1.855 357 2HZ LYS 45 HZ2 LYS 45 -0.130 7.280 -0.242 358 3HZ LYS 45 HZ3 LYS 45 -0.794 6.039 -1.192 359 H SER 46 HN SER 46 1.946 4.431 5.560 360 HA SER 46 HA SER 46 3.327 6.915 5.344 361 1HB SER 46 HB2 SER 46 1.698 5.457 7.181 362 2HB SER 46 HB1 SER 46 3.094 6.056 8.075 363 HG SER 46 HG SER 46 0.975 7.406 7.335 364 H ALA 47 HN ALA 47 4.253 3.927 7.089 365 HA ALA 47 HA ALA 47 6.751 4.817 8.095 366 1HB ALA 47 HB1 ALA 47 5.245 2.355 7.677 367 2HB ALA 47 HB2 ALA 47 6.369 2.758 8.975 368 3HB ALA 47 HB3 ALA 47 6.975 2.084 7.462 369 H LEU 48 HN LEU 48 6.205 2.791 5.180 370 HA LEU 48 HA LEU 48 8.819 2.807 4.156 371 1HB LEU 48 HB2 LEU 48 6.103 2.892 2.797 372 2HB LEU 48 HB1 LEU 48 7.599 2.482 1.959 373 HG LEU 48 HG LEU 48 6.455 1.016 4.357 374 1HD1 LEU 48 HD21 LEU 48 5.178 0.048 2.753 375 2HD1 LEU 48 HD22 LEU 48 6.667 -0.750 2.246 376 3HD1 LEU 48 HD23 LEU 48 6.145 0.735 1.450 377 1HD2 LEU 48 HD11 LEU 48 8.656 0.481 4.621 378 2HD2 LEU 48 HD12 LEU 48 9.075 0.979 2.982 379 3HD2 LEU 48 HD13 LEU 48 8.357 -0.606 3.266 380 H LEU 49 HN LEU 49 6.191 5.130 3.408 381 HA LEU 49 HA LEU 49 7.589 6.850 1.672 382 1HB LEU 49 HB2 LEU 49 5.302 6.960 3.571 383 2HB LEU 49 HB1 LEU 49 5.976 8.524 3.124 384 HG LEU 49 HG LEU 49 4.112 7.764 1.625 385 1HD1 LEU 49 HD11 LEU 49 6.854 8.064 0.371 386 2HD1 LEU 49 HD12 LEU 49 5.747 9.367 0.800 387 3HD1 LEU 49 HD13 LEU 49 5.328 8.243 -0.493 388 1HD2 LEU 49 HD21 LEU 49 4.388 5.412 1.496 389 2HD2 LEU 49 HD22 LEU 49 6.089 5.550 1.057 390 3HD2 LEU 49 HD23 LEU 49 4.843 6.007 -0.099 391 H ASN 50 HN ASN 50 7.565 6.750 5.224 392 HA ASN 50 HA ASN 50 9.132 9.144 5.605 393 1HB ASN 50 HB2 ASN 50 7.583 7.861 7.212 394 2HB ASN 50 HB1 ASN 50 8.923 6.737 7.436 395 1HD2 ASN 50 HD21 ASN 50 10.038 7.259 9.321 396 2HD2 ASN 50 HD22 ASN 50 10.366 8.835 9.858 397 H GLU 51 HN GLU 51 10.078 5.716 6.147 398 HA GLU 51 HA GLU 51 12.835 6.124 6.460 399 1HB GLU 51 HB1 GLU 51 11.408 4.030 6.756 400 2HB GLU 51 HB2 GLU 51 11.511 3.808 5.009 401 1HG GLU 51 HG2 GLU 51 13.690 3.139 5.098 402 2HG GLU 51 HG1 GLU 51 14.096 4.304 6.358 403 H CYS 52 HN CYS 52 11.026 5.576 3.419 404 HA CYS 52 HA CYS 52 13.221 5.449 1.639 405 1HB CYS 52 HB1 CYS 52 10.869 4.946 1.087 406 2HB CYS 52 HB2 CYS 52 10.445 6.644 1.298 407 HG CYS 52 HG CYS 52 12.454 6.873 -0.714 408 H HIS 53 HN HIS 53 11.347 8.335 2.661 409 HA HIS 53 HA HIS 53 13.036 10.191 1.192 410 1HB HIS 53 HB1 HIS 53 10.579 10.366 2.028 411 2HB HIS 53 HB2 HIS 53 11.289 10.803 3.582 412 HD1 HIS 53 HD1 HIS 53 10.941 12.021 0.036 413 HD2 HIS 53 HD2 HIS 53 12.476 13.376 3.668 414 HE1 HIS 53 HE1 HIS 53 11.461 14.480 -0.278 415 H LYS 54 HN LYS 54 13.085 8.774 4.394 416 HA LYS 54 HA LYS 54 14.858 10.664 5.651 417 1HB LYS 54 HB1 LYS 54 13.425 8.255 6.213 418 2HB LYS 54 HB2 LYS 54 15.099 7.991 6.688 419 1HG LYS 54 HG2 LYS 54 14.855 10.390 7.757 420 2HG LYS 54 HG1 LYS 54 13.132 10.014 7.707 421 1HD LYS 54 HD2 LYS 54 14.036 9.295 9.849 422 2HD LYS 54 HD1 LYS 54 13.617 7.870 8.901 423 1HE LYS 54 HE2 LYS 54 16.269 8.483 8.168 424 2HE LYS 54 HE1 LYS 54 16.212 8.655 9.933 425 1HZ LYS 54 HZ1 LYS 54 15.072 6.363 8.415 426 2HZ LYS 54 HZ2 LYS 54 15.146 6.519 10.105 427 3HZ LYS 54 HZ3 LYS 54 16.575 6.331 9.206 428 H GLN 55 HN GLN 55 15.404 7.584 3.930 429 HA GLN 55 HA GLN 55 18.329 7.822 4.285 430 1HB GLN 55 HB1 GLN 55 16.332 5.834 3.247 431 2HB GLN 55 HB2 GLN 55 18.011 5.673 2.732 432 1HG GLN 55 HG1 GLN 55 18.134 6.163 5.498 433 2HG GLN 55 HG2 GLN 55 16.812 5.013 5.290 434 1HE2 GLN 55 HE22 GLN 55 17.681 2.961 5.660 435 2HE2 GLN 55 HE21 GLN 55 19.135 2.390 4.996 436 H GLY 56 HN GLY 56 15.920 8.020 1.667 437 1HA GLY 56 HA1 GLY 56 16.417 9.741 -0.100 438 2HA GLY 56 HA2 GLY 56 18.075 9.140 -0.084 439 H GLY 57 HN GLY 57 15.002 7.336 -0.050 440 1HA GLY 57 HA1 GLY 57 14.123 6.294 -2.122 441 2HA GLY 57 HA2 GLY 57 15.791 6.136 -2.675 442 H LEU 58 HN LEU 58 14.040 3.904 -2.513 443 HA LEU 58 HA LEU 58 15.584 2.211 -0.647 444 1HB LEU 58 HB1 LEU 58 13.251 3.463 0.186 445 2HB LEU 58 HB2 LEU 58 12.690 1.861 -0.293 446 HG LEU 58 HG LEU 58 15.069 1.371 1.084 447 1HD1 LEU 58 HD21 LEU 58 15.204 3.565 2.021 448 2HD1 LEU 58 HD22 LEU 58 14.530 2.546 3.292 449 3HD1 LEU 58 HD23 LEU 58 13.474 3.604 2.357 450 1HD2 LEU 58 HD11 LEU 58 13.241 -0.097 1.323 451 2HD2 LEU 58 HD12 LEU 58 12.144 1.203 1.786 452 3HD2 LEU 58 HD13 LEU 58 13.384 0.653 2.914 453 H ARG 59 HN ARG 59 15.929 0.297 -1.681 454 HA ARG 59 HA ARG 59 14.857 -0.365 -4.226 455 1HB ARG 59 HB1 ARG 59 16.793 -1.278 -2.433 456 2HB ARG 59 HB2 ARG 59 15.680 -2.640 -2.571 457 1HG ARG 59 HG2 ARG 59 15.853 -2.513 -5.040 458 2HG ARG 59 HG1 ARG 59 16.996 -1.178 -4.883 459 1HD ARG 59 HD2 ARG 59 18.551 -2.652 -3.640 460 2HD ARG 59 HD1 ARG 59 17.403 -3.994 -3.803 461 HE ARG 59 HE ARG 59 19.103 -2.927 -5.926 462 1HH1 ARG 59 HH12 ARG 59 16.087 -4.498 -5.181 463 2HH1 ARG 59 HH11 ARG 59 15.948 -5.216 -6.748 464 1HH2 ARG 59 HH22 ARG 59 18.900 -3.872 -7.953 465 2HH2 ARG 59 HH21 ARG 59 17.526 -4.867 -8.307 466 H LEU 60 HN LEU 60 13.598 -2.466 -4.635 467 HA LEU 60 HA LEU 60 11.072 -2.363 -3.161 468 1HB LEU 60 HB2 LEU 60 11.137 -2.638 -5.582 469 2HB LEU 60 HB1 LEU 60 12.180 -4.050 -5.436 470 HG LEU 60 HG LEU 60 10.401 -5.328 -4.391 471 1HD1 LEU 60 HD11 LEU 60 8.674 -2.847 -4.640 472 2HD1 LEU 60 HD12 LEU 60 9.421 -3.379 -3.132 473 3HD1 LEU 60 HD13 LEU 60 8.213 -4.393 -3.922 474 1HD2 LEU 60 HD21 LEU 60 8.908 -3.941 -6.583 475 2HD2 LEU 60 HD22 LEU 60 9.138 -5.668 -6.300 476 3HD2 LEU 60 HD23 LEU 60 10.448 -4.705 -6.983 477 H ALA 61 HN ALA 61 13.873 -4.521 -3.352 478 HA ALA 61 HA ALA 61 12.731 -6.737 -1.899 479 1HB ALA 61 HB1 ALA 61 14.883 -7.581 -2.129 480 2HB ALA 61 HB2 ALA 61 15.637 -6.037 -1.728 481 3HB ALA 61 HB3 ALA 61 14.965 -6.299 -3.337 482 H GLN 62 HN GLN 62 14.841 -4.027 -0.872 483 HA GLN 62 HA GLN 62 15.043 -4.580 1.877 484 1HB GLN 62 HB2 GLN 62 15.132 -2.238 0.059 485 2HB GLN 62 HB1 GLN 62 14.820 -1.843 1.749 486 1HG GLN 62 HG1 GLN 62 17.111 -3.579 0.777 487 2HG GLN 62 HG2 GLN 62 17.257 -1.874 1.206 488 1HE2 GLN 62 HE21 GLN 62 16.721 -1.302 3.521 489 2HE2 GLN 62 HE22 GLN 62 16.940 -2.474 4.729 490 H ALA 63 HN ALA 63 12.306 -3.455 0.023 491 HA ALA 63 HA ALA 63 10.746 -2.550 2.324 492 1HB ALA 63 HB1 ALA 63 10.727 -1.933 -0.250 493 2HB ALA 63 HB2 ALA 63 9.219 -1.931 0.664 494 3HB ALA 63 HB3 ALA 63 9.627 -3.308 -0.359 495 H ARG 64 HN ARG 64 10.927 -5.455 0.292 496 HA ARG 64 HA ARG 64 8.632 -6.814 1.257 497 1HB ARG 64 HB2 ARG 64 11.234 -7.449 -0.031 498 2HB ARG 64 HB1 ARG 64 10.446 -8.794 0.785 499 1HG ARG 64 HG1 ARG 64 9.648 -8.814 -1.462 500 2HG ARG 64 HG2 ARG 64 8.335 -8.204 -0.456 501 1HD ARG 64 HD1 ARG 64 8.295 -6.544 -2.024 502 2HD ARG 64 HD2 ARG 64 9.620 -5.871 -1.066 503 HE ARG 64 HE ARG 64 11.061 -6.440 -2.849 504 1HH1 ARG 64 HH12 ARG 64 8.197 -8.413 -2.938 505 2HH1 ARG 64 HH11 ARG 64 8.663 -9.217 -4.396 506 1HH2 ARG 64 HH21 ARG 64 11.643 -7.497 -4.743 507 2HH2 ARG 64 HH22 ARG 64 10.596 -8.705 -5.411 508 H ALA 65 HN ALA 65 11.893 -6.503 2.595 509 HA ALA 65 HA ALA 65 11.239 -8.279 4.872 510 1HB ALA 65 HB1 ALA 65 13.439 -8.543 4.119 511 2HB ALA 65 HB2 ALA 65 13.675 -7.386 5.428 512 3HB ALA 65 HB3 ALA 65 13.624 -6.827 3.756 513 H LEU 66 HN LEU 66 10.662 -5.032 4.159 514 HA LEU 66 HA LEU 66 11.260 -4.010 6.861 515 1HB LEU 66 HB2 LEU 66 11.285 -2.951 4.339 516 2HB LEU 66 HB1 LEU 66 9.713 -2.395 4.906 517 HG LEU 66 HG LEU 66 12.251 -2.063 6.518 518 1HD1 LEU 66 HD21 LEU 66 12.813 -0.273 5.268 519 2HD1 LEU 66 HD22 LEU 66 11.185 0.390 5.417 520 3HD1 LEU 66 HD23 LEU 66 11.563 -0.741 4.116 521 1HD2 LEU 66 HD11 LEU 66 10.915 -0.490 7.793 522 2HD2 LEU 66 HD12 LEU 66 10.026 -2.010 7.685 523 3HD2 LEU 66 HD13 LEU 66 9.574 -0.648 6.658 524 H ILE 67 HN ILE 67 8.281 -3.629 4.893 525 HA ILE 67 HA ILE 67 6.698 -3.734 7.397 526 HB ILE 67 HB ILE 67 4.921 -2.860 5.918 527 1HG1 ILE 67 HG12 ILE 67 6.933 -3.006 3.663 528 2HG1 ILE 67 HG11 ILE 67 5.714 -4.253 3.928 529 1HG2 ILE 67 HG21 ILE 67 7.160 -1.541 6.714 530 2HG2 ILE 67 HG22 ILE 67 5.822 -0.762 5.868 531 3HG2 ILE 67 HG23 ILE 67 7.247 -1.287 4.971 532 1HD1 ILE 67 HD11 ILE 67 3.985 -2.889 3.277 533 2HD1 ILE 67 HD12 ILE 67 5.270 -2.100 2.363 534 3HD1 ILE 67 HD13 ILE 67 4.756 -1.438 3.915 535 H LYS 68 HN LYS 68 4.300 -4.682 6.500 536 HA LYS 68 HA LYS 68 3.097 -6.684 6.210 537 1HB LYS 68 HB2 LYS 68 5.377 -6.909 4.235 538 2HB LYS 68 HB1 LYS 68 4.012 -8.022 4.251 539 1HG LYS 68 HG2 LYS 68 3.690 -5.017 4.081 540 2HG LYS 68 HG1 LYS 68 3.759 -6.060 2.662 541 1HD LYS 68 HD2 LYS 68 1.499 -6.183 2.952 542 2HD LYS 68 HD1 LYS 68 1.913 -7.382 4.173 543 1HE LYS 68 HE1 LYS 68 2.185 -5.072 5.616 544 2HE LYS 68 HE2 LYS 68 0.861 -4.638 4.518 545 1HZ LYS 68 HZ1 LYS 68 -0.322 -6.597 5.124 546 2HZ LYS 68 HZ2 LYS 68 0.147 -5.848 6.574 547 3HZ LYS 68 HZ3 LYS 68 0.993 -7.207 6.007 548 H ILE 69 HN ILE 69 3.829 -9.265 5.728 549 HA ILE 69 HA ILE 69 5.738 -9.938 7.938 550 HB ILE 69 HB ILE 69 3.981 -11.909 8.216 551 1HG1 ILE 69 HG12 ILE 69 1.670 -11.184 7.744 552 2HG1 ILE 69 HG11 ILE 69 2.281 -9.727 6.962 553 1HG2 ILE 69 HG21 ILE 69 3.572 -9.052 9.102 554 2HG2 ILE 69 HG22 ILE 69 4.414 -10.336 9.971 555 3HG2 ILE 69 HG23 ILE 69 2.665 -10.413 9.758 556 1HD1 ILE 69 HD11 ILE 69 3.392 -12.293 5.984 557 2HD1 ILE 69 HD12 ILE 69 2.932 -10.848 5.081 558 3HD1 ILE 69 HD13 ILE 69 1.698 -11.991 5.609 559 H ASP 70 HN ASP 70 4.855 -10.500 4.668 560 HA ASP 70 HA ASP 70 6.473 -13.024 4.664 561 1HB ASP 70 HB1 ASP 70 3.857 -12.242 3.529 562 2HB ASP 70 HB2 ASP 70 4.895 -13.158 2.436 563 H VAL 71 HN VAL 71 5.305 -11.308 1.826 564 HA VAL 71 HA VAL 71 7.718 -9.854 1.223 565 HB VAL 71 HB VAL 71 8.003 -11.712 -0.804 566 1HG1 VAL 71 HG11 VAL 71 10.017 -11.157 -0.010 567 2HG1 VAL 71 HG12 VAL 71 9.840 -12.556 1.049 568 3HG1 VAL 71 HG13 VAL 71 9.416 -10.946 1.633 569 1HG2 VAL 71 HG21 VAL 71 6.413 -13.179 0.713 570 2HG2 VAL 71 HG22 VAL 71 7.899 -13.464 1.622 571 3HG2 VAL 71 HG23 VAL 71 7.812 -13.905 -0.083 572 H ASN 72 HN ASN 72 5.431 -11.983 -0.466 573 HA ASN 72 HA ASN 72 5.096 -10.269 -2.721 574 1HB ASN 72 HB1 ASN 72 4.418 -12.793 -2.093 575 2HB ASN 72 HB2 ASN 72 2.874 -12.024 -1.731 576 1HD2 ASN 72 HD22 ASN 72 1.704 -11.010 -3.523 577 2HD2 ASN 72 HD21 ASN 72 2.113 -11.338 -5.138 578 H LYS 73 HN LYS 73 3.781 -10.229 0.501 579 HA LYS 73 HA LYS 73 1.422 -8.646 0.071 580 1HB LYS 73 HB2 LYS 73 3.297 -8.600 2.448 581 2HB LYS 73 HB1 LYS 73 1.562 -8.327 2.466 582 1HG LYS 73 HG1 LYS 73 3.066 -10.919 2.151 583 2HG LYS 73 HG2 LYS 73 1.815 -10.502 3.306 584 1HD LYS 73 HD1 LYS 73 0.288 -11.439 1.968 585 2HD LYS 73 HD2 LYS 73 0.645 -10.230 0.740 586 1HE LYS 73 HE2 LYS 73 2.713 -11.776 0.217 587 2HE LYS 73 HE1 LYS 73 1.741 -13.016 1.025 588 1HZ LYS 73 HZ1 LYS 73 -0.144 -12.327 -0.404 589 2HZ LYS 73 HZ2 LYS 73 1.152 -12.970 -1.294 590 3HZ LYS 73 HZ3 LYS 73 0.902 -11.291 -1.251 591 H THR 74 HN THR 74 4.730 -7.769 1.100 592 HA THR 74 HA THR 74 4.380 -4.920 0.798 593 HB THR 74 HB THR 74 6.766 -6.803 0.812 594 HG1 THR 74 HG1 THR 74 6.954 -6.013 2.924 595 1HG2 THR 74 HG21 THR 74 6.661 -4.026 0.066 596 2HG2 THR 74 HG22 THR 74 8.073 -5.075 0.187 597 3HG2 THR 74 HG23 THR 74 7.519 -4.175 1.599 598 H ARG 75 HN ARG 75 5.402 -7.549 -1.347 599 HA ARG 75 HA ARG 75 6.464 -6.092 -3.506 600 1HB ARG 75 HB2 ARG 75 6.286 -8.606 -3.174 601 2HB ARG 75 HB1 ARG 75 4.590 -8.485 -3.642 602 1HG ARG 75 HG1 ARG 75 5.242 -7.535 -5.815 603 2HG ARG 75 HG2 ARG 75 6.941 -7.610 -5.350 604 1HD ARG 75 HD2 ARG 75 6.759 -10.084 -5.136 605 2HD ARG 75 HD1 ARG 75 5.067 -9.987 -5.661 606 HE ARG 75 HE ARG 75 6.915 -8.604 -7.456 607 1HH1 ARG 75 HH11 ARG 75 5.432 -11.646 -6.642 608 2HH1 ARG 75 HH12 ARG 75 5.622 -12.290 -8.236 609 1HH2 ARG 75 HH21 ARG 75 7.149 -9.461 -9.516 610 2HH2 ARG 75 HH22 ARG 75 6.586 -11.064 -9.852 611 H LYS 76 HN LYS 76 3.103 -6.507 -2.491 612 HA LYS 76 HA LYS 76 1.996 -5.334 -4.916 613 1HB LYS 76 HB1 LYS 76 1.162 -6.593 -2.410 614 2HB LYS 76 HB2 LYS 76 0.079 -5.309 -2.934 615 1HG LYS 76 HG2 LYS 76 0.934 -6.931 -5.181 616 2HG LYS 76 HG1 LYS 76 0.203 -7.919 -3.940 617 1HD LYS 76 HD1 LYS 76 -1.820 -7.255 -4.690 618 2HD LYS 76 HD2 LYS 76 -1.429 -5.635 -4.114 619 1HE LYS 76 HE2 LYS 76 -0.165 -5.347 -6.360 620 2HE LYS 76 HE1 LYS 76 -1.075 -6.775 -6.892 621 1HZ LYS 76 HZ1 LYS 76 -3.101 -5.717 -6.514 622 2HZ LYS 76 HZ2 LYS 76 -2.157 -4.478 -7.193 623 3HZ LYS 76 HZ3 LYS 76 -2.417 -4.526 -5.515 624 H ILE 77 HN ILE 77 2.034 -4.314 -1.481 625 HA ILE 77 HA ILE 77 1.075 -1.675 -1.871 626 HB ILE 77 HB ILE 77 3.047 -2.778 0.167 627 1HG1 ILE 77 HG12 ILE 77 0.016 -2.682 0.108 628 2HG1 ILE 77 HG11 ILE 77 1.021 -4.125 0.117 629 1HG2 ILE 77 HG21 ILE 77 3.018 -0.726 1.095 630 2HG2 ILE 77 HG22 ILE 77 1.258 -0.785 1.195 631 3HG2 ILE 77 HG23 ILE 77 2.038 -0.141 -0.250 632 1HD1 ILE 77 HD11 ILE 77 1.838 -3.608 2.350 633 2HD1 ILE 77 HD12 ILE 77 0.075 -3.594 2.368 634 3HD1 ILE 77 HD13 ILE 77 0.969 -2.074 2.347 635 H TYR 78 HN TYR 78 4.455 -2.833 -1.684 636 HA TYR 78 HA TYR 78 5.624 -0.253 -2.131 637 1HB TYR 78 HB2 TYR 78 6.446 -2.826 -1.454 638 2HB TYR 78 HB1 TYR 78 7.181 -2.561 -3.033 639 HD1 TYR 78 HD1 TYR 78 6.561 -0.691 0.159 640 HD2 TYR 78 HD2 TYR 78 9.229 -1.438 -3.122 641 HE1 TYR 78 HE1 TYR 78 8.238 0.825 1.177 642 HE2 TYR 78 HE2 TYR 78 10.907 0.080 -2.104 643 HH TYR 78 HH TYR 78 10.256 2.288 0.142 644 H ASP 79 HN ASP 79 4.867 -2.950 -4.403 645 HA ASP 79 HA ASP 79 6.078 -1.918 -6.731 646 1HB ASP 79 HB2 ASP 79 3.693 -3.586 -6.068 647 2HB ASP 79 HB1 ASP 79 3.760 -2.941 -7.704 648 H PHE 80 HN PHE 80 3.075 -0.958 -5.130 649 HA PHE 80 HA PHE 80 2.180 0.873 -7.172 650 1HB PHE 80 HB1 PHE 80 0.944 -0.183 -5.160 651 2HB PHE 80 HB2 PHE 80 1.706 1.074 -4.186 652 HD1 PHE 80 HD1 PHE 80 -0.302 0.625 -7.320 653 HD2 PHE 80 HD2 PHE 80 0.681 3.173 -4.005 654 HE1 PHE 80 HE1 PHE 80 -2.041 2.237 -8.044 655 HE2 PHE 80 HE2 PHE 80 -1.059 4.786 -4.729 656 HZ PHE 80 HZ PHE 80 -2.420 4.318 -6.748 657 H LEU 81 HN LEU 81 3.607 1.625 -3.956 658 HA LEU 81 HA LEU 81 4.162 4.340 -4.392 659 1HB LEU 81 HB2 LEU 81 5.765 2.236 -2.888 660 2HB LEU 81 HB1 LEU 81 5.933 3.973 -2.657 661 HG LEU 81 HG LEU 81 3.248 2.625 -2.375 662 1HD1 LEU 81 HD21 LEU 81 4.328 1.431 -0.708 663 2HD1 LEU 81 HD22 LEU 81 3.943 2.904 0.181 664 3HD1 LEU 81 HD23 LEU 81 5.562 2.671 -0.478 665 1HD2 LEU 81 HD11 LEU 81 3.378 4.699 -0.617 666 2HD2 LEU 81 HD12 LEU 81 2.791 4.855 -2.274 667 3HD2 LEU 81 HD13 LEU 81 4.458 5.278 -1.884 668 H ILE 82 HN ILE 82 6.292 1.567 -5.109 669 HA ILE 82 HA ILE 82 8.575 2.925 -6.052 670 HB ILE 82 HB ILE 82 7.216 0.333 -6.883 671 1HG1 ILE 82 HG11 ILE 82 7.919 0.584 -4.488 672 2HG1 ILE 82 HG12 ILE 82 8.744 -0.723 -5.334 673 1HG2 ILE 82 HG21 ILE 82 9.559 1.656 -7.992 674 2HG2 ILE 82 HG22 ILE 82 8.727 0.206 -8.552 675 3HG2 ILE 82 HG23 ILE 82 9.973 0.083 -7.310 676 1HD1 ILE 82 HD11 ILE 82 10.130 1.852 -5.561 677 2HD1 ILE 82 HD12 ILE 82 10.763 0.268 -5.114 678 3HD1 ILE 82 HD13 ILE 82 9.988 1.282 -3.898 679 H ARG 83 HN ARG 83 6.283 1.334 -8.249 680 HA ARG 83 HA ARG 83 7.033 2.744 -10.579 681 1HB ARG 83 HB1 ARG 83 4.587 1.252 -9.645 682 2HB ARG 83 HB2 ARG 83 4.685 1.910 -11.280 683 1HG ARG 83 HG1 ARG 83 5.902 0.123 -11.886 684 2HG ARG 83 HG2 ARG 83 7.165 0.628 -10.776 685 1HD ARG 83 HD1 ARG 83 6.286 -1.742 -10.398 686 2HD ARG 83 HD2 ARG 83 6.216 -0.693 -8.968 687 HE ARG 83 HE ARG 83 3.851 -0.744 -9.144 688 1HH1 ARG 83 HH11 ARG 83 5.329 -1.719 -12.141 689 2HH1 ARG 83 HH12 ARG 83 3.821 -2.141 -12.875 690 1HH2 ARG 83 HH22 ARG 83 1.907 -1.299 -10.118 691 2HH2 ARG 83 HH21 ARG 83 1.897 -1.906 -11.740 692 H GLU 84 HN GLU 84 5.090 3.814 -7.913 693 HA GLU 84 HA GLU 84 3.713 5.907 -9.485 694 1HB GLU 84 HB2 GLU 84 3.758 4.985 -6.599 695 2HB GLU 84 HB1 GLU 84 2.882 6.430 -7.091 696 1HG GLU 84 HG1 GLU 84 2.439 3.908 -8.642 697 2HG GLU 84 HG2 GLU 84 1.677 4.065 -7.059 698 H GLY 85 HN GLY 85 3.782 8.153 -8.203 699 1HA GLY 85 HA1 GLY 85 6.630 8.945 -8.170 700 2HA GLY 85 HA2 GLY 85 5.253 10.047 -8.200 701 H TYR 86 HN TYR 86 6.284 7.407 -5.992 702 HA TYR 86 HA TYR 86 5.965 9.366 -3.738 703 1HB TYR 86 HB1 TYR 86 5.214 6.461 -4.098 704 2HB TYR 86 HB2 TYR 86 5.412 7.143 -2.484 705 HD1 TYR 86 HD1 TYR 86 2.950 6.290 -4.640 706 HD2 TYR 86 HD2 TYR 86 4.357 9.787 -2.579 707 HE1 TYR 86 HE1 TYR 86 0.684 7.286 -4.782 708 HE2 TYR 86 HE2 TYR 86 2.091 10.783 -2.722 709 HH TYR 86 HH TYR 86 -0.622 9.092 -3.346 710 H ILE 87 HN ILE 87 7.285 6.054 -3.935 711 HA ILE 87 HA ILE 87 9.752 7.048 -2.583 712 HB ILE 87 HB ILE 87 10.008 4.699 -1.933 713 1HG1 ILE 87 HG12 ILE 87 7.592 4.156 -3.687 714 2HG1 ILE 87 HG11 ILE 87 9.252 3.729 -4.102 715 1HG2 ILE 87 HG21 ILE 87 7.628 6.256 -1.402 716 2HG2 ILE 87 HG22 ILE 87 8.526 5.198 -0.313 717 3HG2 ILE 87 HG23 ILE 87 7.254 4.532 -1.340 718 1HD1 ILE 87 HD11 ILE 87 7.931 2.804 -1.543 719 2HD1 ILE 87 HD12 ILE 87 9.411 2.192 -2.279 720 3HD1 ILE 87 HD13 ILE 87 7.851 1.872 -3.037 721 H THR 88 HN THR 88 11.297 4.718 -3.410 722 HA THR 88 HA THR 88 11.426 4.552 -6.286 723 HB THR 88 HB THR 88 12.161 6.850 -6.076 724 HG1 THR 88 HG1 THR 88 13.526 6.253 -7.536 725 1HG2 THR 88 HG21 THR 88 13.950 7.517 -4.614 726 2HG2 THR 88 HG22 THR 88 14.317 5.839 -4.215 727 3HG2 THR 88 HG23 THR 88 12.817 6.570 -3.651 728 H LYS 89 HN LYS 89 12.928 2.977 -6.941 729 HA LYS 89 HA LYS 89 13.823 1.135 -4.892 730 1HB LYS 89 HB2 LYS 89 13.341 1.215 -7.683 731 2HB LYS 89 HB1 LYS 89 15.034 0.758 -7.498 732 1HG LYS 89 HG2 LYS 89 14.428 -1.075 -6.026 733 2HG LYS 89 HG1 LYS 89 12.741 -0.563 -6.018 734 1HD LYS 89 HD2 LYS 89 12.699 -2.246 -7.634 735 2HD LYS 89 HD1 LYS 89 12.961 -0.816 -8.633 736 1HE LYS 89 HE2 LYS 89 15.502 -1.829 -7.667 737 2HE LYS 89 HE1 LYS 89 14.607 -3.104 -8.516 738 1HZ LYS 89 HZ1 LYS 89 15.183 -0.353 -9.491 739 2HZ LYS 89 HZ2 LYS 89 14.117 -1.424 -10.267 740 3HZ LYS 89 HZ3 LYS 89 15.767 -1.809 -10.143 741 H ALA 90 HN ALA 90 15.630 3.119 -7.281 742 HA ALA 90 HA ALA 90 17.664 3.887 -5.382 743 1HB ALA 90 HB1 ALA 90 18.101 1.500 -7.199 744 2HB ALA 90 HB2 ALA 90 18.304 1.578 -5.449 745 3HB ALA 90 HB3 ALA 90 19.448 2.404 -6.507 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -18.552 18.313 4.979 2 2H GLY 1 HT2 GLY 1 -20.219 18.187 4.682 3 3H GLY 1 HT3 GLY 1 -19.360 19.547 4.138 4 1HA GLY 1 HA2 GLY 1 -19.959 17.645 2.491 5 2HA GLY 1 HA1 GLY 1 -18.391 18.447 2.401 6 H SER 2 HN SER 2 -19.292 16.266 5.014 7 HA SER 2 HA SER 2 -16.973 14.558 4.367 8 1HB SER 2 HB1 SER 2 -18.993 14.796 6.612 9 2HB SER 2 HB2 SER 2 -17.818 13.481 6.566 10 HG SER 2 HG SER 2 -16.669 14.948 7.577 11 H ASN 3 HN ASN 3 -20.482 14.448 4.187 12 HA ASN 3 HA ASN 3 -20.943 11.663 4.026 13 1HB ASN 3 HB1 ASN 3 -22.600 13.573 4.113 14 2HB ASN 3 HB2 ASN 3 -22.253 13.881 2.412 15 1HD2 ASN 3 HD21 ASN 3 -23.231 12.498 0.851 16 2HD2 ASN 3 HD22 ASN 3 -24.257 11.209 1.259 17 H SER 4 HN SER 4 -19.514 10.442 2.766 18 HA SER 4 HA SER 4 -19.776 10.667 -0.149 19 1HB SER 4 HB1 SER 4 -17.695 12.009 1.306 20 2HB SER 4 HB2 SER 4 -16.959 10.707 0.372 21 HG SER 4 HG SER 4 -18.118 13.034 -0.468 22 H GLY 5 HN GLY 5 -18.099 8.979 -1.147 23 1HA GLY 5 HA2 GLY 5 -16.802 6.918 -0.023 24 2HA GLY 5 HA1 GLY 5 -18.457 6.489 0.409 25 H ARG 6 HN ARG 6 -16.697 4.987 -1.362 26 HA ARG 6 HA ARG 6 -18.380 5.090 -3.837 27 1HB ARG 6 HB1 ARG 6 -15.471 5.449 -3.436 28 2HB ARG 6 HB2 ARG 6 -15.887 4.311 -4.717 29 1HG ARG 6 HG2 ARG 6 -17.590 6.182 -5.437 30 2HG ARG 6 HG1 ARG 6 -16.533 7.237 -4.500 31 1HD ARG 6 HD1 ARG 6 -14.776 7.015 -5.988 32 2HD ARG 6 HD2 ARG 6 -15.231 5.360 -6.434 33 HE ARG 6 HE ARG 6 -16.245 7.803 -7.669 34 1HH1 ARG 6 HH22 ARG 6 -16.962 4.496 -6.851 35 2HH1 ARG 6 HH21 ARG 6 -18.141 4.326 -8.105 36 1HH2 ARG 6 HH11 ARG 6 -17.779 7.557 -9.290 37 2HH2 ARG 6 HH12 ARG 6 -18.602 6.044 -9.477 38 H ARG 7 HN ARG 7 -18.881 3.041 -4.674 39 HA ARG 7 HA ARG 7 -17.470 0.636 -3.754 40 1HB ARG 7 HB2 ARG 7 -19.460 -0.259 -2.580 41 2HB ARG 7 HB1 ARG 7 -18.944 1.261 -1.850 42 1HG ARG 7 HG1 ARG 7 -21.056 1.997 -2.160 43 2HG ARG 7 HG2 ARG 7 -20.695 2.037 -3.885 44 1HD ARG 7 HD1 ARG 7 -22.339 0.482 -4.133 45 2HD ARG 7 HD2 ARG 7 -21.244 -0.666 -3.338 46 HE ARG 7 HE ARG 7 -22.495 -0.394 -1.343 47 1HH1 ARG 7 HH21 ARG 7 -23.208 2.143 -3.618 48 2HH1 ARG 7 HH22 ARG 7 -24.494 2.791 -2.660 49 1HH2 ARG 7 HH11 ARG 7 -24.167 0.466 -0.118 50 2HH2 ARG 7 HH12 ARG 7 -25.034 1.851 -0.694 51 H SER 8 HN SER 8 -18.473 -1.345 -4.753 52 HA SER 8 HA SER 8 -20.463 -0.949 -6.882 53 1HB SER 8 HB1 SER 8 -17.710 -0.497 -7.350 54 2HB SER 8 HB2 SER 8 -18.059 -2.070 -8.067 55 HG SER 8 HG SER 8 -18.870 -0.954 -9.635 56 H ALA 9 HN ALA 9 -17.732 -3.224 -6.466 57 HA ALA 9 HA ALA 9 -19.749 -5.429 -6.186 58 1HB ALA 9 HB1 ALA 9 -16.923 -5.426 -7.314 59 2HB ALA 9 HB2 ALA 9 -18.399 -5.393 -8.279 60 3HB ALA 9 HB3 ALA 9 -18.018 -6.808 -7.299 61 HA PRO 10 HA PRO 10 -17.998 -6.520 -2.300 62 1HB PRO 10 HB1 PRO 10 -17.932 -9.248 -2.418 63 2HB PRO 10 HB2 PRO 10 -19.452 -8.339 -2.384 64 1HG PRO 10 HG1 PRO 10 -18.023 -9.394 -4.764 65 2HG PRO 10 HG2 PRO 10 -19.710 -9.643 -4.270 66 1HD PRO 10 HD2 PRO 10 -19.101 -7.782 -6.015 67 2HD PRO 10 HD1 PRO 10 -20.305 -7.443 -4.778 68 HA PRO 11 HA PRO 11 -13.714 -6.890 -3.730 69 1HB PRO 11 HB1 PRO 11 -12.958 -5.603 -1.222 70 2HB PRO 11 HB2 PRO 11 -12.833 -4.963 -2.868 71 1HG PRO 11 HG1 PRO 11 -14.562 -4.016 -0.978 72 2HG PRO 11 HG2 PRO 11 -14.818 -3.874 -2.722 73 1HD PRO 11 HD1 PRO 11 -16.045 -5.769 -0.775 74 2HD PRO 11 HD2 PRO 11 -16.760 -4.990 -2.202 75 H LEU 12 HN LEU 12 -11.736 -7.125 -1.637 76 HA LEU 12 HA LEU 12 -12.284 -9.913 -0.779 77 1HB LEU 12 HB1 LEU 12 -9.915 -8.091 -1.126 78 2HB LEU 12 HB2 LEU 12 -9.749 -9.500 -0.082 79 HG LEU 12 HG LEU 12 -11.002 -10.594 -2.254 80 1HD1 LEU 12 HD21 LEU 12 -10.920 -8.949 -3.851 81 2HD1 LEU 12 HD22 LEU 12 -9.289 -9.581 -4.076 82 3HD1 LEU 12 HD23 LEU 12 -9.548 -8.139 -3.094 83 1HD2 LEU 12 HD11 LEU 12 -8.663 -11.344 -2.898 84 2HD2 LEU 12 HD12 LEU 12 -9.085 -11.599 -1.205 85 3HD2 LEU 12 HD13 LEU 12 -8.053 -10.244 -1.662 86 H ASN 13 HN ASN 13 -10.666 -10.012 1.517 87 HA ASN 13 HA ASN 13 -12.364 -9.304 3.619 88 1HB ASN 13 HB2 ASN 13 -10.141 -10.711 3.417 89 2HB ASN 13 HB1 ASN 13 -9.370 -9.205 3.911 90 1HD2 ASN 13 HD21 ASN 13 -8.918 -9.464 6.117 91 2HD2 ASN 13 HD22 ASN 13 -10.040 -9.995 7.274 92 H LEU 14 HN LEU 14 -10.192 -7.256 1.829 93 HA LEU 14 HA LEU 14 -9.649 -5.147 3.593 94 1HB LEU 14 HB1 LEU 14 -8.885 -5.442 1.225 95 2HB LEU 14 HB2 LEU 14 -10.504 -5.008 0.676 96 HG LEU 14 HG LEU 14 -10.144 -2.865 2.138 97 1HD1 LEU 14 HD11 LEU 14 -8.151 -3.181 3.277 98 2HD1 LEU 14 HD12 LEU 14 -7.553 -2.339 1.847 99 3HD1 LEU 14 HD13 LEU 14 -7.421 -4.094 1.957 100 1HD2 LEU 14 HD21 LEU 14 -8.964 -3.512 -0.551 101 2HD2 LEU 14 HD22 LEU 14 -8.726 -1.908 0.143 102 3HD2 LEU 14 HD23 LEU 14 -10.358 -2.503 -0.163 103 H THR 15 HN THR 15 -12.697 -6.023 2.070 104 HA THR 15 HA THR 15 -14.052 -3.506 2.608 105 HB THR 15 HB THR 15 -14.698 -5.108 0.835 106 HG1 THR 15 HG1 THR 15 -16.354 -3.853 1.639 107 1HG2 THR 15 HG21 THR 15 -14.873 -7.321 1.237 108 2HG2 THR 15 HG22 THR 15 -16.014 -7.046 2.554 109 3HG2 THR 15 HG23 THR 15 -14.279 -7.000 2.866 110 H GLY 16 HN GLY 16 -16.306 -3.944 3.931 111 1HA GLY 16 HA1 GLY 16 -17.201 -4.113 6.094 112 2HA GLY 16 HA2 GLY 16 -16.328 -5.642 6.187 113 H LEU 17 HN LEU 17 -14.487 -2.763 5.593 114 HA LEU 17 HA LEU 17 -13.658 -2.690 8.467 115 1HB LEU 17 HB2 LEU 17 -12.019 -2.847 5.926 116 2HB LEU 17 HB1 LEU 17 -11.317 -2.326 7.453 117 HG LEU 17 HG LEU 17 -12.900 -4.877 7.334 118 1HD1 LEU 17 HD21 LEU 17 -11.173 -4.884 5.482 119 2HD1 LEU 17 HD22 LEU 17 -10.932 -6.128 6.708 120 3HD1 LEU 17 HD23 LEU 17 -9.938 -4.671 6.723 121 1HD2 LEU 17 HD11 LEU 17 -12.315 -4.588 9.516 122 2HD2 LEU 17 HD12 LEU 17 -10.997 -3.488 9.115 123 3HD2 LEU 17 HD13 LEU 17 -10.761 -5.231 8.984 124 HA PRO 18 HA PRO 18 -14.016 1.651 8.130 125 1HB PRO 18 HB1 PRO 18 -11.901 2.547 9.659 126 2HB PRO 18 HB2 PRO 18 -13.376 1.840 10.343 127 1HG PRO 18 HG2 PRO 18 -10.703 0.602 9.900 128 2HG PRO 18 HG1 PRO 18 -11.839 0.386 11.239 129 1HD PRO 18 HD2 PRO 18 -11.525 -1.410 9.211 130 2HD PRO 18 HD1 PRO 18 -13.036 -1.213 10.122 131 H GLY 19 HN GLY 19 -10.489 0.971 8.015 132 1HA GLY 19 HA1 GLY 19 -9.792 3.242 6.495 133 2HA GLY 19 HA2 GLY 19 -8.839 1.763 6.553 134 H THR 20 HN THR 20 -11.419 0.374 5.460 135 HA THR 20 HA THR 20 -10.678 -0.019 2.815 136 HB THR 20 HB THR 20 -13.571 0.265 3.627 137 HG1 THR 20 HG1 THR 20 -13.118 -1.957 4.495 138 1HG2 THR 20 HG21 THR 20 -12.637 -0.609 1.339 139 2HG2 THR 20 HG22 THR 20 -13.930 -1.507 2.135 140 3HG2 THR 20 HG23 THR 20 -12.263 -2.071 2.253 141 H GLU 21 HN GLU 21 -12.760 2.603 4.048 142 HA GLU 21 HA GLU 21 -13.133 3.727 1.356 143 1HB GLU 21 HB1 GLU 21 -14.888 3.813 3.081 144 2HB GLU 21 HB2 GLU 21 -13.804 4.689 4.160 145 1HG GLU 21 HG2 GLU 21 -15.222 6.332 3.124 146 2HG GLU 21 HG1 GLU 21 -13.638 6.477 2.363 147 H LYS 22 HN LYS 22 -10.924 4.092 4.033 148 HA LYS 22 HA LYS 22 -9.965 6.754 3.426 149 1HB LYS 22 HB2 LYS 22 -9.032 4.324 4.946 150 2HB LYS 22 HB1 LYS 22 -7.913 5.663 4.697 151 1HG LYS 22 HG2 LYS 22 -10.683 6.235 5.705 152 2HG LYS 22 HG1 LYS 22 -9.466 5.627 6.828 153 1HD LYS 22 HD2 LYS 22 -8.360 7.719 5.150 154 2HD LYS 22 HD1 LYS 22 -9.802 8.290 5.990 155 1HE LYS 22 HE1 LYS 22 -8.362 8.642 7.739 156 2HE LYS 22 HE2 LYS 22 -8.493 6.890 7.981 157 1HZ LYS 22 HZ1 LYS 22 -6.718 6.745 6.173 158 2HZ LYS 22 HZ2 LYS 22 -6.211 7.267 7.707 159 3HZ LYS 22 HZ3 LYS 22 -6.444 8.397 6.461 160 H LEU 23 HN LEU 23 -9.416 3.570 2.109 161 HA LEU 23 HA LEU 23 -6.960 4.313 0.670 162 1HB LEU 23 HB1 LEU 23 -8.812 1.908 0.422 163 2HB LEU 23 HB2 LEU 23 -7.138 1.996 -0.122 164 HG LEU 23 HG LEU 23 -7.982 2.356 2.764 165 1HD1 LEU 23 HD21 LEU 23 -8.301 0.018 1.535 166 2HD1 LEU 23 HD22 LEU 23 -7.642 0.104 3.171 167 3HD1 LEU 23 HD23 LEU 23 -6.559 -0.085 1.790 168 1HD2 LEU 23 HD11 LEU 23 -5.308 1.939 1.409 169 2HD2 LEU 23 HD12 LEU 23 -5.553 1.928 3.156 170 3HD2 LEU 23 HD13 LEU 23 -5.857 3.399 2.232 171 H ASN 24 HN ASN 24 -7.267 5.755 -1.012 172 HA ASN 24 HA ASN 24 -9.578 6.422 -2.400 173 1HB ASN 24 HB2 ASN 24 -6.752 6.128 -3.485 174 2HB ASN 24 HB1 ASN 24 -8.005 7.165 -4.165 175 1HD2 ASN 24 HD22 ASN 24 -5.286 7.633 -2.601 176 2HD2 ASN 24 HD21 ASN 24 -5.714 8.834 -1.481 177 H GLU 25 HN GLU 25 -10.280 5.820 -4.634 178 HA GLU 25 HA GLU 25 -10.914 3.120 -4.996 179 1HB GLU 25 HB2 GLU 25 -11.293 3.828 -7.371 180 2HB GLU 25 HB1 GLU 25 -11.907 5.015 -6.220 181 1HG GLU 25 HG2 GLU 25 -9.601 6.151 -6.447 182 2HG GLU 25 HG1 GLU 25 -9.386 5.142 -7.877 183 H LYS 26 HN LYS 26 -8.021 4.868 -6.116 184 HA LYS 26 HA LYS 26 -6.887 2.733 -7.673 185 1HB LYS 26 HB2 LYS 26 -6.086 5.313 -6.434 186 2HB LYS 26 HB1 LYS 26 -4.763 4.189 -6.746 187 1HG LYS 26 HG1 LYS 26 -5.502 3.979 -9.097 188 2HG LYS 26 HG2 LYS 26 -6.815 5.114 -8.783 189 1HD LYS 26 HD1 LYS 26 -5.302 6.914 -8.400 190 2HD LYS 26 HD2 LYS 26 -3.922 5.824 -8.264 191 1HE LYS 26 HE1 LYS 26 -3.708 5.604 -10.552 192 2HE LYS 26 HE2 LYS 26 -5.455 5.744 -10.829 193 1HZ LYS 26 HZ1 LYS 26 -3.613 7.936 -10.011 194 2HZ LYS 26 HZ2 LYS 26 -5.298 8.090 -10.162 195 3HZ LYS 26 HZ3 LYS 26 -4.348 7.766 -11.532 196 H GLU 27 HN GLU 27 -6.216 3.815 -4.318 197 HA GLU 27 HA GLU 27 -4.504 1.606 -3.637 198 1HB GLU 27 HB2 GLU 27 -6.302 3.402 -1.959 199 2HB GLU 27 HB1 GLU 27 -4.982 2.418 -1.325 200 1HG GLU 27 HG2 GLU 27 -3.583 3.709 -3.178 201 2HG GLU 27 HG1 GLU 27 -4.868 4.903 -2.995 202 H LYS 28 HN LYS 28 -7.987 2.086 -3.641 203 HA LYS 28 HA LYS 28 -8.870 -0.056 -2.018 204 1HB LYS 28 HB2 LYS 28 -9.835 1.711 -4.137 205 2HB LYS 28 HB1 LYS 28 -10.582 0.118 -4.240 206 1HG LYS 28 HG1 LYS 28 -10.782 0.486 -1.591 207 2HG LYS 28 HG2 LYS 28 -10.788 2.178 -2.093 208 1HD LYS 28 HD1 LYS 28 -12.793 1.978 -3.217 209 2HD LYS 28 HD2 LYS 28 -12.521 0.279 -3.614 210 1HE LYS 28 HE1 LYS 28 -12.654 0.563 -0.754 211 2HE LYS 28 HE2 LYS 28 -14.088 1.308 -1.485 212 1HZ LYS 28 HZ1 LYS 28 -14.481 -0.655 -2.762 213 2HZ LYS 28 HZ2 LYS 28 -14.274 -1.147 -1.150 214 3HZ LYS 28 HZ3 LYS 28 -13.013 -1.352 -2.269 215 H GLU 29 HN GLU 29 -8.468 -0.076 -5.584 216 HA GLU 29 HA GLU 29 -8.765 -2.898 -5.913 217 1HB GLU 29 HB1 GLU 29 -8.962 -1.253 -7.723 218 2HB GLU 29 HB2 GLU 29 -7.280 -0.772 -7.504 219 1HG GLU 29 HG2 GLU 29 -7.205 -3.561 -7.829 220 2HG GLU 29 HG1 GLU 29 -8.364 -2.991 -9.029 221 H LEU 30 HN LEU 30 -5.904 -0.857 -5.355 222 HA LEU 30 HA LEU 30 -3.844 -2.742 -5.747 223 1HB LEU 30 HB2 LEU 30 -3.458 -0.378 -5.324 224 2HB LEU 30 HB1 LEU 30 -4.225 -0.489 -3.741 225 HG LEU 30 HG LEU 30 -2.421 -2.136 -3.083 226 1HD1 LEU 30 HD11 LEU 30 -0.320 -1.599 -4.702 227 2HD1 LEU 30 HD12 LEU 30 -1.629 -1.527 -5.882 228 3HD1 LEU 30 HD13 LEU 30 -1.376 -2.993 -4.935 229 1HD2 LEU 30 HD21 LEU 30 -1.240 0.497 -3.969 230 2HD2 LEU 30 HD22 LEU 30 -0.881 -0.428 -2.511 231 3HD2 LEU 30 HD23 LEU 30 -2.424 0.412 -2.666 232 H CYS 31 HN CYS 31 -5.770 -2.111 -2.795 233 HA CYS 31 HA CYS 31 -4.489 -4.199 -1.240 234 1HB CYS 31 HB1 CYS 31 -7.132 -2.711 -0.982 235 2HB CYS 31 HB2 CYS 31 -6.411 -3.695 0.292 236 HG CYS 31 HG CYS 31 -4.533 -1.983 0.575 237 H GLN 32 HN GLN 32 -7.532 -3.982 -3.102 238 HA GLN 32 HA GLN 32 -8.653 -6.492 -2.435 239 1HB GLN 32 HB2 GLN 32 -8.632 -4.779 -4.935 240 2HB GLN 32 HB1 GLN 32 -9.625 -6.230 -4.809 241 1HG GLN 32 HG2 GLN 32 -10.921 -5.332 -3.050 242 2HG GLN 32 HG1 GLN 32 -9.722 -4.094 -2.680 243 1HE2 GLN 32 HE21 GLN 32 -10.760 -4.883 -5.993 244 2HE2 GLN 32 HE22 GLN 32 -11.537 -3.402 -6.285 245 H VAL 33 HN VAL 33 -6.087 -5.658 -4.729 246 HA VAL 33 HA VAL 33 -5.860 -8.326 -5.886 247 HB VAL 33 HB VAL 33 -4.017 -5.908 -5.728 248 1HG1 VAL 33 HG11 VAL 33 -3.533 -7.601 -7.995 249 2HG1 VAL 33 HG12 VAL 33 -3.446 -8.579 -6.530 250 3HG1 VAL 33 HG13 VAL 33 -2.419 -7.156 -6.702 251 1HG2 VAL 33 HG21 VAL 33 -5.000 -6.422 -8.346 252 2HG2 VAL 33 HG22 VAL 33 -5.376 -5.050 -7.304 253 3HG2 VAL 33 HG23 VAL 33 -6.381 -6.498 -7.251 254 H VAL 34 HN VAL 34 -3.722 -6.436 -3.729 255 HA VAL 34 HA VAL 34 -2.538 -8.934 -2.661 256 HB VAL 34 HB VAL 34 -1.104 -7.004 -3.205 257 1HG1 VAL 34 HG11 VAL 34 -1.879 -4.920 -2.879 258 2HG1 VAL 34 HG12 VAL 34 -1.795 -5.176 -1.138 259 3HG1 VAL 34 HG13 VAL 34 -3.277 -5.558 -2.013 260 1HG2 VAL 34 HG21 VAL 34 0.122 -6.892 -1.156 261 2HG2 VAL 34 HG22 VAL 34 -0.655 -8.475 -1.163 262 3HG2 VAL 34 HG23 VAL 34 -1.329 -7.166 -0.193 263 H ARG 35 HN ARG 35 -4.710 -9.541 -1.780 264 HA ARG 35 HA ARG 35 -6.459 -8.392 -0.089 265 1HB ARG 35 HB2 ARG 35 -6.181 -10.829 -0.752 266 2HB ARG 35 HB1 ARG 35 -5.051 -10.992 0.593 267 1HG ARG 35 HG1 ARG 35 -6.882 -10.095 2.102 268 2HG ARG 35 HG2 ARG 35 -7.984 -10.244 0.733 269 1HD ARG 35 HD2 ARG 35 -7.939 -12.570 0.783 270 2HD ARG 35 HD1 ARG 35 -6.311 -12.623 1.485 271 HE ARG 35 HE ARG 35 -8.784 -12.450 2.983 272 1HH1 ARG 35 HH11 ARG 35 -5.479 -11.360 2.890 273 2HH1 ARG 35 HH12 ARG 35 -5.391 -11.131 4.602 274 1HH2 ARG 35 HH21 ARG 35 -8.645 -12.144 5.203 275 2HH2 ARG 35 HH22 ARG 35 -7.169 -11.571 5.903 276 H LEU 36 HN LEU 36 -5.660 -6.659 1.177 277 HA LEU 36 HA LEU 36 -4.029 -7.470 3.568 278 1HB LEU 36 HB2 LEU 36 -3.977 -5.075 1.729 279 2HB LEU 36 HB1 LEU 36 -3.438 -4.897 3.395 280 HG LEU 36 HG LEU 36 -2.345 -6.939 1.441 281 1HD1 LEU 36 HD21 LEU 36 -1.073 -5.249 0.656 282 2HD1 LEU 36 HD22 LEU 36 -0.384 -5.072 2.269 283 3HD1 LEU 36 HD23 LEU 36 -1.799 -4.125 1.807 284 1HD2 LEU 36 HD11 LEU 36 -0.502 -6.849 3.326 285 2HD2 LEU 36 HD12 LEU 36 -1.936 -7.853 3.545 286 3HD2 LEU 36 HD13 LEU 36 -1.840 -6.273 4.323 287 H VAL 37 HN VAL 37 -4.361 -5.596 5.289 288 HA VAL 37 HA VAL 37 -7.299 -5.042 5.485 289 HB VAL 37 HB VAL 37 -6.706 -4.769 7.949 290 1HG1 VAL 37 HG21 VAL 37 -7.178 -7.053 6.445 291 2HG1 VAL 37 HG22 VAL 37 -7.236 -6.954 8.205 292 3HG1 VAL 37 HG23 VAL 37 -5.759 -7.484 7.400 293 1HG2 VAL 37 HG11 VAL 37 -4.568 -5.457 8.739 294 2HG2 VAL 37 HG12 VAL 37 -4.252 -4.348 7.404 295 3HG2 VAL 37 HG13 VAL 37 -4.107 -6.088 7.159 296 HA PRO 38 HA PRO 38 -6.392 -0.862 4.622 297 1HB PRO 38 HB2 PRO 38 -8.401 -0.116 6.681 298 2HB PRO 38 HB1 PRO 38 -8.364 0.282 4.959 299 1HG PRO 38 HG2 PRO 38 -10.065 -1.525 5.978 300 2HG PRO 38 HG1 PRO 38 -9.380 -1.680 4.353 301 1HD PRO 38 HD1 PRO 38 -8.705 -3.157 6.844 302 2HD PRO 38 HD2 PRO 38 -8.678 -3.710 5.154 303 H GLY 39 HN GLY 39 -7.237 -1.003 8.109 304 1HA GLY 39 HA1 GLY 39 -5.606 1.024 9.037 305 2HA GLY 39 HA2 GLY 39 -5.955 -0.401 9.989 306 H ALA 40 HN ALA 40 -4.541 -2.413 9.042 307 HA ALA 40 HA ALA 40 -1.846 -1.860 9.749 308 1HB ALA 40 HB1 ALA 40 -2.392 -4.117 7.900 309 2HB ALA 40 HB2 ALA 40 -3.407 -4.051 9.342 310 3HB ALA 40 HB3 ALA 40 -1.653 -4.132 9.501 311 H TYR 41 HN TYR 41 -3.268 -2.329 6.475 312 HA TYR 41 HA TYR 41 -0.938 -2.008 4.937 313 1HB TYR 41 HB1 TYR 41 -3.078 -2.629 3.986 314 2HB TYR 41 HB2 TYR 41 -3.802 -1.111 4.501 315 HD1 TYR 41 HD1 TYR 41 -3.919 0.660 2.981 316 HD2 TYR 41 HD2 TYR 41 -0.938 -2.386 2.441 317 HE1 TYR 41 HE1 TYR 41 -3.222 1.720 0.850 318 HE2 TYR 41 HE2 TYR 41 -0.243 -1.324 0.310 319 HH TYR 41 HH TYR 41 -1.354 1.807 -0.633 320 H LEU 42 HN LEU 42 -2.965 0.494 6.467 321 HA LEU 42 HA LEU 42 -1.719 2.788 5.287 322 1HB LEU 42 HB2 LEU 42 -2.934 2.340 8.038 323 2HB LEU 42 HB1 LEU 42 -2.645 3.917 7.311 324 HG LEU 42 HG LEU 42 -4.236 1.921 5.751 325 1HD1 LEU 42 HD21 LEU 42 -6.014 3.565 7.277 326 2HD1 LEU 42 HD22 LEU 42 -4.936 2.737 8.401 327 3HD1 LEU 42 HD23 LEU 42 -5.905 1.808 7.261 328 1HD2 LEU 42 HD11 LEU 42 -5.458 4.328 5.563 329 2HD2 LEU 42 HD12 LEU 42 -4.136 3.826 4.508 330 3HD2 LEU 42 HD13 LEU 42 -3.808 4.840 5.913 331 H GLU 43 HN GLU 43 -1.042 1.073 8.361 332 HA GLU 43 HA GLU 43 1.180 2.639 9.192 333 1HB GLU 43 HB2 GLU 43 -0.063 0.029 9.731 334 2HB GLU 43 HB1 GLU 43 1.677 0.028 10.020 335 1HG GLU 43 HG2 GLU 43 1.535 1.616 11.706 336 2HG GLU 43 HG1 GLU 43 0.062 2.331 11.051 337 H TYR 44 HN TYR 44 1.229 -0.517 7.478 338 HA TYR 44 HA TYR 44 3.960 -0.739 6.943 339 1HB TYR 44 HB1 TYR 44 1.471 -1.420 5.351 340 2HB TYR 44 HB2 TYR 44 3.075 -1.938 4.831 341 HD1 TYR 44 HD1 TYR 44 0.294 -3.142 6.382 342 HD2 TYR 44 HD2 TYR 44 4.506 -2.748 7.127 343 HE1 TYR 44 HE1 TYR 44 0.190 -5.043 7.971 344 HE2 TYR 44 HE2 TYR 44 4.403 -4.649 8.716 345 HH TYR 44 HH TYR 44 2.846 -5.849 10.047 346 H LYS 45 HN LYS 45 1.577 0.681 4.665 347 HA LYS 45 HA LYS 45 3.387 1.770 2.801 348 1HB LYS 45 HB2 LYS 45 0.681 1.682 3.201 349 2HB LYS 45 HB1 LYS 45 1.001 3.388 3.517 350 1HG LYS 45 HG2 LYS 45 2.523 2.777 1.241 351 2HG LYS 45 HG1 LYS 45 0.979 1.965 0.983 352 1HD LYS 45 HD2 LYS 45 -0.046 4.237 1.802 353 2HD LYS 45 HD1 LYS 45 1.534 4.896 1.378 354 1HE LYS 45 HE2 LYS 45 1.110 4.732 -0.857 355 2HE LYS 45 HE1 LYS 45 0.400 3.114 -0.685 356 1HZ LYS 45 HZ1 LYS 45 -1.271 4.802 -1.282 357 2HZ LYS 45 HZ2 LYS 45 -0.909 5.659 0.139 358 3HZ LYS 45 HZ3 LYS 45 -1.590 4.106 0.234 359 H SER 46 HN SER 46 2.224 3.135 5.888 360 HA SER 46 HA SER 46 3.374 5.735 5.638 361 1HB SER 46 HB2 SER 46 2.087 4.078 7.582 362 2HB SER 46 HB1 SER 46 3.520 4.771 8.334 363 HG SER 46 HG SER 46 1.504 6.051 8.376 364 H ALA 47 HN ALA 47 4.716 2.661 6.816 365 HA ALA 47 HA ALA 47 7.245 3.690 7.701 366 1HB ALA 47 HB1 ALA 47 7.246 0.972 6.604 367 2HB ALA 47 HB2 ALA 47 5.839 1.274 7.623 368 3HB ALA 47 HB3 ALA 47 7.463 1.496 8.274 369 H LEU 48 HN LEU 48 6.002 2.762 4.536 370 HA LEU 48 HA LEU 48 8.582 2.602 3.215 371 1HB LEU 48 HB1 LEU 48 5.942 3.333 1.919 372 2HB LEU 48 HB2 LEU 48 7.267 2.407 1.229 373 HG LEU 48 HG LEU 48 5.243 1.519 3.285 374 1HD1 LEU 48 HD21 LEU 48 5.906 0.945 0.467 375 2HD1 LEU 48 HD22 LEU 48 4.361 0.827 1.309 376 3HD1 LEU 48 HD23 LEU 48 5.545 -0.472 1.453 377 1HD2 LEU 48 HD11 LEU 48 6.740 0.164 4.267 378 2HD2 LEU 48 HD12 LEU 48 8.019 0.774 3.225 379 3HD2 LEU 48 HD13 LEU 48 7.049 -0.600 2.710 380 H LEU 49 HN LEU 49 6.038 5.128 3.248 381 HA LEU 49 HA LEU 49 7.566 7.099 1.832 382 1HB LEU 49 HB2 LEU 49 5.030 6.781 3.131 383 2HB LEU 49 HB1 LEU 49 5.755 8.274 3.727 384 HG LEU 49 HG LEU 49 6.308 8.610 1.140 385 1HD1 LEU 49 HD11 LEU 49 5.030 7.428 -0.340 386 2HD1 LEU 49 HD12 LEU 49 3.640 7.382 0.744 387 3HD1 LEU 49 HD13 LEU 49 4.969 6.245 0.967 388 1HD2 LEU 49 HD21 LEU 49 4.730 9.873 2.838 389 2HD2 LEU 49 HD22 LEU 49 3.449 9.072 1.927 390 3HD2 LEU 49 HD23 LEU 49 4.568 10.159 1.105 391 H ASN 50 HN ASN 50 7.672 5.975 5.125 392 HA ASN 50 HA ASN 50 8.918 8.358 6.252 393 1HB ASN 50 HB2 ASN 50 7.582 6.765 7.567 394 2HB ASN 50 HB1 ASN 50 8.697 5.462 7.156 395 1HD2 ASN 50 HD22 ASN 50 10.709 5.350 8.310 396 2HD2 ASN 50 HD21 ASN 50 11.088 6.390 9.597 397 H GLU 51 HN GLU 51 10.231 5.030 5.892 398 HA GLU 51 HA GLU 51 12.949 5.669 6.239 399 1HB GLU 51 HB2 GLU 51 11.319 3.484 5.382 400 2HB GLU 51 HB1 GLU 51 12.654 3.634 4.239 401 1HG GLU 51 HG1 GLU 51 13.082 3.698 7.230 402 2HG GLU 51 HG2 GLU 51 13.087 2.195 6.314 403 H CYS 52 HN CYS 52 11.025 5.677 3.231 404 HA CYS 52 HA CYS 52 13.116 6.289 1.404 405 1HB CYS 52 HB1 CYS 52 10.858 5.580 0.767 406 2HB CYS 52 HB2 CYS 52 10.168 7.033 1.484 407 HG CYS 52 HG CYS 52 11.174 6.883 -1.304 408 H HIS 53 HN HIS 53 10.838 8.533 3.043 409 HA HIS 53 HA HIS 53 12.114 10.939 2.129 410 1HB HIS 53 HB2 HIS 53 10.161 10.087 4.238 411 2HB HIS 53 HB1 HIS 53 10.840 11.710 4.358 412 HD1 HIS 53 HD1 HIS 53 8.211 12.335 3.798 413 HD2 HIS 53 HD2 HIS 53 10.476 10.739 0.684 414 HE1 HIS 53 HE1 HIS 53 6.980 12.895 1.656 415 H LYS 54 HN LYS 54 12.943 8.665 4.617 416 HA LYS 54 HA LYS 54 14.531 10.531 6.223 417 1HB LYS 54 HB2 LYS 54 14.075 7.545 6.083 418 2HB LYS 54 HB1 LYS 54 15.256 8.238 7.193 419 1HG LYS 54 HG1 LYS 54 12.357 9.116 7.073 420 2HG LYS 54 HG2 LYS 54 12.951 7.887 8.189 421 1HD LYS 54 HD2 LYS 54 13.912 10.763 8.031 422 2HD LYS 54 HD1 LYS 54 12.894 10.079 9.296 423 1HE LYS 54 HE2 LYS 54 15.140 8.367 9.104 424 2HE LYS 54 HE1 LYS 54 15.773 10.023 9.092 425 1HZ LYS 54 HZ1 LYS 54 15.357 9.166 11.362 426 2HZ LYS 54 HZ2 LYS 54 13.710 9.009 10.981 427 3HZ LYS 54 HZ3 LYS 54 14.434 10.546 11.004 428 H GLN 55 HN GLN 55 15.261 7.821 4.000 429 HA GLN 55 HA GLN 55 18.121 8.567 3.964 430 1HB GLN 55 HB2 GLN 55 16.350 6.323 3.092 431 2HB GLN 55 HB1 GLN 55 17.861 6.533 2.209 432 1HG GLN 55 HG1 GLN 55 18.918 6.715 4.606 433 2HG GLN 55 HG2 GLN 55 17.440 5.898 5.116 434 1HE2 GLN 55 HE21 GLN 55 20.529 5.440 3.583 435 2HE2 GLN 55 HE22 GLN 55 20.331 3.797 3.206 436 H GLY 56 HN GLY 56 15.363 9.582 2.297 437 1HA GLY 56 HA2 GLY 56 15.289 11.084 0.459 438 2HA GLY 56 HA1 GLY 56 17.008 10.793 0.189 439 H GLY 57 HN GLY 57 14.803 8.117 0.559 440 1HA GLY 57 HA2 GLY 57 13.650 7.349 -1.659 441 2HA GLY 57 HA1 GLY 57 15.295 7.408 -2.294 442 H LEU 58 HN LEU 58 13.844 4.990 -2.259 443 HA LEU 58 HA LEU 58 15.617 3.372 -0.520 444 1HB LEU 58 HB1 LEU 58 13.050 4.204 0.285 445 2HB LEU 58 HB2 LEU 58 12.867 2.517 -0.193 446 HG LEU 58 HG LEU 58 15.233 2.455 1.203 447 1HD1 LEU 58 HD21 LEU 58 13.444 4.606 2.320 448 2HD1 LEU 58 HD22 LEU 58 15.194 4.631 2.100 449 3HD1 LEU 58 HD23 LEU 58 14.481 3.658 3.386 450 1HD2 LEU 58 HD11 LEU 58 12.383 2.033 2.120 451 2HD2 LEU 58 HD12 LEU 58 13.784 1.548 3.076 452 3HD2 LEU 58 HD13 LEU 58 13.501 0.822 1.492 453 H ARG 59 HN ARG 59 16.265 1.680 -1.770 454 HA ARG 59 HA ARG 59 15.253 1.098 -4.354 455 1HB ARG 59 HB1 ARG 59 17.157 0.041 -2.386 456 2HB ARG 59 HB2 ARG 59 16.470 -1.223 -3.407 457 1HG ARG 59 HG2 ARG 59 17.407 -0.365 -5.334 458 2HG ARG 59 HG1 ARG 59 17.359 1.296 -4.743 459 1HD ARG 59 HD2 ARG 59 19.147 0.448 -3.008 460 2HD ARG 59 HD1 ARG 59 19.401 -0.847 -4.193 461 HE ARG 59 HE ARG 59 19.274 1.737 -5.489 462 1HH1 ARG 59 HH12 ARG 59 21.334 -0.351 -3.614 463 2HH1 ARG 59 HH11 ARG 59 22.790 0.325 -4.257 464 1HH2 ARG 59 HH21 ARG 59 21.178 2.598 -6.309 465 2HH2 ARG 59 HH22 ARG 59 22.705 1.982 -5.771 466 H LEU 60 HN LEU 60 14.349 -1.126 -4.968 467 HA LEU 60 HA LEU 60 11.860 -1.579 -3.532 468 1HB LEU 60 HB2 LEU 60 12.157 -1.705 -5.997 469 2HB LEU 60 HB1 LEU 60 13.244 -3.075 -5.790 470 HG LEU 60 HG LEU 60 11.483 -4.463 -4.957 471 1HD1 LEU 60 HD11 LEU 60 10.023 -3.367 -3.568 472 2HD1 LEU 60 HD12 LEU 60 9.085 -3.162 -5.048 473 3HD1 LEU 60 HD13 LEU 60 10.137 -1.863 -4.487 474 1HD2 LEU 60 HD21 LEU 60 9.954 -3.003 -7.067 475 2HD2 LEU 60 HD22 LEU 60 10.300 -4.727 -6.921 476 3HD2 LEU 60 HD23 LEU 60 11.550 -3.623 -7.493 477 H ALA 61 HN ALA 61 14.786 -3.613 -4.103 478 HA ALA 61 HA ALA 61 14.047 -5.851 -2.542 479 1HB ALA 61 HB1 ALA 61 16.550 -6.077 -2.269 480 2HB ALA 61 HB2 ALA 61 16.720 -4.451 -2.931 481 3HB ALA 61 HB3 ALA 61 16.061 -5.745 -3.931 482 H GLN 62 HN GLN 62 15.615 -2.816 -1.483 483 HA GLN 62 HA GLN 62 15.886 -3.394 1.278 484 1HB GLN 62 HB1 GLN 62 15.161 -0.864 -0.246 485 2HB GLN 62 HB2 GLN 62 15.617 -0.873 1.457 486 1HG GLN 62 HG1 GLN 62 17.398 -2.198 -0.570 487 2HG GLN 62 HG2 GLN 62 17.463 -0.448 -0.360 488 1HE2 GLN 62 HE22 GLN 62 17.797 0.292 2.002 489 2HE2 GLN 62 HE21 GLN 62 18.778 -0.674 2.994 490 H ALA 63 HN ALA 63 13.065 -2.725 -0.679 491 HA ALA 63 HA ALA 63 11.249 -2.079 1.435 492 1HB ALA 63 HB1 ALA 63 10.521 -3.421 -1.149 493 2HB ALA 63 HB2 ALA 63 11.089 -1.751 -1.121 494 3HB ALA 63 HB3 ALA 63 9.617 -2.200 -0.259 495 H ARG 64 HN ARG 64 11.585 -5.102 -0.422 496 HA ARG 64 HA ARG 64 9.797 -6.677 1.095 497 1HB ARG 64 HB1 ARG 64 12.438 -7.501 -0.163 498 2HB ARG 64 HB2 ARG 64 11.075 -8.547 0.133 499 1HG ARG 64 HG2 ARG 64 10.231 -7.971 -1.884 500 2HG ARG 64 HG1 ARG 64 10.072 -6.320 -1.292 501 1HD ARG 64 HD2 ARG 64 11.928 -5.598 -2.329 502 2HD ARG 64 HD1 ARG 64 12.795 -7.125 -2.039 503 HE ARG 64 HE ARG 64 11.979 -7.936 -4.098 504 1HH1 ARG 64 HH21 ARG 64 10.071 -5.246 -3.006 505 2HH1 ARG 64 HH22 ARG 64 9.129 -5.193 -4.452 506 1HH2 ARG 64 HH11 ARG 64 10.734 -7.851 -5.961 507 2HH2 ARG 64 HH12 ARG 64 9.490 -6.655 -6.109 508 H ALA 65 HN ALA 65 13.032 -5.599 1.876 509 HA ALA 65 HA ALA 65 13.252 -7.431 4.189 510 1HB ALA 65 HB1 ALA 65 14.957 -5.949 2.445 511 2HB ALA 65 HB2 ALA 65 15.438 -7.059 3.729 512 3HB ALA 65 HB3 ALA 65 15.230 -5.343 4.079 513 H LEU 66 HN LEU 66 11.888 -4.350 3.558 514 HA LEU 66 HA LEU 66 12.451 -3.273 6.246 515 1HB LEU 66 HB2 LEU 66 11.970 -2.250 3.693 516 2HB LEU 66 HB1 LEU 66 10.494 -1.870 4.573 517 HG LEU 66 HG LEU 66 12.129 -0.056 4.818 518 1HD1 LEU 66 HD21 LEU 66 11.040 0.122 6.789 519 2HD1 LEU 66 HD22 LEU 66 12.429 -0.690 7.511 520 3HD1 LEU 66 HD23 LEU 66 11.019 -1.627 7.017 521 1HD2 LEU 66 HD11 LEU 66 14.316 -0.389 5.338 522 2HD2 LEU 66 HD12 LEU 66 14.012 -2.043 4.804 523 3HD2 LEU 66 HD13 LEU 66 13.943 -1.643 6.521 524 H ILE 67 HN ILE 67 9.299 -3.281 4.546 525 HA ILE 67 HA ILE 67 7.993 -3.830 7.150 526 HB ILE 67 HB ILE 67 5.979 -3.100 5.876 527 1HG1 ILE 67 HG12 ILE 67 7.793 -2.545 3.537 528 2HG1 ILE 67 HG11 ILE 67 6.996 -4.110 3.692 529 1HG2 ILE 67 HG21 ILE 67 8.019 -1.565 6.769 530 2HG2 ILE 67 HG22 ILE 67 6.563 -0.893 6.035 531 3HG2 ILE 67 HG23 ILE 67 8.022 -1.103 5.067 532 1HD1 ILE 67 HD11 ILE 67 5.773 -2.240 2.357 533 2HD1 ILE 67 HD12 ILE 67 5.423 -1.549 3.942 534 3HD1 ILE 67 HD13 ILE 67 4.841 -3.164 3.537 535 H LYS 68 HN LYS 68 5.629 -4.965 6.237 536 HA LYS 68 HA LYS 68 4.659 -7.064 5.828 537 1HB LYS 68 HB2 LYS 68 6.914 -6.975 3.798 538 2HB LYS 68 HB1 LYS 68 5.585 -8.133 3.748 539 1HG LYS 68 HG2 LYS 68 5.233 -5.120 3.734 540 2HG LYS 68 HG1 LYS 68 5.187 -6.135 2.293 541 1HD LYS 68 HD2 LYS 68 2.994 -6.475 2.688 542 2HD LYS 68 HD1 LYS 68 3.450 -7.366 4.141 543 1HE LYS 68 HE2 LYS 68 3.289 -5.388 5.506 544 2HE LYS 68 HE1 LYS 68 3.144 -4.344 4.079 545 1HZ LYS 68 HZ1 LYS 68 1.223 -6.375 5.073 546 2HZ LYS 68 HZ2 LYS 68 1.160 -5.782 3.484 547 3HZ LYS 68 HZ3 LYS 68 0.946 -4.723 4.794 548 H ILE 69 HN ILE 69 5.744 -9.505 5.121 549 HA ILE 69 HA ILE 69 7.736 -10.048 7.292 550 HB ILE 69 HB ILE 69 6.288 -12.262 7.446 551 1HG1 ILE 69 HG11 ILE 69 3.894 -11.862 7.013 552 2HG1 ILE 69 HG12 ILE 69 4.276 -10.284 6.327 553 1HG2 ILE 69 HG21 ILE 69 4.922 -9.822 8.504 554 2HG2 ILE 69 HG22 ILE 69 6.558 -10.197 9.044 555 3HG2 ILE 69 HG23 ILE 69 5.253 -11.353 9.311 556 1HD1 ILE 69 HD11 ILE 69 5.088 -11.175 4.386 557 2HD1 ILE 69 HD12 ILE 69 4.024 -12.510 4.828 558 3HD1 ILE 69 HD13 ILE 69 5.745 -12.598 5.197 559 H ASP 70 HN ASP 70 7.046 -10.388 3.987 560 HA ASP 70 HA ASP 70 9.066 -12.589 3.806 561 1HB ASP 70 HB1 ASP 70 6.270 -12.409 2.869 562 2HB ASP 70 HB2 ASP 70 7.407 -13.015 1.665 563 H VAL 71 HN VAL 71 7.385 -11.170 1.050 564 HA VAL 71 HA VAL 71 9.313 -9.140 0.426 565 HB VAL 71 HB VAL 71 10.843 -11.037 0.284 566 1HG1 VAL 71 HG21 VAL 71 9.242 -12.344 -1.868 567 2HG1 VAL 71 HG22 VAL 71 8.741 -12.599 -0.198 568 3HG1 VAL 71 HG23 VAL 71 10.364 -13.059 -0.713 569 1HG2 VAL 71 HG11 VAL 71 9.952 -9.843 -2.324 570 2HG2 VAL 71 HG12 VAL 71 11.192 -11.093 -2.319 571 3HG2 VAL 71 HG13 VAL 71 11.454 -9.591 -1.439 572 H ASN 72 HN ASN 72 7.260 -11.680 -1.052 573 HA ASN 72 HA ASN 72 6.555 -10.136 -3.395 574 1HB ASN 72 HB2 ASN 72 5.938 -12.662 -2.098 575 2HB ASN 72 HB1 ASN 72 4.458 -11.905 -2.686 576 1HD2 ASN 72 HD22 ASN 72 6.789 -14.036 -3.664 577 2HD2 ASN 72 HD21 ASN 72 6.767 -13.746 -5.336 578 H LYS 73 HN LYS 73 5.500 -10.218 -0.080 579 HA LYS 73 HA LYS 73 2.958 -8.885 -0.373 580 1HB LYS 73 HB2 LYS 73 4.972 -9.536 1.761 581 2HB LYS 73 HB1 LYS 73 3.717 -8.364 2.150 582 1HG LYS 73 HG2 LYS 73 3.088 -10.714 2.746 583 2HG LYS 73 HG1 LYS 73 1.974 -9.969 1.604 584 1HD LYS 73 HD2 LYS 73 2.453 -12.219 0.835 585 2HD LYS 73 HD1 LYS 73 3.237 -11.091 -0.262 586 1HE LYS 73 HE1 LYS 73 5.008 -12.551 0.131 587 2HE LYS 73 HE2 LYS 73 5.265 -11.441 1.490 588 1HZ LYS 73 HZ1 LYS 73 3.469 -13.806 1.620 589 2HZ LYS 73 HZ2 LYS 73 4.000 -12.840 2.912 590 3HZ LYS 73 HZ3 LYS 73 5.094 -13.859 2.107 591 H THR 74 HN THR 74 6.212 -7.747 0.601 592 HA THR 74 HA THR 74 5.601 -4.944 0.615 593 HB THR 74 HB THR 74 8.174 -6.458 0.013 594 HG1 THR 74 HG1 THR 74 7.785 -7.014 2.014 595 1HG2 THR 74 HG21 THR 74 7.550 -3.652 0.001 596 2HG2 THR 74 HG22 THR 74 9.106 -4.433 -0.284 597 3HG2 THR 74 HG23 THR 74 8.627 -3.994 1.355 598 H ARG 75 HN ARG 75 6.765 -7.165 -1.908 599 HA ARG 75 HA ARG 75 7.335 -5.458 -4.008 600 1HB ARG 75 HB2 ARG 75 7.440 -7.969 -3.949 601 2HB ARG 75 HB1 ARG 75 5.686 -8.005 -4.139 602 1HG ARG 75 HG2 ARG 75 5.804 -7.014 -6.308 603 2HG ARG 75 HG1 ARG 75 7.493 -6.559 -6.087 604 1HD ARG 75 HD2 ARG 75 8.263 -8.714 -6.492 605 2HD ARG 75 HD1 ARG 75 6.775 -9.467 -5.890 606 HE ARG 75 HE ARG 75 6.041 -7.926 -8.138 607 1HH1 ARG 75 HH21 ARG 75 8.089 -10.647 -7.417 608 2HH1 ARG 75 HH22 ARG 75 7.903 -11.344 -8.989 609 1HH2 ARG 75 HH12 ARG 75 5.816 -8.851 -10.172 610 2HH2 ARG 75 HH11 ARG 75 6.628 -10.337 -10.537 611 H LYS 76 HN LYS 76 4.058 -6.645 -3.141 612 HA LYS 76 HA LYS 76 2.729 -5.137 -5.191 613 1HB LYS 76 HB2 LYS 76 1.781 -6.182 -2.502 614 2HB LYS 76 HB1 LYS 76 0.724 -5.665 -3.813 615 1HG LYS 76 HG1 LYS 76 1.145 -7.531 -5.073 616 2HG LYS 76 HG2 LYS 76 2.820 -7.639 -4.538 617 1HD LYS 76 HD2 LYS 76 2.221 -9.261 -3.100 618 2HD LYS 76 HD1 LYS 76 1.210 -8.094 -2.249 619 1HE LYS 76 HE1 LYS 76 -0.627 -9.225 -2.953 620 2HE LYS 76 HE2 LYS 76 -0.179 -8.874 -4.632 621 1HZ LYS 76 HZ1 LYS 76 1.140 -10.786 -4.751 622 2HZ LYS 76 HZ2 LYS 76 -0.250 -11.314 -3.930 623 3HZ LYS 76 HZ3 LYS 76 1.175 -10.991 -3.065 624 H ILE 77 HN ILE 77 2.802 -4.473 -1.639 625 HA ILE 77 HA ILE 77 1.643 -1.906 -1.734 626 HB ILE 77 HB ILE 77 3.853 -3.038 0.024 627 1HG1 ILE 77 HG11 ILE 77 0.836 -2.932 0.335 628 2HG1 ILE 77 HG12 ILE 77 1.798 -4.376 0.026 629 1HG2 ILE 77 HG21 ILE 77 3.301 -1.330 1.634 630 2HG2 ILE 77 HG22 ILE 77 1.949 -0.765 0.651 631 3HG2 ILE 77 HG23 ILE 77 3.606 -0.518 0.098 632 1HD1 ILE 77 HD11 ILE 77 1.183 -3.166 2.546 633 2HD1 ILE 77 HD12 ILE 77 2.926 -3.062 2.292 634 3HD1 ILE 77 HD13 ILE 77 2.118 -4.629 2.236 635 H TYR 78 HN TYR 78 5.158 -2.589 -1.657 636 HA TYR 78 HA TYR 78 6.019 0.079 -2.092 637 1HB TYR 78 HB2 TYR 78 7.102 -2.476 -1.684 638 2HB TYR 78 HB1 TYR 78 7.767 -1.955 -3.232 639 HD1 TYR 78 HD1 TYR 78 7.167 -0.747 0.259 640 HD2 TYR 78 HD2 TYR 78 9.581 -0.459 -3.281 641 HE1 TYR 78 HE1 TYR 78 8.735 0.762 1.446 642 HE2 TYR 78 HE2 TYR 78 11.149 1.050 -2.090 643 HH TYR 78 HH TYR 78 10.421 2.628 0.680 644 H ASP 79 HN ASP 79 5.417 -2.541 -4.492 645 HA ASP 79 HA ASP 79 6.428 -1.262 -6.793 646 1HB ASP 79 HB2 ASP 79 5.568 -3.542 -6.812 647 2HB ASP 79 HB1 ASP 79 3.958 -2.989 -6.357 648 H PHE 80 HN PHE 80 3.314 -0.782 -5.142 649 HA PHE 80 HA PHE 80 2.196 1.032 -7.072 650 1HB PHE 80 HB2 PHE 80 1.059 -0.233 -5.168 651 2HB PHE 80 HB1 PHE 80 1.752 0.961 -4.069 652 HD1 PHE 80 HD1 PHE 80 0.849 3.170 -3.899 653 HD2 PHE 80 HD2 PHE 80 -0.501 0.512 -6.991 654 HE1 PHE 80 HE1 PHE 80 -0.987 4.743 -4.450 655 HE2 PHE 80 HE2 PHE 80 -2.337 2.085 -7.542 656 HZ PHE 80 HZ PHE 80 -2.579 4.201 -6.272 657 H LEU 81 HN LEU 81 3.546 1.804 -3.823 658 HA LEU 81 HA LEU 81 3.735 4.587 -4.133 659 1HB LEU 81 HB2 LEU 81 5.649 2.667 -2.752 660 2HB LEU 81 HB1 LEU 81 5.501 4.387 -2.395 661 HG LEU 81 HG LEU 81 2.932 2.961 -2.351 662 1HD1 LEU 81 HD21 LEU 81 4.250 2.383 0.151 663 2HD1 LEU 81 HD22 LEU 81 5.142 1.639 -1.176 664 3HD1 LEU 81 HD23 LEU 81 3.432 1.271 -0.947 665 1HD2 LEU 81 HD11 LEU 81 2.993 4.161 -0.037 666 2HD2 LEU 81 HD12 LEU 81 2.932 5.150 -1.494 667 3HD2 LEU 81 HD13 LEU 81 4.463 4.919 -0.648 668 H ILE 82 HN ILE 82 6.141 2.132 -5.076 669 HA ILE 82 HA ILE 82 8.209 3.852 -5.974 670 HB ILE 82 HB ILE 82 7.240 1.093 -6.805 671 1HG1 ILE 82 HG11 ILE 82 8.000 1.480 -4.433 672 2HG1 ILE 82 HG12 ILE 82 8.943 0.277 -5.309 673 1HG2 ILE 82 HG21 ILE 82 9.318 2.764 -7.984 674 2HG2 ILE 82 HG22 ILE 82 8.675 1.220 -8.544 675 3HG2 ILE 82 HG23 ILE 82 9.975 1.254 -7.353 676 1HD1 ILE 82 HD11 ILE 82 10.000 2.423 -3.943 677 2HD1 ILE 82 HD12 ILE 82 9.963 3.019 -5.603 678 3HD1 ILE 82 HD13 ILE 82 10.828 1.532 -5.219 679 H ARG 83 HN ARG 83 6.344 1.931 -8.295 680 HA ARG 83 HA ARG 83 6.793 3.503 -10.548 681 1HB ARG 83 HB1 ARG 83 4.528 1.718 -9.641 682 2HB ARG 83 HB2 ARG 83 4.569 2.386 -11.273 683 1HG ARG 83 HG2 ARG 83 5.930 0.670 -11.832 684 2HG ARG 83 HG1 ARG 83 7.152 1.382 -10.793 685 1HD ARG 83 HD2 ARG 83 6.669 -0.055 -9.038 686 2HD ARG 83 HD1 ARG 83 4.997 -0.309 -9.561 687 HE ARG 83 HE ARG 83 7.293 -1.829 -10.458 688 1HH1 ARG 83 HH12 ARG 83 4.286 -0.426 -11.509 689 2HH1 ARG 83 HH11 ARG 83 4.076 -1.565 -12.792 690 1HH2 ARG 83 HH22 ARG 83 6.999 -3.296 -12.130 691 2HH2 ARG 83 HH21 ARG 83 5.600 -3.180 -13.144 692 H GLU 84 HN GLU 84 4.498 4.099 -7.942 693 HA GLU 84 HA GLU 84 3.104 6.209 -9.485 694 1HB GLU 84 HB2 GLU 84 2.873 5.236 -6.612 695 2HB GLU 84 HB1 GLU 84 1.753 6.341 -7.403 696 1HG GLU 84 HG1 GLU 84 2.289 3.791 -8.829 697 2HG GLU 84 HG2 GLU 84 1.368 3.663 -7.331 698 H GLY 85 HN GLY 85 2.721 8.241 -7.804 699 1HA GLY 85 HA1 GLY 85 5.432 9.368 -7.453 700 2HA GLY 85 HA2 GLY 85 3.921 10.275 -7.388 701 H TYR 86 HN TYR 86 5.914 7.954 -5.570 702 HA TYR 86 HA TYR 86 4.932 9.210 -3.054 703 1HB TYR 86 HB1 TYR 86 4.596 6.377 -4.003 704 2HB TYR 86 HB2 TYR 86 4.800 6.672 -2.277 705 HD1 TYR 86 HD1 TYR 86 2.460 6.539 -4.942 706 HD2 TYR 86 HD2 TYR 86 3.306 8.593 -1.265 707 HE1 TYR 86 HE1 TYR 86 0.082 7.224 -4.777 708 HE2 TYR 86 HE2 TYR 86 0.928 9.278 -1.101 709 HH TYR 86 HH TYR 86 -1.001 9.555 -2.448 710 H ILE 87 HN ILE 87 6.858 6.318 -3.926 711 HA ILE 87 HA ILE 87 9.136 7.508 -2.376 712 HB ILE 87 HB ILE 87 9.617 5.185 -1.694 713 1HG1 ILE 87 HG11 ILE 87 7.185 4.496 -3.371 714 2HG1 ILE 87 HG12 ILE 87 8.851 4.067 -3.755 715 1HG2 ILE 87 HG21 ILE 87 7.258 6.668 -1.034 716 2HG2 ILE 87 HG22 ILE 87 8.170 5.558 -0.011 717 3HG2 ILE 87 HG23 ILE 87 6.853 4.950 -1.017 718 1HD1 ILE 87 HD11 ILE 87 7.602 2.197 -2.666 719 2HD1 ILE 87 HD12 ILE 87 7.385 3.212 -1.240 720 3HD1 ILE 87 HD13 ILE 87 9.003 2.713 -1.729 721 H THR 88 HN THR 88 11.223 6.039 -3.051 722 HA THR 88 HA THR 88 11.256 5.948 -6.046 723 HB THR 88 HB THR 88 13.565 6.854 -5.836 724 HG1 THR 88 HG1 THR 88 14.478 6.829 -3.967 725 1HG2 THR 88 HG21 THR 88 11.300 8.352 -4.508 726 2HG2 THR 88 HG22 THR 88 11.895 8.519 -6.160 727 3HG2 THR 88 HG23 THR 88 12.866 9.104 -4.809 728 H LYS 89 HN LYS 89 13.768 4.918 -6.424 729 HA LYS 89 HA LYS 89 13.863 2.397 -4.840 730 1HB LYS 89 HB1 LYS 89 14.197 1.206 -7.048 731 2HB LYS 89 HB2 LYS 89 12.589 1.887 -6.814 732 1HG LYS 89 HG2 LYS 89 13.369 3.930 -8.045 733 2HG LYS 89 HG1 LYS 89 14.853 3.066 -8.438 734 1HD LYS 89 HD1 LYS 89 13.729 2.305 -10.257 735 2HD LYS 89 HD2 LYS 89 12.882 1.248 -9.127 736 1HE LYS 89 HE1 LYS 89 10.940 2.420 -9.346 737 2HE LYS 89 HE2 LYS 89 11.778 3.978 -9.215 738 1HZ LYS 89 HZ1 LYS 89 10.798 3.415 -11.473 739 2HZ LYS 89 HZ2 LYS 89 12.016 2.238 -11.606 740 3HZ LYS 89 HZ3 LYS 89 12.431 3.878 -11.459 741 H ALA 90 HN ALA 90 15.628 4.316 -4.250 742 HA ALA 90 HA ALA 90 18.162 3.357 -5.518 743 1HB ALA 90 HB1 ALA 90 18.889 5.701 -5.685 744 2HB ALA 90 HB2 ALA 90 17.391 6.240 -4.926 745 3HB ALA 90 HB3 ALA 90 17.352 5.504 -6.528 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -20.136 -14.428 7.653 2 2H GLY 1 HT2 GLY 1 -20.612 -13.945 6.095 3 3H GLY 1 HT3 GLY 1 -20.232 -12.776 7.267 4 1HA GLY 1 HA2 GLY 1 -17.988 -13.096 7.100 5 2HA GLY 1 HA1 GLY 1 -18.191 -14.750 6.520 6 H SER 2 HN SER 2 -17.936 -15.037 4.355 7 HA SER 2 HA SER 2 -17.628 -14.495 2.076 8 1HB SER 2 HB1 SER 2 -19.889 -12.666 2.958 9 2HB SER 2 HB2 SER 2 -19.452 -12.926 1.270 10 HG SER 2 HG SER 2 -21.124 -14.335 2.499 11 H ASN 3 HN ASN 3 -15.512 -13.542 2.234 12 HA ASN 3 HA ASN 3 -14.981 -10.857 3.074 13 1HB ASN 3 HB1 ASN 3 -13.660 -13.110 1.721 14 2HB ASN 3 HB2 ASN 3 -13.055 -11.543 1.185 15 1HD2 ASN 3 HD21 ASN 3 -13.205 -10.014 3.523 16 2HD2 ASN 3 HD22 ASN 3 -12.209 -10.689 4.720 17 H SER 4 HN SER 4 -16.129 -9.193 2.090 18 HA SER 4 HA SER 4 -16.200 -9.157 -0.909 19 1HB SER 4 HB2 SER 4 -18.272 -7.948 -0.662 20 2HB SER 4 HB1 SER 4 -18.346 -9.290 0.481 21 HG SER 4 HG SER 4 -18.507 -7.882 2.003 22 H GLY 5 HN GLY 5 -16.959 -6.390 -1.045 23 1HA GLY 5 HA1 GLY 5 -15.121 -4.699 0.383 24 2HA GLY 5 HA2 GLY 5 -14.468 -5.097 -1.206 25 H ARG 6 HN ARG 6 -17.672 -4.171 0.123 26 HA ARG 6 HA ARG 6 -17.865 -2.176 -2.111 27 1HB ARG 6 HB1 ARG 6 -19.282 -4.226 -2.367 28 2HB ARG 6 HB2 ARG 6 -20.054 -3.852 -0.826 29 1HG ARG 6 HG2 ARG 6 -21.206 -2.041 -1.686 30 2HG ARG 6 HG1 ARG 6 -19.976 -1.705 -2.904 31 1HD ARG 6 HD1 ARG 6 -21.012 -4.293 -3.484 32 2HD ARG 6 HD2 ARG 6 -22.401 -3.225 -3.203 33 HE ARG 6 HE ARG 6 -20.559 -1.752 -4.753 34 1HH1 ARG 6 HH21 ARG 6 -22.447 -4.663 -5.038 35 2HH1 ARG 6 HH22 ARG 6 -22.592 -4.531 -6.756 36 1HH2 ARG 6 HH11 ARG 6 -20.761 -1.604 -6.985 37 2HH2 ARG 6 HH12 ARG 6 -21.646 -2.814 -7.852 38 H ARG 7 HN ARG 7 -18.814 -2.992 1.226 39 HA ARG 7 HA ARG 7 -19.479 -1.595 3.013 40 1HB ARG 7 HB2 ARG 7 -17.146 -0.761 2.127 41 2HB ARG 7 HB1 ARG 7 -18.068 0.611 1.512 42 1HG ARG 7 HG2 ARG 7 -18.252 1.507 3.575 43 2HG ARG 7 HG1 ARG 7 -18.815 -0.021 4.252 44 1HD ARG 7 HD1 ARG 7 -16.273 -0.718 4.025 45 2HD ARG 7 HD2 ARG 7 -16.010 1.037 4.042 46 HE ARG 7 HE ARG 7 -16.950 -0.570 6.288 47 1HH1 ARG 7 HH12 ARG 7 -17.068 2.554 4.756 48 2HH1 ARG 7 HH11 ARG 7 -17.450 3.382 6.226 49 1HH2 ARG 7 HH22 ARG 7 -17.446 0.527 8.183 50 2HH2 ARG 7 HH21 ARG 7 -17.662 2.245 8.152 51 H SER 8 HN SER 8 -20.424 0.856 3.314 52 HA SER 8 HA SER 8 -22.440 1.247 1.126 53 1HB SER 8 HB2 SER 8 -23.295 0.194 3.227 54 2HB SER 8 HB1 SER 8 -22.737 1.602 4.132 55 HG SER 8 HG SER 8 -24.469 2.595 3.542 56 H ALA 9 HN ALA 9 -20.623 2.837 3.764 57 HA ALA 9 HA ALA 9 -21.304 5.509 2.693 58 1HB ALA 9 HB1 ALA 9 -19.379 5.635 4.769 59 2HB ALA 9 HB2 ALA 9 -20.445 4.290 5.176 60 3HB ALA 9 HB3 ALA 9 -21.116 5.901 4.915 61 HA PRO 10 HA PRO 10 -17.569 5.816 0.386 62 1HB PRO 10 HB1 PRO 10 -17.371 8.530 0.168 63 2HB PRO 10 HB2 PRO 10 -18.613 7.595 -0.683 64 1HG PRO 10 HG1 PRO 10 -18.833 9.199 1.814 65 2HG PRO 10 HG2 PRO 10 -19.971 9.046 0.468 66 1HD PRO 10 HD1 PRO 10 -20.214 7.716 2.849 67 2HD PRO 10 HD2 PRO 10 -20.907 7.145 1.320 68 HA PRO 11 HA PRO 11 -14.787 6.536 3.871 69 1HB PRO 11 HB1 PRO 11 -12.769 5.018 2.491 70 2HB PRO 11 HB2 PRO 11 -13.719 4.531 3.900 71 1HG PRO 11 HG1 PRO 11 -13.929 3.455 1.356 72 2HG PRO 11 HG2 PRO 11 -15.119 3.293 2.651 73 1HD PRO 11 HD1 PRO 11 -15.161 5.030 0.254 74 2HD PRO 11 HD2 PRO 11 -16.509 4.331 1.174 75 H LEU 12 HN LEU 12 -12.921 6.123 0.938 76 HA LEU 12 HA LEU 12 -12.302 9.027 0.828 77 1HB LEU 12 HB2 LEU 12 -10.343 6.759 1.288 78 2HB LEU 12 HB1 LEU 12 -9.838 8.364 0.762 79 HG LEU 12 HG LEU 12 -11.400 9.065 2.843 80 1HD1 LEU 12 HD21 LEU 12 -10.072 6.702 4.055 81 2HD1 LEU 12 HD22 LEU 12 -11.516 6.378 3.100 82 3HD1 LEU 12 HD23 LEU 12 -11.600 7.474 4.479 83 1HD2 LEU 12 HD11 LEU 12 -9.153 9.843 2.670 84 2HD2 LEU 12 HD12 LEU 12 -8.500 8.212 2.813 85 3HD2 LEU 12 HD13 LEU 12 -9.235 8.993 4.213 86 H ASN 13 HN ASN 13 -13.807 8.020 -1.105 87 HA ASN 13 HA ASN 13 -13.939 7.584 -3.420 88 1HB ASN 13 HB2 ASN 13 -12.042 9.447 -3.022 89 2HB ASN 13 HB1 ASN 13 -11.023 8.178 -3.697 90 1HD2 ASN 13 HD21 ASN 13 -14.002 10.067 -4.379 91 2HD2 ASN 13 HD22 ASN 13 -13.892 9.923 -6.067 92 H LEU 14 HN LEU 14 -12.709 5.559 -1.371 93 HA LEU 14 HA LEU 14 -11.303 3.797 -3.338 94 1HB LEU 14 HB1 LEU 14 -10.433 4.560 -0.954 95 2HB LEU 14 HB2 LEU 14 -11.538 3.315 -0.372 96 HG LEU 14 HG LEU 14 -10.172 2.100 -2.496 97 1HD1 LEU 14 HD11 LEU 14 -8.485 3.821 -2.559 98 2HD1 LEU 14 HD12 LEU 14 -7.775 2.431 -1.737 99 3HD1 LEU 14 HD13 LEU 14 -8.338 3.816 -0.801 100 1HD2 LEU 14 HD21 LEU 14 -9.105 0.793 -0.656 101 2HD2 LEU 14 HD22 LEU 14 -10.842 0.997 -0.427 102 3HD2 LEU 14 HD23 LEU 14 -9.708 1.982 0.500 103 H THR 15 HN THR 15 -14.345 4.389 -2.706 104 HA THR 15 HA THR 15 -15.155 1.548 -2.201 105 HB THR 15 HB THR 15 -15.969 3.145 -0.549 106 HG1 THR 15 HG1 THR 15 -17.897 2.341 -0.646 107 1HG2 THR 15 HG21 THR 15 -16.814 4.723 -2.987 108 2HG2 THR 15 HG22 THR 15 -15.759 5.237 -1.671 109 3HG2 THR 15 HG23 THR 15 -17.487 5.032 -1.389 110 H GLY 16 HN GLY 16 -16.340 0.510 -3.789 111 1HA GLY 16 HA2 GLY 16 -17.801 0.395 -5.699 112 2HA GLY 16 HA1 GLY 16 -17.495 2.106 -6.002 113 H LEU 17 HN LEU 17 -14.539 1.676 -5.642 114 HA LEU 17 HA LEU 17 -13.854 1.211 -8.385 115 1HB LEU 17 HB2 LEU 17 -12.536 1.704 -5.768 116 2HB LEU 17 HB1 LEU 17 -11.524 0.934 -6.990 117 HG LEU 17 HG LEU 17 -13.099 3.112 -8.115 118 1HD1 LEU 17 HD21 LEU 17 -12.578 3.737 -5.583 119 2HD1 LEU 17 HD22 LEU 17 -12.380 4.930 -6.867 120 3HD1 LEU 17 HD23 LEU 17 -10.974 4.072 -6.236 121 1HD2 LEU 17 HD11 LEU 17 -10.613 3.831 -8.590 122 2HD2 LEU 17 HD12 LEU 17 -11.275 2.405 -9.388 123 3HD2 LEU 17 HD13 LEU 17 -10.234 2.222 -7.976 124 HA PRO 18 HA PRO 18 -13.317 -3.128 -8.563 125 1HB PRO 18 HB2 PRO 18 -10.982 -3.404 -10.001 126 2HB PRO 18 HB1 PRO 18 -12.514 -2.886 -10.727 127 1HG PRO 18 HG2 PRO 18 -10.164 -1.257 -9.884 128 2HG PRO 18 HG1 PRO 18 -11.212 -1.077 -11.298 129 1HD PRO 18 HD2 PRO 18 -11.414 0.466 -9.062 130 2HD PRO 18 HD1 PRO 18 -12.785 0.109 -10.133 131 H GLY 19 HN GLY 19 -10.035 -1.760 -8.033 132 1HA GLY 19 HA1 GLY 19 -9.066 -4.072 -6.668 133 2HA GLY 19 HA2 GLY 19 -8.318 -2.481 -6.612 134 H THR 20 HN THR 20 -11.147 -1.543 -5.594 135 HA THR 20 HA THR 20 -10.609 -1.139 -2.907 136 HB THR 20 HB THR 20 -13.259 -1.811 -4.228 137 HG1 THR 20 HG1 THR 20 -13.316 0.556 -4.268 138 1HG2 THR 20 HG21 THR 20 -12.594 -0.363 -1.649 139 2HG2 THR 20 HG22 THR 20 -13.513 -1.859 -1.818 140 3HG2 THR 20 HG23 THR 20 -14.186 -0.339 -2.406 141 H GLU 21 HN GLU 21 -12.295 -3.982 -4.273 142 HA GLU 21 HA GLU 21 -12.451 -5.288 -1.650 143 1HB GLU 21 HB1 GLU 21 -14.206 -5.563 -3.330 144 2HB GLU 21 HB2 GLU 21 -13.032 -6.142 -4.512 145 1HG GLU 21 HG1 GLU 21 -12.510 -8.026 -2.865 146 2HG GLU 21 HG2 GLU 21 -13.935 -7.511 -1.964 147 H LYS 22 HN LYS 22 -10.179 -5.133 -4.280 148 HA LYS 22 HA LYS 22 -8.873 -7.687 -3.829 149 1HB LYS 22 HB2 LYS 22 -8.114 -5.045 -5.116 150 2HB LYS 22 HB1 LYS 22 -7.020 -6.427 -5.095 151 1HG LYS 22 HG2 LYS 22 -9.847 -6.542 -6.179 152 2HG LYS 22 HG1 LYS 22 -8.426 -6.258 -7.184 153 1HD LYS 22 HD1 LYS 22 -7.702 -8.475 -5.682 154 2HD LYS 22 HD2 LYS 22 -9.411 -8.758 -6.014 155 1HE LYS 22 HE2 LYS 22 -8.649 -7.959 -8.472 156 2HE LYS 22 HE1 LYS 22 -7.111 -8.640 -7.909 157 1HZ LYS 22 HZ1 LYS 22 -8.414 -10.600 -7.129 158 2HZ LYS 22 HZ2 LYS 22 -8.403 -10.417 -8.817 159 3HZ LYS 22 HZ3 LYS 22 -9.774 -9.965 -7.923 160 H LEU 23 HN LEU 23 -8.766 -4.513 -2.361 161 HA LEU 23 HA LEU 23 -6.256 -4.976 -0.910 162 1HB LEU 23 HB2 LEU 23 -8.486 -2.948 -0.480 163 2HB LEU 23 HB1 LEU 23 -6.821 -2.808 0.083 164 HG LEU 23 HG LEU 23 -7.557 -3.047 -2.842 165 1HD1 LEU 23 HD21 LEU 23 -7.566 -0.713 -3.053 166 2HD1 LEU 23 HD22 LEU 23 -6.721 -0.479 -1.522 167 3HD1 LEU 23 HD23 LEU 23 -8.420 -0.951 -1.528 168 1HD2 LEU 23 HD11 LEU 23 -5.318 -3.597 -2.695 169 2HD2 LEU 23 HD12 LEU 23 -5.059 -2.597 -1.264 170 3HD2 LEU 23 HD13 LEU 23 -5.203 -1.844 -2.853 171 H ASN 24 HN ASN 24 -6.407 -6.698 0.551 172 HA ASN 24 HA ASN 24 -8.648 -7.719 1.859 173 1HB ASN 24 HB2 ASN 24 -6.437 -8.744 1.902 174 2HB ASN 24 HB1 ASN 24 -5.781 -7.386 2.814 175 1HD2 ASN 24 HD22 ASN 24 -5.214 -8.728 4.666 176 2HD2 ASN 24 HD21 ASN 24 -6.402 -9.395 5.680 177 H GLU 25 HN GLU 25 -9.237 -7.480 4.221 178 HA GLU 25 HA GLU 25 -10.138 -4.905 4.883 179 1HB GLU 25 HB2 GLU 25 -10.385 -7.414 5.881 180 2HB GLU 25 HB1 GLU 25 -9.303 -6.732 7.095 181 1HG GLU 25 HG1 GLU 25 -10.903 -5.321 7.911 182 2HG GLU 25 HG2 GLU 25 -11.576 -5.002 6.313 183 H LYS 26 HN LYS 26 -7.031 -6.446 5.687 184 HA LYS 26 HA LYS 26 -6.077 -4.406 7.477 185 1HB LYS 26 HB2 LYS 26 -4.899 -6.584 5.754 186 2HB LYS 26 HB1 LYS 26 -3.827 -5.470 6.603 187 1HG LYS 26 HG1 LYS 26 -5.110 -6.022 8.723 188 2HG LYS 26 HG2 LYS 26 -5.911 -7.304 7.815 189 1HD LYS 26 HD2 LYS 26 -3.509 -8.069 7.193 190 2HD LYS 26 HD1 LYS 26 -2.994 -7.050 8.537 191 1HE LYS 26 HE1 LYS 26 -5.222 -9.037 8.953 192 2HE LYS 26 HE2 LYS 26 -3.533 -9.574 9.014 193 1HZ LYS 26 HZ1 LYS 26 -4.732 -7.332 10.563 194 2HZ LYS 26 HZ2 LYS 26 -3.084 -7.743 10.570 195 3HZ LYS 26 HZ3 LYS 26 -4.233 -8.827 11.195 196 H GLU 27 HN GLU 27 -5.475 -4.959 3.982 197 HA GLU 27 HA GLU 27 -4.007 -2.486 3.609 198 1HB GLU 27 HB2 GLU 27 -5.512 -4.350 1.731 199 2HB GLU 27 HB1 GLU 27 -4.421 -3.073 1.195 200 1HG GLU 27 HG1 GLU 27 -2.526 -4.149 2.089 201 2HG GLU 27 HG2 GLU 27 -3.494 -5.159 3.163 202 H LYS 28 HN LYS 28 -7.379 -3.452 3.486 203 HA LYS 28 HA LYS 28 -8.589 -1.296 2.125 204 1HB LYS 28 HB1 LYS 28 -9.252 -3.444 3.933 205 2HB LYS 28 HB2 LYS 28 -10.137 -2.000 4.414 206 1HG LYS 28 HG1 LYS 28 -10.695 -1.767 1.889 207 2HG LYS 28 HG2 LYS 28 -10.218 -3.458 1.773 208 1HD LYS 28 HD2 LYS 28 -12.157 -4.140 2.692 209 2HD LYS 28 HD1 LYS 28 -11.953 -3.043 4.059 210 1HE LYS 28 HE1 LYS 28 -12.598 -1.548 1.668 211 2HE LYS 28 HE2 LYS 28 -13.831 -2.785 1.975 212 1HZ LYS 28 HZ1 LYS 28 -14.224 -0.718 3.247 213 2HZ LYS 28 HZ2 LYS 28 -12.730 -0.929 4.026 214 3HZ LYS 28 HZ3 LYS 28 -13.975 -2.061 4.258 215 H GLU 29 HN GLU 29 -8.082 -1.585 5.669 216 HA GLU 29 HA GLU 29 -8.797 1.111 6.300 217 1HB GLU 29 HB1 GLU 29 -8.675 -0.726 7.927 218 2HB GLU 29 HB2 GLU 29 -6.944 -0.898 7.639 219 1HG GLU 29 HG2 GLU 29 -7.941 1.803 8.427 220 2HG GLU 29 HG1 GLU 29 -7.901 0.560 9.677 221 H LEU 30 HN LEU 30 -5.629 -0.408 5.648 222 HA LEU 30 HA LEU 30 -3.937 1.807 6.098 223 1HB LEU 30 HB2 LEU 30 -3.180 -0.480 5.629 224 2HB LEU 30 HB1 LEU 30 -3.866 -0.401 4.006 225 HG LEU 30 HG LEU 30 -2.231 1.859 4.169 226 1HD1 LEU 30 HD11 LEU 30 -0.348 1.390 5.358 227 2HD1 LEU 30 HD12 LEU 30 -0.376 -0.316 4.910 228 3HD1 LEU 30 HD13 LEU 30 -1.391 0.267 6.231 229 1HD2 LEU 30 HD21 LEU 30 -2.628 0.186 2.285 230 2HD2 LEU 30 HD22 LEU 30 -1.414 -0.835 3.057 231 3HD2 LEU 30 HD23 LEU 30 -0.969 0.762 2.453 232 H CYS 31 HN CYS 31 -6.031 1.045 3.348 233 HA CYS 31 HA CYS 31 -4.986 3.174 1.642 234 1HB CYS 31 HB1 CYS 31 -6.898 0.976 1.591 235 2HB CYS 31 HB2 CYS 31 -7.583 2.418 0.841 236 HG CYS 31 HG CYS 31 -4.743 1.565 -0.081 237 H GLN 32 HN GLN 32 -7.736 2.787 3.864 238 HA GLN 32 HA GLN 32 -9.115 5.207 3.237 239 1HB GLN 32 HB1 GLN 32 -8.819 3.486 5.715 240 2HB GLN 32 HB2 GLN 32 -9.926 4.858 5.654 241 1HG GLN 32 HG1 GLN 32 -10.793 3.758 3.456 242 2HG GLN 32 HG2 GLN 32 -9.998 2.304 4.056 243 1HE2 GLN 32 HE22 GLN 32 -12.369 1.511 4.144 244 2HE2 GLN 32 HE21 GLN 32 -13.256 1.860 5.549 245 H VAL 33 HN VAL 33 -6.224 4.579 5.118 246 HA VAL 33 HA VAL 33 -6.159 7.202 6.425 247 HB VAL 33 HB VAL 33 -4.068 5.042 5.934 248 1HG1 VAL 33 HG11 VAL 33 -3.642 7.656 6.732 249 2HG1 VAL 33 HG12 VAL 33 -2.570 6.300 7.080 250 3HG1 VAL 33 HG13 VAL 33 -3.774 6.799 8.268 251 1HG2 VAL 33 HG21 VAL 33 -5.686 5.636 8.428 252 2HG2 VAL 33 HG22 VAL 33 -4.590 4.279 8.171 253 3HG2 VAL 33 HG23 VAL 33 -6.102 4.375 7.268 254 H VAL 34 HN VAL 34 -4.121 5.616 3.951 255 HA VAL 34 HA VAL 34 -3.382 8.272 2.850 256 HB VAL 34 HB VAL 34 -1.885 6.844 1.417 257 1HG1 VAL 34 HG21 VAL 34 -1.739 7.352 4.189 258 2HG1 VAL 34 HG22 VAL 34 -0.399 7.016 3.093 259 3HG1 VAL 34 HG23 VAL 34 -1.175 5.696 3.968 260 1HG2 VAL 34 HG11 VAL 34 -2.115 4.408 2.916 261 2HG2 VAL 34 HG12 VAL 34 -2.300 4.649 1.179 262 3HG2 VAL 34 HG13 VAL 34 -3.696 4.812 2.242 263 H ARG 35 HN ARG 35 -5.642 8.673 2.158 264 HA ARG 35 HA ARG 35 -7.343 7.251 0.562 265 1HB ARG 35 HB2 ARG 35 -7.930 9.474 -0.440 266 2HB ARG 35 HB1 ARG 35 -7.723 9.543 1.311 267 1HG ARG 35 HG1 ARG 35 -6.148 11.122 1.012 268 2HG ARG 35 HG2 ARG 35 -5.163 9.903 0.202 269 1HD ARG 35 HD2 ARG 35 -5.586 10.787 -1.862 270 2HD ARG 35 HD1 ARG 35 -7.305 11.029 -1.493 271 HE ARG 35 HE ARG 35 -5.181 12.992 -1.103 272 1HH1 ARG 35 HH11 ARG 35 -8.253 11.832 0.055 273 2HH1 ARG 35 HH12 ARG 35 -8.689 13.353 0.751 274 1HH2 ARG 35 HH22 ARG 35 -5.771 14.957 -0.192 275 2HH2 ARG 35 HH21 ARG 35 -7.296 15.111 0.614 276 H LEU 36 HN LEU 36 -6.345 5.774 -0.878 277 HA LEU 36 HA LEU 36 -5.194 7.027 -3.340 278 1HB LEU 36 HB2 LEU 36 -4.011 5.103 -1.394 279 2HB LEU 36 HB1 LEU 36 -3.722 4.757 -3.098 280 HG LEU 36 HG LEU 36 -3.280 7.499 -2.901 281 1HD1 LEU 36 HD11 LEU 36 -3.185 7.632 -0.558 282 2HD1 LEU 36 HD12 LEU 36 -1.492 7.416 -1.004 283 3HD1 LEU 36 HD13 LEU 36 -2.429 6.045 -0.408 284 1HD2 LEU 36 HD21 LEU 36 -1.670 6.537 -4.186 285 2HD2 LEU 36 HD22 LEU 36 -1.718 5.030 -3.270 286 3HD2 LEU 36 HD23 LEU 36 -0.769 6.393 -2.675 287 H VAL 37 HN VAL 37 -6.501 6.337 -5.002 288 HA VAL 37 HA VAL 37 -8.422 4.294 -4.946 289 HB VAL 37 HB VAL 37 -7.942 4.268 -7.514 290 1HG1 VAL 37 HG21 VAL 37 -8.645 6.739 -5.923 291 2HG1 VAL 37 HG22 VAL 37 -9.745 5.583 -6.674 292 3HG1 VAL 37 HG23 VAL 37 -8.791 6.673 -7.680 293 1HG2 VAL 37 HG11 VAL 37 -6.519 6.798 -7.320 294 2HG2 VAL 37 HG12 VAL 37 -6.185 5.397 -8.337 295 3HG2 VAL 37 HG13 VAL 37 -5.567 5.458 -6.687 296 HA PRO 38 HA PRO 38 -6.223 0.523 -4.527 297 1HB PRO 38 HB2 PRO 38 -8.104 -0.568 -6.567 298 2HB PRO 38 HB1 PRO 38 -7.766 -1.153 -4.931 299 1HG PRO 38 HG2 PRO 38 -10.023 0.168 -5.585 300 2HG PRO 38 HG1 PRO 38 -9.286 0.256 -3.979 301 1HD PRO 38 HD1 PRO 38 -9.392 2.288 -6.116 302 2HD PRO 38 HD2 PRO 38 -9.199 2.493 -4.361 303 H GLY 39 HN GLY 39 -7.345 0.983 -7.914 304 1HA GLY 39 HA1 GLY 39 -5.354 -0.427 -9.249 305 2HA GLY 39 HA2 GLY 39 -6.102 1.020 -9.916 306 H ALA 40 HN ALA 40 -5.136 2.885 -7.973 307 HA ALA 40 HA ALA 40 -2.440 3.334 -8.984 308 1HB ALA 40 HB1 ALA 40 -4.305 4.997 -8.306 309 2HB ALA 40 HB2 ALA 40 -2.664 5.392 -7.799 310 3HB ALA 40 HB3 ALA 40 -3.798 4.690 -6.645 311 H TYR 41 HN TYR 41 -3.713 2.907 -5.654 312 HA TYR 41 HA TYR 41 -1.286 2.546 -4.293 313 1HB TYR 41 HB1 TYR 41 -3.410 2.762 -3.161 314 2HB TYR 41 HB2 TYR 41 -4.046 1.335 -3.961 315 HD1 TYR 41 HD1 TYR 41 -3.389 -0.913 -3.265 316 HD2 TYR 41 HD2 TYR 41 -1.806 2.571 -1.314 317 HE1 TYR 41 HE1 TYR 41 -2.554 -2.332 -1.410 318 HE2 TYR 41 HE2 TYR 41 -0.971 1.151 0.541 319 HH TYR 41 HH TYR 41 -1.769 -2.272 0.739 320 H LEU 42 HN LEU 42 -3.114 0.239 -6.259 321 HA LEU 42 HA LEU 42 -1.668 -2.141 -5.575 322 1HB LEU 42 HB2 LEU 42 -3.415 -1.109 -7.769 323 2HB LEU 42 HB1 LEU 42 -2.474 -2.557 -8.119 324 HG LEU 42 HG LEU 42 -3.697 -2.702 -5.482 325 1HD1 LEU 42 HD21 LEU 42 -5.722 -1.817 -5.949 326 2HD1 LEU 42 HD22 LEU 42 -5.954 -3.158 -7.070 327 3HD1 LEU 42 HD23 LEU 42 -5.313 -1.622 -7.654 328 1HD2 LEU 42 HD11 LEU 42 -4.570 -4.837 -6.499 329 2HD2 LEU 42 HD12 LEU 42 -2.821 -4.646 -6.626 330 3HD2 LEU 42 HD13 LEU 42 -3.846 -4.338 -8.028 331 H GLU 43 HN GLU 43 -1.262 0.153 -8.302 332 HA GLU 43 HA GLU 43 1.032 -1.036 -9.475 333 1HB GLU 43 HB2 GLU 43 -0.511 1.409 -9.582 334 2HB GLU 43 HB1 GLU 43 1.207 1.796 -9.672 335 1HG GLU 43 HG1 GLU 43 1.297 -0.163 -11.404 336 2HG GLU 43 HG2 GLU 43 -0.445 0.089 -11.520 337 H TYR 44 HN TYR 44 0.909 1.715 -7.167 338 HA TYR 44 HA TYR 44 3.635 2.077 -6.680 339 1HB TYR 44 HB1 TYR 44 1.168 2.203 -4.923 340 2HB TYR 44 HB2 TYR 44 2.745 2.735 -4.333 341 HD1 TYR 44 HD1 TYR 44 4.064 4.294 -6.094 342 HD2 TYR 44 HD2 TYR 44 -0.199 3.794 -5.933 343 HE1 TYR 44 HE1 TYR 44 3.767 6.446 -7.288 344 HE2 TYR 44 HE2 TYR 44 -0.497 5.946 -7.129 345 HH TYR 44 HH TYR 44 1.124 7.339 -8.833 346 H LYS 45 HN LYS 45 1.487 -0.029 -4.720 347 HA LYS 45 HA LYS 45 3.439 -1.323 -3.163 348 1HB LYS 45 HB1 LYS 45 0.848 -1.436 -3.197 349 2HB LYS 45 HB2 LYS 45 1.042 -2.688 -4.425 350 1HG LYS 45 HG2 LYS 45 2.753 -3.674 -2.643 351 2HG LYS 45 HG1 LYS 45 1.756 -2.748 -1.522 352 1HD LYS 45 HD2 LYS 45 -0.249 -3.879 -2.752 353 2HD LYS 45 HD1 LYS 45 0.959 -5.037 -3.308 354 1HE LYS 45 HE2 LYS 45 1.268 -5.924 -1.199 355 2HE LYS 45 HE1 LYS 45 0.969 -4.371 -0.393 356 1HZ LYS 45 HZ1 LYS 45 -1.108 -5.937 -1.840 357 2HZ LYS 45 HZ2 LYS 45 -1.351 -4.540 -0.905 358 3HZ LYS 45 HZ3 LYS 45 -0.888 -5.992 -0.157 359 H SER 46 HN SER 46 2.293 -2.154 -6.450 360 HA SER 46 HA SER 46 3.801 -4.538 -6.825 361 1HB SER 46 HB2 SER 46 2.227 -2.662 -8.319 362 2HB SER 46 HB1 SER 46 3.689 -3.012 -9.239 363 HG SER 46 HG SER 46 2.662 -4.758 -9.770 364 H ALA 47 HN ALA 47 4.681 -1.126 -7.127 365 HA ALA 47 HA ALA 47 7.281 -1.553 -8.318 366 1HB ALA 47 HB1 ALA 47 7.380 0.763 -8.154 367 2HB ALA 47 HB2 ALA 47 6.674 0.778 -6.537 368 3HB ALA 47 HB3 ALA 47 5.641 0.547 -7.949 369 H LEU 48 HN LEU 48 6.030 -1.655 -5.042 370 HA LEU 48 HA LEU 48 8.667 -1.490 -3.762 371 1HB LEU 48 HB1 LEU 48 6.128 -2.606 -2.544 372 2HB LEU 48 HB2 LEU 48 7.422 -1.731 -1.741 373 HG LEU 48 HG LEU 48 5.325 -0.602 -3.602 374 1HD1 LEU 48 HD21 LEU 48 5.937 -0.484 -0.682 375 2HD1 LEU 48 HD22 LEU 48 4.378 -0.600 -1.498 376 3HD1 LEU 48 HD23 LEU 48 5.231 0.941 -1.444 377 1HD2 LEU 48 HD11 LEU 48 7.091 1.354 -2.374 378 2HD2 LEU 48 HD12 LEU 48 6.617 1.189 -4.064 379 3HD2 LEU 48 HD13 LEU 48 7.985 0.275 -3.439 380 H LEU 49 HN LEU 49 6.392 -4.019 -4.736 381 HA LEU 49 HA LEU 49 7.825 -6.213 -3.503 382 1HB LEU 49 HB1 LEU 49 5.424 -5.684 -4.967 383 2HB LEU 49 HB2 LEU 49 6.273 -6.977 -5.811 384 HG LEU 49 HG LEU 49 4.770 -7.892 -4.083 385 1HD1 LEU 49 HD21 LEU 49 7.397 -8.342 -2.796 386 2HD1 LEU 49 HD22 LEU 49 7.364 -8.609 -4.539 387 3HD1 LEU 49 HD23 LEU 49 6.269 -9.508 -3.490 388 1HD2 LEU 49 HD11 LEU 49 5.956 -7.327 -1.665 389 2HD2 LEU 49 HD12 LEU 49 4.500 -6.544 -2.278 390 3HD2 LEU 49 HD13 LEU 49 6.071 -5.779 -2.504 391 H ASN 50 HN ASN 50 7.824 -4.760 -6.758 392 HA ASN 50 HA ASN 50 9.674 -6.743 -7.851 393 1HB ASN 50 HB1 ASN 50 7.848 -4.931 -8.823 394 2HB ASN 50 HB2 ASN 50 9.367 -4.098 -9.150 395 1HD2 ASN 50 HD22 ASN 50 8.582 -4.624 -11.500 396 2HD2 ASN 50 HD21 ASN 50 9.069 -6.116 -12.145 397 H GLU 51 HN GLU 51 9.965 -3.234 -7.128 398 HA GLU 51 HA GLU 51 12.710 -2.921 -7.635 399 1HB GLU 51 HB1 GLU 51 10.876 -1.232 -6.996 400 2HB GLU 51 HB2 GLU 51 11.203 -1.671 -5.319 401 1HG GLU 51 HG1 GLU 51 12.520 0.302 -5.910 402 2HG GLU 51 HG2 GLU 51 13.601 -1.071 -5.670 403 H CYS 52 HN CYS 52 11.118 -4.138 -4.686 404 HA CYS 52 HA CYS 52 13.560 -4.327 -3.134 405 1HB CYS 52 HB1 CYS 52 11.280 -4.165 -2.183 406 2HB CYS 52 HB2 CYS 52 10.858 -5.708 -2.922 407 HG CYS 52 HG CYS 52 11.607 -6.286 -0.512 408 H HIS 53 HN HIS 53 11.560 -6.761 -4.842 409 HA HIS 53 HA HIS 53 13.060 -9.068 -4.309 410 1HB HIS 53 HB2 HIS 53 10.874 -8.904 -5.498 411 2HB HIS 53 HB1 HIS 53 11.703 -8.220 -6.896 412 HD1 HIS 53 HD1 HIS 53 11.085 -10.265 -8.392 413 HD2 HIS 53 HD2 HIS 53 13.373 -11.251 -5.050 414 HE1 HIS 53 HE1 HIS 53 11.899 -12.635 -8.756 415 H LYS 54 HN LYS 54 13.805 -6.413 -6.497 416 HA LYS 54 HA LYS 54 15.686 -7.588 -8.225 417 1HB LYS 54 HB2 LYS 54 14.842 -4.999 -7.340 418 2HB LYS 54 HB1 LYS 54 16.606 -5.013 -7.345 419 1HG LYS 54 HG1 LYS 54 16.687 -5.041 -9.605 420 2HG LYS 54 HG2 LYS 54 15.488 -6.330 -9.701 421 1HD LYS 54 HD2 LYS 54 14.474 -3.658 -8.889 422 2HD LYS 54 HD1 LYS 54 15.009 -3.810 -10.563 423 1HE LYS 54 HE1 LYS 54 13.497 -5.698 -10.922 424 2HE LYS 54 HE2 LYS 54 13.030 -5.683 -9.211 425 1HZ LYS 54 HZ1 LYS 54 12.754 -3.364 -11.054 426 2HZ LYS 54 HZ2 LYS 54 12.197 -3.458 -9.453 427 3HZ LYS 54 HZ3 LYS 54 11.482 -4.418 -10.659 428 H GLN 55 HN GLN 55 16.643 -5.717 -5.320 429 HA GLN 55 HA GLN 55 19.231 -7.097 -5.234 430 1HB GLN 55 HB2 GLN 55 17.862 -5.057 -3.441 431 2HB GLN 55 HB1 GLN 55 19.559 -5.520 -3.318 432 1HG GLN 55 HG2 GLN 55 18.339 -4.444 -5.871 433 2HG GLN 55 HG1 GLN 55 19.090 -3.402 -4.662 434 1HE2 GLN 55 HE21 GLN 55 19.973 -4.198 -7.508 435 2HE2 GLN 55 HE22 GLN 55 21.564 -4.753 -7.304 436 H GLY 56 HN GLY 56 16.781 -6.565 -2.670 437 1HA GLY 56 HA1 GLY 56 15.793 -8.709 -1.684 438 2HA GLY 56 HA2 GLY 56 17.457 -9.292 -1.638 439 H GLY 57 HN GLY 57 16.339 -6.016 -0.866 440 1HA GLY 57 HA1 GLY 57 16.092 -6.121 1.899 441 2HA GLY 57 HA2 GLY 57 17.831 -6.008 1.622 442 H LEU 58 HN LEU 58 15.032 -4.525 -0.030 443 HA LEU 58 HA LEU 58 16.310 -2.046 -0.575 444 1HB LEU 58 HB1 LEU 58 13.741 -3.320 -0.827 445 2HB LEU 58 HB2 LEU 58 13.492 -1.687 -0.213 446 HG LEU 58 HG LEU 58 13.500 -1.756 -2.698 447 1HD1 LEU 58 HD11 LEU 58 15.826 -0.338 -1.370 448 2HD1 LEU 58 HD12 LEU 58 14.206 0.304 -1.642 449 3HD1 LEU 58 HD13 LEU 58 15.276 0.000 -3.010 450 1HD2 LEU 58 HD21 LEU 58 16.364 -2.103 -3.012 451 2HD2 LEU 58 HD22 LEU 58 15.047 -2.930 -3.843 452 3HD2 LEU 58 HD23 LEU 58 15.635 -3.541 -2.297 453 H ARG 59 HN ARG 59 16.152 -0.003 0.516 454 HA ARG 59 HA ARG 59 15.791 -0.247 3.458 455 1HB ARG 59 HB1 ARG 59 17.542 1.095 1.639 456 2HB ARG 59 HB2 ARG 59 16.675 2.335 2.545 457 1HG ARG 59 HG2 ARG 59 17.524 1.624 4.592 458 2HG ARG 59 HG1 ARG 59 17.806 -0.020 4.019 459 1HD ARG 59 HD2 ARG 59 19.642 0.865 2.546 460 2HD ARG 59 HD1 ARG 59 19.416 2.455 3.299 461 HE ARG 59 HE ARG 59 19.622 0.649 5.429 462 1HH1 ARG 59 HH22 ARG 59 21.585 1.604 2.718 463 2HH1 ARG 59 HH21 ARG 59 23.071 1.272 3.538 464 1HH2 ARG 59 HH12 ARG 59 21.561 0.226 6.471 465 2HH2 ARG 59 HH11 ARG 59 23.060 0.498 5.647 466 H LEU 60 HN LEU 60 14.089 0.756 4.502 467 HA LEU 60 HA LEU 60 11.773 1.641 3.171 468 1HB LEU 60 HB2 LEU 60 11.992 0.972 5.563 469 2HB LEU 60 HB1 LEU 60 12.876 2.462 5.885 470 HG LEU 60 HG LEU 60 10.914 3.788 5.210 471 1HD1 LEU 60 HD11 LEU 60 9.598 1.078 4.830 472 2HD1 LEU 60 HD12 LEU 60 9.978 2.232 3.549 473 3HD1 LEU 60 HD13 LEU 60 8.762 2.634 4.761 474 1HD2 LEU 60 HD21 LEU 60 9.787 1.736 7.082 475 2HD2 LEU 60 HD22 LEU 60 9.760 3.496 7.203 476 3HD2 LEU 60 HD23 LEU 60 11.241 2.610 7.567 477 H ALA 61 HN ALA 61 14.577 3.528 4.305 478 HA ALA 61 HA ALA 61 13.648 6.152 3.863 479 1HB ALA 61 HB1 ALA 61 15.973 4.929 4.596 480 2HB ALA 61 HB2 ALA 61 15.876 6.642 4.187 481 3HB ALA 61 HB3 ALA 61 16.405 5.474 2.976 482 H GLN 62 HN GLN 62 15.515 4.156 1.533 483 HA GLN 62 HA GLN 62 15.293 5.786 -0.748 484 1HB GLN 62 HB1 GLN 62 15.240 2.772 -0.358 485 2HB GLN 62 HB2 GLN 62 15.457 3.534 -1.935 486 1HG GLN 62 HG1 GLN 62 17.236 4.643 0.115 487 2HG GLN 62 HG2 GLN 62 17.495 2.920 -0.156 488 1HE2 GLN 62 HE22 GLN 62 19.530 3.286 -1.300 489 2HE2 GLN 62 HE21 GLN 62 19.561 3.967 -2.855 490 H ALA 63 HN ALA 63 12.961 3.550 0.674 491 HA ALA 63 HA ALA 63 11.020 3.548 -1.429 492 1HB ALA 63 HB1 ALA 63 10.196 3.438 1.432 493 2HB ALA 63 HB2 ALA 63 11.416 2.269 0.921 494 3HB ALA 63 HB3 ALA 63 9.843 2.310 0.123 495 H ARG 64 HN ARG 64 11.628 5.729 1.278 496 HA ARG 64 HA ARG 64 9.233 7.280 1.108 497 1HB ARG 64 HB2 ARG 64 12.004 8.302 1.804 498 2HB ARG 64 HB1 ARG 64 10.464 8.868 2.438 499 1HG ARG 64 HG2 ARG 64 11.892 6.278 3.057 500 2HG ARG 64 HG1 ARG 64 11.405 7.541 4.172 501 1HD ARG 64 HD2 ARG 64 9.382 5.923 2.584 502 2HD ARG 64 HD1 ARG 64 9.941 5.453 4.202 503 HE ARG 64 HE ARG 64 8.171 7.684 3.625 504 1HH1 ARG 64 HH21 ARG 64 10.733 6.559 5.701 505 2HH1 ARG 64 HH22 ARG 64 10.272 7.587 7.013 506 1HH2 ARG 64 HH11 ARG 64 7.594 9.010 5.353 507 2HH2 ARG 64 HH12 ARG 64 8.512 8.962 6.820 508 H ALA 65 HN ALA 65 12.407 7.616 -0.461 509 HA ALA 65 HA ALA 65 11.437 9.869 -2.118 510 1HB ALA 65 HB1 ALA 65 14.004 8.424 -1.538 511 2HB ALA 65 HB2 ALA 65 13.646 10.146 -1.406 512 3HB ALA 65 HB3 ALA 65 13.904 9.417 -2.991 513 H LEU 66 HN LEU 66 11.176 6.526 -2.343 514 HA LEU 66 HA LEU 66 11.800 6.301 -5.207 515 1HB LEU 66 HB1 LEU 66 12.287 4.491 -3.636 516 2HB LEU 66 HB2 LEU 66 10.599 4.428 -3.135 517 HG LEU 66 HG LEU 66 10.064 3.959 -5.613 518 1HD1 LEU 66 HD11 LEU 66 12.335 2.637 -6.409 519 2HD1 LEU 66 HD12 LEU 66 13.011 4.058 -5.613 520 3HD1 LEU 66 HD13 LEU 66 11.880 4.252 -6.952 521 1HD2 LEU 66 HD21 LEU 66 11.627 1.633 -4.794 522 2HD2 LEU 66 HD22 LEU 66 9.879 1.806 -4.955 523 3HD2 LEU 66 HD23 LEU 66 10.681 2.297 -3.463 524 H ILE 67 HN ILE 67 8.857 5.136 -3.568 525 HA ILE 67 HA ILE 67 7.288 5.907 -5.955 526 HB ILE 67 HB ILE 67 5.562 4.506 -4.830 527 1HG1 ILE 67 HG12 ILE 67 7.602 3.960 -2.675 528 2HG1 ILE 67 HG11 ILE 67 6.410 5.246 -2.499 529 1HG2 ILE 67 HG21 ILE 67 6.585 2.567 -5.468 530 2HG2 ILE 67 HG22 ILE 67 8.002 2.866 -4.462 531 3HG2 ILE 67 HG23 ILE 67 7.849 3.662 -6.028 532 1HD1 ILE 67 HD11 ILE 67 5.423 2.561 -3.360 533 2HD1 ILE 67 HD12 ILE 67 4.640 3.770 -2.343 534 3HD1 ILE 67 HD13 ILE 67 5.912 2.746 -1.675 535 H LYS 68 HN LYS 68 4.815 6.372 -4.925 536 HA LYS 68 HA LYS 68 3.464 8.118 -4.100 537 1HB LYS 68 HB2 LYS 68 5.662 7.949 -2.015 538 2HB LYS 68 HB1 LYS 68 4.117 8.764 -1.773 539 1HG LYS 68 HG2 LYS 68 4.383 5.849 -2.559 540 2HG LYS 68 HG1 LYS 68 4.150 6.402 -0.902 541 1HD LYS 68 HD2 LYS 68 1.934 6.223 -1.390 542 2HD LYS 68 HD1 LYS 68 2.166 7.766 -2.207 543 1HE LYS 68 HE1 LYS 68 2.983 6.016 -4.154 544 2HE LYS 68 HE2 LYS 68 1.699 5.085 -3.362 545 1HZ LYS 68 HZ1 LYS 68 0.361 6.378 -4.623 546 2HZ LYS 68 HZ2 LYS 68 1.534 7.583 -4.846 547 3HZ LYS 68 HZ3 LYS 68 0.614 7.544 -3.419 548 H ILE 69 HN ILE 69 4.272 10.469 -2.667 549 HA ILE 69 HA ILE 69 6.115 11.791 -4.615 550 HB ILE 69 HB ILE 69 4.348 13.721 -4.460 551 1HG1 ILE 69 HG12 ILE 69 2.054 12.982 -4.095 552 2HG1 ILE 69 HG11 ILE 69 2.604 11.341 -3.757 553 1HG2 ILE 69 HG21 ILE 69 4.888 11.951 -6.338 554 2HG2 ILE 69 HG22 ILE 69 3.452 12.968 -6.458 555 3HG2 ILE 69 HG23 ILE 69 3.310 11.308 -5.881 556 1HD1 ILE 69 HD11 ILE 69 3.441 11.900 -1.690 557 2HD1 ILE 69 HD12 ILE 69 2.103 13.042 -1.794 558 3HD1 ILE 69 HD13 ILE 69 3.745 13.577 -2.145 559 H ASP 70 HN ASP 70 5.275 11.396 -1.311 560 HA ASP 70 HA ASP 70 6.960 13.783 -0.652 561 1HB ASP 70 HB1 ASP 70 4.221 13.169 0.018 562 2HB ASP 70 HB2 ASP 70 5.181 13.328 1.487 563 H VAL 71 HN VAL 71 5.561 11.484 1.666 564 HA VAL 71 HA VAL 71 7.928 9.845 1.889 565 HB VAL 71 HB VAL 71 8.729 12.112 2.613 566 1HG1 VAL 71 HG21 VAL 71 7.930 13.104 4.655 567 2HG1 VAL 71 HG22 VAL 71 6.900 11.712 4.988 568 3HG1 VAL 71 HG23 VAL 71 6.525 12.784 3.639 569 1HG2 VAL 71 HG11 VAL 71 8.918 10.745 5.167 570 2HG2 VAL 71 HG12 VAL 71 10.175 11.034 3.964 571 3HG2 VAL 71 HG13 VAL 71 9.130 9.620 3.825 572 H ASN 72 HN ASN 72 5.214 11.291 3.710 573 HA ASN 72 HA ASN 72 4.962 9.051 5.565 574 1HB ASN 72 HB2 ASN 72 3.510 11.542 4.791 575 2HB ASN 72 HB1 ASN 72 2.546 10.289 5.574 576 1HD2 ASN 72 HD22 ASN 72 3.037 12.737 6.930 577 2HD2 ASN 72 HD21 ASN 72 4.078 12.444 8.239 578 H LYS 73 HN LYS 73 3.867 9.816 2.368 579 HA LYS 73 HA LYS 73 1.658 8.028 2.087 580 1HB LYS 73 HB2 LYS 73 3.732 9.286 0.261 581 2HB LYS 73 HB1 LYS 73 2.391 8.338 -0.373 582 1HG LYS 73 HG2 LYS 73 1.120 10.170 -0.264 583 2HG LYS 73 HG1 LYS 73 1.236 10.092 1.488 584 1HD LYS 73 HD1 LYS 73 3.589 11.255 0.107 585 2HD LYS 73 HD2 LYS 73 2.112 12.188 -0.065 586 1HE LYS 73 HE2 LYS 73 3.710 11.638 2.431 587 2HE LYS 73 HE1 LYS 73 3.014 13.151 1.850 588 1HZ LYS 73 HZ1 LYS 73 1.670 10.908 3.195 589 2HZ LYS 73 HZ2 LYS 73 0.787 11.875 2.113 590 3HZ LYS 73 HZ3 LYS 73 1.521 12.576 3.474 591 H THR 74 HN THR 74 5.083 7.668 1.097 592 HA THR 74 HA THR 74 4.846 4.852 0.501 593 HB THR 74 HB THR 74 7.236 6.588 1.224 594 HG1 THR 74 HG1 THR 74 7.286 7.095 -0.850 595 1HG2 THR 74 HG21 THR 74 7.014 3.775 0.824 596 2HG2 THR 74 HG22 THR 74 8.485 4.727 1.009 597 3HG2 THR 74 HG23 THR 74 7.811 4.444 -0.597 598 H ARG 75 HN ARG 75 6.055 6.644 3.346 599 HA ARG 75 HA ARG 75 7.049 4.599 4.931 600 1HB ARG 75 HB2 ARG 75 6.721 7.160 5.299 601 2HB ARG 75 HB1 ARG 75 5.169 6.710 6.005 602 1HG ARG 75 HG1 ARG 75 7.227 4.986 7.049 603 2HG ARG 75 HG2 ARG 75 7.712 6.668 7.260 604 1HD ARG 75 HD1 ARG 75 5.576 7.170 8.373 605 2HD ARG 75 HD2 ARG 75 5.032 5.503 8.108 606 HE ARG 75 HE ARG 75 6.496 4.809 9.839 607 1HH1 ARG 75 HH22 ARG 75 7.285 8.021 8.753 608 2HH1 ARG 75 HH21 ARG 75 8.456 8.273 9.999 609 1HH2 ARG 75 HH11 ARG 75 8.021 5.160 11.447 610 2HH2 ARG 75 HH12 ARG 75 8.872 6.668 11.514 611 H LYS 76 HN LYS 76 3.634 5.332 4.278 612 HA LYS 76 HA LYS 76 2.706 3.356 6.236 613 1HB LYS 76 HB2 LYS 76 1.294 4.931 4.059 614 2HB LYS 76 HB1 LYS 76 0.499 4.048 5.363 615 1HG LYS 76 HG1 LYS 76 1.412 5.481 7.034 616 2HG LYS 76 HG2 LYS 76 2.582 6.172 5.910 617 1HD LYS 76 HD1 LYS 76 0.758 7.230 4.645 618 2HD LYS 76 HD2 LYS 76 -0.429 6.506 5.731 619 1HE LYS 76 HE2 LYS 76 1.094 7.715 7.582 620 2HE LYS 76 HE1 LYS 76 1.433 8.793 6.215 621 1HZ LYS 76 HZ1 LYS 76 -0.579 9.483 7.380 622 2HZ LYS 76 HZ2 LYS 76 -1.266 7.947 7.147 623 3HZ LYS 76 HZ3 LYS 76 -0.957 8.950 5.812 624 H ILE 77 HN ILE 77 2.665 3.563 2.630 625 HA ILE 77 HA ILE 77 1.574 0.941 2.212 626 HB ILE 77 HB ILE 77 3.509 2.610 0.553 627 1HG1 ILE 77 HG11 ILE 77 0.480 2.441 0.613 628 2HG1 ILE 77 HG12 ILE 77 1.473 3.844 0.994 629 1HG2 ILE 77 HG21 ILE 77 3.317 0.138 -0.027 630 2HG2 ILE 77 HG22 ILE 77 2.873 1.249 -1.323 631 3HG2 ILE 77 HG23 ILE 77 1.617 0.438 -0.387 632 1HD1 ILE 77 HD11 ILE 77 1.293 2.507 -1.720 633 2HD1 ILE 77 HD12 ILE 77 2.298 3.903 -1.332 634 3HD1 ILE 77 HD13 ILE 77 0.540 4.038 -1.275 635 H TYR 78 HN TYR 78 4.957 2.073 2.179 636 HA TYR 78 HA TYR 78 6.167 -0.484 1.829 637 1HB TYR 78 HB2 TYR 78 6.893 2.198 1.960 638 2HB TYR 78 HB1 TYR 78 7.693 1.497 3.367 639 HD1 TYR 78 HD1 TYR 78 7.191 1.018 -0.306 640 HD2 TYR 78 HD2 TYR 78 9.645 0.189 3.119 641 HE1 TYR 78 HE1 TYR 78 8.915 0.011 -1.777 642 HE2 TYR 78 HE2 TYR 78 11.366 -0.815 1.647 643 HH TYR 78 HH TYR 78 10.800 -1.754 -1.458 644 H ASP 79 HN ASP 79 5.387 1.339 4.831 645 HA ASP 79 HA ASP 79 6.773 -0.340 6.658 646 1HB ASP 79 HB1 ASP 79 5.803 1.750 7.358 647 2HB ASP 79 HB2 ASP 79 4.195 1.259 6.828 648 H PHE 80 HN PHE 80 3.435 -0.624 5.389 649 HA PHE 80 HA PHE 80 2.691 -2.973 6.812 650 1HB PHE 80 HB1 PHE 80 1.260 -1.411 5.421 651 2HB PHE 80 HB2 PHE 80 1.946 -2.158 3.978 652 HD1 PHE 80 HD1 PHE 80 0.144 -2.981 7.154 653 HD2 PHE 80 HD2 PHE 80 1.014 -4.138 3.109 654 HE1 PHE 80 HE1 PHE 80 -1.503 -4.827 7.328 655 HE2 PHE 80 HE2 PHE 80 -0.632 -5.984 3.283 656 HZ PHE 80 HZ PHE 80 -1.890 -6.329 5.393 657 H LEU 81 HN LEU 81 3.693 -2.835 3.366 658 HA LEU 81 HA LEU 81 4.119 -5.591 2.984 659 1HB LEU 81 HB2 LEU 81 5.619 -3.197 1.852 660 2HB LEU 81 HB1 LEU 81 5.564 -4.800 1.118 661 HG LEU 81 HG LEU 81 2.933 -3.601 1.768 662 1HD1 LEU 81 HD21 LEU 81 3.094 -1.740 0.496 663 2HD1 LEU 81 HD22 LEU 81 3.845 -2.642 -0.821 664 3HD1 LEU 81 HD23 LEU 81 4.841 -1.986 0.478 665 1HD2 LEU 81 HD11 LEU 81 4.125 -5.583 0.026 666 2HD2 LEU 81 HD12 LEU 81 3.133 -4.463 -0.904 667 3HD2 LEU 81 HD13 LEU 81 2.429 -5.352 0.446 668 H ILE 82 HN ILE 82 6.297 -3.166 4.372 669 HA ILE 82 HA ILE 82 8.684 -4.725 4.447 670 HB ILE 82 HB ILE 82 7.554 -2.350 5.867 671 1HG1 ILE 82 HG12 ILE 82 8.418 -2.326 3.508 672 2HG1 ILE 82 HG11 ILE 82 9.213 -1.212 4.587 673 1HG2 ILE 82 HG21 ILE 82 9.960 -3.929 6.675 674 2HG2 ILE 82 HG22 ILE 82 8.872 -2.958 7.666 675 3HG2 ILE 82 HG23 ILE 82 10.100 -2.171 6.674 676 1HD1 ILE 82 HD11 ILE 82 10.916 -3.218 4.904 677 2HD1 ILE 82 HD12 ILE 82 11.052 -2.122 3.539 678 3HD1 ILE 82 HD13 ILE 82 10.295 -3.699 3.334 679 H ARG 83 HN ARG 83 6.976 -3.741 7.378 680 HA ARG 83 HA ARG 83 7.877 -5.715 9.112 681 1HB ARG 83 HB1 ARG 83 5.313 -4.139 8.858 682 2HB ARG 83 HB2 ARG 83 5.593 -5.188 10.247 683 1HG ARG 83 HG2 ARG 83 6.757 -3.482 11.164 684 2HG ARG 83 HG1 ARG 83 7.968 -3.729 9.917 685 1HD ARG 83 HD2 ARG 83 7.165 -1.989 8.621 686 2HD ARG 83 HD1 ARG 83 5.522 -2.118 9.264 687 HE ARG 83 HE ARG 83 6.195 -0.733 11.066 688 1HH1 ARG 83 HH11 ARG 83 8.962 -2.102 9.456 689 2HH1 ARG 83 HH12 ARG 83 10.095 -1.193 10.393 690 1HH2 ARG 83 HH22 ARG 83 7.689 0.436 12.270 691 2HH2 ARG 83 HH21 ARG 83 9.384 0.233 11.973 692 H GLU 84 HN GLU 84 5.444 -6.044 6.602 693 HA GLU 84 HA GLU 84 4.499 -8.641 7.664 694 1HB GLU 84 HB2 GLU 84 3.854 -6.910 5.255 695 2HB GLU 84 HB1 GLU 84 3.088 -8.470 5.540 696 1HG GLU 84 HG2 GLU 84 3.112 -6.337 7.672 697 2HG GLU 84 HG1 GLU 84 1.870 -6.360 6.420 698 H GLY 85 HN GLY 85 4.293 -10.338 5.708 699 1HA GLY 85 HA1 GLY 85 7.063 -10.840 4.821 700 2HA GLY 85 HA2 GLY 85 5.718 -11.976 4.703 701 H TYR 86 HN TYR 86 6.767 -8.820 3.373 702 HA TYR 86 HA TYR 86 5.699 -9.726 0.724 703 1HB TYR 86 HB1 TYR 86 5.177 -7.274 2.371 704 2HB TYR 86 HB2 TYR 86 5.180 -7.110 0.615 705 HD1 TYR 86 HD1 TYR 86 3.830 -8.998 -0.679 706 HD2 TYR 86 HD2 TYR 86 3.196 -7.907 3.426 707 HE1 TYR 86 HE1 TYR 86 1.552 -9.972 -0.773 708 HE2 TYR 86 HE2 TYR 86 0.917 -8.880 3.333 709 HH TYR 86 HH TYR 86 -0.627 -9.665 0.455 710 H ILE 87 HN ILE 87 7.407 -6.835 1.992 711 HA ILE 87 HA ILE 87 9.458 -7.275 -0.150 712 HB ILE 87 HB ILE 87 9.634 -4.821 -0.174 713 1HG1 ILE 87 HG11 ILE 87 7.362 -4.725 1.799 714 2HG1 ILE 87 HG12 ILE 87 9.035 -4.699 2.339 715 1HG2 ILE 87 HG21 ILE 87 7.061 -4.390 -0.629 716 2HG2 ILE 87 HG22 ILE 87 6.964 -6.143 -0.471 717 3HG2 ILE 87 HG23 ILE 87 8.003 -5.426 -1.701 718 1HD1 ILE 87 HD11 ILE 87 9.404 -2.591 1.519 719 2HD1 ILE 87 HD12 ILE 87 7.653 -2.457 1.684 720 3HD1 ILE 87 HD13 ILE 87 8.364 -2.848 0.118 721 H THR 88 HN THR 88 11.086 -5.094 1.041 722 HA THR 88 HA THR 88 12.713 -6.739 2.713 723 HB THR 88 HB THR 88 13.527 -5.040 1.129 724 HG1 THR 88 HG1 THR 88 14.961 -3.990 2.676 725 1HG2 THR 88 HG21 THR 88 12.742 -2.929 3.102 726 2HG2 THR 88 HG22 THR 88 11.564 -3.483 1.913 727 3HG2 THR 88 HG23 THR 88 13.084 -2.770 1.381 728 H LYS 89 HN LYS 89 13.749 -5.047 4.598 729 HA LYS 89 HA LYS 89 11.885 -3.844 6.398 730 1HB LYS 89 HB2 LYS 89 11.083 -6.245 6.418 731 2HB LYS 89 HB1 LYS 89 12.652 -6.706 7.073 732 1HG LYS 89 HG2 LYS 89 11.669 -4.506 8.609 733 2HG LYS 89 HG1 LYS 89 10.368 -5.688 8.470 734 1HD LYS 89 HD1 LYS 89 11.419 -7.134 9.851 735 2HD LYS 89 HD2 LYS 89 12.940 -6.968 8.976 736 1HE LYS 89 HE1 LYS 89 13.697 -5.850 10.812 737 2HE LYS 89 HE2 LYS 89 12.647 -4.516 10.297 738 1HZ LYS 89 HZ1 LYS 89 10.894 -5.297 11.606 739 2HZ LYS 89 HZ2 LYS 89 12.249 -5.503 12.610 740 3HZ LYS 89 HZ3 LYS 89 11.584 -6.838 11.796 741 H ALA 90 HN ALA 90 14.641 -3.548 5.394 742 HA ALA 90 HA ALA 90 16.391 -4.137 7.697 743 1HB ALA 90 HB1 ALA 90 17.073 -2.447 5.294 744 2HB ALA 90 HB2 ALA 90 16.844 -4.185 5.102 745 3HB ALA 90 HB3 ALA 90 18.103 -3.574 6.177 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 24.303 -16.248 3.301 2 2H GLY 1 HT2 GLY 1 23.608 -17.686 3.876 3 3H GLY 1 HT3 GLY 1 23.106 -16.190 4.504 4 1HA GLY 1 HA1 GLY 1 22.515 -17.395 1.881 5 2HA GLY 1 HA2 GLY 1 21.401 -16.693 3.054 6 H SER 2 HN SER 2 21.401 -15.895 0.347 7 HA SER 2 HA SER 2 22.689 -13.191 0.424 8 1HB SER 2 HB2 SER 2 23.212 -14.879 -1.405 9 2HB SER 2 HB1 SER 2 21.530 -14.741 -1.919 10 HG SER 2 HG SER 2 21.876 -12.520 -2.238 11 H ASN 3 HN ASN 3 21.306 -11.508 0.799 12 HA ASN 3 HA ASN 3 18.531 -11.642 -0.266 13 1HB ASN 3 HB1 ASN 3 17.700 -10.988 2.012 14 2HB ASN 3 HB2 ASN 3 18.457 -12.580 2.000 15 1HD2 ASN 3 HD21 ASN 3 18.874 -9.222 3.057 16 2HD2 ASN 3 HD22 ASN 3 20.203 -9.521 4.070 17 H SER 4 HN SER 4 18.160 -9.710 -1.273 18 HA SER 4 HA SER 4 19.054 -7.189 -0.014 19 1HB SER 4 HB2 SER 4 20.118 -8.382 -2.577 20 2HB SER 4 HB1 SER 4 20.115 -6.634 -2.343 21 HG SER 4 HG SER 4 21.609 -8.602 -1.094 22 H GLY 5 HN GLY 5 18.080 -5.299 -1.120 23 1HA GLY 5 HA1 GLY 5 16.380 -5.357 -3.350 24 2HA GLY 5 HA2 GLY 5 15.373 -5.810 -1.973 25 H ARG 6 HN ARG 6 17.751 -3.311 -2.934 26 HA ARG 6 HA ARG 6 15.951 -1.239 -1.800 27 1HB ARG 6 HB2 ARG 6 17.882 -0.367 -0.443 28 2HB ARG 6 HB1 ARG 6 17.361 -1.973 0.066 29 1HG ARG 6 HG2 ARG 6 19.262 -2.374 -1.992 30 2HG ARG 6 HG1 ARG 6 19.940 -1.143 -0.927 31 1HD ARG 6 HD2 ARG 6 18.814 -3.046 0.812 32 2HD ARG 6 HD1 ARG 6 19.630 -3.994 -0.445 33 HE ARG 6 HE ARG 6 21.258 -1.747 0.366 34 1HH1 ARG 6 HH12 ARG 6 20.205 -4.919 1.341 35 2HH1 ARG 6 HH11 ARG 6 21.617 -5.213 2.296 36 1HH2 ARG 6 HH22 ARG 6 23.079 -2.152 1.610 37 2HH2 ARG 6 HH21 ARG 6 23.233 -3.660 2.448 38 H ARG 7 HN ARG 7 15.904 -0.822 -4.204 39 HA ARG 7 HA ARG 7 18.363 0.125 -5.491 40 1HB ARG 7 HB1 ARG 7 15.422 0.206 -6.262 41 2HB ARG 7 HB2 ARG 7 16.762 0.553 -7.355 42 1HG ARG 7 HG1 ARG 7 17.084 -1.990 -5.935 43 2HG ARG 7 HG2 ARG 7 15.633 -1.945 -6.936 44 1HD ARG 7 HD1 ARG 7 17.228 -2.639 -8.505 45 2HD ARG 7 HD2 ARG 7 17.317 -0.880 -8.714 46 HE ARG 7 HE ARG 7 19.053 -1.501 -6.587 47 1HH1 ARG 7 HH12 ARG 7 18.735 -2.291 -9.963 48 2HH1 ARG 7 HH11 ARG 7 20.436 -2.507 -10.186 49 1HH2 ARG 7 HH22 ARG 7 21.256 -1.786 -6.900 50 2HH2 ARG 7 HH21 ARG 7 21.856 -2.223 -8.465 51 H SER 8 HN SER 8 18.125 2.378 -6.652 52 HA SER 8 HA SER 8 18.077 4.438 -4.686 53 1HB SER 8 HB2 SER 8 17.989 5.876 -6.831 54 2HB SER 8 HB1 SER 8 19.315 4.719 -6.713 55 HG SER 8 HG SER 8 18.568 3.821 -8.434 56 H ALA 9 HN ALA 9 15.928 4.673 -7.499 57 HA ALA 9 HA ALA 9 13.672 5.348 -7.650 58 1HB ALA 9 HB1 ALA 9 13.491 3.996 -4.939 59 2HB ALA 9 HB2 ALA 9 13.589 3.098 -6.453 60 3HB ALA 9 HB3 ALA 9 12.211 4.154 -6.142 61 HA PRO 10 HA PRO 10 12.872 9.117 -5.564 62 1HB PRO 10 HB2 PRO 10 10.299 7.876 -4.684 63 2HB PRO 10 HB1 PRO 10 10.546 9.461 -5.429 64 1HG PRO 10 HG2 PRO 10 9.591 7.497 -6.844 65 2HG PRO 10 HG1 PRO 10 10.909 8.469 -7.527 66 1HD PRO 10 HD1 PRO 10 11.014 5.753 -6.266 67 2HD PRO 10 HD2 PRO 10 11.814 6.368 -7.706 68 HA PRO 11 HA PRO 11 14.024 7.698 -1.430 69 1HB PRO 11 HB2 PRO 11 15.159 10.357 -1.020 70 2HB PRO 11 HB1 PRO 11 16.006 8.809 -1.169 71 1HG PRO 11 HG1 PRO 11 16.100 10.799 -3.037 72 2HG PRO 11 HG2 PRO 11 16.370 9.088 -3.390 73 1HD PRO 11 HD1 PRO 11 13.957 10.766 -3.882 74 2HD PRO 11 HD2 PRO 11 14.625 9.431 -4.843 75 H LEU 12 HN LEU 12 12.279 7.708 -0.073 76 HA LEU 12 HA LEU 12 11.251 10.362 0.859 77 1HB LEU 12 HB1 LEU 12 9.815 7.934 -0.206 78 2HB LEU 12 HB2 LEU 12 8.995 9.013 0.920 79 HG LEU 12 HG LEU 12 10.106 10.797 -0.839 80 1HD1 LEU 12 HD21 LEU 12 10.880 9.327 -2.478 81 2HD1 LEU 12 HD22 LEU 12 9.269 9.718 -3.079 82 3HD1 LEU 12 HD23 LEU 12 9.549 8.196 -2.232 83 1HD2 LEU 12 HD11 LEU 12 7.419 9.457 -0.653 84 2HD2 LEU 12 HD12 LEU 12 7.720 10.655 -1.913 85 3HD2 LEU 12 HD13 LEU 12 7.870 11.105 -0.214 86 H ASN 13 HN ASN 13 9.443 9.428 2.742 87 HA ASN 13 HA ASN 13 10.973 8.823 5.009 88 1HB ASN 13 HB2 ASN 13 8.149 8.757 4.147 89 2HB ASN 13 HB1 ASN 13 8.502 7.707 5.519 90 1HD2 ASN 13 HD22 ASN 13 8.509 11.086 4.424 91 2HD2 ASN 13 HD21 ASN 13 8.689 11.767 5.969 92 H LEU 14 HN LEU 14 9.866 6.693 2.491 93 HA LEU 14 HA LEU 14 10.321 4.238 4.059 94 1HB LEU 14 HB1 LEU 14 8.554 4.707 2.238 95 2HB LEU 14 HB2 LEU 14 9.874 4.555 1.079 96 HG LEU 14 HG LEU 14 10.052 2.351 2.885 97 1HD1 LEU 14 HD11 LEU 14 7.312 3.205 2.256 98 2HD1 LEU 14 HD12 LEU 14 7.882 2.064 3.474 99 3HD1 LEU 14 HD13 LEU 14 7.650 1.535 1.807 100 1HD2 LEU 14 HD21 LEU 14 8.914 1.995 0.161 101 2HD2 LEU 14 HD22 LEU 14 10.289 1.193 0.919 102 3HD2 LEU 14 HD23 LEU 14 10.471 2.818 0.257 103 H THR 15 HN THR 15 12.487 6.372 2.966 104 HA THR 15 HA THR 15 14.205 4.950 1.184 105 HB THR 15 HB THR 15 15.904 6.563 2.412 106 HG1 THR 15 HG1 THR 15 14.753 6.985 4.234 107 1HG2 THR 15 HG21 THR 15 13.961 6.867 0.367 108 2HG2 THR 15 HG22 THR 15 15.444 7.794 0.590 109 3HG2 THR 15 HG23 THR 15 13.938 8.350 1.321 110 H GLY 16 HN GLY 16 15.639 3.302 1.556 111 1HA GLY 16 HA2 GLY 16 16.803 1.622 2.702 112 2HA GLY 16 HA1 GLY 16 17.068 2.832 3.958 113 H LEU 17 HN LEU 17 16.126 2.412 5.884 114 HA LEU 17 HA LEU 17 14.745 1.415 7.508 115 1HB LEU 17 HB2 LEU 17 13.081 2.003 5.108 116 2HB LEU 17 HB1 LEU 17 12.358 0.950 6.321 117 HG LEU 17 HG LEU 17 13.745 3.340 7.381 118 1HD1 LEU 17 HD21 LEU 17 11.605 3.502 5.351 119 2HD1 LEU 17 HD22 LEU 17 12.753 4.733 5.877 120 3HD1 LEU 17 HD23 LEU 17 11.298 4.424 6.823 121 1HD2 LEU 17 HD11 LEU 17 11.502 3.355 8.661 122 2HD2 LEU 17 HD12 LEU 17 12.585 1.990 8.938 123 3HD2 LEU 17 HD13 LEU 17 11.194 1.809 7.869 124 HA PRO 18 HA PRO 18 14.855 -2.920 6.858 125 1HB PRO 18 HB2 PRO 18 13.198 -3.820 8.820 126 2HB PRO 18 HB1 PRO 18 14.729 -3.005 9.190 127 1HG PRO 18 HG2 PRO 18 11.944 -1.959 9.290 128 2HG PRO 18 HG1 PRO 18 13.319 -1.612 10.346 129 1HD PRO 18 HD1 PRO 18 12.415 0.010 8.276 130 2HD PRO 18 HD2 PRO 18 14.017 0.104 9.035 131 H GLY 19 HN GLY 19 11.455 -1.907 7.412 132 1HA GLY 19 HA1 GLY 19 10.305 -4.174 6.105 133 2HA GLY 19 HA2 GLY 19 9.463 -2.666 6.440 134 H THR 20 HN THR 20 11.588 -1.179 4.839 135 HA THR 20 HA THR 20 10.268 -0.836 2.408 136 HB THR 20 HB THR 20 13.230 -0.738 3.072 137 HG1 THR 20 HG1 THR 20 11.933 0.639 4.304 138 1HG2 THR 20 HG21 THR 20 13.460 -0.475 0.821 139 2HG2 THR 20 HG22 THR 20 12.818 1.140 1.121 140 3HG2 THR 20 HG23 THR 20 11.741 -0.152 0.591 141 H GLU 21 HN GLU 21 12.639 -3.334 3.240 142 HA GLU 21 HA GLU 21 12.900 -4.382 0.540 143 1HB GLU 21 HB2 GLU 21 14.614 -4.676 2.270 144 2HB GLU 21 HB1 GLU 21 13.454 -5.472 3.332 145 1HG GLU 21 HG2 GLU 21 14.422 -7.354 2.437 146 2HG GLU 21 HG1 GLU 21 13.221 -7.078 1.179 147 H LYS 22 HN LYS 22 10.963 -5.264 3.413 148 HA LYS 22 HA LYS 22 9.768 -7.631 2.399 149 1HB LYS 22 HB1 LYS 22 8.960 -5.448 4.328 150 2HB LYS 22 HB2 LYS 22 7.884 -6.808 4.008 151 1HG LYS 22 HG1 LYS 22 9.782 -8.356 4.578 152 2HG LYS 22 HG2 LYS 22 10.717 -6.944 5.067 153 1HD LYS 22 HD2 LYS 22 7.973 -7.270 6.210 154 2HD LYS 22 HD1 LYS 22 9.254 -8.312 6.829 155 1HE LYS 22 HE1 LYS 22 10.617 -6.059 6.999 156 2HE LYS 22 HE2 LYS 22 9.005 -5.319 6.991 157 1HZ LYS 22 HZ1 LYS 22 10.081 -7.361 8.853 158 2HZ LYS 22 HZ2 LYS 22 8.414 -7.084 8.692 159 3HZ LYS 22 HZ3 LYS 22 9.433 -5.838 9.232 160 H LEU 23 HN LEU 23 9.235 -4.266 1.625 161 HA LEU 23 HA LEU 23 6.634 -4.673 0.341 162 1HB LEU 23 HB2 LEU 23 8.680 -2.439 0.055 163 2HB LEU 23 HB1 LEU 23 6.959 -2.336 -0.313 164 HG LEU 23 HG LEU 23 8.111 -2.899 2.435 165 1HD1 LEU 23 HD21 LEU 23 8.248 -0.671 2.740 166 2HD1 LEU 23 HD22 LEU 23 6.587 -0.460 2.186 167 3HD1 LEU 23 HD23 LEU 23 7.912 -0.460 1.022 168 1HD2 LEU 23 HD11 LEU 23 5.391 -2.914 1.260 169 2HD2 LEU 23 HD12 LEU 23 5.549 -2.086 2.809 170 3HD2 LEU 23 HD13 LEU 23 6.018 -3.780 2.663 171 H ASN 24 HN ASN 24 6.632 -5.994 -1.462 172 HA ASN 24 HA ASN 24 8.739 -6.723 -3.132 173 1HB ASN 24 HB1 ASN 24 6.157 -7.317 -2.977 174 2HB ASN 24 HB2 ASN 24 6.020 -6.133 -4.276 175 1HD2 ASN 24 HD22 ASN 24 5.380 -8.711 -4.988 176 2HD2 ASN 24 HD21 ASN 24 6.618 -9.413 -5.913 177 H GLU 25 HN GLU 25 9.305 -5.971 -5.346 178 HA GLU 25 HA GLU 25 10.062 -3.286 -5.555 179 1HB GLU 25 HB1 GLU 25 9.627 -5.608 -7.349 180 2HB GLU 25 HB2 GLU 25 9.634 -4.045 -8.166 181 1HG GLU 25 HG1 GLU 25 11.776 -4.640 -6.151 182 2HG GLU 25 HG2 GLU 25 11.901 -5.346 -7.763 183 H LYS 26 HN LYS 26 6.947 -4.761 -6.346 184 HA LYS 26 HA LYS 26 5.832 -2.466 -7.727 185 1HB LYS 26 HB2 LYS 26 4.798 -4.964 -6.370 186 2HB LYS 26 HB1 LYS 26 3.675 -3.764 -7.009 187 1HG LYS 26 HG2 LYS 26 5.002 -3.932 -9.204 188 2HG LYS 26 HG1 LYS 26 5.735 -5.382 -8.519 189 1HD LYS 26 HD2 LYS 26 2.796 -5.272 -8.275 190 2HD LYS 26 HD1 LYS 26 3.386 -5.358 -9.936 191 1HE LYS 26 HE2 LYS 26 4.517 -7.415 -9.543 192 2HE LYS 26 HE1 LYS 26 4.421 -7.221 -7.782 193 1HZ LYS 26 HZ1 LYS 26 1.948 -7.195 -8.068 194 2HZ LYS 26 HZ2 LYS 26 2.675 -8.689 -8.420 195 3HZ LYS 26 HZ3 LYS 26 2.180 -7.667 -9.683 196 H GLU 27 HN GLU 27 5.537 -3.714 -4.380 197 HA GLU 27 HA GLU 27 3.974 -1.475 -3.414 198 1HB GLU 27 HB2 GLU 27 5.773 -3.509 -2.036 199 2HB GLU 27 HB1 GLU 27 4.607 -2.475 -1.209 200 1HG GLU 27 HG1 GLU 27 2.759 -3.513 -2.345 201 2HG GLU 27 HG2 GLU 27 3.840 -4.373 -3.442 202 H LYS 28 HN LYS 28 7.386 -2.124 -3.858 203 HA LYS 28 HA LYS 28 8.571 -0.183 -2.155 204 1HB LYS 28 HB1 LYS 28 9.192 -1.811 -4.501 205 2HB LYS 28 HB2 LYS 28 10.037 -0.265 -4.545 206 1HG LYS 28 HG1 LYS 28 10.445 -0.906 -1.959 207 2HG LYS 28 HG2 LYS 28 10.335 -2.532 -2.634 208 1HD LYS 28 HD1 LYS 28 12.233 -2.269 -3.927 209 2HD LYS 28 HD2 LYS 28 12.014 -0.525 -4.082 210 1HE LYS 28 HE1 LYS 28 12.389 -1.229 -1.303 211 2HE LYS 28 HE2 LYS 28 13.735 -1.847 -2.280 212 1HZ LYS 28 HZ1 LYS 28 12.623 0.895 -2.561 213 2HZ LYS 28 HZ2 LYS 28 14.051 0.285 -3.250 214 3HZ LYS 28 HZ3 LYS 28 13.958 0.537 -1.573 215 H GLU 29 HN GLU 29 7.779 0.144 -5.640 216 HA GLU 29 HA GLU 29 8.213 2.974 -5.771 217 1HB GLU 29 HB1 GLU 29 8.169 1.461 -7.710 218 2HB GLU 29 HB2 GLU 29 6.479 1.070 -7.392 219 1HG GLU 29 HG2 GLU 29 7.185 3.955 -7.693 220 2HG GLU 29 HG1 GLU 29 7.189 2.966 -9.153 221 H LEU 30 HN LEU 30 5.263 1.027 -5.255 222 HA LEU 30 HA LEU 30 3.344 3.103 -5.221 223 1HB LEU 30 HB2 LEU 30 2.827 0.706 -5.187 224 2HB LEU 30 HB1 LEU 30 3.609 0.526 -3.622 225 HG LEU 30 HG LEU 30 1.028 0.664 -3.665 226 1HD1 LEU 30 HD21 LEU 30 2.819 1.190 -1.740 227 2HD1 LEU 30 HD22 LEU 30 1.083 1.366 -1.485 228 3HD1 LEU 30 HD23 LEU 30 2.068 2.781 -1.853 229 1HD2 LEU 30 HD11 LEU 30 1.389 3.636 -3.634 230 2HD2 LEU 30 HD12 LEU 30 -0.043 2.684 -4.025 231 3HD2 LEU 30 HD13 LEU 30 1.272 2.819 -5.193 232 H CYS 31 HN CYS 31 5.570 1.983 -2.686 233 HA CYS 31 HA CYS 31 4.470 3.747 -0.630 234 1HB CYS 31 HB1 CYS 31 6.868 1.955 -1.006 235 2HB CYS 31 HB2 CYS 31 6.775 3.012 0.401 236 HG CYS 31 HG CYS 31 4.533 1.801 1.077 237 H GLN 32 HN GLN 32 7.391 3.782 -2.699 238 HA GLN 32 HA GLN 32 8.574 6.152 -1.696 239 1HB GLN 32 HB1 GLN 32 8.499 4.770 -4.388 240 2HB GLN 32 HB2 GLN 32 9.496 6.200 -4.115 241 1HG GLN 32 HG2 GLN 32 10.833 5.106 -2.505 242 2HG GLN 32 HG1 GLN 32 9.636 3.840 -2.242 243 1HE2 GLN 32 HE22 GLN 32 12.213 2.986 -2.822 244 2HE2 GLN 32 HE21 GLN 32 12.296 2.382 -4.406 245 H VAL 33 HN VAL 33 5.798 5.711 -3.796 246 HA VAL 33 HA VAL 33 5.724 8.524 -4.665 247 HB VAL 33 HB VAL 33 3.774 6.192 -4.832 248 1HG1 VAL 33 HG11 VAL 33 3.734 8.910 -6.182 249 2HG1 VAL 33 HG12 VAL 33 2.583 8.328 -4.978 250 3HG1 VAL 33 HG13 VAL 33 2.650 7.575 -6.571 251 1HG2 VAL 33 HG21 VAL 33 4.773 5.624 -6.809 252 2HG2 VAL 33 HG22 VAL 33 6.164 6.443 -6.100 253 3HG2 VAL 33 HG23 VAL 33 5.119 7.301 -7.231 254 H VAL 34 HN VAL 34 3.646 6.407 -2.657 255 HA VAL 34 HA VAL 34 2.432 8.776 -1.364 256 HB VAL 34 HB VAL 34 1.107 6.787 -2.092 257 1HG1 VAL 34 HG11 VAL 34 3.256 5.367 -0.978 258 2HG1 VAL 34 HG12 VAL 34 1.771 4.688 -1.645 259 3HG1 VAL 34 HG13 VAL 34 1.884 5.035 0.080 260 1HG2 VAL 34 HG21 VAL 34 0.965 6.632 0.874 261 2HG2 VAL 34 HG22 VAL 34 -0.319 6.910 -0.304 262 3HG2 VAL 34 HG23 VAL 34 0.762 8.228 0.152 263 H ARG 35 HN ARG 35 4.619 9.369 -0.500 264 HA ARG 35 HA ARG 35 6.442 8.227 1.062 265 1HB ARG 35 HB2 ARG 35 6.422 10.313 2.441 266 2HB ARG 35 HB1 ARG 35 6.231 10.631 0.715 267 1HG ARG 35 HG2 ARG 35 3.646 10.158 1.675 268 2HG ARG 35 HG1 ARG 35 4.398 11.195 2.888 269 1HD ARG 35 HD2 ARG 35 5.239 12.473 0.660 270 2HD ARG 35 HD1 ARG 35 3.720 11.794 0.045 271 HE ARG 35 HE ARG 35 3.965 13.852 2.103 272 1HH1 ARG 35 HH22 ARG 35 2.051 11.198 0.917 273 2HH1 ARG 35 HH21 ARG 35 0.590 11.789 1.630 274 1HH2 ARG 35 HH12 ARG 35 2.056 14.599 3.019 275 2HH2 ARG 35 HH11 ARG 35 0.591 13.700 2.811 276 H LEU 36 HN LEU 36 5.869 6.330 2.197 277 HA LEU 36 HA LEU 36 4.637 6.809 4.856 278 1HB LEU 36 HB2 LEU 36 3.341 5.540 2.568 279 2HB LEU 36 HB1 LEU 36 3.444 4.434 3.936 280 HG LEU 36 HG LEU 36 2.664 6.655 5.246 281 1HD1 LEU 36 HD11 LEU 36 0.773 7.061 3.090 282 2HD1 LEU 36 HD12 LEU 36 2.414 7.395 2.541 283 3HD1 LEU 36 HD13 LEU 36 1.761 8.251 3.937 284 1HD2 LEU 36 HD21 LEU 36 0.228 5.693 4.460 285 2HD2 LEU 36 HD22 LEU 36 1.244 4.929 5.682 286 3HD2 LEU 36 HD23 LEU 36 1.283 4.351 4.016 287 H VAL 37 HN VAL 37 6.138 5.906 6.221 288 HA VAL 37 HA VAL 37 8.234 4.181 5.599 289 HB VAL 37 HB VAL 37 8.063 3.551 8.069 290 1HG1 VAL 37 HG21 VAL 37 8.422 6.157 6.822 291 2HG1 VAL 37 HG22 VAL 37 9.362 5.393 8.103 292 3HG1 VAL 37 HG23 VAL 37 7.906 6.303 8.502 293 1HG2 VAL 37 HG11 VAL 37 5.925 3.626 8.838 294 2HG2 VAL 37 HG12 VAL 37 5.429 4.854 7.678 295 3HG2 VAL 37 HG13 VAL 37 6.313 5.320 9.125 296 HA PRO 38 HA PRO 38 6.724 0.209 4.641 297 1HB PRO 38 HB1 PRO 38 8.624 -0.928 6.642 298 2HB PRO 38 HB2 PRO 38 8.484 -1.261 4.908 299 1HG PRO 38 HG2 PRO 38 10.473 0.219 5.892 300 2HG PRO 38 HG1 PRO 38 9.737 0.576 4.322 301 1HD PRO 38 HD1 PRO 38 9.405 1.969 6.934 302 2HD PRO 38 HD2 PRO 38 9.414 2.636 5.285 303 H GLY 39 HN GLY 39 7.632 -0.108 8.102 304 1HA GLY 39 HA1 GLY 39 5.673 -1.919 8.880 305 2HA GLY 39 HA2 GLY 39 6.305 -0.685 9.966 306 H ALA 40 HN ALA 40 5.311 1.573 8.470 307 HA ALA 40 HA ALA 40 2.644 1.799 9.535 308 1HB ALA 40 HB1 ALA 40 2.704 3.862 7.997 309 2HB ALA 40 HB2 ALA 40 4.302 3.309 7.493 310 3HB ALA 40 HB3 ALA 40 4.012 3.749 9.176 311 H TYR 41 HN TYR 41 3.836 1.520 6.175 312 HA TYR 41 HA TYR 41 1.269 1.192 4.940 313 1HB TYR 41 HB2 TYR 41 3.448 1.794 3.862 314 2HB TYR 41 HB1 TYR 41 4.017 0.152 4.146 315 HD1 TYR 41 HD1 TYR 41 3.602 -1.520 2.558 316 HD2 TYR 41 HD2 TYR 41 1.205 2.044 2.551 317 HE1 TYR 41 HE1 TYR 41 2.498 -2.267 0.466 318 HE2 TYR 41 HE2 TYR 41 0.101 1.298 0.459 319 HH TYR 41 HH TYR 41 1.270 -0.938 -1.538 320 H LEU 42 HN LEU 42 3.669 -1.153 6.171 321 HA LEU 42 HA LEU 42 2.526 -3.586 5.376 322 1HB LEU 42 HB2 LEU 42 4.227 -2.518 7.526 323 2HB LEU 42 HB1 LEU 42 3.354 -3.966 8.006 324 HG LEU 42 HG LEU 42 4.198 -5.152 6.023 325 1HD1 LEU 42 HD11 LEU 42 4.735 -3.811 4.283 326 2HD1 LEU 42 HD12 LEU 42 6.283 -3.590 5.100 327 3HD1 LEU 42 HD13 LEU 42 4.986 -2.419 5.334 328 1HD2 LEU 42 HD21 LEU 42 6.149 -3.815 7.894 329 2HD2 LEU 42 HD22 LEU 42 6.715 -4.944 6.662 330 3HD2 LEU 42 HD23 LEU 42 5.584 -5.486 7.901 331 H GLU 43 HN GLU 43 1.556 -1.422 8.014 332 HA GLU 43 HA GLU 43 -0.446 -3.205 9.133 333 1HB GLU 43 HB2 GLU 43 0.847 -1.019 9.983 334 2HB GLU 43 HB1 GLU 43 -0.587 -0.217 9.343 335 1HG GLU 43 HG2 GLU 43 -1.432 -0.674 11.419 336 2HG GLU 43 HG1 GLU 43 -1.751 -2.256 10.707 337 H TYR 44 HN TYR 44 -0.856 -0.109 7.368 338 HA TYR 44 HA TYR 44 -3.593 -0.264 6.824 339 1HB TYR 44 HB1 TYR 44 -1.282 0.751 5.128 340 2HB TYR 44 HB2 TYR 44 -2.969 1.189 4.862 341 HD1 TYR 44 HD1 TYR 44 -0.014 2.262 6.361 342 HD2 TYR 44 HD2 TYR 44 -4.217 1.902 7.177 343 HE1 TYR 44 HE1 TYR 44 0.171 4.026 8.095 344 HE2 TYR 44 HE2 TYR 44 -4.031 3.666 8.910 345 HH TYR 44 HH TYR 44 -1.277 5.651 9.223 346 H LYS 45 HN LYS 45 -0.960 -1.452 4.689 347 HA LYS 45 HA LYS 45 -2.452 -2.602 2.629 348 1HB LYS 45 HB1 LYS 45 0.164 -2.526 3.459 349 2HB LYS 45 HB2 LYS 45 -0.215 -4.236 3.669 350 1HG LYS 45 HG1 LYS 45 -1.195 -3.042 1.148 351 2HG LYS 45 HG2 LYS 45 0.561 -3.125 1.296 352 1HD LYS 45 HD2 LYS 45 0.499 -5.498 1.669 353 2HD LYS 45 HD1 LYS 45 -1.255 -5.484 1.848 354 1HE LYS 45 HE1 LYS 45 -1.411 -5.887 -0.381 355 2HE LYS 45 HE2 LYS 45 -0.707 -4.285 -0.667 356 1HZ LYS 45 HZ1 LYS 45 1.504 -5.323 -0.244 357 2HZ LYS 45 HZ2 LYS 45 0.738 -5.897 -1.647 358 3HZ LYS 45 HZ3 LYS 45 0.747 -6.843 -0.237 359 H SER 46 HN SER 46 -1.599 -4.088 5.768 360 HA SER 46 HA SER 46 -2.942 -6.587 5.272 361 1HB SER 46 HB1 SER 46 -1.538 -5.153 7.396 362 2HB SER 46 HB2 SER 46 -2.880 -6.103 8.033 363 HG SER 46 HG SER 46 -1.051 -7.391 7.908 364 H ALA 47 HN ALA 47 -4.225 -3.460 5.804 365 HA ALA 47 HA ALA 47 -6.634 -4.387 7.247 366 1HB ALA 47 HB1 ALA 47 -6.284 -1.702 5.931 367 2HB ALA 47 HB2 ALA 47 -5.293 -2.097 7.335 368 3HB ALA 47 HB3 ALA 47 -7.051 -2.088 7.471 369 H LEU 48 HN LEU 48 -5.741 -3.115 4.046 370 HA LEU 48 HA LEU 48 -8.337 -3.284 2.848 371 1HB LEU 48 HB2 LEU 48 -5.610 -3.678 1.552 372 2HB LEU 48 HB1 LEU 48 -7.070 -3.100 0.765 373 HG LEU 48 HG LEU 48 -6.179 -1.046 1.120 374 1HD1 LEU 48 HD11 LEU 48 -6.669 -1.274 4.070 375 2HD1 LEU 48 HD12 LEU 48 -8.031 -1.344 2.953 376 3HD1 LEU 48 HD13 LEU 48 -6.991 0.080 2.989 377 1HD2 LEU 48 HD21 LEU 48 -4.016 -1.294 1.688 378 2HD2 LEU 48 HD22 LEU 48 -4.367 -2.577 2.844 379 3HD2 LEU 48 HD23 LEU 48 -4.567 -0.888 3.312 380 H LEU 49 HN LEU 49 -5.699 -5.615 3.258 381 HA LEU 49 HA LEU 49 -6.834 -7.702 1.615 382 1HB LEU 49 HB2 LEU 49 -4.661 -7.286 3.599 383 2HB LEU 49 HB1 LEU 49 -5.223 -8.950 3.441 384 HG LEU 49 HG LEU 49 -3.363 -8.466 1.877 385 1HD1 LEU 49 HD21 LEU 49 -5.835 -8.682 0.183 386 2HD1 LEU 49 HD22 LEU 49 -5.470 -9.951 1.352 387 3HD1 LEU 49 HD23 LEU 49 -4.323 -9.582 0.065 388 1HD2 LEU 49 HD11 LEU 49 -5.300 -6.488 0.638 389 2HD2 LEU 49 HD12 LEU 49 -3.680 -6.871 0.055 390 3HD2 LEU 49 HD13 LEU 49 -3.888 -6.042 1.598 391 H ASN 50 HN ASN 50 -6.769 -7.199 5.167 392 HA ASN 50 HA ASN 50 -8.361 -9.471 5.842 393 1HB ASN 50 HB2 ASN 50 -6.915 -7.594 7.154 394 2HB ASN 50 HB1 ASN 50 -8.536 -6.968 7.456 395 1HD2 ASN 50 HD21 ASN 50 -7.600 -7.728 9.770 396 2HD2 ASN 50 HD22 ASN 50 -8.054 -9.298 10.230 397 H GLU 51 HN GLU 51 -9.309 -6.047 5.340 398 HA GLU 51 HA GLU 51 -12.082 -6.358 5.906 399 1HB GLU 51 HB2 GLU 51 -10.343 -4.345 5.229 400 2HB GLU 51 HB1 GLU 51 -11.317 -4.471 3.764 401 1HG GLU 51 HG2 GLU 51 -12.775 -3.137 4.891 402 2HG GLU 51 HG1 GLU 51 -13.241 -4.627 5.706 403 H CYS 52 HN CYS 52 -10.395 -6.440 2.739 404 HA CYS 52 HA CYS 52 -12.689 -7.005 1.150 405 1HB CYS 52 HB1 CYS 52 -10.460 -6.263 0.341 406 2HB CYS 52 HB2 CYS 52 -9.779 -7.822 0.804 407 HG CYS 52 HG CYS 52 -12.089 -7.739 -1.293 408 H HIS 53 HN HIS 53 -10.592 -9.120 3.056 409 HA HIS 53 HA HIS 53 -11.601 -11.605 1.933 410 1HB HIS 53 HB2 HIS 53 -9.544 -10.703 3.633 411 2HB HIS 53 HB1 HIS 53 -10.542 -11.747 4.644 412 HD1 HIS 53 HD1 HIS 53 -7.815 -11.926 2.328 413 HD2 HIS 53 HD2 HIS 53 -11.111 -14.348 3.132 414 HE1 HIS 53 HE1 HIS 53 -7.284 -14.204 1.356 415 H LYS 54 HN LYS 54 -12.489 -9.535 4.663 416 HA LYS 54 HA LYS 54 -14.360 -11.477 5.801 417 1HB LYS 54 HB2 LYS 54 -13.051 -9.059 6.516 418 2HB LYS 54 HB1 LYS 54 -14.780 -8.731 6.602 419 1HG LYS 54 HG2 LYS 54 -14.000 -9.587 8.758 420 2HG LYS 54 HG1 LYS 54 -15.069 -10.769 8.004 421 1HD LYS 54 HD2 LYS 54 -13.161 -11.975 8.841 422 2HD LYS 54 HD1 LYS 54 -12.993 -11.907 7.089 423 1HE LYS 54 HE2 LYS 54 -11.535 -9.859 7.406 424 2HE LYS 54 HE1 LYS 54 -11.557 -10.199 9.144 425 1HZ LYS 54 HZ1 LYS 54 -10.770 -12.136 7.025 426 2HZ LYS 54 HZ2 LYS 54 -10.742 -12.419 8.699 427 3HZ LYS 54 HZ3 LYS 54 -9.679 -11.287 8.011 428 H GLN 55 HN GLN 55 -15.023 -8.135 4.712 429 HA GLN 55 HA GLN 55 -17.794 -8.557 4.228 430 1HB GLN 55 HB1 GLN 55 -15.765 -6.601 3.090 431 2HB GLN 55 HB2 GLN 55 -17.510 -6.418 2.907 432 1HG GLN 55 HG2 GLN 55 -16.097 -6.651 5.581 433 2HG GLN 55 HG1 GLN 55 -16.566 -5.119 4.841 434 1HE2 GLN 55 HE21 GLN 55 -19.099 -5.694 3.818 435 2HE2 GLN 55 HE22 GLN 55 -20.152 -6.128 5.077 436 H GLY 56 HN GLY 56 -15.155 -8.294 1.802 437 1HA GLY 56 HA1 GLY 56 -15.283 -10.311 0.147 438 2HA GLY 56 HA2 GLY 56 -16.924 -9.726 -0.126 439 H GLY 57 HN GLY 57 -17.089 -7.403 -0.859 440 1HA GLY 57 HA1 GLY 57 -14.841 -6.807 -2.728 441 2HA GLY 57 HA2 GLY 57 -16.507 -6.273 -2.955 442 H LEU 58 HN LEU 58 -13.844 -4.784 -2.675 443 HA LEU 58 HA LEU 58 -14.703 -2.952 -0.457 444 1HB LEU 58 HB1 LEU 58 -12.540 -4.419 -0.318 445 2HB LEU 58 HB2 LEU 58 -11.880 -3.281 -1.491 446 HG LEU 58 HG LEU 58 -11.328 -2.615 0.830 447 1HD1 LEU 58 HD21 LEU 58 -11.899 -0.317 0.599 448 2HD1 LEU 58 HD22 LEU 58 -13.388 -0.696 -0.268 449 3HD1 LEU 58 HD23 LEU 58 -11.825 -0.939 -1.050 450 1HD2 LEU 58 HD11 LEU 58 -12.849 -2.774 2.476 451 2HD2 LEU 58 HD12 LEU 58 -14.011 -3.395 1.304 452 3HD2 LEU 58 HD13 LEU 58 -13.924 -1.663 1.628 453 H ARG 59 HN ARG 59 -15.810 -1.419 -1.744 454 HA ARG 59 HA ARG 59 -15.011 -0.482 -4.313 455 1HB ARG 59 HB1 ARG 59 -17.165 -0.169 -2.804 456 2HB ARG 59 HB2 ARG 59 -16.322 1.278 -2.251 457 1HG ARG 59 HG2 ARG 59 -16.242 2.198 -4.447 458 2HG ARG 59 HG1 ARG 59 -16.690 0.660 -5.187 459 1HD ARG 59 HD1 ARG 59 -18.805 1.123 -3.457 460 2HD ARG 59 HD2 ARG 59 -18.421 2.748 -4.057 461 HE ARG 59 HE ARG 59 -18.410 0.706 -6.151 462 1HH1 ARG 59 HH21 ARG 59 -20.347 2.950 -4.325 463 2HH1 ARG 59 HH22 ARG 59 -21.562 3.067 -5.550 464 1HH2 ARG 59 HH12 ARG 59 -20.000 0.876 -7.726 465 2HH2 ARG 59 HH11 ARG 59 -21.369 1.903 -7.461 466 H LEU 60 HN LEU 60 -13.897 1.522 -4.866 467 HA LEU 60 HA LEU 60 -11.557 2.038 -3.235 468 1HB LEU 60 HB2 LEU 60 -11.711 2.124 -5.740 469 2HB LEU 60 HB1 LEU 60 -12.724 3.557 -5.596 470 HG LEU 60 HG LEU 60 -10.930 4.818 -4.593 471 1HD1 LEU 60 HD11 LEU 60 -8.633 3.305 -4.657 472 2HD1 LEU 60 HD12 LEU 60 -9.826 2.128 -4.106 473 3HD1 LEU 60 HD13 LEU 60 -9.581 3.628 -3.204 474 1HD2 LEU 60 HD21 LEU 60 -9.604 5.062 -6.475 475 2HD2 LEU 60 HD22 LEU 60 -10.928 4.119 -7.159 476 3HD2 LEU 60 HD23 LEU 60 -9.422 3.321 -6.700 477 H ALA 61 HN ALA 61 -14.678 3.646 -3.682 478 HA ALA 61 HA ALA 61 -14.014 6.125 -2.373 479 1HB ALA 61 HB1 ALA 61 -16.492 6.289 -2.204 480 2HB ALA 61 HB2 ALA 61 -16.626 4.579 -2.613 481 3HB ALA 61 HB3 ALA 61 -16.003 5.723 -3.801 482 H GLN 62 HN GLN 62 -15.731 3.219 -1.148 483 HA GLN 62 HA GLN 62 -15.885 3.941 1.583 484 1HB GLN 62 HB2 GLN 62 -15.736 1.414 -0.036 485 2HB GLN 62 HB1 GLN 62 -15.631 1.283 1.719 486 1HG GLN 62 HG1 GLN 62 -17.973 1.086 0.926 487 2HG GLN 62 HG2 GLN 62 -17.754 2.503 1.952 488 1HE2 GLN 62 HE22 GLN 62 -18.727 4.337 1.089 489 2HE2 GLN 62 HE21 GLN 62 -18.920 4.657 -0.567 490 H ALA 63 HN ALA 63 -13.215 2.699 -0.336 491 HA ALA 63 HA ALA 63 -11.432 2.002 1.808 492 1HB ALA 63 HB1 ALA 63 -11.436 2.431 -1.112 493 2HB ALA 63 HB2 ALA 63 -10.627 1.179 -0.171 494 3HB ALA 63 HB3 ALA 63 -9.882 2.767 -0.349 495 H ARG 64 HN ARG 64 -11.867 4.971 -0.114 496 HA ARG 64 HA ARG 64 -9.768 6.532 0.948 497 1HB ARG 64 HB2 ARG 64 -12.399 6.911 -0.374 498 2HB ARG 64 HB1 ARG 64 -11.807 8.309 0.517 499 1HG ARG 64 HG1 ARG 64 -11.011 8.451 -1.764 500 2HG ARG 64 HG2 ARG 64 -9.649 8.136 -0.693 501 1HD ARG 64 HD1 ARG 64 -9.172 6.463 -2.122 502 2HD ARG 64 HD2 ARG 64 -10.492 5.586 -1.339 503 HE ARG 64 HE ARG 64 -11.817 6.001 -3.256 504 1HH1 ARG 64 HH21 ARG 64 -9.088 8.161 -3.149 505 2HH1 ARG 64 HH22 ARG 64 -9.423 8.837 -4.705 506 1HH2 ARG 64 HH12 ARG 64 -12.230 6.893 -5.272 507 2HH2 ARG 64 HH11 ARG 64 -11.188 8.126 -5.901 508 H ALA 65 HN ALA 65 -13.064 5.994 2.185 509 HA ALA 65 HA ALA 65 -12.546 7.704 4.543 510 1HB ALA 65 HB1 ALA 65 -14.965 6.480 4.912 511 2HB ALA 65 HB2 ALA 65 -14.799 6.366 3.161 512 3HB ALA 65 HB3 ALA 65 -14.748 7.943 3.950 513 H LEU 66 HN LEU 66 -11.692 4.578 3.780 514 HA LEU 66 HA LEU 66 -12.444 3.349 6.355 515 1HB LEU 66 HB1 LEU 66 -11.667 2.569 3.681 516 2HB LEU 66 HB2 LEU 66 -10.632 1.754 4.854 517 HG LEU 66 HG LEU 66 -13.665 1.798 4.939 518 1HD1 LEU 66 HD21 LEU 66 -12.446 0.443 3.091 519 2HD1 LEU 66 HD22 LEU 66 -13.629 -0.404 4.088 520 3HD1 LEU 66 HD23 LEU 66 -11.906 -0.594 4.411 521 1HD2 LEU 66 HD11 LEU 66 -12.460 -0.281 6.487 522 2HD2 LEU 66 HD12 LEU 66 -13.437 1.072 7.057 523 3HD2 LEU 66 HD13 LEU 66 -11.686 1.242 6.927 524 H ILE 67 HN ILE 67 -9.305 3.190 4.699 525 HA ILE 67 HA ILE 67 -7.947 3.406 7.323 526 HB ILE 67 HB ILE 67 -5.986 2.697 5.947 527 1HG1 ILE 67 HG11 ILE 67 -7.787 2.369 3.580 528 2HG1 ILE 67 HG12 ILE 67 -7.100 3.963 3.889 529 1HG2 ILE 67 HG21 ILE 67 -6.969 0.502 5.193 530 2HG2 ILE 67 HG22 ILE 67 -8.567 1.159 5.550 531 3HG2 ILE 67 HG23 ILE 67 -7.390 0.947 6.847 532 1HD1 ILE 67 HD11 ILE 67 -5.832 1.755 2.647 533 2HD1 ILE 67 HD12 ILE 67 -5.061 1.950 4.221 534 3HD1 ILE 67 HD13 ILE 67 -5.102 3.299 3.087 535 H LYS 68 HN LYS 68 -5.548 4.511 6.656 536 HA LYS 68 HA LYS 68 -4.496 6.621 6.550 537 1HB LYS 68 HB2 LYS 68 -6.360 6.408 4.191 538 2HB LYS 68 HB1 LYS 68 -5.320 7.816 4.377 539 1HG LYS 68 HG2 LYS 68 -4.352 4.940 4.361 540 2HG LYS 68 HG1 LYS 68 -4.258 6.043 2.986 541 1HD LYS 68 HD2 LYS 68 -2.302 6.814 3.796 542 2HD LYS 68 HD1 LYS 68 -3.169 7.434 5.201 543 1HE LYS 68 HE1 LYS 68 -2.975 5.078 6.193 544 2HE LYS 68 HE2 LYS 68 -1.818 4.737 4.891 545 1HZ LYS 68 HZ1 LYS 68 -0.493 5.601 6.587 546 2HZ LYS 68 HZ2 LYS 68 -1.645 6.763 7.042 547 3HZ LYS 68 HZ3 LYS 68 -0.769 6.954 5.599 548 H ILE 69 HN ILE 69 -5.527 9.133 5.726 549 HA ILE 69 HA ILE 69 -7.757 9.585 7.674 550 HB ILE 69 HB ILE 69 -6.356 11.764 8.142 551 1HG1 ILE 69 HG11 ILE 69 -3.935 11.468 7.888 552 2HG1 ILE 69 HG12 ILE 69 -4.190 9.913 7.098 553 1HG2 ILE 69 HG21 ILE 69 -5.103 9.213 9.107 554 2HG2 ILE 69 HG22 ILE 69 -6.744 9.647 9.585 555 3HG2 ILE 69 HG23 ILE 69 -5.395 10.706 9.997 556 1HD1 ILE 69 HD11 ILE 69 -3.848 12.139 5.686 557 2HD1 ILE 69 HD12 ILE 69 -5.578 12.302 5.973 558 3HD1 ILE 69 HD13 ILE 69 -4.952 10.876 5.144 559 H ASP 70 HN ASP 70 -6.671 10.109 4.491 560 HA ASP 70 HA ASP 70 -8.622 12.370 4.214 561 1HB ASP 70 HB1 ASP 70 -5.756 12.090 3.477 562 2HB ASP 70 HB2 ASP 70 -6.780 12.916 2.303 563 H VAL 71 HN VAL 71 -6.748 11.118 1.520 564 HA VAL 71 HA VAL 71 -8.654 9.174 0.594 565 HB VAL 71 HB VAL 71 -10.131 11.071 0.416 566 1HG1 VAL 71 HG21 VAL 71 -7.954 12.653 0.296 567 2HG1 VAL 71 HG22 VAL 71 -9.539 13.189 -0.255 568 3HG1 VAL 71 HG23 VAL 71 -8.353 12.601 -1.419 569 1HG2 VAL 71 HG11 VAL 71 -9.243 9.627 -1.864 570 2HG2 VAL 71 HG12 VAL 71 -9.540 11.285 -2.381 571 3HG2 VAL 71 HG13 VAL 71 -10.823 10.364 -1.598 572 H ASN 72 HN ASN 72 -6.437 11.762 -0.533 573 HA ASN 72 HA ASN 72 -5.491 10.375 -2.875 574 1HB ASN 72 HB1 ASN 72 -4.223 12.393 -0.979 575 2HB ASN 72 HB2 ASN 72 -3.546 11.955 -2.548 576 1HD2 ASN 72 HD21 ASN 72 -4.204 14.614 -2.277 577 2HD2 ASN 72 HD22 ASN 72 -5.630 14.977 -3.122 578 H LYS 73 HN LYS 73 -4.756 10.263 0.538 579 HA LYS 73 HA LYS 73 -2.375 8.651 0.464 580 1HB LYS 73 HB2 LYS 73 -4.536 9.464 2.380 581 2HB LYS 73 HB1 LYS 73 -3.499 8.127 2.858 582 1HG LYS 73 HG2 LYS 73 -2.649 10.335 3.647 583 2HG LYS 73 HG1 LYS 73 -1.511 9.509 2.585 584 1HD LYS 73 HD2 LYS 73 -1.619 11.825 1.898 585 2HD LYS 73 HD1 LYS 73 -2.433 10.864 0.668 586 1HE LYS 73 HE1 LYS 73 -3.949 12.647 1.036 587 2HE LYS 73 HE2 LYS 73 -4.600 11.382 2.095 588 1HZ LYS 73 HZ1 LYS 73 -2.712 13.555 2.856 589 2HZ LYS 73 HZ2 LYS 73 -3.158 12.275 3.878 590 3HZ LYS 73 HZ3 LYS 73 -4.325 13.396 3.364 591 H THR 74 HN THR 74 -5.819 7.832 1.021 592 HA THR 74 HA THR 74 -5.441 4.970 0.976 593 HB THR 74 HB THR 74 -7.840 6.760 0.412 594 HG1 THR 74 HG1 THR 74 -7.050 7.054 2.469 595 1HG2 THR 74 HG21 THR 74 -7.587 4.021 -0.039 596 2HG2 THR 74 HG22 THR 74 -9.102 4.901 0.154 597 3HG2 THR 74 HG23 THR 74 -8.353 4.119 1.546 598 H ARG 75 HN ARG 75 -6.516 7.330 -1.477 599 HA ARG 75 HA ARG 75 -7.145 5.675 -3.616 600 1HB ARG 75 HB1 ARG 75 -7.141 8.235 -3.358 601 2HB ARG 75 HB2 ARG 75 -5.443 8.174 -3.833 602 1HG ARG 75 HG1 ARG 75 -6.097 6.992 -5.921 603 2HG ARG 75 HG2 ARG 75 -7.791 7.140 -5.452 604 1HD ARG 75 HD2 ARG 75 -7.688 9.555 -5.572 605 2HD ARG 75 HD1 ARG 75 -5.928 9.517 -5.790 606 HE ARG 75 HE ARG 75 -7.914 8.966 -7.852 607 1HH1 ARG 75 HH21 ARG 75 -4.713 8.230 -6.699 608 2HH1 ARG 75 HH22 ARG 75 -4.136 7.771 -8.263 609 1HH2 ARG 75 HH11 ARG 75 -7.142 8.364 -9.872 610 2HH2 ARG 75 HH12 ARG 75 -5.499 7.845 -10.048 611 H LYS 76 HN LYS 76 -3.874 6.597 -2.510 612 HA LYS 76 HA LYS 76 -2.514 5.337 -4.734 613 1HB LYS 76 HB1 LYS 76 -1.871 6.483 -2.023 614 2HB LYS 76 HB2 LYS 76 -0.621 5.670 -2.942 615 1HG LYS 76 HG1 LYS 76 -0.840 7.212 -4.772 616 2HG LYS 76 HG2 LYS 76 -2.315 7.893 -4.092 617 1HD LYS 76 HD2 LYS 76 -0.780 8.438 -2.031 618 2HD LYS 76 HD1 LYS 76 0.529 8.265 -3.202 619 1HE LYS 76 HE1 LYS 76 -1.858 10.128 -3.490 620 2HE LYS 76 HE2 LYS 76 -0.196 10.615 -3.111 621 1HZ LYS 76 HZ1 LYS 76 -1.147 9.218 -5.557 622 2HZ LYS 76 HZ2 LYS 76 0.493 9.426 -5.169 623 3HZ LYS 76 HZ3 LYS 76 -0.488 10.781 -5.466 624 H ILE 77 HN ILE 77 -2.797 4.479 -1.265 625 HA ILE 77 HA ILE 77 -1.540 1.922 -1.481 626 HB ILE 77 HB ILE 77 -3.664 2.938 0.447 627 1HG1 ILE 77 HG12 ILE 77 -0.640 3.183 0.445 628 2HG1 ILE 77 HG11 ILE 77 -1.803 4.499 0.357 629 1HG2 ILE 77 HG21 ILE 77 -3.323 1.058 1.666 630 2HG2 ILE 77 HG22 ILE 77 -1.575 1.141 1.447 631 3HG2 ILE 77 HG23 ILE 77 -2.584 0.391 0.211 632 1HD1 ILE 77 HD11 ILE 77 -2.674 3.417 2.629 633 2HD1 ILE 77 HD12 ILE 77 -1.334 4.563 2.617 634 3HD1 ILE 77 HD13 ILE 77 -1.012 2.832 2.707 635 H TYR 78 HN TYR 78 -5.033 2.606 -1.061 636 HA TYR 78 HA TYR 78 -5.969 -0.002 -1.506 637 1HB TYR 78 HB2 TYR 78 -6.972 2.687 -1.307 638 2HB TYR 78 HB1 TYR 78 -7.821 1.858 -2.613 639 HD1 TYR 78 HD1 TYR 78 -7.617 2.304 0.919 640 HD2 TYR 78 HD2 TYR 78 -8.636 -0.580 -2.095 641 HE1 TYR 78 HE1 TYR 78 -8.931 1.026 2.588 642 HE2 TYR 78 HE2 TYR 78 -9.949 -1.860 -0.426 643 HH TYR 78 HH TYR 78 -10.796 -0.588 2.610 644 H ASP 79 HN ASP 79 -5.541 2.604 -3.983 645 HA ASP 79 HA ASP 79 -6.480 1.184 -6.224 646 1HB ASP 79 HB1 ASP 79 -5.796 3.522 -6.287 647 2HB ASP 79 HB2 ASP 79 -4.128 3.083 -5.921 648 H PHE 80 HN PHE 80 -3.319 0.945 -4.607 649 HA PHE 80 HA PHE 80 -2.034 -0.746 -6.513 650 1HB PHE 80 HB2 PHE 80 -0.972 0.449 -4.599 651 2HB PHE 80 HB1 PHE 80 -1.786 -0.646 -3.483 652 HD1 PHE 80 HD1 PHE 80 0.827 -0.352 -6.068 653 HD2 PHE 80 HD2 PHE 80 -1.099 -2.970 -3.260 654 HE1 PHE 80 HE1 PHE 80 2.654 -2.004 -6.357 655 HE2 PHE 80 HE2 PHE 80 0.728 -4.622 -3.549 656 HZ PHE 80 HZ PHE 80 2.604 -4.139 -5.097 657 H LEU 81 HN LEU 81 -3.751 -1.677 -3.479 658 HA LEU 81 HA LEU 81 -3.653 -4.501 -4.017 659 1HB LEU 81 HB2 LEU 81 -5.674 -2.904 -2.400 660 2HB LEU 81 HB1 LEU 81 -5.269 -4.604 -2.181 661 HG LEU 81 HG LEU 81 -2.839 -3.094 -2.108 662 1HD1 LEU 81 HD21 LEU 81 -3.221 -1.557 -0.314 663 2HD1 LEU 81 HD22 LEU 81 -4.859 -2.159 -0.058 664 3HD1 LEU 81 HD23 LEU 81 -4.476 -1.232 -1.508 665 1HD2 LEU 81 HD11 LEU 81 -4.411 -4.512 0.066 666 2HD2 LEU 81 HD12 LEU 81 -2.701 -4.090 0.146 667 3HD2 LEU 81 HD13 LEU 81 -3.261 -5.278 -1.030 668 H ILE 82 HN ILE 82 -6.102 -2.024 -4.727 669 HA ILE 82 HA ILE 82 -8.185 -3.726 -5.670 670 HB ILE 82 HB ILE 82 -7.306 -0.906 -6.396 671 1HG1 ILE 82 HG11 ILE 82 -7.872 -1.451 -3.977 672 2HG1 ILE 82 HG12 ILE 82 -8.827 -0.164 -4.704 673 1HG2 ILE 82 HG21 ILE 82 -10.088 -1.137 -6.707 674 2HG2 ILE 82 HG22 ILE 82 -9.417 -2.566 -7.494 675 3HG2 ILE 82 HG23 ILE 82 -8.893 -0.958 -7.992 676 1HD1 ILE 82 HD11 ILE 82 -10.722 -1.307 -4.306 677 2HD1 ILE 82 HD12 ILE 82 -9.773 -2.541 -3.479 678 3HD1 ILE 82 HD13 ILE 82 -10.107 -2.697 -5.203 679 H ARG 83 HN ARG 83 -5.802 -1.860 -7.587 680 HA ARG 83 HA ARG 83 -6.476 -3.103 -10.083 681 1HB ARG 83 HB1 ARG 83 -4.323 -1.371 -8.942 682 2HB ARG 83 HB2 ARG 83 -4.027 -2.104 -10.511 683 1HG ARG 83 HG2 ARG 83 -5.069 0.132 -10.716 684 2HG ARG 83 HG1 ARG 83 -6.106 -1.136 -11.349 685 1HD ARG 83 HD1 ARG 83 -7.382 -1.162 -9.217 686 2HD ARG 83 HD2 ARG 83 -6.357 0.154 -8.609 687 HE ARG 83 HE ARG 83 -7.507 1.637 -10.055 688 1HH1 ARG 83 HH22 ARG 83 -8.059 -1.674 -10.974 689 2HH1 ARG 83 HH21 ARG 83 -9.239 -1.261 -12.169 690 1HH2 ARG 83 HH11 ARG 83 -9.041 2.149 -11.612 691 2HH2 ARG 83 HH12 ARG 83 -9.793 0.887 -12.530 692 H GLU 84 HN GLU 84 -4.567 -4.251 -7.434 693 HA GLU 84 HA GLU 84 -3.037 -6.120 -9.144 694 1HB GLU 84 HB2 GLU 84 -2.950 -5.213 -6.254 695 2HB GLU 84 HB1 GLU 84 -2.086 -6.656 -6.782 696 1HG GLU 84 HG1 GLU 84 -1.754 -4.040 -8.243 697 2HG GLU 84 HG2 GLU 84 -0.806 -4.394 -6.798 698 H GLY 85 HN GLY 85 -3.006 -8.357 -7.766 699 1HA GLY 85 HA2 GLY 85 -5.845 -9.151 -7.671 700 2HA GLY 85 HA1 GLY 85 -4.463 -10.218 -7.705 701 H TYR 86 HN TYR 86 -5.047 -7.496 -5.507 702 HA TYR 86 HA TYR 86 -4.654 -9.374 -3.225 703 1HB TYR 86 HB1 TYR 86 -4.335 -6.437 -3.772 704 2HB TYR 86 HB2 TYR 86 -4.558 -6.961 -2.103 705 HD1 TYR 86 HD1 TYR 86 -3.088 -9.103 -1.436 706 HD2 TYR 86 HD2 TYR 86 -2.159 -6.348 -4.599 707 HE1 TYR 86 HE1 TYR 86 -0.707 -9.788 -1.334 708 HE2 TYR 86 HE2 TYR 86 0.222 -7.035 -4.497 709 HH TYR 86 HH TYR 86 1.674 -8.293 -2.193 710 H ILE 87 HN ILE 87 -6.814 -6.674 -4.187 711 HA ILE 87 HA ILE 87 -8.985 -7.994 -2.601 712 HB ILE 87 HB ILE 87 -9.584 -5.768 -1.735 713 1HG1 ILE 87 HG11 ILE 87 -7.185 -4.804 -3.319 714 2HG1 ILE 87 HG12 ILE 87 -8.870 -4.457 -3.704 715 1HG2 ILE 87 HG21 ILE 87 -7.317 -7.234 -1.047 716 2HG2 ILE 87 HG22 ILE 87 -8.064 -5.965 -0.079 717 3HG2 ILE 87 HG23 ILE 87 -6.728 -5.574 -1.163 718 1HD1 ILE 87 HD11 ILE 87 -9.154 -3.241 -1.626 719 2HD1 ILE 87 HD12 ILE 87 -7.716 -2.613 -2.431 720 3HD1 ILE 87 HD13 ILE 87 -7.551 -3.725 -1.074 721 H THR 88 HN THR 88 -10.898 -5.927 -3.194 722 HA THR 88 HA THR 88 -10.979 -5.727 -6.153 723 HB THR 88 HB THR 88 -13.399 -6.791 -5.830 724 HG1 THR 88 HG1 THR 88 -11.928 -8.110 -3.814 725 1HG2 THR 88 HG21 THR 88 -12.473 -8.474 -7.017 726 2HG2 THR 88 HG22 THR 88 -11.485 -8.979 -5.646 727 3HG2 THR 88 HG23 THR 88 -10.912 -7.707 -6.725 728 H LYS 89 HN LYS 89 -13.215 -4.647 -6.747 729 HA LYS 89 HA LYS 89 -14.190 -2.828 -4.612 730 1HB LYS 89 HB1 LYS 89 -13.734 -0.884 -6.133 731 2HB LYS 89 HB2 LYS 89 -12.260 -1.710 -5.625 732 1HG LYS 89 HG1 LYS 89 -11.755 -1.935 -7.813 733 2HG LYS 89 HG2 LYS 89 -13.085 -3.090 -7.908 734 1HD LYS 89 HD2 LYS 89 -14.491 -0.792 -8.061 735 2HD LYS 89 HD1 LYS 89 -12.976 -0.248 -8.782 736 1HE LYS 89 HE2 LYS 89 -13.589 -2.831 -9.865 737 2HE LYS 89 HE1 LYS 89 -15.028 -1.805 -10.017 738 1HZ LYS 89 HZ1 LYS 89 -12.293 -0.851 -10.664 739 2HZ LYS 89 HZ2 LYS 89 -13.773 -0.117 -11.059 740 3HZ LYS 89 HZ3 LYS 89 -13.305 -1.556 -11.831 741 H ALA 90 HN ALA 90 -16.376 -3.238 -4.756 742 HA ALA 90 HA ALA 90 -17.699 -4.093 -7.178 743 1HB ALA 90 HB1 ALA 90 -19.700 -3.865 -5.760 744 2HB ALA 90 HB2 ALA 90 -18.794 -2.881 -4.611 745 3HB ALA 90 HB3 ALA 90 -18.391 -4.585 -4.823 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -23.027 17.251 -3.986 2 2H GLY 1 HT2 GLY 1 -22.075 15.927 -3.513 3 3H GLY 1 HT3 GLY 1 -21.350 17.436 -3.796 4 1HA GLY 1 HA2 GLY 1 -22.103 18.349 -1.848 5 2HA GLY 1 HA1 GLY 1 -23.442 17.206 -1.744 6 H SER 2 HN SER 2 -22.703 14.839 -1.504 7 HA SER 2 HA SER 2 -20.532 14.765 0.544 8 1HB SER 2 HB1 SER 2 -22.947 13.077 -0.153 9 2HB SER 2 HB2 SER 2 -21.712 12.490 0.961 10 HG SER 2 HG SER 2 -22.813 13.573 2.376 11 H ASN 3 HN ASN 3 -18.653 13.655 0.107 12 HA ASN 3 HA ASN 3 -18.101 12.654 -2.542 13 1HB ASN 3 HB2 ASN 3 -16.679 12.334 0.129 14 2HB ASN 3 HB1 ASN 3 -15.954 11.997 -1.443 15 1HD2 ASN 3 HD22 ASN 3 -16.344 14.030 -3.053 16 2HD2 ASN 3 HD21 ASN 3 -15.968 15.537 -2.369 17 H SER 4 HN SER 4 -16.673 10.281 -2.032 18 HA SER 4 HA SER 4 -18.654 8.373 -0.885 19 1HB SER 4 HB2 SER 4 -17.625 8.530 -3.731 20 2HB SER 4 HB1 SER 4 -18.321 7.049 -3.075 21 HG SER 4 HG SER 4 -19.728 8.713 -4.194 22 H GLY 5 HN GLY 5 -17.658 6.534 -0.029 23 1HA GLY 5 HA1 GLY 5 -14.683 6.405 -0.320 24 2HA GLY 5 HA2 GLY 5 -15.539 5.943 1.152 25 H ARG 6 HN ARG 6 -16.016 5.159 -2.312 26 HA ARG 6 HA ARG 6 -15.273 2.372 -1.960 27 1HB ARG 6 HB2 ARG 6 -17.720 3.092 -0.923 28 2HB ARG 6 HB1 ARG 6 -18.166 2.577 -2.550 29 1HG ARG 6 HG2 ARG 6 -17.002 0.436 -2.204 30 2HG ARG 6 HG1 ARG 6 -16.518 0.950 -0.588 31 1HD ARG 6 HD1 ARG 6 -18.456 -0.316 -0.143 32 2HD ARG 6 HD2 ARG 6 -19.119 1.326 -0.255 33 HE ARG 6 HE ARG 6 -19.025 0.264 -2.885 34 1HH1 ARG 6 HH22 ARG 6 -20.639 -0.330 0.141 35 2HH1 ARG 6 HH21 ARG 6 -22.048 -0.991 -0.614 36 1HH2 ARG 6 HH12 ARG 6 -20.865 -0.597 -3.842 37 2HH2 ARG 6 HH11 ARG 6 -22.177 -1.142 -2.851 38 H ARG 7 HN ARG 7 -15.651 1.139 -3.993 39 HA ARG 7 HA ARG 7 -16.617 2.626 -6.347 40 1HB ARG 7 HB2 ARG 7 -14.173 3.279 -5.705 41 2HB ARG 7 HB1 ARG 7 -13.748 1.677 -6.307 42 1HG ARG 7 HG2 ARG 7 -14.365 2.190 -8.496 43 2HG ARG 7 HG1 ARG 7 -15.473 3.465 -7.992 44 1HD ARG 7 HD1 ARG 7 -13.826 4.977 -8.367 45 2HD ARG 7 HD2 ARG 7 -12.872 4.209 -7.083 46 HE ARG 7 HE ARG 7 -11.609 3.149 -8.774 47 1HH1 ARG 7 HH22 ARG 7 -14.714 4.129 -10.007 48 2HH1 ARG 7 HH21 ARG 7 -14.355 3.623 -11.621 49 1HH2 ARG 7 HH12 ARG 7 -11.168 2.500 -10.878 50 2HH2 ARG 7 HH11 ARG 7 -12.364 2.707 -12.113 51 H SER 8 HN SER 8 -16.032 1.168 -8.393 52 HA SER 8 HA SER 8 -17.129 -1.477 -7.855 53 1HB SER 8 HB2 SER 8 -17.787 -0.447 -9.878 54 2HB SER 8 HB1 SER 8 -16.148 0.095 -10.239 55 HG SER 8 HG SER 8 -16.377 -1.627 -11.512 56 H ALA 9 HN ALA 9 -15.779 -2.986 -6.926 57 HA ALA 9 HA ALA 9 -13.433 -3.916 -8.365 58 1HB ALA 9 HB1 ALA 9 -11.944 -3.321 -6.298 59 2HB ALA 9 HB2 ALA 9 -13.207 -2.146 -5.929 60 3HB ALA 9 HB3 ALA 9 -12.320 -2.038 -7.449 61 HA PRO 10 HA PRO 10 -14.106 -7.639 -6.158 62 1HB PRO 10 HB2 PRO 10 -11.330 -7.592 -5.120 63 2HB PRO 10 HB1 PRO 10 -12.135 -8.830 -6.092 64 1HG PRO 10 HG1 PRO 10 -10.276 -7.134 -7.080 65 2HG PRO 10 HG2 PRO 10 -11.586 -7.806 -8.051 66 1HD PRO 10 HD2 PRO 10 -11.221 -5.079 -7.052 67 2HD PRO 10 HD1 PRO 10 -12.154 -5.664 -8.432 68 HA PRO 11 HA PRO 11 -14.733 -5.639 -2.157 69 1HB PRO 11 HB2 PRO 11 -16.732 -7.707 -1.640 70 2HB PRO 11 HB1 PRO 11 -16.979 -5.971 -1.887 71 1HG PRO 11 HG1 PRO 11 -17.748 -7.913 -3.653 72 2HG PRO 11 HG2 PRO 11 -17.426 -6.231 -4.090 73 1HD PRO 11 HD2 PRO 11 -15.737 -8.646 -4.496 74 2HD PRO 11 HD1 PRO 11 -15.898 -7.189 -5.498 75 H LEU 12 HN LEU 12 -12.528 -6.687 -1.673 76 HA LEU 12 HA LEU 12 -12.387 -9.362 -0.593 77 1HB LEU 12 HB1 LEU 12 -10.704 -7.035 -1.040 78 2HB LEU 12 HB2 LEU 12 -10.373 -7.729 0.545 79 HG LEU 12 HG LEU 12 -8.944 -8.773 -1.159 80 1HD1 LEU 12 HD11 LEU 12 -9.971 -10.103 0.779 81 2HD1 LEU 12 HD12 LEU 12 -9.359 -11.045 -0.579 82 3HD1 LEU 12 HD13 LEU 12 -11.090 -10.767 -0.410 83 1HD2 LEU 12 HD21 LEU 12 -10.098 -10.214 -2.899 84 2HD2 LEU 12 HD22 LEU 12 -10.260 -8.476 -3.142 85 3HD2 LEU 12 HD23 LEU 12 -11.600 -9.399 -2.464 86 H ASN 13 HN ASN 13 -11.181 -9.073 1.897 87 HA ASN 13 HA ASN 13 -13.405 -8.798 3.678 88 1HB ASN 13 HB1 ASN 13 -10.653 -9.574 3.696 89 2HB ASN 13 HB2 ASN 13 -10.880 -8.411 5.002 90 1HD2 ASN 13 HD22 ASN 13 -11.245 -11.695 4.186 91 2HD2 ASN 13 HD21 ASN 13 -12.278 -12.147 5.455 92 H LEU 14 HN LEU 14 -11.355 -6.437 2.240 93 HA LEU 14 HA LEU 14 -11.260 -4.412 4.231 94 1HB LEU 14 HB1 LEU 14 -10.290 -4.782 1.748 95 2HB LEU 14 HB2 LEU 14 -11.647 -3.731 1.343 96 HG LEU 14 HG LEU 14 -10.643 -2.397 3.478 97 1HD1 LEU 14 HD11 LEU 14 -8.730 -3.682 3.941 98 2HD1 LEU 14 HD12 LEU 14 -8.090 -2.392 2.922 99 3HD1 LEU 14 HD13 LEU 14 -8.406 -3.985 2.235 100 1HD2 LEU 14 HD21 LEU 14 -9.890 -0.805 1.917 101 2HD2 LEU 14 HD22 LEU 14 -11.090 -1.721 1.005 102 3HD2 LEU 14 HD23 LEU 14 -9.372 -2.040 0.770 103 H THR 15 HN THR 15 -13.724 -5.093 1.736 104 HA THR 15 HA THR 15 -15.384 -2.862 2.019 105 HB THR 15 HB THR 15 -15.666 -4.666 0.372 106 HG1 THR 15 HG1 THR 15 -17.776 -4.465 0.345 107 1HG2 THR 15 HG21 THR 15 -15.255 -6.357 2.485 108 2HG2 THR 15 HG22 THR 15 -15.908 -6.862 0.926 109 3HG2 THR 15 HG23 THR 15 -16.999 -6.501 2.265 110 H GLY 16 HN GLY 16 -15.578 -2.115 4.188 111 1HA GLY 16 HA2 GLY 16 -17.448 -2.207 5.879 112 2HA GLY 16 HA1 GLY 16 -17.119 -3.934 5.998 113 H LEU 17 HN LEU 17 -14.124 -3.186 5.745 114 HA LEU 17 HA LEU 17 -13.635 -3.096 8.606 115 1HB LEU 17 HB2 LEU 17 -12.082 -3.287 6.060 116 2HB LEU 17 HB1 LEU 17 -11.201 -2.816 7.505 117 HG LEU 17 HG LEU 17 -13.023 -5.233 7.397 118 1HD1 LEU 17 HD21 LEU 17 -10.027 -5.056 6.961 119 2HD1 LEU 17 HD22 LEU 17 -11.225 -5.576 5.777 120 3HD1 LEU 17 HD23 LEU 17 -10.915 -6.558 7.207 121 1HD2 LEU 17 HD11 LEU 17 -10.795 -4.390 9.265 122 2HD2 LEU 17 HD12 LEU 17 -11.746 -5.869 9.407 123 3HD2 LEU 17 HD13 LEU 17 -12.518 -4.299 9.621 124 HA PRO 18 HA PRO 18 -13.112 1.131 9.447 125 1HB PRO 18 HB1 PRO 18 -10.552 1.309 10.539 126 2HB PRO 18 HB2 PRO 18 -11.986 0.744 11.415 127 1HG PRO 18 HG2 PRO 18 -9.828 -0.831 10.081 128 2HG PRO 18 HG1 PRO 18 -10.656 -1.128 11.620 129 1HD PRO 18 HD2 PRO 18 -11.252 -2.498 9.397 130 2HD PRO 18 HD1 PRO 18 -12.501 -2.066 10.581 131 H GLY 19 HN GLY 19 -9.650 0.668 8.830 132 1HA GLY 19 HA1 GLY 19 -9.191 3.054 7.524 133 2HA GLY 19 HA2 GLY 19 -8.236 1.615 7.203 134 H THR 20 HN THR 20 -10.807 0.276 6.146 135 HA THR 20 HA THR 20 -10.441 0.460 3.419 136 HB THR 20 HB THR 20 -13.181 0.378 4.699 137 HG1 THR 20 HG1 THR 20 -12.728 -1.546 5.512 138 1HG2 THR 20 HG21 THR 20 -13.789 -0.409 2.682 139 2HG2 THR 20 HG22 THR 20 -12.603 -1.708 2.814 140 3HG2 THR 20 HG23 THR 20 -12.141 -0.160 2.105 141 H GLU 21 HN GLU 21 -12.314 2.734 5.413 142 HA GLU 21 HA GLU 21 -13.227 4.261 3.072 143 1HB GLU 21 HB2 GLU 21 -14.332 3.840 5.419 144 2HB GLU 21 HB1 GLU 21 -13.292 5.160 5.953 145 1HG GLU 21 HG1 GLU 21 -14.553 6.719 4.899 146 2HG GLU 21 HG2 GLU 21 -14.687 5.740 3.438 147 H LYS 22 HN LYS 22 -10.499 4.267 5.229 148 HA LYS 22 HA LYS 22 -9.772 7.070 4.685 149 1HB LYS 22 HB1 LYS 22 -8.339 4.760 6.053 150 2HB LYS 22 HB2 LYS 22 -7.829 6.447 6.111 151 1HG LYS 22 HG2 LYS 22 -10.512 6.541 6.854 152 2HG LYS 22 HG1 LYS 22 -9.909 5.085 7.646 153 1HD LYS 22 HD2 LYS 22 -9.316 6.656 9.236 154 2HD LYS 22 HD1 LYS 22 -7.864 6.693 8.235 155 1HE LYS 22 HE1 LYS 22 -8.238 8.911 7.924 156 2HE LYS 22 HE2 LYS 22 -9.697 8.477 7.012 157 1HZ LYS 22 HZ1 LYS 22 -10.943 8.375 9.047 158 2HZ LYS 22 HZ2 LYS 22 -10.162 9.882 8.987 159 3HZ LYS 22 HZ3 LYS 22 -9.550 8.648 9.980 160 H LEU 23 HN LEU 23 -9.085 3.875 3.424 161 HA LEU 23 HA LEU 23 -6.594 4.411 2.114 162 1HB LEU 23 HB1 LEU 23 -8.922 2.558 1.485 163 2HB LEU 23 HB2 LEU 23 -7.334 2.437 0.728 164 HG LEU 23 HG LEU 23 -7.844 2.277 3.714 165 1HD1 LEU 23 HD21 LEU 23 -8.168 0.058 3.477 166 2HD1 LEU 23 HD22 LEU 23 -6.741 -0.092 2.452 167 3HD1 LEU 23 HD23 LEU 23 -8.298 0.331 1.739 168 1HD2 LEU 23 HD11 LEU 23 -5.380 1.179 3.179 169 2HD2 LEU 23 HD12 LEU 23 -5.645 2.825 3.754 170 3HD2 LEU 23 HD13 LEU 23 -5.445 2.514 2.029 171 H ASN 24 HN ASN 24 -6.294 5.988 0.594 172 HA ASN 24 HA ASN 24 -8.188 7.556 -0.699 173 1HB ASN 24 HB1 ASN 24 -5.386 6.940 -0.857 174 2HB ASN 24 HB2 ASN 24 -6.016 7.078 -2.498 175 1HD2 ASN 24 HD22 ASN 24 -4.398 8.969 -0.525 176 2HD2 ASN 24 HD21 ASN 24 -5.189 10.457 -0.724 177 H GLU 25 HN GLU 25 -8.816 7.552 -3.054 178 HA GLU 25 HA GLU 25 -10.277 5.290 -3.843 179 1HB GLU 25 HB1 GLU 25 -9.102 7.711 -5.162 180 2HB GLU 25 HB2 GLU 25 -9.789 6.465 -6.204 181 1HG GLU 25 HG1 GLU 25 -11.431 7.209 -3.850 182 2HG GLU 25 HG2 GLU 25 -11.261 8.460 -5.082 183 H LYS 26 HN LYS 26 -6.870 6.035 -4.377 184 HA LYS 26 HA LYS 26 -6.487 3.783 -6.237 185 1HB LYS 26 HB1 LYS 26 -5.040 6.126 -5.194 186 2HB LYS 26 HB2 LYS 26 -4.008 4.709 -5.395 187 1HG LYS 26 HG2 LYS 26 -5.822 5.055 -7.653 188 2HG LYS 26 HG1 LYS 26 -4.799 6.471 -7.414 189 1HD LYS 26 HD2 LYS 26 -2.868 5.326 -7.898 190 2HD LYS 26 HD1 LYS 26 -3.466 3.820 -7.201 191 1HE LYS 26 HE2 LYS 26 -5.125 4.403 -9.444 192 2HE LYS 26 HE1 LYS 26 -3.441 4.600 -9.967 193 1HZ LYS 26 HZ1 LYS 26 -2.888 2.468 -9.215 194 2HZ LYS 26 HZ2 LYS 26 -4.392 2.244 -9.971 195 3HZ LYS 26 HZ3 LYS 26 -4.296 2.322 -8.277 196 H GLU 27 HN GLU 27 -5.871 4.545 -2.823 197 HA GLU 27 HA GLU 27 -4.372 2.106 -2.293 198 1HB GLU 27 HB2 GLU 27 -5.845 4.068 -0.493 199 2HB GLU 27 HB1 GLU 27 -4.666 2.875 0.054 200 1HG GLU 27 HG1 GLU 27 -2.973 3.939 -1.460 201 2HG GLU 27 HG2 GLU 27 -4.154 5.195 -1.832 202 H LYS 28 HN LYS 28 -7.765 3.129 -1.947 203 HA LYS 28 HA LYS 28 -8.820 0.988 -0.461 204 1HB LYS 28 HB2 LYS 28 -9.737 3.176 -1.875 205 2HB LYS 28 HB1 LYS 28 -10.402 1.833 -2.806 206 1HG LYS 28 HG1 LYS 28 -11.479 0.920 -0.843 207 2HG LYS 28 HG2 LYS 28 -10.664 2.082 0.204 208 1HD LYS 28 HD1 LYS 28 -12.084 3.431 -1.940 209 2HD LYS 28 HD2 LYS 28 -13.173 2.399 -1.012 210 1HE LYS 28 HE2 LYS 28 -13.005 3.714 0.854 211 2HE LYS 28 HE1 LYS 28 -11.266 3.976 0.621 212 1HZ LYS 28 HZ1 LYS 28 -12.648 5.988 0.196 213 2HZ LYS 28 HZ2 LYS 28 -13.382 5.168 -1.097 214 3HZ LYS 28 HZ3 LYS 28 -11.719 5.509 -1.142 215 H GLU 29 HN GLU 29 -8.366 1.179 -4.011 216 HA GLU 29 HA GLU 29 -9.182 -1.575 -4.468 217 1HB GLU 29 HB2 GLU 29 -8.437 0.797 -5.931 218 2HB GLU 29 HB1 GLU 29 -7.511 -0.570 -6.551 219 1HG GLU 29 HG1 GLU 29 -9.560 -1.853 -6.893 220 2HG GLU 29 HG2 GLU 29 -10.520 -0.566 -6.163 221 H LEU 30 HN LEU 30 -6.126 0.098 -3.865 222 HA LEU 30 HA LEU 30 -4.276 -1.918 -4.616 223 1HB LEU 30 HB2 LEU 30 -4.217 0.577 -3.495 224 2HB LEU 30 HB1 LEU 30 -3.796 -0.409 -2.095 225 HG LEU 30 HG LEU 30 -2.431 -0.870 -4.740 226 1HD1 LEU 30 HD21 LEU 30 -0.736 0.699 -3.121 227 2HD1 LEU 30 HD22 LEU 30 -2.290 1.534 -3.137 228 3HD1 LEU 30 HD23 LEU 30 -1.470 1.165 -4.655 229 1HD2 LEU 30 HD11 LEU 30 -0.650 -1.164 -2.633 230 2HD2 LEU 30 HD12 LEU 30 -1.530 -2.475 -3.421 231 3HD2 LEU 30 HD13 LEU 30 -2.175 -1.738 -1.954 232 H CYS 31 HN CYS 31 -6.197 -1.512 -1.654 233 HA CYS 31 HA CYS 31 -5.007 -3.857 -0.349 234 1HB CYS 31 HB2 CYS 31 -6.359 -1.559 0.411 235 2HB CYS 31 HB1 CYS 31 -7.588 -2.807 0.615 236 HG CYS 31 HG CYS 31 -5.640 -4.111 2.053 237 H GLN 32 HN GLN 32 -8.103 -3.044 -1.943 238 HA GLN 32 HA GLN 32 -9.485 -5.478 -1.523 239 1HB GLN 32 HB2 GLN 32 -9.404 -3.394 -3.712 240 2HB GLN 32 HB1 GLN 32 -10.499 -4.772 -3.824 241 1HG GLN 32 HG2 GLN 32 -11.589 -4.168 -1.761 242 2HG GLN 32 HG1 GLN 32 -10.373 -2.938 -1.416 243 1HE2 GLN 32 HE21 GLN 32 -12.094 -1.273 -1.383 244 2HE2 GLN 32 HE22 GLN 32 -12.774 -0.713 -2.834 245 H VAL 33 HN VAL 33 -7.171 -4.581 -4.087 246 HA VAL 33 HA VAL 33 -7.257 -7.126 -5.470 247 HB VAL 33 HB VAL 33 -5.114 -4.970 -5.269 248 1HG1 VAL 33 HG11 VAL 33 -4.699 -5.893 -7.678 249 2HG1 VAL 33 HG12 VAL 33 -5.548 -7.324 -7.093 250 3HG1 VAL 33 HG13 VAL 33 -4.063 -6.794 -6.302 251 1HG2 VAL 33 HG21 VAL 33 -6.188 -3.829 -7.008 252 2HG2 VAL 33 HG22 VAL 33 -7.551 -4.391 -6.040 253 3HG2 VAL 33 HG23 VAL 33 -7.099 -5.253 -7.511 254 H VAL 34 HN VAL 34 -4.869 -5.642 -3.259 255 HA VAL 34 HA VAL 34 -3.640 -8.249 -2.680 256 HB VAL 34 HB VAL 34 -3.243 -5.362 -1.829 257 1HG1 VAL 34 HG11 VAL 34 -0.947 -6.777 -1.160 258 2HG1 VAL 34 HG12 VAL 34 -2.264 -7.816 -0.616 259 3HG1 VAL 34 HG13 VAL 34 -2.153 -6.157 -0.034 260 1HG2 VAL 34 HG21 VAL 34 -2.141 -5.312 -3.795 261 2HG2 VAL 34 HG22 VAL 34 -2.263 -7.061 -3.983 262 3HG2 VAL 34 HG23 VAL 34 -0.943 -6.365 -3.043 263 H ARG 35 HN ARG 35 -5.886 -8.950 -1.849 264 HA ARG 35 HA ARG 35 -7.470 -8.131 0.150 265 1HB ARG 35 HB1 ARG 35 -7.596 -10.523 0.866 266 2HB ARG 35 HB2 ARG 35 -7.576 -10.335 -0.890 267 1HG ARG 35 HG2 ARG 35 -4.884 -10.406 -0.078 268 2HG ARG 35 HG1 ARG 35 -5.683 -11.707 0.806 269 1HD ARG 35 HD1 ARG 35 -6.578 -11.605 -1.973 270 2HD ARG 35 HD2 ARG 35 -4.823 -11.833 -1.854 271 HE ARG 35 HE ARG 35 -6.837 -13.752 -1.021 272 1HH1 ARG 35 HH22 ARG 35 -3.690 -12.461 -0.282 273 2HH1 ARG 35 HH21 ARG 35 -3.162 -13.906 0.508 274 1HH2 ARG 35 HH12 ARG 35 -6.129 -15.616 0.009 275 2HH2 ARG 35 HH11 ARG 35 -4.531 -15.681 0.673 276 H LEU 36 HN LEU 36 -6.601 -6.727 1.714 277 HA LEU 36 HA LEU 36 -5.160 -8.051 3.944 278 1HB LEU 36 HB1 LEU 36 -3.701 -6.895 2.006 279 2HB LEU 36 HB2 LEU 36 -4.063 -5.451 2.950 280 HG LEU 36 HG LEU 36 -3.266 -7.726 4.614 281 1HD1 LEU 36 HD21 LEU 36 -1.928 -7.982 2.399 282 2HD1 LEU 36 HD22 LEU 36 -1.026 -7.968 3.914 283 3HD1 LEU 36 HD23 LEU 36 -1.089 -6.518 2.912 284 1HD2 LEU 36 HD11 LEU 36 -1.951 -5.023 4.306 285 2HD2 LEU 36 HD12 LEU 36 -2.022 -6.045 5.743 286 3HD2 LEU 36 HD13 LEU 36 -3.475 -5.226 5.172 287 H VAL 37 HN VAL 37 -5.264 -6.774 5.916 288 HA VAL 37 HA VAL 37 -7.708 -5.310 6.285 289 HB VAL 37 HB VAL 37 -5.159 -5.751 7.871 290 1HG1 VAL 37 HG11 VAL 37 -5.785 -4.240 9.408 291 2HG1 VAL 37 HG12 VAL 37 -7.360 -5.018 9.555 292 3HG1 VAL 37 HG13 VAL 37 -7.114 -3.745 8.363 293 1HG2 VAL 37 HG21 VAL 37 -6.782 -7.170 9.224 294 2HG2 VAL 37 HG22 VAL 37 -6.438 -7.754 7.596 295 3HG2 VAL 37 HG23 VAL 37 -7.950 -6.910 7.928 296 HA PRO 38 HA PRO 38 -6.506 -1.292 4.861 297 1HB PRO 38 HB2 PRO 38 -8.187 -0.286 7.105 298 2HB PRO 38 HB1 PRO 38 -8.312 0.066 5.379 299 1HG PRO 38 HG2 PRO 38 -10.056 -1.525 6.612 300 2HG PRO 38 HG1 PRO 38 -9.526 -1.840 4.954 301 1HD PRO 38 HD2 PRO 38 -8.744 -3.207 7.484 302 2HD PRO 38 HD1 PRO 38 -8.969 -3.877 5.859 303 H GLY 39 HN GLY 39 -6.958 -1.237 8.425 304 1HA GLY 39 HA1 GLY 39 -4.927 0.613 9.015 305 2HA GLY 39 HA2 GLY 39 -5.456 -0.643 10.132 306 H ALA 40 HN ALA 40 -4.683 -2.900 8.542 307 HA ALA 40 HA ALA 40 -1.928 -3.188 9.268 308 1HB ALA 40 HB1 ALA 40 -3.569 -4.670 7.180 309 2HB ALA 40 HB2 ALA 40 -3.633 -5.000 8.911 310 3HB ALA 40 HB3 ALA 40 -2.142 -5.287 8.012 311 H TYR 41 HN TYR 41 -3.488 -2.655 6.094 312 HA TYR 41 HA TYR 41 -1.061 -2.427 4.575 313 1HB TYR 41 HB2 TYR 41 -3.241 -2.845 3.571 314 2HB TYR 41 HB1 TYR 41 -3.886 -1.350 4.243 315 HD1 TYR 41 HD1 TYR 41 -3.203 0.838 3.347 316 HD2 TYR 41 HD2 TYR 41 -1.780 -2.830 1.626 317 HE1 TYR 41 HE1 TYR 41 -2.442 2.078 1.339 318 HE2 TYR 41 HE2 TYR 41 -1.018 -1.591 -0.384 319 HH TYR 41 HH TYR 41 -1.864 1.743 -0.916 320 H LEU 42 HN LEU 42 -3.252 0.077 5.909 321 HA LEU 42 HA LEU 42 -1.827 2.389 5.194 322 1HB LEU 42 HB2 LEU 42 -3.503 1.564 7.576 323 2HB LEU 42 HB1 LEU 42 -2.871 3.205 7.442 324 HG LEU 42 HG LEU 42 -4.044 2.375 4.930 325 1HD1 LEU 42 HD21 LEU 42 -5.822 1.193 5.664 326 2HD1 LEU 42 HD22 LEU 42 -6.398 2.687 6.402 327 3HD1 LEU 42 HD23 LEU 42 -5.443 1.547 7.350 328 1HD2 LEU 42 HD11 LEU 42 -3.596 4.698 5.726 329 2HD2 LEU 42 HD12 LEU 42 -4.862 4.494 6.938 330 3HD2 LEU 42 HD13 LEU 42 -5.271 4.464 5.222 331 H GLU 43 HN GLU 43 -1.207 0.087 7.807 332 HA GLU 43 HA GLU 43 0.835 1.705 9.116 333 1HB GLU 43 HB1 GLU 43 -0.704 -0.331 9.886 334 2HB GLU 43 HB2 GLU 43 0.660 -1.288 9.308 335 1HG GLU 43 HG2 GLU 43 2.146 -0.331 10.870 336 2HG GLU 43 HG1 GLU 43 1.089 1.050 11.163 337 H TYR 44 HN TYR 44 1.049 -1.381 7.294 338 HA TYR 44 HA TYR 44 3.811 -1.571 6.973 339 1HB TYR 44 HB1 TYR 44 1.419 -2.246 5.260 340 2HB TYR 44 HB2 TYR 44 3.044 -2.612 4.682 341 HD1 TYR 44 HD1 TYR 44 0.362 -4.093 6.197 342 HD2 TYR 44 HD2 TYR 44 4.573 -3.540 6.843 343 HE1 TYR 44 HE1 TYR 44 0.410 -6.121 7.624 344 HE2 TYR 44 HE2 TYR 44 4.621 -5.568 8.269 345 HH TYR 44 HH TYR 44 1.716 -7.147 9.314 346 H LYS 45 HN LYS 45 1.621 -0.075 4.557 347 HA LYS 45 HA LYS 45 3.531 1.084 2.864 348 1HB LYS 45 HB2 LYS 45 0.756 1.145 3.318 349 2HB LYS 45 HB1 LYS 45 1.256 2.833 3.409 350 1HG LYS 45 HG2 LYS 45 2.623 2.237 1.235 351 2HG LYS 45 HG1 LYS 45 1.454 0.921 1.099 352 1HD LYS 45 HD1 LYS 45 0.173 2.497 0.056 353 2HD LYS 45 HD2 LYS 45 -0.187 3.017 1.703 354 1HE LYS 45 HE1 LYS 45 2.015 4.437 1.439 355 2HE LYS 45 HE2 LYS 45 1.702 4.244 -0.292 356 1HZ LYS 45 HZ1 LYS 45 0.475 6.134 0.376 357 2HZ LYS 45 HZ2 LYS 45 -0.098 5.373 1.781 358 3HZ LYS 45 HZ3 LYS 45 -0.666 4.882 0.258 359 H SER 46 HN SER 46 2.167 2.412 5.893 360 HA SER 46 HA SER 46 3.427 4.949 5.883 361 1HB SER 46 HB2 SER 46 2.063 3.168 7.685 362 2HB SER 46 HB1 SER 46 3.434 3.888 8.522 363 HG SER 46 HG SER 46 1.274 5.171 7.233 364 H ALA 47 HN ALA 47 4.610 1.861 7.265 365 HA ALA 47 HA ALA 47 7.122 2.718 8.214 366 1HB ALA 47 HB1 ALA 47 6.791 0.515 8.746 367 2HB ALA 47 HB2 ALA 47 7.559 0.185 7.192 368 3HB ALA 47 HB3 ALA 47 5.799 0.233 7.315 369 H LEU 48 HN LEU 48 6.041 2.064 4.926 370 HA LEU 48 HA LEU 48 8.707 2.090 3.741 371 1HB LEU 48 HB1 LEU 48 6.125 2.749 2.308 372 2HB LEU 48 HB2 LEU 48 7.518 1.871 1.694 373 HG LEU 48 HG LEU 48 5.345 0.895 3.538 374 1HD1 LEU 48 HD21 LEU 48 5.971 -1.085 1.757 375 2HD1 LEU 48 HD22 LEU 48 6.333 0.363 0.817 376 3HD1 LEU 48 HD23 LEU 48 4.722 0.132 1.496 377 1HD2 LEU 48 HD11 LEU 48 7.020 -1.238 3.428 378 2HD2 LEU 48 HD12 LEU 48 6.995 -0.100 4.775 379 3HD2 LEU 48 HD13 LEU 48 8.196 0.075 3.495 380 H LEU 49 HN LEU 49 6.270 4.481 4.539 381 HA LEU 49 HA LEU 49 7.338 6.636 2.919 382 1HB LEU 49 HB1 LEU 49 5.140 6.056 4.648 383 2HB LEU 49 HB2 LEU 49 5.920 7.502 5.282 384 HG LEU 49 HG LEU 49 4.210 8.130 3.642 385 1HD1 LEU 49 HD21 LEU 49 6.921 8.465 2.340 386 2HD1 LEU 49 HD22 LEU 49 6.447 9.353 3.788 387 3HD1 LEU 49 HD23 LEU 49 5.551 9.574 2.286 388 1HD2 LEU 49 HD11 LEU 49 4.106 6.118 2.303 389 2HD2 LEU 49 HD12 LEU 49 5.787 6.308 1.807 390 3HD2 LEU 49 HD13 LEU 49 4.567 7.447 1.239 391 H ASN 50 HN ASN 50 7.668 5.719 6.359 392 HA ASN 50 HA ASN 50 9.406 7.929 7.041 393 1HB ASN 50 HB1 ASN 50 7.923 6.057 8.363 394 2HB ASN 50 HB2 ASN 50 9.538 5.376 8.556 395 1HD2 ASN 50 HD21 ASN 50 7.489 8.155 9.355 396 2HD2 ASN 50 HD22 ASN 50 8.548 8.832 10.496 397 H GLU 51 HN GLU 51 10.006 4.494 6.229 398 HA GLU 51 HA GLU 51 12.804 4.445 6.645 399 1HB GLU 51 HB2 GLU 51 10.720 2.923 5.286 400 2HB GLU 51 HB1 GLU 51 12.239 2.858 4.392 401 1HG GLU 51 HG2 GLU 51 13.102 1.431 5.903 402 2HG GLU 51 HG1 GLU 51 12.787 2.579 7.203 403 H CYS 52 HN CYS 52 11.040 5.124 3.591 404 HA CYS 52 HA CYS 52 13.281 5.729 1.974 405 1HB CYS 52 HB1 CYS 52 10.972 5.443 1.168 406 2HB CYS 52 HB2 CYS 52 10.471 6.895 2.034 407 HG CYS 52 HG CYS 52 11.317 8.276 0.161 408 H HIS 53 HN HIS 53 11.341 7.883 4.067 409 HA HIS 53 HA HIS 53 12.627 10.334 3.458 410 1HB HIS 53 HB1 HIS 53 10.713 9.276 5.259 411 2HB HIS 53 HB2 HIS 53 11.915 10.090 6.261 412 HD1 HIS 53 HD1 HIS 53 9.217 10.722 3.780 413 HD2 HIS 53 HD2 HIS 53 12.202 12.916 5.692 414 HE1 HIS 53 HE1 HIS 53 8.669 13.165 3.394 415 H LYS 54 HN LYS 54 13.651 7.678 5.549 416 HA LYS 54 HA LYS 54 15.786 9.217 6.830 417 1HB LYS 54 HB2 LYS 54 14.361 6.838 7.239 418 2HB LYS 54 HB1 LYS 54 15.998 6.303 6.872 419 1HG LYS 54 HG2 LYS 54 15.800 6.657 9.274 420 2HG LYS 54 HG1 LYS 54 16.863 7.889 8.598 421 1HD LYS 54 HD2 LYS 54 15.359 9.014 10.099 422 2HD LYS 54 HD1 LYS 54 14.831 9.413 8.468 423 1HE LYS 54 HE1 LYS 54 12.842 8.825 9.684 424 2HE LYS 54 HE2 LYS 54 13.218 7.418 8.675 425 1HZ LYS 54 HZ1 LYS 54 12.822 6.990 11.141 426 2HZ LYS 54 HZ2 LYS 54 14.324 7.737 11.405 427 3HZ LYS 54 HZ3 LYS 54 14.232 6.324 10.468 428 H GLN 55 HN GLN 55 15.838 6.355 4.668 429 HA GLN 55 HA GLN 55 18.639 6.676 4.019 430 1HB GLN 55 HB2 GLN 55 16.366 5.160 2.684 431 2HB GLN 55 HB1 GLN 55 18.081 4.880 2.386 432 1HG GLN 55 HG1 GLN 55 18.411 3.864 4.429 433 2HG GLN 55 HG2 GLN 55 17.156 4.817 5.222 434 1HE2 GLN 55 HE22 GLN 55 17.832 1.731 3.988 435 2HE2 GLN 55 HE21 GLN 55 16.239 1.160 3.855 436 H GLY 56 HN GLY 56 15.866 8.365 2.953 437 1HA GLY 56 HA1 GLY 56 15.618 9.981 1.267 438 2HA GLY 56 HA2 GLY 56 17.361 9.885 1.016 439 H GLY 57 HN GLY 57 15.175 7.130 0.814 440 1HA GLY 57 HA1 GLY 57 14.268 6.725 -1.612 441 2HA GLY 57 HA2 GLY 57 15.979 6.808 -2.035 442 H LEU 58 HN LEU 58 13.823 4.553 -1.907 443 HA LEU 58 HA LEU 58 15.636 2.577 -0.575 444 1HB LEU 58 HB2 LEU 58 13.734 3.250 0.896 445 2HB LEU 58 HB1 LEU 58 12.607 2.755 -0.363 446 HG LEU 58 HG LEU 58 14.556 0.666 0.213 447 1HD1 LEU 58 HD11 LEU 58 12.634 1.072 2.466 448 2HD1 LEU 58 HD12 LEU 58 14.120 2.023 2.469 449 3HD1 LEU 58 HD13 LEU 58 14.200 0.261 2.459 450 1HD2 LEU 58 HD21 LEU 58 11.917 0.932 -0.677 451 2HD2 LEU 58 HD22 LEU 58 11.775 0.135 0.889 452 3HD2 LEU 58 HD23 LEU 58 12.770 -0.582 -0.375 453 H ARG 59 HN ARG 59 16.153 1.012 -2.039 454 HA ARG 59 HA ARG 59 14.994 0.749 -4.632 455 1HB ARG 59 HB2 ARG 59 16.552 -1.169 -2.857 456 2HB ARG 59 HB1 ARG 59 16.285 -1.417 -4.582 457 1HG ARG 59 HG2 ARG 59 17.247 1.093 -4.666 458 2HG ARG 59 HG1 ARG 59 18.050 0.542 -3.196 459 1HD ARG 59 HD1 ARG 59 18.638 -1.580 -4.652 460 2HD ARG 59 HD2 ARG 59 18.346 -0.478 -6.011 461 HE ARG 59 HE ARG 59 19.996 0.722 -3.929 462 1HH1 ARG 59 HH11 ARG 59 19.994 -1.338 -6.735 463 2HH1 ARG 59 HH12 ARG 59 21.650 -1.011 -7.112 464 1HH2 ARG 59 HH22 ARG 59 22.143 1.131 -4.439 465 2HH2 ARG 59 HH21 ARG 59 22.859 0.376 -5.823 466 H LEU 60 HN LEU 60 13.579 -0.948 -5.443 467 HA LEU 60 HA LEU 60 11.352 -1.568 -3.734 468 1HB LEU 60 HB1 LEU 60 11.306 -1.279 -6.211 469 2HB LEU 60 HB2 LEU 60 12.236 -2.765 -6.387 470 HG LEU 60 HG LEU 60 10.442 -4.080 -5.433 471 1HD1 LEU 60 HD11 LEU 60 9.236 -3.053 -3.808 472 2HD1 LEU 60 HD12 LEU 60 8.247 -2.432 -5.130 473 3HD1 LEU 60 HD13 LEU 60 9.553 -1.447 -4.470 474 1HD2 LEU 60 HD21 LEU 60 10.326 -3.119 -7.866 475 2HD2 LEU 60 HD22 LEU 60 8.986 -2.159 -7.236 476 3HD2 LEU 60 HD23 LEU 60 8.906 -3.921 -7.195 477 H ALA 61 HN ALA 61 14.264 -3.373 -4.641 478 HA ALA 61 HA ALA 61 13.442 -5.970 -3.749 479 1HB ALA 61 HB1 ALA 61 15.570 -4.968 -5.024 480 2HB ALA 61 HB2 ALA 61 15.695 -6.471 -4.108 481 3HB ALA 61 HB3 ALA 61 16.247 -4.955 -3.395 482 H GLN 62 HN GLN 62 15.396 -3.487 -2.042 483 HA GLN 62 HA GLN 62 15.563 -4.705 0.493 484 1HB GLN 62 HB1 GLN 62 15.191 -1.795 -0.318 485 2HB GLN 62 HB2 GLN 62 15.757 -2.316 1.269 486 1HG GLN 62 HG2 GLN 62 17.766 -3.212 0.384 487 2HG GLN 62 HG1 GLN 62 17.145 -3.198 -1.265 488 1HE2 GLN 62 HE21 GLN 62 19.579 -1.913 -0.833 489 2HE2 GLN 62 HE22 GLN 62 19.375 -0.229 -0.908 490 H ALA 63 HN ALA 63 12.900 -3.012 -1.044 491 HA ALA 63 HA ALA 63 11.229 -2.674 1.276 492 1HB ALA 63 HB1 ALA 63 11.154 -2.414 -1.648 493 2HB ALA 63 HB2 ALA 63 10.381 -1.415 -0.423 494 3HB ALA 63 HB3 ALA 63 9.599 -2.896 -0.969 495 H ARG 64 HN ARG 64 11.415 -5.193 -1.242 496 HA ARG 64 HA ARG 64 9.231 -6.797 -0.399 497 1HB ARG 64 HB2 ARG 64 11.766 -7.089 -1.940 498 2HB ARG 64 HB1 ARG 64 11.023 -8.582 -1.382 499 1HG ARG 64 HG1 ARG 64 10.080 -8.193 -3.512 500 2HG ARG 64 HG2 ARG 64 8.839 -7.715 -2.354 501 1HD ARG 64 HD1 ARG 64 8.824 -5.872 -3.735 502 2HD ARG 64 HD2 ARG 64 10.068 -5.347 -2.598 503 HE ARG 64 HE ARG 64 11.634 -5.596 -4.351 504 1HH1 ARG 64 HH22 ARG 64 8.817 -7.548 -4.958 505 2HH1 ARG 64 HH21 ARG 64 9.387 -8.086 -6.498 506 1HH2 ARG 64 HH11 ARG 64 12.352 -6.307 -6.353 507 2HH2 ARG 64 HH12 ARG 64 11.373 -7.390 -7.285 508 H ALA 65 HN ALA 65 12.570 -6.607 0.763 509 HA ALA 65 HA ALA 65 12.141 -8.823 2.676 510 1HB ALA 65 HB1 ALA 65 14.496 -6.941 2.346 511 2HB ALA 65 HB2 ALA 65 14.243 -8.345 1.309 512 3HB ALA 65 HB3 ALA 65 14.512 -8.564 3.038 513 H LEU 66 HN LEU 66 11.374 -5.548 2.683 514 HA LEU 66 HA LEU 66 12.190 -5.033 5.472 515 1HB LEU 66 HB1 LEU 66 11.820 -3.528 3.174 516 2HB LEU 66 HB2 LEU 66 10.388 -3.133 4.123 517 HG LEU 66 HG LEU 66 13.210 -3.038 5.218 518 1HD1 LEU 66 HD21 LEU 66 11.450 -0.928 3.966 519 2HD1 LEU 66 HD22 LEU 66 13.136 -1.300 3.607 520 3HD1 LEU 66 HD23 LEU 66 12.711 -0.504 5.123 521 1HD2 LEU 66 HD11 LEU 66 11.210 -3.387 6.774 522 2HD2 LEU 66 HD12 LEU 66 10.674 -1.778 6.287 523 3HD2 LEU 66 HD13 LEU 66 12.217 -1.980 7.119 524 H ILE 67 HN ILE 67 9.012 -4.409 3.929 525 HA ILE 67 HA ILE 67 7.708 -5.141 6.490 526 HB ILE 67 HB ILE 67 5.751 -4.073 5.376 527 1HG1 ILE 67 HG11 ILE 67 7.448 -3.247 3.068 528 2HG1 ILE 67 HG12 ILE 67 6.811 -4.891 3.045 529 1HG2 ILE 67 HG21 ILE 67 6.566 -1.891 5.569 530 2HG2 ILE 67 HG22 ILE 67 8.108 -2.295 4.814 531 3HG2 ILE 67 HG23 ILE 67 7.777 -2.804 6.470 532 1HD1 ILE 67 HD11 ILE 67 4.570 -4.151 3.091 533 2HD1 ILE 67 HD12 ILE 67 5.357 -3.014 1.996 534 3HD1 ILE 67 HD13 ILE 67 5.020 -2.544 3.662 535 H LYS 68 HN LYS 68 5.288 -6.070 5.724 536 HA LYS 68 HA LYS 68 4.218 -8.110 5.192 537 1HB LYS 68 HB2 LYS 68 5.752 -7.041 2.866 538 2HB LYS 68 HB1 LYS 68 5.009 -8.621 2.663 539 1HG LYS 68 HG2 LYS 68 3.584 -6.087 3.528 540 2HG LYS 68 HG1 LYS 68 3.477 -6.835 1.934 541 1HD LYS 68 HD2 LYS 68 1.822 -8.155 2.682 542 2HD LYS 68 HD1 LYS 68 2.928 -8.859 3.860 543 1HE LYS 68 HE1 LYS 68 2.431 -6.790 5.318 544 2HE LYS 68 HE2 LYS 68 1.069 -6.496 4.221 545 1HZ LYS 68 HZ1 LYS 68 1.607 -8.890 5.887 546 2HZ LYS 68 HZ2 LYS 68 0.538 -8.941 4.568 547 3HZ LYS 68 HZ3 LYS 68 0.220 -7.909 5.879 548 H ILE 69 HN ILE 69 5.135 -10.257 3.575 549 HA ILE 69 HA ILE 69 7.569 -11.204 5.027 550 HB ILE 69 HB ILE 69 6.473 -13.283 5.535 551 1HG1 ILE 69 HG12 ILE 69 5.221 -13.424 3.334 552 2HG1 ILE 69 HG11 ILE 69 4.319 -13.955 4.746 553 1HG2 ILE 69 HG21 ILE 69 4.733 -12.576 7.024 554 2HG2 ILE 69 HG22 ILE 69 4.399 -11.144 6.049 555 3HG2 ILE 69 HG23 ILE 69 5.912 -11.266 6.948 556 1HD1 ILE 69 HD11 ILE 69 3.765 -11.209 4.547 557 2HD1 ILE 69 HD12 ILE 69 2.688 -12.535 4.118 558 3HD1 ILE 69 HD13 ILE 69 3.718 -11.802 2.889 559 H ASP 70 HN ASP 70 5.498 -11.472 2.169 560 HA ASP 70 HA ASP 70 7.477 -13.241 0.837 561 1HB ASP 70 HB1 ASP 70 4.748 -13.166 0.972 562 2HB ASP 70 HB2 ASP 70 5.038 -12.305 -0.537 563 H VAL 71 HN VAL 71 6.498 -12.161 -1.802 564 HA VAL 71 HA VAL 71 8.206 -9.696 -1.880 565 HB VAL 71 HB VAL 71 8.117 -10.774 -4.462 566 1HG1 VAL 71 HG11 VAL 71 10.218 -10.144 -4.054 567 2HG1 VAL 71 HG12 VAL 71 10.464 -11.735 -3.333 568 3HG1 VAL 71 HG13 VAL 71 10.025 -10.362 -2.315 569 1HG2 VAL 71 HG21 VAL 71 7.134 -12.873 -3.463 570 2HG2 VAL 71 HG22 VAL 71 8.633 -13.061 -2.549 571 3HG2 VAL 71 HG23 VAL 71 8.665 -13.112 -4.312 572 H ASN 72 HN ASN 72 5.709 -11.369 -3.815 573 HA ASN 72 HA ASN 72 4.890 -9.099 -5.298 574 1HB ASN 72 HB2 ASN 72 4.288 -11.771 -5.169 575 2HB ASN 72 HB1 ASN 72 2.816 -11.070 -4.496 576 1HD2 ASN 72 HD21 ASN 72 3.733 -12.240 -7.323 577 2HD2 ASN 72 HD22 ASN 72 3.054 -11.120 -8.403 578 H LYS 73 HN LYS 73 4.165 -10.128 -2.054 579 HA LYS 73 HA LYS 73 1.844 -8.530 -1.526 580 1HB LYS 73 HB1 LYS 73 4.007 -10.008 -0.090 581 2HB LYS 73 HB2 LYS 73 3.111 -8.828 0.854 582 1HG LYS 73 HG2 LYS 73 1.383 -10.235 1.015 583 2HG LYS 73 HG1 LYS 73 1.253 -10.324 -0.734 584 1HD LYS 73 HD1 LYS 73 3.342 -11.903 0.753 585 2HD LYS 73 HD2 LYS 73 1.698 -12.515 0.613 586 1HE LYS 73 HE2 LYS 73 3.563 -11.818 -1.681 587 2HE LYS 73 HE1 LYS 73 3.003 -13.433 -1.230 588 1HZ LYS 73 HZ1 LYS 73 1.495 -11.210 -2.435 589 2HZ LYS 73 HZ2 LYS 73 0.670 -12.297 -1.422 590 3HZ LYS 73 HZ3 LYS 73 1.457 -12.864 -2.816 591 H THR 74 HN THR 74 5.287 -8.001 -0.672 592 HA THR 74 HA THR 74 4.966 -5.207 -0.026 593 HB THR 74 HB THR 74 7.357 -6.860 -0.930 594 HG1 THR 74 HG1 THR 74 7.419 -7.526 1.046 595 1HG2 THR 74 HG21 THR 74 7.929 -4.641 0.846 596 2HG2 THR 74 HG22 THR 74 7.122 -4.075 -0.616 597 3HG2 THR 74 HG23 THR 74 8.615 -5.000 -0.739 598 H ARG 75 HN ARG 75 6.172 -6.918 -2.919 599 HA ARG 75 HA ARG 75 6.933 -4.801 -4.541 600 1HB ARG 75 HB1 ARG 75 6.885 -7.361 -4.914 601 2HB ARG 75 HB2 ARG 75 5.247 -7.117 -5.520 602 1HG ARG 75 HG1 ARG 75 6.185 -5.401 -7.118 603 2HG ARG 75 HG2 ARG 75 7.799 -5.887 -6.601 604 1HD ARG 75 HD2 ARG 75 7.080 -8.294 -7.226 605 2HD ARG 75 HD1 ARG 75 5.737 -7.524 -8.093 606 HE ARG 75 HE ARG 75 8.189 -6.174 -8.731 607 1HH1 ARG 75 HH11 ARG 75 6.491 -9.159 -9.296 608 2HH1 ARG 75 HH12 ARG 75 7.242 -9.424 -10.831 609 1HH2 ARG 75 HH22 ARG 75 9.150 -6.538 -10.726 610 2HH2 ARG 75 HH21 ARG 75 8.736 -7.952 -11.637 611 H LYS 76 HN LYS 76 3.632 -5.718 -3.666 612 HA LYS 76 HA LYS 76 2.447 -3.979 -5.721 613 1HB LYS 76 HB2 LYS 76 1.496 -5.757 -3.478 614 2HB LYS 76 HB1 LYS 76 0.364 -4.679 -4.295 615 1HG LYS 76 HG1 LYS 76 1.260 -5.682 -6.491 616 2HG LYS 76 HG2 LYS 76 1.988 -6.937 -5.488 617 1HD LYS 76 HD1 LYS 76 -0.217 -7.511 -4.573 618 2HD LYS 76 HD2 LYS 76 -0.961 -6.218 -5.515 619 1HE LYS 76 HE1 LYS 76 -1.324 -7.994 -6.971 620 2HE LYS 76 HE2 LYS 76 0.295 -7.521 -7.518 621 1HZ LYS 76 HZ1 LYS 76 0.364 -9.838 -7.011 622 2HZ LYS 76 HZ2 LYS 76 -0.403 -9.604 -5.514 623 3HZ LYS 76 HZ3 LYS 76 1.179 -9.035 -5.755 624 H ILE 77 HN ILE 77 2.537 -3.997 -2.124 625 HA ILE 77 HA ILE 77 1.322 -1.434 -1.778 626 HB ILE 77 HB ILE 77 3.366 -2.966 -0.122 627 1HG1 ILE 77 HG12 ILE 77 0.333 -2.972 -0.112 628 2HG1 ILE 77 HG11 ILE 77 1.366 -4.294 -0.637 629 1HG2 ILE 77 HG21 ILE 77 2.860 -0.454 0.383 630 2HG2 ILE 77 HG22 ILE 77 2.791 -1.614 1.710 631 3HG2 ILE 77 HG23 ILE 77 1.301 -1.055 0.950 632 1HD1 ILE 77 HD11 ILE 77 1.574 -5.028 1.479 633 2HD1 ILE 77 HD12 ILE 77 0.427 -3.787 1.984 634 3HD1 ILE 77 HD13 ILE 77 2.157 -3.448 2.002 635 H TYR 78 HN TYR 78 4.783 -2.367 -1.786 636 HA TYR 78 HA TYR 78 5.808 0.285 -1.560 637 1HB TYR 78 HB2 TYR 78 6.729 -2.420 -1.937 638 2HB TYR 78 HB1 TYR 78 7.603 -1.356 -3.042 639 HD1 TYR 78 HD1 TYR 78 7.234 -2.438 0.376 640 HD2 TYR 78 HD2 TYR 78 8.633 0.796 -2.079 641 HE1 TYR 78 HE1 TYR 78 8.577 -1.582 2.272 642 HE2 TYR 78 HE2 TYR 78 9.977 1.653 -0.177 643 HH TYR 78 HH TYR 78 9.930 1.510 2.318 644 H ASP 79 HN ASP 79 5.000 -1.688 -4.462 645 HA ASP 79 HA ASP 79 6.036 0.016 -6.466 646 1HB ASP 79 HB2 ASP 79 3.822 -1.937 -6.165 647 2HB ASP 79 HB1 ASP 79 3.635 -0.807 -7.501 648 H PHE 80 HN PHE 80 3.000 0.261 -4.624 649 HA PHE 80 HA PHE 80 1.893 2.512 -5.980 650 1HB PHE 80 HB2 PHE 80 0.771 1.001 -4.318 651 2HB PHE 80 HB1 PHE 80 1.731 1.743 -3.039 652 HD1 PHE 80 HD1 PHE 80 -0.188 3.012 -6.012 653 HD2 PHE 80 HD2 PHE 80 0.516 3.285 -1.783 654 HE1 PHE 80 HE1 PHE 80 -1.834 4.861 -5.857 655 HE2 PHE 80 HE2 PHE 80 -1.130 5.134 -1.629 656 HZ PHE 80 HZ PHE 80 -2.305 5.922 -3.667 657 H LEU 81 HN LEU 81 3.702 2.493 -2.854 658 HA LEU 81 HA LEU 81 4.067 5.283 -2.643 659 1HB LEU 81 HB2 LEU 81 5.987 3.042 -1.902 660 2HB LEU 81 HB1 LEU 81 5.965 4.654 -1.195 661 HG LEU 81 HG LEU 81 3.339 3.374 -1.110 662 1HD1 LEU 81 HD21 LEU 81 4.602 2.063 1.001 663 2HD1 LEU 81 HD22 LEU 81 5.696 1.816 -0.361 664 3HD1 LEU 81 HD23 LEU 81 4.012 1.307 -0.479 665 1HD2 LEU 81 HD11 LEU 81 3.961 3.927 1.430 666 2HD2 LEU 81 HD12 LEU 81 3.528 5.204 0.291 667 3HD2 LEU 81 HD13 LEU 81 5.223 4.880 0.650 668 H ILE 82 HN ILE 82 6.167 2.908 -4.292 669 HA ILE 82 HA ILE 82 8.234 4.694 -5.097 670 HB ILE 82 HB ILE 82 7.099 2.159 -6.329 671 1HG1 ILE 82 HG11 ILE 82 7.914 2.102 -3.917 672 2HG1 ILE 82 HG12 ILE 82 8.701 0.972 -5.015 673 1HG2 ILE 82 HG21 ILE 82 9.844 3.384 -6.734 674 2HG2 ILE 82 HG22 ILE 82 8.528 3.479 -7.904 675 3HG2 ILE 82 HG23 ILE 82 9.223 1.914 -7.486 676 1HD1 ILE 82 HD11 ILE 82 9.942 2.924 -3.388 677 2HD1 ILE 82 HD12 ILE 82 10.107 3.493 -5.047 678 3HD1 ILE 82 HD13 ILE 82 10.708 1.897 -4.597 679 H ARG 83 HN ARG 83 5.839 3.258 -7.313 680 HA ARG 83 HA ARG 83 6.248 5.016 -9.465 681 1HB ARG 83 HB1 ARG 83 3.932 3.352 -8.488 682 2HB ARG 83 HB2 ARG 83 3.866 4.216 -10.026 683 1HG ARG 83 HG1 ARG 83 5.020 2.532 -10.961 684 2HG ARG 83 HG2 ARG 83 6.392 2.943 -9.943 685 1HD ARG 83 HD2 ARG 83 5.851 1.327 -8.326 686 2HD ARG 83 HD1 ARG 83 4.151 1.254 -8.832 687 HE ARG 83 HE ARG 83 4.788 -0.236 -10.563 688 1HH1 ARG 83 HH12 ARG 83 7.560 1.413 -9.252 689 2HH1 ARG 83 HH11 ARG 83 8.689 0.466 -10.156 690 1HH2 ARG 83 HH22 ARG 83 6.273 -1.453 -11.725 691 2HH2 ARG 83 HH21 ARG 83 7.968 -1.145 -11.547 692 H GLU 84 HN GLU 84 4.366 5.534 -6.536 693 HA GLU 84 HA GLU 84 3.004 7.903 -7.680 694 1HB GLU 84 HB2 GLU 84 3.030 6.581 -4.942 695 2HB GLU 84 HB1 GLU 84 1.999 7.944 -5.374 696 1HG GLU 84 HG1 GLU 84 1.973 5.495 -7.108 697 2HG GLU 84 HG2 GLU 84 1.083 5.476 -5.586 698 H GLY 85 HN GLY 85 3.039 9.804 -5.853 699 1HA GLY 85 HA1 GLY 85 5.881 10.610 -5.709 700 2HA GLY 85 HA2 GLY 85 4.495 11.663 -5.429 701 H TYR 86 HN TYR 86 5.594 8.571 -3.975 702 HA TYR 86 HA TYR 86 5.188 9.849 -1.294 703 1HB TYR 86 HB1 TYR 86 4.846 7.075 -2.430 704 2HB TYR 86 HB2 TYR 86 5.056 7.295 -0.693 705 HD1 TYR 86 HD1 TYR 86 2.594 6.726 -2.940 706 HD2 TYR 86 HD2 TYR 86 3.650 9.674 0.000 707 HE1 TYR 86 HE1 TYR 86 0.209 7.375 -2.734 708 HE2 TYR 86 HE2 TYR 86 1.266 10.323 0.207 709 HH TYR 86 HH TYR 86 -1.187 8.589 -0.602 710 H ILE 87 HN ILE 87 7.007 6.961 -2.365 711 HA ILE 87 HA ILE 87 9.364 8.042 -0.869 712 HB ILE 87 HB ILE 87 9.963 5.684 -0.590 713 1HG1 ILE 87 HG11 ILE 87 7.525 5.042 -2.270 714 2HG1 ILE 87 HG12 ILE 87 9.185 4.967 -2.861 715 1HG2 ILE 87 HG21 ILE 87 7.401 6.787 0.233 716 2HG2 ILE 87 HG22 ILE 87 8.539 5.800 1.151 717 3HG2 ILE 87 HG23 ILE 87 7.336 5.027 0.117 718 1HD1 ILE 87 HD11 ILE 87 8.438 2.740 -2.119 719 2HD1 ILE 87 HD12 ILE 87 8.064 3.391 -0.522 720 3HD1 ILE 87 HD13 ILE 87 9.736 3.336 -1.083 721 H THR 88 HN THR 88 11.095 5.998 -2.142 722 HA THR 88 HA THR 88 11.111 6.611 -5.016 723 HB THR 88 HB THR 88 13.552 7.603 -4.517 724 HG1 THR 88 HG1 THR 88 13.526 8.759 -2.591 725 1HG2 THR 88 HG21 THR 88 11.377 9.531 -3.881 726 2HG2 THR 88 HG22 THR 88 11.222 8.641 -5.395 727 3HG2 THR 88 HG23 THR 88 12.650 9.632 -5.097 728 H LYS 89 HN LYS 89 12.877 5.445 -6.122 729 HA LYS 89 HA LYS 89 14.083 3.268 -4.452 730 1HB LYS 89 HB1 LYS 89 13.643 1.801 -6.429 731 2HB LYS 89 HB2 LYS 89 12.163 2.477 -5.751 732 1HG LYS 89 HG1 LYS 89 11.686 3.464 -7.714 733 2HG LYS 89 HG2 LYS 89 13.224 4.323 -7.666 734 1HD LYS 89 HD1 LYS 89 14.100 1.865 -8.381 735 2HD LYS 89 HD2 LYS 89 12.492 1.829 -9.105 736 1HE LYS 89 HE2 LYS 89 14.005 4.348 -9.531 737 2HE LYS 89 HE1 LYS 89 14.652 2.917 -10.357 738 1HZ LYS 89 HZ1 LYS 89 12.790 4.187 -11.525 739 2HZ LYS 89 HZ2 LYS 89 11.756 3.541 -10.342 740 3HZ LYS 89 HZ3 LYS 89 12.605 2.504 -11.387 741 H ALA 90 HN ALA 90 15.855 5.053 -4.570 742 HA ALA 90 HA ALA 90 17.230 5.576 -7.041 743 1HB ALA 90 HB1 ALA 90 18.886 5.616 -4.640 744 2HB ALA 90 HB2 ALA 90 17.305 6.336 -4.333 745 3HB ALA 90 HB3 ALA 90 18.328 6.971 -5.622 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 26.801 -10.516 0.719 2 2H GLY 1 HT2 GLY 1 26.065 -11.926 0.124 3 3H GLY 1 HT3 GLY 1 25.641 -11.329 1.656 4 1HA GLY 1 HA1 GLY 1 24.863 -9.247 0.491 5 2HA GLY 1 HA2 GLY 1 25.000 -10.185 -0.997 6 H SER 2 HN SER 2 22.797 -10.394 -1.447 7 HA SER 2 HA SER 2 20.634 -11.324 -1.286 8 1HB SER 2 HB2 SER 2 21.788 -13.075 0.892 9 2HB SER 2 HB1 SER 2 20.589 -13.496 -0.331 10 HG SER 2 HG SER 2 23.166 -13.870 -0.459 11 H ASN 3 HN ASN 3 18.743 -11.349 0.139 12 HA ASN 3 HA ASN 3 17.423 -10.362 1.831 13 1HB ASN 3 HB2 ASN 3 19.842 -11.606 3.019 14 2HB ASN 3 HB1 ASN 3 18.975 -10.493 4.078 15 1HD2 ASN 3 HD21 ASN 3 16.357 -10.886 3.694 16 2HD2 ASN 3 HD22 ASN 3 15.906 -12.515 3.853 17 H SER 4 HN SER 4 19.042 -8.520 0.244 18 HA SER 4 HA SER 4 19.801 -6.469 2.291 19 1HB SER 4 HB1 SER 4 21.450 -7.340 0.550 20 2HB SER 4 HB2 SER 4 20.438 -6.577 -0.676 21 HG SER 4 HG SER 4 21.006 -4.640 0.015 22 H GLY 5 HN GLY 5 18.440 -6.536 -1.032 23 1HA GLY 5 HA2 GLY 5 15.966 -5.504 -0.804 24 2HA GLY 5 HA1 GLY 5 16.926 -4.072 -0.429 25 H ARG 6 HN ARG 6 15.541 -3.581 -2.563 26 HA ARG 6 HA ARG 6 17.030 -4.487 -4.982 27 1HB ARG 6 HB1 ARG 6 14.327 -4.000 -4.303 28 2HB ARG 6 HB2 ARG 6 14.772 -2.718 -5.429 29 1HG ARG 6 HG1 ARG 6 14.374 -4.252 -7.052 30 2HG ARG 6 HG2 ARG 6 15.926 -4.945 -6.581 31 1HD ARG 6 HD1 ARG 6 13.306 -5.725 -5.259 32 2HD ARG 6 HD2 ARG 6 14.016 -6.617 -6.618 33 HE ARG 6 HE ARG 6 15.946 -6.116 -4.496 34 1HH1 ARG 6 HH22 ARG 6 13.356 -8.189 -5.555 35 2HH1 ARG 6 HH21 ARG 6 13.921 -9.544 -4.642 36 1HH2 ARG 6 HH12 ARG 6 16.659 -7.890 -3.321 37 2HH2 ARG 6 HH11 ARG 6 15.777 -9.379 -3.386 38 H ARG 7 HN ARG 7 17.071 -2.549 -6.702 39 HA ARG 7 HA ARG 7 17.820 0.017 -5.386 40 1HB ARG 7 HB1 ARG 7 19.574 -2.022 -6.594 41 2HB ARG 7 HB2 ARG 7 19.846 -0.400 -7.232 42 1HG ARG 7 HG2 ARG 7 19.597 0.064 -4.522 43 2HG ARG 7 HG1 ARG 7 20.435 -1.487 -4.564 44 1HD ARG 7 HD2 ARG 7 22.315 -0.591 -5.593 45 2HD ARG 7 HD1 ARG 7 21.387 0.680 -6.409 46 HE ARG 7 HE ARG 7 22.466 0.819 -3.695 47 1HH1 ARG 7 HH11 ARG 7 19.962 1.906 -5.856 48 2HH1 ARG 7 HH12 ARG 7 19.665 3.355 -4.959 49 1HH2 ARG 7 HH21 ARG 7 22.062 2.705 -2.548 50 2HH2 ARG 7 HH22 ARG 7 20.844 3.806 -3.099 51 H SER 8 HN SER 8 17.365 1.788 -6.701 52 HA SER 8 HA SER 8 17.220 1.679 -9.582 53 1HB SER 8 HB1 SER 8 14.940 0.803 -7.976 54 2HB SER 8 HB2 SER 8 14.507 2.142 -9.039 55 HG SER 8 HG SER 8 14.690 0.874 -10.689 56 H ALA 9 HN ALA 9 15.956 3.233 -6.634 57 HA ALA 9 HA ALA 9 16.841 5.864 -7.649 58 1HB ALA 9 HB1 ALA 9 14.341 6.585 -7.008 59 2HB ALA 9 HB2 ALA 9 14.009 4.904 -7.428 60 3HB ALA 9 HB3 ALA 9 14.730 5.985 -8.620 61 HA PRO 10 HA PRO 10 17.690 6.583 -3.393 62 1HB PRO 10 HB1 PRO 10 16.564 9.316 -3.915 63 2HB PRO 10 HB2 PRO 10 18.127 8.852 -3.277 64 1HG PRO 10 HG1 PRO 10 17.985 9.737 -5.702 65 2HG PRO 10 HG2 PRO 10 19.018 8.353 -5.318 66 1HD PRO 10 HD2 PRO 10 16.336 8.408 -6.519 67 2HD PRO 10 HD1 PRO 10 17.742 7.463 -7.010 68 HA PRO 11 HA PRO 11 13.443 5.661 -2.102 69 1HB PRO 11 HB2 PRO 11 14.903 5.125 0.434 70 2HB PRO 11 HB1 PRO 11 13.712 4.122 -0.418 71 1HG PRO 11 HG2 PRO 11 16.276 3.536 -0.499 72 2HG PRO 11 HG1 PRO 11 15.269 3.337 -1.929 73 1HD PRO 11 HD1 PRO 11 17.263 5.470 -1.287 74 2HD PRO 11 HD2 PRO 11 16.907 4.684 -2.840 75 H LEU 12 HN LEU 12 12.904 6.096 0.695 76 HA LEU 12 HA LEU 12 13.448 9.003 1.080 77 1HB LEU 12 HB1 LEU 12 10.851 7.548 0.709 78 2HB LEU 12 HB2 LEU 12 10.883 8.966 1.755 79 HG LEU 12 HG LEU 12 12.358 9.631 -0.581 80 1HD1 LEU 12 HD11 LEU 12 10.037 9.328 -1.998 81 2HD1 LEU 12 HD12 LEU 12 10.067 7.837 -1.058 82 3HD1 LEU 12 HD13 LEU 12 11.420 8.239 -2.115 83 1HD2 LEU 12 HD21 LEU 12 10.641 10.865 1.077 84 2HD2 LEU 12 HD22 LEU 12 9.533 10.524 -0.253 85 3HD2 LEU 12 HD23 LEU 12 10.988 11.479 -0.539 86 H ASN 13 HN ASN 13 11.171 6.897 2.752 87 HA ASN 13 HA ASN 13 12.826 7.175 5.229 88 1HB ASN 13 HB1 ASN 13 10.223 7.895 4.698 89 2HB ASN 13 HB2 ASN 13 10.007 6.297 5.412 90 1HD2 ASN 13 HD22 ASN 13 9.331 6.859 7.532 91 2HD2 ASN 13 HD21 ASN 13 10.250 7.817 8.590 92 H LEU 14 HN LEU 14 11.549 4.940 2.933 93 HA LEU 14 HA LEU 14 11.335 2.572 4.514 94 1HB LEU 14 HB2 LEU 14 11.409 3.428 1.724 95 2HB LEU 14 HB1 LEU 14 12.226 1.880 1.936 96 HG LEU 14 HG LEU 14 10.248 0.991 3.105 97 1HD1 LEU 14 HD11 LEU 14 8.171 2.325 3.165 98 2HD1 LEU 14 HD12 LEU 14 9.031 3.693 2.457 99 3HD1 LEU 14 HD13 LEU 14 9.459 3.121 4.069 100 1HD2 LEU 14 HD21 LEU 14 9.538 2.304 0.466 101 2HD2 LEU 14 HD22 LEU 14 8.742 0.898 1.172 102 3HD2 LEU 14 HD23 LEU 14 10.419 0.786 0.637 103 H THR 15 HN THR 15 14.092 3.947 2.700 104 HA THR 15 HA THR 15 15.982 1.909 2.989 105 HB THR 15 HB THR 15 16.284 4.002 1.727 106 HG1 THR 15 HG1 THR 15 18.198 3.929 3.807 107 1HG2 THR 15 HG21 THR 15 17.051 5.689 3.970 108 2HG2 THR 15 HG22 THR 15 15.366 5.183 4.095 109 3HG2 THR 15 HG23 THR 15 15.928 6.029 2.653 110 H GLY 16 HN GLY 16 16.308 0.810 4.903 111 1HA GLY 16 HA2 GLY 16 17.736 0.997 6.967 112 2HA GLY 16 HA1 GLY 16 16.828 2.461 7.344 113 H LEU 17 HN LEU 17 14.333 1.018 6.272 114 HA LEU 17 HA LEU 17 13.628 -0.212 8.865 115 1HB LEU 17 HB2 LEU 17 12.200 0.764 6.398 116 2HB LEU 17 HB1 LEU 17 11.348 -0.253 7.558 117 HG LEU 17 HG LEU 17 12.893 1.927 8.792 118 1HD1 LEU 17 HD21 LEU 17 11.675 2.674 6.464 119 2HD1 LEU 17 HD22 LEU 17 11.890 3.744 7.848 120 3HD1 LEU 17 HD23 LEU 17 10.360 2.899 7.617 121 1HD2 LEU 17 HD11 LEU 17 9.985 1.091 8.961 122 2HD2 LEU 17 HD12 LEU 17 10.834 2.137 10.097 123 3HD2 LEU 17 HD13 LEU 17 11.279 0.435 9.962 124 HA PRO 18 HA PRO 18 14.003 -4.356 7.500 125 1HB PRO 18 HB1 PRO 18 11.943 -5.543 8.908 126 2HB PRO 18 HB2 PRO 18 13.481 -5.054 9.643 127 1HG PRO 18 HG2 PRO 18 10.842 -3.663 9.654 128 2HG PRO 18 HG1 PRO 18 12.037 -3.824 10.950 129 1HD PRO 18 HD1 PRO 18 11.745 -1.568 9.476 130 2HD PRO 18 HD2 PRO 18 13.301 -2.074 10.167 131 H GLY 19 HN GLY 19 10.507 -3.562 7.749 132 1HA GLY 19 HA2 GLY 19 9.620 -5.401 5.801 133 2HA GLY 19 HA1 GLY 19 8.758 -3.931 6.233 134 H THR 20 HN THR 20 11.365 -2.447 5.358 135 HA THR 20 HA THR 20 10.576 -1.426 2.905 136 HB THR 20 HB THR 20 13.438 -2.077 3.663 137 HG1 THR 20 HG1 THR 20 13.269 -0.076 4.843 138 1HG2 THR 20 HG21 THR 20 13.659 -0.922 1.697 139 2HG2 THR 20 HG22 THR 20 13.429 0.471 2.752 140 3HG2 THR 20 HG23 THR 20 12.067 -0.177 1.838 141 H GLU 21 HN GLU 21 12.625 -4.314 3.403 142 HA GLU 21 HA GLU 21 12.825 -4.846 0.533 143 1HB GLU 21 HB1 GLU 21 14.587 -5.403 2.185 144 2HB GLU 21 HB2 GLU 21 13.471 -6.496 3.001 145 1HG GLU 21 HG1 GLU 21 13.264 -7.795 0.870 146 2HG GLU 21 HG2 GLU 21 14.497 -6.754 0.160 147 H LYS 22 HN LYS 22 10.750 -5.834 3.196 148 HA LYS 22 HA LYS 22 9.605 -8.188 2.042 149 1HB LYS 22 HB2 LYS 22 8.685 -6.059 3.991 150 2HB LYS 22 HB1 LYS 22 7.666 -7.441 3.592 151 1HG LYS 22 HG2 LYS 22 10.482 -8.062 4.292 152 2HG LYS 22 HG1 LYS 22 9.473 -7.470 5.611 153 1HD LYS 22 HD1 LYS 22 7.734 -9.208 4.749 154 2HD LYS 22 HD2 LYS 22 9.109 -9.936 3.919 155 1HE LYS 22 HE2 LYS 22 9.381 -9.247 6.833 156 2HE LYS 22 HE1 LYS 22 8.512 -10.723 6.370 157 1HZ LYS 22 HZ1 LYS 22 11.210 -9.942 5.382 158 2HZ LYS 22 HZ2 LYS 22 10.386 -11.381 5.015 159 3HZ LYS 22 HZ3 LYS 22 10.925 -11.091 6.600 160 H LEU 23 HN LEU 23 9.180 -4.789 1.365 161 HA LEU 23 HA LEU 23 6.627 -5.133 -0.048 162 1HB LEU 23 HB2 LEU 23 8.638 -2.851 0.050 163 2HB LEU 23 HB1 LEU 23 6.972 -2.731 -0.514 164 HG LEU 23 HG LEU 23 7.845 -3.489 2.292 165 1HD1 LEU 23 HD21 LEU 23 6.122 -1.154 1.932 166 2HD1 LEU 23 HD22 LEU 23 7.675 -0.973 1.117 167 3HD1 LEU 23 HD23 LEU 23 7.620 -1.308 2.848 168 1HD2 LEU 23 HD11 LEU 23 5.137 -3.267 0.961 169 2HD2 LEU 23 HD12 LEU 23 5.338 -3.212 2.713 170 3HD2 LEU 23 HD13 LEU 23 5.813 -4.654 1.815 171 H ASN 24 HN ASN 24 6.482 -5.780 -2.157 172 HA ASN 24 HA ASN 24 8.699 -6.593 -3.730 173 1HB ASN 24 HB1 ASN 24 5.837 -5.797 -4.340 174 2HB ASN 24 HB2 ASN 24 6.905 -6.477 -5.568 175 1HD2 ASN 24 HD22 ASN 24 7.033 -8.740 -5.639 176 2HD2 ASN 24 HD21 ASN 24 6.468 -9.776 -4.419 177 H GLU 25 HN GLU 25 9.298 -5.608 -5.894 178 HA GLU 25 HA GLU 25 10.373 -3.019 -5.672 179 1HB GLU 25 HB2 GLU 25 10.261 -5.117 -7.516 180 2HB GLU 25 HB1 GLU 25 9.552 -3.758 -8.388 181 1HG GLU 25 HG2 GLU 25 11.764 -2.672 -7.050 182 2HG GLU 25 HG1 GLU 25 12.328 -4.227 -7.661 183 H LYS 26 HN LYS 26 7.137 -4.021 -6.650 184 HA LYS 26 HA LYS 26 6.376 -1.414 -7.724 185 1HB LYS 26 HB1 LYS 26 5.105 -4.056 -7.078 186 2HB LYS 26 HB2 LYS 26 4.052 -2.667 -7.346 187 1HG LYS 26 HG1 LYS 26 5.028 -2.288 -9.541 188 2HG LYS 26 HG2 LYS 26 6.223 -3.557 -9.268 189 1HD LYS 26 HD1 LYS 26 4.374 -5.213 -9.072 190 2HD LYS 26 HD2 LYS 26 3.216 -3.933 -9.433 191 1HE LYS 26 HE2 LYS 26 5.464 -4.175 -11.358 192 2HE LYS 26 HE1 LYS 26 4.308 -5.521 -11.355 193 1HZ LYS 26 HZ1 LYS 26 3.688 -3.528 -12.767 194 2HZ LYS 26 HZ2 LYS 26 3.459 -2.677 -11.316 195 3HZ LYS 26 HZ3 LYS 26 2.511 -4.044 -11.656 196 H GLU 27 HN GLU 27 5.740 -3.193 -4.682 197 HA GLU 27 HA GLU 27 4.090 -1.161 -3.496 198 1HB GLU 27 HB2 GLU 27 5.876 -3.284 -2.250 199 2HB GLU 27 HB1 GLU 27 4.533 -2.469 -1.447 200 1HG GLU 27 HG2 GLU 27 3.042 -3.344 -3.315 201 2HG GLU 27 HG1 GLU 27 4.402 -4.349 -3.817 202 H LYS 28 HN LYS 28 7.597 -1.861 -3.207 203 HA LYS 28 HA LYS 28 8.329 0.070 -1.297 204 1HB LYS 28 HB2 LYS 28 9.688 -0.887 -3.843 205 2HB LYS 28 HB1 LYS 28 10.514 0.040 -2.591 206 1HG LYS 28 HG2 LYS 28 10.090 -1.700 -0.948 207 2HG LYS 28 HG1 LYS 28 9.092 -2.592 -2.097 208 1HD LYS 28 HD2 LYS 28 11.232 -3.657 -2.137 209 2HD LYS 28 HD1 LYS 28 11.161 -2.679 -3.603 210 1HE LYS 28 HE1 LYS 28 12.169 -1.076 -1.413 211 2HE LYS 28 HE2 LYS 28 13.138 -2.553 -1.586 212 1HZ LYS 28 HZ1 LYS 28 13.869 -0.770 -3.104 213 2HZ LYS 28 HZ2 LYS 28 12.332 -0.763 -3.825 214 3HZ LYS 28 HZ3 LYS 28 13.320 -2.139 -3.946 215 H GLU 29 HN GLU 29 7.852 0.484 -4.811 216 HA GLU 29 HA GLU 29 8.540 3.279 -4.900 217 1HB GLU 29 HB1 GLU 29 8.150 1.384 -6.725 218 2HB GLU 29 HB2 GLU 29 6.497 1.997 -6.698 219 1HG GLU 29 HG2 GLU 29 7.099 4.051 -7.572 220 2HG GLU 29 HG1 GLU 29 8.718 3.989 -6.876 221 H LEU 30 HN LEU 30 5.544 1.503 -4.252 222 HA LEU 30 HA LEU 30 3.690 3.670 -4.320 223 1HB LEU 30 HB1 LEU 30 3.839 0.910 -3.542 224 2HB LEU 30 HB2 LEU 30 3.093 1.799 -2.215 225 HG LEU 30 HG LEU 30 2.156 2.445 -4.971 226 1HD1 LEU 30 HD21 LEU 30 0.699 0.212 -3.745 227 2HD1 LEU 30 HD22 LEU 30 2.335 -0.220 -4.245 228 3HD1 LEU 30 HD23 LEU 30 1.199 0.440 -5.421 229 1HD2 LEU 30 HD11 LEU 30 1.314 2.745 -2.210 230 2HD2 LEU 30 HD12 LEU 30 0.046 1.980 -3.168 231 3HD2 LEU 30 HD13 LEU 30 0.694 3.548 -3.653 232 H CYS 31 HN CYS 31 5.626 2.342 -1.633 233 HA CYS 31 HA CYS 31 4.712 4.263 0.323 234 1HB CYS 31 HB2 CYS 31 6.665 2.060 0.012 235 2HB CYS 31 HB1 CYS 31 7.128 3.273 1.204 236 HG CYS 31 HG CYS 31 4.290 1.982 1.368 237 H GLN 32 HN GLN 32 7.686 4.022 -1.663 238 HA GLN 32 HA GLN 32 9.093 6.237 -0.633 239 1HB GLN 32 HB2 GLN 32 8.834 5.054 -3.418 240 2HB GLN 32 HB1 GLN 32 10.049 6.262 -3.004 241 1HG GLN 32 HG2 GLN 32 11.098 4.812 -1.428 242 2HG GLN 32 HG1 GLN 32 9.733 3.695 -1.437 243 1HE2 GLN 32 HE22 GLN 32 11.596 2.105 -2.002 244 2HE2 GLN 32 HE21 GLN 32 11.991 1.935 -3.644 245 H VAL 33 HN VAL 33 6.654 6.178 -3.251 246 HA VAL 33 HA VAL 33 6.700 8.966 -3.891 247 HB VAL 33 HB VAL 33 4.525 6.837 -3.948 248 1HG1 VAL 33 HG11 VAL 33 4.556 9.696 -4.783 249 2HG1 VAL 33 HG12 VAL 33 3.208 8.698 -4.238 250 3HG1 VAL 33 HG13 VAL 33 3.802 8.551 -5.892 251 1HG2 VAL 33 HG21 VAL 33 5.348 6.214 -5.992 252 2HG2 VAL 33 HG22 VAL 33 6.847 6.883 -5.347 253 3HG2 VAL 33 HG23 VAL 33 5.832 7.858 -6.411 254 H VAL 34 HN VAL 34 4.274 7.196 -1.962 255 HA VAL 34 HA VAL 34 3.709 9.667 -0.410 256 HB VAL 34 HB VAL 34 1.909 8.184 0.562 257 1HG1 VAL 34 HG21 VAL 34 2.075 8.362 -2.459 258 2HG1 VAL 34 HG22 VAL 34 1.409 9.581 -1.372 259 3HG1 VAL 34 HG23 VAL 34 0.599 8.025 -1.554 260 1HG2 VAL 34 HG11 VAL 34 2.182 6.147 -1.517 261 2HG2 VAL 34 HG12 VAL 34 1.870 5.956 0.209 262 3HG2 VAL 34 HG13 VAL 34 3.526 6.132 -0.373 263 H ARG 35 HN ARG 35 5.898 9.605 0.522 264 HA ARG 35 HA ARG 35 7.441 7.896 1.827 265 1HB ARG 35 HB2 ARG 35 6.279 10.484 2.883 266 2HB ARG 35 HB1 ARG 35 7.609 9.661 3.698 267 1HG ARG 35 HG2 ARG 35 9.103 10.358 2.154 268 2HG ARG 35 HG1 ARG 35 8.050 9.885 0.820 269 1HD ARG 35 HD2 ARG 35 7.141 11.992 0.626 270 2HD ARG 35 HD1 ARG 35 7.222 12.295 2.372 271 HE ARG 35 HE ARG 35 9.326 12.878 0.443 272 1HH1 ARG 35 HH11 ARG 35 8.651 11.936 3.725 273 2HH1 ARG 35 HH12 ARG 35 10.144 12.567 4.330 274 1HH2 ARG 35 HH21 ARG 35 11.257 13.690 1.250 275 2HH2 ARG 35 HH22 ARG 35 11.609 13.552 2.941 276 H LEU 36 HN LEU 36 6.470 5.974 2.538 277 HA LEU 36 HA LEU 36 5.039 6.153 5.166 278 1HB LEU 36 HB2 LEU 36 4.125 5.213 2.540 279 2HB LEU 36 HB1 LEU 36 3.934 3.988 3.793 280 HG LEU 36 HG LEU 36 3.098 6.400 4.979 281 1HD1 LEU 36 HD21 LEU 36 2.690 7.636 3.064 282 2HD1 LEU 36 HD22 LEU 36 1.161 6.765 3.186 283 3HD1 LEU 36 HD23 LEU 36 2.410 6.203 2.075 284 1HD2 LEU 36 HD11 LEU 36 2.258 3.895 4.985 285 2HD2 LEU 36 HD12 LEU 36 1.160 4.478 3.733 286 3HD2 LEU 36 HD13 LEU 36 1.133 5.206 5.340 287 H VAL 37 HN VAL 37 6.336 5.003 6.585 288 HA VAL 37 HA VAL 37 8.436 3.249 5.951 289 HB VAL 37 HB VAL 37 7.903 2.302 8.294 290 1HG1 VAL 37 HG21 VAL 37 9.306 3.947 8.899 291 2HG1 VAL 37 HG22 VAL 37 7.977 5.107 8.880 292 3HG1 VAL 37 HG23 VAL 37 8.911 4.811 7.413 293 1HG2 VAL 37 HG11 VAL 37 6.239 4.360 9.213 294 2HG2 VAL 37 HG12 VAL 37 5.830 2.651 9.081 295 3HG2 VAL 37 HG13 VAL 37 5.447 3.754 7.765 296 HA PRO 38 HA PRO 38 6.719 -0.418 4.376 297 1HB PRO 38 HB2 PRO 38 8.299 -2.069 6.254 298 2HB PRO 38 HB1 PRO 38 8.381 -1.991 4.488 299 1HG PRO 38 HG2 PRO 38 10.290 -0.964 6.084 300 2HG PRO 38 HG1 PRO 38 9.883 -0.272 4.509 301 1HD PRO 38 HD1 PRO 38 9.198 0.694 7.237 302 2HD PRO 38 HD2 PRO 38 9.543 1.621 5.760 303 H GLY 39 HN GLY 39 7.310 -1.285 7.811 304 1HA GLY 39 HA1 GLY 39 5.165 -3.009 8.175 305 2HA GLY 39 HA2 GLY 39 5.792 -1.998 9.471 306 H ALA 40 HN ALA 40 5.076 0.532 8.213 307 HA ALA 40 HA ALA 40 2.389 0.869 9.140 308 1HB ALA 40 HB1 ALA 40 2.643 3.014 7.745 309 2HB ALA 40 HB2 ALA 40 4.218 2.386 7.257 310 3HB ALA 40 HB3 ALA 40 3.896 2.737 8.955 311 H TYR 41 HN TYR 41 3.343 1.454 5.759 312 HA TYR 41 HA TYR 41 0.901 1.030 4.494 313 1HB TYR 41 HB2 TYR 41 2.954 1.834 3.425 314 2HB TYR 41 HB1 TYR 41 3.720 0.264 3.646 315 HD1 TYR 41 HD1 TYR 41 2.633 -1.777 2.523 316 HD2 TYR 41 HD2 TYR 41 1.651 2.279 1.505 317 HE1 TYR 41 HE1 TYR 41 1.684 -2.548 0.366 318 HE2 TYR 41 HE2 TYR 41 0.703 1.507 -0.652 319 HH TYR 41 HH TYR 41 -0.316 -0.728 -1.514 320 H LEU 42 HN LEU 42 3.356 -1.441 5.274 321 HA LEU 42 HA LEU 42 2.121 -3.745 4.216 322 1HB LEU 42 HB1 LEU 42 4.372 -3.296 5.464 323 2HB LEU 42 HB2 LEU 42 3.441 -3.573 6.935 324 HG LEU 42 HG LEU 42 2.678 -5.764 5.706 325 1HD1 LEU 42 HD11 LEU 42 4.728 -4.660 3.945 326 2HD1 LEU 42 HD12 LEU 42 3.612 -5.995 3.657 327 3HD1 LEU 42 HD13 LEU 42 5.138 -6.286 4.492 328 1HD2 LEU 42 HD21 LEU 42 4.683 -5.099 7.564 329 2HD2 LEU 42 HD22 LEU 42 5.462 -6.197 6.423 330 3HD2 LEU 42 HD23 LEU 42 4.004 -6.704 7.278 331 H GLU 43 HN GLU 43 1.492 -1.984 7.230 332 HA GLU 43 HA GLU 43 -0.456 -3.934 8.220 333 1HB GLU 43 HB2 GLU 43 1.094 -2.231 9.468 334 2HB GLU 43 HB1 GLU 43 -0.171 -1.058 9.100 335 1HG GLU 43 HG1 GLU 43 -0.965 -1.834 11.127 336 2HG GLU 43 HG2 GLU 43 -1.729 -3.009 10.057 337 H TYR 44 HN TYR 44 -0.746 -0.513 7.145 338 HA TYR 44 HA TYR 44 -3.542 -0.320 7.016 339 1HB TYR 44 HB1 TYR 44 -1.260 0.827 5.401 340 2HB TYR 44 HB2 TYR 44 -2.930 1.284 5.045 341 HD1 TYR 44 HD1 TYR 44 -0.298 1.292 7.680 342 HD2 TYR 44 HD2 TYR 44 -4.171 2.704 6.509 343 HE1 TYR 44 HE1 TYR 44 -0.287 2.885 9.579 344 HE2 TYR 44 HE2 TYR 44 -4.168 4.298 8.406 345 HH TYR 44 HH TYR 44 -2.796 4.230 10.857 346 H LYS 45 HN LYS 45 -1.424 -1.158 4.233 347 HA LYS 45 HA LYS 45 -3.326 -2.015 2.373 348 1HB LYS 45 HB1 LYS 45 -0.617 -1.994 2.586 349 2HB LYS 45 HB2 LYS 45 -0.913 -3.722 2.769 350 1HG LYS 45 HG1 LYS 45 -2.497 -2.527 0.615 351 2HG LYS 45 HG2 LYS 45 -0.760 -2.357 0.359 352 1HD LYS 45 HD1 LYS 45 -0.457 -4.773 0.715 353 2HD LYS 45 HD2 LYS 45 -2.187 -4.955 1.007 354 1HE LYS 45 HE1 LYS 45 -2.259 -5.405 -1.244 355 2HE LYS 45 HE2 LYS 45 -2.173 -3.643 -1.412 356 1HZ LYS 45 HZ1 LYS 45 -0.398 -4.857 -2.639 357 2HZ LYS 45 HZ2 LYS 45 0.200 -5.419 -1.152 358 3HZ LYS 45 HZ3 LYS 45 0.203 -3.755 -1.496 359 H SER 46 HN SER 46 -1.917 -3.928 5.069 360 HA SER 46 HA SER 46 -3.271 -6.380 4.488 361 1HB SER 46 HB1 SER 46 -1.738 -5.102 6.632 362 2HB SER 46 HB2 SER 46 -2.973 -6.192 7.263 363 HG SER 46 HG SER 46 -2.127 -7.713 5.627 364 H ALA 47 HN ALA 47 -4.503 -3.371 5.653 365 HA ALA 47 HA ALA 47 -6.839 -4.588 7.009 366 1HB ALA 47 HB1 ALA 47 -6.921 -2.534 8.004 367 2HB ALA 47 HB2 ALA 47 -6.827 -1.700 6.453 368 3HB ALA 47 HB3 ALA 47 -5.352 -2.244 7.253 369 H LEU 48 HN LEU 48 -5.919 -3.071 3.985 370 HA LEU 48 HA LEU 48 -8.618 -2.663 2.977 371 1HB LEU 48 HB1 LEU 48 -5.854 -2.894 1.725 372 2HB LEU 48 HB2 LEU 48 -7.284 -2.530 0.780 373 HG LEU 48 HG LEU 48 -6.361 -0.417 1.233 374 1HD1 LEU 48 HD11 LEU 48 -8.836 -0.932 2.205 375 2HD1 LEU 48 HD12 LEU 48 -8.101 0.667 2.236 376 3HD1 LEU 48 HD13 LEU 48 -8.044 -0.359 3.669 377 1HD2 LEU 48 HD21 LEU 48 -4.983 -1.637 3.178 378 2HD2 LEU 48 HD22 LEU 48 -6.119 -0.716 4.158 379 3HD2 LEU 48 HD23 LEU 48 -5.063 0.108 3.009 380 H LEU 49 HN LEU 49 -6.201 -5.237 2.844 381 HA LEU 49 HA LEU 49 -7.677 -6.931 0.999 382 1HB LEU 49 HB1 LEU 49 -5.135 -6.763 2.212 383 2HB LEU 49 HB2 LEU 49 -5.826 -8.270 2.811 384 HG LEU 49 HG LEU 49 -6.507 -8.569 0.259 385 1HD1 LEU 49 HD11 LEU 49 -4.301 -7.676 -0.958 386 2HD1 LEU 49 HD12 LEU 49 -4.411 -6.442 0.297 387 3HD1 LEU 49 HD13 LEU 49 -5.750 -6.679 -0.826 388 1HD2 LEU 49 HD21 LEU 49 -4.621 -9.659 1.923 389 2HD2 LEU 49 HD22 LEU 49 -3.614 -9.045 0.612 390 3HD2 LEU 49 HD23 LEU 49 -4.909 -10.192 0.267 391 H ASN 50 HN ASN 50 -7.245 -6.847 4.549 392 HA ASN 50 HA ASN 50 -8.900 -9.160 5.062 393 1HB ASN 50 HB2 ASN 50 -7.123 -8.157 6.542 394 2HB ASN 50 HB1 ASN 50 -8.203 -6.794 6.840 395 1HD2 ASN 50 HD22 ASN 50 -10.289 -7.291 7.967 396 2HD2 ASN 50 HD21 ASN 50 -10.402 -8.667 8.955 397 H GLU 51 HN GLU 51 -9.536 -5.633 5.182 398 HA GLU 51 HA GLU 51 -12.239 -5.825 6.113 399 1HB GLU 51 HB1 GLU 51 -10.826 -3.786 6.111 400 2HB GLU 51 HB2 GLU 51 -10.850 -3.770 4.348 401 1HG GLU 51 HG1 GLU 51 -12.564 -2.258 4.915 402 2HG GLU 51 HG2 GLU 51 -13.442 -3.758 4.615 403 H CYS 52 HN CYS 52 -10.847 -5.869 2.833 404 HA CYS 52 HA CYS 52 -13.371 -5.757 1.435 405 1HB CYS 52 HB1 CYS 52 -11.215 -5.209 0.411 406 2HB CYS 52 HB2 CYS 52 -10.621 -6.843 0.715 407 HG CYS 52 HG CYS 52 -12.855 -6.149 -1.361 408 H HIS 53 HN HIS 53 -11.179 -8.509 2.176 409 HA HIS 53 HA HIS 53 -12.828 -10.597 1.199 410 1HB HIS 53 HB1 HIS 53 -10.386 -10.406 2.297 411 2HB HIS 53 HB2 HIS 53 -11.264 -10.924 3.737 412 HD1 HIS 53 HD1 HIS 53 -11.915 -13.361 3.884 413 HD2 HIS 53 HD2 HIS 53 -10.618 -12.305 0.066 414 HE1 HIS 53 HE1 HIS 53 -11.745 -15.516 2.564 415 H LYS 54 HN LYS 54 -12.974 -8.742 4.185 416 HA LYS 54 HA LYS 54 -14.783 -10.432 5.649 417 1HB LYS 54 HB2 LYS 54 -13.928 -7.545 5.654 418 2HB LYS 54 HB1 LYS 54 -15.215 -8.079 6.732 419 1HG LYS 54 HG1 LYS 54 -12.509 -9.437 6.572 420 2HG LYS 54 HG2 LYS 54 -12.876 -8.159 7.729 421 1HD LYS 54 HD2 LYS 54 -14.333 -10.811 7.486 422 2HD LYS 54 HD1 LYS 54 -13.203 -10.364 8.764 423 1HE LYS 54 HE2 LYS 54 -15.119 -8.276 8.621 424 2HE LYS 54 HE1 LYS 54 -16.022 -9.802 8.609 425 1HZ LYS 54 HZ1 LYS 54 -15.331 -8.926 10.873 426 2HZ LYS 54 HZ2 LYS 54 -13.736 -9.313 10.437 427 3HZ LYS 54 HZ3 LYS 54 -14.910 -10.536 10.535 428 H GLN 55 HN GLN 55 -15.467 -7.329 3.974 429 HA GLN 55 HA GLN 55 -18.338 -8.032 3.846 430 1HB GLN 55 HB1 GLN 55 -16.666 -5.612 3.085 431 2HB GLN 55 HB2 GLN 55 -18.420 -5.673 2.910 432 1HG GLN 55 HG2 GLN 55 -17.036 -6.250 5.537 433 2HG GLN 55 HG1 GLN 55 -17.545 -4.625 5.075 434 1HE2 GLN 55 HE22 GLN 55 -18.768 -5.728 7.322 435 2HE2 GLN 55 HE21 GLN 55 -20.369 -6.162 6.965 436 H GLY 56 HN GLY 56 -15.993 -9.222 2.093 437 1HA GLY 56 HA2 GLY 56 -16.094 -10.222 -0.053 438 2HA GLY 56 HA1 GLY 56 -17.600 -9.355 -0.350 439 H GLY 57 HN GLY 57 -17.441 -7.081 -0.976 440 1HA GLY 57 HA1 GLY 57 -14.795 -6.439 -2.218 441 2HA GLY 57 HA2 GLY 57 -16.339 -5.978 -2.936 442 H LEU 58 HN LEU 58 -14.649 -3.926 -2.579 443 HA LEU 58 HA LEU 58 -15.985 -2.336 -0.481 444 1HB LEU 58 HB1 LEU 58 -14.209 -3.429 0.755 445 2HB LEU 58 HB2 LEU 58 -13.033 -3.048 -0.497 446 HG LEU 58 HG LEU 58 -13.559 -0.579 -0.026 447 1HD1 LEU 58 HD11 LEU 58 -14.871 -1.902 2.364 448 2HD1 LEU 58 HD12 LEU 58 -15.643 -0.846 1.180 449 3HD1 LEU 58 HD13 LEU 58 -14.446 -0.190 2.298 450 1HD2 LEU 58 HD21 LEU 58 -11.736 -2.331 1.094 451 2HD2 LEU 58 HD22 LEU 58 -12.465 -1.574 2.510 452 3HD2 LEU 58 HD23 LEU 58 -11.701 -0.577 1.273 453 H ARG 59 HN ARG 59 -16.511 -0.530 -1.625 454 HA ARG 59 HA ARG 59 -15.514 0.287 -4.110 455 1HB ARG 59 HB1 ARG 59 -16.924 1.549 -1.789 456 2HB ARG 59 HB2 ARG 59 -16.358 2.611 -3.078 457 1HG ARG 59 HG2 ARG 59 -18.039 1.953 -4.428 458 2HG ARG 59 HG1 ARG 59 -17.615 0.257 -4.198 459 1HD ARG 59 HD2 ARG 59 -19.043 0.032 -2.324 460 2HD ARG 59 HD1 ARG 59 -19.127 1.786 -2.070 461 HE ARG 59 HE ARG 59 -20.105 1.441 -4.642 462 1HH1 ARG 59 HH22 ARG 59 -20.877 0.104 -1.521 463 2HH1 ARG 59 HH21 ARG 59 -22.544 -0.135 -1.914 464 1HH2 ARG 59 HH12 ARG 59 -22.271 1.121 -5.128 465 2HH2 ARG 59 HH11 ARG 59 -23.330 0.435 -3.942 466 H LEU 60 HN LEU 60 -14.217 2.234 -4.636 467 HA LEU 60 HA LEU 60 -11.669 2.256 -3.212 468 1HB LEU 60 HB2 LEU 60 -11.762 2.420 -5.631 469 2HB LEU 60 HB1 LEU 60 -12.883 3.776 -5.548 470 HG LEU 60 HG LEU 60 -11.156 5.209 -4.599 471 1HD1 LEU 60 HD11 LEU 60 -9.216 2.906 -4.876 472 2HD1 LEU 60 HD12 LEU 60 -10.038 3.258 -3.354 473 3HD1 LEU 60 HD13 LEU 60 -8.957 4.454 -4.066 474 1HD2 LEU 60 HD21 LEU 60 -10.029 5.551 -6.583 475 2HD2 LEU 60 HD22 LEU 60 -11.245 4.415 -7.167 476 3HD2 LEU 60 HD23 LEU 60 -9.623 3.843 -6.769 477 H ALA 61 HN ALA 61 -14.347 4.577 -3.703 478 HA ALA 61 HA ALA 61 -13.257 6.759 -2.222 479 1HB ALA 61 HB1 ALA 61 -15.796 7.230 -1.941 480 2HB ALA 61 HB2 ALA 61 -16.039 5.737 -2.849 481 3HB ALA 61 HB3 ALA 61 -15.185 7.091 -3.589 482 H GLN 62 HN GLN 62 -15.438 4.114 -1.176 483 HA GLN 62 HA GLN 62 -15.678 4.787 1.555 484 1HB GLN 62 HB1 GLN 62 -15.765 2.318 -0.136 485 2HB GLN 62 HB2 GLN 62 -15.709 2.094 1.612 486 1HG GLN 62 HG1 GLN 62 -17.635 4.095 0.488 487 2HG GLN 62 HG2 GLN 62 -18.031 2.382 0.359 488 1HE2 GLN 62 HE22 GLN 62 -17.969 1.126 2.491 489 2HE2 GLN 62 HE21 GLN 62 -18.382 1.951 3.916 490 H ALA 63 HN ALA 63 -13.006 3.299 -0.199 491 HA ALA 63 HA ALA 63 -11.529 2.338 2.073 492 1HB ALA 63 HB1 ALA 63 -11.242 1.793 -0.400 493 2HB ALA 63 HB2 ALA 63 -9.742 2.146 0.458 494 3HB ALA 63 HB3 ALA 63 -10.472 3.370 -0.577 495 H ARG 64 HN ARG 64 -11.401 5.397 0.230 496 HA ARG 64 HA ARG 64 -9.281 6.647 1.634 497 1HB ARG 64 HB2 ARG 64 -11.780 7.582 0.218 498 2HB ARG 64 HB1 ARG 64 -10.687 8.751 0.959 499 1HG ARG 64 HG1 ARG 64 -9.834 8.599 -1.217 500 2HG ARG 64 HG2 ARG 64 -8.829 7.439 -0.350 501 1HD ARG 64 HD2 ARG 64 -10.025 5.581 -1.223 502 2HD ARG 64 HD1 ARG 64 -11.397 6.597 -1.703 503 HE ARG 64 HE ARG 64 -8.944 6.240 -3.227 504 1HH1 ARG 64 HH22 ARG 64 -11.507 8.455 -2.420 505 2HH1 ARG 64 HH21 ARG 64 -11.337 9.358 -3.885 506 1HH2 ARG 64 HH12 ARG 64 -8.747 7.430 -5.122 507 2HH2 ARG 64 HH11 ARG 64 -9.788 8.785 -5.404 508 H ALA 65 HN ALA 65 -12.738 6.410 2.415 509 HA ALA 65 HA ALA 65 -12.475 8.070 4.822 510 1HB ALA 65 HB1 ALA 65 -14.632 6.327 3.592 511 2HB ALA 65 HB2 ALA 65 -14.536 8.088 3.573 512 3HB ALA 65 HB3 ALA 65 -14.880 7.239 5.080 513 H LEU 66 HN LEU 66 -11.684 4.845 4.099 514 HA LEU 66 HA LEU 66 -12.425 3.766 6.749 515 1HB LEU 66 HB2 LEU 66 -11.952 2.809 4.106 516 2HB LEU 66 HB1 LEU 66 -10.742 2.059 5.146 517 HG LEU 66 HG LEU 66 -13.691 2.124 5.818 518 1HD1 LEU 66 HD21 LEU 66 -13.620 0.777 3.882 519 2HD1 LEU 66 HD22 LEU 66 -13.448 -0.388 5.195 520 3HD1 LEU 66 HD23 LEU 66 -12.030 0.128 4.283 521 1HD2 LEU 66 HD11 LEU 66 -11.496 1.650 7.405 522 2HD2 LEU 66 HD12 LEU 66 -11.913 0.022 6.870 523 3HD2 LEU 66 HD13 LEU 66 -13.110 1.007 7.712 524 H ILE 67 HN ILE 67 -9.353 3.361 4.980 525 HA ILE 67 HA ILE 67 -7.893 3.599 7.546 526 HB ILE 67 HB ILE 67 -6.019 2.772 6.117 527 1HG1 ILE 67 HG12 ILE 67 -7.966 2.484 3.854 528 2HG1 ILE 67 HG11 ILE 67 -7.089 4.001 4.061 529 1HG2 ILE 67 HG21 ILE 67 -7.958 1.311 7.117 530 2HG2 ILE 67 HG22 ILE 67 -6.810 0.590 5.987 531 3HG2 ILE 67 HG23 ILE 67 -8.404 1.095 5.424 532 1HD1 ILE 67 HD11 ILE 67 -5.330 1.693 4.348 533 2HD1 ILE 67 HD12 ILE 67 -5.172 3.093 3.286 534 3HD1 ILE 67 HD13 ILE 67 -6.138 1.707 2.778 535 H LYS 68 HN LYS 68 -5.461 4.543 6.698 536 HA LYS 68 HA LYS 68 -4.280 6.559 6.399 537 1HB LYS 68 HB2 LYS 68 -6.479 6.689 4.317 538 2HB LYS 68 HB1 LYS 68 -5.095 7.779 4.333 539 1HG LYS 68 HG2 LYS 68 -4.873 4.753 4.255 540 2HG LYS 68 HG1 LYS 68 -4.762 5.794 2.833 541 1HD LYS 68 HD2 LYS 68 -2.535 5.823 3.310 542 2HD LYS 68 HD1 LYS 68 -2.990 7.011 4.531 543 1HE LYS 68 HE2 LYS 68 -3.459 4.846 5.995 544 2HE LYS 68 HE1 LYS 68 -2.298 4.112 4.874 545 1HZ LYS 68 HZ1 LYS 68 -1.257 5.227 6.834 546 2HZ LYS 68 HZ2 LYS 68 -1.860 6.707 6.259 547 3HZ LYS 68 HZ3 LYS 68 -0.731 5.835 5.337 548 H ILE 69 HN ILE 69 -5.124 9.115 5.733 549 HA ILE 69 HA ILE 69 -7.137 9.790 7.846 550 HB ILE 69 HB ILE 69 -5.459 11.799 8.205 551 1HG1 ILE 69 HG12 ILE 69 -3.107 11.177 7.834 552 2HG1 ILE 69 HG11 ILE 69 -3.616 9.683 7.049 553 1HG2 ILE 69 HG21 ILE 69 -5.711 10.447 10.053 554 2HG2 ILE 69 HG22 ILE 69 -4.032 10.095 9.645 555 3HG2 ILE 69 HG23 ILE 69 -5.308 8.979 9.163 556 1HD1 ILE 69 HD11 ILE 69 -4.295 10.757 5.137 557 2HD1 ILE 69 HD12 ILE 69 -3.064 11.906 5.660 558 3HD1 ILE 69 HD13 ILE 69 -4.763 12.221 6.006 559 H ASP 70 HN ASP 70 -6.259 10.191 4.602 560 HA ASP 70 HA ASP 70 -7.950 12.655 4.447 561 1HB ASP 70 HB1 ASP 70 -5.174 12.109 3.565 562 2HB ASP 70 HB2 ASP 70 -6.174 13.010 2.426 563 H VAL 71 HN VAL 71 -6.384 11.249 1.643 564 HA VAL 71 HA VAL 71 -8.595 9.547 0.847 565 HB VAL 71 HB VAL 71 -8.748 11.493 -1.178 566 1HG1 VAL 71 HG11 VAL 71 -10.527 10.689 1.101 567 2HG1 VAL 71 HG12 VAL 71 -10.641 10.257 -0.605 568 3HG1 VAL 71 HG13 VAL 71 -11.044 11.892 -0.081 569 1HG2 VAL 71 HG21 VAL 71 -9.282 12.972 1.385 570 2HG2 VAL 71 HG22 VAL 71 -9.084 13.611 -0.247 571 3HG2 VAL 71 HG23 VAL 71 -7.680 13.030 0.650 572 H ASN 72 HN ASN 72 -6.173 11.795 -0.491 573 HA ASN 72 HA ASN 72 -5.581 10.203 -2.807 574 1HB ASN 72 HB2 ASN 72 -5.046 12.690 -2.143 575 2HB ASN 72 HB1 ASN 72 -3.609 12.002 -1.387 576 1HD2 ASN 72 HD22 ASN 72 -5.170 12.670 -4.481 577 2HD2 ASN 72 HD21 ASN 72 -3.848 12.234 -5.451 578 H LYS 73 HN LYS 73 -4.619 10.085 0.524 579 HA LYS 73 HA LYS 73 -2.232 8.511 0.314 580 1HB LYS 73 HB2 LYS 73 -4.327 9.243 2.336 581 2HB LYS 73 HB1 LYS 73 -3.238 7.925 2.746 582 1HG LYS 73 HG2 LYS 73 -2.460 10.201 3.509 583 2HG LYS 73 HG1 LYS 73 -1.302 9.338 2.503 584 1HD LYS 73 HD1 LYS 73 -1.368 11.602 1.704 585 2HD LYS 73 HD2 LYS 73 -2.235 10.631 0.519 586 1HE LYS 73 HE1 LYS 73 -3.715 12.433 0.837 587 2HE LYS 73 HE2 LYS 73 -4.345 11.268 2.017 588 1HZ LYS 73 HZ1 LYS 73 -3.201 12.303 3.752 589 2HZ LYS 73 HZ2 LYS 73 -3.778 13.616 2.843 590 3HZ LYS 73 HZ3 LYS 73 -2.154 13.137 2.707 591 H THR 74 HN THR 74 -5.578 7.512 1.194 592 HA THR 74 HA THR 74 -5.084 4.685 0.845 593 HB THR 74 HB THR 74 -7.606 6.381 0.722 594 HG1 THR 74 HG1 THR 74 -7.726 6.014 2.851 595 1HG2 THR 74 HG21 THR 74 -7.109 3.449 0.565 596 2HG2 THR 74 HG22 THR 74 -8.414 4.407 -0.136 597 3HG2 THR 74 HG23 THR 74 -8.457 3.974 1.573 598 H ARG 75 HN ARG 75 -6.042 7.324 -1.278 599 HA ARG 75 HA ARG 75 -7.045 5.907 -3.502 600 1HB ARG 75 HB1 ARG 75 -7.037 8.357 -3.250 601 2HB ARG 75 HB2 ARG 75 -5.276 8.373 -3.319 602 1HG ARG 75 HG1 ARG 75 -5.230 7.805 -5.598 603 2HG ARG 75 HG2 ARG 75 -6.877 7.176 -5.570 604 1HD ARG 75 HD2 ARG 75 -7.775 9.443 -5.305 605 2HD ARG 75 HD1 ARG 75 -6.134 10.105 -5.204 606 HE ARG 75 HE ARG 75 -6.177 8.602 -7.564 607 1HH1 ARG 75 HH11 ARG 75 -7.953 11.289 -6.244 608 2HH1 ARG 75 HH12 ARG 75 -8.288 11.973 -7.797 609 1HH2 ARG 75 HH21 ARG 75 -6.625 9.510 -9.568 610 2HH2 ARG 75 HH22 ARG 75 -7.543 10.975 -9.666 611 H LYS 76 HN LYS 76 -3.684 6.414 -2.434 612 HA LYS 76 HA LYS 76 -2.597 5.218 -4.878 613 1HB LYS 76 HB2 LYS 76 -1.471 6.148 -2.230 614 2HB LYS 76 HB1 LYS 76 -0.458 5.463 -3.503 615 1HG LYS 76 HG2 LYS 76 -1.647 7.194 -5.043 616 2HG LYS 76 HG1 LYS 76 -2.080 7.995 -3.541 617 1HD LYS 76 HD2 LYS 76 -0.015 8.888 -3.402 618 2HD LYS 76 HD1 LYS 76 0.693 7.273 -3.426 619 1HE LYS 76 HE1 LYS 76 1.470 7.653 -5.520 620 2HE LYS 76 HE2 LYS 76 -0.188 7.923 -6.089 621 1HZ LYS 76 HZ1 LYS 76 -0.067 10.183 -5.206 622 2HZ LYS 76 HZ2 LYS 76 1.148 9.924 -6.363 623 3HZ LYS 76 HZ3 LYS 76 1.535 9.920 -4.710 624 H ILE 77 HN ILE 77 -2.617 4.269 -1.410 625 HA ILE 77 HA ILE 77 -1.527 1.658 -1.777 626 HB ILE 77 HB ILE 77 -3.563 2.699 0.235 627 1HG1 ILE 77 HG12 ILE 77 -0.530 2.702 0.260 628 2HG1 ILE 77 HG11 ILE 77 -1.567 4.118 0.165 629 1HG2 ILE 77 HG21 ILE 77 -1.555 0.685 1.033 630 2HG2 ILE 77 HG22 ILE 77 -2.755 0.104 -0.122 631 3HG2 ILE 77 HG23 ILE 77 -3.273 0.777 1.424 632 1HD1 ILE 77 HD11 ILE 77 -1.357 4.166 2.426 633 2HD1 ILE 77 HD12 ILE 77 -0.831 2.484 2.503 634 3HD1 ILE 77 HD13 ILE 77 -2.550 2.867 2.400 635 H TYR 78 HN TYR 78 -4.958 2.570 -1.322 636 HA TYR 78 HA TYR 78 -6.100 0.066 -1.911 637 1HB TYR 78 HB1 TYR 78 -7.004 2.446 -1.100 638 2HB TYR 78 HB2 TYR 78 -7.438 2.588 -2.803 639 HD1 TYR 78 HD1 TYR 78 -7.813 0.407 0.205 640 HD2 TYR 78 HD2 TYR 78 -9.281 1.394 -3.701 641 HE1 TYR 78 HE1 TYR 78 -9.787 -1.057 0.563 642 HE2 TYR 78 HE2 TYR 78 -11.250 -0.054 -3.336 643 HH TYR 78 HH TYR 78 -11.988 -1.826 -2.018 644 H ASP 79 HN ASP 79 -5.403 2.775 -4.200 645 HA ASP 79 HA ASP 79 -6.474 1.648 -6.547 646 1HB ASP 79 HB2 ASP 79 -5.554 3.871 -6.524 647 2HB ASP 79 HB1 ASP 79 -3.973 3.286 -6.012 648 H PHE 80 HN PHE 80 -3.429 0.899 -4.894 649 HA PHE 80 HA PHE 80 -2.324 -0.823 -6.900 650 1HB PHE 80 HB2 PHE 80 -1.240 0.201 -4.824 651 2HB PHE 80 HB1 PHE 80 -2.062 -1.043 -3.883 652 HD1 PHE 80 HD1 PHE 80 -0.075 -0.828 -7.067 653 HD2 PHE 80 HD2 PHE 80 -0.815 -2.945 -3.404 654 HE1 PHE 80 HE1 PHE 80 1.712 -2.447 -7.643 655 HE2 PHE 80 HE2 PHE 80 0.974 -4.564 -3.980 656 HZ PHE 80 HZ PHE 80 2.235 -4.315 -6.099 657 H LEU 81 HN LEU 81 -4.333 -1.537 -4.008 658 HA LEU 81 HA LEU 81 -4.561 -4.360 -4.559 659 1HB LEU 81 HB1 LEU 81 -6.438 -2.482 -3.078 660 2HB LEU 81 HB2 LEU 81 -6.345 -4.229 -2.873 661 HG LEU 81 HG LEU 81 -3.733 -2.984 -2.551 662 1HD1 LEU 81 HD21 LEU 81 -4.788 -2.235 -0.124 663 2HD1 LEU 81 HD22 LEU 81 -6.066 -1.748 -1.236 664 3HD1 LEU 81 HD23 LEU 81 -4.432 -1.120 -1.442 665 1HD2 LEU 81 HD11 LEU 81 -4.116 -5.218 -1.790 666 2HD2 LEU 81 HD12 LEU 81 -5.573 -4.744 -0.916 667 3HD2 LEU 81 HD13 LEU 81 -3.989 -4.236 -0.330 668 H ILE 82 HN ILE 82 -6.628 -1.573 -5.368 669 HA ILE 82 HA ILE 82 -8.820 -2.990 -6.530 670 HB ILE 82 HB ILE 82 -7.592 -0.251 -7.028 671 1HG1 ILE 82 HG11 ILE 82 -8.386 -0.809 -4.698 672 2HG1 ILE 82 HG12 ILE 82 -9.195 0.567 -5.443 673 1HG2 ILE 82 HG21 ILE 82 -9.033 -0.073 -8.753 674 2HG2 ILE 82 HG22 ILE 82 -10.334 -0.124 -7.564 675 3HG2 ILE 82 HG23 ILE 82 -9.801 -1.609 -8.353 676 1HD1 ILE 82 HD11 ILE 82 -10.401 -1.760 -4.375 677 2HD1 ILE 82 HD12 ILE 82 -10.605 -1.855 -6.125 678 3HD1 ILE 82 HD13 ILE 82 -11.191 -0.441 -5.242 679 H ARG 83 HN ARG 83 -6.429 -1.070 -8.346 680 HA ARG 83 HA ARG 83 -6.897 -2.068 -10.901 681 1HB ARG 83 HB1 ARG 83 -4.556 -0.960 -9.396 682 2HB ARG 83 HB2 ARG 83 -4.278 -1.555 -11.024 683 1HG ARG 83 HG2 ARG 83 -4.828 0.896 -10.898 684 2HG ARG 83 HG1 ARG 83 -5.914 -0.037 -11.911 685 1HD ARG 83 HD1 ARG 83 -7.541 -0.161 -10.005 686 2HD ARG 83 HD2 ARG 83 -6.473 0.905 -9.069 687 HE ARG 83 HE ARG 83 -7.088 1.922 -11.745 688 1HH1 ARG 83 HH22 ARG 83 -8.094 1.755 -8.416 689 2HH1 ARG 83 HH21 ARG 83 -9.021 3.211 -8.510 690 1HH2 ARG 83 HH12 ARG 83 -8.298 3.808 -11.841 691 2HH2 ARG 83 HH11 ARG 83 -9.137 4.367 -10.433 692 H GLU 84 HN GLU 84 -5.026 -3.566 -8.295 693 HA GLU 84 HA GLU 84 -4.121 -5.767 -10.058 694 1HB GLU 84 HB1 GLU 84 -3.793 -5.123 -7.103 695 2HB GLU 84 HB2 GLU 84 -3.014 -6.482 -7.912 696 1HG GLU 84 HG1 GLU 84 -1.927 -4.874 -9.483 697 2HG GLU 84 HG2 GLU 84 -2.637 -3.544 -8.568 698 H GLY 85 HN GLY 85 -4.383 -8.025 -8.766 699 1HA GLY 85 HA1 GLY 85 -7.302 -8.402 -8.490 700 2HA GLY 85 HA2 GLY 85 -6.105 -9.688 -8.635 701 H TYR 86 HN TYR 86 -6.564 -6.954 -6.343 702 HA TYR 86 HA TYR 86 -6.097 -8.912 -4.125 703 1HB TYR 86 HB1 TYR 86 -5.617 -5.980 -4.597 704 2HB TYR 86 HB2 TYR 86 -5.763 -6.566 -2.940 705 HD1 TYR 86 HD1 TYR 86 -4.477 -9.040 -2.733 706 HD2 TYR 86 HD2 TYR 86 -3.408 -5.761 -5.294 707 HE1 TYR 86 HE1 TYR 86 -2.142 -9.870 -2.821 708 HE2 TYR 86 HE2 TYR 86 -1.073 -6.591 -5.381 709 HH TYR 86 HH TYR 86 -0.080 -9.334 -4.910 710 H ILE 87 HN ILE 87 -7.811 -5.777 -4.332 711 HA ILE 87 HA ILE 87 -10.165 -7.110 -3.032 712 HB ILE 87 HB ILE 87 -10.487 -4.982 -1.853 713 1HG1 ILE 87 HG12 ILE 87 -8.135 -4.041 -3.525 714 2HG1 ILE 87 HG11 ILE 87 -9.787 -3.439 -3.602 715 1HG2 ILE 87 HG21 ILE 87 -8.779 -5.291 -0.332 716 2HG2 ILE 87 HG22 ILE 87 -7.536 -5.357 -1.582 717 3HG2 ILE 87 HG23 ILE 87 -8.563 -6.760 -1.284 718 1HD1 ILE 87 HD11 ILE 87 -8.595 -1.857 -2.269 719 2HD1 ILE 87 HD12 ILE 87 -7.806 -3.129 -1.335 720 3HD1 ILE 87 HD13 ILE 87 -9.531 -2.825 -1.131 721 H THR 88 HN THR 88 -12.265 -5.894 -3.533 722 HA THR 88 HA THR 88 -12.193 -4.939 -6.373 723 HB THR 88 HB THR 88 -14.601 -5.818 -6.306 724 HG1 THR 88 HG1 THR 88 -14.883 -7.358 -4.553 725 1HG2 THR 88 HG21 THR 88 -13.877 -8.193 -6.445 726 2HG2 THR 88 HG22 THR 88 -12.328 -7.744 -5.732 727 3HG2 THR 88 HG23 THR 88 -12.784 -7.119 -7.317 728 H LYS 89 HN LYS 89 -13.596 -3.184 -6.934 729 HA LYS 89 HA LYS 89 -13.980 -1.229 -4.786 730 1HB LYS 89 HB1 LYS 89 -14.832 -1.139 -7.705 731 2HB LYS 89 HB2 LYS 89 -14.559 0.235 -6.638 732 1HG LYS 89 HG2 LYS 89 -12.262 0.066 -6.762 733 2HG LYS 89 HG1 LYS 89 -12.291 -1.669 -7.067 734 1HD LYS 89 HD2 LYS 89 -11.699 -0.785 -9.161 735 2HD LYS 89 HD1 LYS 89 -13.441 -1.014 -9.313 736 1HE LYS 89 HE1 LYS 89 -13.634 1.434 -8.460 737 2HE LYS 89 HE2 LYS 89 -11.915 1.558 -8.879 738 1HZ LYS 89 HZ1 LYS 89 -12.380 0.837 -11.091 739 2HZ LYS 89 HZ2 LYS 89 -13.460 2.101 -10.745 740 3HZ LYS 89 HZ3 LYS 89 -13.998 0.490 -10.712 741 H ALA 90 HN ALA 90 -16.204 -2.575 -7.263 742 HA ALA 90 HA ALA 90 -18.532 -2.964 -7.165 743 1HB ALA 90 HB1 ALA 90 -17.208 -4.195 -5.051 744 2HB ALA 90 HB2 ALA 90 -18.879 -4.505 -5.520 745 3HB ALA 90 HB3 ALA 90 -18.523 -3.337 -4.249 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -24.690 4.174 6.292 2 2H GLY 1 HT2 GLY 1 -23.254 3.625 5.570 3 3H GLY 1 HT3 GLY 1 -24.118 2.610 6.622 4 1HA GLY 1 HA1 GLY 1 -24.691 1.797 4.545 5 2HA GLY 1 HA2 GLY 1 -26.039 2.850 4.976 6 H SER 2 HN SER 2 -25.427 5.304 4.381 7 HA SER 2 HA SER 2 -24.694 5.239 1.488 8 1HB SER 2 HB2 SER 2 -26.262 7.095 3.302 9 2HB SER 2 HB1 SER 2 -25.840 7.546 1.650 10 HG SER 2 HG SER 2 -27.141 5.122 2.297 11 H ASN 3 HN ASN 3 -22.776 5.353 3.885 12 HA ASN 3 HA ASN 3 -21.147 7.603 2.836 13 1HB ASN 3 HB2 ASN 3 -20.862 8.480 5.145 14 2HB ASN 3 HB1 ASN 3 -22.559 8.505 4.665 15 1HD2 ASN 3 HD21 ASN 3 -21.918 8.453 7.419 16 2HD2 ASN 3 HD22 ASN 3 -22.334 6.938 8.063 17 H SER 4 HN SER 4 -20.647 4.877 2.467 18 HA SER 4 HA SER 4 -18.488 4.269 4.459 19 1HB SER 4 HB1 SER 4 -20.644 2.780 3.239 20 2HB SER 4 HB2 SER 4 -19.105 2.037 2.805 21 HG SER 4 HG SER 4 -20.336 1.678 5.008 22 H GLY 5 HN GLY 5 -18.391 6.007 1.938 23 1HA GLY 5 HA2 GLY 5 -15.940 5.929 0.984 24 2HA GLY 5 HA1 GLY 5 -16.497 4.405 0.293 25 H ARG 6 HN ARG 6 -17.418 4.530 -1.703 26 HA ARG 6 HA ARG 6 -18.901 6.970 -2.499 27 1HB ARG 6 HB2 ARG 6 -16.385 7.208 -2.937 28 2HB ARG 6 HB1 ARG 6 -16.565 5.913 -4.121 29 1HG ARG 6 HG2 ARG 6 -17.161 7.499 -5.613 30 2HG ARG 6 HG1 ARG 6 -18.654 7.688 -4.694 31 1HD ARG 6 HD1 ARG 6 -16.215 9.103 -3.681 32 2HD ARG 6 HD2 ARG 6 -17.041 9.774 -5.100 33 HE ARG 6 HE ARG 6 -18.916 9.007 -3.017 34 1HH1 ARG 6 HH21 ARG 6 -16.698 11.482 -4.053 35 2HH1 ARG 6 HH22 ARG 6 -17.532 12.738 -3.206 36 1HH2 ARG 6 HH12 ARG 6 -19.981 10.655 -1.926 37 2HH2 ARG 6 HH11 ARG 6 -19.376 12.276 -2.011 38 H ARG 7 HN ARG 7 -17.434 4.039 -3.974 39 HA ARG 7 HA ARG 7 -20.169 3.276 -4.927 40 1HB ARG 7 HB2 ARG 7 -19.042 2.667 -7.095 41 2HB ARG 7 HB1 ARG 7 -18.961 4.392 -6.740 42 1HG ARG 7 HG2 ARG 7 -16.686 4.153 -5.894 43 2HG ARG 7 HG1 ARG 7 -16.763 2.403 -6.096 44 1HD ARG 7 HD1 ARG 7 -17.485 3.661 -8.588 45 2HD ARG 7 HD2 ARG 7 -15.935 4.315 -8.027 46 HE ARG 7 HE ARG 7 -16.014 1.463 -7.624 47 1HH1 ARG 7 HH21 ARG 7 -15.695 3.891 -10.099 48 2HH1 ARG 7 HH22 ARG 7 -14.774 2.865 -11.141 49 1HH2 ARG 7 HH11 ARG 7 -14.816 0.150 -8.996 50 2HH2 ARG 7 HH12 ARG 7 -14.278 0.763 -10.524 51 H SER 8 HN SER 8 -20.047 0.912 -5.806 52 HA SER 8 HA SER 8 -18.906 -0.762 -3.697 53 1HB SER 8 HB1 SER 8 -20.689 -1.006 -6.084 54 2HB SER 8 HB2 SER 8 -19.908 -2.483 -5.518 55 HG SER 8 HG SER 8 -21.769 -2.318 -4.376 56 H ALA 9 HN ALA 9 -17.728 -2.853 -4.481 57 HA ALA 9 HA ALA 9 -16.145 -2.799 -6.892 58 1HB ALA 9 HB1 ALA 9 -14.709 -1.172 -6.179 59 2HB ALA 9 HB2 ALA 9 -14.046 -2.420 -5.124 60 3HB ALA 9 HB3 ALA 9 -15.264 -1.302 -4.511 61 HA PRO 10 HA PRO 10 -14.965 -6.940 -6.000 62 1HB PRO 10 HB2 PRO 10 -12.191 -6.060 -5.354 63 2HB PRO 10 HB1 PRO 10 -12.724 -7.340 -6.451 64 1HG PRO 10 HG1 PRO 10 -11.859 -4.933 -7.305 65 2HG PRO 10 HG2 PRO 10 -13.074 -5.877 -8.168 66 1HD PRO 10 HD2 PRO 10 -13.383 -3.392 -6.677 67 2HD PRO 10 HD1 PRO 10 -14.446 -4.123 -7.883 68 HA PRO 11 HA PRO 11 -15.314 -6.397 -1.526 69 1HB PRO 11 HB2 PRO 11 -16.517 -9.079 -1.547 70 2HB PRO 11 HB1 PRO 11 -17.257 -7.533 -1.100 71 1HG PRO 11 HG1 PRO 11 -17.912 -8.905 -3.343 72 2HG PRO 11 HG2 PRO 11 -18.017 -7.143 -3.213 73 1HD PRO 11 HD1 PRO 11 -15.942 -8.825 -4.547 74 2HD PRO 11 HD2 PRO 11 -16.624 -7.263 -5.049 75 H LEU 12 HN LEU 12 -13.167 -6.664 -0.847 76 HA LEU 12 HA LEU 12 -12.204 -9.490 -0.561 77 1HB LEU 12 HB1 LEU 12 -10.876 -6.887 -1.267 78 2HB LEU 12 HB2 LEU 12 -9.929 -8.154 -0.487 79 HG LEU 12 HG LEU 12 -11.289 -9.554 -2.433 80 1HD1 LEU 12 HD21 LEU 12 -10.731 -8.108 -4.499 81 2HD1 LEU 12 HD22 LEU 12 -10.697 -6.750 -3.373 82 3HD1 LEU 12 HD23 LEU 12 -12.177 -7.688 -3.581 83 1HD2 LEU 12 HD11 LEU 12 -8.955 -8.996 -3.694 84 2HD2 LEU 12 HD12 LEU 12 -9.068 -10.109 -2.331 85 3HD2 LEU 12 HD13 LEU 12 -8.560 -8.442 -2.067 86 H ASN 13 HN ASN 13 -11.078 -6.436 0.783 87 HA ASN 13 HA ASN 13 -11.958 -7.235 3.504 88 1HB ASN 13 HB1 ASN 13 -9.531 -7.969 2.730 89 2HB ASN 13 HB2 ASN 13 -9.146 -6.277 3.048 90 1HD2 ASN 13 HD22 ASN 13 -7.825 -7.874 4.742 91 2HD2 ASN 13 HD21 ASN 13 -8.564 -7.966 6.268 92 H LEU 14 HN LEU 14 -10.296 -4.822 1.525 93 HA LEU 14 HA LEU 14 -10.601 -2.567 3.232 94 1HB LEU 14 HB1 LEU 14 -9.639 -3.214 0.663 95 2HB LEU 14 HB2 LEU 14 -10.861 -1.973 0.390 96 HG LEU 14 HG LEU 14 -9.706 -0.702 2.331 97 1HD1 LEU 14 HD11 LEU 14 -7.840 -2.974 1.800 98 2HD1 LEU 14 HD12 LEU 14 -8.189 -2.139 3.315 99 3HD1 LEU 14 HD13 LEU 14 -7.130 -1.392 2.119 100 1HD2 LEU 14 HD21 LEU 14 -9.107 0.521 0.536 101 2HD2 LEU 14 HD22 LEU 14 -9.138 -0.911 -0.495 102 3HD2 LEU 14 HD23 LEU 14 -7.668 -0.487 0.384 103 H THR 15 HN THR 15 -12.863 -4.165 1.062 104 HA THR 15 HA THR 15 -14.798 -2.015 0.933 105 HB THR 15 HB THR 15 -16.237 -4.158 0.322 106 HG1 THR 15 HG1 THR 15 -14.967 -5.751 1.070 107 1HG2 THR 15 HG21 THR 15 -14.437 -2.473 -1.082 108 2HG2 THR 15 HG22 THR 15 -15.782 -3.399 -1.746 109 3HG2 THR 15 HG23 THR 15 -14.169 -4.110 -1.680 110 H GLY 16 HN GLY 16 -15.461 -1.295 2.982 111 1HA GLY 16 HA1 GLY 16 -17.307 -1.623 4.587 112 2HA GLY 16 HA2 GLY 16 -16.871 -3.331 4.653 113 H LEU 17 HN LEU 17 -14.375 -0.884 4.646 114 HA LEU 17 HA LEU 17 -14.024 -1.238 7.597 115 1HB LEU 17 HB2 LEU 17 -12.066 -1.690 5.335 116 2HB LEU 17 HB1 LEU 17 -11.527 -1.454 6.992 117 HG LEU 17 HG LEU 17 -13.416 -3.619 6.018 118 1HD1 LEU 17 HD21 LEU 17 -10.895 -3.773 5.504 119 2HD1 LEU 17 HD22 LEU 17 -11.617 -5.135 6.360 120 3HD1 LEU 17 HD23 LEU 17 -10.673 -3.938 7.246 121 1HD2 LEU 17 HD11 LEU 17 -12.486 -4.196 8.591 122 2HD2 LEU 17 HD12 LEU 17 -14.109 -3.651 8.163 123 3HD2 LEU 17 HD13 LEU 17 -12.881 -2.478 8.637 124 HA PRO 18 HA PRO 18 -13.331 3.120 7.504 125 1HB PRO 18 HB1 PRO 18 -11.764 3.387 9.748 126 2HB PRO 18 HB2 PRO 18 -13.509 3.071 9.829 127 1HG PRO 18 HG2 PRO 18 -11.218 1.165 10.087 128 2HG PRO 18 HG1 PRO 18 -12.708 1.266 11.041 129 1HD PRO 18 HD1 PRO 18 -12.352 -0.549 9.067 130 2HD PRO 18 HD2 PRO 18 -13.943 0.140 9.454 131 H GLY 19 HN GLY 19 -11.852 4.341 6.380 132 1HA GLY 19 HA2 GLY 19 -9.547 5.142 6.077 133 2HA GLY 19 HA1 GLY 19 -8.984 3.522 6.483 134 H THR 20 HN THR 20 -10.973 2.155 4.821 135 HA THR 20 HA THR 20 -9.623 1.846 2.377 136 HB THR 20 HB THR 20 -12.615 1.693 2.903 137 HG1 THR 20 HG1 THR 20 -12.181 -0.370 3.629 138 1HG2 THR 20 HG21 THR 20 -12.727 0.896 0.802 139 2HG2 THR 20 HG22 THR 20 -11.641 -0.415 1.262 140 3HG2 THR 20 HG23 THR 20 -10.984 1.089 0.617 141 H GLU 21 HN GLU 21 -12.069 4.214 3.307 142 HA GLU 21 HA GLU 21 -12.352 5.353 0.632 143 1HB GLU 21 HB1 GLU 21 -14.177 5.450 2.221 144 2HB GLU 21 HB2 GLU 21 -13.138 6.161 3.454 145 1HG GLU 21 HG2 GLU 21 -14.607 7.858 2.370 146 2HG GLU 21 HG1 GLU 21 -12.898 8.200 2.106 147 H LYS 22 HN LYS 22 -10.425 5.985 3.533 148 HA LYS 22 HA LYS 22 -9.411 8.568 2.823 149 1HB LYS 22 HB2 LYS 22 -8.664 6.267 4.588 150 2HB LYS 22 HB1 LYS 22 -7.429 7.488 4.289 151 1HG LYS 22 HG1 LYS 22 -9.370 9.172 4.857 152 2HG LYS 22 HG2 LYS 22 -10.087 7.772 5.656 153 1HD LYS 22 HD2 LYS 22 -7.937 7.462 6.911 154 2HD LYS 22 HD1 LYS 22 -7.350 8.963 6.196 155 1HE LYS 22 HE2 LYS 22 -9.935 9.517 7.255 156 2HE LYS 22 HE1 LYS 22 -9.031 8.643 8.506 157 1HZ LYS 22 HZ1 LYS 22 -8.127 11.029 6.976 158 2HZ LYS 22 HZ2 LYS 22 -7.121 10.124 8.002 159 3HZ LYS 22 HZ3 LYS 22 -8.457 10.956 8.640 160 H LEU 23 HN LEU 23 -8.584 5.312 1.801 161 HA LEU 23 HA LEU 23 -6.007 5.950 0.632 162 1HB LEU 23 HB1 LEU 23 -8.015 3.741 0.038 163 2HB LEU 23 HB2 LEU 23 -6.300 3.711 -0.370 164 HG LEU 23 HG LEU 23 -7.445 3.867 2.435 165 1HD1 LEU 23 HD21 LEU 23 -7.173 1.661 0.749 166 2HD1 LEU 23 HD22 LEU 23 -7.330 1.612 2.505 167 3HD1 LEU 23 HD23 LEU 23 -5.731 1.605 1.762 168 1HD2 LEU 23 HD11 LEU 23 -4.661 3.989 1.305 169 2HD2 LEU 23 HD12 LEU 23 -4.933 3.313 2.912 170 3HD2 LEU 23 HD13 LEU 23 -5.389 4.982 2.567 171 H ASN 24 HN ASN 24 -5.651 7.001 -1.292 172 HA ASN 24 HA ASN 24 -7.614 8.258 -2.851 173 1HB ASN 24 HB2 ASN 24 -4.910 7.123 -3.661 174 2HB ASN 24 HB1 ASN 24 -5.786 8.372 -4.544 175 1HD2 ASN 24 HD22 ASN 24 -4.023 9.926 -4.115 176 2HD2 ASN 24 HD21 ASN 24 -3.836 10.617 -2.577 177 H GLU 25 HN GLU 25 -8.424 7.709 -5.025 178 HA GLU 25 HA GLU 25 -9.655 5.189 -5.260 179 1HB GLU 25 HB1 GLU 25 -8.843 7.381 -7.173 180 2HB GLU 25 HB2 GLU 25 -9.646 5.933 -7.782 181 1HG GLU 25 HG2 GLU 25 -11.595 6.339 -6.489 182 2HG GLU 25 HG1 GLU 25 -10.768 7.511 -5.462 183 H LYS 26 HN LYS 26 -6.430 6.218 -6.281 184 HA LYS 26 HA LYS 26 -5.823 3.933 -7.934 185 1HB LYS 26 HB2 LYS 26 -4.522 6.278 -6.738 186 2HB LYS 26 HB1 LYS 26 -3.443 4.886 -6.839 187 1HG LYS 26 HG1 LYS 26 -3.128 5.764 -8.955 188 2HG LYS 26 HG2 LYS 26 -4.501 4.708 -9.282 189 1HD LYS 26 HD1 LYS 26 -5.673 6.510 -9.955 190 2HD LYS 26 HD2 LYS 26 -5.575 7.145 -8.312 191 1HE LYS 26 HE2 LYS 26 -3.638 8.426 -8.801 192 2HE LYS 26 HE1 LYS 26 -3.297 7.499 -10.275 193 1HZ LYS 26 HZ1 LYS 26 -4.375 9.588 -10.830 194 2HZ LYS 26 HZ2 LYS 26 -5.672 9.229 -9.794 195 3HZ LYS 26 HZ3 LYS 26 -5.414 8.292 -11.186 196 H GLU 27 HN GLU 27 -4.771 4.719 -4.588 197 HA GLU 27 HA GLU 27 -3.624 2.187 -3.986 198 1HB GLU 27 HB2 GLU 27 -5.077 4.152 -2.172 199 2HB GLU 27 HB1 GLU 27 -3.868 2.974 -1.663 200 1HG GLU 27 HG2 GLU 27 -2.329 4.142 -3.408 201 2HG GLU 27 HG1 GLU 27 -3.493 5.464 -3.318 202 H LYS 28 HN LYS 28 -6.960 3.309 -3.957 203 HA LYS 28 HA LYS 28 -8.233 1.346 -2.391 204 1HB LYS 28 HB2 LYS 28 -8.843 3.217 -4.574 205 2HB LYS 28 HB1 LYS 28 -9.906 1.810 -4.564 206 1HG LYS 28 HG1 LYS 28 -10.109 2.272 -2.010 207 2HG LYS 28 HG2 LYS 28 -9.490 3.875 -2.408 208 1HD LYS 28 HD2 LYS 28 -11.442 4.509 -3.372 209 2HD LYS 28 HD1 LYS 28 -11.630 2.965 -4.205 210 1HE LYS 28 HE1 LYS 28 -11.950 2.522 -1.386 211 2HE LYS 28 HE2 LYS 28 -13.016 3.850 -1.882 212 1HZ LYS 28 HZ1 LYS 28 -13.907 1.522 -2.243 213 2HZ LYS 28 HZ2 LYS 28 -12.729 1.348 -3.453 214 3HZ LYS 28 HZ3 LYS 28 -13.929 2.541 -3.602 215 H GLU 29 HN GLU 29 -7.586 1.235 -5.918 216 HA GLU 29 HA GLU 29 -8.516 -1.465 -6.273 217 1HB GLU 29 HB2 GLU 29 -7.443 0.715 -7.784 218 2HB GLU 29 HB1 GLU 29 -6.490 -0.718 -8.173 219 1HG GLU 29 HG2 GLU 29 -8.962 -1.803 -8.233 220 2HG GLU 29 HG1 GLU 29 -9.361 -0.150 -8.701 221 H LEU 30 HN LEU 30 -5.245 -0.089 -5.820 222 HA LEU 30 HA LEU 30 -3.697 -2.419 -6.095 223 1HB LEU 30 HB2 LEU 30 -2.813 -0.147 -5.804 224 2HB LEU 30 HB1 LEU 30 -3.463 -0.079 -4.166 225 HG LEU 30 HG LEU 30 -1.939 -2.440 -4.254 226 1HD1 LEU 30 HD11 LEU 30 -0.407 -0.118 -5.461 227 2HD1 LEU 30 HD12 LEU 30 -0.936 -1.539 -6.362 228 3HD1 LEU 30 HD13 LEU 30 0.242 -1.708 -5.060 229 1HD2 LEU 30 HD21 LEU 30 -0.321 -0.775 -2.929 230 2HD2 LEU 30 HD22 LEU 30 -1.861 -1.300 -2.247 231 3HD2 LEU 30 HD23 LEU 30 -1.734 0.277 -3.028 232 H CYS 31 HN CYS 31 -5.519 -1.268 -3.255 233 HA CYS 31 HA CYS 31 -4.627 -3.476 -1.554 234 1HB CYS 31 HB2 CYS 31 -6.080 -0.980 -1.391 235 2HB CYS 31 HB1 CYS 31 -7.009 -2.248 -0.591 236 HG CYS 31 HG CYS 31 -4.586 -0.978 0.575 237 H GLN 32 HN GLN 32 -7.593 -2.671 -3.375 238 HA GLN 32 HA GLN 32 -9.206 -4.848 -2.537 239 1HB GLN 32 HB1 GLN 32 -8.963 -3.201 -5.064 240 2HB GLN 32 HB2 GLN 32 -10.215 -4.432 -4.891 241 1HG GLN 32 HG1 GLN 32 -10.235 -2.939 -2.486 242 2HG GLN 32 HG2 GLN 32 -10.145 -1.761 -3.794 243 1HE2 GLN 32 HE22 GLN 32 -12.521 -2.031 -2.226 244 2HE2 GLN 32 HE21 GLN 32 -13.749 -2.667 -3.210 245 H VAL 33 HN VAL 33 -6.470 -4.749 -4.709 246 HA VAL 33 HA VAL 33 -7.005 -7.381 -5.915 247 HB VAL 33 HB VAL 33 -4.616 -5.494 -5.851 248 1HG1 VAL 33 HG11 VAL 33 -4.360 -7.132 -8.070 249 2HG1 VAL 33 HG12 VAL 33 -4.918 -8.245 -6.822 250 3HG1 VAL 33 HG13 VAL 33 -3.451 -7.300 -6.568 251 1HG2 VAL 33 HG21 VAL 33 -5.383 -4.635 -7.870 252 2HG2 VAL 33 HG22 VAL 33 -6.914 -4.976 -7.063 253 3HG2 VAL 33 HG23 VAL 33 -6.284 -6.098 -8.268 254 H VAL 34 HN VAL 34 -4.388 -6.061 -3.865 255 HA VAL 34 HA VAL 34 -3.802 -8.739 -2.770 256 HB VAL 34 HB VAL 34 -1.998 -7.134 -3.266 257 1HG1 VAL 34 HG11 VAL 34 -2.290 -4.934 -2.896 258 2HG1 VAL 34 HG12 VAL 34 -2.397 -5.232 -1.161 259 3HG1 VAL 34 HG13 VAL 34 -3.853 -5.277 -2.156 260 1HG2 VAL 34 HG21 VAL 34 -0.778 -7.556 -1.355 261 2HG2 VAL 34 HG22 VAL 34 -2.142 -8.634 -1.057 262 3HG2 VAL 34 HG23 VAL 34 -2.085 -7.050 -0.285 263 H ARG 35 HN ARG 35 -6.033 -8.945 -1.881 264 HA ARG 35 HA ARG 35 -7.589 -7.554 -0.235 265 1HB ARG 35 HB1 ARG 35 -7.926 -9.677 1.089 266 2HB ARG 35 HB2 ARG 35 -7.929 -9.904 -0.661 267 1HG ARG 35 HG2 ARG 35 -5.236 -10.040 0.222 268 2HG ARG 35 HG1 ARG 35 -6.184 -11.088 1.278 269 1HD ARG 35 HD2 ARG 35 -7.094 -12.281 -0.654 270 2HD ARG 35 HD1 ARG 35 -6.280 -11.162 -1.763 271 HE ARG 35 HE ARG 35 -4.236 -12.270 -1.300 272 1HH1 ARG 35 HH12 ARG 35 -6.665 -13.095 1.054 273 2HH1 ARG 35 HH11 ARG 35 -5.685 -14.308 1.801 274 1HH2 ARG 35 HH22 ARG 35 -2.984 -13.846 -0.314 275 2HH2 ARG 35 HH21 ARG 35 -3.615 -14.732 1.034 276 H LEU 36 HN LEU 36 -6.523 -5.848 0.876 277 HA LEU 36 HA LEU 36 -5.075 -6.691 3.371 278 1HB LEU 36 HB1 LEU 36 -4.027 -5.367 1.204 279 2HB LEU 36 HB2 LEU 36 -4.535 -4.018 2.216 280 HG LEU 36 HG LEU 36 -3.253 -6.065 3.818 281 1HD1 LEU 36 HD21 LEU 36 -1.059 -4.925 2.370 282 2HD1 LEU 36 HD22 LEU 36 -2.127 -5.726 1.218 283 3HD1 LEU 36 HD23 LEU 36 -1.462 -6.629 2.578 284 1HD2 LEU 36 HD11 LEU 36 -3.632 -3.385 3.921 285 2HD2 LEU 36 HD12 LEU 36 -1.969 -3.435 3.330 286 3HD2 LEU 36 HD13 LEU 36 -2.390 -4.219 4.854 287 H VAL 37 HN VAL 37 -5.137 -4.722 4.983 288 HA VAL 37 HA VAL 37 -7.952 -3.701 5.031 289 HB VAL 37 HB VAL 37 -7.461 -3.504 7.505 290 1HG1 VAL 37 HG21 VAL 37 -8.006 -5.717 7.862 291 2HG1 VAL 37 HG22 VAL 37 -6.772 -6.308 6.748 292 3HG1 VAL 37 HG23 VAL 37 -8.281 -5.645 6.121 293 1HG2 VAL 37 HG11 VAL 37 -5.022 -5.178 7.001 294 2HG2 VAL 37 HG12 VAL 37 -5.436 -4.207 8.415 295 3HG2 VAL 37 HG13 VAL 37 -4.908 -3.420 6.927 296 HA PRO 38 HA PRO 38 -6.654 0.409 4.612 297 1HB PRO 38 HB1 PRO 38 -8.209 1.757 6.423 298 2HB PRO 38 HB2 PRO 38 -8.786 1.145 4.864 299 1HG PRO 38 HG1 PRO 38 -9.002 -0.045 7.561 300 2HG PRO 38 HG2 PRO 38 -10.225 0.040 6.295 301 1HD PRO 38 HD1 PRO 38 -8.843 -2.202 6.824 302 2HD PRO 38 HD2 PRO 38 -9.318 -1.769 5.165 303 H GLY 39 HN GLY 39 -7.380 0.805 8.038 304 1HA GLY 39 HA1 GLY 39 -5.380 2.497 8.768 305 2HA GLY 39 HA2 GLY 39 -5.977 1.272 9.876 306 H ALA 40 HN ALA 40 -4.933 -0.984 8.278 307 HA ALA 40 HA ALA 40 -2.234 -1.018 9.374 308 1HB ALA 40 HB1 ALA 40 -4.093 -2.874 8.760 309 2HB ALA 40 HB2 ALA 40 -2.381 -3.260 8.909 310 3HB ALA 40 HB3 ALA 40 -3.084 -2.984 7.316 311 H TYR 41 HN TYR 41 -3.521 -1.099 6.022 312 HA TYR 41 HA TYR 41 -1.095 -0.889 4.608 313 1HB TYR 41 HB2 TYR 41 -3.307 -1.242 3.607 314 2HB TYR 41 HB1 TYR 41 -3.824 0.362 4.118 315 HD1 TYR 41 HD1 TYR 41 -2.871 2.388 3.072 316 HD2 TYR 41 HD2 TYR 41 -1.842 -1.551 1.703 317 HE1 TYR 41 HE1 TYR 41 -1.942 3.356 0.987 318 HE2 TYR 41 HE2 TYR 41 -0.913 -0.583 -0.383 319 HH TYR 41 HH TYR 41 -0.170 1.395 -1.318 320 H LEU 42 HN LEU 42 -3.188 1.780 5.770 321 HA LEU 42 HA LEU 42 -1.604 3.987 5.007 322 1HB LEU 42 HB2 LEU 42 -3.358 3.399 7.407 323 2HB LEU 42 HB1 LEU 42 -2.720 5.007 7.073 324 HG LEU 42 HG LEU 42 -3.868 3.904 4.667 325 1HD1 LEU 42 HD21 LEU 42 -5.896 3.108 5.295 326 2HD1 LEU 42 HD22 LEU 42 -6.099 4.361 6.520 327 3HD1 LEU 42 HD23 LEU 42 -5.172 2.909 6.890 328 1HD2 LEU 42 HD11 LEU 42 -3.502 6.285 5.123 329 2HD2 LEU 42 HD12 LEU 42 -4.640 6.215 6.471 330 3HD2 LEU 42 HD13 LEU 42 -5.214 5.981 4.820 331 H GLU 43 HN GLU 43 -1.315 1.820 7.804 332 HA GLU 43 HA GLU 43 0.790 3.330 9.124 333 1HB GLU 43 HB2 GLU 43 -0.823 0.971 9.495 334 2HB GLU 43 HB1 GLU 43 0.867 0.545 9.764 335 1HG GLU 43 HG2 GLU 43 0.936 2.737 11.185 336 2HG GLU 43 HG1 GLU 43 -0.820 2.578 11.208 337 H TYR 44 HN TYR 44 0.858 0.193 7.386 338 HA TYR 44 HA TYR 44 3.611 -0.206 7.163 339 1HB TYR 44 HB1 TYR 44 1.270 -0.701 5.303 340 2HB TYR 44 HB2 TYR 44 2.884 -1.302 4.928 341 HD1 TYR 44 HD1 TYR 44 4.034 -2.254 7.322 342 HD2 TYR 44 HD2 TYR 44 -0.103 -2.363 6.170 343 HE1 TYR 44 HE1 TYR 44 3.661 -4.180 8.839 344 HE2 TYR 44 HE2 TYR 44 -0.475 -4.289 7.687 345 HH TYR 44 HH TYR 44 0.460 -5.383 9.529 346 H LYS 45 HN LYS 45 1.607 1.369 4.643 347 HA LYS 45 HA LYS 45 3.597 2.326 2.949 348 1HB LYS 45 HB2 LYS 45 0.833 2.748 3.515 349 2HB LYS 45 HB1 LYS 45 1.571 4.339 3.341 350 1HG LYS 45 HG1 LYS 45 2.703 2.832 1.279 351 2HG LYS 45 HG2 LYS 45 1.011 2.332 1.303 352 1HD LYS 45 HD1 LYS 45 0.245 4.579 1.033 353 2HD LYS 45 HD2 LYS 45 1.844 5.240 1.374 354 1HE LYS 45 HE2 LYS 45 2.702 4.163 -0.710 355 2HE LYS 45 HE1 LYS 45 1.057 3.604 -1.066 356 1HZ LYS 45 HZ1 LYS 45 1.370 5.708 -2.138 357 2HZ LYS 45 HZ2 LYS 45 1.967 6.414 -0.714 358 3HZ LYS 45 HZ3 LYS 45 0.334 5.957 -0.815 359 H SER 46 HN SER 46 2.403 3.872 5.946 360 HA SER 46 HA SER 46 3.949 6.268 5.764 361 1HB SER 46 HB1 SER 46 2.341 4.757 7.689 362 2HB SER 46 HB2 SER 46 3.676 5.603 8.472 363 HG SER 46 HG SER 46 1.776 6.891 8.257 364 H ALA 47 HN ALA 47 4.677 3.117 7.287 365 HA ALA 47 HA ALA 47 7.191 3.797 8.428 366 1HB ALA 47 HB1 ALA 47 6.888 1.649 9.083 367 2HB ALA 47 HB2 ALA 47 7.161 1.098 7.430 368 3HB ALA 47 HB3 ALA 47 5.533 1.514 7.964 369 H LEU 48 HN LEU 48 6.313 2.902 5.118 370 HA LEU 48 HA LEU 48 9.027 2.438 4.208 371 1HB LEU 48 HB2 LEU 48 6.707 3.358 2.493 372 2HB LEU 48 HB1 LEU 48 8.011 2.261 2.059 373 HG LEU 48 HG LEU 48 5.590 1.713 3.772 374 1HD1 LEU 48 HD21 LEU 48 5.055 0.989 1.670 375 2HD1 LEU 48 HD22 LEU 48 5.951 -0.438 2.190 376 3HD1 LEU 48 HD23 LEU 48 6.742 0.787 1.199 377 1HD2 LEU 48 HD11 LEU 48 7.160 0.711 5.177 378 2HD2 LEU 48 HD12 LEU 48 8.274 0.371 3.854 379 3HD2 LEU 48 HD13 LEU 48 6.819 -0.604 4.053 380 H LEU 49 HN LEU 49 6.779 5.186 3.702 381 HA LEU 49 HA LEU 49 8.559 6.923 2.380 382 1HB LEU 49 HB2 LEU 49 6.049 7.012 3.905 383 2HB LEU 49 HB1 LEU 49 6.953 8.521 4.009 384 HG LEU 49 HG LEU 49 5.367 8.467 2.078 385 1HD1 LEU 49 HD21 LEU 49 6.970 9.292 0.426 386 2HD1 LEU 49 HD22 LEU 49 8.292 8.492 1.274 387 3HD1 LEU 49 HD23 LEU 49 7.444 9.838 2.034 388 1HD2 LEU 49 HD11 LEU 49 5.224 6.630 0.791 389 2HD2 LEU 49 HD12 LEU 49 6.511 5.876 1.732 390 3HD2 LEU 49 HD13 LEU 49 6.908 6.833 0.305 391 H ASN 50 HN ASN 50 8.395 6.070 5.788 392 HA ASN 50 HA ASN 50 9.994 8.335 6.699 393 1HB ASN 50 HB1 ASN 50 8.223 6.852 7.910 394 2HB ASN 50 HB2 ASN 50 9.555 5.720 8.147 395 1HD2 ASN 50 HD22 ASN 50 9.212 9.316 8.375 396 2HD2 ASN 50 HD21 ASN 50 9.962 9.434 9.892 397 H GLU 51 HN GLU 51 10.675 4.890 5.994 398 HA GLU 51 HA GLU 51 13.493 5.189 6.835 399 1HB GLU 51 HB2 GLU 51 12.010 3.128 7.124 400 2HB GLU 51 HB1 GLU 51 12.103 2.915 5.375 401 1HG GLU 51 HG2 GLU 51 14.300 2.256 5.437 402 2HG GLU 51 HG1 GLU 51 14.685 3.311 6.797 403 H CYS 52 HN CYS 52 11.615 4.707 3.876 404 HA CYS 52 HA CYS 52 13.733 4.651 1.984 405 1HB CYS 52 HB2 CYS 52 10.862 5.635 1.971 406 2HB CYS 52 HB1 CYS 52 11.832 5.543 0.509 407 HG CYS 52 HG CYS 52 11.592 2.939 2.169 408 H HIS 53 HN HIS 53 11.833 7.402 3.268 409 HA HIS 53 HA HIS 53 13.210 9.450 1.806 410 1HB HIS 53 HB1 HIS 53 11.003 9.652 2.939 411 2HB HIS 53 HB2 HIS 53 11.808 9.505 4.500 412 HD1 HIS 53 HD1 HIS 53 13.007 11.562 5.420 413 HD2 HIS 53 HD2 HIS 53 11.591 12.120 1.539 414 HE1 HIS 53 HE1 HIS 53 13.280 14.027 4.906 415 H LYS 54 HN LYS 54 13.739 8.029 5.040 416 HA LYS 54 HA LYS 54 15.739 9.709 6.048 417 1HB LYS 54 HB1 LYS 54 14.606 7.668 7.070 418 2HB LYS 54 HB2 LYS 54 15.730 6.673 6.144 419 1HG LYS 54 HG1 LYS 54 17.427 7.090 7.580 420 2HG LYS 54 HG2 LYS 54 17.081 8.820 7.600 421 1HD LYS 54 HD2 LYS 54 15.555 6.713 9.163 422 2HD LYS 54 HD1 LYS 54 16.768 7.800 9.840 423 1HE LYS 54 HE1 LYS 54 15.262 9.496 9.991 424 2HE LYS 54 HE2 LYS 54 14.728 9.249 8.317 425 1HZ LYS 54 HZ1 LYS 54 13.960 7.581 10.661 426 2HZ LYS 54 HZ2 LYS 54 13.470 7.309 9.058 427 3HZ LYS 54 HZ3 LYS 54 12.954 8.704 9.878 428 H GLN 55 HN GLN 55 16.210 6.855 3.930 429 HA GLN 55 HA GLN 55 19.051 7.580 3.517 430 1HB GLN 55 HB1 GLN 55 17.249 5.331 2.544 431 2HB GLN 55 HB2 GLN 55 18.978 5.423 2.212 432 1HG GLN 55 HG2 GLN 55 17.719 5.333 4.972 433 2HG GLN 55 HG1 GLN 55 18.523 3.984 4.170 434 1HE2 GLN 55 HE21 GLN 55 20.884 4.181 3.801 435 2HE2 GLN 55 HE22 GLN 55 21.808 5.264 4.727 436 H GLY 56 HN GLY 56 15.973 7.970 1.949 437 1HA GLY 56 HA1 GLY 56 16.053 9.792 0.164 438 2HA GLY 56 HA2 GLY 56 17.359 8.846 -0.553 439 H GLY 57 HN GLY 57 16.665 6.410 -0.856 440 1HA GLY 57 HA1 GLY 57 13.801 6.170 -1.578 441 2HA GLY 57 HA2 GLY 57 14.984 5.914 -2.863 442 H LEU 58 HN LEU 58 13.683 3.690 -2.636 443 HA LEU 58 HA LEU 58 15.488 1.899 -1.099 444 1HB LEU 58 HB1 LEU 58 13.659 2.690 0.427 445 2HB LEU 58 HB2 LEU 58 12.482 1.973 -0.673 446 HG LEU 58 HG LEU 58 14.693 0.185 0.157 447 1HD1 LEU 58 HD11 LEU 58 12.533 1.058 2.102 448 2HD1 LEU 58 HD12 LEU 58 14.260 1.375 2.270 449 3HD1 LEU 58 HD13 LEU 58 13.655 -0.280 2.353 450 1HD2 LEU 58 HD21 LEU 58 13.170 -1.198 -0.765 451 2HD2 LEU 58 HD22 LEU 58 11.947 0.074 -0.778 452 3HD2 LEU 58 HD23 LEU 58 12.162 -0.929 0.657 453 H ARG 59 HN ARG 59 15.515 -0.219 -1.903 454 HA ARG 59 HA ARG 59 14.533 -0.655 -4.598 455 1HB ARG 59 HB1 ARG 59 16.535 -1.621 -3.006 456 2HB ARG 59 HB2 ARG 59 15.370 -2.940 -2.893 457 1HG ARG 59 HG1 ARG 59 15.381 -2.240 -5.606 458 2HG ARG 59 HG2 ARG 59 17.077 -2.184 -5.125 459 1HD ARG 59 HD1 ARG 59 16.540 -4.481 -3.952 460 2HD ARG 59 HD2 ARG 59 15.178 -4.520 -5.088 461 HE ARG 59 HE ARG 59 16.743 -4.845 -6.829 462 1HH1 ARG 59 HH22 ARG 59 18.294 -3.472 -4.032 463 2HH1 ARG 59 HH21 ARG 59 19.874 -3.557 -4.729 464 1HH2 ARG 59 HH11 ARG 59 18.804 -4.947 -7.713 465 2HH2 ARG 59 HH12 ARG 59 20.163 -4.386 -6.798 466 H LEU 60 HN LEU 60 13.811 -3.501 -4.095 467 HA LEU 60 HA LEU 60 11.095 -3.063 -2.907 468 1HB LEU 60 HB1 LEU 60 11.313 -3.313 -5.432 469 2HB LEU 60 HB2 LEU 60 11.895 -4.951 -5.150 470 HG LEU 60 HG LEU 60 9.802 -5.608 -4.154 471 1HD1 LEU 60 HD11 LEU 60 9.452 -2.690 -3.873 472 2HD1 LEU 60 HD12 LEU 60 8.809 -4.002 -2.881 473 3HD1 LEU 60 HD13 LEU 60 7.998 -3.550 -4.381 474 1HD2 LEU 60 HD21 LEU 60 9.978 -4.483 -6.799 475 2HD2 LEU 60 HD22 LEU 60 8.347 -4.243 -6.172 476 3HD2 LEU 60 HD23 LEU 60 9.031 -5.867 -6.253 477 H ALA 61 HN ALA 61 13.618 -5.534 -3.551 478 HA ALA 61 HA ALA 61 12.573 -7.658 -2.020 479 1HB ALA 61 HB1 ALA 61 15.493 -6.945 -1.917 480 2HB ALA 61 HB2 ALA 61 14.759 -7.274 -3.487 481 3HB ALA 61 HB3 ALA 61 14.743 -8.511 -2.229 482 H GLN 62 HN GLN 62 14.860 -5.128 -0.895 483 HA GLN 62 HA GLN 62 14.939 -5.802 1.843 484 1HB GLN 62 HB1 GLN 62 14.902 -3.061 0.520 485 2HB GLN 62 HB2 GLN 62 15.592 -3.432 2.099 486 1HG GLN 62 HG2 GLN 62 16.616 -5.221 0.043 487 2HG GLN 62 HG1 GLN 62 16.927 -3.532 -0.360 488 1HE2 GLN 62 HE22 GLN 62 18.709 -2.593 0.665 489 2HE2 GLN 62 HE21 GLN 62 19.478 -3.223 2.040 490 H ALA 63 HN ALA 63 12.472 -4.140 -0.021 491 HA ALA 63 HA ALA 63 10.963 -3.069 2.183 492 1HB ALA 63 HB1 ALA 63 10.011 -2.124 0.364 493 2HB ALA 63 HB2 ALA 63 9.309 -3.682 -0.067 494 3HB ALA 63 HB3 ALA 63 10.897 -3.225 -0.682 495 H ARG 64 HN ARG 64 10.733 -6.123 0.341 496 HA ARG 64 HA ARG 64 8.365 -7.136 1.547 497 1HB ARG 64 HB1 ARG 64 10.850 -8.296 0.292 498 2HB ARG 64 HB2 ARG 64 9.633 -9.373 0.978 499 1HG ARG 64 HG1 ARG 64 8.940 -9.154 -1.258 500 2HG ARG 64 HG2 ARG 64 7.944 -7.962 -0.421 501 1HD ARG 64 HD2 ARG 64 9.285 -6.150 -1.176 502 2HD ARG 64 HD1 ARG 64 10.622 -7.228 -1.625 503 HE ARG 64 HE ARG 64 8.230 -6.725 -3.220 504 1HH1 ARG 64 HH11 ARG 64 10.735 -9.008 -2.435 505 2HH1 ARG 64 HH12 ARG 64 10.599 -9.842 -3.944 506 1HH2 ARG 64 HH21 ARG 64 8.071 -7.822 -5.171 507 2HH2 ARG 64 HH22 ARG 64 9.103 -9.178 -5.484 508 H ALA 65 HN ALA 65 11.774 -7.352 2.558 509 HA ALA 65 HA ALA 65 11.216 -9.036 4.860 510 1HB ALA 65 HB1 ALA 65 13.631 -7.351 4.901 511 2HB ALA 65 HB2 ALA 65 13.403 -8.202 3.373 512 3HB ALA 65 HB3 ALA 65 13.496 -9.110 4.882 513 H LEU 66 HN LEU 66 10.678 -5.705 4.295 514 HA LEU 66 HA LEU 66 11.180 -4.899 7.091 515 1HB LEU 66 HB2 LEU 66 11.258 -3.685 4.591 516 2HB LEU 66 HB1 LEU 66 9.794 -3.019 5.313 517 HG LEU 66 HG LEU 66 12.501 -3.078 6.675 518 1HD1 LEU 66 HD21 LEU 66 11.621 -0.435 6.198 519 2HD1 LEU 66 HD22 LEU 66 11.405 -1.302 4.677 520 3HD1 LEU 66 HD23 LEU 66 12.991 -1.254 5.448 521 1HD2 LEU 66 HD11 LEU 66 10.018 -1.511 7.407 522 2HD2 LEU 66 HD12 LEU 66 11.468 -1.756 8.380 523 3HD2 LEU 66 HD13 LEU 66 10.368 -3.102 8.083 524 H ILE 67 HN ILE 67 8.323 -4.197 5.041 525 HA ILE 67 HA ILE 67 6.639 -4.352 7.462 526 HB ILE 67 HB ILE 67 4.978 -3.303 5.935 527 1HG1 ILE 67 HG11 ILE 67 7.123 -3.336 3.811 528 2HG1 ILE 67 HG12 ILE 67 5.912 -4.614 3.916 529 1HG2 ILE 67 HG21 ILE 67 6.059 -1.222 5.827 530 2HG2 ILE 67 HG22 ILE 67 7.620 -1.947 5.442 531 3HG2 ILE 67 HG23 ILE 67 6.972 -2.067 7.078 532 1HD1 ILE 67 HD11 ILE 67 5.499 -2.422 2.448 533 2HD1 ILE 67 HD12 ILE 67 4.963 -1.780 4.001 534 3HD1 ILE 67 HD13 ILE 67 4.180 -3.205 3.317 535 H LYS 68 HN LYS 68 4.214 -5.054 6.463 536 HA LYS 68 HA LYS 68 2.881 -6.983 6.229 537 1HB LYS 68 HB1 LYS 68 4.900 -7.497 4.027 538 2HB LYS 68 HB2 LYS 68 3.233 -8.051 4.074 539 1HG LYS 68 HG2 LYS 68 3.789 -5.102 4.258 540 2HG LYS 68 HG1 LYS 68 3.841 -5.897 2.690 541 1HD LYS 68 HD1 LYS 68 1.601 -5.606 2.637 542 2HD LYS 68 HD2 LYS 68 1.527 -6.914 3.816 543 1HE LYS 68 HE1 LYS 68 2.067 -4.846 5.483 544 2HE LYS 68 HE2 LYS 68 1.167 -3.990 4.217 545 1HZ LYS 68 HZ1 LYS 68 0.322 -6.337 5.815 546 2HZ LYS 68 HZ2 LYS 68 -0.420 -5.964 4.334 547 3HZ LYS 68 HZ3 LYS 68 -0.482 -4.854 5.618 548 H ILE 69 HN ILE 69 4.145 -9.521 5.019 549 HA ILE 69 HA ILE 69 5.892 -10.398 7.242 550 HB ILE 69 HB ILE 69 4.320 -12.160 7.896 551 1HG1 ILE 69 HG11 ILE 69 3.303 -12.463 5.617 552 2HG1 ILE 69 HG12 ILE 69 2.131 -12.415 6.925 553 1HG2 ILE 69 HG21 ILE 69 2.805 -9.548 7.751 554 2HG2 ILE 69 HG22 ILE 69 4.129 -9.846 8.879 555 3HG2 ILE 69 HG23 ILE 69 2.655 -10.810 8.974 556 1HD1 ILE 69 HD11 ILE 69 2.497 -10.555 4.670 557 2HD1 ILE 69 HD12 ILE 69 2.292 -9.754 6.223 558 3HD1 ILE 69 HD13 ILE 69 1.062 -10.875 5.644 559 H ASP 70 HN ASP 70 4.252 -11.223 4.179 560 HA ASP 70 HA ASP 70 6.104 -13.519 3.831 561 1HB ASP 70 HB1 ASP 70 3.417 -12.703 2.993 562 2HB ASP 70 HB2 ASP 70 4.355 -13.395 1.672 563 H VAL 71 HN VAL 71 4.805 -11.604 1.148 564 HA VAL 71 HA VAL 71 7.223 -10.143 0.568 565 HB VAL 71 HB VAL 71 8.035 -12.474 0.303 566 1HG1 VAL 71 HG21 VAL 71 6.002 -12.723 -1.925 567 2HG1 VAL 71 HG22 VAL 71 5.721 -13.348 -0.300 568 3HG1 VAL 71 HG23 VAL 71 7.046 -13.986 -1.274 569 1HG2 VAL 71 HG11 VAL 71 9.249 -11.181 -1.170 570 2HG2 VAL 71 HG12 VAL 71 7.811 -10.617 -2.022 571 3HG2 VAL 71 HG13 VAL 71 8.442 -12.234 -2.332 572 H ASN 72 HN ASN 72 4.399 -11.830 -0.810 573 HA ASN 72 HA ASN 72 4.215 -10.154 -3.174 574 1HB ASN 72 HB2 ASN 72 3.261 -12.524 -2.589 575 2HB ASN 72 HB1 ASN 72 1.939 -11.628 -1.841 576 1HD2 ASN 72 HD21 ASN 72 2.910 -13.005 -4.756 577 2HD2 ASN 72 HD22 ASN 72 1.922 -12.112 -5.809 578 H LYS 73 HN LYS 73 2.966 -10.004 0.105 579 HA LYS 73 HA LYS 73 0.979 -7.966 -0.287 580 1HB LYS 73 HB2 LYS 73 2.709 -8.678 2.111 581 2HB LYS 73 HB1 LYS 73 1.177 -7.804 2.167 582 1HG LYS 73 HG2 LYS 73 0.194 -9.825 2.407 583 2HG LYS 73 HG1 LYS 73 0.569 -10.091 0.708 584 1HD LYS 73 HD2 LYS 73 2.930 -10.603 2.243 585 2HD LYS 73 HD1 LYS 73 1.591 -11.482 2.982 586 1HE LYS 73 HE1 LYS 73 1.468 -11.694 0.085 587 2HE LYS 73 HE2 LYS 73 3.033 -12.258 0.699 588 1HZ LYS 73 HZ1 LYS 73 0.318 -13.116 1.540 589 2HZ LYS 73 HZ2 LYS 73 1.699 -13.437 2.473 590 3HZ LYS 73 HZ3 LYS 73 1.564 -14.081 0.908 591 H THR 74 HN THR 74 4.296 -7.699 1.084 592 HA THR 74 HA THR 74 4.437 -4.845 0.996 593 HB THR 74 HB THR 74 6.552 -7.019 0.726 594 HG1 THR 74 HG1 THR 74 6.823 -6.510 2.964 595 1HG2 THR 74 HG21 THR 74 7.472 -4.563 1.933 596 2HG2 THR 74 HG22 THR 74 6.802 -4.232 0.335 597 3HG2 THR 74 HG23 THR 74 8.103 -5.405 0.517 598 H ARG 75 HN ARG 75 5.305 -7.355 -1.362 599 HA ARG 75 HA ARG 75 6.520 -5.863 -3.371 600 1HB ARG 75 HB2 ARG 75 6.226 -8.295 -3.395 601 2HB ARG 75 HB1 ARG 75 4.478 -8.109 -3.539 602 1HG ARG 75 HG1 ARG 75 4.643 -7.245 -5.744 603 2HG ARG 75 HG2 ARG 75 6.370 -6.929 -5.577 604 1HD ARG 75 HD1 ARG 75 6.669 -9.462 -5.304 605 2HD ARG 75 HD2 ARG 75 4.989 -9.613 -5.855 606 HE ARG 75 HE ARG 75 6.206 -7.872 -7.678 607 1HH1 ARG 75 HH21 ARG 75 6.725 -11.125 -6.551 608 2HH1 ARG 75 HH22 ARG 75 7.414 -11.650 -8.048 609 1HH2 ARG 75 HH11 ARG 75 7.104 -8.579 -9.611 610 2HH2 ARG 75 HH12 ARG 75 7.628 -10.223 -9.767 611 H LYS 76 HN LYS 76 3.036 -6.042 -2.620 612 HA LYS 76 HA LYS 76 2.295 -4.534 -5.004 613 1HB LYS 76 HB2 LYS 76 1.016 -5.798 -2.660 614 2HB LYS 76 HB1 LYS 76 0.132 -4.455 -3.392 615 1HG LYS 76 HG2 LYS 76 1.198 -6.060 -5.500 616 2HG LYS 76 HG1 LYS 76 0.412 -7.126 -4.360 617 1HD LYS 76 HD1 LYS 76 -1.635 -6.436 -5.026 618 2HD LYS 76 HD2 LYS 76 -1.187 -4.747 -4.789 619 1HE LYS 76 HE2 LYS 76 0.220 -5.342 -7.065 620 2HE LYS 76 HE1 LYS 76 -1.225 -6.350 -7.275 621 1HZ LYS 76 HZ1 LYS 76 -1.556 -4.049 -8.065 622 2HZ LYS 76 HZ2 LYS 76 -1.249 -3.477 -6.496 623 3HZ LYS 76 HZ3 LYS 76 -2.608 -4.450 -6.794 624 H ILE 77 HN ILE 77 2.182 -3.797 -1.494 625 HA ILE 77 HA ILE 77 1.452 -1.064 -1.723 626 HB ILE 77 HB ILE 77 3.223 -2.474 0.316 627 1HG1 ILE 77 HG12 ILE 77 0.213 -2.129 0.150 628 2HG1 ILE 77 HG11 ILE 77 1.094 -3.647 0.043 629 1HG2 ILE 77 HG21 ILE 77 3.218 -0.549 1.493 630 2HG2 ILE 77 HG22 ILE 77 1.470 -0.386 1.316 631 3HG2 ILE 77 HG23 ILE 77 2.546 0.244 0.068 632 1HD1 ILE 77 HD11 ILE 77 0.965 -1.822 2.460 633 2HD1 ILE 77 HD12 ILE 77 1.949 -3.282 2.354 634 3HD1 ILE 77 HD13 ILE 77 0.189 -3.398 2.295 635 H TYR 78 HN TYR 78 4.740 -2.409 -1.203 636 HA TYR 78 HA TYR 78 6.134 0.036 -1.548 637 1HB TYR 78 HB2 TYR 78 6.663 -2.805 -1.309 638 2HB TYR 78 HB1 TYR 78 7.765 -2.073 -2.474 639 HD1 TYR 78 HD1 TYR 78 6.916 -2.426 1.021 640 HD2 TYR 78 HD2 TYR 78 9.051 0.020 -1.790 641 HE1 TYR 78 HE1 TYR 78 8.214 -1.426 2.879 642 HE2 TYR 78 HE2 TYR 78 10.347 1.026 0.070 643 HH TYR 78 HH TYR 78 10.704 -0.236 2.951 644 H ASP 79 HN ASP 79 5.116 -2.393 -3.993 645 HA ASP 79 HA ASP 79 6.535 -1.442 -6.234 646 1HB ASP 79 HB2 ASP 79 3.993 -2.843 -5.675 647 2HB ASP 79 HB1 ASP 79 4.020 -2.008 -7.223 648 H PHE 80 HN PHE 80 3.386 -0.290 -4.988 649 HA PHE 80 HA PHE 80 2.945 1.783 -6.873 650 1HB PHE 80 HB1 PHE 80 1.526 0.761 -4.908 651 2HB PHE 80 HB2 PHE 80 2.290 2.018 -3.935 652 HD1 PHE 80 HD1 PHE 80 0.415 1.519 -7.141 653 HD2 PHE 80 HD2 PHE 80 1.410 4.194 -3.931 654 HE1 PHE 80 HE1 PHE 80 -1.190 3.186 -8.032 655 HE2 PHE 80 HE2 PHE 80 -0.194 5.861 -4.823 656 HZ PHE 80 HZ PHE 80 -1.495 5.358 -6.873 657 H LEU 81 HN LEU 81 4.614 1.912 -3.690 658 HA LEU 81 HA LEU 81 5.345 4.674 -3.835 659 1HB LEU 81 HB2 LEU 81 6.685 2.284 -2.512 660 2HB LEU 81 HB1 LEU 81 7.031 3.968 -2.125 661 HG LEU 81 HG LEU 81 4.165 3.234 -2.083 662 1HD1 LEU 81 HD21 LEU 81 4.724 1.261 -0.982 663 2HD1 LEU 81 HD22 LEU 81 4.660 2.386 0.374 664 3HD1 LEU 81 HD23 LEU 81 6.216 1.933 -0.322 665 1HD2 LEU 81 HD11 LEU 81 4.782 4.442 0.282 666 2HD2 LEU 81 HD12 LEU 81 4.410 5.324 -1.200 667 3HD2 LEU 81 HD13 LEU 81 6.089 5.039 -0.741 668 H ILE 82 HN ILE 82 7.054 1.753 -4.955 669 HA ILE 82 HA ILE 82 9.487 3.032 -5.765 670 HB ILE 82 HB ILE 82 8.009 0.543 -6.699 671 1HG1 ILE 82 HG11 ILE 82 8.671 0.694 -4.269 672 2HG1 ILE 82 HG12 ILE 82 9.408 -0.650 -5.137 673 1HG2 ILE 82 HG21 ILE 82 9.674 1.281 -8.375 674 2HG2 ILE 82 HG22 ILE 82 10.174 -0.217 -7.589 675 3HG2 ILE 82 HG23 ILE 82 10.913 1.314 -7.121 676 1HD1 ILE 82 HD11 ILE 82 10.996 1.816 -5.267 677 2HD1 ILE 82 HD12 ILE 82 11.497 0.176 -4.853 678 3HD1 ILE 82 HD13 ILE 82 10.778 1.215 -3.623 679 H ARG 83 HN ARG 83 7.047 1.657 -7.974 680 HA ARG 83 HA ARG 83 7.830 2.960 -10.312 681 1HB ARG 83 HB1 ARG 83 5.164 2.030 -9.229 682 2HB ARG 83 HB2 ARG 83 5.337 2.602 -10.888 683 1HG ARG 83 HG2 ARG 83 6.007 0.509 -11.417 684 2HG ARG 83 HG1 ARG 83 7.468 0.826 -10.495 685 1HD ARG 83 HD2 ARG 83 6.677 -0.295 -8.627 686 2HD ARG 83 HD1 ARG 83 4.979 -0.035 -9.051 687 HE ARG 83 HE ARG 83 5.103 -1.950 -10.443 688 1HH1 ARG 83 HH21 ARG 83 8.285 -0.791 -9.635 689 2HH1 ARG 83 HH22 ARG 83 9.083 -2.135 -10.376 690 1HH2 ARG 83 HH12 ARG 83 6.162 -3.684 -11.398 691 2HH2 ARG 83 HH11 ARG 83 7.892 -3.761 -11.367 692 H GLU 84 HN GLU 84 5.874 4.264 -7.659 693 HA GLU 84 HA GLU 84 5.233 6.704 -9.206 694 1HB GLU 84 HB1 GLU 84 4.683 5.848 -6.339 695 2HB GLU 84 HB2 GLU 84 3.970 7.249 -7.135 696 1HG GLU 84 HG2 GLU 84 3.714 4.571 -8.454 697 2HG GLU 84 HG1 GLU 84 2.676 4.936 -7.076 698 H GLY 85 HN GLY 85 5.530 8.788 -7.671 699 1HA GLY 85 HA1 GLY 85 8.440 8.958 -7.179 700 2HA GLY 85 HA2 GLY 85 7.326 10.323 -7.260 701 H TYR 86 HN TYR 86 7.789 7.387 -5.245 702 HA TYR 86 HA TYR 86 7.182 9.101 -2.856 703 1HB TYR 86 HB1 TYR 86 6.545 6.246 -3.624 704 2HB TYR 86 HB2 TYR 86 6.488 6.762 -1.938 705 HD1 TYR 86 HD1 TYR 86 5.331 7.933 -5.316 706 HD2 TYR 86 HD2 TYR 86 4.467 7.582 -1.122 707 HE1 TYR 86 HE1 TYR 86 3.090 8.926 -5.694 708 HE2 TYR 86 HE2 TYR 86 2.226 8.575 -1.501 709 HH TYR 86 HH TYR 86 0.862 8.912 -4.575 710 H ILE 87 HN ILE 87 8.801 5.986 -3.626 711 HA ILE 87 HA ILE 87 10.984 6.800 -1.734 712 HB ILE 87 HB ILE 87 11.151 4.404 -1.205 713 1HG1 ILE 87 HG11 ILE 87 8.955 4.082 -3.277 714 2HG1 ILE 87 HG12 ILE 87 10.613 3.500 -3.421 715 1HG2 ILE 87 HG21 ILE 87 8.400 4.243 -0.783 716 2HG2 ILE 87 HG22 ILE 87 8.705 5.977 -0.873 717 3HG2 ILE 87 HG23 ILE 87 9.567 4.991 0.304 718 1HD1 ILE 87 HD11 ILE 87 10.318 1.909 -1.674 719 2HD1 ILE 87 HD12 ILE 87 8.871 1.777 -2.672 720 3HD1 ILE 87 HD13 ILE 87 8.811 2.656 -1.146 721 H THR 88 HN THR 88 10.208 5.052 -4.723 722 HA THR 88 HA THR 88 11.501 4.515 -6.607 723 HB THR 88 HB THR 88 12.797 6.372 -7.409 724 HG1 THR 88 HG1 THR 88 13.462 8.014 -5.973 725 1HG2 THR 88 HG21 THR 88 10.338 6.757 -7.126 726 2HG2 THR 88 HG22 THR 88 11.286 8.242 -7.056 727 3HG2 THR 88 HG23 THR 88 10.676 7.515 -5.570 728 H LYS 89 HN LYS 89 12.763 2.730 -6.461 729 HA LYS 89 HA LYS 89 14.825 2.245 -4.573 730 1HB LYS 89 HB1 LYS 89 15.432 0.448 -6.218 731 2HB LYS 89 HB2 LYS 89 13.698 0.520 -5.902 732 1HG LYS 89 HG1 LYS 89 13.400 0.728 -8.127 733 2HG LYS 89 HG2 LYS 89 14.113 2.335 -7.985 734 1HD LYS 89 HD2 LYS 89 16.293 0.561 -7.966 735 2HD LYS 89 HD1 LYS 89 15.214 -0.052 -9.218 736 1HE LYS 89 HE2 LYS 89 15.400 2.851 -9.350 737 2HE LYS 89 HE1 LYS 89 16.999 2.095 -9.489 738 1HZ LYS 89 HZ1 LYS 89 15.968 2.117 -11.647 739 2HZ LYS 89 HZ2 LYS 89 14.552 1.405 -11.037 740 3HZ LYS 89 HZ3 LYS 89 15.996 0.513 -11.089 741 H ALA 90 HN ALA 90 17.155 2.272 -4.873 742 HA ALA 90 HA ALA 90 18.110 4.083 -7.063 743 1HB ALA 90 HB1 ALA 90 17.796 5.146 -4.764 744 2HB ALA 90 HB2 ALA 90 19.428 5.270 -5.420 745 3HB ALA 90 HB3 ALA 90 19.065 4.068 -4.181 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 6.054 18.063 -4.145 2 2H GLY 1 HT2 GLY 1 6.187 16.812 -3.005 3 3H GLY 1 HT3 GLY 1 7.493 17.168 -4.030 4 1HA GLY 1 HA1 GLY 1 7.829 19.285 -2.989 5 2HA GLY 1 HA2 GLY 1 6.395 19.028 -1.993 6 H SER 2 HN SER 2 6.600 16.535 -1.043 7 HA SER 2 HA SER 2 9.010 16.670 0.672 8 1HB SER 2 HB1 SER 2 6.450 16.236 1.244 9 2HB SER 2 HB2 SER 2 6.861 14.572 0.830 10 HG SER 2 HG SER 2 7.203 14.963 3.033 11 H ASN 3 HN ASN 3 9.760 14.227 1.254 12 HA ASN 3 HA ASN 3 9.789 12.335 -0.954 13 1HB ASN 3 HB1 ASN 3 12.176 12.719 -1.542 14 2HB ASN 3 HB2 ASN 3 11.209 14.163 -1.841 15 1HD2 ASN 3 HD21 ASN 3 11.362 15.931 -0.199 16 2HD2 ASN 3 HD22 ASN 3 12.737 16.046 0.790 17 H SER 4 HN SER 4 11.495 10.573 -0.478 18 HA SER 4 HA SER 4 12.489 10.462 2.294 19 1HB SER 4 HB2 SER 4 9.933 9.359 1.404 20 2HB SER 4 HB1 SER 4 10.978 8.107 2.074 21 HG SER 4 HG SER 4 11.293 9.554 3.882 22 H GLY 5 HN GLY 5 14.209 9.015 2.440 23 1HA GLY 5 HA2 GLY 5 14.540 6.785 0.614 24 2HA GLY 5 HA1 GLY 5 15.605 8.130 0.203 25 H ARG 6 HN ARG 6 15.606 5.302 1.825 26 HA ARG 6 HA ARG 6 18.045 5.887 3.263 27 1HB ARG 6 HB2 ARG 6 15.778 6.787 4.507 28 2HB ARG 6 HB1 ARG 6 15.904 5.166 5.189 29 1HG ARG 6 HG1 ARG 6 18.521 6.129 5.258 30 2HG ARG 6 HG2 ARG 6 17.542 7.524 5.713 31 1HD ARG 6 HD1 ARG 6 16.840 4.901 6.969 32 2HD ARG 6 HD2 ARG 6 18.306 5.721 7.540 33 HE ARG 6 HE ARG 6 15.588 6.623 7.989 34 1HH1 ARG 6 HH11 ARG 6 18.832 7.702 7.333 35 2HH1 ARG 6 HH12 ARG 6 18.590 9.241 8.084 36 1HH2 ARG 6 HH21 ARG 6 15.299 8.627 8.960 37 2HH2 ARG 6 HH22 ARG 6 16.606 9.763 9.000 38 H ARG 7 HN ARG 7 19.072 3.948 3.814 39 HA ARG 7 HA ARG 7 17.740 1.458 2.940 40 1HB ARG 7 HB1 ARG 7 20.234 2.453 2.649 41 2HB ARG 7 HB2 ARG 7 20.479 1.535 4.135 42 1HG ARG 7 HG2 ARG 7 19.363 -0.429 2.931 43 2HG ARG 7 HG1 ARG 7 19.539 0.510 1.449 44 1HD ARG 7 HD1 ARG 7 22.002 0.373 3.074 45 2HD ARG 7 HD2 ARG 7 21.467 -1.188 2.422 46 HE ARG 7 HE ARG 7 21.173 0.732 0.358 47 1HH1 ARG 7 HH21 ARG 7 23.705 -0.734 2.245 48 2HH1 ARG 7 HH22 ARG 7 24.885 -0.567 0.992 49 1HH2 ARG 7 HH11 ARG 7 22.722 0.937 -1.253 50 2HH2 ARG 7 HH12 ARG 7 24.336 0.371 -0.974 51 H SER 8 HN SER 8 16.931 -0.050 4.366 52 HA SER 8 HA SER 8 17.937 -0.261 7.111 53 1HB SER 8 HB2 SER 8 16.345 1.752 6.961 54 2HB SER 8 HB1 SER 8 15.059 0.583 6.664 55 HG SER 8 HG SER 8 15.351 -0.270 8.649 56 H ALA 9 HN ALA 9 17.031 -2.134 8.202 57 HA ALA 9 HA ALA 9 16.239 -4.355 8.244 58 1HB ALA 9 HB1 ALA 9 14.197 -3.727 6.177 59 2HB ALA 9 HB2 ALA 9 14.215 -2.651 7.575 60 3HB ALA 9 HB3 ALA 9 13.984 -4.384 7.800 61 HA PRO 10 HA PRO 10 17.816 -6.580 4.810 62 1HB PRO 10 HB1 PRO 10 16.072 -8.687 4.504 63 2HB PRO 10 HB2 PRO 10 17.232 -8.570 5.840 64 1HG PRO 10 HG1 PRO 10 14.322 -7.926 5.799 65 2HG PRO 10 HG2 PRO 10 15.275 -8.749 7.042 66 1HD PRO 10 HD1 PRO 10 14.546 -6.155 7.234 67 2HD PRO 10 HD2 PRO 10 16.052 -6.779 7.933 68 HA PRO 11 HA PRO 11 15.405 -4.564 1.546 69 1HB PRO 11 HB2 PRO 11 17.651 -5.609 -0.111 70 2HB PRO 11 HB1 PRO 11 17.020 -3.957 0.012 71 1HG PRO 11 HG1 PRO 11 19.347 -4.694 1.125 72 2HG PRO 11 HG2 PRO 11 18.296 -3.468 1.845 73 1HD PRO 11 HD1 PRO 11 18.778 -6.274 2.685 74 2HD PRO 11 HD2 PRO 11 18.365 -4.850 3.657 75 H LEU 12 HN LEU 12 13.808 -5.542 0.415 76 HA LEU 12 HA LEU 12 14.078 -8.449 -0.227 77 1HB LEU 12 HB2 LEU 12 11.709 -6.586 0.144 78 2HB LEU 12 HB1 LEU 12 11.555 -8.276 -0.336 79 HG LEU 12 HG LEU 12 13.167 -8.573 1.808 80 1HD1 LEU 12 HD21 LEU 12 11.390 -6.208 2.462 81 2HD1 LEU 12 HD22 LEU 12 13.132 -6.116 2.230 82 3HD1 LEU 12 HD23 LEU 12 12.471 -7.041 3.577 83 1HD2 LEU 12 HD11 LEU 12 10.859 -8.750 3.097 84 2HD2 LEU 12 HD12 LEU 12 11.241 -9.872 1.792 85 3HD2 LEU 12 HD13 LEU 12 10.187 -8.491 1.487 86 H ASN 13 HN ASN 13 12.072 -8.623 -2.171 87 HA ASN 13 HA ASN 13 13.429 -7.906 -4.571 88 1HB ASN 13 HB2 ASN 13 11.060 -9.264 -3.694 89 2HB ASN 13 HB1 ASN 13 10.609 -8.169 -5.001 90 1HD2 ASN 13 HD22 ASN 13 11.259 -11.284 -4.716 91 2HD2 ASN 13 HD21 ASN 13 12.207 -11.571 -6.094 92 H LEU 14 HN LEU 14 11.460 -6.001 -2.479 93 HA LEU 14 HA LEU 14 10.488 -4.116 -4.474 94 1HB LEU 14 HB1 LEU 14 9.394 -4.549 -2.299 95 2HB LEU 14 HB2 LEU 14 10.830 -3.973 -1.454 96 HG LEU 14 HG LEU 14 10.272 -1.889 -3.187 97 1HD1 LEU 14 HD11 LEU 14 7.735 -3.262 -2.322 98 2HD1 LEU 14 HD12 LEU 14 8.141 -2.582 -3.898 99 3HD1 LEU 14 HD13 LEU 14 7.772 -1.513 -2.544 100 1HD2 LEU 14 HD21 LEU 14 10.863 -1.326 -1.005 101 2HD2 LEU 14 HD22 LEU 14 9.717 -2.461 -0.293 102 3HD2 LEU 14 HD23 LEU 14 9.140 -0.949 -0.993 103 H THR 15 HN THR 15 13.441 -4.503 -2.647 104 HA THR 15 HA THR 15 14.305 -1.713 -3.084 105 HB THR 15 HB THR 15 16.354 -2.622 -1.902 106 HG1 THR 15 HG1 THR 15 15.986 -4.785 -2.740 107 1HG2 THR 15 HG21 THR 15 15.290 -2.742 0.217 108 2HG2 THR 15 HG22 THR 15 13.825 -3.445 -0.469 109 3HG2 THR 15 HG23 THR 15 14.213 -1.750 -0.765 110 H GLY 16 HN GLY 16 15.611 -1.073 -4.770 111 1HA GLY 16 HA2 GLY 16 17.541 -1.596 -6.252 112 2HA GLY 16 HA1 GLY 16 16.868 -3.215 -6.437 113 H LEU 17 HN LEU 17 14.115 -1.677 -6.521 114 HA LEU 17 HA LEU 17 14.260 -1.163 -9.467 115 1HB LEU 17 HB1 LEU 17 11.779 -1.660 -7.798 116 2HB LEU 17 HB2 LEU 17 11.996 -1.929 -9.520 117 HG LEU 17 HG LEU 17 13.413 -3.501 -7.355 118 1HD1 LEU 17 HD21 LEU 17 10.908 -3.968 -8.953 119 2HD1 LEU 17 HD22 LEU 17 11.202 -4.264 -7.240 120 3HD1 LEU 17 HD23 LEU 17 11.895 -5.340 -8.452 121 1HD2 LEU 17 HD11 LEU 17 13.645 -3.296 -10.294 122 2HD2 LEU 17 HD12 LEU 17 13.535 -4.945 -9.676 123 3HD2 LEU 17 HD13 LEU 17 14.818 -3.875 -9.110 124 HA PRO 18 HA PRO 18 12.850 2.962 -8.730 125 1HB PRO 18 HB2 PRO 18 11.076 3.444 -10.730 126 2HB PRO 18 HB1 PRO 18 12.784 3.104 -11.067 127 1HG PRO 18 HG2 PRO 18 10.405 1.366 -11.371 128 2HG PRO 18 HG1 PRO 18 11.905 1.398 -12.308 129 1HD PRO 18 HD2 PRO 18 11.218 -0.390 -10.242 130 2HD PRO 18 HD1 PRO 18 12.811 -0.220 -11.002 131 H GLY 19 HN GLY 19 11.158 4.301 -7.820 132 1HA GLY 19 HA2 GLY 19 8.867 4.697 -7.102 133 2HA GLY 19 HA1 GLY 19 8.533 2.981 -7.351 134 H THR 20 HN THR 20 10.880 1.995 -6.011 135 HA THR 20 HA THR 20 10.038 1.644 -3.369 136 HB THR 20 HB THR 20 12.942 1.885 -4.178 137 HG1 THR 20 HG1 THR 20 12.712 0.309 -5.544 138 1HG2 THR 20 HG21 THR 20 13.147 -0.127 -2.763 139 2HG2 THR 20 HG22 THR 20 11.405 -0.108 -2.484 140 3HG2 THR 20 HG23 THR 20 12.412 1.201 -1.865 141 H GLU 21 HN GLU 21 12.274 4.131 -4.620 142 HA GLU 21 HA GLU 21 12.736 5.393 -2.067 143 1HB GLU 21 HB1 GLU 21 14.249 5.630 -3.964 144 2HB GLU 21 HB2 GLU 21 12.958 6.297 -4.961 145 1HG GLU 21 HG2 GLU 21 13.517 8.358 -4.240 146 2HG GLU 21 HG1 GLU 21 13.072 7.877 -2.603 147 H LYS 22 HN LYS 22 10.260 5.718 -4.555 148 HA LYS 22 HA LYS 22 9.168 8.237 -3.650 149 1HB LYS 22 HB1 LYS 22 7.997 5.877 -5.172 150 2HB LYS 22 HB2 LYS 22 7.230 7.459 -5.045 151 1HG LYS 22 HG2 LYS 22 9.989 7.753 -5.862 152 2HG LYS 22 HG1 LYS 22 9.147 6.648 -6.950 153 1HD LYS 22 HD1 LYS 22 7.248 8.511 -6.789 154 2HD LYS 22 HD2 LYS 22 8.625 9.543 -6.404 155 1HE LYS 22 HE1 LYS 22 9.236 9.588 -8.586 156 2HE LYS 22 HE2 LYS 22 9.276 7.816 -8.641 157 1HZ LYS 22 HZ1 LYS 22 6.832 9.509 -8.813 158 2HZ LYS 22 HZ2 LYS 22 6.860 7.812 -8.847 159 3HZ LYS 22 HZ3 LYS 22 7.558 8.698 -10.116 160 H LEU 23 HN LEU 23 8.827 4.908 -2.615 161 HA LEU 23 HA LEU 23 6.351 5.090 -1.195 162 1HB LEU 23 HB2 LEU 23 8.874 3.460 -0.702 163 2HB LEU 23 HB1 LEU 23 7.292 3.097 -0.013 164 HG LEU 23 HG LEU 23 7.938 3.213 -2.974 165 1HD1 LEU 23 HD21 LEU 23 8.279 0.971 -2.923 166 2HD1 LEU 23 HD22 LEU 23 6.950 0.710 -1.794 167 3HD1 LEU 23 HD23 LEU 23 8.535 1.195 -1.192 168 1HD2 LEU 23 HD11 LEU 23 5.692 3.768 -2.917 169 2HD2 LEU 23 HD12 LEU 23 5.416 2.924 -1.393 170 3HD2 LEU 23 HD13 LEU 23 5.572 2.008 -2.893 171 H ASN 24 HN ASN 24 5.877 6.041 0.765 172 HA ASN 24 HA ASN 24 7.703 7.859 2.019 173 1HB ASN 24 HB2 ASN 24 4.972 7.110 2.116 174 2HB ASN 24 HB1 ASN 24 5.581 6.929 3.761 175 1HD2 ASN 24 HD21 ASN 24 5.997 8.843 4.950 176 2HD2 ASN 24 HD22 ASN 24 5.848 10.406 4.304 177 H GLU 25 HN GLU 25 7.631 7.459 4.705 178 HA GLU 25 HA GLU 25 9.648 5.442 5.140 179 1HB GLU 25 HB2 GLU 25 8.095 7.442 6.689 180 2HB GLU 25 HB1 GLU 25 8.911 6.180 7.605 181 1HG GLU 25 HG2 GLU 25 10.916 7.164 7.278 182 2HG GLU 25 HG1 GLU 25 10.645 7.245 5.537 183 H LYS 26 HN LYS 26 6.190 5.680 5.954 184 HA LYS 26 HA LYS 26 6.129 3.119 7.343 185 1HB LYS 26 HB1 LYS 26 4.003 4.969 6.215 186 2HB LYS 26 HB2 LYS 26 3.664 3.599 7.271 187 1HG LYS 26 HG1 LYS 26 4.711 4.600 9.116 188 2HG LYS 26 HG2 LYS 26 5.661 5.690 8.106 189 1HD LYS 26 HD2 LYS 26 2.681 5.913 7.992 190 2HD LYS 26 HD1 LYS 26 3.505 6.553 9.414 191 1HE LYS 26 HE2 LYS 26 5.092 7.692 7.650 192 2HE LYS 26 HE1 LYS 26 3.730 7.432 6.543 193 1HZ LYS 26 HZ1 LYS 26 3.363 9.506 7.622 194 2HZ LYS 26 HZ2 LYS 26 3.706 8.856 9.153 195 3HZ LYS 26 HZ3 LYS 26 2.290 8.398 8.333 196 H GLU 27 HN GLU 27 5.333 4.258 4.071 197 HA GLU 27 HA GLU 27 4.125 1.777 3.195 198 1HB GLU 27 HB2 GLU 27 5.467 4.022 1.642 199 2HB GLU 27 HB1 GLU 27 4.314 2.856 0.991 200 1HG GLU 27 HG2 GLU 27 2.682 3.697 2.777 201 2HG GLU 27 HG1 GLU 27 3.809 5.029 3.034 202 H LYS 28 HN LYS 28 7.406 3.173 2.852 203 HA LYS 28 HA LYS 28 8.608 1.235 1.213 204 1HB LYS 28 HB2 LYS 28 9.468 3.011 3.480 205 2HB LYS 28 HB1 LYS 28 10.626 1.839 2.851 206 1HG LYS 28 HG2 LYS 28 10.339 2.753 0.582 207 2HG LYS 28 HG1 LYS 28 9.144 3.901 1.188 208 1HD LYS 28 HD2 LYS 28 11.215 5.097 1.074 209 2HD LYS 28 HD1 LYS 28 10.954 4.739 2.781 210 1HE LYS 28 HE1 LYS 28 12.312 2.492 1.945 211 2HE LYS 28 HE2 LYS 28 13.071 3.767 0.973 212 1HZ LYS 28 HZ1 LYS 28 14.127 3.646 3.136 213 2HZ LYS 28 HZ2 LYS 28 12.628 3.815 3.917 214 3HZ LYS 28 HZ3 LYS 28 13.262 5.103 3.011 215 H GLU 29 HN GLU 29 8.474 1.203 4.800 216 HA GLU 29 HA GLU 29 9.571 -1.434 5.095 217 1HB GLU 29 HB2 GLU 29 8.580 0.728 6.678 218 2HB GLU 29 HB1 GLU 29 7.736 -0.729 7.203 219 1HG GLU 29 HG1 GLU 29 10.419 -1.507 6.844 220 2HG GLU 29 HG2 GLU 29 10.488 0.051 7.668 221 H LEU 30 HN LEU 30 6.241 -0.223 4.787 222 HA LEU 30 HA LEU 30 4.815 -2.600 5.372 223 1HB LEU 30 HB2 LEU 30 3.867 -0.328 5.013 224 2HB LEU 30 HB1 LEU 30 4.279 -0.434 3.301 225 HG LEU 30 HG LEU 30 2.875 -2.783 3.757 226 1HD1 LEU 30 HD11 LEU 30 1.181 -0.634 4.986 227 2HD1 LEU 30 HD12 LEU 30 2.317 -1.512 6.011 228 3HD1 LEU 30 HD13 LEU 30 1.053 -2.386 5.146 229 1HD2 LEU 30 HD21 LEU 30 1.376 -1.894 2.207 230 2HD2 LEU 30 HD22 LEU 30 2.790 -0.874 1.941 231 3HD2 LEU 30 HD23 LEU 30 1.445 -0.280 2.915 232 H CYS 31 HN CYS 31 6.273 -1.491 2.310 233 HA CYS 31 HA CYS 31 5.391 -3.813 0.785 234 1HB CYS 31 HB2 CYS 31 6.739 -1.279 0.428 235 2HB CYS 31 HB1 CYS 31 7.662 -2.547 -0.379 236 HG CYS 31 HG CYS 31 5.592 -1.496 -1.855 237 H GLN 32 HN GLN 32 8.292 -2.920 2.612 238 HA GLN 32 HA GLN 32 10.015 -5.014 1.687 239 1HB GLN 32 HB1 GLN 32 9.793 -3.447 4.280 240 2HB GLN 32 HB2 GLN 32 11.157 -4.499 3.900 241 1HG GLN 32 HG1 GLN 32 10.666 -2.807 1.640 242 2HG GLN 32 HG2 GLN 32 10.747 -1.796 3.083 243 1HE2 GLN 32 HE21 GLN 32 12.851 -1.124 3.499 244 2HE2 GLN 32 HE22 GLN 32 14.251 -2.028 3.177 245 H VAL 33 HN VAL 33 7.380 -4.954 3.994 246 HA VAL 33 HA VAL 33 8.032 -7.578 5.165 247 HB VAL 33 HB VAL 33 5.633 -5.711 5.290 248 1HG1 VAL 33 HG11 VAL 33 4.905 -7.967 5.802 249 2HG1 VAL 33 HG12 VAL 33 5.037 -7.076 7.318 250 3HG1 VAL 33 HG13 VAL 33 6.296 -8.221 6.855 251 1HG2 VAL 33 HG21 VAL 33 6.600 -4.749 7.147 252 2HG2 VAL 33 HG22 VAL 33 8.071 -5.217 6.295 253 3HG2 VAL 33 HG23 VAL 33 7.448 -6.227 7.600 254 H VAL 34 HN VAL 34 5.204 -6.297 3.376 255 HA VAL 34 HA VAL 34 4.500 -8.970 2.386 256 HB VAL 34 HB VAL 34 2.809 -7.259 2.948 257 1HG1 VAL 34 HG11 VAL 34 3.078 -5.098 2.384 258 2HG1 VAL 34 HG12 VAL 34 3.181 -5.516 0.674 259 3HG1 VAL 34 HG13 VAL 34 4.634 -5.528 1.673 260 1HG2 VAL 34 HG21 VAL 34 1.487 -7.364 0.903 261 2HG2 VAL 34 HG22 VAL 34 2.347 -8.889 1.115 262 3HG2 VAL 34 HG23 VAL 34 2.935 -7.701 -0.048 263 H ARG 35 HN ARG 35 6.698 -9.251 1.397 264 HA ARG 35 HA ARG 35 8.174 -7.956 -0.416 265 1HB ARG 35 HB2 ARG 35 7.034 -10.759 -0.619 266 2HB ARG 35 HB1 ARG 35 8.363 -10.196 -1.632 267 1HG ARG 35 HG2 ARG 35 9.855 -10.147 0.115 268 2HG ARG 35 HG1 ARG 35 8.618 -9.716 1.295 269 1HD ARG 35 HD1 ARG 35 9.476 -12.047 1.631 270 2HD ARG 35 HD2 ARG 35 7.746 -12.030 1.239 271 HE ARG 35 HE ARG 35 8.272 -13.032 -0.840 272 1HH1 ARG 35 HH12 ARG 35 11.105 -11.608 0.597 273 2HH1 ARG 35 HH11 ARG 35 12.168 -12.234 -0.615 274 1HH2 ARG 35 HH21 ARG 35 9.673 -13.833 -2.401 275 2HH2 ARG 35 HH22 ARG 35 11.367 -13.484 -2.299 276 H LEU 36 HN LEU 36 7.062 -6.342 -1.621 277 HA LEU 36 HA LEU 36 5.596 -7.384 -4.018 278 1HB LEU 36 HB1 LEU 36 4.397 -6.147 -1.898 279 2HB LEU 36 HB2 LEU 36 4.813 -4.745 -2.880 280 HG LEU 36 HG LEU 36 3.803 -6.338 -4.808 281 1HD1 LEU 36 HD11 LEU 36 2.951 -8.198 -3.795 282 2HD1 LEU 36 HD12 LEU 36 1.602 -7.133 -3.400 283 3HD1 LEU 36 HD13 LEU 36 2.875 -7.420 -2.214 284 1HD2 LEU 36 HD21 LEU 36 1.625 -5.084 -3.309 285 2HD2 LEU 36 HD22 LEU 36 2.262 -4.682 -4.904 286 3HD2 LEU 36 HD23 LEU 36 3.032 -4.032 -3.457 287 H VAL 37 HN VAL 37 5.362 -5.253 -5.554 288 HA VAL 37 HA VAL 37 8.137 -4.147 -5.760 289 HB VAL 37 HB VAL 37 7.319 -3.658 -8.166 290 1HG1 VAL 37 HG21 VAL 37 8.887 -5.428 -7.774 291 2HG1 VAL 37 HG22 VAL 37 7.617 -6.101 -8.796 292 3HG1 VAL 37 HG23 VAL 37 7.641 -6.459 -7.069 293 1HG2 VAL 37 HG11 VAL 37 4.874 -4.341 -7.180 294 2HG2 VAL 37 HG12 VAL 37 5.381 -5.864 -7.903 295 3HG2 VAL 37 HG13 VAL 37 5.303 -4.402 -8.887 296 HA PRO 38 HA PRO 38 6.806 -0.127 -4.853 297 1HB PRO 38 HB1 PRO 38 8.256 1.050 -7.131 298 2HB PRO 38 HB2 PRO 38 8.589 1.190 -5.400 299 1HG PRO 38 HG2 PRO 38 10.135 -0.236 -7.106 300 2HG PRO 38 HG1 PRO 38 9.964 -0.623 -5.389 301 1HD PRO 38 HD1 PRO 38 8.755 -1.950 -7.760 302 2HD PRO 38 HD2 PRO 38 9.292 -2.649 -6.218 303 H GLY 39 HN GLY 39 7.095 0.174 -8.412 304 1HA GLY 39 HA1 GLY 39 5.046 1.990 -8.813 305 2HA GLY 39 HA2 GLY 39 5.476 0.783 -10.015 306 H ALA 40 HN ALA 40 4.678 -1.481 -8.252 307 HA ALA 40 HA ALA 40 1.884 -1.618 -9.000 308 1HB ALA 40 HB1 ALA 40 3.295 -3.299 -6.926 309 2HB ALA 40 HB2 ALA 40 3.638 -3.475 -8.648 310 3HB ALA 40 HB3 ALA 40 2.015 -3.790 -8.036 311 H TYR 41 HN TYR 41 3.411 -1.643 -5.748 312 HA TYR 41 HA TYR 41 1.069 -1.195 -4.220 313 1HB TYR 41 HB2 TYR 41 3.245 -1.806 -3.283 314 2HB TYR 41 HB1 TYR 41 3.951 -0.294 -3.849 315 HD1 TYR 41 HD1 TYR 41 1.510 -1.781 -1.480 316 HD2 TYR 41 HD2 TYR 41 3.628 1.764 -2.659 317 HE1 TYR 41 HE1 TYR 41 0.792 -0.655 0.611 318 HE2 TYR 41 HE2 TYR 41 2.911 2.888 -0.568 319 HH TYR 41 HH TYR 41 0.446 1.828 1.336 320 H LEU 42 HN LEU 42 3.348 1.142 -5.637 321 HA LEU 42 HA LEU 42 2.133 3.560 -4.787 322 1HB LEU 42 HB2 LEU 42 4.320 3.376 -5.872 323 2HB LEU 42 HB1 LEU 42 3.584 2.727 -7.333 324 HG LEU 42 HG LEU 42 2.215 5.086 -7.027 325 1HD1 LEU 42 HD11 LEU 42 3.423 6.145 -5.362 326 2HD1 LEU 42 HD12 LEU 42 4.379 6.630 -6.762 327 3HD1 LEU 42 HD13 LEU 42 4.911 5.283 -5.756 328 1HD2 LEU 42 HD21 LEU 42 4.875 4.938 -8.455 329 2HD2 LEU 42 HD22 LEU 42 3.405 5.774 -8.962 330 3HD2 LEU 42 HD23 LEU 42 3.483 4.012 -9.019 331 H GLU 43 HN GLU 43 1.322 1.339 -7.425 332 HA GLU 43 HA GLU 43 -0.696 3.073 -8.627 333 1HB GLU 43 HB1 GLU 43 0.696 1.058 -9.574 334 2HB GLU 43 HB2 GLU 43 -0.563 0.066 -8.842 335 1HG GLU 43 HG1 GLU 43 -2.194 0.819 -10.296 336 2HG GLU 43 HG2 GLU 43 -1.417 2.387 -10.519 337 H TYR 44 HN TYR 44 -0.905 0.013 -6.765 338 HA TYR 44 HA TYR 44 -3.658 -0.122 -6.303 339 1HB TYR 44 HB1 TYR 44 -1.273 -0.715 -4.509 340 2HB TYR 44 HB2 TYR 44 -2.906 -1.294 -4.172 341 HD1 TYR 44 HD1 TYR 44 0.080 -2.404 -5.372 342 HD2 TYR 44 HD2 TYR 44 -4.021 -2.157 -6.623 343 HE1 TYR 44 HE1 TYR 44 0.440 -4.303 -6.925 344 HE2 TYR 44 HE2 TYR 44 -3.662 -4.058 -8.175 345 HH TYR 44 HH TYR 44 -0.891 -5.035 -9.269 346 H LYS 45 HN LYS 45 -1.236 1.605 -4.318 347 HA LYS 45 HA LYS 45 -2.910 2.763 -2.387 348 1HB LYS 45 HB2 LYS 45 -0.272 3.081 -3.506 349 2HB LYS 45 HB1 LYS 45 -0.965 4.678 -3.239 350 1HG LYS 45 HG1 LYS 45 -1.504 2.848 -1.023 351 2HG LYS 45 HG2 LYS 45 0.223 3.073 -1.301 352 1HD LYS 45 HD1 LYS 45 -0.188 4.893 0.065 353 2HD LYS 45 HD2 LYS 45 -0.509 5.627 -1.506 354 1HE LYS 45 HE1 LYS 45 -2.822 4.232 -0.265 355 2HE LYS 45 HE2 LYS 45 -2.291 5.714 0.549 356 1HZ LYS 45 HZ1 LYS 45 -2.719 6.985 -1.278 357 2HZ LYS 45 HZ2 LYS 45 -3.880 5.779 -1.552 358 3HZ LYS 45 HZ3 LYS 45 -2.402 5.736 -2.383 359 H SER 46 HN SER 46 -2.030 4.108 -5.594 360 HA SER 46 HA SER 46 -3.727 6.422 -5.400 361 1HB SER 46 HB2 SER 46 -1.967 5.084 -7.264 362 2HB SER 46 HB1 SER 46 -3.394 5.684 -8.103 363 HG SER 46 HG SER 46 -1.913 7.331 -8.036 364 H ALA 47 HN ALA 47 -4.276 3.115 -6.500 365 HA ALA 47 HA ALA 47 -6.757 3.579 -7.879 366 1HB ALA 47 HB1 ALA 47 -6.720 0.963 -6.819 367 2HB ALA 47 HB2 ALA 47 -5.023 1.403 -7.028 368 3HB ALA 47 HB3 ALA 47 -6.124 1.463 -8.403 369 H LEU 48 HN LEU 48 -6.049 2.508 -4.534 370 HA LEU 48 HA LEU 48 -8.837 2.287 -3.776 371 1HB LEU 48 HB2 LEU 48 -6.366 2.727 -2.057 372 2HB LEU 48 HB1 LEU 48 -7.884 1.995 -1.544 373 HG LEU 48 HG LEU 48 -5.896 0.868 -3.535 374 1HD1 LEU 48 HD21 LEU 48 -5.176 0.369 -1.341 375 2HD1 LEU 48 HD22 LEU 48 -6.071 -1.066 -1.839 376 3HD1 LEU 48 HD23 LEU 48 -6.825 0.116 -0.769 377 1HD2 LEU 48 HD11 LEU 48 -7.498 -1.080 -3.618 378 2HD2 LEU 48 HD12 LEU 48 -8.093 0.382 -4.403 379 3HD2 LEU 48 HD13 LEU 48 -8.681 -0.059 -2.800 380 H LEU 49 HN LEU 49 -6.427 4.866 -3.661 381 HA LEU 49 HA LEU 49 -7.850 6.683 -1.960 382 1HB LEU 49 HB2 LEU 49 -5.456 6.531 -3.480 383 2HB LEU 49 HB1 LEU 49 -6.301 7.967 -4.053 384 HG LEU 49 HG LEU 49 -4.766 8.416 -2.123 385 1HD1 LEU 49 HD21 LEU 49 -6.435 10.039 -2.324 386 2HD1 LEU 49 HD22 LEU 49 -6.695 9.465 -0.677 387 3HD1 LEU 49 HD23 LEU 49 -7.730 8.892 -1.985 388 1HD2 LEU 49 HD11 LEU 49 -6.002 6.087 -1.088 389 2HD2 LEU 49 HD12 LEU 49 -6.512 7.421 -0.054 390 3HD2 LEU 49 HD13 LEU 49 -4.795 7.100 -0.297 391 H ASN 50 HN ASN 50 -7.808 6.257 -5.504 392 HA ASN 50 HA ASN 50 -9.748 8.381 -5.981 393 1HB ASN 50 HB2 ASN 50 -7.859 7.205 -7.457 394 2HB ASN 50 HB1 ASN 50 -9.189 6.133 -7.893 395 1HD2 ASN 50 HD22 ASN 50 -8.211 7.675 -9.955 396 2HD2 ASN 50 HD21 ASN 50 -9.275 8.946 -10.320 397 H GLU 51 HN GLU 51 -9.883 4.797 -6.157 398 HA GLU 51 HA GLU 51 -12.632 4.540 -6.788 399 1HB GLU 51 HB2 GLU 51 -10.979 2.718 -6.834 400 2HB GLU 51 HB1 GLU 51 -10.780 2.826 -5.087 401 1HG GLU 51 HG1 GLU 51 -12.293 0.970 -5.704 402 2HG GLU 51 HG2 GLU 51 -13.143 2.204 -4.777 403 H CYS 52 HN CYS 52 -11.056 4.628 -3.571 404 HA CYS 52 HA CYS 52 -13.420 4.358 -2.003 405 1HB CYS 52 HB1 CYS 52 -11.110 4.136 -1.169 406 2HB CYS 52 HB2 CYS 52 -10.811 5.839 -1.504 407 HG CYS 52 HG CYS 52 -13.120 5.203 0.465 408 H HIS 53 HN HIS 53 -11.755 7.287 -3.212 409 HA HIS 53 HA HIS 53 -13.406 9.244 -2.007 410 1HB HIS 53 HB1 HIS 53 -11.227 9.343 -3.458 411 2HB HIS 53 HB2 HIS 53 -12.340 9.449 -4.821 412 HD1 HIS 53 HD1 HIS 53 -14.523 11.242 -3.744 413 HD2 HIS 53 HD2 HIS 53 -10.482 11.978 -3.033 414 HE1 HIS 53 HE1 HIS 53 -14.329 13.707 -3.198 415 H LYS 54 HN LYS 54 -13.930 7.261 -4.890 416 HA LYS 54 HA LYS 54 -16.297 8.721 -5.764 417 1HB LYS 54 HB2 LYS 54 -14.481 6.918 -6.813 418 2HB LYS 54 HB1 LYS 54 -15.918 5.922 -6.606 419 1HG LYS 54 HG2 LYS 54 -15.930 6.955 -8.829 420 2HG LYS 54 HG1 LYS 54 -17.249 7.600 -7.857 421 1HD LYS 54 HD2 LYS 54 -15.990 9.357 -9.138 422 2HD LYS 54 HD1 LYS 54 -15.992 9.631 -7.400 423 1HE LYS 54 HE1 LYS 54 -13.728 9.452 -7.296 424 2HE LYS 54 HE2 LYS 54 -13.741 7.960 -8.253 425 1HZ LYS 54 HZ1 LYS 54 -12.725 10.043 -9.316 426 2HZ LYS 54 HZ2 LYS 54 -14.325 10.587 -9.482 427 3HZ LYS 54 HZ3 LYS 54 -13.834 9.151 -10.243 428 H GLN 55 HN GLN 55 -15.745 5.550 -4.191 429 HA GLN 55 HA GLN 55 -18.586 5.026 -3.844 430 1HB GLN 55 HB2 GLN 55 -16.118 3.829 -2.529 431 2HB GLN 55 HB1 GLN 55 -17.716 3.085 -2.595 432 1HG GLN 55 HG2 GLN 55 -16.046 3.812 -5.021 433 2HG GLN 55 HG1 GLN 55 -16.180 2.189 -4.343 434 1HE2 GLN 55 HE21 GLN 55 -17.038 2.511 -6.969 435 2HE2 GLN 55 HE22 GLN 55 -18.732 2.453 -7.046 436 H GLY 56 HN GLY 56 -16.179 6.772 -2.038 437 1HA GLY 56 HA2 GLY 56 -16.354 7.974 -0.027 438 2HA GLY 56 HA1 GLY 56 -18.102 7.793 -0.168 439 H GLY 57 HN GLY 57 -15.718 5.176 0.010 440 1HA GLY 57 HA2 GLY 57 -15.537 4.454 2.606 441 2HA GLY 57 HA1 GLY 57 -17.215 4.025 2.274 442 H LEU 58 HN LEU 58 -14.098 2.832 2.261 443 HA LEU 58 HA LEU 58 -14.862 0.670 0.324 444 1HB LEU 58 HB1 LEU 58 -12.600 2.510 0.472 445 2HB LEU 58 HB2 LEU 58 -12.059 0.832 0.463 446 HG LEU 58 HG LEU 58 -13.974 2.071 -1.538 447 1HD1 LEU 58 HD21 LEU 58 -11.158 2.201 -1.375 448 2HD1 LEU 58 HD22 LEU 58 -12.165 2.629 -2.758 449 3HD1 LEU 58 HD23 LEU 58 -11.516 0.997 -2.613 450 1HD2 LEU 58 HD11 LEU 58 -12.863 -0.709 -1.149 451 2HD2 LEU 58 HD12 LEU 58 -13.416 -0.157 -2.730 452 3HD2 LEU 58 HD13 LEU 58 -14.543 -0.222 -1.374 453 H ARG 59 HN ARG 59 -15.537 -0.807 1.956 454 HA ARG 59 HA ARG 59 -14.379 -1.306 4.458 455 1HB ARG 59 HB1 ARG 59 -15.980 -2.770 2.428 456 2HB ARG 59 HB2 ARG 59 -15.184 -3.782 3.633 457 1HG ARG 59 HG2 ARG 59 -16.142 -2.017 5.333 458 2HG ARG 59 HG1 ARG 59 -17.269 -1.655 4.026 459 1HD ARG 59 HD2 ARG 59 -18.296 -3.734 4.158 460 2HD ARG 59 HD1 ARG 59 -16.826 -4.534 4.748 461 HE ARG 59 HE ARG 59 -17.455 -3.919 6.945 462 1HH1 ARG 59 HH22 ARG 59 -19.149 -1.991 4.592 463 2HH1 ARG 59 HH21 ARG 59 -20.137 -1.213 5.780 464 1HH2 ARG 59 HH12 ARG 59 -18.750 -2.896 8.466 465 2HH2 ARG 59 HH11 ARG 59 -19.914 -1.720 7.956 466 H LEU 60 HN LEU 60 -13.241 -3.599 4.887 467 HA LEU 60 HA LEU 60 -10.707 -3.503 3.349 468 1HB LEU 60 HB1 LEU 60 -10.846 -3.413 5.865 469 2HB LEU 60 HB2 LEU 60 -11.488 -5.054 5.843 470 HG LEU 60 HG LEU 60 -9.445 -5.899 4.834 471 1HD1 LEU 60 HD11 LEU 60 -8.341 -4.483 3.453 472 2HD1 LEU 60 HD12 LEU 60 -7.603 -3.820 4.914 473 3HD1 LEU 60 HD13 LEU 60 -9.041 -3.058 4.232 474 1HD2 LEU 60 HD21 LEU 60 -9.650 -5.031 7.395 475 2HD2 LEU 60 HD22 LEU 60 -8.249 -4.097 6.869 476 3HD2 LEU 60 HD23 LEU 60 -8.224 -5.858 6.770 477 H ALA 61 HN ALA 61 -13.437 -5.678 3.947 478 HA ALA 61 HA ALA 61 -12.217 -8.062 2.853 479 1HB ALA 61 HB1 ALA 61 -14.472 -8.907 2.960 480 2HB ALA 61 HB2 ALA 61 -15.151 -7.283 2.853 481 3HB ALA 61 HB3 ALA 61 -14.310 -7.793 4.317 482 H GLN 62 HN GLN 62 -14.652 -5.838 1.422 483 HA GLN 62 HA GLN 62 -14.544 -6.763 -1.254 484 1HB GLN 62 HB1 GLN 62 -14.789 -3.945 -0.125 485 2HB GLN 62 HB2 GLN 62 -15.282 -4.428 -1.746 486 1HG GLN 62 HG2 GLN 62 -16.505 -6.284 -0.025 487 2HG GLN 62 HG1 GLN 62 -16.712 -4.719 0.762 488 1HE2 GLN 62 HE21 GLN 62 -18.915 -6.170 -0.435 489 2HE2 GLN 62 HE22 GLN 62 -19.480 -5.260 -1.752 490 H ALA 63 HN ALA 63 -12.304 -4.888 0.643 491 HA ALA 63 HA ALA 63 -10.683 -3.719 -1.327 492 1HB ALA 63 HB1 ALA 63 -10.773 -4.021 1.427 493 2HB ALA 63 HB2 ALA 63 -9.564 -3.114 0.542 494 3HB ALA 63 HB3 ALA 63 -9.252 -4.792 0.976 495 H ARG 64 HN ARG 64 -10.051 -6.781 0.355 496 HA ARG 64 HA ARG 64 -7.888 -7.651 -1.275 497 1HB ARG 64 HB2 ARG 64 -10.039 -9.433 -0.090 498 2HB ARG 64 HB1 ARG 64 -8.339 -9.815 -0.312 499 1HG ARG 64 HG2 ARG 64 -7.959 -9.099 1.796 500 2HG ARG 64 HG1 ARG 64 -8.399 -7.476 1.264 501 1HD ARG 64 HD2 ARG 64 -10.726 -7.873 1.730 502 2HD ARG 64 HD1 ARG 64 -10.381 -9.560 2.173 503 HE ARG 64 HE ARG 64 -8.831 -7.496 3.623 504 1HH1 ARG 64 HH21 ARG 64 -11.545 -9.691 3.618 505 2HH1 ARG 64 HH22 ARG 64 -11.690 -9.677 5.338 506 1HH2 ARG 64 HH11 ARG 64 -9.053 -7.506 5.852 507 2HH2 ARG 64 HH12 ARG 64 -10.298 -8.454 6.593 508 H ALA 65 HN ALA 65 -11.360 -7.707 -1.800 509 HA ALA 65 HA ALA 65 -11.228 -9.496 -4.114 510 1HB ALA 65 HB1 ALA 65 -13.550 -7.696 -3.672 511 2HB ALA 65 HB2 ALA 65 -13.117 -8.719 -2.302 512 3HB ALA 65 HB3 ALA 65 -13.512 -9.450 -3.858 513 H LEU 66 HN LEU 66 -10.761 -6.098 -3.617 514 HA LEU 66 HA LEU 66 -11.546 -5.369 -6.366 515 1HB LEU 66 HB1 LEU 66 -12.003 -3.857 -4.508 516 2HB LEU 66 HB2 LEU 66 -10.307 -3.862 -4.033 517 HG LEU 66 HG LEU 66 -9.822 -2.957 -6.400 518 1HD1 LEU 66 HD11 LEU 66 -11.954 -3.464 -7.439 519 2HD1 LEU 66 HD12 LEU 66 -11.770 -1.710 -7.384 520 3HD1 LEU 66 HD13 LEU 66 -12.816 -2.525 -6.221 521 1HD2 LEU 66 HD21 LEU 66 -11.413 -0.846 -5.144 522 2HD2 LEU 66 HD22 LEU 66 -9.671 -0.929 -5.414 523 3HD2 LEU 66 HD23 LEU 66 -10.383 -1.699 -3.995 524 H ILE 67 HN ILE 67 -8.580 -4.233 -4.786 525 HA ILE 67 HA ILE 67 -7.104 -4.688 -7.285 526 HB ILE 67 HB ILE 67 -5.344 -3.436 -6.026 527 1HG1 ILE 67 HG11 ILE 67 -7.321 -3.182 -3.765 528 2HG1 ILE 67 HG12 ILE 67 -6.143 -4.494 -3.791 529 1HG2 ILE 67 HG21 ILE 67 -7.202 -2.257 -7.226 530 2HG2 ILE 67 HG22 ILE 67 -6.557 -1.341 -5.864 531 3HG2 ILE 67 HG23 ILE 67 -8.091 -2.198 -5.703 532 1HD1 ILE 67 HD11 ILE 67 -4.356 -2.703 -4.144 533 2HD1 ILE 67 HD12 ILE 67 -5.123 -2.710 -2.556 534 3HD1 ILE 67 HD13 ILE 67 -5.601 -1.514 -3.760 535 H LYS 68 HN LYS 68 -4.602 -5.285 -6.532 536 HA LYS 68 HA LYS 68 -3.205 -7.125 -6.043 537 1HB LYS 68 HB2 LYS 68 -5.193 -7.299 -3.756 538 2HB LYS 68 HB1 LYS 68 -3.559 -7.959 -3.749 539 1HG LYS 68 HG2 LYS 68 -3.623 -5.126 -4.490 540 2HG LYS 68 HG1 LYS 68 -4.285 -5.418 -2.882 541 1HD LYS 68 HD1 LYS 68 -2.172 -5.569 -2.115 542 2HD LYS 68 HD2 LYS 68 -1.993 -7.044 -3.061 543 1HE LYS 68 HE2 LYS 68 -1.693 -4.440 -4.505 544 2HE LYS 68 HE1 LYS 68 -0.365 -4.965 -3.456 545 1HZ LYS 68 HZ1 LYS 68 -0.834 -7.252 -4.611 546 2HZ LYS 68 HZ2 LYS 68 0.139 -6.089 -5.374 547 3HZ LYS 68 HZ3 LYS 68 -1.482 -6.273 -5.839 548 H ILE 69 HN ILE 69 -4.005 -9.582 -4.715 549 HA ILE 69 HA ILE 69 -6.117 -10.695 -6.484 550 HB ILE 69 HB ILE 69 -4.617 -12.372 -7.384 551 1HG1 ILE 69 HG12 ILE 69 -3.243 -12.609 -5.281 552 2HG1 ILE 69 HG11 ILE 69 -2.306 -12.598 -6.770 553 1HG2 ILE 69 HG21 ILE 69 -3.179 -11.000 -8.732 554 2HG2 ILE 69 HG22 ILE 69 -3.150 -9.730 -7.509 555 3HG2 ILE 69 HG23 ILE 69 -4.635 -10.061 -8.401 556 1HD1 ILE 69 HD11 ILE 69 -1.058 -10.980 -5.811 557 2HD1 ILE 69 HD12 ILE 69 -2.232 -10.730 -4.523 558 3HD1 ILE 69 HD13 ILE 69 -2.426 -9.903 -6.064 559 H ASP 70 HN ASP 70 -3.926 -11.188 -3.720 560 HA ASP 70 HA ASP 70 -5.512 -13.562 -2.895 561 1HB ASP 70 HB2 ASP 70 -2.873 -13.157 -3.044 562 2HB ASP 70 HB1 ASP 70 -3.129 -12.511 -1.425 563 H VAL 71 HN VAL 71 -4.454 -12.799 -0.029 564 HA VAL 71 HA VAL 71 -6.611 -10.810 0.577 565 HB VAL 71 HB VAL 71 -7.246 -13.192 0.989 566 1HG1 VAL 71 HG21 VAL 71 -5.147 -13.205 3.161 567 2HG1 VAL 71 HG22 VAL 71 -4.798 -13.819 1.546 568 3HG1 VAL 71 HG23 VAL 71 -6.065 -14.566 2.519 569 1HG2 VAL 71 HG11 VAL 71 -6.818 -11.585 3.527 570 2HG2 VAL 71 HG12 VAL 71 -8.001 -12.873 3.303 571 3HG2 VAL 71 HG13 VAL 71 -8.159 -11.364 2.403 572 H ASN 72 HN ASN 72 -3.587 -12.327 1.768 573 HA ASN 72 HA ASN 72 -3.273 -10.448 3.975 574 1HB ASN 72 HB1 ASN 72 -1.673 -12.578 2.577 575 2HB ASN 72 HB2 ASN 72 -0.844 -11.488 3.688 576 1HD2 ASN 72 HD22 ASN 72 -2.765 -14.330 3.522 577 2HD2 ASN 72 HD21 ASN 72 -3.118 -14.464 5.176 578 H LYS 73 HN LYS 73 -2.463 -10.522 0.599 579 HA LYS 73 HA LYS 73 -0.407 -8.495 0.582 580 1HB LYS 73 HB1 LYS 73 -2.208 -9.969 -1.288 581 2HB LYS 73 HB2 LYS 73 -1.521 -8.467 -1.888 582 1HG LYS 73 HG2 LYS 73 -0.129 -10.498 -2.393 583 2HG LYS 73 HG1 LYS 73 0.729 -9.248 -1.501 584 1HD LYS 73 HD1 LYS 73 1.288 -11.289 -0.410 585 2HD LYS 73 HD2 LYS 73 0.079 -10.540 0.627 586 1HE LYS 73 HE1 LYS 73 -0.335 -12.997 0.215 587 2HE LYS 73 HE2 LYS 73 -1.672 -11.971 -0.325 588 1HZ LYS 73 HZ1 LYS 73 -0.642 -13.720 -1.942 589 2HZ LYS 73 HZ2 LYS 73 0.553 -12.536 -2.172 590 3HZ LYS 73 HZ3 LYS 73 -1.072 -12.185 -2.523 591 H THR 74 HN THR 74 -3.881 -8.379 -0.340 592 HA THR 74 HA THR 74 -4.031 -5.507 -0.481 593 HB THR 74 HB THR 74 -6.247 -7.433 0.293 594 HG1 THR 74 HG1 THR 74 -5.593 -8.435 -1.448 595 1HG2 THR 74 HG21 THR 74 -7.151 -5.283 0.251 596 2HG2 THR 74 HG22 THR 74 -7.401 -5.783 -1.423 597 3HG2 THR 74 HG23 THR 74 -6.044 -4.737 -1.009 598 H ARG 75 HN ARG 75 -4.839 -7.860 2.079 599 HA ARG 75 HA ARG 75 -5.811 -6.239 4.103 600 1HB ARG 75 HB2 ARG 75 -5.547 -8.676 4.229 601 2HB ARG 75 HB1 ARG 75 -3.791 -8.509 4.237 602 1HG ARG 75 HG2 ARG 75 -5.273 -6.985 6.317 603 2HG ARG 75 HG1 ARG 75 -5.245 -8.738 6.501 604 1HD ARG 75 HD1 ARG 75 -2.616 -7.679 5.768 605 2HD ARG 75 HD2 ARG 75 -3.214 -7.006 7.296 606 HE ARG 75 HE ARG 75 -3.758 -9.828 7.190 607 1HH1 ARG 75 HH11 ARG 75 -1.162 -7.545 7.596 608 2HH1 ARG 75 HH12 ARG 75 -0.208 -8.631 8.546 609 1HH2 ARG 75 HH22 ARG 75 -2.501 -11.219 8.427 610 2HH2 ARG 75 HH21 ARG 75 -0.958 -10.695 9.014 611 H LYS 76 HN LYS 76 -2.419 -6.547 3.065 612 HA LYS 76 HA LYS 76 -1.395 -4.931 5.248 613 1HB LYS 76 HB2 LYS 76 -0.417 -6.223 2.762 614 2HB LYS 76 HB1 LYS 76 0.542 -4.880 3.391 615 1HG LYS 76 HG2 LYS 76 -0.156 -6.372 5.655 616 2HG LYS 76 HG1 LYS 76 0.241 -7.571 4.441 617 1HD LYS 76 HD1 LYS 76 2.396 -7.184 5.077 618 2HD LYS 76 HD2 LYS 76 2.251 -5.739 4.076 619 1HE LYS 76 HE2 LYS 76 1.323 -4.564 6.168 620 2HE LYS 76 HE1 LYS 76 1.913 -5.968 7.078 621 1HZ LYS 76 HZ1 LYS 76 4.089 -5.568 6.447 622 2HZ LYS 76 HZ2 LYS 76 3.506 -3.989 6.670 623 3HZ LYS 76 HZ3 LYS 76 3.650 -4.627 5.102 624 H ILE 77 HN ILE 77 -1.419 -4.250 1.713 625 HA ILE 77 HA ILE 77 -0.868 -1.491 1.863 626 HB ILE 77 HB ILE 77 -2.666 -3.039 -0.043 627 1HG1 ILE 77 HG11 ILE 77 0.296 -2.389 -0.091 628 2HG1 ILE 77 HG12 ILE 77 -0.432 -3.984 0.061 629 1HG2 ILE 77 HG21 ILE 77 -2.936 -1.144 -1.242 630 2HG2 ILE 77 HG22 ILE 77 -1.213 -0.776 -1.157 631 3HG2 ILE 77 HG23 ILE 77 -2.289 -0.265 0.144 632 1HD1 ILE 77 HD11 ILE 77 0.312 -3.575 -2.255 633 2HD1 ILE 77 HD12 ILE 77 -0.730 -2.153 -2.332 634 3HD1 ILE 77 HD13 ILE 77 -1.441 -3.758 -2.164 635 H TYR 78 HN TYR 78 -4.114 -2.934 1.474 636 HA TYR 78 HA TYR 78 -5.622 -0.587 1.774 637 1HB TYR 78 HB2 TYR 78 -5.986 -3.400 1.609 638 2HB TYR 78 HB1 TYR 78 -6.941 -2.846 2.981 639 HD1 TYR 78 HD1 TYR 78 -8.576 -0.938 2.651 640 HD2 TYR 78 HD2 TYR 78 -6.645 -2.939 -0.622 641 HE1 TYR 78 HE1 TYR 78 -10.288 -0.045 1.095 642 HE2 TYR 78 HE2 TYR 78 -8.359 -2.051 -2.176 643 HH TYR 78 HH TYR 78 -10.967 -1.218 -1.750 644 H ASP 79 HN ASP 79 -4.750 -2.925 4.394 645 HA ASP 79 HA ASP 79 -6.100 -1.690 6.517 646 1HB ASP 79 HB1 ASP 79 -4.922 -3.796 6.741 647 2HB ASP 79 HB2 ASP 79 -3.374 -3.027 6.390 648 H PHE 80 HN PHE 80 -2.985 -0.745 5.071 649 HA PHE 80 HA PHE 80 -2.350 1.279 7.020 650 1HB PHE 80 HB1 PHE 80 -0.808 0.198 5.341 651 2HB PHE 80 HB2 PHE 80 -1.624 1.116 4.073 652 HD1 PHE 80 HD1 PHE 80 -0.192 2.825 3.353 653 HD2 PHE 80 HD2 PHE 80 -0.583 2.036 7.557 654 HE1 PHE 80 HE1 PHE 80 1.233 4.792 3.854 655 HE2 PHE 80 HE2 PHE 80 0.842 4.003 8.059 656 HZ PHE 80 HZ PHE 80 1.750 5.381 6.208 657 H LEU 81 HN LEU 81 -3.824 1.515 3.764 658 HA LEU 81 HA LEU 81 -4.341 4.329 3.856 659 1HB LEU 81 HB1 LEU 81 -6.126 2.343 2.437 660 2HB LEU 81 HB2 LEU 81 -5.624 3.936 1.896 661 HG LEU 81 HG LEU 81 -4.042 1.365 1.877 662 1HD1 LEU 81 HD21 LEU 81 -4.659 3.509 -0.170 663 2HD1 LEU 81 HD22 LEU 81 -5.325 1.876 -0.118 664 3HD1 LEU 81 HD23 LEU 81 -3.613 2.120 -0.465 665 1HD2 LEU 81 HD11 LEU 81 -2.141 2.979 1.057 666 2HD2 LEU 81 HD12 LEU 81 -2.385 2.746 2.788 667 3HD2 LEU 81 HD13 LEU 81 -3.014 4.190 1.996 668 H ILE 82 HN ILE 82 -6.367 1.539 4.753 669 HA ILE 82 HA ILE 82 -8.758 2.905 5.440 670 HB ILE 82 HB ILE 82 -7.381 0.434 6.563 671 1HG1 ILE 82 HG11 ILE 82 -7.920 0.449 4.115 672 2HG1 ILE 82 HG12 ILE 82 -8.779 -0.799 5.013 673 1HG2 ILE 82 HG21 ILE 82 -9.682 1.788 7.548 674 2HG2 ILE 82 HG22 ILE 82 -9.055 0.217 8.048 675 3HG2 ILE 82 HG23 ILE 82 -10.243 0.319 6.749 676 1HD1 ILE 82 HD11 ILE 82 -9.880 1.872 4.096 677 2HD1 ILE 82 HD12 ILE 82 -10.740 0.775 5.177 678 3HD1 ILE 82 HD13 ILE 82 -10.360 0.272 3.530 679 H ARG 83 HN ARG 83 -6.398 1.626 7.791 680 HA ARG 83 HA ARG 83 -7.285 3.076 10.035 681 1HB ARG 83 HB1 ARG 83 -4.742 1.783 9.114 682 2HB ARG 83 HB2 ARG 83 -4.707 2.707 10.608 683 1HG ARG 83 HG2 ARG 83 -5.196 0.315 11.012 684 2HG ARG 83 HG1 ARG 83 -6.537 1.347 11.484 685 1HD ARG 83 HD1 ARG 83 -7.732 0.831 9.411 686 2HD ARG 83 HD2 ARG 83 -6.354 -0.127 8.832 687 HE ARG 83 HE ARG 83 -6.996 -1.847 10.329 688 1HH1 ARG 83 HH11 ARG 83 -8.528 1.165 11.167 689 2HH1 ARG 83 HH12 ARG 83 -9.520 0.447 12.387 690 1HH2 ARG 83 HH22 ARG 83 -8.295 -2.754 11.919 691 2HH2 ARG 83 HH21 ARG 83 -9.392 -1.753 12.811 692 H GLU 84 HN GLU 84 -5.410 4.168 7.300 693 HA GLU 84 HA GLU 84 -4.439 6.583 8.708 694 1HB GLU 84 HB1 GLU 84 -4.175 5.379 5.944 695 2HB GLU 84 HB2 GLU 84 -3.574 6.998 6.296 696 1HG GLU 84 HG2 GLU 84 -2.819 4.659 8.042 697 2HG GLU 84 HG1 GLU 84 -1.926 5.010 6.562 698 H GLY 85 HN GLY 85 -4.669 8.537 6.834 699 1HA GLY 85 HA1 GLY 85 -7.598 9.055 6.800 700 2HA GLY 85 HA2 GLY 85 -6.343 10.282 6.614 701 H TYR 86 HN TYR 86 -5.899 7.311 4.899 702 HA TYR 86 HA TYR 86 -5.998 8.743 2.353 703 1HB TYR 86 HB2 TYR 86 -5.257 6.017 3.408 704 2HB TYR 86 HB1 TYR 86 -5.363 6.288 1.676 705 HD1 TYR 86 HD1 TYR 86 -4.291 8.787 1.058 706 HD2 TYR 86 HD2 TYR 86 -3.086 6.152 4.229 707 HE1 TYR 86 HE1 TYR 86 -2.048 9.845 1.084 708 HE2 TYR 86 HE2 TYR 86 -0.843 7.210 4.255 709 HH TYR 86 HH TYR 86 0.582 8.540 2.363 710 H ILE 87 HN ILE 87 -7.814 6.110 3.938 711 HA ILE 87 HA ILE 87 -10.119 6.697 2.166 712 HB ILE 87 HB ILE 87 -10.249 4.281 1.541 713 1HG1 ILE 87 HG11 ILE 87 -7.489 4.042 2.754 714 2HG1 ILE 87 HG12 ILE 87 -8.949 3.555 3.614 715 1HG2 ILE 87 HG21 ILE 87 -8.495 4.338 -0.100 716 2HG2 ILE 87 HG22 ILE 87 -7.513 5.408 0.900 717 3HG2 ILE 87 HG23 ILE 87 -8.996 6.009 0.160 718 1HD1 ILE 87 HD11 ILE 87 -7.813 2.414 1.058 719 2HD1 ILE 87 HD12 ILE 87 -9.496 2.153 1.518 720 3HD1 ILE 87 HD13 ILE 87 -8.197 1.569 2.557 721 H THR 88 HN THR 88 -11.633 4.422 2.907 722 HA THR 88 HA THR 88 -11.604 4.283 5.865 723 HB THR 88 HB THR 88 -14.160 4.984 5.612 724 HG1 THR 88 HG1 THR 88 -13.807 5.116 3.267 725 1HG2 THR 88 HG21 THR 88 -12.433 7.360 5.296 726 2HG2 THR 88 HG22 THR 88 -11.900 6.222 6.533 727 3HG2 THR 88 HG23 THR 88 -13.516 6.924 6.617 728 H LYS 89 HN LYS 89 -14.084 3.153 6.265 729 HA LYS 89 HA LYS 89 -14.257 0.889 4.335 730 1HB LYS 89 HB1 LYS 89 -14.413 -0.628 6.347 731 2HB LYS 89 HB2 LYS 89 -12.839 0.143 6.151 732 1HG LYS 89 HG2 LYS 89 -13.645 1.951 7.707 733 2HG LYS 89 HG1 LYS 89 -15.059 0.955 8.040 734 1HD LYS 89 HD2 LYS 89 -13.873 -0.517 9.315 735 2HD LYS 89 HD1 LYS 89 -12.469 -0.455 8.249 736 1HE LYS 89 HE1 LYS 89 -11.834 0.549 10.375 737 2HE LYS 89 HE2 LYS 89 -11.989 1.863 9.194 738 1HZ LYS 89 HZ1 LYS 89 -13.216 2.224 11.338 739 2HZ LYS 89 HZ2 LYS 89 -14.228 0.928 10.910 740 3HZ LYS 89 HZ3 LYS 89 -14.181 2.324 9.943 741 H ALA 90 HN ALA 90 -15.949 3.310 4.983 742 HA ALA 90 HA ALA 90 -18.237 3.808 5.299 743 1HB ALA 90 HB1 ALA 90 -19.371 2.500 3.816 744 2HB ALA 90 HB2 ALA 90 -19.075 1.043 4.765 745 3HB ALA 90 HB3 ALA 90 -17.857 1.615 3.625 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 20.635 -14.369 -0.270 2 2H GLY 1 HT2 GLY 1 19.392 -13.241 -0.527 3 3H GLY 1 HT3 GLY 1 20.413 -13.087 0.821 4 1HA GLY 1 HA1 GLY 1 22.314 -12.754 -0.705 5 2HA GLY 1 HA2 GLY 1 21.151 -12.732 -2.031 6 H SER 2 HN SER 2 22.917 -10.678 -0.297 7 HA SER 2 HA SER 2 22.722 -8.389 0.257 8 1HB SER 2 HB1 SER 2 21.450 -9.000 -2.198 9 2HB SER 2 HB2 SER 2 20.367 -7.887 -1.362 10 HG SER 2 HG SER 2 21.984 -6.406 -1.225 11 H ASN 3 HN ASN 3 21.949 -8.959 2.460 12 HA ASN 3 HA ASN 3 19.038 -8.992 2.931 13 1HB ASN 3 HB1 ASN 3 21.587 -9.402 4.444 14 2HB ASN 3 HB2 ASN 3 20.162 -8.946 5.377 15 1HD2 ASN 3 HD21 ASN 3 21.678 -11.634 5.050 16 2HD2 ASN 3 HD22 ASN 3 20.449 -12.743 4.677 17 H SER 4 HN SER 4 19.565 -6.582 1.748 18 HA SER 4 HA SER 4 19.528 -4.647 4.043 19 1HB SER 4 HB1 SER 4 20.901 -4.690 1.377 20 2HB SER 4 HB2 SER 4 20.394 -3.128 2.019 21 HG SER 4 HG SER 4 21.528 -3.686 3.953 22 H GLY 5 HN GLY 5 18.523 -5.048 0.622 23 1HA GLY 5 HA1 GLY 5 16.389 -4.629 -0.320 24 2HA GLY 5 HA2 GLY 5 15.814 -4.157 1.279 25 H ARG 6 HN ARG 6 17.603 -3.031 -1.559 26 HA ARG 6 HA ARG 6 16.605 -0.306 -1.143 27 1HB ARG 6 HB2 ARG 6 18.541 -0.550 0.434 28 2HB ARG 6 HB1 ARG 6 19.576 -0.929 -0.942 29 1HG ARG 6 HG2 ARG 6 18.314 1.401 -1.746 30 2HG ARG 6 HG1 ARG 6 18.571 1.669 -0.022 31 1HD ARG 6 HD1 ARG 6 20.779 0.659 -1.838 32 2HD ARG 6 HD2 ARG 6 20.506 2.386 -1.536 33 HE ARG 6 HE ARG 6 21.614 0.488 0.366 34 1HH1 ARG 6 HH11 ARG 6 19.619 3.320 0.031 35 2HH1 ARG 6 HH12 ARG 6 19.947 3.876 1.636 36 1HH2 ARG 6 HH22 ARG 6 22.025 1.229 2.445 37 2HH2 ARG 6 HH21 ARG 6 21.298 2.703 2.994 38 H ARG 7 HN ARG 7 16.679 0.853 -3.092 39 HA ARG 7 HA ARG 7 18.477 0.146 -5.272 40 1HB ARG 7 HB2 ARG 7 16.243 -1.477 -4.864 41 2HB ARG 7 HB1 ARG 7 15.720 -0.372 -6.136 42 1HG ARG 7 HG2 ARG 7 18.272 -1.010 -6.947 43 2HG ARG 7 HG1 ARG 7 17.726 -2.526 -6.229 44 1HD ARG 7 HD2 ARG 7 15.717 -2.504 -7.651 45 2HD ARG 7 HD1 ARG 7 16.210 -0.947 -8.343 46 HE ARG 7 HE ARG 7 18.291 -2.997 -8.502 47 1HH1 ARG 7 HH12 ARG 7 15.473 -1.629 -10.022 48 2HH1 ARG 7 HH11 ARG 7 15.920 -2.180 -11.598 49 1HH2 ARG 7 HH21 ARG 7 18.849 -3.702 -10.560 50 2HH2 ARG 7 HH22 ARG 7 17.816 -3.345 -11.903 51 H SER 8 HN SER 8 17.735 1.344 -7.340 52 HA SER 8 HA SER 8 17.182 3.409 -8.342 53 1HB SER 8 HB1 SER 8 14.961 2.229 -7.132 54 2HB SER 8 HB2 SER 8 14.906 3.896 -6.558 55 HG SER 8 HG SER 8 15.123 4.545 -8.760 56 H ALA 9 HN ALA 9 16.527 5.806 -7.655 57 HA ALA 9 HA ALA 9 18.562 6.941 -6.101 58 1HB ALA 9 HB1 ALA 9 16.325 8.612 -5.831 59 2HB ALA 9 HB2 ALA 9 15.994 7.680 -7.291 60 3HB ALA 9 HB3 ALA 9 17.474 8.631 -7.169 61 HA PRO 10 HA PRO 10 17.701 6.603 -1.808 62 1HB PRO 10 HB1 PRO 10 17.057 9.244 -1.062 63 2HB PRO 10 HB2 PRO 10 18.686 8.552 -1.123 64 1HG PRO 10 HG1 PRO 10 17.285 10.255 -3.103 65 2HG PRO 10 HG2 PRO 10 18.997 10.214 -2.654 66 1HD PRO 10 HD1 PRO 10 18.109 9.139 -4.939 67 2HD PRO 10 HD2 PRO 10 19.443 8.407 -4.028 68 HA PRO 11 HA PRO 11 13.227 6.162 -2.437 69 1HB PRO 11 HB1 PRO 11 13.570 4.619 0.103 70 2HB PRO 11 HB2 PRO 11 12.762 4.138 -1.399 71 1HG PRO 11 HG1 PRO 11 15.139 3.150 -0.741 72 2HG PRO 11 HG2 PRO 11 14.738 3.537 -2.421 73 1HD PRO 11 HD2 PRO 11 16.459 5.030 -0.494 74 2HD PRO 11 HD1 PRO 11 16.651 4.800 -2.244 75 H LEU 12 HN LEU 12 11.658 5.867 -0.087 76 HA LEU 12 HA LEU 12 12.180 8.395 1.439 77 1HB LEU 12 HB2 LEU 12 9.725 7.462 -0.062 78 2HB LEU 12 HB1 LEU 12 9.626 8.687 1.205 79 HG LEU 12 HG LEU 12 11.636 9.763 -0.149 80 1HD1 LEU 12 HD21 LEU 12 12.038 8.879 -2.179 81 2HD1 LEU 12 HD22 LEU 12 10.332 8.998 -2.611 82 3HD1 LEU 12 HD23 LEU 12 10.934 7.564 -1.778 83 1HD2 LEU 12 HD11 LEU 12 9.286 10.639 0.288 84 2HD2 LEU 12 HD12 LEU 12 8.830 9.930 -1.261 85 3HD2 LEU 12 HD13 LEU 12 10.047 11.206 -1.199 86 H ASN 13 HN ASN 13 12.682 7.308 3.378 87 HA ASN 13 HA ASN 13 12.294 6.025 5.330 88 1HB ASN 13 HB2 ASN 13 9.423 6.458 4.432 89 2HB ASN 13 HB1 ASN 13 9.951 6.084 6.072 90 1HD2 ASN 13 HD21 ASN 13 11.376 7.766 7.144 91 2HD2 ASN 13 HD22 ASN 13 11.198 9.393 6.695 92 H LEU 14 HN LEU 14 12.335 4.773 2.514 93 HA LEU 14 HA LEU 14 11.198 2.123 3.302 94 1HB LEU 14 HB1 LEU 14 9.769 3.438 1.686 95 2HB LEU 14 HB2 LEU 14 11.124 3.447 0.567 96 HG LEU 14 HG LEU 14 9.139 1.575 0.550 97 1HD1 LEU 14 HD21 LEU 14 11.725 0.458 -0.257 98 2HD1 LEU 14 HD22 LEU 14 11.457 2.103 -0.828 99 3HD1 LEU 14 HD23 LEU 14 10.306 0.829 -1.232 100 1HD2 LEU 14 HD11 LEU 14 11.423 0.144 1.899 101 2HD2 LEU 14 HD12 LEU 14 9.833 -0.494 1.479 102 3HD2 LEU 14 HD13 LEU 14 9.994 0.692 2.773 103 H THR 15 HN THR 15 13.926 3.402 3.341 104 HA THR 15 HA THR 15 15.323 1.595 1.394 105 HB THR 15 HB THR 15 15.643 3.968 0.932 106 HG1 THR 15 HG1 THR 15 17.869 2.928 2.350 107 1HG2 THR 15 HG21 THR 15 16.252 4.109 3.890 108 2HG2 THR 15 HG22 THR 15 15.020 4.994 2.989 109 3HG2 THR 15 HG23 THR 15 16.726 5.387 2.770 110 H GLY 16 HN GLY 16 17.008 0.307 2.208 111 1HA GLY 16 HA2 GLY 16 18.215 -0.893 3.822 112 2HA GLY 16 HA1 GLY 16 18.290 0.623 4.721 113 H LEU 17 HN LEU 17 15.188 -0.750 3.893 114 HA LEU 17 HA LEU 17 14.743 -1.303 6.797 115 1HB LEU 17 HB1 LEU 17 13.061 -0.450 4.457 116 2HB LEU 17 HB2 LEU 17 12.284 -1.180 5.849 117 HG LEU 17 HG LEU 17 14.260 1.036 6.274 118 1HD1 LEU 17 HD21 LEU 17 12.699 1.837 4.515 119 2HD1 LEU 17 HD22 LEU 17 12.466 2.692 6.039 120 3HD1 LEU 17 HD23 LEU 17 11.338 1.425 5.559 121 1HD2 LEU 17 HD11 LEU 17 13.523 0.111 8.299 122 2HD2 LEU 17 HD12 LEU 17 11.890 -0.160 7.691 123 3HD2 LEU 17 HD13 LEU 17 12.424 1.474 8.086 124 HA PRO 18 HA PRO 18 13.926 -5.504 5.805 125 1HB PRO 18 HB2 PRO 18 11.997 -6.130 7.675 126 2HB PRO 18 HB1 PRO 18 13.682 -5.779 8.094 127 1HG PRO 18 HG2 PRO 18 11.290 -4.187 8.570 128 2HG PRO 18 HG1 PRO 18 12.906 -4.017 9.263 129 1HD PRO 18 HD1 PRO 18 11.680 -2.517 7.109 130 2HD PRO 18 HD2 PRO 18 13.225 -2.219 7.928 131 H GLY 19 HN GLY 19 10.615 -4.360 6.601 132 1HA GLY 19 HA1 GLY 19 9.198 -6.165 5.019 133 2HA GLY 19 HA2 GLY 19 8.614 -4.541 5.372 134 H THR 20 HN THR 20 11.066 -3.414 3.956 135 HA THR 20 HA THR 20 9.978 -2.788 1.464 136 HB THR 20 HB THR 20 12.929 -3.253 1.956 137 HG1 THR 20 HG1 THR 20 12.524 -2.152 3.712 138 1HG2 THR 20 HG21 THR 20 12.924 -0.955 0.755 139 2HG2 THR 20 HG22 THR 20 11.256 -1.340 0.331 140 3HG2 THR 20 HG23 THR 20 12.569 -2.388 -0.211 141 H GLU 21 HN GLU 21 12.624 -5.178 1.875 142 HA GLU 21 HA GLU 21 12.564 -6.256 -0.703 143 1HB GLU 21 HB1 GLU 21 13.557 -8.277 0.445 144 2HB GLU 21 HB2 GLU 21 14.293 -6.750 0.933 145 1HG GLU 21 HG1 GLU 21 13.424 -6.844 3.037 146 2HG GLU 21 HG2 GLU 21 11.946 -7.651 2.516 147 H LYS 22 HN LYS 22 10.267 -6.733 1.885 148 HA LYS 22 HA LYS 22 9.095 -9.173 0.772 149 1HB LYS 22 HB2 LYS 22 7.985 -7.149 2.752 150 2HB LYS 22 HB1 LYS 22 7.454 -8.816 2.554 151 1HG LYS 22 HG2 LYS 22 9.874 -9.481 3.095 152 2HG LYS 22 HG1 LYS 22 10.095 -7.817 3.632 153 1HD LYS 22 HD2 LYS 22 8.971 -8.197 5.556 154 2HD LYS 22 HD1 LYS 22 7.649 -8.996 4.704 155 1HE LYS 22 HE1 LYS 22 8.962 -11.087 4.604 156 2HE LYS 22 HE2 LYS 22 10.304 -10.286 5.444 157 1HZ LYS 22 HZ1 LYS 22 8.953 -9.901 7.329 158 2HZ LYS 22 HZ2 LYS 22 8.686 -11.525 6.910 159 3HZ LYS 22 HZ3 LYS 22 7.533 -10.344 6.510 160 H LEU 23 HN LEU 23 8.610 -5.704 0.437 161 HA LEU 23 HA LEU 23 6.000 -5.779 -0.784 162 1HB LEU 23 HB2 LEU 23 8.334 -3.840 -1.030 163 2HB LEU 23 HB1 LEU 23 6.675 -3.485 -1.510 164 HG LEU 23 HG LEU 23 7.592 -4.194 1.294 165 1HD1 LEU 23 HD21 LEU 23 6.468 -1.581 0.252 166 2HD1 LEU 23 HD22 LEU 23 8.198 -1.891 0.399 167 3HD1 LEU 23 HD23 LEU 23 7.177 -1.888 1.837 168 1HD2 LEU 23 HD11 LEU 23 4.883 -3.580 0.096 169 2HD2 LEU 23 HD12 LEU 23 5.205 -3.463 1.826 170 3HD2 LEU 23 HD13 LEU 23 5.364 -5.014 1.002 171 H ASN 24 HN ASN 24 5.459 -6.320 -2.882 172 HA ASN 24 HA ASN 24 7.256 -7.625 -4.652 173 1HB ASN 24 HB1 ASN 24 4.509 -6.601 -4.589 174 2HB ASN 24 HB2 ASN 24 5.208 -6.531 -6.207 175 1HD2 ASN 24 HD21 ASN 24 3.414 -8.545 -4.301 176 2HD2 ASN 24 HD22 ASN 24 3.912 -10.049 -4.912 177 H GLU 25 HN GLU 25 7.962 -6.813 -6.823 178 HA GLU 25 HA GLU 25 9.547 -4.500 -6.740 179 1HB GLU 25 HB1 GLU 25 8.535 -6.430 -8.681 180 2HB GLU 25 HB2 GLU 25 8.737 -4.837 -9.410 181 1HG GLU 25 HG1 GLU 25 10.983 -5.036 -9.386 182 2HG GLU 25 HG2 GLU 25 10.978 -5.474 -7.678 183 H LYS 26 HN LYS 26 6.112 -4.790 -7.361 184 HA LYS 26 HA LYS 26 5.882 -2.027 -8.387 185 1HB LYS 26 HB2 LYS 26 3.968 -4.298 -7.756 186 2HB LYS 26 HB1 LYS 26 3.416 -2.726 -8.336 187 1HG LYS 26 HG2 LYS 26 5.262 -3.153 -10.201 188 2HG LYS 26 HG1 LYS 26 4.978 -4.839 -9.771 189 1HD LYS 26 HD2 LYS 26 3.453 -4.308 -11.554 190 2HD LYS 26 HD1 LYS 26 2.500 -4.387 -10.072 191 1HE LYS 26 HE2 LYS 26 1.744 -2.313 -10.653 192 2HE LYS 26 HE1 LYS 26 3.344 -1.729 -10.160 193 1HZ LYS 26 HZ1 LYS 26 2.610 -1.264 -12.552 194 2HZ LYS 26 HZ2 LYS 26 2.878 -2.917 -12.832 195 3HZ LYS 26 HZ3 LYS 26 4.159 -1.922 -12.328 196 H GLU 27 HN GLU 27 4.987 -3.889 -5.472 197 HA GLU 27 HA GLU 27 3.676 -1.752 -4.086 198 1HB GLU 27 HB2 GLU 27 5.189 -4.231 -3.196 199 2HB GLU 27 HB1 GLU 27 4.238 -3.230 -2.099 200 1HG GLU 27 HG1 GLU 27 2.222 -3.638 -3.425 201 2HG GLU 27 HG2 GLU 27 3.156 -4.566 -4.599 202 H LYS 28 HN LYS 28 7.085 -2.797 -4.196 203 HA LYS 28 HA LYS 28 8.158 -1.129 -2.175 204 1HB LYS 28 HB2 LYS 28 9.208 -2.062 -4.868 205 2HB LYS 28 HB1 LYS 28 10.221 -1.278 -3.657 206 1HG LYS 28 HG2 LYS 28 9.785 -3.053 -2.058 207 2HG LYS 28 HG1 LYS 28 8.596 -3.786 -3.137 208 1HD LYS 28 HD1 LYS 28 10.535 -5.069 -3.520 209 2HD LYS 28 HD2 LYS 28 10.562 -3.902 -4.842 210 1HE LYS 28 HE2 LYS 28 12.672 -3.407 -4.117 211 2HE LYS 28 HE1 LYS 28 11.868 -2.556 -2.784 212 1HZ LYS 28 HZ1 LYS 28 11.745 -4.726 -1.618 213 2HZ LYS 28 HZ2 LYS 28 13.340 -4.198 -1.863 214 3HZ LYS 28 HZ3 LYS 28 12.688 -5.417 -2.850 215 H GLU 29 HN GLU 29 7.685 -0.438 -5.656 216 HA GLU 29 HA GLU 29 8.591 2.281 -5.578 217 1HB GLU 29 HB1 GLU 29 7.906 0.483 -7.478 218 2HB GLU 29 HB2 GLU 29 6.413 1.421 -7.437 219 1HG GLU 29 HG2 GLU 29 9.201 2.557 -7.830 220 2HG GLU 29 HG1 GLU 29 7.992 2.347 -9.097 221 H LEU 30 HN LEU 30 5.517 0.746 -4.812 222 HA LEU 30 HA LEU 30 3.791 3.004 -4.861 223 1HB LEU 30 HB1 LEU 30 3.807 0.281 -4.015 224 2HB LEU 30 HB2 LEU 30 3.240 1.234 -2.643 225 HG LEU 30 HG LEU 30 2.143 1.662 -5.424 226 1HD1 LEU 30 HD21 LEU 30 1.768 -0.627 -3.673 227 2HD1 LEU 30 HD22 LEU 30 1.163 -0.366 -5.308 228 3HD1 LEU 30 HD23 LEU 30 0.250 0.235 -3.924 229 1HD2 LEU 30 HD11 LEU 30 1.385 3.424 -4.145 230 2HD2 LEU 30 HD12 LEU 30 1.508 2.518 -2.637 231 3HD2 LEU 30 HD13 LEU 30 0.149 2.238 -3.726 232 H CYS 31 HN CYS 31 5.786 1.698 -2.184 233 HA CYS 31 HA CYS 31 5.087 3.823 -0.332 234 1HB CYS 31 HB1 CYS 31 6.880 1.470 -0.536 235 2HB CYS 31 HB2 CYS 31 7.466 2.747 0.530 236 HG CYS 31 HG CYS 31 5.909 1.657 2.151 237 H GLN 32 HN GLN 32 7.819 3.224 -2.543 238 HA GLN 32 HA GLN 32 9.513 5.361 -1.795 239 1HB GLN 32 HB1 GLN 32 8.932 3.703 -4.204 240 2HB GLN 32 HB2 GLN 32 9.857 5.179 -4.482 241 1HG GLN 32 HG2 GLN 32 11.486 4.502 -2.781 242 2HG GLN 32 HG1 GLN 32 10.547 3.054 -2.427 243 1HE2 GLN 32 HE22 GLN 32 10.507 1.343 -4.086 244 2HE2 GLN 32 HE21 GLN 32 11.665 1.305 -5.326 245 H VAL 33 HN VAL 33 6.464 5.372 -3.493 246 HA VAL 33 HA VAL 33 6.783 8.172 -4.419 247 HB VAL 33 HB VAL 33 4.552 6.107 -4.587 248 1HG1 VAL 33 HG11 VAL 33 3.286 7.961 -4.983 249 2HG1 VAL 33 HG12 VAL 33 4.068 7.930 -6.564 250 3HG1 VAL 33 HG13 VAL 33 4.696 8.976 -5.289 251 1HG2 VAL 33 HG21 VAL 33 5.329 5.605 -6.733 252 2HG2 VAL 33 HG22 VAL 33 6.840 5.873 -5.864 253 3HG2 VAL 33 HG23 VAL 33 6.178 7.143 -6.893 254 H VAL 34 HN VAL 34 4.283 6.374 -2.586 255 HA VAL 34 HA VAL 34 3.508 8.806 -1.129 256 HB VAL 34 HB VAL 34 1.873 7.095 -1.851 257 1HG1 VAL 34 HG11 VAL 34 2.374 4.914 -1.703 258 2HG1 VAL 34 HG12 VAL 34 2.393 5.036 0.056 259 3HG1 VAL 34 HG13 VAL 34 3.873 5.315 -0.862 260 1HG2 VAL 34 HG21 VAL 34 2.254 7.240 1.153 261 2HG2 VAL 34 HG22 VAL 34 0.772 6.716 0.353 262 3HG2 VAL 34 HG23 VAL 34 1.338 8.375 0.161 263 H ARG 35 HN ARG 35 5.663 9.158 -0.197 264 HA ARG 35 HA ARG 35 7.412 7.768 1.245 265 1HB ARG 35 HB1 ARG 35 7.507 9.724 2.825 266 2HB ARG 35 HB2 ARG 35 7.410 10.187 1.125 267 1HG ARG 35 HG1 ARG 35 5.509 11.314 1.540 268 2HG ARG 35 HG2 ARG 35 4.762 9.816 2.090 269 1HD ARG 35 HD2 ARG 35 5.506 10.188 4.361 270 2HD ARG 35 HD1 ARG 35 6.513 11.556 3.854 271 HE ARG 35 HE ARG 35 3.618 11.611 4.225 272 1HH1 ARG 35 HH11 ARG 35 6.305 12.951 2.464 273 2HH1 ARG 35 HH12 ARG 35 5.484 14.435 2.124 274 1HH2 ARG 35 HH22 ARG 35 2.574 13.545 3.770 275 2HH2 ARG 35 HH21 ARG 35 3.388 14.770 2.856 276 H LEU 36 HN LEU 36 6.736 5.833 2.222 277 HA LEU 36 HA LEU 36 5.397 6.162 4.869 278 1HB LEU 36 HB1 LEU 36 4.161 5.185 2.538 279 2HB LEU 36 HB2 LEU 36 4.567 3.742 3.460 280 HG LEU 36 HG LEU 36 3.591 5.425 5.412 281 1HD1 LEU 36 HD11 LEU 36 2.918 7.003 3.551 282 2HD1 LEU 36 HD12 LEU 36 1.584 6.469 4.574 283 3HD1 LEU 36 HD13 LEU 36 1.815 5.752 2.979 284 1HD2 LEU 36 HD21 LEU 36 1.388 4.047 4.897 285 2HD2 LEU 36 HD22 LEU 36 2.840 3.226 5.471 286 3HD2 LEU 36 HD23 LEU 36 2.438 3.209 3.753 287 H VAL 37 HN VAL 37 5.328 3.487 5.595 288 HA VAL 37 HA VAL 37 8.172 2.583 5.287 289 HB VAL 37 HB VAL 37 7.820 1.773 7.720 290 1HG1 VAL 37 HG21 VAL 37 8.267 4.086 8.612 291 2HG1 VAL 37 HG22 VAL 37 7.891 4.717 7.009 292 3HG1 VAL 37 HG23 VAL 37 9.272 3.644 7.232 293 1HG2 VAL 37 HG11 VAL 37 5.240 2.427 7.329 294 2HG2 VAL 37 HG12 VAL 37 5.815 3.942 8.021 295 3HG2 VAL 37 HG13 VAL 37 5.993 2.437 8.923 296 HA PRO 38 HA PRO 38 6.650 -1.296 4.060 297 1HB PRO 38 HB1 PRO 38 8.534 -2.669 5.892 298 2HB PRO 38 HB2 PRO 38 8.443 -2.715 4.127 299 1HG PRO 38 HG2 PRO 38 10.386 -1.407 5.443 300 2HG PRO 38 HG1 PRO 38 9.760 -0.868 3.880 301 1HD PRO 38 HD1 PRO 38 9.257 0.222 6.602 302 2HD PRO 38 HD2 PRO 38 9.364 1.069 5.041 303 H GLY 39 HN GLY 39 7.602 -1.990 7.449 304 1HA GLY 39 HA1 GLY 39 5.665 -3.886 8.014 305 2HA GLY 39 HA2 GLY 39 6.304 -2.802 9.242 306 H ALA 40 HN ALA 40 5.216 -0.369 8.010 307 HA ALA 40 HA ALA 40 2.521 -0.516 9.134 308 1HB ALA 40 HB1 ALA 40 3.446 1.773 7.465 309 2HB ALA 40 HB2 ALA 40 4.369 1.409 8.923 310 3HB ALA 40 HB3 ALA 40 2.652 1.786 9.039 311 H TYR 41 HN TYR 41 3.701 0.447 5.884 312 HA TYR 41 HA TYR 41 1.230 0.338 4.517 313 1HB TYR 41 HB2 TYR 41 3.387 1.215 3.660 314 2HB TYR 41 HB1 TYR 41 4.031 -0.423 3.599 315 HD1 TYR 41 HD1 TYR 41 2.218 2.093 1.815 316 HD2 TYR 41 HD2 TYR 41 2.719 -2.157 2.183 317 HE1 TYR 41 HE1 TYR 41 1.226 1.781 -0.436 318 HE2 TYR 41 HE2 TYR 41 1.727 -2.469 -0.068 319 HH TYR 41 HH TYR 41 0.482 -1.419 -1.687 320 H LEU 42 HN LEU 42 3.647 -2.219 5.039 321 HA LEU 42 HA LEU 42 2.402 -4.368 3.685 322 1HB LEU 42 HB2 LEU 42 4.653 -4.457 4.590 323 2HB LEU 42 HB1 LEU 42 4.067 -4.136 6.220 324 HG LEU 42 HG LEU 42 2.654 -6.413 5.429 325 1HD1 LEU 42 HD11 LEU 42 5.543 -6.529 4.521 326 2HD1 LEU 42 HD12 LEU 42 4.112 -6.735 3.511 327 3HD1 LEU 42 HD13 LEU 42 4.512 -7.945 4.731 328 1HD2 LEU 42 HD21 LEU 42 4.594 -7.465 6.943 329 2HD2 LEU 42 HD22 LEU 42 3.366 -6.402 7.630 330 3HD2 LEU 42 HD23 LEU 42 4.958 -5.760 7.220 331 H GLU 43 HN GLU 43 1.843 -3.030 6.931 332 HA GLU 43 HA GLU 43 -0.079 -5.069 7.728 333 1HB GLU 43 HB1 GLU 43 1.123 -2.562 8.717 334 2HB GLU 43 HB2 GLU 43 -0.537 -2.807 9.257 335 1HG GLU 43 HG2 GLU 43 1.361 -5.118 9.406 336 2HG GLU 43 HG1 GLU 43 1.501 -3.841 10.614 337 H TYR 44 HN TYR 44 -0.482 -1.595 6.937 338 HA TYR 44 HA TYR 44 -3.264 -1.433 6.813 339 1HB TYR 44 HB1 TYR 44 -1.005 -0.179 5.237 340 2HB TYR 44 HB2 TYR 44 -2.676 0.328 4.987 341 HD1 TYR 44 HD1 TYR 44 0.230 1.055 6.777 342 HD2 TYR 44 HD2 TYR 44 -4.009 0.648 7.342 343 HE1 TYR 44 HE1 TYR 44 0.362 2.475 8.807 344 HE2 TYR 44 HE2 TYR 44 -3.875 2.068 9.370 345 HH TYR 44 HH TYR 44 -2.307 3.868 10.252 346 H LYS 45 HN LYS 45 -1.088 -2.266 4.084 347 HA LYS 45 HA LYS 45 -3.029 -2.784 2.112 348 1HB LYS 45 HB1 LYS 45 -0.316 -2.924 2.365 349 2HB LYS 45 HB2 LYS 45 -0.713 -4.641 2.321 350 1HG LYS 45 HG1 LYS 45 -2.293 -3.626 0.302 351 2HG LYS 45 HG2 LYS 45 -0.843 -2.630 0.177 352 1HD LYS 45 HD1 LYS 45 0.477 -4.395 -0.447 353 2HD LYS 45 HD2 LYS 45 -0.393 -5.538 0.576 354 1HE LYS 45 HE2 LYS 45 -2.244 -5.622 -1.032 355 2HE LYS 45 HE1 LYS 45 -1.447 -4.399 -2.040 356 1HZ LYS 45 HZ1 LYS 45 0.321 -5.826 -2.502 357 2HZ LYS 45 HZ2 LYS 45 -1.026 -6.856 -2.587 358 3HZ LYS 45 HZ3 LYS 45 -0.038 -6.863 -1.206 359 H SER 46 HN SER 46 -1.710 -5.015 4.586 360 HA SER 46 HA SER 46 -3.204 -7.323 3.785 361 1HB SER 46 HB1 SER 46 -1.554 -6.357 6.011 362 2HB SER 46 HB2 SER 46 -2.819 -7.464 6.545 363 HG SER 46 HG SER 46 -0.807 -7.896 4.608 364 H ALA 47 HN ALA 47 -4.019 -4.548 5.815 365 HA ALA 47 HA ALA 47 -6.402 -5.650 7.001 366 1HB ALA 47 HB1 ALA 47 -5.015 -3.051 6.681 367 2HB ALA 47 HB2 ALA 47 -5.756 -3.754 8.118 368 3HB ALA 47 HB3 ALA 47 -6.758 -2.928 6.924 369 H LEU 48 HN LEU 48 -5.739 -4.035 3.930 370 HA LEU 48 HA LEU 48 -8.526 -3.537 3.262 371 1HB LEU 48 HB2 LEU 48 -6.078 -3.812 1.478 372 2HB LEU 48 HB1 LEU 48 -7.568 -2.955 1.086 373 HG LEU 48 HG LEU 48 -5.572 -2.225 3.250 374 1HD1 LEU 48 HD21 LEU 48 -4.686 -1.361 1.286 375 2HD1 LEU 48 HD22 LEU 48 -5.747 -0.037 1.768 376 3HD1 LEU 48 HD23 LEU 48 -6.270 -1.180 0.531 377 1HD2 LEU 48 HD11 LEU 48 -8.395 -1.412 2.759 378 2HD2 LEU 48 HD12 LEU 48 -7.257 -0.130 3.177 379 3HD2 LEU 48 HD13 LEU 48 -7.495 -1.491 4.274 380 H LEU 49 HN LEU 49 -6.150 -6.055 2.376 381 HA LEU 49 HA LEU 49 -7.810 -7.535 0.593 382 1HB LEU 49 HB2 LEU 49 -5.535 -8.245 2.471 383 2HB LEU 49 HB1 LEU 49 -6.207 -9.401 1.322 384 HG LEU 49 HG LEU 49 -5.128 -6.676 0.545 385 1HD1 LEU 49 HD21 LEU 49 -3.745 -9.249 -0.116 386 2HD1 LEU 49 HD22 LEU 49 -3.525 -8.570 1.497 387 3HD1 LEU 49 HD23 LEU 49 -3.068 -7.631 0.076 388 1HD2 LEU 49 HD11 LEU 49 -6.731 -7.498 -1.056 389 2HD2 LEU 49 HD12 LEU 49 -6.030 -9.116 -1.008 390 3HD2 LEU 49 HD13 LEU 49 -5.128 -7.785 -1.733 391 H ASN 50 HN ASN 50 -7.301 -7.895 4.118 392 HA ASN 50 HA ASN 50 -9.139 -10.102 4.419 393 1HB ASN 50 HB1 ASN 50 -7.205 -8.818 5.902 394 2HB ASN 50 HB2 ASN 50 -8.681 -8.280 6.705 395 1HD2 ASN 50 HD21 ASN 50 -6.792 -10.109 7.934 396 2HD2 ASN 50 HD22 ASN 50 -7.577 -11.601 8.135 397 H GLU 51 HN GLU 51 -9.457 -6.633 5.313 398 HA GLU 51 HA GLU 51 -12.153 -6.700 6.149 399 1HB GLU 51 HB1 GLU 51 -10.340 -4.850 6.219 400 2HB GLU 51 HB2 GLU 51 -10.868 -4.445 4.586 401 1HG GLU 51 HG2 GLU 51 -12.790 -3.489 5.326 402 2HG GLU 51 HG1 GLU 51 -13.084 -4.781 6.491 403 H CYS 52 HN CYS 52 -10.834 -6.111 2.871 404 HA CYS 52 HA CYS 52 -13.338 -5.669 1.570 405 1HB CYS 52 HB1 CYS 52 -11.131 -5.138 0.621 406 2HB CYS 52 HB2 CYS 52 -10.710 -6.848 0.595 407 HG CYS 52 HG CYS 52 -13.249 -6.229 -0.997 408 H HIS 53 HN HIS 53 -11.592 -8.637 2.398 409 HA HIS 53 HA HIS 53 -13.219 -10.442 0.843 410 1HB HIS 53 HB1 HIS 53 -10.901 -10.704 2.020 411 2HB HIS 53 HB2 HIS 53 -11.849 -11.084 3.457 412 HD1 HIS 53 HD1 HIS 53 -14.156 -12.561 1.758 413 HD2 HIS 53 HD2 HIS 53 -10.076 -13.405 1.647 414 HE1 HIS 53 HE1 HIS 53 -13.941 -14.946 0.936 415 H LYS 54 HN LYS 54 -13.571 -8.938 4.002 416 HA LYS 54 HA LYS 54 -15.631 -10.679 5.026 417 1HB LYS 54 HB2 LYS 54 -14.843 -7.798 5.559 418 2HB LYS 54 HB1 LYS 54 -15.948 -8.707 6.584 419 1HG LYS 54 HG1 LYS 54 -13.090 -9.462 5.946 420 2HG LYS 54 HG2 LYS 54 -13.610 -8.706 7.440 421 1HD LYS 54 HD2 LYS 54 -14.300 -10.665 8.302 422 2HD LYS 54 HD1 LYS 54 -15.220 -11.052 6.848 423 1HE LYS 54 HE2 LYS 54 -12.393 -11.182 6.300 424 2HE LYS 54 HE1 LYS 54 -12.798 -12.241 7.668 425 1HZ LYS 54 HZ1 LYS 54 -13.198 -13.410 5.599 426 2HZ LYS 54 HZ2 LYS 54 -14.174 -12.143 5.027 427 3HZ LYS 54 HZ3 LYS 54 -14.686 -13.080 6.348 428 H GLN 55 HN GLN 55 -15.769 -7.461 3.453 429 HA GLN 55 HA GLN 55 -18.707 -7.623 3.239 430 1HB GLN 55 HB1 GLN 55 -16.621 -5.624 2.286 431 2HB GLN 55 HB2 GLN 55 -18.363 -5.360 2.224 432 1HG GLN 55 HG2 GLN 55 -17.240 -6.184 4.853 433 2HG GLN 55 HG1 GLN 55 -16.844 -4.556 4.305 434 1HE2 GLN 55 HE22 GLN 55 -18.945 -5.898 6.324 435 2HE2 GLN 55 HE21 GLN 55 -20.349 -4.998 6.006 436 H GLY 56 HN GLY 56 -15.928 -8.381 1.295 437 1HA GLY 56 HA2 GLY 56 -16.091 -9.697 -0.725 438 2HA GLY 56 HA1 GLY 56 -17.738 -9.104 -0.944 439 H GLY 57 HN GLY 57 -17.043 -6.311 -0.448 440 1HA GLY 57 HA1 GLY 57 -15.141 -5.671 -2.631 441 2HA GLY 57 HA2 GLY 57 -16.800 -5.098 -2.805 442 H LEU 58 HN LEU 58 -14.448 -3.411 -2.549 443 HA LEU 58 HA LEU 58 -15.271 -1.912 -0.105 444 1HB LEU 58 HB1 LEU 58 -12.811 -3.387 -0.577 445 2HB LEU 58 HB2 LEU 58 -12.464 -1.679 -0.314 446 HG LEU 58 HG LEU 58 -14.226 -3.363 1.491 447 1HD1 LEU 58 HD21 LEU 58 -12.335 -4.132 2.433 448 2HD1 LEU 58 HD22 LEU 58 -11.861 -2.474 2.793 449 3HD1 LEU 58 HD23 LEU 58 -11.365 -3.224 1.275 450 1HD2 LEU 58 HD11 LEU 58 -13.352 -0.503 1.417 451 2HD2 LEU 58 HD12 LEU 58 -13.516 -1.279 2.992 452 3HD2 LEU 58 HD13 LEU 58 -14.902 -1.189 1.905 453 H ARG 59 HN ARG 59 -15.976 -0.021 -1.027 454 HA ARG 59 HA ARG 59 -15.151 1.036 -3.541 455 1HB ARG 59 HB1 ARG 59 -17.214 1.511 -2.084 456 2HB ARG 59 HB2 ARG 59 -16.181 2.592 -1.149 457 1HG ARG 59 HG1 ARG 59 -16.194 4.183 -2.768 458 2HG ARG 59 HG2 ARG 59 -15.987 2.996 -4.056 459 1HD ARG 59 HD1 ARG 59 -18.454 2.369 -3.659 460 2HD ARG 59 HD2 ARG 59 -18.559 3.869 -2.718 461 HE ARG 59 HE ARG 59 -18.238 3.683 -5.620 462 1HH1 ARG 59 HH22 ARG 59 -17.633 5.589 -2.771 463 2HH1 ARG 59 HH21 ARG 59 -17.532 7.074 -3.652 464 1HH2 ARG 59 HH12 ARG 59 -18.103 5.622 -6.742 465 2HH2 ARG 59 HH11 ARG 59 -17.796 7.095 -5.884 466 H LEU 60 HN LEU 60 -14.117 3.326 -3.688 467 HA LEU 60 HA LEU 60 -11.508 3.222 -2.316 468 1HB LEU 60 HB2 LEU 60 -11.832 3.642 -4.776 469 2HB LEU 60 HB1 LEU 60 -12.648 5.151 -4.374 470 HG LEU 60 HG LEU 60 -10.630 6.025 -3.333 471 1HD1 LEU 60 HD11 LEU 60 -9.880 3.199 -3.350 472 2HD1 LEU 60 HD12 LEU 60 -9.242 4.524 -2.367 473 3HD1 LEU 60 HD13 LEU 60 -8.597 4.231 -3.984 474 1HD2 LEU 60 HD21 LEU 60 -9.393 4.857 -5.757 475 2HD2 LEU 60 HD22 LEU 60 -9.618 6.549 -5.310 476 3HD2 LEU 60 HD23 LEU 60 -10.954 5.638 -6.014 477 H ALA 61 HN ALA 61 -14.494 5.070 -2.186 478 HA ALA 61 HA ALA 61 -13.441 7.330 -0.694 479 1HB ALA 61 HB1 ALA 61 -15.534 7.476 -1.912 480 2HB ALA 61 HB2 ALA 61 -15.932 7.592 -0.198 481 3HB ALA 61 HB3 ALA 61 -16.187 6.075 -1.062 482 H GLN 62 HN GLN 62 -15.486 4.557 0.346 483 HA GLN 62 HA GLN 62 -15.240 4.892 3.143 484 1HB GLN 62 HB1 GLN 62 -15.384 2.398 1.406 485 2HB GLN 62 HB2 GLN 62 -15.692 2.413 3.142 486 1HG GLN 62 HG2 GLN 62 -17.521 4.051 2.788 487 2HG GLN 62 HG1 GLN 62 -17.229 3.983 1.050 488 1HE2 GLN 62 HE22 GLN 62 -18.346 2.048 3.834 489 2HE2 GLN 62 HE21 GLN 62 -19.129 0.862 2.906 490 H ALA 63 HN ALA 63 -12.989 3.668 0.766 491 HA ALA 63 HA ALA 63 -11.115 2.367 2.510 492 1HB ALA 63 HB1 ALA 63 -9.687 3.372 0.372 493 2HB ALA 63 HB2 ALA 63 -11.335 3.392 -0.254 494 3HB ALA 63 HB3 ALA 63 -10.632 1.886 0.319 495 H ARG 64 HN ARG 64 -11.265 5.671 1.173 496 HA ARG 64 HA ARG 64 -8.921 6.740 2.326 497 1HB ARG 64 HB2 ARG 64 -11.553 7.678 1.311 498 2HB ARG 64 HB1 ARG 64 -10.706 8.808 2.356 499 1HG ARG 64 HG1 ARG 64 -10.004 9.286 0.127 500 2HG ARG 64 HG2 ARG 64 -8.659 8.471 0.927 501 1HD ARG 64 HD1 ARG 64 -8.735 7.227 -0.997 502 2HD ARG 64 HD2 ARG 64 -9.932 6.314 -0.072 503 HE ARG 64 HE ARG 64 -11.601 7.214 -1.495 504 1HH1 ARG 64 HH12 ARG 64 -8.699 9.132 -1.633 505 2HH1 ARG 64 HH11 ARG 64 -9.309 10.163 -2.881 506 1HH2 ARG 64 HH22 ARG 64 -12.369 8.566 -3.115 507 2HH2 ARG 64 HH21 ARG 64 -11.369 9.846 -3.715 508 H ALA 65 HN ALA 65 -12.138 6.224 3.718 509 HA ALA 65 HA ALA 65 -11.377 7.525 6.261 510 1HB ALA 65 HB1 ALA 65 -13.679 7.381 6.694 511 2HB ALA 65 HB2 ALA 65 -13.856 5.895 5.761 512 3HB ALA 65 HB3 ALA 65 -13.657 7.438 4.931 513 H LEU 66 HN LEU 66 -10.938 4.432 4.929 514 HA LEU 66 HA LEU 66 -11.442 2.912 7.384 515 1HB LEU 66 HB2 LEU 66 -11.813 1.967 5.152 516 2HB LEU 66 HB1 LEU 66 -10.129 2.252 4.721 517 HG LEU 66 HG LEU 66 -9.604 0.786 6.825 518 1HD1 LEU 66 HD11 LEU 66 -12.069 -0.711 6.271 519 2HD1 LEU 66 HD12 LEU 66 -12.357 0.849 7.042 520 3HD1 LEU 66 HD13 LEU 66 -11.305 -0.337 7.816 521 1HD2 LEU 66 HD21 LEU 66 -8.924 -0.419 5.037 522 2HD2 LEU 66 HD22 LEU 66 -10.292 0.113 4.060 523 3HD2 LEU 66 HD23 LEU 66 -10.472 -1.255 5.159 524 H ILE 67 HN ILE 67 -8.446 2.796 5.462 525 HA ILE 67 HA ILE 67 -6.902 2.615 7.976 526 HB ILE 67 HB ILE 67 -5.100 1.945 6.391 527 1HG1 ILE 67 HG12 ILE 67 -7.132 2.187 4.177 528 2HG1 ILE 67 HG11 ILE 67 -6.056 3.528 4.573 529 1HG2 ILE 67 HG21 ILE 67 -6.055 -0.078 6.657 530 2HG2 ILE 67 HG22 ILE 67 -6.976 0.220 5.183 531 3HG2 ILE 67 HG23 ILE 67 -7.660 0.646 6.752 532 1HD1 ILE 67 HD11 ILE 67 -4.893 0.786 4.200 533 2HD1 ILE 67 HD12 ILE 67 -4.147 2.360 3.926 534 3HD1 ILE 67 HD13 ILE 67 -5.328 1.732 2.776 535 H LYS 68 HN LYS 68 -4.511 3.679 7.375 536 HA LYS 68 HA LYS 68 -3.356 5.743 7.484 537 1HB LYS 68 HB2 LYS 68 -5.291 6.153 5.180 538 2HB LYS 68 HB1 LYS 68 -3.830 7.101 5.445 539 1HG LYS 68 HG2 LYS 68 -3.808 4.089 5.163 540 2HG LYS 68 HG1 LYS 68 -3.570 5.186 3.802 541 1HD LYS 68 HD2 LYS 68 -1.427 5.552 4.399 542 2HD LYS 68 HD1 LYS 68 -1.906 5.971 6.042 543 1HE LYS 68 HE2 LYS 68 -2.189 3.372 6.337 544 2HE LYS 68 HE1 LYS 68 -1.116 3.288 4.927 545 1HZ LYS 68 HZ1 LYS 68 0.356 3.439 6.709 546 2HZ LYS 68 HZ2 LYS 68 -0.620 4.534 7.564 547 3HZ LYS 68 HZ3 LYS 68 0.238 5.052 6.193 548 H ILE 69 HN ILE 69 -4.401 8.350 6.776 549 HA ILE 69 HA ILE 69 -6.650 8.730 8.690 550 HB ILE 69 HB ILE 69 -5.418 10.415 9.907 551 1HG1 ILE 69 HG12 ILE 69 -4.180 11.300 7.890 552 2HG1 ILE 69 HG11 ILE 69 -3.212 11.169 9.352 553 1HG2 ILE 69 HG21 ILE 69 -5.012 8.126 10.629 554 2HG2 ILE 69 HG22 ILE 69 -3.530 9.067 10.803 555 3HG2 ILE 69 HG23 ILE 69 -3.714 7.953 9.447 556 1HD1 ILE 69 HD11 ILE 69 -1.726 9.993 8.132 557 2HD1 ILE 69 HD12 ILE 69 -2.851 9.845 6.783 558 3HD1 ILE 69 HD13 ILE 69 -2.900 8.681 8.103 559 H ASP 70 HN ASP 70 -4.641 10.096 6.091 560 HA ASP 70 HA ASP 70 -6.684 12.219 5.657 561 1HB ASP 70 HB1 ASP 70 -3.898 12.135 5.677 562 2HB ASP 70 HB2 ASP 70 -4.297 12.189 3.964 563 H VAL 71 HN VAL 71 -5.769 12.402 2.786 564 HA VAL 71 HA VAL 71 -7.464 10.160 1.775 565 HB VAL 71 HB VAL 71 -8.189 12.567 1.598 566 1HG1 VAL 71 HG21 VAL 71 -5.837 13.425 1.161 567 2HG1 VAL 71 HG22 VAL 71 -7.076 14.067 0.083 568 3HG1 VAL 71 HG23 VAL 71 -5.994 12.791 -0.476 569 1HG2 VAL 71 HG11 VAL 71 -7.851 10.717 -0.716 570 2HG2 VAL 71 HG12 VAL 71 -8.417 12.351 -1.062 571 3HG2 VAL 71 HG13 VAL 71 -9.330 11.317 0.036 572 H ASN 72 HN ASN 72 -4.509 12.019 0.923 573 HA ASN 72 HA ASN 72 -3.908 10.574 -1.474 574 1HB ASN 72 HB1 ASN 72 -2.612 12.423 0.445 575 2HB ASN 72 HB2 ASN 72 -1.491 11.406 -0.460 576 1HD2 ASN 72 HD22 ASN 72 -1.446 14.141 -1.007 577 2HD2 ASN 72 HD21 ASN 72 -2.141 14.444 -2.526 578 H LYS 73 HN LYS 73 -3.390 9.852 1.903 579 HA LYS 73 HA LYS 73 -1.339 7.853 1.597 580 1HB LYS 73 HB2 LYS 73 -3.482 8.390 3.687 581 2HB LYS 73 HB1 LYS 73 -2.117 7.300 3.927 582 1HG LYS 73 HG2 LYS 73 -1.043 9.149 4.710 583 2HG LYS 73 HG1 LYS 73 -0.867 9.571 3.007 584 1HD LYS 73 HD2 LYS 73 -3.491 10.331 3.992 585 2HD LYS 73 HD1 LYS 73 -2.220 11.053 4.978 586 1HE LYS 73 HE1 LYS 73 -1.550 11.222 2.147 587 2HE LYS 73 HE2 LYS 73 -3.109 11.991 2.483 588 1HZ LYS 73 HZ1 LYS 73 -0.696 12.391 4.172 589 2HZ LYS 73 HZ2 LYS 73 -2.146 13.274 4.213 590 3HZ LYS 73 HZ3 LYS 73 -1.097 13.426 2.886 591 H THR 74 HN THR 74 -4.847 7.478 2.288 592 HA THR 74 HA THR 74 -4.862 4.657 1.642 593 HB THR 74 HB THR 74 -7.042 6.776 1.790 594 HG1 THR 74 HG1 THR 74 -6.637 6.564 3.822 595 1HG2 THR 74 HG21 THR 74 -7.858 4.058 2.383 596 2HG2 THR 74 HG22 THR 74 -7.185 4.161 0.759 597 3HG2 THR 74 HG23 THR 74 -8.539 5.190 1.215 598 H ARG 75 HN ARG 75 -5.900 7.580 -0.135 599 HA ARG 75 HA ARG 75 -6.954 6.497 -2.445 600 1HB ARG 75 HB1 ARG 75 -6.750 8.901 -1.886 601 2HB ARG 75 HB2 ARG 75 -5.012 8.823 -2.174 602 1HG ARG 75 HG1 ARG 75 -5.517 8.067 -4.527 603 2HG ARG 75 HG2 ARG 75 -7.221 8.388 -4.205 604 1HD ARG 75 HD2 ARG 75 -5.513 10.639 -3.429 605 2HD ARG 75 HD1 ARG 75 -5.389 10.255 -5.156 606 HE ARG 75 HE ARG 75 -8.122 10.090 -4.533 607 1HH1 ARG 75 HH12 ARG 75 -5.613 12.500 -4.413 608 2HH1 ARG 75 HH11 ARG 75 -6.711 13.813 -4.662 609 1HH2 ARG 75 HH21 ARG 75 -9.527 11.813 -4.856 610 2HH2 ARG 75 HH22 ARG 75 -8.908 13.430 -4.912 611 H LYS 76 HN LYS 76 -3.462 6.708 -1.651 612 HA LYS 76 HA LYS 76 -2.723 5.729 -4.322 613 1HB LYS 76 HB2 LYS 76 -1.172 6.170 -1.747 614 2HB LYS 76 HB1 LYS 76 -0.440 5.811 -3.309 615 1HG LYS 76 HG1 LYS 76 -1.261 7.859 -4.260 616 2HG LYS 76 HG2 LYS 76 -2.286 8.168 -2.859 617 1HD LYS 76 HD2 LYS 76 -0.529 9.480 -2.209 618 2HD LYS 76 HD1 LYS 76 0.133 7.946 -1.644 619 1HE LYS 76 HE1 LYS 76 1.907 8.708 -2.961 620 2HE LYS 76 HE2 LYS 76 0.988 7.807 -4.181 621 1HZ LYS 76 HZ1 LYS 76 -0.310 9.963 -4.466 622 2HZ LYS 76 HZ2 LYS 76 1.264 9.931 -5.102 623 3HZ LYS 76 HZ3 LYS 76 0.959 10.718 -3.628 624 H ILE 77 HN ILE 77 -2.726 4.388 -1.002 625 HA ILE 77 HA ILE 77 -1.644 1.814 -1.752 626 HB ILE 77 HB ILE 77 -3.454 2.644 0.552 627 1HG1 ILE 77 HG12 ILE 77 -0.427 2.547 0.434 628 2HG1 ILE 77 HG11 ILE 77 -1.368 4.028 0.297 629 1HG2 ILE 77 HG21 ILE 77 -1.579 0.301 0.134 630 2HG2 ILE 77 HG22 ILE 77 -3.320 0.239 0.405 631 3HG2 ILE 77 HG23 ILE 77 -2.242 0.746 1.706 632 1HD1 ILE 77 HD11 ILE 77 -0.489 2.827 2.670 633 2HD1 ILE 77 HD12 ILE 77 -2.211 2.455 2.592 634 3HD1 ILE 77 HD13 ILE 77 -1.667 4.131 2.529 635 H TYR 78 HN TYR 78 -4.956 2.908 -1.043 636 HA TYR 78 HA TYR 78 -6.261 0.463 -1.723 637 1HB TYR 78 HB1 TYR 78 -6.861 3.097 -0.820 638 2HB TYR 78 HB2 TYR 78 -7.895 2.785 -2.209 639 HD1 TYR 78 HD1 TYR 78 -7.491 2.305 1.276 640 HD2 TYR 78 HD2 TYR 78 -9.011 0.371 -2.246 641 HE1 TYR 78 HE1 TYR 78 -8.894 0.831 2.691 642 HE2 TYR 78 HE2 TYR 78 -10.415 -1.104 -0.829 643 HH TYR 78 HH TYR 78 -11.149 -0.493 2.284 644 H ASP 79 HN ASP 79 -5.594 3.403 -3.700 645 HA ASP 79 HA ASP 79 -7.007 2.649 -6.033 646 1HB ASP 79 HB2 ASP 79 -5.950 4.821 -5.788 647 2HB ASP 79 HB1 ASP 79 -4.357 4.087 -5.622 648 H PHE 80 HN PHE 80 -3.723 1.731 -4.976 649 HA PHE 80 HA PHE 80 -2.965 0.224 -7.256 650 1HB PHE 80 HB2 PHE 80 -1.538 0.924 -5.320 651 2HB PHE 80 HB1 PHE 80 -2.357 -0.276 -4.319 652 HD1 PHE 80 HD1 PHE 80 -1.018 -2.146 -3.957 653 HD2 PHE 80 HD2 PHE 80 -1.002 -0.274 -7.823 654 HE1 PHE 80 HE1 PHE 80 0.516 -3.903 -4.802 655 HE2 PHE 80 HE2 PHE 80 0.531 -2.031 -8.667 656 HZ PHE 80 HZ PHE 80 1.288 -3.845 -7.158 657 H LEU 81 HN LEU 81 -4.285 -1.087 -4.170 658 HA LEU 81 HA LEU 81 -4.707 -3.734 -5.116 659 1HB LEU 81 HB1 LEU 81 -6.317 -2.139 -3.091 660 2HB LEU 81 HB2 LEU 81 -6.176 -3.893 -3.151 661 HG LEU 81 HG LEU 81 -3.574 -2.531 -3.089 662 1HD1 LEU 81 HD21 LEU 81 -4.821 -2.510 -0.419 663 2HD1 LEU 81 HD22 LEU 81 -5.471 -1.301 -1.525 664 3HD1 LEU 81 HD23 LEU 81 -3.745 -1.329 -1.166 665 1HD2 LEU 81 HD11 LEU 81 -3.650 -4.203 -0.965 666 2HD2 LEU 81 HD12 LEU 81 -3.348 -4.760 -2.610 667 3HD2 LEU 81 HD13 LEU 81 -4.967 -4.880 -1.921 668 H ILE 82 HN ILE 82 -6.905 -0.930 -5.124 669 HA ILE 82 HA ILE 82 -9.244 -2.205 -6.117 670 HB ILE 82 HB ILE 82 -8.084 0.586 -6.385 671 1HG1 ILE 82 HG11 ILE 82 -8.609 -0.366 -4.090 672 2HG1 ILE 82 HG12 ILE 82 -9.454 1.127 -4.490 673 1HG2 ILE 82 HG21 ILE 82 -9.789 0.126 -8.158 674 2HG2 ILE 82 HG22 ILE 82 -10.308 1.362 -7.012 675 3HG2 ILE 82 HG23 ILE 82 -10.949 -0.277 -6.892 676 1HD1 ILE 82 HD11 ILE 82 -11.445 0.115 -4.239 677 2HD1 ILE 82 HD12 ILE 82 -10.597 -1.328 -3.681 678 3HD1 ILE 82 HD13 ILE 82 -10.996 -1.145 -5.390 679 H ARG 83 HN ARG 83 -7.268 0.006 -8.066 680 HA ARG 83 HA ARG 83 -8.134 -0.788 -10.599 681 1HB ARG 83 HB2 ARG 83 -5.763 0.495 -9.353 682 2HB ARG 83 HB1 ARG 83 -5.552 -0.039 -10.995 683 1HG ARG 83 HG2 ARG 83 -6.433 2.017 -11.459 684 2HG ARG 83 HG1 ARG 83 -7.950 1.132 -11.263 685 1HD ARG 83 HD2 ARG 83 -7.007 1.832 -8.681 686 2HD ARG 83 HD1 ARG 83 -6.967 3.301 -9.678 687 HE ARG 83 HE ARG 83 -9.366 1.924 -8.823 688 1HH1 ARG 83 HH21 ARG 83 -7.920 3.594 -11.516 689 2HH1 ARG 83 HH22 ARG 83 -9.443 4.089 -12.168 690 1HH2 ARG 83 HH12 ARG 83 -11.330 2.581 -9.691 691 2HH2 ARG 83 HH11 ARG 83 -11.359 3.521 -11.145 692 H GLU 84 HN GLU 84 -5.803 -2.396 -8.490 693 HA GLU 84 HA GLU 84 -4.960 -4.250 -10.641 694 1HB GLU 84 HB1 GLU 84 -4.301 -3.992 -7.685 695 2HB GLU 84 HB2 GLU 84 -3.525 -5.135 -8.778 696 1HG GLU 84 HG2 GLU 84 -3.549 -2.139 -9.230 697 2HG GLU 84 HG1 GLU 84 -2.231 -2.996 -8.434 698 H GLY 85 HN GLY 85 -4.827 -6.672 -9.554 699 1HA GLY 85 HA1 GLY 85 -7.661 -7.392 -9.136 700 2HA GLY 85 HA2 GLY 85 -6.353 -8.516 -9.496 701 H TYR 86 HN TYR 86 -7.009 -6.135 -6.870 702 HA TYR 86 HA TYR 86 -6.290 -8.317 -4.937 703 1HB TYR 86 HB1 TYR 86 -5.947 -5.304 -4.912 704 2HB TYR 86 HB2 TYR 86 -5.703 -6.297 -3.474 705 HD1 TYR 86 HD1 TYR 86 -4.573 -5.773 -6.978 706 HD2 TYR 86 HD2 TYR 86 -3.711 -7.578 -3.181 707 HE1 TYR 86 HE1 TYR 86 -2.293 -6.341 -7.770 708 HE2 TYR 86 HE2 TYR 86 -1.430 -8.151 -3.973 709 HH TYR 86 HH TYR 86 -0.094 -6.841 -6.830 710 H ILE 87 HN ILE 87 -8.356 -5.429 -5.378 711 HA ILE 87 HA ILE 87 -10.478 -6.812 -3.801 712 HB ILE 87 HB ILE 87 -10.824 -4.622 -2.586 713 1HG1 ILE 87 HG11 ILE 87 -8.184 -3.937 -3.917 714 2HG1 ILE 87 HG12 ILE 87 -9.734 -3.162 -4.245 715 1HG2 ILE 87 HG21 ILE 87 -9.210 -6.654 -1.938 716 2HG2 ILE 87 HG22 ILE 87 -9.309 -5.201 -0.944 717 3HG2 ILE 87 HG23 ILE 87 -7.982 -5.397 -2.090 718 1HD1 ILE 87 HD11 ILE 87 -8.892 -1.681 -2.681 719 2HD1 ILE 87 HD12 ILE 87 -7.962 -2.927 -1.848 720 3HD1 ILE 87 HD13 ILE 87 -9.704 -2.813 -1.600 721 H THR 88 HN THR 88 -12.323 -4.682 -3.831 722 HA THR 88 HA THR 88 -12.544 -3.863 -6.688 723 HB THR 88 HB THR 88 -14.859 -4.837 -6.703 724 HG1 THR 88 HG1 THR 88 -15.187 -6.407 -4.954 725 1HG2 THR 88 HG21 THR 88 -14.145 -7.027 -7.176 726 2HG2 THR 88 HG22 THR 88 -12.934 -7.008 -5.894 727 3HG2 THR 88 HG23 THR 88 -12.667 -6.085 -7.373 728 H LYS 89 HN LYS 89 -14.079 -2.131 -7.006 729 HA LYS 89 HA LYS 89 -14.648 -0.591 -4.510 730 1HB LYS 89 HB2 LYS 89 -13.185 0.343 -6.327 731 2HB LYS 89 HB1 LYS 89 -14.554 0.241 -7.435 732 1HG LYS 89 HG1 LYS 89 -15.695 1.574 -5.354 733 2HG LYS 89 HG2 LYS 89 -14.036 2.157 -5.242 734 1HD LYS 89 HD2 LYS 89 -14.696 2.170 -7.994 735 2HD LYS 89 HD1 LYS 89 -16.075 2.875 -7.152 736 1HE LYS 89 HE1 LYS 89 -14.869 4.709 -6.450 737 2HE LYS 89 HE2 LYS 89 -13.372 3.775 -6.262 738 1HZ LYS 89 HZ1 LYS 89 -13.198 3.618 -8.659 739 2HZ LYS 89 HZ2 LYS 89 -13.292 5.252 -8.208 740 3HZ LYS 89 HZ3 LYS 89 -14.653 4.471 -8.858 741 H ALA 90 HN ALA 90 -16.738 -1.055 -3.847 742 HA ALA 90 HA ALA 90 -18.861 -1.746 -5.724 743 1HB ALA 90 HB1 ALA 90 -19.156 -2.745 -3.652 744 2HB ALA 90 HB2 ALA 90 -20.113 -1.289 -3.380 745 3HB ALA 90 HB3 ALA 90 -18.456 -1.379 -2.783 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 9.018 11.569 -0.658 2 2H GLY 1 HT2 GLY 1 10.040 10.218 -0.775 3 3H GLY 1 HT3 GLY 1 9.639 11.102 -2.169 4 1HA GLY 1 HA2 GLY 1 10.825 13.026 -1.340 5 2HA GLY 1 HA1 GLY 1 11.224 12.127 0.124 6 H SER 2 HN SER 2 11.906 12.490 -3.289 7 HA SER 2 HA SER 2 13.672 10.203 -3.533 8 1HB SER 2 HB2 SER 2 12.726 12.518 -5.075 9 2HB SER 2 HB1 SER 2 14.404 12.107 -5.431 10 HG SER 2 HG SER 2 13.252 10.818 -6.741 11 H ASN 3 HN ASN 3 14.671 10.987 -1.265 12 HA ASN 3 HA ASN 3 17.219 12.378 -1.957 13 1HB ASN 3 HB2 ASN 3 15.190 13.730 -0.813 14 2HB ASN 3 HB1 ASN 3 15.882 13.014 0.643 15 1HD2 ASN 3 HD21 ASN 3 18.652 13.021 -0.167 16 2HD2 ASN 3 HD22 ASN 3 19.163 14.635 -0.278 17 H SER 4 HN SER 4 18.332 10.365 -1.711 18 HA SER 4 HA SER 4 19.390 8.621 -0.517 19 1HB SER 4 HB2 SER 4 20.083 10.783 0.645 20 2HB SER 4 HB1 SER 4 18.814 10.464 1.828 21 HG SER 4 HG SER 4 21.041 8.825 1.210 22 H GLY 5 HN GLY 5 17.419 7.254 -0.894 23 1HA GLY 5 HA2 GLY 5 15.266 7.102 0.977 24 2HA GLY 5 HA1 GLY 5 15.746 5.804 -0.117 25 H ARG 6 HN ARG 6 14.941 5.631 2.733 26 HA ARG 6 HA ARG 6 17.423 4.953 4.179 27 1HB ARG 6 HB2 ARG 6 14.738 5.715 4.752 28 2HB ARG 6 HB1 ARG 6 14.973 4.115 5.454 29 1HG ARG 6 HG1 ARG 6 17.268 5.194 6.262 30 2HG ARG 6 HG2 ARG 6 16.352 6.692 6.094 31 1HD ARG 6 HD1 ARG 6 14.710 5.983 7.682 32 2HD ARG 6 HD2 ARG 6 15.285 4.305 7.632 33 HE ARG 6 HE ARG 6 17.062 4.930 9.071 34 1HH1 ARG 6 HH11 ARG 6 15.562 7.733 7.654 35 2HH1 ARG 6 HH12 ARG 6 16.469 8.843 8.621 36 1HH2 ARG 6 HH22 ARG 6 18.227 6.390 10.314 37 2HH2 ARG 6 HH21 ARG 6 17.967 8.091 10.117 38 H ARG 7 HN ARG 7 18.107 2.846 4.606 39 HA ARG 7 HA ARG 7 16.604 0.661 3.208 40 1HB ARG 7 HB1 ARG 7 19.511 1.247 3.794 41 2HB ARG 7 HB2 ARG 7 18.992 -0.387 3.380 42 1HG ARG 7 HG1 ARG 7 17.805 0.745 1.361 43 2HG ARG 7 HG2 ARG 7 18.865 2.113 1.701 44 1HD ARG 7 HD1 ARG 7 20.352 -0.394 1.735 45 2HD ARG 7 HD2 ARG 7 19.534 -0.145 0.181 46 HE ARG 7 HE ARG 7 20.667 2.339 1.001 47 1HH1 ARG 7 HH22 ARG 7 21.647 -0.834 -0.046 48 2HH1 ARG 7 HH21 ARG 7 23.126 -0.268 -0.740 49 1HH2 ARG 7 HH11 ARG 7 22.592 3.049 0.094 50 2HH2 ARG 7 HH12 ARG 7 23.660 1.914 -0.663 51 H SER 8 HN SER 8 15.710 -0.874 4.527 52 HA SER 8 HA SER 8 17.018 -1.920 6.878 53 1HB SER 8 HB2 SER 8 16.391 0.349 7.675 54 2HB SER 8 HB1 SER 8 14.709 0.024 7.259 55 HG SER 8 HG SER 8 16.226 -1.564 9.045 56 H ALA 9 HN ALA 9 15.014 -2.960 8.323 57 HA ALA 9 HA ALA 9 13.396 -4.675 8.322 58 1HB ALA 9 HB1 ALA 9 11.751 -4.090 6.203 59 2HB ALA 9 HB2 ALA 9 12.572 -2.545 6.437 60 3HB ALA 9 HB3 ALA 9 11.671 -3.276 7.766 61 HA PRO 10 HA PRO 10 14.331 -7.910 5.502 62 1HB PRO 10 HB1 PRO 10 11.837 -8.742 4.581 63 2HB PRO 10 HB2 PRO 10 12.531 -9.204 6.145 64 1HG PRO 10 HG1 PRO 10 10.575 -7.039 5.509 65 2HG PRO 10 HG2 PRO 10 10.578 -8.185 6.854 66 1HD PRO 10 HD1 PRO 10 11.370 -5.684 7.207 67 2HD PRO 10 HD2 PRO 10 12.210 -7.020 8.018 68 HA PRO 11 HA PRO 11 14.165 -5.360 1.763 69 1HB PRO 11 HB2 PRO 11 16.398 -7.050 0.853 70 2HB PRO 11 HB1 PRO 11 16.373 -5.304 1.150 71 1HG PRO 11 HG1 PRO 11 17.695 -7.059 2.729 72 2HG PRO 11 HG2 PRO 11 17.018 -5.537 3.323 73 1HD PRO 11 HD2 PRO 11 15.981 -8.317 3.623 74 2HD PRO 11 HD1 PRO 11 15.935 -6.959 4.769 75 H LEU 12 HN LEU 12 12.318 -6.147 0.703 76 HA LEU 12 HA LEU 12 12.543 -8.811 -0.661 77 1HB LEU 12 HB2 LEU 12 10.310 -7.122 0.442 78 2HB LEU 12 HB1 LEU 12 9.958 -8.280 -0.841 79 HG LEU 12 HG LEU 12 11.431 -9.858 0.768 80 1HD1 LEU 12 HD21 LEU 12 10.408 -7.586 2.412 81 2HD1 LEU 12 HD22 LEU 12 11.886 -8.529 2.597 82 3HD1 LEU 12 HD23 LEU 12 10.340 -9.204 3.111 83 1HD2 LEU 12 HD11 LEU 12 9.078 -10.346 1.893 84 2HD2 LEU 12 HD12 LEU 12 9.343 -10.684 0.183 85 3HD2 LEU 12 HD13 LEU 12 8.507 -9.210 0.671 86 H ASN 13 HN ASN 13 13.841 -7.702 -2.383 87 HA ASN 13 HA ASN 13 13.951 -6.866 -4.590 88 1HB ASN 13 HB1 ASN 13 11.444 -7.940 -4.329 89 2HB ASN 13 HB2 ASN 13 11.062 -6.274 -4.763 90 1HD2 ASN 13 HD21 ASN 13 10.287 -7.649 -6.800 91 2HD2 ASN 13 HD22 ASN 13 11.435 -7.820 -8.039 92 H LEU 14 HN LEU 14 11.413 -5.071 -2.837 93 HA LEU 14 HA LEU 14 11.535 -2.557 -3.891 94 1HB LEU 14 HB2 LEU 14 10.807 -3.818 -1.445 95 2HB LEU 14 HB1 LEU 14 11.686 -2.352 -1.017 96 HG LEU 14 HG LEU 14 10.193 -1.187 -2.788 97 1HD1 LEU 14 HD11 LEU 14 7.927 -2.834 -2.362 98 2HD1 LEU 14 HD12 LEU 14 9.223 -3.899 -2.906 99 3HD1 LEU 14 HD13 LEU 14 8.747 -2.514 -3.890 100 1HD2 LEU 14 HD21 LEU 14 9.295 -2.212 -0.098 101 2HD2 LEU 14 HD22 LEU 14 8.250 -1.164 -1.058 102 3HD2 LEU 14 HD23 LEU 14 9.834 -0.590 -0.536 103 H THR 15 HN THR 15 13.954 -3.913 -1.640 104 HA THR 15 HA THR 15 15.529 -1.657 -1.101 105 HB THR 15 HB THR 15 15.886 -3.888 -0.150 106 HG1 THR 15 HG1 THR 15 18.071 -3.847 -0.221 107 1HG2 THR 15 HG21 THR 15 15.361 -4.950 -2.504 108 2HG2 THR 15 HG22 THR 15 16.452 -5.779 -1.397 109 3HG2 THR 15 HG23 THR 15 17.105 -4.830 -2.730 110 H GLY 16 HN GLY 16 15.631 -0.237 -2.918 111 1HA GLY 16 HA2 GLY 16 17.237 0.515 -4.618 112 2HA GLY 16 HA1 GLY 16 17.403 -1.170 -5.123 113 H LEU 17 HN LEU 17 16.709 -0.761 -7.267 114 HA LEU 17 HA LEU 17 15.155 -0.488 -9.011 115 1HB LEU 17 HB1 LEU 17 13.185 -1.161 -6.804 116 2HB LEU 17 HB2 LEU 17 13.055 -1.541 -8.513 117 HG LEU 17 HG LEU 17 15.110 -2.689 -6.613 118 1HD1 LEU 17 HD21 LEU 17 13.016 -4.240 -8.112 119 2HD1 LEU 17 HD22 LEU 17 12.587 -3.434 -6.602 120 3HD1 LEU 17 HD23 LEU 17 13.855 -4.662 -6.619 121 1HD2 LEU 17 HD11 LEU 17 14.881 -2.589 -9.553 122 2HD2 LEU 17 HD12 LEU 17 15.139 -4.207 -8.899 123 3HD2 LEU 17 HD13 LEU 17 16.290 -2.919 -8.545 124 HA PRO 18 HA PRO 18 13.100 3.385 -8.475 125 1HB PRO 18 HB2 PRO 18 11.302 3.354 -10.505 126 2HB PRO 18 HB1 PRO 18 13.046 3.286 -10.819 127 1HG PRO 18 HG2 PRO 18 11.010 1.144 -10.965 128 2HG PRO 18 HG1 PRO 18 12.510 1.339 -11.880 129 1HD PRO 18 HD1 PRO 18 12.072 -0.316 -9.617 130 2HD PRO 18 HD2 PRO 18 13.618 0.002 -10.429 131 H GLY 19 HN GLY 19 11.392 4.326 -7.317 132 1HA GLY 19 HA2 GLY 19 9.025 4.481 -6.741 133 2HA GLY 19 HA1 GLY 19 8.880 2.750 -7.034 134 H THR 20 HN THR 20 11.032 1.775 -5.537 135 HA THR 20 HA THR 20 10.022 1.443 -2.965 136 HB THR 20 HB THR 20 12.929 1.616 -3.838 137 HG1 THR 20 HG1 THR 20 12.658 -0.361 -4.605 138 1HG2 THR 20 HG21 THR 20 13.506 0.690 -1.845 139 2HG2 THR 20 HG22 THR 20 12.099 -0.373 -1.829 140 3HG2 THR 20 HG23 THR 20 11.948 1.299 -1.288 141 H GLU 21 HN GLU 21 12.188 4.030 -4.097 142 HA GLU 21 HA GLU 21 12.556 5.225 -1.482 143 1HB GLU 21 HB1 GLU 21 14.137 5.544 -3.312 144 2HB GLU 21 HB2 GLU 21 12.869 6.203 -4.342 145 1HG GLU 21 HG2 GLU 21 13.344 8.258 -3.557 146 2HG GLU 21 HG1 GLU 21 12.842 7.729 -1.952 147 H LYS 22 HN LYS 22 10.282 5.728 -4.167 148 HA LYS 22 HA LYS 22 9.084 8.148 -3.217 149 1HB LYS 22 HB2 LYS 22 8.284 5.831 -4.979 150 2HB LYS 22 HB1 LYS 22 7.124 7.112 -4.626 151 1HG LYS 22 HG1 LYS 22 8.261 8.664 -5.869 152 2HG LYS 22 HG2 LYS 22 9.837 8.004 -5.436 153 1HD LYS 22 HD2 LYS 22 9.707 6.306 -7.072 154 2HD LYS 22 HD1 LYS 22 7.960 6.483 -7.242 155 1HE LYS 22 HE2 LYS 22 8.614 8.951 -7.992 156 2HE LYS 22 HE1 LYS 22 10.155 8.171 -8.394 157 1HZ LYS 22 HZ1 LYS 22 8.752 7.894 -10.271 158 2HZ LYS 22 HZ2 LYS 22 7.435 7.411 -9.315 159 3HZ LYS 22 HZ3 LYS 22 8.781 6.390 -9.484 160 H LEU 23 HN LEU 23 8.697 4.782 -2.304 161 HA LEU 23 HA LEU 23 6.198 5.161 -0.848 162 1HB LEU 23 HB2 LEU 23 8.334 2.999 -0.675 163 2HB LEU 23 HB1 LEU 23 6.660 2.851 -0.141 164 HG LEU 23 HG LEU 23 7.521 3.396 -2.998 165 1HD1 LEU 23 HD21 LEU 23 7.966 1.061 -1.894 166 2HD1 LEU 23 HD22 LEU 23 7.185 1.129 -3.474 167 3HD1 LEU 23 HD23 LEU 23 6.217 0.869 -2.022 168 1HD2 LEU 23 HD11 LEU 23 5.000 2.551 -3.203 169 2HD2 LEU 23 HD12 LEU 23 5.383 4.251 -2.926 170 3HD2 LEU 23 HD13 LEU 23 4.903 3.222 -1.575 171 H ASN 24 HN ASN 24 6.129 6.301 1.044 172 HA ASN 24 HA ASN 24 8.239 7.341 2.536 173 1HB ASN 24 HB1 ASN 24 5.623 7.558 2.651 174 2HB ASN 24 HB2 ASN 24 5.740 6.266 3.845 175 1HD2 ASN 24 HD22 ASN 24 4.856 8.215 5.232 176 2HD2 ASN 24 HD21 ASN 24 6.029 9.197 5.968 177 H GLU 25 HN GLU 25 9.267 6.643 4.543 178 HA GLU 25 HA GLU 25 10.334 4.053 4.609 179 1HB GLU 25 HB1 GLU 25 9.990 6.357 6.438 180 2HB GLU 25 HB2 GLU 25 10.294 4.821 7.250 181 1HG GLU 25 HG2 GLU 25 12.483 5.160 6.799 182 2HG GLU 25 HG1 GLU 25 12.087 4.813 5.115 183 H LYS 26 HN LYS 26 7.368 5.255 6.177 184 HA LYS 26 HA LYS 26 6.724 2.909 7.678 185 1HB LYS 26 HB2 LYS 26 4.996 5.008 6.309 186 2HB LYS 26 HB1 LYS 26 4.419 3.892 7.546 187 1HG LYS 26 HG2 LYS 26 5.101 5.367 9.106 188 2HG LYS 26 HG1 LYS 26 6.762 5.056 8.601 189 1HD LYS 26 HD2 LYS 26 6.735 6.872 7.053 190 2HD LYS 26 HD1 LYS 26 4.982 7.031 7.160 191 1HE LYS 26 HE1 LYS 26 5.335 8.603 8.764 192 2HE LYS 26 HE2 LYS 26 5.913 7.294 9.812 193 1HZ LYS 26 HZ1 LYS 26 7.563 9.131 9.353 194 2HZ LYS 26 HZ2 LYS 26 7.614 8.581 7.747 195 3HZ LYS 26 HZ3 LYS 26 8.107 7.558 9.010 196 H GLU 27 HN GLU 27 5.301 3.956 4.552 197 HA GLU 27 HA GLU 27 4.089 1.464 3.904 198 1HB GLU 27 HB2 GLU 27 5.270 3.586 2.072 199 2HB GLU 27 HB1 GLU 27 4.004 2.434 1.648 200 1HG GLU 27 HG2 GLU 27 2.782 3.474 3.745 201 2HG GLU 27 HG1 GLU 27 3.859 4.837 3.439 202 H LYS 28 HN LYS 28 7.386 2.649 3.510 203 HA LYS 28 HA LYS 28 8.491 0.861 1.652 204 1HB LYS 28 HB2 LYS 28 9.318 2.645 3.723 205 2HB LYS 28 HB1 LYS 28 10.212 1.142 3.943 206 1HG LYS 28 HG1 LYS 28 10.538 1.325 1.324 207 2HG LYS 28 HG2 LYS 28 10.229 3.038 1.616 208 1HD LYS 28 HD2 LYS 28 12.226 3.337 2.660 209 2HD LYS 28 HD1 LYS 28 12.103 1.806 3.529 210 1HE LYS 28 HE1 LYS 28 12.410 1.155 0.781 211 2HE LYS 28 HE2 LYS 28 13.630 2.384 1.162 212 1HZ LYS 28 HZ1 LYS 28 13.064 -0.060 2.766 213 2HZ LYS 28 HZ2 LYS 28 14.227 1.119 3.140 214 3HZ LYS 28 HZ3 LYS 28 14.409 0.156 1.753 215 H GLU 29 HN GLU 29 7.928 0.344 5.142 216 HA GLU 29 HA GLU 29 8.860 -2.413 5.130 217 1HB GLU 29 HB2 GLU 29 7.712 -0.407 6.950 218 2HB GLU 29 HB1 GLU 29 7.141 -2.040 7.292 219 1HG GLU 29 HG1 GLU 29 9.542 -2.804 7.261 220 2HG GLU 29 HG2 GLU 29 10.023 -1.112 7.128 221 H LEU 30 HN LEU 30 5.754 -0.758 4.739 222 HA LEU 30 HA LEU 30 3.945 -2.907 4.954 223 1HB LEU 30 HB1 LEU 30 3.617 -0.370 4.514 224 2HB LEU 30 HB2 LEU 30 3.841 -0.768 2.811 225 HG LEU 30 HG LEU 30 2.030 -2.636 3.367 226 1HD1 LEU 30 HD11 LEU 30 0.679 -0.663 5.026 227 2HD1 LEU 30 HD12 LEU 30 2.152 -1.250 5.799 228 3HD1 LEU 30 HD13 LEU 30 0.901 -2.391 5.304 229 1HD2 LEU 30 HD21 LEU 30 0.683 -1.358 2.061 230 2HD2 LEU 30 HD22 LEU 30 2.037 -0.229 2.034 231 3HD2 LEU 30 HD23 LEU 30 0.723 -0.003 3.189 232 H CYS 31 HN CYS 31 5.953 -1.923 2.176 233 HA CYS 31 HA CYS 31 4.894 -3.995 0.414 234 1HB CYS 31 HB1 CYS 31 6.638 -1.693 0.354 235 2HB CYS 31 HB2 CYS 31 7.452 -3.053 -0.418 236 HG CYS 31 HG CYS 31 5.187 -3.301 -1.899 237 H GLN 32 HN GLN 32 7.881 -3.572 2.332 238 HA GLN 32 HA GLN 32 9.245 -5.921 1.543 239 1HB GLN 32 HB1 GLN 32 9.077 -4.364 4.142 240 2HB GLN 32 HB2 GLN 32 10.252 -5.655 3.881 241 1HG GLN 32 HG2 GLN 32 11.147 -4.462 1.923 242 2HG GLN 32 HG1 GLN 32 9.951 -3.186 2.141 243 1HE2 GLN 32 HE21 GLN 32 13.089 -4.252 3.083 244 2HE2 GLN 32 HE22 GLN 32 13.352 -3.110 4.311 245 H VAL 33 HN VAL 33 6.539 -5.493 3.766 246 HA VAL 33 HA VAL 33 6.663 -8.189 4.884 247 HB VAL 33 HB VAL 33 4.461 -6.093 4.708 248 1HG1 VAL 33 HG11 VAL 33 4.640 -8.787 5.951 249 2HG1 VAL 33 HG12 VAL 33 3.226 -7.907 5.370 250 3HG1 VAL 33 HG13 VAL 33 3.921 -7.518 6.943 251 1HG2 VAL 33 HG21 VAL 33 5.471 -5.030 6.426 252 2HG2 VAL 33 HG22 VAL 33 6.889 -6.024 6.088 253 3HG2 VAL 33 HG23 VAL 33 5.717 -6.542 7.300 254 H VAL 34 HN VAL 34 4.207 -6.615 2.820 255 HA VAL 34 HA VAL 34 3.497 -9.216 1.605 256 HB VAL 34 HB VAL 34 1.871 -7.735 0.348 257 1HG1 VAL 34 HG21 VAL 34 1.023 -6.796 2.824 258 2HG1 VAL 34 HG22 VAL 34 2.012 -8.201 3.224 259 3HG1 VAL 34 HG23 VAL 34 0.642 -8.371 2.125 260 1HG2 VAL 34 HG11 VAL 34 3.679 -5.725 1.144 261 2HG2 VAL 34 HG12 VAL 34 2.198 -5.423 2.053 262 3HG2 VAL 34 HG13 VAL 34 2.151 -5.504 0.292 263 H ARG 35 HN ARG 35 5.724 -9.484 0.739 264 HA ARG 35 HA ARG 35 7.369 -8.095 -0.849 265 1HB ARG 35 HB1 ARG 35 7.294 -10.583 -0.375 266 2HB ARG 35 HB2 ARG 35 6.175 -10.744 -1.728 267 1HG ARG 35 HG1 ARG 35 7.854 -9.810 -3.255 268 2HG ARG 35 HG2 ARG 35 8.970 -9.577 -1.909 269 1HD ARG 35 HD1 ARG 35 8.839 -12.075 -1.484 270 2HD ARG 35 HD2 ARG 35 7.939 -12.215 -3.006 271 HE ARG 35 HE ARG 35 10.343 -10.640 -3.353 272 1HH1 ARG 35 HH12 ARG 35 9.152 -13.896 -3.035 273 2HH1 ARG 35 HH11 ARG 35 10.468 -14.581 -3.924 274 1HH2 ARG 35 HH22 ARG 35 12.041 -11.553 -4.503 275 2HH2 ARG 35 HH21 ARG 35 12.092 -13.267 -4.749 276 H LEU 36 HN LEU 36 6.396 -6.326 -1.978 277 HA LEU 36 HA LEU 36 5.056 -7.108 -4.539 278 1HB LEU 36 HB2 LEU 36 3.964 -5.727 -2.247 279 2HB LEU 36 HB1 LEU 36 3.969 -4.646 -3.636 280 HG LEU 36 HG LEU 36 3.124 -7.273 -4.471 281 1HD1 LEU 36 HD11 LEU 36 1.226 -7.653 -3.115 282 2HD1 LEU 36 HD12 LEU 36 1.317 -6.046 -2.394 283 3HD1 LEU 36 HD13 LEU 36 2.508 -7.274 -1.966 284 1HD2 LEU 36 HD21 LEU 36 2.469 -4.508 -4.842 285 2HD2 LEU 36 HD22 LEU 36 0.987 -5.378 -4.449 286 3HD2 LEU 36 HD23 LEU 36 1.972 -5.887 -5.821 287 H VAL 37 HN VAL 37 6.079 -6.118 -6.245 288 HA VAL 37 HA VAL 37 8.252 -4.320 -6.050 289 HB VAL 37 HB VAL 37 7.492 -3.737 -8.473 290 1HG1 VAL 37 HG21 VAL 37 9.188 -5.423 -8.008 291 2HG1 VAL 37 HG22 VAL 37 8.100 -6.034 -9.255 292 3HG1 VAL 37 HG23 VAL 37 7.944 -6.602 -7.593 293 1HG2 VAL 37 HG11 VAL 37 5.619 -4.682 -9.367 294 2HG2 VAL 37 HG12 VAL 37 5.068 -4.593 -7.694 295 3HG2 VAL 37 HG13 VAL 37 5.711 -6.106 -8.330 296 HA PRO 38 HA PRO 38 6.499 -0.489 -4.899 297 1HB PRO 38 HB2 PRO 38 8.120 0.967 -6.880 298 2HB PRO 38 HB1 PRO 38 8.232 0.994 -5.114 299 1HG PRO 38 HG2 PRO 38 10.077 -0.176 -6.734 300 2HG PRO 38 HG1 PRO 38 9.770 -0.674 -5.064 301 1HD PRO 38 HD1 PRO 38 8.975 -1.982 -7.607 302 2HD PRO 38 HD2 PRO 38 9.352 -2.703 -6.027 303 H GLY 39 HN GLY 39 7.118 -0.382 -8.442 304 1HA GLY 39 HA1 GLY 39 5.122 1.423 -9.166 305 2HA GLY 39 HA2 GLY 39 5.637 0.101 -10.208 306 H ALA 40 HN ALA 40 4.707 -2.146 -9.098 307 HA ALA 40 HA ALA 40 1.943 -2.221 -9.651 308 1HB ALA 40 HB1 ALA 40 3.805 -4.039 -9.283 309 2HB ALA 40 HB2 ALA 40 2.128 -4.443 -8.917 310 3HB ALA 40 HB3 ALA 40 3.237 -4.017 -7.614 311 H TYR 41 HN TYR 41 3.482 -2.257 -6.405 312 HA TYR 41 HA TYR 41 1.163 -2.039 -4.824 313 1HB TYR 41 HB1 TYR 41 3.347 -2.440 -3.876 314 2HB TYR 41 HB2 TYR 41 3.981 -0.951 -4.558 315 HD1 TYR 41 HD1 TYR 41 3.082 1.272 -3.721 316 HD2 TYR 41 HD2 TYR 41 2.263 -2.457 -1.755 317 HE1 TYR 41 HE1 TYR 41 2.429 2.500 -1.669 318 HE2 TYR 41 HE2 TYR 41 1.610 -1.229 0.299 319 HH TYR 41 HH TYR 41 2.389 1.471 1.151 320 H LEU 42 HN LEU 42 3.139 0.597 -6.224 321 HA LEU 42 HA LEU 42 1.691 2.823 -5.270 322 1HB LEU 42 HB1 LEU 42 3.338 2.133 -7.687 323 2HB LEU 42 HB2 LEU 42 2.509 3.690 -7.653 324 HG LEU 42 HG LEU 42 3.789 3.171 -5.106 325 1HD1 LEU 42 HD21 LEU 42 5.731 2.235 -5.764 326 2HD1 LEU 42 HD22 LEU 42 6.058 3.704 -6.683 327 3HD1 LEU 42 HD23 LEU 42 5.260 2.338 -7.460 328 1HD2 LEU 42 HD11 LEU 42 4.845 5.369 -5.663 329 2HD2 LEU 42 HD12 LEU 42 3.093 5.376 -5.868 330 3HD2 LEU 42 HD13 LEU 42 4.145 5.255 -7.279 331 H GLU 43 HN GLU 43 0.952 0.577 -7.889 332 HA GLU 43 HA GLU 43 -1.146 2.136 -9.110 333 1HB GLU 43 HB1 GLU 43 0.267 -0.260 -9.523 334 2HB GLU 43 HB2 GLU 43 -1.412 -0.760 -9.328 335 1HG GLU 43 HG1 GLU 43 -1.756 1.387 -10.943 336 2HG GLU 43 HG2 GLU 43 -0.157 0.866 -11.473 337 H TYR 44 HN TYR 44 -1.455 -0.887 -7.179 338 HA TYR 44 HA TYR 44 -4.214 -0.826 -6.769 339 1HB TYR 44 HB2 TYR 44 -2.050 -1.645 -4.786 340 2HB TYR 44 HB1 TYR 44 -3.714 -2.215 -4.798 341 HD1 TYR 44 HD1 TYR 44 -4.397 -2.790 -7.479 342 HD2 TYR 44 HD2 TYR 44 -0.594 -3.309 -5.552 343 HE1 TYR 44 HE1 TYR 44 -3.807 -4.545 -9.123 344 HE2 TYR 44 HE2 TYR 44 -0.002 -5.067 -7.199 345 HH TYR 44 HH TYR 44 -0.893 -6.481 -8.778 346 H LYS 45 HN LYS 45 -1.722 0.821 -4.797 347 HA LYS 45 HA LYS 45 -3.384 1.923 -2.796 348 1HB LYS 45 HB2 LYS 45 -0.761 1.996 -3.460 349 2HB LYS 45 HB1 LYS 45 -1.233 3.603 -4.011 350 1HG LYS 45 HG1 LYS 45 -2.464 3.235 -1.488 351 2HG LYS 45 HG2 LYS 45 -0.802 2.674 -1.314 352 1HD LYS 45 HD2 LYS 45 0.034 4.787 -2.234 353 2HD LYS 45 HD1 LYS 45 -1.618 5.347 -2.495 354 1HE LYS 45 HE2 LYS 45 -1.868 5.934 -0.306 355 2HE LYS 45 HE1 LYS 45 -1.094 4.445 0.267 356 1HZ LYS 45 HZ1 LYS 45 0.227 6.881 -0.809 357 2HZ LYS 45 HZ2 LYS 45 1.042 5.409 -0.576 358 3HZ LYS 45 HZ3 LYS 45 0.380 6.234 0.754 359 H SER 46 HN SER 46 -2.505 3.318 -5.982 360 HA SER 46 HA SER 46 -4.111 5.677 -5.768 361 1HB SER 46 HB1 SER 46 -2.600 4.143 -7.762 362 2HB SER 46 HB2 SER 46 -4.006 4.944 -8.463 363 HG SER 46 HG SER 46 -1.716 6.017 -7.333 364 H ALA 47 HN ALA 47 -4.884 2.349 -6.556 365 HA ALA 47 HA ALA 47 -7.448 2.841 -7.800 366 1HB ALA 47 HB1 ALA 47 -7.240 0.314 -6.401 367 2HB ALA 47 HB2 ALA 47 -5.703 0.690 -7.179 368 3HB ALA 47 HB3 ALA 47 -7.181 0.615 -8.138 369 H LEU 48 HN LEU 48 -6.341 2.520 -4.467 370 HA LEU 48 HA LEU 48 -8.990 2.165 -3.314 371 1HB LEU 48 HB2 LEU 48 -6.510 3.296 -1.978 372 2HB LEU 48 HB1 LEU 48 -7.812 2.382 -1.227 373 HG LEU 48 HG LEU 48 -5.642 1.367 -3.068 374 1HD1 LEU 48 HD21 LEU 48 -5.954 -0.365 -0.955 375 2HD1 LEU 48 HD22 LEU 48 -6.334 1.191 -0.218 376 3HD1 LEU 48 HD23 LEU 48 -4.780 0.949 -1.016 377 1HD2 LEU 48 HD11 LEU 48 -8.391 0.362 -2.708 378 2HD2 LEU 48 HD12 LEU 48 -7.135 -0.849 -2.441 379 3HD2 LEU 48 HD13 LEU 48 -7.222 0.010 -3.979 380 H LEU 49 HN LEU 49 -6.738 4.938 -3.560 381 HA LEU 49 HA LEU 49 -8.451 6.883 -2.370 382 1HB LEU 49 HB2 LEU 49 -5.940 6.697 -3.735 383 2HB LEU 49 HB1 LEU 49 -6.853 8.010 -4.476 384 HG LEU 49 HG LEU 49 -5.531 8.846 -2.574 385 1HD1 LEU 49 HD21 LEU 49 -8.280 8.861 -1.439 386 2HD1 LEU 49 HD22 LEU 49 -8.117 9.426 -3.102 387 3HD1 LEU 49 HD23 LEU 49 -7.208 10.212 -1.811 388 1HD2 LEU 49 HD11 LEU 49 -6.752 6.473 -1.289 389 2HD2 LEU 49 HD12 LEU 49 -6.697 7.924 -0.287 390 3HD2 LEU 49 HD13 LEU 49 -5.208 7.261 -0.962 391 H ASN 50 HN ASN 50 -8.318 5.572 -5.648 392 HA ASN 50 HA ASN 50 -10.153 7.581 -6.745 393 1HB ASN 50 HB2 ASN 50 -8.222 6.072 -7.799 394 2HB ASN 50 HB1 ASN 50 -9.548 4.932 -8.025 395 1HD2 ASN 50 HD21 ASN 50 -7.972 6.773 -9.982 396 2HD2 ASN 50 HD22 ASN 50 -9.197 7.561 -10.853 397 H GLU 51 HN GLU 51 -10.397 4.008 -6.439 398 HA GLU 51 HA GLU 51 -13.172 3.814 -6.934 399 1HB GLU 51 HB1 GLU 51 -11.434 1.985 -6.816 400 2HB GLU 51 HB2 GLU 51 -11.479 2.121 -5.059 401 1HG GLU 51 HG1 GLU 51 -12.949 0.295 -5.901 402 2HG GLU 51 HG2 GLU 51 -13.852 1.536 -5.040 403 H CYS 52 HN CYS 52 -11.473 4.803 -4.028 404 HA CYS 52 HA CYS 52 -13.809 4.496 -2.276 405 1HB CYS 52 HB1 CYS 52 -11.412 4.287 -1.565 406 2HB CYS 52 HB2 CYS 52 -11.188 5.999 -1.927 407 HG CYS 52 HG CYS 52 -13.425 6.042 -0.091 408 H HIS 53 HN HIS 53 -12.106 7.181 -3.901 409 HA HIS 53 HA HIS 53 -13.675 9.311 -2.814 410 1HB HIS 53 HB1 HIS 53 -11.490 9.485 -4.014 411 2HB HIS 53 HB2 HIS 53 -12.307 9.044 -5.512 412 HD1 HIS 53 HD1 HIS 53 -13.029 10.999 -6.869 413 HD2 HIS 53 HD2 HIS 53 -12.890 11.932 -2.808 414 HE1 HIS 53 HE1 HIS 53 -13.653 13.446 -6.674 415 H LYS 54 HN LYS 54 -14.249 7.058 -5.455 416 HA LYS 54 HA LYS 54 -16.395 8.527 -6.714 417 1HB LYS 54 HB2 LYS 54 -14.838 6.298 -7.206 418 2HB LYS 54 HB1 LYS 54 -16.410 5.584 -6.864 419 1HG LYS 54 HG2 LYS 54 -16.241 6.049 -9.257 420 2HG LYS 54 HG1 LYS 54 -17.444 7.115 -8.535 421 1HD LYS 54 HD1 LYS 54 -15.910 8.302 -10.116 422 2HD LYS 54 HD2 LYS 54 -15.844 8.958 -8.484 423 1HE LYS 54 HE1 LYS 54 -13.635 8.469 -8.328 424 2HE LYS 54 HE2 LYS 54 -13.930 6.789 -8.807 425 1HZ LYS 54 HZ1 LYS 54 -12.591 8.208 -10.415 426 2HZ LYS 54 HZ2 LYS 54 -14.042 9.026 -10.747 427 3HZ LYS 54 HZ3 LYS 54 -13.911 7.364 -11.069 428 H GLN 55 HN GLN 55 -16.483 5.575 -4.676 429 HA GLN 55 HA GLN 55 -19.359 5.846 -4.230 430 1HB GLN 55 HB1 GLN 55 -17.229 4.079 -2.967 431 2HB GLN 55 HB2 GLN 55 -18.970 3.808 -2.879 432 1HG GLN 55 HG2 GLN 55 -17.449 3.986 -5.493 433 2HG GLN 55 HG1 GLN 55 -17.771 2.462 -4.665 434 1HE2 GLN 55 HE21 GLN 55 -18.989 2.257 -6.943 435 2HE2 GLN 55 HE22 GLN 55 -20.623 2.716 -6.925 436 H GLY 56 HN GLY 56 -16.444 6.854 -2.588 437 1HA GLY 56 HA2 GLY 56 -16.593 8.644 -0.914 438 2HA GLY 56 HA1 GLY 56 -18.144 7.976 -0.407 439 H GLY 57 HN GLY 57 -18.083 5.832 0.675 440 1HA GLY 57 HA2 GLY 57 -15.586 5.556 2.280 441 2HA GLY 57 HA1 GLY 57 -17.177 4.978 2.776 442 H LEU 58 HN LEU 58 -14.593 3.485 2.495 443 HA LEU 58 HA LEU 58 -15.633 1.345 0.675 444 1HB LEU 58 HB1 LEU 58 -13.328 3.056 0.372 445 2HB LEU 58 HB2 LEU 58 -12.790 1.387 0.563 446 HG LEU 58 HG LEU 58 -14.887 2.339 -1.414 447 1HD1 LEU 58 HD21 LEU 58 -12.566 1.113 -2.588 448 2HD1 LEU 58 HD22 LEU 58 -12.051 2.427 -1.530 449 3HD1 LEU 58 HD23 LEU 58 -13.192 2.742 -2.836 450 1HD2 LEU 58 HD11 LEU 58 -14.447 -0.036 -2.316 451 2HD2 LEU 58 HD12 LEU 58 -15.409 0.095 -0.843 452 3HD2 LEU 58 HD13 LEU 58 -13.708 -0.362 -0.748 453 H ARG 59 HN ARG 59 -16.220 0.039 2.474 454 HA ARG 59 HA ARG 59 -14.884 -0.444 4.862 455 1HB ARG 59 HB1 ARG 59 -17.091 -1.356 3.973 456 2HB ARG 59 HB2 ARG 59 -16.153 -2.567 3.100 457 1HG ARG 59 HG2 ARG 59 -15.078 -3.127 5.368 458 2HG ARG 59 HG1 ARG 59 -16.381 -2.182 6.089 459 1HD ARG 59 HD2 ARG 59 -17.274 -4.153 4.067 460 2HD ARG 59 HD1 ARG 59 -16.586 -4.854 5.544 461 HE ARG 59 HE ARG 59 -18.277 -2.730 6.345 462 1HH1 ARG 59 HH22 ARG 59 -18.521 -5.808 4.738 463 2HH1 ARG 59 HH21 ARG 59 -20.135 -6.092 5.290 464 1HH2 ARG 59 HH12 ARG 59 -20.372 -3.121 7.049 465 2HH2 ARG 59 HH11 ARG 59 -21.178 -4.584 6.588 466 H LEU 60 HN LEU 60 -13.397 -2.164 5.527 467 HA LEU 60 HA LEU 60 -11.136 -2.458 3.739 468 1HB LEU 60 HB1 LEU 60 -11.068 -2.216 6.233 469 2HB LEU 60 HB2 LEU 60 -11.802 -3.812 6.379 470 HG LEU 60 HG LEU 60 -9.888 -4.850 5.306 471 1HD1 LEU 60 HD11 LEU 60 -8.803 -3.616 3.748 472 2HD1 LEU 60 HD12 LEU 60 -7.931 -2.889 5.100 473 3HD1 LEU 60 HD13 LEU 60 -9.369 -2.098 4.455 474 1HD2 LEU 60 HD21 LEU 60 -9.551 -4.603 7.647 475 2HD2 LEU 60 HD22 LEU 60 -9.233 -2.875 7.496 476 3HD2 LEU 60 HD23 LEU 60 -8.050 -4.044 6.910 477 H ALA 61 HN ALA 61 -14.004 -4.333 4.282 478 HA ALA 61 HA ALA 61 -12.921 -6.918 3.474 479 1HB ALA 61 HB1 ALA 61 -15.712 -5.709 3.555 480 2HB ALA 61 HB2 ALA 61 -14.965 -6.709 4.800 481 3HB ALA 61 HB3 ALA 61 -15.389 -7.414 3.240 482 H GLN 62 HN GLN 62 -15.126 -4.628 1.807 483 HA GLN 62 HA GLN 62 -14.973 -5.719 -0.798 484 1HB GLN 62 HB2 GLN 62 -15.228 -2.885 0.269 485 2HB GLN 62 HB1 GLN 62 -15.483 -3.295 -1.426 486 1HG GLN 62 HG2 GLN 62 -16.940 -5.018 0.475 487 2HG GLN 62 HG1 GLN 62 -17.447 -3.329 0.493 488 1HE2 GLN 62 HE21 GLN 62 -18.789 -5.839 -0.673 489 2HE2 GLN 62 HE22 GLN 62 -19.123 -5.422 -2.284 490 H ALA 63 HN ALA 63 -12.701 -3.793 1.034 491 HA ALA 63 HA ALA 63 -10.983 -2.916 -1.077 492 1HB ALA 63 HB1 ALA 63 -10.941 -3.308 1.870 493 2HB ALA 63 HB2 ALA 63 -10.524 -1.880 0.930 494 3HB ALA 63 HB3 ALA 63 -9.366 -3.201 1.086 495 H ARG 64 HN ARG 64 -10.836 -5.797 1.041 496 HA ARG 64 HA ARG 64 -8.497 -6.986 -0.025 497 1HB ARG 64 HB2 ARG 64 -10.969 -7.811 1.414 498 2HB ARG 64 HB1 ARG 64 -10.096 -9.111 0.604 499 1HG ARG 64 HG1 ARG 64 -9.366 -8.747 2.975 500 2HG ARG 64 HG2 ARG 64 -8.062 -8.575 1.806 501 1HD ARG 64 HD1 ARG 64 -7.768 -6.372 2.285 502 2HD ARG 64 HD2 ARG 64 -9.509 -6.061 2.385 503 HE ARG 64 HE ARG 64 -7.787 -6.714 4.615 504 1HH1 ARG 64 HH12 ARG 64 -10.949 -7.337 3.296 505 2HH1 ARG 64 HH11 ARG 64 -11.641 -7.683 4.841 506 1HH2 ARG 64 HH22 ARG 64 -8.714 -7.165 6.605 507 2HH2 ARG 64 HH21 ARG 64 -10.391 -7.586 6.699 508 H ALA 65 HN ALA 65 -11.854 -7.047 -1.166 509 HA ALA 65 HA ALA 65 -11.158 -8.815 -3.437 510 1HB ALA 65 HB1 ALA 65 -13.468 -7.975 -1.928 511 2HB ALA 65 HB2 ALA 65 -13.342 -9.301 -3.084 512 3HB ALA 65 HB3 ALA 65 -13.760 -7.681 -3.642 513 H LEU 66 HN LEU 66 -10.659 -5.585 -2.883 514 HA LEU 66 HA LEU 66 -11.636 -4.596 -5.487 515 1HB LEU 66 HB1 LEU 66 -11.256 -3.549 -2.945 516 2HB LEU 66 HB2 LEU 66 -9.894 -2.881 -3.840 517 HG LEU 66 HG LEU 66 -11.873 -1.404 -3.967 518 1HD1 LEU 66 HD21 LEU 66 -11.761 -2.461 -6.727 519 2HD1 LEU 66 HD22 LEU 66 -10.194 -2.119 -5.992 520 3HD1 LEU 66 HD23 LEU 66 -11.404 -0.842 -6.124 521 1HD2 LEU 66 HD11 LEU 66 -13.947 -2.109 -4.661 522 2HD2 LEU 66 HD12 LEU 66 -13.367 -3.636 -3.993 523 3HD2 LEU 66 HD13 LEU 66 -13.284 -3.345 -5.731 524 H ILE 67 HN ILE 67 -8.456 -4.104 -3.926 525 HA ILE 67 HA ILE 67 -7.207 -4.199 -6.622 526 HB ILE 67 HB ILE 67 -5.214 -3.324 -5.295 527 1HG1 ILE 67 HG12 ILE 67 -7.220 -2.914 -3.085 528 2HG1 ILE 67 HG11 ILE 67 -6.134 -4.298 -3.109 529 1HG2 ILE 67 HG21 ILE 67 -7.676 -1.637 -4.890 530 2HG2 ILE 67 HG22 ILE 67 -7.015 -1.943 -6.496 531 3HG2 ILE 67 HG23 ILE 67 -6.037 -1.114 -5.284 532 1HD1 ILE 67 HD11 ILE 67 -5.403 -2.114 -1.852 533 2HD1 ILE 67 HD12 ILE 67 -5.035 -1.523 -3.472 534 3HD1 ILE 67 HD13 ILE 67 -4.227 -2.964 -2.855 535 H LYS 68 HN LYS 68 -4.729 -4.961 -6.182 536 HA LYS 68 HA LYS 68 -3.436 -6.928 -6.252 537 1HB LYS 68 HB2 LYS 68 -4.467 -6.306 -3.552 538 2HB LYS 68 HB1 LYS 68 -3.627 -7.848 -3.730 539 1HG LYS 68 HG1 LYS 68 -2.349 -5.577 -5.121 540 2HG LYS 68 HG2 LYS 68 -2.361 -5.448 -3.373 541 1HD LYS 68 HD1 LYS 68 -0.516 -6.778 -3.447 542 2HD LYS 68 HD2 LYS 68 -1.652 -8.089 -3.769 543 1HE LYS 68 HE2 LYS 68 -1.451 -7.551 -6.235 544 2HE LYS 68 HE1 LYS 68 -0.138 -6.435 -5.816 545 1HZ LYS 68 HZ1 LYS 68 1.167 -8.145 -4.995 546 2HZ LYS 68 HZ2 LYS 68 0.431 -8.893 -6.330 547 3HZ LYS 68 HZ3 LYS 68 -0.148 -9.194 -4.762 548 H ILE 69 HN ILE 69 -3.774 -9.379 -4.819 549 HA ILE 69 HA ILE 69 -6.196 -10.467 -6.202 550 HB ILE 69 HB ILE 69 -4.890 -12.334 -6.900 551 1HG1 ILE 69 HG11 ILE 69 -3.700 -12.619 -4.666 552 2HG1 ILE 69 HG12 ILE 69 -2.741 -12.961 -6.097 553 1HG2 ILE 69 HG21 ILE 69 -3.161 -11.352 -8.231 554 2HG2 ILE 69 HG22 ILE 69 -2.959 -10.018 -7.093 555 3HG2 ILE 69 HG23 ILE 69 -4.429 -10.138 -8.062 556 1HD1 ILE 69 HD11 ILE 69 -2.329 -10.930 -4.038 557 2HD1 ILE 69 HD12 ILE 69 -2.286 -10.246 -5.660 558 3HD1 ILE 69 HD13 ILE 69 -1.199 -11.562 -5.232 559 H ASP 70 HN ASP 70 -4.112 -10.708 -3.352 560 HA ASP 70 HA ASP 70 -6.036 -12.670 -2.170 561 1HB ASP 70 HB1 ASP 70 -3.121 -12.157 -2.101 562 2HB ASP 70 HB2 ASP 70 -3.824 -12.581 -0.539 563 H VAL 71 HN VAL 71 -5.362 -12.200 0.548 564 HA VAL 71 HA VAL 71 -6.689 -9.562 0.896 565 HB VAL 71 HB VAL 71 -7.956 -11.376 1.769 566 1HG1 VAL 71 HG21 VAL 71 -6.413 -12.550 3.802 567 2HG1 VAL 71 HG22 VAL 71 -5.360 -12.496 2.396 568 3HG1 VAL 71 HG23 VAL 71 -6.921 -13.296 2.289 569 1HG2 VAL 71 HG11 VAL 71 -8.434 -10.417 3.760 570 2HG2 VAL 71 HG12 VAL 71 -7.134 -9.291 3.367 571 3HG2 VAL 71 HG13 VAL 71 -6.808 -10.694 4.385 572 H ASN 72 HN ASN 72 -3.936 -11.408 2.371 573 HA ASN 72 HA ASN 72 -3.142 -9.414 4.239 574 1HB ASN 72 HB2 ASN 72 -2.250 -11.888 3.227 575 2HB ASN 72 HB1 ASN 72 -0.933 -10.765 2.892 576 1HD2 ASN 72 HD22 ASN 72 -3.235 -11.335 5.630 577 2HD2 ASN 72 HD21 ASN 72 -2.045 -11.237 6.836 578 H LYS 73 HN LYS 73 -2.861 -9.647 0.789 579 HA LYS 73 HA LYS 73 -0.812 -7.671 0.340 580 1HB LYS 73 HB2 LYS 73 -2.993 -9.090 -1.171 581 2HB LYS 73 HB1 LYS 73 -2.162 -7.747 -1.945 582 1HG LYS 73 HG1 LYS 73 -1.234 -10.141 -2.319 583 2HG LYS 73 HG2 LYS 73 -0.091 -8.871 -1.949 584 1HD LYS 73 HD1 LYS 73 0.541 -10.721 -0.575 585 2HD LYS 73 HD2 LYS 73 -0.297 -9.623 0.515 586 1HE LYS 73 HE2 LYS 73 -1.679 -11.359 1.036 587 2HE LYS 73 HE1 LYS 73 -2.307 -11.239 -0.614 588 1HZ LYS 73 HZ1 LYS 73 -0.220 -12.519 -1.268 589 2HZ LYS 73 HZ2 LYS 73 -1.439 -13.399 -0.479 590 3HZ LYS 73 HZ3 LYS 73 -0.064 -12.895 0.381 591 H THR 74 HN THR 74 -4.329 -7.491 -0.310 592 HA THR 74 HA THR 74 -4.376 -4.609 -0.425 593 HB THR 74 HB THR 74 -6.499 -6.744 0.009 594 HG1 THR 74 HG1 THR 74 -5.895 -7.029 -1.995 595 1HG2 THR 74 HG21 THR 74 -7.996 -5.094 0.322 596 2HG2 THR 74 HG22 THR 74 -7.516 -4.361 -1.210 597 3HG2 THR 74 HG23 THR 74 -6.693 -3.909 0.282 598 H ARG 75 HN ARG 75 -5.362 -6.948 2.098 599 HA ARG 75 HA ARG 75 -6.415 -5.294 4.047 600 1HB ARG 75 HB2 ARG 75 -6.146 -7.766 4.138 601 2HB ARG 75 HB1 ARG 75 -4.417 -7.555 4.418 602 1HG ARG 75 HG1 ARG 75 -5.387 -5.951 6.366 603 2HG ARG 75 HG2 ARG 75 -6.705 -7.119 6.265 604 1HD ARG 75 HD1 ARG 75 -4.777 -8.905 6.316 605 2HD ARG 75 HD2 ARG 75 -3.823 -7.580 7.009 606 HE ARG 75 HE ARG 75 -6.416 -7.718 8.265 607 1HH1 ARG 75 HH22 ARG 75 -3.313 -9.290 8.140 608 2HH1 ARG 75 HH21 ARG 75 -3.433 -9.898 9.755 609 1HH2 ARG 75 HH12 ARG 75 -6.549 -8.518 10.357 610 2HH2 ARG 75 HH11 ARG 75 -5.250 -9.465 11.002 611 H LYS 76 HN LYS 76 -2.925 -5.788 3.380 612 HA LYS 76 HA LYS 76 -2.105 -4.093 5.593 613 1HB LYS 76 HB1 LYS 76 -0.940 -5.635 3.324 614 2HB LYS 76 HB2 LYS 76 0.058 -4.362 4.007 615 1HG LYS 76 HG1 LYS 76 -0.772 -5.461 6.298 616 2HG LYS 76 HG2 LYS 76 -0.928 -6.880 5.265 617 1HD LYS 76 HD2 LYS 76 1.379 -6.879 4.728 618 2HD LYS 76 HD1 LYS 76 1.592 -5.218 5.281 619 1HE LYS 76 HE2 LYS 76 0.571 -6.671 7.497 620 2HE LYS 76 HE1 LYS 76 1.874 -7.652 6.798 621 1HZ LYS 76 HZ1 LYS 76 2.013 -4.753 7.462 622 2HZ LYS 76 HZ2 LYS 76 3.252 -5.642 6.713 623 3HZ LYS 76 HZ3 LYS 76 2.790 -6.005 8.307 624 H ILE 77 HN ILE 77 -2.269 -3.654 2.023 625 HA ILE 77 HA ILE 77 -1.222 -0.970 2.003 626 HB ILE 77 HB ILE 77 -3.156 -2.460 0.183 627 1HG1 ILE 77 HG11 ILE 77 -0.158 -2.004 0.054 628 2HG1 ILE 77 HG12 ILE 77 -0.971 -3.539 0.345 629 1HG2 ILE 77 HG21 ILE 77 -1.517 0.011 -0.450 630 2HG2 ILE 77 HG22 ILE 77 -3.228 0.060 -0.021 631 3HG2 ILE 77 HG23 ILE 77 -2.709 -0.772 -1.488 632 1HD1 ILE 77 HD11 ILE 77 -0.428 -3.590 -1.961 633 2HD1 ILE 77 HD12 ILE 77 -0.919 -1.912 -2.195 634 3HD1 ILE 77 HD13 ILE 77 -2.137 -3.157 -1.918 635 H TYR 78 HN TYR 78 -4.585 -2.124 1.717 636 HA TYR 78 HA TYR 78 -5.917 0.340 1.968 637 1HB TYR 78 HB1 TYR 78 -6.478 -2.448 1.944 638 2HB TYR 78 HB2 TYR 78 -7.306 -1.780 3.348 639 HD1 TYR 78 HD1 TYR 78 -7.360 -2.152 -0.215 640 HD2 TYR 78 HD2 TYR 78 -8.703 0.375 2.988 641 HE1 TYR 78 HE1 TYR 78 -9.081 -1.174 -1.707 642 HE2 TYR 78 HE2 TYR 78 -10.424 1.353 1.494 643 HH TYR 78 HH TYR 78 -11.589 0.123 -1.006 644 H ASP 79 HN ASP 79 -4.921 -1.927 4.567 645 HA ASP 79 HA ASP 79 -5.983 -0.639 6.806 646 1HB ASP 79 HB1 ASP 79 -3.609 -2.301 6.146 647 2HB ASP 79 HB2 ASP 79 -3.504 -1.431 7.670 648 H PHE 80 HN PHE 80 -2.840 0.083 5.241 649 HA PHE 80 HA PHE 80 -2.032 2.183 6.953 650 1HB PHE 80 HB2 PHE 80 -0.834 0.927 5.027 651 2HB PHE 80 HB1 PHE 80 -1.583 2.118 3.962 652 HD1 PHE 80 HD1 PHE 80 -0.883 4.435 3.971 653 HD2 PHE 80 HD2 PHE 80 0.778 1.631 6.769 654 HE1 PHE 80 HE1 PHE 80 0.875 6.078 4.574 655 HE2 PHE 80 HE2 PHE 80 2.535 3.274 7.373 656 HZ PHE 80 HZ PHE 80 2.583 5.498 6.275 657 H LEU 81 HN LEU 81 -3.736 2.482 3.796 658 HA LEU 81 HA LEU 81 -4.131 5.307 3.967 659 1HB LEU 81 HB1 LEU 81 -5.800 3.152 2.618 660 2HB LEU 81 HB2 LEU 81 -5.790 4.862 2.187 661 HG LEU 81 HG LEU 81 -3.092 3.769 2.270 662 1HD1 LEU 81 HD21 LEU 81 -3.205 1.997 0.836 663 2HD1 LEU 81 HD22 LEU 81 -4.549 2.691 -0.072 664 3HD1 LEU 81 HD23 LEU 81 -4.850 1.861 1.453 665 1HD2 LEU 81 HD11 LEU 81 -4.863 5.318 0.415 666 2HD2 LEU 81 HD12 LEU 81 -3.380 4.611 -0.226 667 3HD2 LEU 81 HD13 LEU 81 -3.303 5.766 1.105 668 H ILE 82 HN ILE 82 -6.198 2.599 5.000 669 HA ILE 82 HA ILE 82 -8.501 4.069 5.790 670 HB ILE 82 HB ILE 82 -7.190 1.521 6.795 671 1HG1 ILE 82 HG11 ILE 82 -7.935 1.714 4.362 672 2HG1 ILE 82 HG12 ILE 82 -8.629 0.376 5.272 673 1HG2 ILE 82 HG21 ILE 82 -9.333 0.936 7.807 674 2HG2 ILE 82 HG22 ILE 82 -10.043 2.450 7.246 675 3HG2 ILE 82 HG23 ILE 82 -8.776 2.471 8.474 676 1HD1 ILE 82 HD11 ILE 82 -10.025 2.359 3.849 677 2HD1 ILE 82 HD12 ILE 82 -10.260 2.758 5.551 678 3HD1 ILE 82 HD13 ILE 82 -10.712 1.163 4.948 679 H ARG 83 HN ARG 83 -6.174 2.625 8.063 680 HA ARG 83 HA ARG 83 -6.839 4.106 10.341 681 1HB ARG 83 HB1 ARG 83 -4.293 2.868 9.301 682 2HB ARG 83 HB2 ARG 83 -4.397 3.555 10.925 683 1HG ARG 83 HG1 ARG 83 -5.335 1.633 11.611 684 2HG ARG 83 HG2 ARG 83 -6.721 1.981 10.589 685 1HD ARG 83 HD2 ARG 83 -5.954 0.629 8.843 686 2HD ARG 83 HD1 ARG 83 -4.258 0.768 9.352 687 HE ARG 83 HE ARG 83 -6.214 -1.124 10.422 688 1HH1 ARG 83 HH21 ARG 83 -3.334 0.719 11.077 689 2HH1 ARG 83 HH22 ARG 83 -2.796 -0.357 12.319 690 1HH2 ARG 83 HH12 ARG 83 -5.493 -2.506 12.038 691 2HH2 ARG 83 HH11 ARG 83 -4.006 -2.169 12.861 692 H GLU 84 HN GLU 84 -4.812 5.063 7.604 693 HA GLU 84 HA GLU 84 -3.931 7.536 8.973 694 1HB GLU 84 HB1 GLU 84 -3.492 6.376 6.196 695 2HB GLU 84 HB2 GLU 84 -2.696 7.825 6.808 696 1HG GLU 84 HG2 GLU 84 -2.540 5.188 8.275 697 2HG GLU 84 HG1 GLU 84 -1.391 5.615 7.007 698 H GLY 85 HN GLY 85 -4.054 9.507 7.235 699 1HA GLY 85 HA1 GLY 85 -6.950 9.915 6.802 700 2HA GLY 85 HA2 GLY 85 -5.708 11.164 6.722 701 H TYR 86 HN TYR 86 -6.463 8.096 5.001 702 HA TYR 86 HA TYR 86 -5.842 9.552 2.449 703 1HB TYR 86 HB1 TYR 86 -5.287 6.791 3.508 704 2HB TYR 86 HB2 TYR 86 -5.408 7.031 1.765 705 HD1 TYR 86 HD1 TYR 86 -3.469 7.768 4.796 706 HD2 TYR 86 HD2 TYR 86 -3.812 8.479 0.574 707 HE1 TYR 86 HE1 TYR 86 -1.163 8.680 4.763 708 HE2 TYR 86 HE2 TYR 86 -1.506 9.391 0.541 709 HH TYR 86 HH TYR 86 0.153 10.240 1.915 710 H ILE 87 HN ILE 87 -7.742 6.797 3.751 711 HA ILE 87 HA ILE 87 -9.968 7.591 1.912 712 HB ILE 87 HB ILE 87 -10.211 5.142 1.415 713 1HG1 ILE 87 HG12 ILE 87 -7.606 4.956 2.961 714 2HG1 ILE 87 HG11 ILE 87 -9.159 4.307 3.487 715 1HG2 ILE 87 HG21 ILE 87 -8.575 6.908 0.229 716 2HG2 ILE 87 HG22 ILE 87 -8.660 5.224 -0.286 717 3HG2 ILE 87 HG23 ILE 87 -7.361 5.754 0.783 718 1HD1 ILE 87 HD11 ILE 87 -7.932 2.488 2.490 719 2HD1 ILE 87 HD12 ILE 87 -7.537 3.461 1.072 720 3HD1 ILE 87 HD13 ILE 87 -9.200 2.945 1.353 721 H THR 88 HN THR 88 -11.683 5.461 2.634 722 HA THR 88 HA THR 88 -11.950 5.717 5.601 723 HB THR 88 HB THR 88 -14.510 5.944 4.865 724 HG1 THR 88 HG1 THR 88 -14.511 7.282 2.942 725 1HG2 THR 88 HG21 THR 88 -13.795 8.545 4.513 726 2HG2 THR 88 HG22 THR 88 -12.323 7.905 5.244 727 3HG2 THR 88 HG23 THR 88 -13.863 7.759 6.090 728 H LYS 89 HN LYS 89 -14.136 4.286 6.101 729 HA LYS 89 HA LYS 89 -13.994 1.761 4.542 730 1HB LYS 89 HB1 LYS 89 -13.722 0.512 6.685 731 2HB LYS 89 HB2 LYS 89 -12.357 1.578 6.353 732 1HG LYS 89 HG2 LYS 89 -13.760 3.319 7.722 733 2HG LYS 89 HG1 LYS 89 -14.556 1.889 8.371 734 1HD LYS 89 HD1 LYS 89 -12.817 1.575 9.767 735 2HD LYS 89 HD2 LYS 89 -11.753 1.378 8.374 736 1HE LYS 89 HE1 LYS 89 -10.887 3.209 9.730 737 2HE LYS 89 HE2 LYS 89 -11.595 3.916 8.265 738 1HZ LYS 89 HZ1 LYS 89 -12.412 5.037 10.258 739 2HZ LYS 89 HZ2 LYS 89 -12.982 3.562 10.876 740 3HZ LYS 89 HZ3 LYS 89 -13.676 4.218 9.473 741 H ALA 90 HN ALA 90 -15.602 3.573 7.155 742 HA ALA 90 HA ALA 90 -17.865 3.582 7.837 743 1HB ALA 90 HB1 ALA 90 -17.965 4.386 5.474 744 2HB ALA 90 HB2 ALA 90 -19.410 3.476 5.914 745 3HB ALA 90 HB3 ALA 90 -18.155 2.718 4.934 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -24.210 16.219 -3.094 2 2H GLY 1 HT2 GLY 1 -22.933 16.996 -3.900 3 3H GLY 1 HT3 GLY 1 -23.916 17.869 -2.825 4 1HA GLY 1 HA2 GLY 1 -21.574 17.006 -2.090 5 2HA GLY 1 HA1 GLY 1 -22.937 17.017 -0.971 6 H SER 2 HN SER 2 -20.477 15.134 -1.672 7 HA SER 2 HA SER 2 -21.743 12.571 -2.246 8 1HB SER 2 HB2 SER 2 -19.102 13.753 -1.888 9 2HB SER 2 HB1 SER 2 -19.209 12.190 -1.079 10 HG SER 2 HG SER 2 -18.770 11.573 -3.069 11 H ASN 3 HN ASN 3 -22.019 10.834 -0.735 12 HA ASN 3 HA ASN 3 -22.111 11.697 2.138 13 1HB ASN 3 HB2 ASN 3 -24.065 10.668 0.312 14 2HB ASN 3 HB1 ASN 3 -23.798 9.448 1.556 15 1HD2 ASN 3 HD21 ASN 3 -23.548 10.662 3.896 16 2HD2 ASN 3 HD22 ASN 3 -24.793 11.769 4.219 17 H SER 4 HN SER 4 -20.202 10.802 2.948 18 HA SER 4 HA SER 4 -18.666 9.126 3.589 19 1HB SER 4 HB2 SER 4 -21.266 8.359 4.095 20 2HB SER 4 HB1 SER 4 -20.665 6.990 3.159 21 HG SER 4 HG SER 4 -19.969 7.867 5.677 22 H GLY 5 HN GLY 5 -18.727 6.349 2.709 23 1HA GLY 5 HA1 GLY 5 -17.921 6.744 -0.144 24 2HA GLY 5 HA2 GLY 5 -17.148 5.588 0.941 25 H ARG 6 HN ARG 6 -18.375 3.686 1.570 26 HA ARG 6 HA ARG 6 -19.755 1.845 1.034 27 1HB ARG 6 HB1 ARG 6 -21.337 4.356 0.979 28 2HB ARG 6 HB2 ARG 6 -22.108 2.972 0.203 29 1HG ARG 6 HG2 ARG 6 -21.056 1.891 2.535 30 2HG ARG 6 HG1 ARG 6 -21.627 3.479 3.046 31 1HD ARG 6 HD2 ARG 6 -23.847 2.998 2.042 32 2HD ARG 6 HD1 ARG 6 -23.269 1.391 1.563 33 HE ARG 6 HE ARG 6 -22.790 1.931 4.381 34 1HH1 ARG 6 HH21 ARG 6 -25.171 0.917 2.053 35 2HH1 ARG 6 HH22 ARG 6 -26.089 0.025 3.216 36 1HH2 ARG 6 HH11 ARG 6 -23.997 0.766 5.873 37 2HH2 ARG 6 HH12 ARG 6 -25.431 -0.061 5.363 38 H ARG 7 HN ARG 7 -18.265 1.482 -0.885 39 HA ARG 7 HA ARG 7 -19.788 1.838 -3.444 40 1HB ARG 7 HB1 ARG 7 -17.070 2.653 -2.602 41 2HB ARG 7 HB2 ARG 7 -17.134 1.847 -4.170 42 1HG ARG 7 HG2 ARG 7 -19.304 3.577 -4.252 43 2HG ARG 7 HG1 ARG 7 -18.070 4.515 -3.412 44 1HD ARG 7 HD1 ARG 7 -16.464 3.784 -5.291 45 2HD ARG 7 HD2 ARG 7 -17.918 3.273 -6.170 46 HE ARG 7 HE ARG 7 -18.478 5.557 -6.443 47 1HH1 ARG 7 HH21 ARG 7 -16.129 5.154 -3.907 48 2HH1 ARG 7 HH22 ARG 7 -15.912 6.855 -3.687 49 1HH2 ARG 7 HH11 ARG 7 -18.180 7.760 -6.141 50 2HH2 ARG 7 HH12 ARG 7 -17.063 8.322 -4.941 51 H SER 8 HN SER 8 -20.520 -0.394 -3.194 52 HA SER 8 HA SER 8 -20.332 -2.733 -3.476 53 1HB SER 8 HB2 SER 8 -17.865 -1.755 -4.965 54 2HB SER 8 HB1 SER 8 -18.642 -3.322 -5.194 55 HG SER 8 HG SER 8 -19.412 -1.925 -6.746 56 H ALA 9 HN ALA 9 -18.340 -4.531 -3.402 57 HA ALA 9 HA ALA 9 -16.439 -3.811 -1.242 58 1HB ALA 9 HB1 ALA 9 -17.694 -6.286 -0.543 59 2HB ALA 9 HB2 ALA 9 -18.963 -5.102 -0.864 60 3HB ALA 9 HB3 ALA 9 -17.725 -4.763 0.346 61 HA PRO 10 HA PRO 10 -14.173 -6.544 -3.995 62 1HB PRO 10 HB2 PRO 10 -12.024 -6.266 -1.986 63 2HB PRO 10 HB1 PRO 10 -12.010 -5.818 -3.699 64 1HG PRO 10 HG2 PRO 10 -12.061 -4.002 -1.719 65 2HG PRO 10 HG1 PRO 10 -12.850 -3.731 -3.279 66 1HD PRO 10 HD2 PRO 10 -14.051 -4.472 -0.650 67 2HD PRO 10 HD1 PRO 10 -14.668 -3.399 -1.920 68 HA PRO 11 HA PRO 11 -14.406 -10.337 -1.787 69 1HB PRO 11 HB2 PRO 11 -12.328 -11.657 -3.283 70 2HB PRO 11 HB1 PRO 11 -14.075 -11.741 -3.550 71 1HG PRO 11 HG1 PRO 11 -12.214 -10.529 -5.223 72 2HG PRO 11 HG2 PRO 11 -13.966 -10.308 -5.275 73 1HD PRO 11 HD2 PRO 11 -11.874 -8.513 -4.212 74 2HD PRO 11 HD1 PRO 11 -13.483 -8.131 -4.852 75 H LEU 12 HN LEU 12 -11.905 -8.356 -1.201 76 HA LEU 12 HA LEU 12 -10.300 -10.397 0.292 77 1HB LEU 12 HB1 LEU 12 -9.679 -7.544 -0.562 78 2HB LEU 12 HB2 LEU 12 -8.558 -8.609 0.277 79 HG LEU 12 HG LEU 12 -7.925 -8.819 -1.973 80 1HD1 LEU 12 HD21 LEU 12 -8.701 -11.035 -0.733 81 2HD1 LEU 12 HD22 LEU 12 -8.187 -11.073 -2.419 82 3HD1 LEU 12 HD23 LEU 12 -9.905 -11.061 -2.021 83 1HD2 LEU 12 HD11 LEU 12 -9.268 -8.291 -3.695 84 2HD2 LEU 12 HD12 LEU 12 -10.487 -7.881 -2.489 85 3HD2 LEU 12 HD13 LEU 12 -10.472 -9.488 -3.217 86 H ASN 13 HN ASN 13 -9.152 -8.410 2.083 87 HA ASN 13 HA ASN 13 -11.373 -8.210 4.014 88 1HB ASN 13 HB1 ASN 13 -8.413 -7.524 4.134 89 2HB ASN 13 HB2 ASN 13 -9.497 -7.565 5.524 90 1HD2 ASN 13 HD21 ASN 13 -10.999 -9.901 4.929 91 2HD2 ASN 13 HD22 ASN 13 -9.964 -11.246 4.954 92 H LEU 14 HN LEU 14 -11.790 -6.493 1.818 93 HA LEU 14 HA LEU 14 -11.422 -3.806 3.090 94 1HB LEU 14 HB2 LEU 14 -10.545 -4.905 0.515 95 2HB LEU 14 HB1 LEU 14 -11.495 -3.432 0.322 96 HG LEU 14 HG LEU 14 -9.964 -2.549 2.284 97 1HD1 LEU 14 HD11 LEU 14 -8.888 -4.777 2.626 98 2HD1 LEU 14 HD12 LEU 14 -7.720 -3.512 2.243 99 3HD1 LEU 14 HD13 LEU 14 -8.209 -4.665 1.002 100 1HD2 LEU 14 HD21 LEU 14 -9.157 -2.876 -0.615 101 2HD2 LEU 14 HD22 LEU 14 -8.258 -1.862 0.515 102 3HD2 LEU 14 HD23 LEU 14 -9.940 -1.486 0.138 103 H THR 15 HN THR 15 -13.677 -5.741 3.087 104 HA THR 15 HA THR 15 -15.696 -4.165 1.526 105 HB THR 15 HB THR 15 -15.555 -6.381 0.635 106 HG1 THR 15 HG1 THR 15 -17.578 -6.537 2.609 107 1HG2 THR 15 HG21 THR 15 -14.202 -7.456 2.325 108 2HG2 THR 15 HG22 THR 15 -15.683 -8.398 2.145 109 3HG2 THR 15 HG23 THR 15 -15.492 -7.313 3.521 110 H GLY 16 HN GLY 16 -16.269 -2.719 3.202 111 1HA GLY 16 HA1 GLY 16 -17.838 -2.195 4.930 112 2HA GLY 16 HA2 GLY 16 -17.917 -3.908 5.344 113 H LEU 17 HN LEU 17 -14.956 -1.993 4.969 114 HA LEU 17 HA LEU 17 -14.504 -2.247 7.920 115 1HB LEU 17 HB2 LEU 17 -12.749 -2.976 5.564 116 2HB LEU 17 HB1 LEU 17 -12.089 -2.759 7.181 117 HG LEU 17 HG LEU 17 -14.458 -4.558 6.743 118 1HD1 LEU 17 HD21 LEU 17 -11.681 -5.679 6.746 119 2HD1 LEU 17 HD22 LEU 17 -12.321 -5.035 5.234 120 3HD1 LEU 17 HD23 LEU 17 -13.157 -6.353 6.056 121 1HD2 LEU 17 HD11 LEU 17 -14.089 -5.087 8.906 122 2HD2 LEU 17 HD12 LEU 17 -13.008 -3.694 8.948 123 3HD2 LEU 17 HD13 LEU 17 -12.360 -5.303 8.632 124 HA PRO 18 HA PRO 18 -13.190 1.945 7.673 125 1HB PRO 18 HB2 PRO 18 -11.329 2.056 9.675 126 2HB PRO 18 HB1 PRO 18 -13.063 1.874 10.004 127 1HG PRO 18 HG2 PRO 18 -10.911 -0.199 9.949 128 2HG PRO 18 HG1 PRO 18 -12.247 0.004 11.095 129 1HD PRO 18 HD2 PRO 18 -12.273 -1.806 9.059 130 2HD PRO 18 HD1 PRO 18 -13.745 -1.061 9.719 131 H GLY 19 HN GLY 19 -11.610 3.164 6.594 132 1HA GLY 19 HA1 GLY 19 -9.362 3.656 5.871 133 2HA GLY 19 HA2 GLY 19 -8.905 1.996 6.250 134 H THR 20 HN THR 20 -11.022 0.672 4.863 135 HA THR 20 HA THR 20 -10.001 0.307 2.286 136 HB THR 20 HB THR 20 -12.887 0.180 3.231 137 HG1 THR 20 HG1 THR 20 -12.356 -1.664 4.138 138 1HG2 THR 20 HG21 THR 20 -11.973 -0.133 0.673 139 2HG2 THR 20 HG22 THR 20 -13.396 -0.950 1.319 140 3HG2 THR 20 HG23 THR 20 -11.842 -1.781 1.285 141 H GLU 21 HN GLU 21 -12.491 2.629 3.340 142 HA GLU 21 HA GLU 21 -12.961 3.678 0.666 143 1HB GLU 21 HB1 GLU 21 -14.648 3.759 2.436 144 2HB GLU 21 HB2 GLU 21 -13.556 4.675 3.473 145 1HG GLU 21 HG1 GLU 21 -13.510 6.449 1.638 146 2HG GLU 21 HG2 GLU 21 -14.843 5.575 0.884 147 H LYS 22 HN LYS 22 -10.855 4.496 3.391 148 HA LYS 22 HA LYS 22 -10.019 7.091 2.551 149 1HB LYS 22 HB2 LYS 22 -8.693 4.829 4.082 150 2HB LYS 22 HB1 LYS 22 -7.957 6.422 3.920 151 1HG LYS 22 HG2 LYS 22 -10.538 7.027 4.700 152 2HG LYS 22 HG1 LYS 22 -10.194 5.560 5.616 153 1HD LYS 22 HD1 LYS 22 -8.033 6.610 6.357 154 2HD LYS 22 HD2 LYS 22 -8.544 8.104 5.570 155 1HE LYS 22 HE1 LYS 22 -9.960 8.623 7.277 156 2HE LYS 22 HE2 LYS 22 -10.601 6.971 7.347 157 1HZ LYS 22 HZ1 LYS 22 -7.911 7.778 8.330 158 2HZ LYS 22 HZ2 LYS 22 -8.638 6.253 8.500 159 3HZ LYS 22 HZ3 LYS 22 -9.269 7.592 9.332 160 H LEU 23 HN LEU 23 -9.226 3.889 1.381 161 HA LEU 23 HA LEU 23 -6.756 4.527 0.043 162 1HB LEU 23 HB1 LEU 23 -8.909 2.462 -0.558 163 2HB LEU 23 HB2 LEU 23 -7.245 2.399 -1.135 164 HG LEU 23 HG LEU 23 -8.132 2.328 1.766 165 1HD1 LEU 23 HD21 LEU 23 -7.297 0.275 -0.243 166 2HD1 LEU 23 HD22 LEU 23 -8.503 0.163 1.039 167 3HD1 LEU 23 HD23 LEU 23 -6.787 0.053 1.431 168 1HD2 LEU 23 HD11 LEU 23 -6.061 3.363 1.917 169 2HD2 LEU 23 HD12 LEU 23 -5.470 2.628 0.426 170 3HD2 LEU 23 HD13 LEU 23 -5.564 1.670 1.905 171 H ASN 24 HN ASN 24 -6.555 5.939 -1.642 172 HA ASN 24 HA ASN 24 -8.604 7.247 -3.032 173 1HB ASN 24 HB1 ASN 24 -5.788 7.023 -3.063 174 2HB ASN 24 HB2 ASN 24 -6.299 6.709 -4.722 175 1HD2 ASN 24 HD21 ASN 24 -6.485 9.119 -2.089 176 2HD2 ASN 24 HD22 ASN 24 -6.881 10.428 -3.095 177 H GLU 25 HN GLU 25 -9.241 6.965 -5.361 178 HA GLU 25 HA GLU 25 -10.460 4.504 -5.930 179 1HB GLU 25 HB2 GLU 25 -10.166 7.036 -7.077 180 2HB GLU 25 HB1 GLU 25 -9.520 5.944 -8.302 181 1HG GLU 25 HG1 GLU 25 -11.762 5.858 -8.861 182 2HG GLU 25 HG2 GLU 25 -11.705 4.546 -7.685 183 H LYS 26 HN LYS 26 -7.162 5.566 -6.646 184 HA LYS 26 HA LYS 26 -6.560 3.255 -8.342 185 1HB LYS 26 HB2 LYS 26 -5.289 5.730 -7.327 186 2HB LYS 26 HB1 LYS 26 -4.171 4.391 -7.592 187 1HG LYS 26 HG2 LYS 26 -4.331 5.653 -9.656 188 2HG LYS 26 HG1 LYS 26 -5.164 4.116 -9.892 189 1HD LYS 26 HD2 LYS 26 -7.280 5.104 -9.826 190 2HD LYS 26 HD1 LYS 26 -6.708 6.503 -8.918 191 1HE LYS 26 HE1 LYS 26 -6.585 7.607 -10.901 192 2HE LYS 26 HE2 LYS 26 -5.243 6.530 -11.333 193 1HZ LYS 26 HZ1 LYS 26 -6.714 4.982 -12.282 194 2HZ LYS 26 HZ2 LYS 26 -7.271 6.484 -12.846 195 3HZ LYS 26 HZ3 LYS 26 -8.080 5.701 -11.574 196 H GLU 27 HN GLU 27 -5.522 4.325 -5.071 197 HA GLU 27 HA GLU 27 -4.059 1.944 -4.453 198 1HB GLU 27 HB2 GLU 27 -5.542 3.815 -2.573 199 2HB GLU 27 HB1 GLU 27 -4.143 2.813 -2.184 200 1HG GLU 27 HG2 GLU 27 -2.960 4.114 -4.103 201 2HG GLU 27 HG1 GLU 27 -4.267 5.282 -3.907 202 H LYS 28 HN LYS 28 -7.494 2.691 -4.362 203 HA LYS 28 HA LYS 28 -8.443 0.682 -2.589 204 1HB LYS 28 HB2 LYS 28 -9.423 2.490 -4.566 205 2HB LYS 28 HB1 LYS 28 -10.068 0.898 -4.964 206 1HG LYS 28 HG1 LYS 28 -11.330 0.781 -3.051 207 2HG LYS 28 HG2 LYS 28 -10.149 1.675 -2.093 208 1HD LYS 28 HD2 LYS 28 -10.890 3.651 -3.741 209 2HD LYS 28 HD1 LYS 28 -12.371 2.695 -3.805 210 1HE LYS 28 HE2 LYS 28 -12.830 3.013 -1.538 211 2HE LYS 28 HE1 LYS 28 -11.123 3.266 -1.127 212 1HZ LYS 28 HZ1 LYS 28 -12.212 5.388 -1.141 213 2HZ LYS 28 HZ2 LYS 28 -12.889 5.096 -2.671 214 3HZ LYS 28 HZ3 LYS 28 -11.212 5.310 -2.512 215 H GLU 29 HN GLU 29 -7.482 0.535 -6.002 216 HA GLU 29 HA GLU 29 -8.082 -2.304 -6.310 217 1HB GLU 29 HB1 GLU 29 -8.079 -0.695 -8.181 218 2HB GLU 29 HB2 GLU 29 -6.383 -0.319 -7.875 219 1HG GLU 29 HG1 GLU 29 -6.533 -3.134 -8.099 220 2HG GLU 29 HG2 GLU 29 -7.505 -2.486 -9.420 221 H LEU 30 HN LEU 30 -5.277 -0.326 -5.438 222 HA LEU 30 HA LEU 30 -3.196 -2.230 -5.653 223 1HB LEU 30 HB1 LEU 30 -2.965 0.196 -5.076 224 2HB LEU 30 HB2 LEU 30 -3.694 -0.127 -3.508 225 HG LEU 30 HG LEU 30 -1.860 -1.644 -2.926 226 1HD1 LEU 30 HD11 LEU 30 -1.397 -1.524 -5.771 227 2HD1 LEU 30 HD12 LEU 30 -0.677 -2.611 -4.580 228 3HD1 LEU 30 HD13 LEU 30 0.066 -1.045 -4.911 229 1HD2 LEU 30 HD21 LEU 30 -0.879 1.017 -4.005 230 2HD2 LEU 30 HD22 LEU 30 -0.054 0.033 -2.797 231 3HD2 LEU 30 HD23 LEU 30 -1.616 0.761 -2.424 232 H CYS 31 HN CYS 31 -5.551 -1.698 -3.028 233 HA CYS 31 HA CYS 31 -4.419 -3.777 -1.321 234 1HB CYS 31 HB2 CYS 31 -6.137 -1.601 -1.101 235 2HB CYS 31 HB1 CYS 31 -7.222 -2.978 -0.911 236 HG CYS 31 HG CYS 31 -6.167 -2.380 1.438 237 H GLN 32 HN GLN 32 -7.379 -3.537 -3.340 238 HA GLN 32 HA GLN 32 -8.481 -6.076 -2.847 239 1HB GLN 32 HB2 GLN 32 -8.304 -4.334 -5.328 240 2HB GLN 32 HB1 GLN 32 -9.328 -5.769 -5.250 241 1HG GLN 32 HG1 GLN 32 -10.386 -4.784 -3.175 242 2HG GLN 32 HG2 GLN 32 -9.497 -3.300 -3.503 243 1HE2 GLN 32 HE22 GLN 32 -11.317 -1.985 -4.092 244 2HE2 GLN 32 HE21 GLN 32 -12.274 -2.301 -5.458 245 H VAL 33 HN VAL 33 -5.973 -5.182 -5.231 246 HA VAL 33 HA VAL 33 -5.616 -7.789 -6.369 247 HB VAL 33 HB VAL 33 -3.650 -5.502 -5.951 248 1HG1 VAL 33 HG11 VAL 33 -2.654 -6.420 -8.070 249 2HG1 VAL 33 HG12 VAL 33 -3.744 -7.800 -7.927 250 3HG1 VAL 33 HG13 VAL 33 -2.517 -7.514 -6.693 251 1HG2 VAL 33 HG21 VAL 33 -6.089 -5.444 -7.287 252 2HG2 VAL 33 HG22 VAL 33 -4.924 -5.766 -8.572 253 3HG2 VAL 33 HG23 VAL 33 -4.742 -4.337 -7.554 254 H VAL 34 HN VAL 34 -3.571 -6.074 -3.974 255 HA VAL 34 HA VAL 34 -2.447 -8.650 -3.056 256 HB VAL 34 HB VAL 34 -1.101 -6.562 -3.437 257 1HG1 VAL 34 HG11 VAL 34 -1.660 -4.582 -2.520 258 2HG1 VAL 34 HG12 VAL 34 -1.850 -5.302 -0.922 259 3HG1 VAL 34 HG13 VAL 34 -3.190 -5.332 -2.068 260 1HG2 VAL 34 HG21 VAL 34 -1.014 -7.183 -0.504 261 2HG2 VAL 34 HG22 VAL 34 0.321 -6.904 -1.623 262 3HG2 VAL 34 HG23 VAL 34 -0.585 -8.418 -1.688 263 H ARG 35 HN ARG 35 -4.776 -9.208 -2.419 264 HA ARG 35 HA ARG 35 -6.534 -8.280 -0.661 265 1HB ARG 35 HB2 ARG 35 -6.723 -10.605 0.238 266 2HB ARG 35 HB1 ARG 35 -6.510 -10.563 -1.514 267 1HG ARG 35 HG1 ARG 35 -4.631 -11.781 -1.322 268 2HG ARG 35 HG2 ARG 35 -3.935 -10.522 -0.300 269 1HD ARG 35 HD1 ARG 35 -4.347 -11.698 1.624 270 2HD ARG 35 HD2 ARG 35 -5.923 -12.267 1.043 271 HE ARG 35 HE ARG 35 -3.402 -13.669 0.730 272 1HH1 ARG 35 HH11 ARG 35 -6.448 -12.973 -0.806 273 2HH1 ARG 35 HH12 ARG 35 -6.428 -14.422 -1.750 274 1HH2 ARG 35 HH22 ARG 35 -3.399 -15.542 -0.504 275 2HH2 ARG 35 HH21 ARG 35 -4.716 -15.867 -1.582 276 H LEU 36 HN LEU 36 -5.855 -6.733 0.855 277 HA LEU 36 HA LEU 36 -4.683 -7.849 3.354 278 1HB LEU 36 HB2 LEU 36 -3.311 -6.219 1.398 279 2HB LEU 36 HB1 LEU 36 -3.482 -5.307 2.894 280 HG LEU 36 HG LEU 36 -2.760 -7.816 3.800 281 1HD1 LEU 36 HD11 LEU 36 -0.987 -7.191 1.431 282 2HD1 LEU 36 HD12 LEU 36 -2.307 -8.357 1.340 283 3HD1 LEU 36 HD13 LEU 36 -0.964 -8.629 2.450 284 1HD2 LEU 36 HD21 LEU 36 -1.144 -6.574 4.786 285 2HD2 LEU 36 HD22 LEU 36 -1.826 -5.201 3.913 286 3HD2 LEU 36 HD23 LEU 36 -0.463 -6.091 3.233 287 H VAL 37 HN VAL 37 -5.685 -6.907 5.144 288 HA VAL 37 HA VAL 37 -7.978 -5.296 4.973 289 HB VAL 37 HB VAL 37 -7.396 -4.756 7.400 290 1HG1 VAL 37 HG21 VAL 37 -8.680 -6.677 7.229 291 2HG1 VAL 37 HG22 VAL 37 -7.212 -7.348 7.939 292 3HG1 VAL 37 HG23 VAL 37 -7.502 -7.499 6.206 293 1HG2 VAL 37 HG11 VAL 37 -5.361 -6.513 7.954 294 2HG2 VAL 37 HG12 VAL 37 -5.177 -4.763 7.845 295 3HG2 VAL 37 HG13 VAL 37 -4.800 -5.777 6.456 296 HA PRO 38 HA PRO 38 -6.674 -1.278 3.976 297 1HB PRO 38 HB1 PRO 38 -8.264 0.300 5.556 298 2HB PRO 38 HB2 PRO 38 -8.823 -0.526 4.089 299 1HG PRO 38 HG1 PRO 38 -9.062 -1.332 6.925 300 2HG PRO 38 HG2 PRO 38 -10.276 -1.423 5.650 301 1HD PRO 38 HD1 PRO 38 -8.894 -3.575 6.489 302 2HD PRO 38 HD2 PRO 38 -9.360 -3.373 4.784 303 H GLY 39 HN GLY 39 -7.266 -1.097 7.511 304 1HA GLY 39 HA1 GLY 39 -5.362 0.853 8.109 305 2HA GLY 39 HA2 GLY 39 -5.827 -0.413 9.239 306 H ALA 40 HN ALA 40 -4.828 -2.517 7.324 307 HA ALA 40 HA ALA 40 -2.156 -2.772 8.356 308 1HB ALA 40 HB1 ALA 40 -3.880 -4.086 6.272 309 2HB ALA 40 HB2 ALA 40 -3.224 -4.770 7.758 310 3HB ALA 40 HB3 ALA 40 -2.174 -4.522 6.363 311 H TYR 41 HN TYR 41 -3.225 -2.250 4.965 312 HA TYR 41 HA TYR 41 -0.721 -1.696 3.818 313 1HB TYR 41 HB2 TYR 41 -2.829 -1.984 2.586 314 2HB TYR 41 HB1 TYR 41 -3.464 -0.495 3.285 315 HD1 TYR 41 HD1 TYR 41 -2.737 1.677 2.506 316 HD2 TYR 41 HD2 TYR 41 -0.980 -1.919 0.947 317 HE1 TYR 41 HE1 TYR 41 -1.676 2.986 0.686 318 HE2 TYR 41 HE2 TYR 41 0.080 -0.610 -0.873 319 HH TYR 41 HH TYR 41 0.756 2.216 -0.950 320 H LEU 42 HN LEU 42 -3.052 0.693 5.129 321 HA LEU 42 HA LEU 42 -1.549 3.044 4.846 322 1HB LEU 42 HB2 LEU 42 -3.430 2.024 6.990 323 2HB LEU 42 HB1 LEU 42 -2.861 3.691 6.954 324 HG LEU 42 HG LEU 42 -3.769 2.916 4.325 325 1HD1 LEU 42 HD21 LEU 42 -6.183 3.036 5.946 326 2HD1 LEU 42 HD22 LEU 42 -5.213 1.620 6.344 327 3HD1 LEU 42 HD23 LEU 42 -5.744 1.884 4.684 328 1HD2 LEU 42 HD11 LEU 42 -3.533 5.216 5.260 329 2HD2 LEU 42 HD12 LEU 42 -4.888 4.884 6.341 330 3HD2 LEU 42 HD13 LEU 42 -5.140 4.917 4.596 331 H GLU 43 HN GLU 43 -1.221 0.463 7.241 332 HA GLU 43 HA GLU 43 0.554 1.865 9.031 333 1HB GLU 43 HB2 GLU 43 -0.716 -0.692 8.719 334 2HB GLU 43 HB1 GLU 43 0.998 -0.966 9.031 335 1HG GLU 43 HG2 GLU 43 -0.516 1.035 10.688 336 2HG GLU 43 HG1 GLU 43 -0.651 -0.685 11.057 337 H TYR 44 HN TYR 44 1.417 -0.956 6.998 338 HA TYR 44 HA TYR 44 4.190 -0.582 7.001 339 1HB TYR 44 HB2 TYR 44 2.477 -1.554 4.675 340 2HB TYR 44 HB1 TYR 44 4.157 -1.982 4.991 341 HD1 TYR 44 HD1 TYR 44 0.774 -2.927 5.519 342 HD2 TYR 44 HD2 TYR 44 4.660 -3.028 7.348 343 HE1 TYR 44 HE1 TYR 44 0.037 -4.790 6.982 344 HE2 TYR 44 HE2 TYR 44 3.923 -4.890 8.810 345 HH TYR 44 HH TYR 44 2.069 -6.762 8.607 346 H LYS 45 HN LYS 45 1.898 0.634 4.529 347 HA LYS 45 HA LYS 45 3.625 2.038 2.859 348 1HB LYS 45 HB2 LYS 45 0.993 1.710 3.018 349 2HB LYS 45 HB1 LYS 45 1.056 3.296 3.787 350 1HG LYS 45 HG1 LYS 45 2.744 3.370 1.483 351 2HG LYS 45 HG2 LYS 45 1.196 2.678 0.998 352 1HD LYS 45 HD2 LYS 45 0.019 4.584 2.038 353 2HD LYS 45 HD1 LYS 45 1.568 5.279 2.517 354 1HE LYS 45 HE2 LYS 45 1.896 6.151 0.444 355 2HE LYS 45 HE1 LYS 45 1.500 4.607 -0.334 356 1HZ LYS 45 HZ1 LYS 45 -0.804 5.037 -0.111 357 2HZ LYS 45 HZ2 LYS 45 -0.133 6.468 -0.732 358 3HZ LYS 45 HZ3 LYS 45 -0.543 6.366 0.913 359 H SER 46 HN SER 46 2.188 3.240 5.920 360 HA SER 46 HA SER 46 3.311 5.855 5.853 361 1HB SER 46 HB2 SER 46 1.928 4.085 7.648 362 2HB SER 46 HB1 SER 46 3.222 4.892 8.527 363 HG SER 46 HG SER 46 0.937 5.927 7.353 364 H ALA 47 HN ALA 47 4.632 2.775 7.029 365 HA ALA 47 HA ALA 47 7.018 3.864 8.214 366 1HB ALA 47 HB1 ALA 47 7.104 1.150 7.035 367 2HB ALA 47 HB2 ALA 47 5.710 1.447 8.073 368 3HB ALA 47 HB3 ALA 47 7.342 1.650 8.709 369 H LEU 48 HN LEU 48 6.112 3.149 4.911 370 HA LEU 48 HA LEU 48 8.836 2.961 3.885 371 1HB LEU 48 HB2 LEU 48 6.391 3.743 2.284 372 2HB LEU 48 HB1 LEU 48 7.767 2.774 1.772 373 HG LEU 48 HG LEU 48 5.456 1.960 3.533 374 1HD1 LEU 48 HD21 LEU 48 4.878 1.304 1.424 375 2HD1 LEU 48 HD22 LEU 48 5.908 -0.072 1.818 376 3HD1 LEU 48 HD23 LEU 48 6.550 1.266 0.865 377 1HD2 LEU 48 HD11 LEU 48 6.780 -0.244 3.757 378 2HD2 LEU 48 HD12 LEU 48 7.282 1.092 4.787 379 3HD2 LEU 48 HD13 LEU 48 8.200 0.710 3.332 380 H LEU 49 HN LEU 49 6.305 5.492 3.728 381 HA LEU 49 HA LEU 49 7.836 7.492 2.431 382 1HB LEU 49 HB2 LEU 49 5.376 7.189 3.967 383 2HB LEU 49 HB1 LEU 49 6.138 8.744 4.298 384 HG LEU 49 HG LEU 49 4.578 8.865 2.366 385 1HD1 LEU 49 HD21 LEU 49 5.997 10.509 1.762 386 2HD1 LEU 49 HD22 LEU 49 6.835 9.335 0.746 387 3HD1 LEU 49 HD23 LEU 49 7.375 9.615 2.402 388 1HD2 LEU 49 HD11 LEU 49 5.022 7.654 0.332 389 2HD2 LEU 49 HD12 LEU 49 5.014 6.475 1.644 390 3HD2 LEU 49 HD13 LEU 49 6.545 7.033 0.969 391 H ASN 50 HN ASN 50 7.601 6.650 5.884 392 HA ASN 50 HA ASN 50 9.229 8.854 6.818 393 1HB ASN 50 HB2 ASN 50 7.609 7.611 8.202 394 2HB ASN 50 HB1 ASN 50 8.545 6.131 7.989 395 1HD2 ASN 50 HD21 ASN 50 10.769 6.110 8.963 396 2HD2 ASN 50 HD22 ASN 50 11.111 7.120 10.283 397 H GLU 51 HN GLU 51 9.949 5.351 6.454 398 HA GLU 51 HA GLU 51 12.705 5.473 7.081 399 1HB GLU 51 HB2 GLU 51 11.068 3.499 6.667 400 2HB GLU 51 HB1 GLU 51 11.487 3.686 4.964 401 1HG GLU 51 HG2 GLU 51 13.501 2.705 5.263 402 2HG GLU 51 HG1 GLU 51 13.849 3.695 6.680 403 H CYS 52 HN CYS 52 11.042 5.995 3.976 404 HA CYS 52 HA CYS 52 13.343 6.156 2.302 405 1HB CYS 52 HB1 CYS 52 10.955 5.990 1.592 406 2HB CYS 52 HB2 CYS 52 10.690 7.637 2.162 407 HG CYS 52 HG CYS 52 11.257 7.882 -0.346 408 H HIS 53 HN HIS 53 11.575 8.728 4.058 409 HA HIS 53 HA HIS 53 13.318 10.863 3.204 410 1HB HIS 53 HB2 HIS 53 11.268 10.402 5.369 411 2HB HIS 53 HB1 HIS 53 12.165 11.919 5.305 412 HD1 HIS 53 HD1 HIS 53 9.050 11.624 4.689 413 HD2 HIS 53 HD2 HIS 53 12.079 11.872 1.835 414 HE1 HIS 53 HE1 HIS 53 7.962 12.457 2.559 415 H LYS 54 HN LYS 54 13.547 8.443 5.706 416 HA LYS 54 HA LYS 54 15.423 9.883 7.397 417 1HB LYS 54 HB1 LYS 54 13.956 8.143 8.251 418 2HB LYS 54 HB2 LYS 54 14.571 6.985 7.073 419 1HG LYS 54 HG2 LYS 54 15.641 6.521 9.178 420 2HG LYS 54 HG1 LYS 54 16.849 7.252 8.124 421 1HD LYS 54 HD1 LYS 54 16.998 8.299 10.316 422 2HD LYS 54 HD2 LYS 54 16.337 9.472 9.176 423 1HE LYS 54 HE1 LYS 54 14.580 9.715 10.595 424 2HE LYS 54 HE2 LYS 54 14.108 8.054 10.191 425 1HZ LYS 54 HZ1 LYS 54 15.947 8.952 12.344 426 2HZ LYS 54 HZ2 LYS 54 15.842 7.334 11.838 427 3HZ LYS 54 HZ3 LYS 54 14.488 8.100 12.519 428 H GLN 55 HN GLN 55 15.755 7.179 5.060 429 HA GLN 55 HA GLN 55 18.699 7.376 5.188 430 1HB GLN 55 HB2 GLN 55 16.625 5.592 3.916 431 2HB GLN 55 HB1 GLN 55 18.314 5.472 3.422 432 1HG GLN 55 HG2 GLN 55 17.415 5.332 6.311 433 2HG GLN 55 HG1 GLN 55 17.641 3.905 5.300 434 1HE2 GLN 55 HE21 GLN 55 19.229 4.809 7.716 435 2HE2 GLN 55 HE22 GLN 55 20.835 4.909 7.175 436 H GLY 56 HN GLY 56 16.185 8.778 3.319 437 1HA GLY 56 HA2 GLY 56 16.296 10.180 1.435 438 2HA GLY 56 HA1 GLY 56 18.053 10.146 1.597 439 H GLY 57 HN GLY 57 15.677 7.546 1.012 440 1HA GLY 57 HA2 GLY 57 15.740 6.961 -1.594 441 2HA GLY 57 HA1 GLY 57 17.403 6.544 -1.177 442 H LEU 58 HN LEU 58 14.522 5.124 -1.680 443 HA LEU 58 HA LEU 58 15.007 3.041 0.429 444 1HB LEU 58 HB1 LEU 58 12.974 4.469 0.728 445 2HB LEU 58 HB2 LEU 58 12.403 3.943 -0.855 446 HG LEU 58 HG LEU 58 12.458 1.586 -0.052 447 1HD1 LEU 58 HD11 LEU 58 13.738 1.172 1.762 448 2HD1 LEU 58 HD12 LEU 58 12.452 1.896 2.727 449 3HD1 LEU 58 HD13 LEU 58 13.806 2.884 2.181 450 1HD2 LEU 58 HD21 LEU 58 10.651 2.121 1.875 451 2HD2 LEU 58 HD22 LEU 58 10.294 2.337 0.162 452 3HD2 LEU 58 HD23 LEU 58 10.764 3.722 1.146 453 H ARG 59 HN ARG 59 15.827 1.253 -0.592 454 HA ARG 59 HA ARG 59 15.477 0.727 -3.419 455 1HB ARG 59 HB1 ARG 59 17.410 0.082 -1.911 456 2HB ARG 59 HB2 ARG 59 16.354 -1.122 -1.172 457 1HG ARG 59 HG1 ARG 59 16.414 -2.495 -3.008 458 2HG ARG 59 HG2 ARG 59 16.497 -1.146 -4.141 459 1HD ARG 59 HD2 ARG 59 18.897 -0.783 -3.142 460 2HD ARG 59 HD1 ARG 59 18.733 -2.467 -2.611 461 HE ARG 59 HE ARG 59 17.904 -2.131 -5.372 462 1HH1 ARG 59 HH11 ARG 59 20.667 -2.449 -3.277 463 2HH1 ARG 59 HH12 ARG 59 21.669 -3.117 -4.518 464 1HH2 ARG 59 HH21 ARG 59 19.228 -3.002 -6.966 465 2HH2 ARG 59 HH22 ARG 59 20.864 -3.428 -6.590 466 H LEU 60 HN LEU 60 14.603 -1.537 -4.088 467 HA LEU 60 HA LEU 60 11.880 -1.800 -2.965 468 1HB LEU 60 HB2 LEU 60 12.427 -1.593 -5.422 469 2HB LEU 60 HB1 LEU 60 13.221 -3.162 -5.328 470 HG LEU 60 HG LEU 60 11.170 -4.271 -4.814 471 1HD1 LEU 60 HD11 LEU 60 10.284 -1.548 -4.054 472 2HD1 LEU 60 HD12 LEU 60 9.821 -3.110 -3.371 473 3HD1 LEU 60 HD13 LEU 60 9.064 -2.535 -4.860 474 1HD2 LEU 60 HD21 LEU 60 11.593 -3.070 -7.194 475 2HD2 LEU 60 HD22 LEU 60 10.048 -2.333 -6.766 476 3HD2 LEU 60 HD23 LEU 60 10.190 -4.089 -6.876 477 H ALA 61 HN ALA 61 14.635 -4.022 -3.716 478 HA ALA 61 HA ALA 61 13.603 -6.357 -2.497 479 1HB ALA 61 HB1 ALA 61 16.295 -6.402 -1.908 480 2HB ALA 61 HB2 ALA 61 16.234 -5.174 -3.172 481 3HB ALA 61 HB3 ALA 61 15.626 -6.799 -3.490 482 H GLN 62 HN GLN 62 15.442 -3.691 -0.992 483 HA GLN 62 HA GLN 62 15.549 -4.614 1.680 484 1HB GLN 62 HB1 GLN 62 15.032 -1.849 0.512 485 2HB GLN 62 HB2 GLN 62 15.557 -2.148 2.170 486 1HG GLN 62 HG2 GLN 62 17.128 -3.232 -0.167 487 2HG GLN 62 HG1 GLN 62 17.382 -1.587 0.413 488 1HE2 GLN 62 HE22 GLN 62 19.547 -2.130 1.218 489 2HE2 GLN 62 HE21 GLN 62 19.750 -3.081 2.609 490 H ALA 63 HN ALA 63 12.891 -3.417 -0.243 491 HA ALA 63 HA ALA 63 11.075 -2.841 1.885 492 1HB ALA 63 HB1 ALA 63 11.142 -2.171 -0.616 493 2HB ALA 63 HB2 ALA 63 9.573 -2.464 0.131 494 3HB ALA 63 HB3 ALA 63 10.308 -3.704 -0.878 495 H ARG 64 HN ARG 64 11.194 -5.621 -0.345 496 HA ARG 64 HA ARG 64 9.147 -7.164 0.824 497 1HB ARG 64 HB1 ARG 64 11.814 -8.007 -0.362 498 2HB ARG 64 HB2 ARG 64 10.399 -9.042 -0.228 499 1HG ARG 64 HG2 ARG 64 9.628 -8.212 -2.182 500 2HG ARG 64 HG1 ARG 64 9.551 -6.617 -1.439 501 1HD ARG 64 HD2 ARG 64 11.568 -5.950 -2.256 502 2HD ARG 64 HD1 ARG 64 12.203 -7.614 -2.331 503 HE ARG 64 HE ARG 64 11.208 -7.857 -4.462 504 1HH1 ARG 64 HH22 ARG 64 9.795 -5.190 -2.741 505 2HH1 ARG 64 HH21 ARG 64 8.832 -4.693 -4.083 506 1HH2 ARG 64 HH11 ARG 64 9.940 -7.200 -6.192 507 2HH2 ARG 64 HH12 ARG 64 8.903 -5.823 -6.024 508 H ALA 65 HN ALA 65 12.441 -6.609 1.938 509 HA ALA 65 HA ALA 65 12.208 -8.663 4.056 510 1HB ALA 65 HB1 ALA 65 14.525 -8.070 4.453 511 2HB ALA 65 HB2 ALA 65 14.344 -6.562 3.558 512 3HB ALA 65 HB3 ALA 65 14.291 -8.104 2.705 513 H LEU 66 HN LEU 66 11.403 -5.339 3.664 514 HA LEU 66 HA LEU 66 11.818 -4.653 6.502 515 1HB LEU 66 HB2 LEU 66 12.310 -3.054 4.707 516 2HB LEU 66 HB1 LEU 66 10.652 -3.166 4.122 517 HG LEU 66 HG LEU 66 9.936 -2.404 6.465 518 1HD1 LEU 66 HD11 LEU 66 12.558 -2.832 7.090 519 2HD1 LEU 66 HD12 LEU 66 11.491 -1.770 8.008 520 3HD1 LEU 66 HD13 LEU 66 12.569 -1.095 6.786 521 1HD2 LEU 66 HD21 LEU 66 11.462 -0.121 5.484 522 2HD2 LEU 66 HD22 LEU 66 9.715 -0.364 5.520 523 3HD2 LEU 66 HD23 LEU 66 10.665 -0.991 4.173 524 H ILE 67 HN ILE 67 8.925 -3.900 4.546 525 HA ILE 67 HA ILE 67 7.249 -4.453 6.911 526 HB ILE 67 HB ILE 67 5.511 -3.388 5.453 527 1HG1 ILE 67 HG12 ILE 67 7.676 -2.885 3.426 528 2HG1 ILE 67 HG11 ILE 67 6.713 -4.360 3.341 529 1HG2 ILE 67 HG21 ILE 67 6.330 -1.265 5.800 530 2HG2 ILE 67 HG22 ILE 67 7.917 -1.653 5.134 531 3HG2 ILE 67 HG23 ILE 67 7.496 -2.170 6.767 532 1HD1 ILE 67 HD11 ILE 67 4.686 -3.145 3.063 533 2HD1 ILE 67 HD12 ILE 67 5.845 -2.334 2.009 534 3HD1 ILE 67 HD13 ILE 67 5.432 -1.631 3.572 535 H LYS 68 HN LYS 68 4.892 -5.237 5.889 536 HA LYS 68 HA LYS 68 3.705 -7.207 5.363 537 1HB LYS 68 HB2 LYS 68 5.726 -6.750 3.172 538 2HB LYS 68 HB1 LYS 68 4.569 -8.075 3.061 539 1HG LYS 68 HG2 LYS 68 3.826 -5.164 3.504 540 2HG LYS 68 HG1 LYS 68 3.746 -5.995 1.950 541 1HD LYS 68 HD2 LYS 68 1.618 -6.508 2.558 542 2HD LYS 68 HD1 LYS 68 2.371 -7.725 3.588 543 1HE LYS 68 HE2 LYS 68 2.579 -5.482 5.165 544 2HE LYS 68 HE1 LYS 68 1.031 -5.205 4.343 545 1HZ LYS 68 HZ1 LYS 68 0.483 -6.586 6.134 546 2HZ LYS 68 HZ2 LYS 68 1.878 -7.540 5.958 547 3HZ LYS 68 HZ3 LYS 68 0.614 -7.668 4.831 548 H ILE 69 HN ILE 69 4.502 -9.621 4.221 549 HA ILE 69 HA ILE 69 6.588 -10.596 6.138 550 HB ILE 69 HB ILE 69 5.015 -12.697 6.145 551 1HG1 ILE 69 HG12 ILE 69 2.640 -12.169 5.804 552 2HG1 ILE 69 HG11 ILE 69 3.064 -10.536 5.288 553 1HG2 ILE 69 HG21 ILE 69 3.738 -10.342 7.451 554 2HG2 ILE 69 HG22 ILE 69 5.402 -10.733 7.885 555 3HG2 ILE 69 HG23 ILE 69 4.123 -11.925 8.125 556 1HD1 ILE 69 HD11 ILE 69 4.372 -12.814 3.889 557 2HD1 ILE 69 HD12 ILE 69 3.880 -11.240 3.261 558 3HD1 ILE 69 HD13 ILE 69 2.676 -12.500 3.531 559 H ASP 70 HN ASP 70 5.626 -10.469 2.866 560 HA ASP 70 HA ASP 70 7.603 -12.633 2.245 561 1HB ASP 70 HB2 ASP 70 4.845 -12.822 1.963 562 2HB ASP 70 HB1 ASP 70 5.381 -12.382 0.343 563 H VAL 71 HN VAL 71 7.050 -12.272 -0.648 564 HA VAL 71 HA VAL 71 8.503 -9.679 -0.988 565 HB VAL 71 HB VAL 71 9.643 -11.830 -1.552 566 1HG1 VAL 71 HG21 VAL 71 8.121 -12.287 -4.008 567 2HG1 VAL 71 HG22 VAL 71 7.147 -12.541 -2.562 568 3HG1 VAL 71 HG23 VAL 71 8.644 -13.444 -2.785 569 1HG2 VAL 71 HG11 VAL 71 9.018 -9.782 -3.657 570 2HG2 VAL 71 HG12 VAL 71 10.014 -11.175 -4.076 571 3HG2 VAL 71 HG13 VAL 71 10.532 -10.072 -2.801 572 H ASN 72 HN ASN 72 5.659 -11.477 -2.027 573 HA ASN 72 HA ASN 72 5.128 -9.699 -4.312 574 1HB ASN 72 HB1 ASN 72 4.380 -12.269 -3.395 575 2HB ASN 72 HB2 ASN 72 2.899 -11.311 -3.379 576 1HD2 ASN 72 HD22 ASN 72 2.398 -10.113 -5.482 577 2HD2 ASN 72 HD21 ASN 72 2.890 -10.823 -6.943 578 H LYS 73 HN LYS 73 4.329 -9.895 -0.923 579 HA LYS 73 HA LYS 73 1.988 -8.172 -1.004 580 1HB LYS 73 HB2 LYS 73 3.960 -8.976 1.174 581 2HB LYS 73 HB1 LYS 73 2.429 -8.160 1.475 582 1HG LYS 73 HG2 LYS 73 1.652 -10.294 1.702 583 2HG LYS 73 HG1 LYS 73 1.566 -10.227 -0.057 584 1HD LYS 73 HD2 LYS 73 4.242 -10.901 0.769 585 2HD LYS 73 HD1 LYS 73 3.097 -11.990 1.544 586 1HE LYS 73 HE2 LYS 73 3.405 -11.492 -1.433 587 2HE LYS 73 HE1 LYS 73 3.671 -13.007 -0.560 588 1HZ LYS 73 HZ1 LYS 73 1.210 -12.484 0.237 589 2HZ LYS 73 HZ2 LYS 73 1.523 -13.336 -1.196 590 3HZ LYS 73 HZ3 LYS 73 1.154 -11.682 -1.260 591 H THR 74 HN THR 74 5.356 -7.650 0.141 592 HA THR 74 HA THR 74 5.198 -4.818 0.415 593 HB THR 74 HB THR 74 7.562 -6.489 -0.518 594 HG1 THR 74 HG1 THR 74 7.142 -7.505 1.279 595 1HG2 THR 74 HG21 THR 74 7.207 -3.731 0.196 596 2HG2 THR 74 HG22 THR 74 8.685 -4.555 -0.294 597 3HG2 THR 74 HG23 THR 74 8.228 -4.503 1.408 598 H ARG 75 HN ARG 75 6.341 -6.807 -2.320 599 HA ARG 75 HA ARG 75 6.983 -4.991 -4.257 600 1HB ARG 75 HB1 ARG 75 7.027 -7.400 -4.569 601 2HB ARG 75 HB2 ARG 75 5.272 -7.492 -4.430 602 1HG ARG 75 HG1 ARG 75 6.171 -5.625 -6.510 603 2HG ARG 75 HG2 ARG 75 6.675 -7.289 -6.805 604 1HD ARG 75 HD2 ARG 75 4.430 -8.083 -6.804 605 2HD ARG 75 HD1 ARG 75 3.825 -6.601 -6.040 606 HE ARG 75 HE ARG 75 3.905 -5.536 -8.158 607 1HH1 ARG 75 HH21 ARG 75 5.717 -8.510 -8.183 608 2HH1 ARG 75 HH22 ARG 75 5.987 -8.458 -9.890 609 1HH2 ARG 75 HH11 ARG 75 4.271 -5.492 -10.371 610 2HH2 ARG 75 HH12 ARG 75 5.176 -6.764 -11.121 611 H LYS 76 HN LYS 76 3.596 -5.980 -3.541 612 HA LYS 76 HA LYS 76 2.420 -4.292 -5.506 613 1HB LYS 76 HB1 LYS 76 1.675 -5.950 -3.229 614 2HB LYS 76 HB2 LYS 76 0.567 -4.614 -3.492 615 1HG LYS 76 HG2 LYS 76 1.381 -5.854 -6.002 616 2HG LYS 76 HG1 LYS 76 0.637 -7.007 -4.921 617 1HD LYS 76 HD2 LYS 76 -1.411 -6.136 -5.303 618 2HD LYS 76 HD1 LYS 76 -0.838 -4.521 -4.888 619 1HE LYS 76 HE2 LYS 76 -0.167 -5.745 -7.568 620 2HE LYS 76 HE1 LYS 76 -1.704 -4.897 -7.313 621 1HZ LYS 76 HZ1 LYS 76 -0.647 -2.924 -6.873 622 2HZ LYS 76 HZ2 LYS 76 0.435 -3.579 -8.005 623 3HZ LYS 76 HZ3 LYS 76 0.789 -3.662 -6.347 624 H ILE 77 HN ILE 77 2.615 -3.779 -1.946 625 HA ILE 77 HA ILE 77 1.609 -1.113 -1.945 626 HB ILE 77 HB ILE 77 3.580 -2.592 -0.157 627 1HG1 ILE 77 HG11 ILE 77 1.145 -2.179 1.155 628 2HG1 ILE 77 HG12 ILE 77 0.687 -2.608 -0.489 629 1HG2 ILE 77 HG21 ILE 77 3.913 -0.665 0.958 630 2HG2 ILE 77 HG22 ILE 77 2.182 -0.578 1.280 631 3HG2 ILE 77 HG23 ILE 77 2.851 0.190 -0.159 632 1HD1 ILE 77 HD11 ILE 77 1.291 -4.759 -0.174 633 2HD1 ILE 77 HD12 ILE 77 1.470 -4.375 1.539 634 3HD1 ILE 77 HD13 ILE 77 2.865 -4.283 0.464 635 H TYR 78 HN TYR 78 5.013 -2.151 -1.683 636 HA TYR 78 HA TYR 78 6.230 0.361 -1.919 637 1HB TYR 78 HB2 TYR 78 6.895 -2.480 -2.199 638 2HB TYR 78 HB1 TYR 78 7.936 -1.439 -3.168 639 HD1 TYR 78 HD1 TYR 78 9.689 -0.244 -2.151 640 HD2 TYR 78 HD2 TYR 78 6.493 -1.797 0.259 641 HE1 TYR 78 HE1 TYR 78 10.906 0.432 -0.100 642 HE2 TYR 78 HE2 TYR 78 7.712 -1.125 2.309 643 HH TYR 78 HH TYR 78 10.968 -0.238 2.304 644 H ASP 79 HN ASP 79 5.430 -1.926 -4.597 645 HA ASP 79 HA ASP 79 6.585 -0.483 -6.718 646 1HB ASP 79 HB2 ASP 79 4.154 -2.232 -6.393 647 2HB ASP 79 HB1 ASP 79 4.439 -1.451 -7.944 648 H PHE 80 HN PHE 80 3.386 0.008 -5.197 649 HA PHE 80 HA PHE 80 2.476 2.084 -6.921 650 1HB PHE 80 HB2 PHE 80 1.311 0.732 -5.029 651 2HB PHE 80 HB1 PHE 80 1.973 1.953 -3.941 652 HD1 PHE 80 HD1 PHE 80 0.975 4.100 -3.757 653 HD2 PHE 80 HD2 PHE 80 -0.125 1.495 -6.991 654 HE1 PHE 80 HE1 PHE 80 -0.853 5.653 -4.388 655 HE2 PHE 80 HE2 PHE 80 -1.953 3.048 -7.621 656 HZ PHE 80 HZ PHE 80 -2.315 5.127 -6.320 657 H LEU 81 HN LEU 81 4.023 2.432 -3.689 658 HA LEU 81 HA LEU 81 4.358 5.249 -3.777 659 1HB LEU 81 HB2 LEU 81 6.098 3.094 -2.517 660 2HB LEU 81 HB1 LEU 81 6.066 4.790 -2.034 661 HG LEU 81 HG LEU 81 3.403 3.554 -2.121 662 1HD1 LEU 81 HD21 LEU 81 3.769 2.276 0.000 663 2HD1 LEU 81 HD22 LEU 81 5.503 2.534 -0.182 664 3HD1 LEU 81 HD23 LEU 81 4.624 1.577 -1.374 665 1HD2 LEU 81 HD11 LEU 81 4.978 5.494 -0.576 666 2HD2 LEU 81 HD12 LEU 81 3.905 4.513 0.422 667 3HD2 LEU 81 HD13 LEU 81 3.246 5.465 -0.908 668 H ILE 82 HN ILE 82 6.557 2.668 -4.861 669 HA ILE 82 HA ILE 82 8.759 4.320 -5.629 670 HB ILE 82 HB ILE 82 7.706 1.635 -6.597 671 1HG1 ILE 82 HG11 ILE 82 8.276 1.904 -4.146 672 2HG1 ILE 82 HG12 ILE 82 9.198 0.660 -4.985 673 1HG2 ILE 82 HG21 ILE 82 9.348 1.621 -8.132 674 2HG2 ILE 82 HG22 ILE 82 10.538 1.820 -6.847 675 3HG2 ILE 82 HG23 ILE 82 9.846 3.238 -7.634 676 1HD1 ILE 82 HD11 ILE 82 10.296 3.451 -4.829 677 2HD1 ILE 82 HD12 ILE 82 11.157 1.920 -4.972 678 3HD1 ILE 82 HD13 ILE 82 10.438 2.385 -3.431 679 H ARG 83 HN ARG 83 6.584 2.594 -7.864 680 HA ARG 83 HA ARG 83 7.234 4.007 -10.194 681 1HB ARG 83 HB1 ARG 83 4.869 2.482 -9.159 682 2HB ARG 83 HB2 ARG 83 4.735 3.278 -10.716 683 1HG ARG 83 HG2 ARG 83 5.510 0.891 -10.846 684 2HG ARG 83 HG1 ARG 83 6.616 2.047 -11.563 685 1HD ARG 83 HD1 ARG 83 7.981 2.012 -9.463 686 2HD ARG 83 HD2 ARG 83 6.908 0.749 -8.821 687 HE ARG 83 HE ARG 83 7.906 -0.773 -10.337 688 1HH1 ARG 83 HH12 ARG 83 8.585 2.515 -11.256 689 2HH1 ARG 83 HH11 ARG 83 9.675 2.055 -12.516 690 1HH2 ARG 83 HH21 ARG 83 9.326 -1.346 -11.981 691 2HH2 ARG 83 HH22 ARG 83 10.093 -0.114 -12.926 692 H GLU 84 HN GLU 84 5.061 4.953 -7.573 693 HA GLU 84 HA GLU 84 3.996 7.242 -9.121 694 1HB GLU 84 HB1 GLU 84 3.624 6.282 -6.259 695 2HB GLU 84 HB2 GLU 84 2.709 7.590 -7.005 696 1HG GLU 84 HG2 GLU 84 2.794 4.944 -8.404 697 2HG GLU 84 HG1 GLU 84 1.759 5.110 -6.987 698 H GLY 85 HN GLY 85 3.910 9.315 -7.463 699 1HA GLY 85 HA1 GLY 85 6.753 10.030 -7.081 700 2HA GLY 85 HA2 GLY 85 5.394 11.152 -7.045 701 H TYR 86 HN TYR 86 6.650 8.345 -5.199 702 HA TYR 86 HA TYR 86 5.893 9.825 -2.701 703 1HB TYR 86 HB1 TYR 86 5.234 7.108 -3.722 704 2HB TYR 86 HB2 TYR 86 5.653 7.200 -2.011 705 HD1 TYR 86 HD1 TYR 86 2.992 7.400 -4.273 706 HD2 TYR 86 HD2 TYR 86 4.554 9.338 -0.772 707 HE1 TYR 86 HE1 TYR 86 0.738 8.306 -3.768 708 HE2 TYR 86 HE2 TYR 86 2.301 10.243 -0.267 709 HH TYR 86 HH TYR 86 -0.246 9.332 -0.975 710 H ILE 87 HN ILE 87 7.519 6.699 -3.257 711 HA ILE 87 HA ILE 87 9.853 7.755 -1.708 712 HB ILE 87 HB ILE 87 10.229 5.391 -1.156 713 1HG1 ILE 87 HG11 ILE 87 7.850 4.823 -2.952 714 2HG1 ILE 87 HG12 ILE 87 9.529 4.468 -3.358 715 1HG2 ILE 87 HG21 ILE 87 8.690 5.642 0.465 716 2HG2 ILE 87 HG22 ILE 87 7.411 5.196 -0.665 717 3HG2 ILE 87 HG23 ILE 87 7.893 6.885 -0.499 718 1HD1 ILE 87 HD11 ILE 87 8.306 3.430 -0.806 719 2HD1 ILE 87 HD12 ILE 87 9.710 2.820 -1.681 720 3HD1 ILE 87 HD13 ILE 87 8.089 2.564 -2.326 721 H THR 88 HN THR 88 11.944 6.358 -2.422 722 HA THR 88 HA THR 88 12.026 6.293 -5.416 723 HB THR 88 HB THR 88 14.205 7.489 -5.224 724 HG1 THR 88 HG1 THR 88 13.526 7.830 -2.503 725 1HG2 THR 88 HG21 THR 88 12.156 8.808 -5.538 726 2HG2 THR 88 HG22 THR 88 13.282 9.674 -4.494 727 3HG2 THR 88 HG23 THR 88 11.895 8.840 -3.794 728 H LYS 89 HN LYS 89 13.123 4.548 -6.239 729 HA LYS 89 HA LYS 89 13.841 2.301 -4.692 730 1HB LYS 89 HB2 LYS 89 13.568 2.910 -7.321 731 2HB LYS 89 HB1 LYS 89 15.328 2.855 -7.217 732 1HG LYS 89 HG1 LYS 89 15.199 0.602 -6.215 733 2HG LYS 89 HG2 LYS 89 13.440 0.657 -6.314 734 1HD LYS 89 HD1 LYS 89 14.007 1.231 -8.876 735 2HD LYS 89 HD2 LYS 89 15.453 0.300 -8.485 736 1HE LYS 89 HE2 LYS 89 12.714 -0.748 -7.755 737 2HE LYS 89 HE1 LYS 89 13.393 -1.016 -9.372 738 1HZ LYS 89 HZ1 LYS 89 15.439 -1.826 -8.266 739 2HZ LYS 89 HZ2 LYS 89 14.088 -2.802 -7.940 740 3HZ LYS 89 HZ3 LYS 89 14.650 -1.712 -6.766 741 H ALA 90 HN ALA 90 16.163 4.491 -6.337 742 HA ALA 90 HA ALA 90 18.392 5.036 -5.773 743 1HB ALA 90 HB1 ALA 90 17.800 4.583 -2.895 744 2HB ALA 90 HB2 ALA 90 16.685 5.660 -3.736 745 3HB ALA 90 HB3 ALA 90 18.409 6.030 -3.697 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 18.834 17.070 7.305 2 2H GLY 1 HT2 GLY 1 17.934 15.789 6.647 3 3H GLY 1 HT3 GLY 1 17.137 17.096 7.382 4 1HA GLY 1 HA1 GLY 1 17.519 18.521 5.640 5 2HA GLY 1 HA2 GLY 1 18.904 17.582 5.082 6 H SER 2 HN SER 2 18.439 16.604 3.175 7 HA SER 2 HA SER 2 15.847 15.152 2.915 8 1HB SER 2 HB2 SER 2 16.409 17.676 1.808 9 2HB SER 2 HB1 SER 2 16.618 16.546 0.470 10 HG SER 2 HG SER 2 14.546 15.680 1.046 11 H ASN 3 HN ASN 3 16.554 13.086 2.521 12 HA ASN 3 HA ASN 3 18.478 12.666 0.289 13 1HB ASN 3 HB2 ASN 3 19.761 11.107 1.788 14 2HB ASN 3 HB1 ASN 3 19.812 12.780 2.344 15 1HD2 ASN 3 HD21 ASN 3 18.167 13.357 4.097 16 2HD2 ASN 3 HD22 ASN 3 17.715 12.148 5.200 17 H SER 4 HN SER 4 16.838 11.644 -0.940 18 HA SER 4 HA SER 4 15.394 9.349 0.298 19 1HB SER 4 HB2 SER 4 13.907 9.619 -1.599 20 2HB SER 4 HB1 SER 4 14.261 11.232 -0.981 21 HG SER 4 HG SER 4 15.799 11.473 -2.603 22 H GLY 5 HN GLY 5 15.114 7.429 -1.293 23 1HA GLY 5 HA2 GLY 5 16.348 6.480 -3.383 24 2HA GLY 5 HA1 GLY 5 17.798 6.785 -2.426 25 H ARG 6 HN ARG 6 18.055 5.561 -0.417 26 HA ARG 6 HA ARG 6 16.239 3.231 -0.060 27 1HB ARG 6 HB1 ARG 6 18.978 3.275 -1.188 28 2HB ARG 6 HB2 ARG 6 18.723 2.060 0.064 29 1HG ARG 6 HG2 ARG 6 17.500 0.782 -1.335 30 2HG ARG 6 HG1 ARG 6 16.467 2.147 -1.758 31 1HD ARG 6 HD1 ARG 6 17.602 2.534 -3.703 32 2HD ARG 6 HD2 ARG 6 19.178 2.276 -2.932 33 HE ARG 6 HE ARG 6 17.619 0.251 -4.307 34 1HH1 ARG 6 HH22 ARG 6 19.752 0.816 -1.614 35 2HH1 ARG 6 HH21 ARG 6 20.316 -0.818 -1.576 36 1HH2 ARG 6 HH11 ARG 6 18.367 -1.865 -4.237 37 2HH2 ARG 6 HH12 ARG 6 19.539 -2.327 -3.048 38 H ARG 7 HN ARG 7 19.547 3.980 1.071 39 HA ARG 7 HA ARG 7 20.387 4.181 3.271 40 1HB ARG 7 HB1 ARG 7 18.014 5.811 2.883 41 2HB ARG 7 HB2 ARG 7 18.142 5.311 4.569 42 1HG ARG 7 HG2 ARG 7 19.418 7.297 4.478 43 2HG ARG 7 HG1 ARG 7 20.629 6.020 4.371 44 1HD ARG 7 HD1 ARG 7 19.955 6.375 1.721 45 2HD ARG 7 HD2 ARG 7 19.853 8.027 2.359 46 HE ARG 7 HE ARG 7 22.285 6.432 2.135 47 1HH1 ARG 7 HH21 ARG 7 20.647 8.909 3.952 48 2HH1 ARG 7 HH22 ARG 7 22.117 9.606 4.537 49 1HH2 ARG 7 HH11 ARG 7 24.180 7.355 2.906 50 2HH2 ARG 7 HH12 ARG 7 24.104 8.735 3.950 51 H SER 8 HN SER 8 18.692 1.760 2.505 52 HA SER 8 HA SER 8 18.646 0.498 5.103 53 1HB SER 8 HB1 SER 8 16.699 1.787 5.539 54 2HB SER 8 HB2 SER 8 16.111 1.611 3.886 55 HG SER 8 HG SER 8 15.315 -0.287 4.348 56 H ALA 9 HN ALA 9 17.302 -1.692 4.856 57 HA ALA 9 HA ALA 9 17.508 -2.659 2.034 58 1HB ALA 9 HB1 ALA 9 19.509 -3.106 3.622 59 2HB ALA 9 HB2 ALA 9 18.856 -4.477 2.725 60 3HB ALA 9 HB3 ALA 9 18.435 -4.253 4.423 61 HA PRO 10 HA PRO 10 13.457 -4.071 3.381 62 1HB PRO 10 HB2 PRO 10 13.271 -5.234 0.688 63 2HB PRO 10 HB1 PRO 10 12.275 -3.967 1.417 64 1HG PRO 10 HG1 PRO 10 14.059 -3.511 -0.564 65 2HG PRO 10 HG2 PRO 10 13.640 -2.307 0.654 66 1HD PRO 10 HD2 PRO 10 16.062 -3.985 0.435 67 2HD PRO 10 HD1 PRO 10 15.883 -2.326 1.015 68 HA PRO 11 HA PRO 11 14.782 -8.279 4.000 69 1HB PRO 11 HB1 PRO 11 13.035 -8.967 5.920 70 2HB PRO 11 HB2 PRO 11 14.303 -7.763 6.231 71 1HG PRO 11 HG2 PRO 11 11.428 -7.372 5.587 72 2HG PRO 11 HG1 PRO 11 12.420 -6.531 6.782 73 1HD PRO 11 HD1 PRO 11 11.791 -5.558 4.270 74 2HD PRO 11 HD2 PRO 11 13.195 -5.039 5.225 75 H LEU 12 HN LEU 12 12.256 -7.381 2.172 76 HA LEU 12 HA LEU 12 11.291 -10.202 1.854 77 1HB LEU 12 HB1 LEU 12 9.852 -7.648 2.352 78 2HB LEU 12 HB2 LEU 12 9.151 -8.661 1.095 79 HG LEU 12 HG LEU 12 8.151 -9.229 3.247 80 1HD1 LEU 12 HD11 LEU 12 8.288 -11.518 2.995 81 2HD1 LEU 12 HD12 LEU 12 10.045 -11.503 2.852 82 3HD1 LEU 12 HD13 LEU 12 9.045 -11.023 1.482 83 1HD2 LEU 12 HD21 LEU 12 10.580 -8.561 4.308 84 2HD2 LEU 12 HD22 LEU 12 10.634 -10.321 4.404 85 3HD2 LEU 12 HD23 LEU 12 9.322 -9.436 5.181 86 H ASN 13 HN ASN 13 9.700 -9.831 -0.374 87 HA ASN 13 HA ASN 13 11.641 -9.564 -2.510 88 1HB ASN 13 HB1 ASN 13 8.722 -10.109 -2.149 89 2HB ASN 13 HB2 ASN 13 9.246 -9.596 -3.753 90 1HD2 ASN 13 HD21 ASN 13 10.953 -10.953 -4.818 91 2HD2 ASN 13 HD22 ASN 13 11.119 -12.584 -4.377 92 H LEU 14 HN LEU 14 12.055 -7.207 -1.454 93 HA LEU 14 HA LEU 14 10.684 -5.275 -3.264 94 1HB LEU 14 HB1 LEU 14 9.911 -5.631 -0.668 95 2HB LEU 14 HB2 LEU 14 11.173 -4.417 -0.459 96 HG LEU 14 HG LEU 14 9.864 -3.353 -2.578 97 1HD1 LEU 14 HD11 LEU 14 7.962 -5.161 -1.133 98 2HD1 LEU 14 HD12 LEU 14 8.052 -4.779 -2.853 99 3HD1 LEU 14 HD13 LEU 14 7.368 -3.609 -1.723 100 1HD2 LEU 14 HD21 LEU 14 9.038 -3.055 0.327 101 2HD2 LEU 14 HD22 LEU 14 8.755 -1.875 -0.953 102 3HD2 LEU 14 HD23 LEU 14 10.402 -2.234 -0.433 103 H THR 15 HN THR 15 13.493 -6.576 -2.669 104 HA THR 15 HA THR 15 15.007 -3.992 -2.531 105 HB THR 15 HB THR 15 15.296 -5.450 -0.570 106 HG1 THR 15 HG1 THR 15 17.508 -5.593 -2.341 107 1HG2 THR 15 HG21 THR 15 16.331 -7.723 -0.931 108 2HG2 THR 15 HG22 THR 15 16.002 -7.533 -2.653 109 3HG2 THR 15 HG23 THR 15 14.668 -7.584 -1.500 110 H GLY 16 HN GLY 16 16.550 -3.651 -4.139 111 1HA GLY 16 HA2 GLY 16 17.810 -4.051 -6.087 112 2HA GLY 16 HA1 GLY 16 17.566 -5.777 -5.823 113 H LEU 17 HN LEU 17 14.772 -3.712 -5.923 114 HA LEU 17 HA LEU 17 14.215 -4.593 -8.735 115 1HB LEU 17 HB1 LEU 17 12.280 -4.546 -6.392 116 2HB LEU 17 HB2 LEU 17 11.954 -5.173 -8.003 117 HG LEU 17 HG LEU 17 14.131 -6.269 -6.208 118 1HD1 LEU 17 HD21 LEU 17 12.660 -7.824 -5.339 119 2HD1 LEU 17 HD22 LEU 17 11.598 -7.758 -6.746 120 3HD1 LEU 17 HD23 LEU 17 11.548 -6.470 -5.543 121 1HD2 LEU 17 HD11 LEU 17 14.463 -6.694 -8.590 122 2HD2 LEU 17 HD12 LEU 17 12.801 -7.263 -8.747 123 3HD2 LEU 17 HD13 LEU 17 13.964 -8.189 -7.798 124 HA PRO 18 HA PRO 18 12.700 -0.477 -9.163 125 1HB PRO 18 HB1 PRO 18 10.741 -0.773 -11.049 126 2HB PRO 18 HB2 PRO 18 12.456 -1.033 -11.410 127 1HG PRO 18 HG2 PRO 18 10.281 -2.984 -11.111 128 2HG PRO 18 HG1 PRO 18 11.821 -3.135 -11.965 129 1HD PRO 18 HD1 PRO 18 11.125 -4.142 -9.383 130 2HD PRO 18 HD2 PRO 18 12.687 -4.272 -10.214 131 H GLY 19 HN GLY 19 11.166 0.982 -8.328 132 1HA GLY 19 HA1 GLY 19 8.862 1.563 -7.728 133 2HA GLY 19 HA2 GLY 19 8.553 -0.148 -7.440 134 H THR 20 HN THR 20 10.749 -0.819 -5.846 135 HA THR 20 HA THR 20 9.964 -0.220 -3.245 136 HB THR 20 HB THR 20 12.784 -0.638 -4.305 137 HG1 THR 20 HG1 THR 20 12.076 -2.532 -4.793 138 1HG2 THR 20 HG21 THR 20 11.807 -1.695 -1.685 139 2HG2 THR 20 HG22 THR 20 12.198 0.022 -1.783 140 3HG2 THR 20 HG23 THR 20 13.429 -1.185 -2.153 141 H GLU 21 HN GLU 21 12.177 1.660 -5.303 142 HA GLU 21 HA GLU 21 12.880 3.560 -3.216 143 1HB GLU 21 HB1 GLU 21 14.333 3.088 -5.123 144 2HB GLU 21 HB2 GLU 21 13.064 3.570 -6.247 145 1HG GLU 21 HG1 GLU 21 13.113 5.862 -5.203 146 2HG GLU 21 HG2 GLU 21 14.521 5.348 -4.272 147 H LYS 22 HN LYS 22 10.346 3.317 -5.652 148 HA LYS 22 HA LYS 22 9.481 6.080 -5.515 149 1HB LYS 22 HB2 LYS 22 8.376 3.442 -6.480 150 2HB LYS 22 HB1 LYS 22 7.358 4.882 -6.490 151 1HG LYS 22 HG1 LYS 22 9.452 5.979 -7.667 152 2HG LYS 22 HG2 LYS 22 9.846 4.307 -8.066 153 1HD LYS 22 HD2 LYS 22 7.024 4.910 -8.523 154 2HD LYS 22 HD1 LYS 22 8.086 5.954 -9.468 155 1HE LYS 22 HE2 LYS 22 9.299 3.505 -9.789 156 2HE LYS 22 HE1 LYS 22 7.583 3.061 -9.743 157 1HZ LYS 22 HZ1 LYS 22 7.187 4.950 -11.300 158 2HZ LYS 22 HZ2 LYS 22 8.109 3.693 -11.973 159 3HZ LYS 22 HZ3 LYS 22 8.869 5.121 -11.459 160 H LEU 23 HN LEU 23 8.978 3.260 -3.531 161 HA LEU 23 HA LEU 23 6.517 4.142 -2.260 162 1HB LEU 23 HB2 LEU 23 8.702 2.218 -1.370 163 2HB LEU 23 HB1 LEU 23 7.058 2.272 -0.735 164 HG LEU 23 HG LEU 23 7.724 1.778 -3.650 165 1HD1 LEU 23 HD21 LEU 23 6.694 -0.340 -1.793 166 2HD1 LEU 23 HD22 LEU 23 8.422 0.014 -1.809 167 3HD1 LEU 23 HD23 LEU 23 7.617 -0.518 -3.286 168 1HD2 LEU 23 HD11 LEU 23 5.237 0.725 -3.069 169 2HD2 LEU 23 HD12 LEU 23 5.527 2.286 -3.837 170 3HD2 LEU 23 HD13 LEU 23 5.273 2.195 -2.094 171 H ASN 24 HN ASN 24 6.341 5.657 -0.645 172 HA ASN 24 HA ASN 24 8.387 7.374 0.200 173 1HB ASN 24 HB1 ASN 24 5.786 7.359 0.506 174 2HB ASN 24 HB2 ASN 24 6.130 6.505 2.010 175 1HD2 ASN 24 HD21 ASN 24 5.305 8.467 3.175 176 2HD2 ASN 24 HD22 ASN 24 6.308 9.826 3.339 177 H GLU 25 HN GLU 25 9.499 7.502 2.319 178 HA GLU 25 HA GLU 25 10.998 5.242 3.043 179 1HB GLU 25 HB1 GLU 25 10.232 7.866 4.247 180 2HB GLU 25 HB2 GLU 25 10.964 6.687 5.336 181 1HG GLU 25 HG2 GLU 25 12.722 6.406 3.404 182 2HG GLU 25 HG1 GLU 25 12.133 7.987 2.889 183 H LYS 26 HN LYS 26 7.783 6.214 4.113 184 HA LYS 26 HA LYS 26 7.690 4.159 6.229 185 1HB LYS 26 HB2 LYS 26 6.394 6.600 5.560 186 2HB LYS 26 HB1 LYS 26 5.153 5.349 5.511 187 1HG LYS 26 HG2 LYS 26 6.713 4.782 7.791 188 2HG LYS 26 HG1 LYS 26 6.456 6.527 7.812 189 1HD LYS 26 HD2 LYS 26 3.968 5.602 7.098 190 2HD LYS 26 HD1 LYS 26 4.521 4.337 8.195 191 1HE LYS 26 HE2 LYS 26 5.164 6.213 9.819 192 2HE LYS 26 HE1 LYS 26 4.234 7.299 8.768 193 1HZ LYS 26 HZ1 LYS 26 2.876 6.274 10.553 194 2HZ LYS 26 HZ2 LYS 26 3.205 4.744 9.893 195 3HZ LYS 26 HZ3 LYS 26 2.322 5.884 8.995 196 H GLU 27 HN GLU 27 6.337 4.732 2.986 197 HA GLU 27 HA GLU 27 4.603 2.448 2.901 198 1HB GLU 27 HB2 GLU 27 6.086 4.086 0.818 199 2HB GLU 27 HB1 GLU 27 4.905 2.848 0.392 200 1HG GLU 27 HG2 GLU 27 3.251 4.058 1.886 201 2HG GLU 27 HG1 GLU 27 4.428 5.365 2.008 202 H LYS 28 HN LYS 28 8.060 2.871 2.264 203 HA LYS 28 HA LYS 28 8.633 0.442 0.924 204 1HB LYS 28 HB2 LYS 28 10.113 2.170 2.927 205 2HB LYS 28 HB1 LYS 28 10.878 0.780 2.159 206 1HG LYS 28 HG2 LYS 28 10.352 1.756 -0.071 207 2HG LYS 28 HG1 LYS 28 9.667 3.169 0.733 208 1HD LYS 28 HD2 LYS 28 11.982 3.631 0.068 209 2HD LYS 28 HD1 LYS 28 11.865 3.578 1.827 210 1HE LYS 28 HE2 LYS 28 13.008 1.547 1.971 211 2HE LYS 28 HE1 LYS 28 12.528 1.050 0.338 212 1HZ LYS 28 HZ1 LYS 28 13.980 2.618 -0.624 213 2HZ LYS 28 HZ2 LYS 28 14.895 1.874 0.599 214 3HZ LYS 28 HZ3 LYS 28 14.238 3.420 0.851 215 H GLU 29 HN GLU 29 8.787 1.092 4.451 216 HA GLU 29 HA GLU 29 9.245 -1.599 5.262 217 1HB GLU 29 HB1 GLU 29 9.525 0.496 6.609 218 2HB GLU 29 HB2 GLU 29 7.769 0.647 6.687 219 1HG GLU 29 HG2 GLU 29 7.846 -1.787 7.627 220 2HG GLU 29 HG1 GLU 29 9.543 -1.434 7.950 221 H LEU 30 HN LEU 30 6.218 0.181 4.656 222 HA LEU 30 HA LEU 30 4.334 -1.612 5.737 223 1HB LEU 30 HB2 LEU 30 3.790 0.576 4.786 224 2HB LEU 30 HB1 LEU 30 4.302 0.043 3.187 225 HG LEU 30 HG LEU 30 2.516 -1.792 3.402 226 1HD1 LEU 30 HD11 LEU 30 0.637 -0.611 4.981 227 2HD1 LEU 30 HD12 LEU 30 2.104 -0.223 5.880 228 3HD1 LEU 30 HD13 LEU 30 1.702 -1.905 5.533 229 1HD2 LEU 30 HD21 LEU 30 1.614 1.105 3.340 230 2HD2 LEU 30 HD22 LEU 30 0.740 -0.267 2.660 231 3HD2 LEU 30 HD23 LEU 30 2.287 0.223 1.968 232 H CYS 31 HN CYS 31 5.994 -1.736 2.579 233 HA CYS 31 HA CYS 31 4.620 -4.136 1.678 234 1HB CYS 31 HB1 CYS 31 7.128 -2.616 0.907 235 2HB CYS 31 HB2 CYS 31 6.631 -4.077 0.053 236 HG CYS 31 HG CYS 31 4.988 -1.421 0.102 237 H GLN 32 HN GLN 32 7.658 -3.457 3.389 238 HA GLN 32 HA GLN 32 8.791 -6.078 3.287 239 1HB GLN 32 HB2 GLN 32 8.921 -3.874 5.379 240 2HB GLN 32 HB1 GLN 32 10.051 -5.224 5.273 241 1HG GLN 32 HG1 GLN 32 10.702 -4.505 3.004 242 2HG GLN 32 HG2 GLN 32 9.563 -3.163 3.100 243 1HE2 GLN 32 HE22 GLN 32 11.256 -1.526 3.002 244 2HE2 GLN 32 HE21 GLN 32 12.325 -1.275 4.296 245 H VAL 33 HN VAL 33 6.242 -4.688 5.263 246 HA VAL 33 HA VAL 33 6.186 -6.890 7.205 247 HB VAL 33 HB VAL 33 4.191 -4.695 6.513 248 1HG1 VAL 33 HG11 VAL 33 3.104 -5.187 8.536 249 2HG1 VAL 33 HG12 VAL 33 4.496 -6.058 9.181 250 3HG1 VAL 33 HG13 VAL 33 3.506 -6.789 7.918 251 1HG2 VAL 33 HG21 VAL 33 5.648 -3.264 7.458 252 2HG2 VAL 33 HG22 VAL 33 6.789 -4.580 7.732 253 3HG2 VAL 33 HG23 VAL 33 5.571 -4.200 8.950 254 H VAL 34 HN VAL 34 3.995 -5.697 4.645 255 HA VAL 34 HA VAL 34 2.696 -8.357 4.478 256 HB VAL 34 HB VAL 34 1.339 -6.295 4.454 257 1HG1 VAL 34 HG11 VAL 34 3.471 -5.365 2.805 258 2HG1 VAL 34 HG12 VAL 34 2.084 -4.454 3.404 259 3HG1 VAL 34 HG13 VAL 34 1.989 -5.288 1.853 260 1HG2 VAL 34 HG21 VAL 34 0.240 -6.641 2.165 261 2HG2 VAL 34 HG22 VAL 34 0.368 -8.071 3.190 262 3HG2 VAL 34 HG23 VAL 34 1.500 -7.837 1.857 263 H ARG 35 HN ARG 35 4.784 -9.305 3.732 264 HA ARG 35 HA ARG 35 6.495 -8.900 1.736 265 1HB ARG 35 HB2 ARG 35 6.266 -10.980 2.997 266 2HB ARG 35 HB1 ARG 35 4.762 -11.362 2.160 267 1HG ARG 35 HG2 ARG 35 6.915 -10.813 0.293 268 2HG ARG 35 HG1 ARG 35 7.332 -12.136 1.380 269 1HD ARG 35 HD1 ARG 35 5.847 -13.534 0.372 270 2HD ARG 35 HD2 ARG 35 4.565 -12.310 0.421 271 HE ARG 35 HE ARG 35 5.205 -11.630 -1.759 272 1HH1 ARG 35 HH11 ARG 35 7.674 -13.596 -0.288 273 2HH1 ARG 35 HH12 ARG 35 8.618 -13.686 -1.734 274 1HH2 ARG 35 HH21 ARG 35 6.448 -11.761 -3.622 275 2HH2 ARG 35 HH22 ARG 35 7.932 -12.654 -3.609 276 H LEU 36 HN LEU 36 5.848 -7.565 0.004 277 HA LEU 36 HA LEU 36 4.447 -8.955 -2.197 278 1HB LEU 36 HB2 LEU 36 3.230 -6.974 -0.449 279 2HB LEU 36 HB1 LEU 36 3.272 -6.387 -2.109 280 HG LEU 36 HG LEU 36 2.508 -9.076 -2.326 281 1HD1 LEU 36 HD11 LEU 36 0.629 -9.311 -0.803 282 2HD1 LEU 36 HD12 LEU 36 0.913 -7.700 -0.144 283 3HD1 LEU 36 HD13 LEU 36 2.079 -8.990 0.148 284 1HD2 LEU 36 HD21 LEU 36 0.172 -7.526 -2.412 285 2HD2 LEU 36 HD22 LEU 36 1.234 -7.898 -3.770 286 3HD2 LEU 36 HD23 LEU 36 1.466 -6.411 -2.850 287 H VAL 37 HN VAL 37 5.356 -8.325 -4.147 288 HA VAL 37 HA VAL 37 7.704 -6.813 -4.355 289 HB VAL 37 HB VAL 37 6.960 -6.591 -6.800 290 1HG1 VAL 37 HG21 VAL 37 7.384 -8.874 -7.216 291 2HG1 VAL 37 HG22 VAL 37 6.577 -9.384 -5.733 292 3HG1 VAL 37 HG23 VAL 37 8.147 -8.583 -5.653 293 1HG2 VAL 37 HG11 VAL 37 4.740 -6.685 -7.164 294 2HG2 VAL 37 HG12 VAL 37 4.422 -7.333 -5.557 295 3HG2 VAL 37 HG13 VAL 37 4.869 -8.419 -6.870 296 HA PRO 38 HA PRO 38 6.645 -2.597 -4.119 297 1HB PRO 38 HB2 PRO 38 8.050 -1.805 -6.552 298 2HB PRO 38 HB1 PRO 38 8.532 -1.559 -4.867 299 1HG PRO 38 HG2 PRO 38 9.768 -3.273 -6.617 300 2HG PRO 38 HG1 PRO 38 9.838 -3.402 -4.854 301 1HD PRO 38 HD1 PRO 38 8.281 -4.998 -6.806 302 2HD PRO 38 HD2 PRO 38 8.933 -5.461 -5.221 303 H GLY 39 HN GLY 39 6.858 -2.896 -7.676 304 1HA GLY 39 HA1 GLY 39 4.871 -1.121 -8.395 305 2HA GLY 39 HA2 GLY 39 5.215 -2.567 -9.337 306 H ALA 40 HN ALA 40 4.371 -4.443 -7.267 307 HA ALA 40 HA ALA 40 1.630 -4.765 -7.889 308 1HB ALA 40 HB1 ALA 40 3.481 -5.660 -5.681 309 2HB ALA 40 HB2 ALA 40 2.805 -6.612 -7.004 310 3HB ALA 40 HB3 ALA 40 1.781 -6.132 -5.650 311 H TYR 41 HN TYR 41 3.000 -3.592 -4.785 312 HA TYR 41 HA TYR 41 0.597 -2.790 -3.553 313 1HB TYR 41 HB2 TYR 41 2.862 -2.901 -2.529 314 2HB TYR 41 HB1 TYR 41 3.352 -1.496 -3.473 315 HD1 TYR 41 HD1 TYR 41 1.202 -2.688 -0.715 316 HD2 TYR 41 HD2 TYR 41 2.563 0.732 -2.928 317 HE1 TYR 41 HE1 TYR 41 0.252 -1.189 1.017 318 HE2 TYR 41 HE2 TYR 41 1.613 2.232 -1.197 319 HH TYR 41 HH TYR 41 -0.104 2.176 0.538 320 H LEU 42 HN LEU 42 2.788 -0.782 -5.585 321 HA LEU 42 HA LEU 42 1.330 1.629 -5.537 322 1HB LEU 42 HB2 LEU 42 2.911 0.221 -7.713 323 2HB LEU 42 HB1 LEU 42 2.372 1.891 -7.856 324 HG LEU 42 HG LEU 42 3.690 1.380 -5.300 325 1HD1 LEU 42 HD21 LEU 42 4.966 -0.240 -6.661 326 2HD1 LEU 42 HD22 LEU 42 5.965 1.146 -6.227 327 3HD1 LEU 42 HD23 LEU 42 5.291 1.018 -7.852 328 1HD2 LEU 42 HD11 LEU 42 4.108 3.286 -7.618 329 2HD2 LEU 42 HD12 LEU 42 5.012 3.374 -6.106 330 3HD2 LEU 42 HD13 LEU 42 3.265 3.622 -6.105 331 H GLU 43 HN GLU 43 0.763 -1.323 -7.408 332 HA GLU 43 HA GLU 43 -1.292 -0.264 -9.143 333 1HB GLU 43 HB1 GLU 43 0.152 -2.578 -8.901 334 2HB GLU 43 HB2 GLU 43 -1.402 -3.097 -8.249 335 1HG GLU 43 HG1 GLU 43 -2.549 -2.453 -10.265 336 2HG GLU 43 HG2 GLU 43 -1.113 -1.642 -10.890 337 H TYR 44 HN TYR 44 -1.588 -2.429 -6.304 338 HA TYR 44 HA TYR 44 -4.348 -2.235 -5.862 339 1HB TYR 44 HB1 TYR 44 -1.999 -2.379 -3.929 340 2HB TYR 44 HB2 TYR 44 -3.659 -2.785 -3.485 341 HD1 TYR 44 HD1 TYR 44 -4.667 -4.159 -5.852 342 HD2 TYR 44 HD2 TYR 44 -0.795 -4.403 -4.012 343 HE1 TYR 44 HE1 TYR 44 -4.368 -6.423 -6.799 344 HE2 TYR 44 HE2 TYR 44 -0.490 -6.675 -4.962 345 HH TYR 44 HH TYR 44 -1.410 -7.971 -6.955 346 H LYS 45 HN LYS 45 -1.890 -0.293 -4.123 347 HA LYS 45 HA LYS 45 -3.490 1.627 -2.894 348 1HB LYS 45 HB2 LYS 45 -0.923 1.247 -2.959 349 2HB LYS 45 HB1 LYS 45 -0.928 2.259 -4.403 350 1HG LYS 45 HG1 LYS 45 -2.406 3.312 -2.050 351 2HG LYS 45 HG2 LYS 45 -0.649 3.274 -1.921 352 1HD LYS 45 HD2 LYS 45 -0.741 4.324 -4.338 353 2HD LYS 45 HD1 LYS 45 -2.374 4.786 -3.861 354 1HE LYS 45 HE1 LYS 45 -0.875 6.615 -3.275 355 2HE LYS 45 HE2 LYS 45 -1.359 5.820 -1.767 356 1HZ LYS 45 HZ1 LYS 45 0.646 4.687 -1.625 357 2HZ LYS 45 HZ2 LYS 45 1.140 6.202 -2.209 358 3HZ LYS 45 HZ3 LYS 45 1.005 4.886 -3.273 359 H SER 46 HN SER 46 -2.354 1.660 -6.323 360 HA SER 46 HA SER 46 -3.327 4.224 -7.062 361 1HB SER 46 HB1 SER 46 -2.485 1.729 -8.295 362 2HB SER 46 HB2 SER 46 -3.828 2.433 -9.192 363 HG SER 46 HG SER 46 -1.287 3.181 -9.174 364 H ALA 47 HN ALA 47 -5.046 1.294 -6.282 365 HA ALA 47 HA ALA 47 -7.600 2.236 -7.420 366 1HB ALA 47 HB1 ALA 47 -6.849 -0.165 -7.351 367 2HB ALA 47 HB2 ALA 47 -8.391 0.089 -6.532 368 3HB ALA 47 HB3 ALA 47 -6.911 -0.094 -5.590 369 H LEU 48 HN LEU 48 -5.887 2.111 -4.335 370 HA LEU 48 HA LEU 48 -7.985 2.636 -2.490 371 1HB LEU 48 HB1 LEU 48 -5.104 3.585 -2.697 372 2HB LEU 48 HB2 LEU 48 -6.098 3.968 -1.317 373 HG LEU 48 HG LEU 48 -4.511 1.883 -1.250 374 1HD1 LEU 48 HD21 LEU 48 -6.175 2.635 0.445 375 2HD1 LEU 48 HD22 LEU 48 -5.934 0.894 0.379 376 3HD1 LEU 48 HD23 LEU 48 -7.371 1.610 -0.350 377 1HD2 LEU 48 HD11 LEU 48 -6.913 0.798 -2.729 378 2HD2 LEU 48 HD12 LEU 48 -5.803 -0.209 -1.800 379 3HD2 LEU 48 HD13 LEU 48 -5.218 0.693 -3.187 380 H LEU 49 HN LEU 49 -5.963 4.930 -4.311 381 HA LEU 49 HA LEU 49 -7.490 7.264 -3.508 382 1HB LEU 49 HB2 LEU 49 -5.041 6.543 -4.823 383 2HB LEU 49 HB1 LEU 49 -5.908 7.656 -5.879 384 HG LEU 49 HG LEU 49 -6.282 9.008 -3.639 385 1HD1 LEU 49 HD11 LEU 49 -4.870 8.563 -1.880 386 2HD1 LEU 49 HD12 LEU 49 -3.592 7.946 -2.927 387 3HD1 LEU 49 HD13 LEU 49 -4.977 6.928 -2.533 388 1HD2 LEU 49 HD21 LEU 49 -4.719 10.448 -4.471 389 2HD2 LEU 49 HD22 LEU 49 -4.637 9.287 -5.796 390 3HD2 LEU 49 HD23 LEU 49 -3.455 9.218 -4.489 391 H ASN 50 HN ASN 50 -7.275 5.345 -6.521 392 HA ASN 50 HA ASN 50 -8.929 6.928 -8.171 393 1HB ASN 50 HB1 ASN 50 -7.523 4.855 -8.685 394 2HB ASN 50 HB2 ASN 50 -8.865 3.896 -8.060 395 1HD2 ASN 50 HD21 ASN 50 -10.512 3.412 -9.537 396 2HD2 ASN 50 HD22 ASN 50 -10.718 4.177 -11.038 397 H GLU 51 HN GLU 51 -10.019 3.959 -6.470 398 HA GLU 51 HA GLU 51 -12.797 4.414 -6.856 399 1HB GLU 51 HB1 GLU 51 -10.995 2.687 -5.316 400 2HB GLU 51 HB2 GLU 51 -12.529 2.970 -4.493 401 1HG GLU 51 HG2 GLU 51 -13.066 1.146 -5.838 402 2HG GLU 51 HG1 GLU 51 -13.559 2.489 -6.866 403 H CYS 52 HN CYS 52 -10.653 5.368 -4.158 404 HA CYS 52 HA CYS 52 -12.707 6.411 -2.449 405 1HB CYS 52 HB2 CYS 52 -10.376 5.872 -1.785 406 2HB CYS 52 HB1 CYS 52 -9.786 7.186 -2.798 407 HG CYS 52 HG CYS 52 -11.481 7.603 -0.206 408 H HIS 53 HN HIS 53 -11.140 7.693 -5.301 409 HA HIS 53 HA HIS 53 -11.895 10.477 -4.791 410 1HB HIS 53 HB2 HIS 53 -10.573 8.833 -6.919 411 2HB HIS 53 HB1 HIS 53 -11.214 10.407 -7.386 412 HD1 HIS 53 HD1 HIS 53 -8.220 10.165 -7.471 413 HD2 HIS 53 HD2 HIS 53 -10.247 11.269 -3.999 414 HE1 HIS 53 HE1 HIS 53 -6.545 11.396 -6.024 415 H LYS 54 HN LYS 54 -13.230 7.717 -6.546 416 HA LYS 54 HA LYS 54 -15.273 9.367 -7.886 417 1HB LYS 54 HB2 LYS 54 -14.195 6.617 -7.933 418 2HB LYS 54 HB1 LYS 54 -15.931 6.709 -8.230 419 1HG LYS 54 HG1 LYS 54 -15.648 7.709 -10.251 420 2HG LYS 54 HG2 LYS 54 -14.361 8.756 -9.654 421 1HD LYS 54 HD1 LYS 54 -13.790 5.831 -9.955 422 2HD LYS 54 HD2 LYS 54 -13.843 6.828 -11.409 423 1HE LYS 54 HE2 LYS 54 -12.297 7.955 -9.128 424 2HE LYS 54 HE1 LYS 54 -11.589 6.542 -9.934 425 1HZ LYS 54 HZ1 LYS 54 -10.936 8.510 -11.124 426 2HZ LYS 54 HZ2 LYS 54 -12.543 9.048 -11.225 427 3HZ LYS 54 HZ3 LYS 54 -12.057 7.663 -12.078 428 H GLN 55 HN GLN 55 -15.083 7.059 -5.186 429 HA GLN 55 HA GLN 55 -17.992 7.244 -4.707 430 1HB GLN 55 HB2 GLN 55 -15.676 5.811 -3.360 431 2HB GLN 55 HB1 GLN 55 -17.360 5.619 -2.878 432 1HG GLN 55 HG2 GLN 55 -16.711 5.261 -5.769 433 2HG GLN 55 HG1 GLN 55 -16.212 3.983 -4.660 434 1HE2 GLN 55 HE21 GLN 55 -18.248 3.478 -6.578 435 2HE2 GLN 55 HE22 GLN 55 -19.730 3.291 -5.772 436 H GLY 56 HN GLY 56 -15.569 9.358 -4.054 437 1HA GLY 56 HA2 GLY 56 -15.220 10.988 -2.397 438 2HA GLY 56 HA1 GLY 56 -16.953 10.846 -2.102 439 H GLY 57 HN GLY 57 -14.934 8.040 -1.742 440 1HA GLY 57 HA2 GLY 57 -14.004 8.136 0.862 441 2HA GLY 57 HA1 GLY 57 -15.717 7.750 1.044 442 H LEU 58 HN LEU 58 -13.177 6.088 1.446 443 HA LEU 58 HA LEU 58 -14.049 3.795 -0.281 444 1HB LEU 58 HB1 LEU 58 -11.973 4.995 -1.058 445 2HB LEU 58 HB2 LEU 58 -11.211 4.579 0.476 446 HG LEU 58 HG LEU 58 -11.685 2.161 -0.040 447 1HD1 LEU 58 HD11 LEU 58 -13.175 1.771 -1.687 448 2HD1 LEU 58 HD12 LEU 58 -11.898 2.219 -2.819 449 3HD1 LEU 58 HD13 LEU 58 -13.057 3.432 -2.273 450 1HD2 LEU 58 HD21 LEU 58 -9.794 3.955 -1.382 451 2HD2 LEU 58 HD22 LEU 58 -10.060 2.452 -2.264 452 3HD2 LEU 58 HD23 LEU 58 -9.498 2.407 -0.593 453 H ARG 59 HN ARG 59 -15.113 2.674 1.385 454 HA ARG 59 HA ARG 59 -14.283 2.432 4.088 455 1HB ARG 59 HB1 ARG 59 -16.370 1.625 2.462 456 2HB ARG 59 HB2 ARG 59 -15.612 0.091 2.888 457 1HG ARG 59 HG1 ARG 59 -15.608 1.091 5.320 458 2HG ARG 59 HG2 ARG 59 -16.873 2.143 4.685 459 1HD ARG 59 HD1 ARG 59 -16.971 -0.871 4.361 460 2HD ARG 59 HD2 ARG 59 -17.701 -0.034 5.745 461 HE ARG 59 HE ARG 59 -18.625 1.398 3.566 462 1HH1 ARG 59 HH22 ARG 59 -18.617 -1.972 4.442 463 2HH1 ARG 59 HH21 ARG 59 -20.077 -2.312 3.581 464 1HH2 ARG 59 HH11 ARG 59 -20.519 0.930 2.455 465 2HH2 ARG 59 HH12 ARG 59 -21.148 -0.684 2.463 466 H LEU 60 HN LEU 60 -13.980 -0.148 4.798 467 HA LEU 60 HA LEU 60 -11.347 -0.874 3.604 468 1HB LEU 60 HB2 LEU 60 -11.577 -0.384 6.045 469 2HB LEU 60 HB1 LEU 60 -12.724 -1.713 6.185 470 HG LEU 60 HG LEU 60 -11.029 -3.333 5.603 471 1HD1 LEU 60 HD11 LEU 60 -9.491 -2.652 4.078 472 2HD1 LEU 60 HD12 LEU 60 -8.599 -2.021 5.466 473 3HD1 LEU 60 HD13 LEU 60 -9.659 -0.956 4.545 474 1HD2 LEU 60 HD21 LEU 60 -11.061 -2.102 7.938 475 2HD2 LEU 60 HD22 LEU 60 -9.500 -1.476 7.403 476 3HD2 LEU 60 HD23 LEU 60 -9.750 -3.217 7.550 477 H ALA 61 HN ALA 61 -14.332 -2.521 4.789 478 HA ALA 61 HA ALA 61 -13.806 -5.100 3.786 479 1HB ALA 61 HB1 ALA 61 -16.469 -3.634 3.716 480 2HB ALA 61 HB2 ALA 61 -15.749 -4.257 5.200 481 3HB ALA 61 HB3 ALA 61 -16.219 -5.369 3.914 482 H GLN 62 HN GLN 62 -15.204 -2.300 2.070 483 HA GLN 62 HA GLN 62 -15.722 -3.529 -0.442 484 1HB GLN 62 HB1 GLN 62 -14.590 -0.772 0.185 485 2HB GLN 62 HB2 GLN 62 -15.494 -1.215 -1.265 486 1HG GLN 62 HG1 GLN 62 -17.000 -1.980 1.070 487 2HG GLN 62 HG2 GLN 62 -16.543 -0.281 1.198 488 1HE2 GLN 62 HE21 GLN 62 -16.670 0.680 -1.362 489 2HE2 GLN 62 HE22 GLN 62 -18.213 0.452 -2.031 490 H ALA 63 HN ALA 63 -12.765 -2.313 1.041 491 HA ALA 63 HA ALA 63 -10.997 -2.402 -1.135 492 1HB ALA 63 HB1 ALA 63 -10.225 -3.306 1.611 493 2HB ALA 63 HB2 ALA 63 -10.823 -1.663 1.376 494 3HB ALA 63 HB3 ALA 63 -9.375 -2.207 0.531 495 H ARG 64 HN ARG 64 -11.370 -4.905 1.338 496 HA ARG 64 HA ARG 64 -9.827 -6.933 0.154 497 1HB ARG 64 HB1 ARG 64 -12.438 -7.136 1.703 498 2HB ARG 64 HB2 ARG 64 -11.222 -8.400 1.588 499 1HG ARG 64 HG2 ARG 64 -10.116 -7.476 3.337 500 2HG ARG 64 HG1 ARG 64 -9.901 -6.009 2.391 501 1HD ARG 64 HD1 ARG 64 -11.094 -5.583 4.527 502 2HD ARG 64 HD2 ARG 64 -12.042 -5.157 3.089 503 HE ARG 64 HE ARG 64 -13.428 -7.082 3.481 504 1HH1 ARG 64 HH22 ARG 64 -10.709 -6.985 5.662 505 2HH1 ARG 64 HH21 ARG 64 -11.347 -8.228 6.675 506 1HH2 ARG 64 HH12 ARG 64 -14.220 -8.693 4.813 507 2HH2 ARG 64 HH11 ARG 64 -13.313 -9.190 6.202 508 H ALA 65 HN ALA 65 -13.060 -5.820 -0.655 509 HA ALA 65 HA ALA 65 -13.513 -8.061 -2.539 510 1HB ALA 65 HB1 ALA 65 -15.578 -7.522 -1.734 511 2HB ALA 65 HB2 ALA 65 -15.516 -6.153 -2.845 512 3HB ALA 65 HB3 ALA 65 -15.024 -5.947 -1.164 513 H LEU 66 HN LEU 66 -12.263 -4.816 -2.554 514 HA LEU 66 HA LEU 66 -12.766 -4.427 -5.438 515 1HB LEU 66 HB1 LEU 66 -12.863 -2.716 -3.470 516 2HB LEU 66 HB2 LEU 66 -11.115 -2.661 -3.616 517 HG LEU 66 HG LEU 66 -12.062 -0.880 -4.963 518 1HD1 LEU 66 HD21 LEU 66 -10.959 -1.303 -6.993 519 2HD1 LEU 66 HD22 LEU 66 -11.386 -3.014 -6.976 520 3HD1 LEU 66 HD23 LEU 66 -10.158 -2.401 -5.869 521 1HD2 LEU 66 HD11 LEU 66 -14.220 -2.528 -5.254 522 2HD2 LEU 66 HD12 LEU 66 -13.471 -2.669 -6.844 523 3HD2 LEU 66 HD13 LEU 66 -13.940 -1.084 -6.228 524 H ILE 67 HN ILE 67 -9.683 -3.802 -3.696 525 HA ILE 67 HA ILE 67 -8.243 -4.952 -6.023 526 HB ILE 67 HB ILE 67 -6.269 -3.937 -4.808 527 1HG1 ILE 67 HG11 ILE 67 -8.160 -2.468 -3.034 528 2HG1 ILE 67 HG12 ILE 67 -7.716 -4.110 -2.567 529 1HG2 ILE 67 HG21 ILE 67 -8.283 -2.726 -6.283 530 2HG2 ILE 67 HG22 ILE 67 -6.700 -2.036 -5.925 531 3HG2 ILE 67 HG23 ILE 67 -8.081 -1.657 -4.894 532 1HD1 ILE 67 HD11 ILE 67 -6.173 -2.414 -1.594 533 2HD1 ILE 67 HD12 ILE 67 -5.745 -1.895 -3.224 534 3HD1 ILE 67 HD13 ILE 67 -5.335 -3.522 -2.681 535 H LYS 68 HN LYS 68 -5.924 -5.834 -4.836 536 HA LYS 68 HA LYS 68 -5.011 -7.773 -3.867 537 1HB LYS 68 HB2 LYS 68 -6.998 -6.624 -1.962 538 2HB LYS 68 HB1 LYS 68 -6.102 -8.086 -1.529 539 1HG LYS 68 HG1 LYS 68 -4.662 -5.741 -2.729 540 2HG LYS 68 HG2 LYS 68 -5.033 -5.752 -1.019 541 1HD LYS 68 HD2 LYS 68 -3.091 -6.908 -0.817 542 2HD LYS 68 HD1 LYS 68 -4.039 -8.280 -1.376 543 1HE LYS 68 HE1 LYS 68 -3.303 -6.839 -3.698 544 2HE LYS 68 HE2 LYS 68 -1.841 -6.963 -2.702 545 1HZ LYS 68 HZ1 LYS 68 -2.569 -9.356 -2.324 546 2HZ LYS 68 HZ2 LYS 68 -1.948 -8.989 -3.861 547 3HZ LYS 68 HZ3 LYS 68 -3.624 -9.139 -3.636 548 H ILE 69 HN ILE 69 -6.351 -9.810 -2.310 549 HA ILE 69 HA ILE 69 -8.514 -10.755 -4.125 550 HB ILE 69 HB ILE 69 -7.347 -12.824 -4.569 551 1HG1 ILE 69 HG11 ILE 69 -6.282 -12.986 -2.286 552 2HG1 ILE 69 HG12 ILE 69 -5.226 -13.426 -3.623 553 1HG2 ILE 69 HG21 ILE 69 -5.416 -10.511 -4.876 554 2HG2 ILE 69 HG22 ILE 69 -6.748 -10.879 -5.972 555 3HG2 ILE 69 HG23 ILE 69 -5.401 -12.007 -5.810 556 1HD1 ILE 69 HD11 ILE 69 -4.799 -10.684 -3.328 557 2HD1 ILE 69 HD12 ILE 69 -3.738 -11.968 -2.757 558 3HD1 ILE 69 HD13 ILE 69 -4.941 -11.271 -1.675 559 H ASP 70 HN ASP 70 -6.775 -11.191 -1.048 560 HA ASP 70 HA ASP 70 -9.039 -12.902 -0.111 561 1HB ASP 70 HB1 ASP 70 -6.125 -12.781 0.254 562 2HB ASP 70 HB2 ASP 70 -7.001 -13.014 1.766 563 H VAL 71 HN VAL 71 -6.857 -11.114 2.025 564 HA VAL 71 HA VAL 71 -8.600 -8.902 2.586 565 HB VAL 71 HB VAL 71 -10.126 -10.633 3.344 566 1HG1 VAL 71 HG21 VAL 71 -9.532 -12.487 4.591 567 2HG1 VAL 71 HG22 VAL 71 -8.221 -11.642 5.413 568 3HG1 VAL 71 HG23 VAL 71 -8.002 -12.215 3.761 569 1HG2 VAL 71 HG11 VAL 71 -9.488 -8.530 4.843 570 2HG2 VAL 71 HG12 VAL 71 -8.942 -9.787 5.953 571 3HG2 VAL 71 HG13 VAL 71 -10.623 -9.751 5.419 572 H ASN 72 HN ASN 72 -6.286 -11.234 3.995 573 HA ASN 72 HA ASN 72 -5.235 -9.454 6.009 574 1HB ASN 72 HB2 ASN 72 -4.931 -12.097 5.168 575 2HB ASN 72 HB1 ASN 72 -3.366 -11.373 4.799 576 1HD2 ASN 72 HD21 ASN 72 -3.902 -13.320 6.962 577 2HD2 ASN 72 HD22 ASN 72 -3.522 -12.538 8.420 578 H LYS 73 HN LYS 73 -4.497 -10.080 2.625 579 HA LYS 73 HA LYS 73 -2.144 -8.424 2.421 580 1HB LYS 73 HB2 LYS 73 -4.232 -9.169 0.332 581 2HB LYS 73 HB1 LYS 73 -2.548 -8.748 0.025 582 1HG LYS 73 HG2 LYS 73 -2.117 -10.967 0.140 583 2HG LYS 73 HG1 LYS 73 -2.383 -10.826 1.874 584 1HD LYS 73 HD2 LYS 73 -4.953 -10.963 0.751 585 2HD LYS 73 HD1 LYS 73 -4.008 -12.155 -0.139 586 1HE LYS 73 HE2 LYS 73 -4.351 -11.991 2.880 587 2HE LYS 73 HE1 LYS 73 -4.915 -13.281 1.807 588 1HZ LYS 73 HZ1 LYS 73 -2.908 -14.126 2.513 589 2HZ LYS 73 HZ2 LYS 73 -2.162 -12.604 2.604 590 3HZ LYS 73 HZ3 LYS 73 -2.428 -13.331 1.092 591 H THR 74 HN THR 74 -5.554 -7.896 1.471 592 HA THR 74 HA THR 74 -5.305 -5.125 0.809 593 HB THR 74 HB THR 74 -7.766 -6.350 2.046 594 HG1 THR 74 HG1 THR 74 -7.415 -7.997 0.785 595 1HG2 THR 74 HG21 THR 74 -7.080 -4.317 -0.027 596 2HG2 THR 74 HG22 THR 74 -8.337 -4.280 1.211 597 3HG2 THR 74 HG23 THR 74 -8.567 -5.237 -0.254 598 H ARG 75 HN ARG 75 -6.406 -6.738 3.801 599 HA ARG 75 HA ARG 75 -7.051 -4.639 5.449 600 1HB ARG 75 HB1 ARG 75 -5.628 -7.254 5.814 601 2HB ARG 75 HB2 ARG 75 -5.751 -6.177 7.203 602 1HG ARG 75 HG2 ARG 75 -8.276 -6.405 5.742 603 2HG ARG 75 HG1 ARG 75 -7.710 -7.958 6.360 604 1HD ARG 75 HD2 ARG 75 -7.788 -5.473 8.096 605 2HD ARG 75 HD1 ARG 75 -9.157 -6.594 7.979 606 HE ARG 75 HE ARG 75 -6.589 -7.143 9.279 607 1HH1 ARG 75 HH22 ARG 75 -9.371 -8.497 7.681 608 2HH1 ARG 75 HH21 ARG 75 -9.183 -10.045 8.428 609 1HH2 ARG 75 HH12 ARG 75 -6.368 -9.162 10.235 610 2HH2 ARG 75 HH11 ARG 75 -7.497 -10.421 9.863 611 H LYS 76 HN LYS 76 -3.693 -5.788 4.887 612 HA LYS 76 HA LYS 76 -2.509 -3.785 6.582 613 1HB LYS 76 HB2 LYS 76 -1.410 -5.422 4.273 614 2HB LYS 76 HB1 LYS 76 -0.430 -4.564 5.459 615 1HG LYS 76 HG2 LYS 76 -1.406 -5.914 7.267 616 2HG LYS 76 HG1 LYS 76 -2.430 -6.751 6.103 617 1HD LYS 76 HD1 LYS 76 -0.373 -7.544 4.926 618 2HD LYS 76 HD2 LYS 76 0.602 -6.791 6.189 619 1HE LYS 76 HE2 LYS 76 -0.569 -8.215 7.887 620 2HE LYS 76 HE1 LYS 76 -1.425 -9.027 6.563 621 1HZ LYS 76 HZ1 LYS 76 0.538 -10.277 6.987 622 2HZ LYS 76 HZ2 LYS 76 1.510 -8.884 7.010 623 3HZ LYS 76 HZ3 LYS 76 0.819 -9.414 5.552 624 H ILE 77 HN ILE 77 -2.409 -4.015 2.976 625 HA ILE 77 HA ILE 77 -1.270 -1.481 2.499 626 HB ILE 77 HB ILE 77 -3.396 -2.993 0.933 627 1HG1 ILE 77 HG11 ILE 77 -0.362 -3.031 0.827 628 2HG1 ILE 77 HG12 ILE 77 -1.410 -4.351 1.343 629 1HG2 ILE 77 HG21 ILE 77 -3.297 -1.343 -0.602 630 2HG2 ILE 77 HG22 ILE 77 -1.539 -1.469 -0.666 631 3HG2 ILE 77 HG23 ILE 77 -2.305 -0.404 0.515 632 1HD1 ILE 77 HD11 ILE 77 -2.385 -4.495 -0.900 633 2HD1 ILE 77 HD12 ILE 77 -0.631 -4.654 -0.995 634 3HD1 ILE 77 HD13 ILE 77 -1.403 -3.129 -1.431 635 H TYR 78 HN TYR 78 -4.765 -2.269 2.505 636 HA TYR 78 HA TYR 78 -5.687 0.401 2.220 637 1HB TYR 78 HB2 TYR 78 -6.707 -2.255 2.807 638 2HB TYR 78 HB1 TYR 78 -7.569 -1.035 3.740 639 HD1 TYR 78 HD1 TYR 78 -9.285 0.177 2.731 640 HD2 TYR 78 HD2 TYR 78 -6.307 -1.698 0.269 641 HE1 TYR 78 HE1 TYR 78 -10.537 0.845 0.705 642 HE2 TYR 78 HE2 TYR 78 -7.565 -1.025 -1.762 643 HH TYR 78 HH TYR 78 -10.555 -0.291 -1.910 644 H ASP 79 HN ASP 79 -5.234 -1.533 5.234 645 HA ASP 79 HA ASP 79 -6.136 0.394 7.078 646 1HB ASP 79 HB2 ASP 79 -5.451 -1.893 7.673 647 2HB ASP 79 HB1 ASP 79 -3.786 -1.542 7.214 648 H PHE 80 HN PHE 80 -3.190 0.342 5.179 649 HA PHE 80 HA PHE 80 -1.775 2.356 6.711 650 1HB PHE 80 HB1 PHE 80 -0.917 0.562 5.061 651 2HB PHE 80 HB2 PHE 80 -1.442 1.655 3.781 652 HD1 PHE 80 HD1 PHE 80 0.636 1.563 6.894 653 HD2 PHE 80 HD2 PHE 80 -0.026 3.383 3.060 654 HE1 PHE 80 HE1 PHE 80 2.730 2.865 7.150 655 HE2 PHE 80 HE2 PHE 80 2.068 4.685 3.317 656 HZ PHE 80 HZ PHE 80 3.446 4.426 5.362 657 H LEU 81 HN LEU 81 -3.120 2.573 3.381 658 HA LEU 81 HA LEU 81 -3.045 5.436 3.296 659 1HB LEU 81 HB1 LEU 81 -4.844 3.476 1.828 660 2HB LEU 81 HB2 LEU 81 -4.398 5.088 1.275 661 HG LEU 81 HG LEU 81 -2.010 3.614 1.929 662 1HD1 LEU 81 HD21 LEU 81 -2.806 2.189 -0.378 663 2HD1 LEU 81 HD22 LEU 81 -4.107 1.998 0.796 664 3HD1 LEU 81 HD23 LEU 81 -2.461 1.533 1.222 665 1HD2 LEU 81 HD11 LEU 81 -3.118 4.535 -0.736 666 2HD2 LEU 81 HD12 LEU 81 -1.425 4.208 -0.359 667 3HD2 LEU 81 HD13 LEU 81 -2.251 5.569 0.399 668 H ILE 82 HN ILE 82 -5.599 3.163 4.230 669 HA ILE 82 HA ILE 82 -7.810 4.900 4.498 670 HB ILE 82 HB ILE 82 -6.821 2.469 6.025 671 1HG1 ILE 82 HG11 ILE 82 -7.395 2.268 3.583 672 2HG1 ILE 82 HG12 ILE 82 -8.382 1.254 4.634 673 1HG2 ILE 82 HG21 ILE 82 -8.392 2.917 7.589 674 2HG2 ILE 82 HG22 ILE 82 -9.586 2.562 6.340 675 3HG2 ILE 82 HG23 ILE 82 -9.080 4.227 6.628 676 1HD1 ILE 82 HD11 ILE 82 -9.490 3.941 4.234 677 2HD1 ILE 82 HD12 ILE 82 -10.276 2.368 4.100 678 3HD1 ILE 82 HD13 ILE 82 -9.355 3.012 2.740 679 H ARG 83 HN ARG 83 -5.500 3.925 7.042 680 HA ARG 83 HA ARG 83 -6.453 5.964 8.889 681 1HB ARG 83 HB1 ARG 83 -4.299 3.865 8.771 682 2HB ARG 83 HB2 ARG 83 -4.358 5.003 10.115 683 1HG ARG 83 HG1 ARG 83 -6.004 3.802 11.053 684 2HG ARG 83 HG2 ARG 83 -7.015 4.055 9.638 685 1HD ARG 83 HD2 ARG 83 -6.388 2.015 8.656 686 2HD ARG 83 HD1 ARG 83 -4.859 1.949 9.564 687 HE ARG 83 HE ARG 83 -7.449 1.047 10.540 688 1HH1 ARG 83 HH22 ARG 83 -4.391 2.446 11.440 689 2HH1 ARG 83 HH21 ARG 83 -4.474 1.858 13.065 690 1HH2 ARG 83 HH12 ARG 83 -7.533 0.294 12.657 691 2HH2 ARG 83 HH11 ARG 83 -6.237 0.650 13.750 692 H GLU 84 HN GLU 84 -4.190 5.964 6.303 693 HA GLU 84 HA GLU 84 -2.504 8.106 7.452 694 1HB GLU 84 HB2 GLU 84 -2.597 6.445 4.933 695 2HB GLU 84 HB1 GLU 84 -1.567 7.875 5.011 696 1HG GLU 84 HG2 GLU 84 -1.483 5.778 7.179 697 2HG GLU 84 HG1 GLU 84 -0.527 5.604 5.706 698 H GLY 85 HN GLY 85 -2.074 9.774 5.335 699 1HA GLY 85 HA1 GLY 85 -4.655 11.200 5.157 700 2HA GLY 85 HA2 GLY 85 -3.078 11.865 4.738 701 H TYR 86 HN TYR 86 -4.172 8.731 3.513 702 HA TYR 86 HA TYR 86 -4.008 9.859 0.766 703 1HB TYR 86 HB1 TYR 86 -3.996 7.107 2.021 704 2HB TYR 86 HB2 TYR 86 -4.153 7.315 0.276 705 HD1 TYR 86 HD1 TYR 86 -2.356 8.543 -0.994 706 HD2 TYR 86 HD2 TYR 86 -1.900 7.418 3.126 707 HE1 TYR 86 HE1 TYR 86 0.095 8.875 -1.176 708 HE2 TYR 86 HE2 TYR 86 0.552 7.751 2.945 709 HH TYR 86 HH TYR 86 2.023 9.461 0.840 710 H ILE 87 HN ILE 87 -6.078 7.248 2.046 711 HA ILE 87 HA ILE 87 -8.417 8.640 0.780 712 HB ILE 87 HB ILE 87 -9.240 6.352 0.337 713 1HG1 ILE 87 HG12 ILE 87 -6.619 5.365 1.484 714 2HG1 ILE 87 HG11 ILE 87 -8.113 5.402 2.421 715 1HG2 ILE 87 HG21 ILE 87 -6.766 7.474 -0.690 716 2HG2 ILE 87 HG22 ILE 87 -8.046 6.627 -1.558 717 3HG2 ILE 87 HG23 ILE 87 -6.748 5.714 -0.789 718 1HD1 ILE 87 HD11 ILE 87 -9.209 4.013 0.672 719 2HD1 ILE 87 HD12 ILE 87 -7.834 3.191 1.409 720 3HD1 ILE 87 HD13 ILE 87 -7.672 3.920 -0.190 721 H THR 88 HN THR 88 -10.494 7.241 1.835 722 HA THR 88 HA THR 88 -10.128 7.158 4.784 723 HB THR 88 HB THR 88 -10.714 9.463 4.180 724 HG1 THR 88 HG1 THR 88 -11.683 8.545 6.044 725 1HG2 THR 88 HG21 THR 88 -13.324 9.295 3.230 726 2HG2 THR 88 HG22 THR 88 -12.470 8.030 2.348 727 3HG2 THR 88 HG23 THR 88 -11.898 9.696 2.274 728 H LYS 89 HN LYS 89 -11.937 6.101 5.884 729 HA LYS 89 HA LYS 89 -13.041 3.889 4.356 730 1HB LYS 89 HB2 LYS 89 -12.272 4.067 6.834 731 2HB LYS 89 HB1 LYS 89 -13.857 4.784 7.126 732 1HG LYS 89 HG1 LYS 89 -14.958 2.796 6.220 733 2HG LYS 89 HG2 LYS 89 -13.395 2.087 5.815 734 1HD LYS 89 HD1 LYS 89 -14.094 2.900 8.641 735 2HD LYS 89 HD2 LYS 89 -14.483 1.301 8.008 736 1HE LYS 89 HE2 LYS 89 -11.807 1.710 7.266 737 2HE LYS 89 HE1 LYS 89 -11.917 2.323 8.926 738 1HZ LYS 89 HZ1 LYS 89 -11.573 -0.048 8.989 739 2HZ LYS 89 HZ2 LYS 89 -12.875 -0.314 7.931 740 3HZ LYS 89 HZ3 LYS 89 -13.159 0.280 9.497 741 H ALA 90 HN ALA 90 -14.450 6.763 5.956 742 HA ALA 90 HA ALA 90 -16.559 7.788 5.667 743 1HB ALA 90 HB1 ALA 90 -15.278 7.474 3.269 744 2HB ALA 90 HB2 ALA 90 -16.813 8.325 3.447 745 3HB ALA 90 HB3 ALA 90 -16.795 6.636 2.940
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