NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
548460 | 2lr2 | 18126 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 13 1H GLY 13 4.005 23.475 9.798 2 HA2 GLY 13 1HA GLY 13 5.017 20.961 10.957 3 HA3 GLY 13 2HA GLY 13 4.566 22.459 11.772 4 H VAL 14 H VAL 14 2.886 20.423 9.343 5 HA VAL 14 HA VAL 14 0.556 20.056 11.195 6 HB VAL 14 HB VAL 14 0.576 20.677 8.164 7 HG11 VAL 14 1HG1 VAL 14 -1.784 19.647 9.870 8 HG12 VAL 14 2HG1 VAL 14 -1.182 18.981 8.348 9 HG13 VAL 14 3HG1 VAL 14 -2.033 20.520 8.355 10 HG21 VAL 14 3HG2 VAL 14 -0.769 22.216 10.508 11 HG22 VAL 14 1HG2 VAL 14 -0.846 22.672 8.802 12 HG23 VAL 14 2HG2 VAL 14 0.692 22.726 9.656 13 H ASP 15 H ASP 15 -0.092 18.003 11.524 14 HA ASP 15 HA ASP 15 1.431 15.744 10.534 15 HB2 ASP 15 1HB ASP 15 -1.091 15.916 12.300 16 HB3 ASP 15 2HB ASP 15 -0.325 14.386 11.880 17 H ASN 16 H ASN 16 0.858 14.127 9.122 18 HA ASN 16 HA ASN 16 -1.242 14.729 7.098 19 HB2 ASN 16 1HB ASN 16 1.291 13.009 7.031 20 HB3 ASN 16 2HB ASN 16 0.131 13.036 5.705 21 HD21 ASN 16 2HD2 ASN 16 2.859 13.872 5.330 22 HD22 ASN 16 1HD2 ASN 16 2.868 15.536 4.991 23 H LYS 17 H LYS 17 -2.781 13.302 6.497 24 HA LYS 17 HA LYS 17 -3.458 10.981 8.278 25 HB2 LYS 17 1HB LYS 17 -5.157 12.778 6.432 26 HB3 LYS 17 2HB LYS 17 -5.811 11.395 7.320 27 HG2 LYS 17 1HG LYS 17 -5.174 12.503 9.515 28 HG3 LYS 17 2HG LYS 17 -4.499 13.875 8.630 29 HD2 LYS 17 1HD LYS 17 -6.827 14.391 7.688 30 HD3 LYS 17 2HD LYS 17 -7.487 13.051 8.634 31 HE2 LYS 17 1HE LYS 17 -6.072 15.495 9.893 32 HE3 LYS 17 2HE LYS 17 -7.820 15.312 9.771 33 HZ1 LYS 17 3HZ LYS 17 -7.377 13.070 10.956 34 HZ2 LYS 17 1HZ LYS 17 -7.386 14.507 11.857 35 HZ3 LYS 17 2HZ LYS 17 -5.909 13.792 11.416 36 H PHE 18 H PHE 18 -4.258 8.934 7.252 37 HA PHE 18 HA PHE 18 -3.072 8.267 4.688 38 HB2 PHE 18 1HB PHE 18 -4.909 6.282 4.882 39 HB3 PHE 18 2HB PHE 18 -3.469 6.205 5.828 40 HD1 PHE 18 HD1 PHE 18 -7.156 6.816 6.043 41 HD2 PHE 18 HD2 PHE 18 -3.445 6.614 8.299 42 HE1 PHE 18 HE1 PHE 18 -8.435 6.781 8.165 43 HE2 PHE 18 HE2 PHE 18 -4.753 6.587 10.402 44 HZ PHE 18 HZ PHE 18 -7.240 6.679 10.345 45 H ASN 19 H ASN 19 -4.275 9.267 2.397 46 HA ASN 19 HA ASN 19 -6.796 10.146 3.570 47 HB2 ASN 19 1HB ASN 19 -5.400 10.767 0.921 48 HB3 ASN 19 2HB ASN 19 -6.987 11.392 1.302 49 HD21 ASN 19 2HD2 ASN 19 -4.702 13.119 0.876 50 HD22 ASN 19 1HD2 ASN 19 -4.383 13.916 2.341 51 H LYS 20 H LYS 20 -8.313 10.130 1.157 52 HA LYS 20 HA LYS 20 -9.287 7.400 1.256 53 HB2 LYS 20 1HB LYS 20 -11.185 8.276 -0.105 54 HB3 LYS 20 2HB LYS 20 -10.900 9.246 1.335 55 HG2 LYS 20 1HG LYS 20 -9.708 11.015 -0.087 56 HG3 LYS 20 2HG LYS 20 -9.950 10.038 -1.521 57 HD2 LYS 20 1HD LYS 20 -11.662 11.740 -1.622 58 HD3 LYS 20 2HD LYS 20 -12.500 10.254 -1.195 59 HE2 LYS 20 1HE LYS 20 -12.608 10.977 1.211 60 HE3 LYS 20 2HE LYS 20 -11.669 12.426 0.842 61 HZ1 LYS 20 3HZ LYS 20 -14.425 11.738 0.090 62 HZ2 LYS 20 1HZ LYS 20 -13.540 12.839 -0.851 63 HZ3 LYS 20 2HZ LYS 20 -13.814 13.158 0.795 64 H GLU 21 H GLU 21 -8.051 9.611 -1.252 65 HA GLU 21 HA GLU 21 -8.173 7.936 -3.451 66 HB2 GLU 21 1HB GLU 21 -7.516 10.364 -3.546 67 HB3 GLU 21 2HB GLU 21 -5.974 9.966 -2.802 68 HG2 GLU 21 1HG GLU 21 -5.331 8.568 -4.828 69 HG3 GLU 21 2HG GLU 21 -6.904 8.883 -5.556 70 H GLN 22 H GLN 22 -5.968 7.871 -0.745 71 HA GLN 22 HA GLN 22 -4.116 6.038 -2.009 72 HB2 GLN 22 1HB GLN 22 -4.223 6.593 0.992 73 HB3 GLN 22 2HB GLN 22 -2.803 6.269 -0.003 74 HG2 GLN 22 1HG GLN 22 -4.480 8.858 0.075 75 HG3 GLN 22 2HG GLN 22 -2.844 8.676 0.645 76 HE21 GLN 22 2HE2 GLN 22 -4.053 10.460 -1.542 77 HE22 GLN 22 1HE2 GLN 22 -3.070 10.166 -2.893 78 H GLN 23 H GLN 23 -6.305 5.813 0.808 79 HA GLN 23 HA GLN 23 -6.094 3.128 1.353 80 HB2 GLN 23 1HB GLN 23 -8.628 4.846 1.505 81 HB3 GLN 23 2HB GLN 23 -8.551 3.202 2.129 82 HG2 GLN 23 1HG GLN 23 -6.782 3.875 3.776 83 HG3 GLN 23 2HG GLN 23 -6.757 5.501 3.124 84 HE21 GLN 23 2HE2 GLN 23 -7.998 3.750 5.703 85 HE22 GLN 23 1HE2 GLN 23 -9.346 4.716 6.072 86 H ASN 24 H ASN 24 -8.044 4.687 -1.153 87 HA ASN 24 HA ASN 24 -9.496 2.440 -2.007 88 HB2 ASN 24 1HB ASN 24 -10.075 4.752 -2.713 89 HB3 ASN 24 2HB ASN 24 -8.558 4.889 -3.596 90 HD21 ASN 24 2HD2 ASN 24 -9.102 4.802 -5.820 91 HD22 ASN 24 1HD2 ASN 24 -10.192 3.702 -6.514 92 H ALA 25 H ALA 25 -6.378 3.733 -3.140 93 HA ALA 25 HA ALA 25 -5.949 1.688 -5.078 94 HB1 ALA 25 3HB ALA 25 -4.688 3.649 -5.477 95 HB2 ALA 25 1HB ALA 25 -3.467 2.649 -4.688 96 HB3 ALA 25 2HB ALA 25 -4.334 3.872 -3.782 97 H PHE 26 H PHE 26 -5.097 2.072 -1.681 98 HA PHE 26 HA PHE 26 -3.239 0.000 -1.418 99 HB2 PHE 26 1HB PHE 26 -3.738 1.561 0.495 100 HB3 PHE 26 2HB PHE 26 -5.362 0.955 0.583 101 HD1 PHE 26 HD1 PHE 26 -1.771 0.021 1.313 102 HD2 PHE 26 HD2 PHE 26 -5.917 -1.215 1.727 103 HE1 PHE 26 HE1 PHE 26 -1.127 -1.754 2.903 104 HE2 PHE 26 HE2 PHE 26 -5.220 -2.973 3.327 105 HZ PHE 26 HZ PHE 26 -2.825 -3.246 3.918 106 H TYR 27 H TYR 27 -6.769 -0.066 -1.430 107 HA TYR 27 HA TYR 27 -7.013 -2.812 -0.685 108 HB2 TYR 27 1HB TYR 27 -8.922 -0.791 -1.873 109 HB3 TYR 27 2HB TYR 27 -9.417 -2.470 -1.764 110 HD1 TYR 27 HD1 TYR 27 -9.079 -3.637 0.684 111 HD2 TYR 27 HD2 TYR 27 -9.387 0.651 0.071 112 HE1 TYR 27 HE1 TYR 27 -9.741 -3.314 3.059 113 HE2 TYR 27 HE2 TYR 27 -10.012 0.928 2.442 114 HH TYR 27 HH TYR 27 -11.114 -1.444 4.353 115 H GLU 28 H GLU 28 -7.011 -1.094 -3.793 116 HA GLU 28 HA GLU 28 -7.599 -3.220 -5.490 117 HB2 GLU 28 1HB GLU 28 -5.885 -0.794 -5.951 118 HB3 GLU 28 2HB GLU 28 -6.321 -1.902 -7.240 119 HG2 GLU 28 1HG GLU 28 -8.347 -0.330 -5.510 120 HG3 GLU 28 2HG GLU 28 -7.863 0.145 -7.126 121 H ILE 29 H ILE 29 -4.461 -2.184 -4.186 122 HA ILE 29 HA ILE 29 -2.904 -4.114 -5.563 123 HB ILE 29 HB ILE 29 -2.471 -2.325 -3.129 124 HG12 ILE 29 1HG1 ILE 29 -0.389 -1.852 -4.987 125 HG13 ILE 29 2HG1 ILE 29 -1.697 -2.276 -6.063 126 HG21 ILE 29 1HG2 ILE 29 -0.008 -3.096 -3.062 127 HG22 ILE 29 2HG2 ILE 29 -0.468 -4.483 -4.037 128 HG23 ILE 29 3HG2 ILE 29 -1.147 -4.280 -2.429 129 HD11 ILE 29 3HD1 ILE 29 -2.149 -0.180 -3.945 130 HD12 ILE 29 1HD1 ILE 29 -2.933 -0.418 -5.462 131 HD13 ILE 29 2HD1 ILE 29 -1.337 0.200 -5.394 132 H LEU 30 H LEU 30 -4.794 -4.207 -2.630 133 HA LEU 30 HA LEU 30 -3.642 -6.690 -1.690 134 HB2 LEU 30 1HB LEU 30 -4.568 -4.909 -0.125 135 HB3 LEU 30 2HB LEU 30 -6.163 -5.212 -0.779 136 HG LEU 30 HG LEU 30 -6.135 -7.585 0.155 137 HD11 LEU 30 1HD1 LEU 30 -3.319 -6.873 1.099 138 HD12 LEU 30 2HD1 LEU 30 -3.857 -8.286 0.193 139 HD13 LEU 30 3HD1 LEU 30 -4.272 -8.131 1.888 140 HD21 LEU 30 3HD2 LEU 30 -6.358 -7.037 2.557 141 HD22 LEU 30 1HD2 LEU 30 -7.109 -5.786 1.577 142 HD23 LEU 30 2HD2 LEU 30 -5.535 -5.491 2.324 143 H HIS 31 H HIS 31 -5.748 -5.896 -4.141 144 HA HIS 31 HA HIS 31 -7.363 -8.337 -3.879 145 HB2 HIS 31 1HB HIS 31 -7.633 -5.891 -5.665 146 HB3 HIS 31 2HB HIS 31 -8.623 -7.314 -5.928 147 HD1 HIS 31 HD1 HIS 31 -9.543 -8.134 -3.242 148 HD2 HIS 31 HD2 HIS 31 -9.324 -4.105 -4.251 149 HE1 HIS 31 HE1 HIS 31 -11.125 -6.916 -1.697 150 HE2 HIS 31 HE2 HIS 31 -10.987 -4.457 -2.290 151 H LEU 32 H LEU 32 -4.388 -7.538 -5.170 152 HA LEU 32 HA LEU 32 -4.507 -8.559 -7.758 153 HB2 LEU 32 1HB LEU 32 -2.101 -8.652 -5.862 154 HB3 LEU 32 2HB LEU 32 -2.002 -8.804 -7.605 155 HG LEU 32 HG LEU 32 -2.876 -6.350 -6.046 156 HD11 LEU 32 1HD1 LEU 32 -0.232 -7.042 -6.812 157 HD12 LEU 32 2HD1 LEU 32 -0.783 -5.537 -6.128 158 HD13 LEU 32 3HD1 LEU 32 -0.717 -5.716 -7.865 159 HD21 LEU 32 3HD2 LEU 32 -3.073 -6.711 -9.023 160 HD22 LEU 32 1HD2 LEU 32 -2.899 -5.110 -8.335 161 HD23 LEU 32 2HD2 LEU 32 -4.273 -6.098 -7.911 162 HA PRO 33 HA PRO 33 -5.084 -13.073 -6.794 163 HB2 PRO 33 1HB PRO 33 -5.493 -14.073 -9.301 164 HB3 PRO 33 2HB PRO 33 -6.766 -13.189 -8.419 165 HG2 PRO 33 1HG PRO 33 -4.877 -12.164 -10.571 166 HG3 PRO 33 2HG PRO 33 -6.629 -11.900 -10.396 167 HD2 PRO 33 1HD PRO 33 -4.835 -10.012 -9.585 168 HD3 PRO 33 2HD PRO 33 -6.379 -10.230 -8.746 169 H ASN 34 H ASN 34 -3.788 -15.056 -7.104 170 HA ASN 34 HA ASN 34 -1.790 -16.206 -7.183 171 HB2 ASN 34 1HB ASN 34 -1.305 -14.537 -9.753 172 HB3 ASN 34 2HB ASN 34 -0.338 -15.922 -9.270 173 HD21 ASN 34 2HD2 ASN 34 -2.634 -15.219 -11.460 174 HD22 ASN 34 1HD2 ASN 34 -3.490 -16.684 -11.510 175 H LEU 35 H LEU 35 -1.740 -14.571 -5.243 176 HA LEU 35 HA LEU 35 -0.135 -12.276 -5.239 177 HB2 LEU 35 1HB LEU 35 -0.900 -14.216 -2.957 178 HB3 LEU 35 2HB LEU 35 -0.076 -12.695 -2.649 179 HG LEU 35 HG LEU 35 -2.836 -12.821 -4.050 180 HD11 LEU 35 1HD1 LEU 35 -3.174 -13.713 -1.754 181 HD12 LEU 35 2HD1 LEU 35 -3.891 -12.117 -1.881 182 HD13 LEU 35 3HD1 LEU 35 -2.342 -12.320 -1.046 183 HD21 LEU 35 3HD2 LEU 35 -1.585 -10.677 -4.444 184 HD22 LEU 35 1HD2 LEU 35 -1.376 -10.443 -2.721 185 HD23 LEU 35 2HD2 LEU 35 -2.981 -10.375 -3.429 186 H ASN 36 H ASN 36 1.904 -11.800 -4.942 187 HA ASN 36 HA ASN 36 3.969 -13.845 -4.273 188 HB2 ASN 36 1HB ASN 36 4.205 -12.983 -6.682 189 HB3 ASN 36 2HB ASN 36 4.335 -11.358 -6.070 190 HD21 ASN 36 2HD2 ASN 36 6.479 -12.419 -7.570 191 HD22 ASN 36 1HD2 ASN 36 7.813 -12.690 -6.557 192 H GLU 37 H GLU 37 4.581 -13.390 -2.287 193 HA GLU 37 HA GLU 37 3.454 -11.288 -0.774 194 HB2 GLU 37 1HB GLU 37 5.669 -13.306 -0.063 195 HB3 GLU 37 2HB GLU 37 4.940 -12.223 1.116 196 HG2 GLU 37 1HG GLU 37 3.655 -14.206 1.437 197 HG3 GLU 37 2HG GLU 37 2.604 -13.303 0.362 198 H GLU 38 H GLU 38 6.794 -11.886 -1.850 199 HA GLU 38 HA GLU 38 8.036 -9.709 -0.636 200 HB2 GLU 38 1HB GLU 38 8.642 -11.074 -3.321 201 HB3 GLU 38 2HB GLU 38 9.728 -9.893 -2.573 202 HG2 GLU 38 1HG GLU 38 10.034 -11.412 -0.570 203 HG3 GLU 38 2HG GLU 38 8.894 -12.573 -1.256 204 H GLN 39 H GLN 39 6.327 -9.896 -3.739 205 HA GLN 39 HA GLN 39 6.872 -7.207 -4.515 206 HB2 GLN 39 1HB GLN 39 4.748 -9.184 -5.438 207 HB3 GLN 39 2HB GLN 39 4.972 -7.631 -6.163 208 HG2 GLN 39 1HG GLN 39 7.324 -8.213 -6.859 209 HG3 GLN 39 2HG GLN 39 7.155 -9.787 -6.079 210 HE21 GLN 39 2HE2 GLN 39 7.803 -10.234 -8.577 211 HE22 GLN 39 1HE2 GLN 39 6.488 -10.525 -9.610 212 H ARG 40 H ARG 40 3.950 -8.766 -3.182 213 HA ARG 40 HA ARG 40 2.273 -6.599 -2.988 214 HB2 ARG 40 1HB ARG 40 1.670 -8.989 -2.380 215 HB3 ARG 40 2HB ARG 40 2.628 -8.845 -0.915 216 HG2 ARG 40 1HG ARG 40 1.102 -7.113 -0.036 217 HG3 ARG 40 2HG ARG 40 0.118 -7.112 -1.491 218 HD2 ARG 40 1HD ARG 40 -1.051 -8.450 0.233 219 HD3 ARG 40 2HD ARG 40 -0.445 -9.567 -0.951 220 HE ARG 40 HE ARG 40 1.111 -10.418 0.567 221 HH11 ARG 40 1HH2 ARG 40 -0.477 -7.626 1.950 222 HH12 ARG 40 2HH2 ARG 40 0.106 -7.937 3.548 223 HH21 ARG 40 1HH1 ARG 40 1.860 -10.782 2.662 224 HH22 ARG 40 2HH1 ARG 40 1.419 -9.708 3.947 225 H ASN 41 H ASN 41 4.612 -7.653 -0.505 226 HA ASN 41 HA ASN 41 4.191 -5.598 1.329 227 HB2 ASN 41 1HB ASN 41 5.676 -7.770 1.514 228 HB3 ASN 41 2HB ASN 41 6.968 -6.783 0.872 229 HD21 ASN 41 2HD2 ASN 41 8.233 -6.593 2.820 230 HD22 ASN 41 1HD2 ASN 41 7.656 -5.865 4.241 231 H ALA 42 H ALA 42 6.959 -5.759 -0.923 232 HA ALA 42 HA ALA 42 8.029 -3.299 -0.680 233 HB1 ALA 42 3HB ALA 42 7.492 -4.654 -3.375 234 HB2 ALA 42 1HB ALA 42 8.850 -5.020 -2.310 235 HB3 ALA 42 2HB ALA 42 8.729 -3.432 -3.070 236 H PHE 43 H PHE 43 5.205 -4.023 -2.732 237 HA PHE 43 HA PHE 43 4.759 -1.313 -3.491 238 HB2 PHE 43 1HB PHE 43 2.704 -3.596 -3.518 239 HB3 PHE 43 2HB PHE 43 2.723 -2.154 -4.475 240 HD1 PHE 43 HD1 PHE 43 6.064 -2.506 -4.872 241 HD2 PHE 43 HD2 PHE 43 2.483 -4.799 -5.844 242 HE1 PHE 43 HE1 PHE 43 7.315 -3.732 -6.536 243 HE2 PHE 43 HE2 PHE 43 3.793 -5.978 -7.585 244 HZ PHE 43 HZ PHE 43 6.211 -5.496 -7.847 245 H ILE 44 H ILE 44 3.279 -3.429 -1.044 246 HA ILE 44 HA ILE 44 1.379 -1.594 -0.080 247 HB ILE 44 HB ILE 44 2.620 -4.065 1.086 248 HG12 ILE 44 1HG1 ILE 44 -0.235 -3.340 0.229 249 HG13 ILE 44 2HG1 ILE 44 0.792 -4.582 -0.439 250 HG21 ILE 44 1HG2 ILE 44 2.546 -2.832 3.156 251 HG22 ILE 44 2HG2 ILE 44 1.175 -3.911 3.190 252 HG23 ILE 44 3HG2 ILE 44 0.943 -2.218 2.803 253 HD11 ILE 44 3HD1 ILE 44 -0.842 -5.737 0.873 254 HD12 ILE 44 1HD1 ILE 44 -0.728 -4.588 2.195 255 HD13 ILE 44 2HD1 ILE 44 0.581 -5.743 1.920 256 H GLN 45 H GLN 45 4.766 -2.132 0.774 257 HA GLN 45 HA GLN 45 4.862 -0.452 3.039 258 HB2 GLN 45 1HB GLN 45 7.058 -1.308 1.081 259 HB3 GLN 45 2HB GLN 45 7.403 -0.349 2.519 260 HG2 GLN 45 1HG GLN 45 6.551 -2.211 3.988 261 HG3 GLN 45 2HG GLN 45 6.117 -3.163 2.583 262 HE21 GLN 45 2HE2 GLN 45 8.544 -2.841 4.883 263 HE22 GLN 45 1HE2 GLN 45 9.833 -3.529 4.021 264 H SER 46 H SER 46 5.796 0.206 -0.345 265 HA SER 46 HA SER 46 6.510 2.862 -0.115 266 HB2 SER 46 1HB SER 46 5.146 1.419 -2.407 267 HB3 SER 46 2HB SER 46 5.824 3.037 -2.569 268 HG SER 46 HG SER 46 7.262 1.295 -3.144 269 H LEU 47 H LEU 47 3.294 1.445 -0.215 270 HA LEU 47 HA LEU 47 1.859 3.878 -0.569 271 HB2 LEU 47 1HB LEU 47 1.097 1.152 0.538 272 HB3 LEU 47 2HB LEU 47 -0.101 2.413 0.294 273 HG LEU 47 HG LEU 47 1.710 1.333 -1.959 274 HD11 LEU 47 1HD1 LEU 47 -0.608 0.029 -0.846 275 HD12 LEU 47 2HD1 LEU 47 0.411 -0.477 -2.149 276 HD13 LEU 47 3HD1 LEU 47 -0.950 0.551 -2.461 277 HD21 LEU 47 3HD2 LEU 47 1.048 3.341 -2.793 278 HD22 LEU 47 1HD2 LEU 47 -0.416 3.403 -1.850 279 HD23 LEU 47 2HD2 LEU 47 -0.365 2.433 -3.297 280 H LYS 48 H LYS 48 3.627 2.651 2.035 281 HA LYS 48 HA LYS 48 2.086 4.223 4.000 282 HB2 LYS 48 1HB LYS 48 2.478 1.823 4.587 283 HB3 LYS 48 2HB LYS 48 4.211 2.009 4.378 284 HG2 LYS 48 1HG LYS 48 4.296 3.618 6.353 285 HG3 LYS 48 2HG LYS 48 2.556 3.467 6.561 286 HD2 LYS 48 1HD LYS 48 2.888 1.011 7.078 287 HD3 LYS 48 2HD LYS 48 4.611 1.175 6.886 288 HE2 LYS 48 1HE LYS 48 4.679 2.759 8.834 289 HE3 LYS 48 2HE LYS 48 2.934 2.631 9.049 290 HZ1 LYS 48 3HZ LYS 48 4.331 0.102 8.961 291 HZ2 LYS 48 1HZ LYS 48 3.158 0.665 10.048 292 HZ3 LYS 48 2HZ LYS 48 4.786 1.101 10.259 293 H ASP 49 H ASP 49 5.311 3.767 2.594 294 HA ASP 49 HA ASP 49 6.807 5.096 4.427 295 HB2 ASP 49 1HB ASP 49 7.366 4.632 1.480 296 HB3 ASP 49 2HB ASP 49 8.612 5.239 2.563 297 H ASP 50 H ASP 50 4.918 6.955 2.307 298 HA ASP 50 HA ASP 50 6.561 9.209 1.843 299 HB2 ASP 50 1HB ASP 50 4.450 8.780 0.680 300 HB3 ASP 50 2HB ASP 50 3.549 9.068 2.161 301 H SER 51 H SER 51 4.323 8.677 4.675 302 HA SER 51 HA SER 51 5.829 10.492 6.437 303 HB2 SER 51 1HB SER 51 3.742 11.861 7.050 304 HB3 SER 51 2HB SER 51 4.324 12.179 5.413 305 HG SER 51 HG SER 51 2.217 11.808 5.127 306 H TYR 52 H TYR 52 4.928 10.041 8.966 307 HA TYR 52 HA TYR 52 3.649 7.303 9.070 308 HB2 TYR 52 1HB TYR 52 6.012 8.471 10.595 309 HB3 TYR 52 2HB TYR 52 5.400 6.843 10.839 310 HD1 TYR 52 HD1 TYR 52 5.718 5.072 8.980 311 HD2 TYR 52 HD2 TYR 52 7.318 9.083 8.502 312 HE1 TYR 52 HE1 TYR 52 7.160 4.307 7.096 313 HE2 TYR 52 HE2 TYR 52 8.732 8.283 6.635 314 HH TYR 52 HH TYR 52 9.623 5.416 6.077 315 H ILE 53 H ILE 53 1.489 7.031 10.955 316 HA ILE 53 HA ILE 53 2.178 8.934 13.094 317 HB ILE 53 HB ILE 53 0.727 10.067 11.476 318 HG12 ILE 53 1HG1 ILE 53 -0.912 9.389 13.967 319 HG13 ILE 53 2HG1 ILE 53 0.478 10.471 13.951 320 HG21 ILE 53 1HG2 ILE 53 -1.477 9.293 10.839 321 HG22 ILE 53 2HG2 ILE 53 -1.401 7.919 11.946 322 HG23 ILE 53 3HG2 ILE 53 -0.356 7.975 10.520 323 HD11 ILE 53 3HD1 ILE 53 -2.129 10.873 12.401 324 HD12 ILE 53 1HD1 ILE 53 -0.703 11.924 12.265 325 HD13 ILE 53 2HD1 ILE 53 -1.561 11.779 13.808 326 H ASP 54 H ASP 54 2.017 7.995 15.035 327 HA ASP 54 HA ASP 54 0.733 5.451 15.377 328 HB2 ASP 54 1HB ASP 54 2.639 5.689 16.708 329 HB3 ASP 54 2HB ASP 54 2.207 7.322 17.209 330 H THR 55 H THR 55 -1.376 6.397 14.617 331 HA THR 55 HA THR 55 -2.834 8.165 16.048 332 HB THR 55 HB THR 55 -4.845 7.377 14.950 333 HG1 THR 55 HG1 THR 55 -3.972 5.232 13.685 334 HG21 THR 55 3HG2 THR 55 -3.134 6.607 12.754 335 HG22 THR 55 1HG2 THR 55 -2.413 7.946 13.645 336 HG23 THR 55 2HG2 THR 55 -4.040 8.103 12.980 337 H ASN 56 H ASN 56 -2.698 4.732 16.737 338 HA ASN 56 HA ASN 56 -4.672 5.177 18.748 339 HB2 ASN 56 1HB ASN 56 -3.122 2.631 18.282 340 HB3 ASN 56 2HB ASN 56 -4.717 2.816 19.007 341 HD21 ASN 56 2HD2 ASN 56 -5.359 4.911 16.826 342 HD22 ASN 56 1HD2 ASN 56 -5.723 3.970 15.461 343 H ASN 57 H ASN 57 -1.674 5.924 18.790 344 HA ASN 57 HA ASN 57 -0.096 6.367 20.415 345 HB2 ASN 57 1HB ASN 57 -2.444 7.333 21.209 346 HB3 ASN 57 2HB ASN 57 -2.181 6.210 22.543 347 HD21 ASN 57 2HD2 ASN 57 0.245 8.137 20.712 348 HD22 ASN 57 1HD2 ASN 57 0.819 8.978 22.070 349 H ASP 58 H ASP 58 0.213 3.708 19.859 350 HA ASP 58 HA ASP 58 0.550 2.718 22.596 351 HB2 ASP 58 1HB ASP 58 0.481 0.386 21.703 352 HB3 ASP 58 2HB ASP 58 -1.047 1.247 21.530 353 H GLY 59 H GLY 59 2.365 4.055 20.405 354 HA2 GLY 59 1HA GLY 59 4.668 4.078 20.431 355 HA3 GLY 59 2HA GLY 59 4.733 2.620 21.416 356 H ALA 60 H ALA 60 2.823 2.132 18.767 357 HA ALA 60 HA ALA 60 5.056 1.389 17.130 358 HB1 ALA 60 3HB ALA 60 3.562 -0.567 18.426 359 HB2 ALA 60 1HB ALA 60 4.671 -0.823 17.077 360 HB3 ALA 60 2HB ALA 60 2.948 -0.586 16.772 361 H TYR 61 H TYR 61 4.479 0.979 14.813 362 HA TYR 61 HA TYR 61 2.119 2.604 13.852 363 HB2 TYR 61 1HB TYR 61 4.613 1.674 12.408 364 HB3 TYR 61 2HB TYR 61 3.358 2.736 11.769 365 HD1 TYR 61 HD2 TYR 61 2.776 4.590 13.891 366 HD2 TYR 61 HD1 TYR 61 6.563 2.917 12.746 367 HE1 TYR 61 HE2 TYR 61 3.937 6.551 14.868 368 HE2 TYR 61 HE1 TYR 61 7.723 4.877 13.725 369 HH TYR 61 HH TYR 61 6.884 6.679 15.766 370 H GLU 62 H GLU 62 0.444 1.161 13.459 371 HA GLU 62 HA GLU 62 1.096 -1.298 12.000 372 HB2 GLU 62 1HB GLU 62 0.237 -2.830 13.583 373 HB3 GLU 62 2HB GLU 62 1.246 -1.731 14.526 374 HG2 GLU 62 1HG GLU 62 -1.755 -1.877 14.369 375 HG3 GLU 62 2HG GLU 62 -0.721 -1.817 15.796 376 H GLY 63 H GLY 63 -0.881 -2.599 11.524 377 HA2 GLY 63 1HA GLY 63 -2.745 -2.665 10.244 378 HA3 GLY 63 2HA GLY 63 -3.471 -2.078 11.737 379 H ASP 64 H ASP 64 -4.840 -0.490 11.427 380 HA ASP 64 HA ASP 64 -5.151 0.737 8.916 381 HB2 ASP 64 1HB ASP 64 -7.010 0.625 10.430 382 HB3 ASP 64 2HB ASP 64 -6.154 1.578 11.640 383 H GLU 65 H GLU 65 -2.857 1.454 11.301 384 HA GLU 65 HA GLU 65 -2.532 4.273 10.726 385 HB2 GLU 65 1HB GLU 65 -1.136 2.186 12.287 386 HB3 GLU 65 2HB GLU 65 -0.215 3.602 11.771 387 HG2 GLU 65 1HG GLU 65 -1.112 4.503 13.690 388 HG3 GLU 65 2HG GLU 65 -2.395 4.916 12.617 389 H LEU 66 H LEU 66 -1.856 1.304 8.986 390 HA LEU 66 HA LEU 66 0.649 1.914 7.897 391 HB2 LEU 66 1HB LEU 66 -1.365 -0.215 7.274 392 HB3 LEU 66 2HB LEU 66 -0.141 0.062 6.060 393 HG LEU 66 HG LEU 66 1.677 -0.365 7.772 394 HD11 LEU 66 1HD1 LEU 66 0.952 -1.430 9.988 395 HD12 LEU 66 2HD1 LEU 66 -0.491 -0.491 9.752 396 HD13 LEU 66 3HD1 LEU 66 1.033 0.319 9.859 397 HD21 LEU 66 3HD2 LEU 66 0.850 -2.358 6.536 398 HD22 LEU 66 1HD2 LEU 66 -0.282 -2.705 7.856 399 HD23 LEU 66 2HD2 LEU 66 1.469 -2.762 8.130 400 H SER 67 H SER 67 -2.469 2.942 6.044 401 HA SER 67 HA SER 67 -0.927 3.568 3.575 402 HB2 SER 67 1HB SER 67 -3.197 2.723 3.387 403 HB3 SER 67 2HB SER 67 -3.844 4.011 4.372 404 HG SER 67 HG SER 67 -4.213 4.671 2.343 405 H GLY 68 H GLY 68 -1.301 5.864 2.285 406 HA2 GLY 68 1HA GLY 68 -1.713 8.388 2.772 407 HA3 GLY 68 2HA GLY 68 -0.700 8.155 4.172 408 H SER 69 H SER 69 -0.592 7.623 0.638 409 HA SER 69 HA SER 69 1.915 9.064 0.341 410 HB2 SER 69 1HB SER 69 3.091 7.015 -0.732 411 HB3 SER 69 2HB SER 69 2.770 6.788 0.990 412 HG SER 69 HG SER 69 0.965 6.008 -1.022 413 H GLN 70 H GLN 70 2.645 9.047 -1.974 414 HA GLN 70 HA GLN 70 0.649 9.905 -3.848 415 HB2 GLN 70 1HB GLN 70 3.535 8.920 -4.303 416 HB3 GLN 70 2HB GLN 70 2.543 9.696 -5.552 417 HG2 GLN 70 1HG GLN 70 2.454 11.809 -4.208 418 HG3 GLN 70 2HG GLN 70 3.380 11.047 -2.912 419 HE21 GLN 70 2HE2 GLN 70 4.701 13.170 -3.625 420 HE22 GLN 70 1HE2 GLN 70 5.938 12.899 -4.754 421 H SER 71 H SER 71 -0.417 7.557 -2.993 422 HA SER 71 HA SER 71 0.288 5.151 -3.984 423 HB2 SER 71 1HB SER 71 -2.013 4.443 -3.467 424 HB3 SER 71 2HB SER 71 -1.448 5.544 -2.236 425 HG SER 71 HG SER 71 -3.263 5.941 -4.345 426 H ALA 72 H ALA 72 -1.422 7.601 -5.839 427 HA ALA 72 HA ALA 72 -2.722 5.990 -7.731 428 HB1 ALA 72 3HB ALA 72 -1.324 8.712 -8.188 429 HB2 ALA 72 1HB ALA 72 -2.986 8.482 -7.645 430 HB3 ALA 72 2HB ALA 72 -2.523 8.007 -9.281 431 H ASN 73 H ASN 73 0.676 7.198 -7.777 432 HA ASN 73 HA ASN 73 1.415 6.039 -10.250 433 HB2 ASN 73 1HB ASN 73 3.005 7.085 -7.864 434 HB3 ASN 73 2HB ASN 73 3.824 6.369 -9.263 435 HD21 ASN 73 2HD2 ASN 73 4.189 9.142 -8.578 436 HD22 ASN 73 1HD2 ASN 73 3.508 10.092 -9.809 437 H LEU 74 H LEU 74 1.879 4.940 -6.894 438 HA LEU 74 HA LEU 74 3.243 2.552 -7.496 439 HB2 LEU 74 1HB LEU 74 3.079 3.572 -5.190 440 HB3 LEU 74 2HB LEU 74 1.412 3.084 -5.162 441 HG LEU 74 HG LEU 74 3.162 1.535 -3.938 442 HD11 LEU 74 1HD1 LEU 74 1.789 -0.282 -4.064 443 HD12 LEU 74 2HD1 LEU 74 1.543 -0.166 -5.775 444 HD13 LEU 74 3HD1 LEU 74 0.723 0.902 -4.716 445 HD21 LEU 74 3HD2 LEU 74 4.529 0.006 -5.152 446 HD22 LEU 74 1HD2 LEU 74 4.782 1.506 -6.010 447 HD23 LEU 74 2HD2 LEU 74 3.704 0.257 -6.656 448 H LEU 75 H LEU 75 -0.219 3.237 -7.106 449 HA LEU 75 HA LEU 75 -1.191 0.622 -7.313 450 HB2 LEU 75 1HB LEU 75 -2.733 2.379 -6.712 451 HB3 LEU 75 2HB LEU 75 -2.375 3.329 -8.122 452 HG LEU 75 HG LEU 75 -3.535 1.532 -9.571 453 HD11 LEU 75 1HD1 LEU 75 -4.324 0.247 -6.962 454 HD12 LEU 75 2HD1 LEU 75 -3.331 -0.476 -8.213 455 HD13 LEU 75 3HD1 LEU 75 -5.021 -0.146 -8.520 456 HD21 LEU 75 3HD2 LEU 75 -5.798 2.223 -9.174 457 HD22 LEU 75 1HD2 LEU 75 -4.795 3.601 -8.743 458 HD23 LEU 75 2HD2 LEU 75 -5.494 2.588 -7.487 459 H ALA 76 H ALA 76 -0.826 3.059 -9.899 460 HA ALA 76 HA ALA 76 -1.579 1.409 -12.035 461 HB1 ALA 76 3HB ALA 76 -1.289 3.955 -12.097 462 HB2 ALA 76 1HB ALA 76 -0.593 3.117 -13.484 463 HB3 ALA 76 2HB ALA 76 0.451 3.695 -12.183 464 H GLU 77 H GLU 77 1.450 1.715 -10.310 465 HA GLU 77 HA GLU 77 3.028 0.284 -12.236 466 HB2 GLU 77 1HB GLU 77 4.064 1.928 -10.677 467 HB3 GLU 77 2HB GLU 77 3.652 0.897 -9.319 468 HG2 GLU 77 1HG GLU 77 5.172 -0.940 -10.200 469 HG3 GLU 77 2HG GLU 77 5.567 0.066 -11.598 470 H ALA 78 H ALA 78 1.897 -0.576 -8.956 471 HA ALA 78 HA ALA 78 2.631 -3.254 -8.979 472 HB1 ALA 78 3HB ALA 78 0.661 -3.509 -7.302 473 HB2 ALA 78 1HB ALA 78 0.341 -1.800 -7.602 474 HB3 ALA 78 2HB ALA 78 1.875 -2.309 -6.919 475 H LYS 79 H LYS 79 -0.268 -1.708 -10.280 476 HA LYS 79 HA LYS 79 -1.640 -4.116 -10.933 477 HB2 LYS 79 1HB LYS 79 -2.766 -1.872 -10.677 478 HB3 LYS 79 2HB LYS 79 -1.958 -1.308 -12.138 479 HG2 LYS 79 1HG LYS 79 -3.216 -3.042 -13.515 480 HG3 LYS 79 2HG LYS 79 -3.985 -3.663 -12.052 481 HD2 LYS 79 1HD LYS 79 -5.151 -1.410 -11.726 482 HD3 LYS 79 2HD LYS 79 -4.386 -0.805 -13.197 483 HE2 LYS 79 1HE LYS 79 -5.640 -2.527 -14.561 484 HE3 LYS 79 2HE LYS 79 -6.389 -3.157 -13.090 485 HZ1 LYS 79 3HZ LYS 79 -7.958 -1.702 -13.874 486 HZ2 LYS 79 1HZ LYS 79 -6.821 -0.579 -14.443 487 HZ3 LYS 79 2HZ LYS 79 -7.121 -0.711 -12.776 488 H LYS 80 H LYS 80 0.686 -2.085 -12.624 489 HA LYS 80 HA LYS 80 0.398 -3.258 -15.191 490 HB2 LYS 80 1HB LYS 80 2.714 -1.714 -13.982 491 HB3 LYS 80 2HB LYS 80 2.771 -2.327 -15.624 492 HG2 LYS 80 1HG LYS 80 0.730 -0.944 -16.207 493 HG3 LYS 80 2HG LYS 80 0.643 -0.353 -14.574 494 HD2 LYS 80 1HD LYS 80 2.906 0.809 -14.861 495 HD3 LYS 80 2HD LYS 80 3.003 0.183 -16.505 496 HE2 LYS 80 1HE LYS 80 0.970 1.546 -17.144 497 HE3 LYS 80 2HE LYS 80 0.858 2.160 -15.496 498 HZ1 LYS 80 3HZ LYS 80 2.870 2.722 -17.561 499 HZ2 LYS 80 1HZ LYS 80 3.301 2.860 -15.926 500 HZ3 LYS 80 2HZ LYS 80 2.029 3.797 -16.549 501 H LEU 81 H LEU 81 2.367 -4.056 -12.375 502 HA LEU 81 HA LEU 81 3.903 -6.082 -13.711 503 HB2 LEU 81 1HB LEU 81 3.556 -5.438 -10.745 504 HB3 LEU 81 2HB LEU 81 4.604 -6.734 -11.326 505 HG LEU 81 HG LEU 81 4.941 -3.766 -12.175 506 HD11 LEU 81 1HD1 LEU 81 6.943 -3.676 -10.688 507 HD12 LEU 81 2HD1 LEU 81 6.530 -5.262 -10.046 508 HD13 LEU 81 3HD1 LEU 81 5.437 -3.878 -9.803 509 HD21 LEU 81 3HD2 LEU 81 6.611 -6.272 -12.794 510 HD22 LEU 81 1HD2 LEU 81 7.358 -4.674 -12.797 511 HD23 LEU 81 2HD2 LEU 81 6.038 -5.022 -13.891 512 H ASN 82 H ASN 82 1.515 -6.350 -11.066 513 HA ASN 82 HA ASN 82 1.105 -9.035 -11.007 514 HB2 ASN 82 1HB ASN 82 -0.109 -7.590 -9.492 515 HB3 ASN 82 2HB ASN 82 -0.996 -6.820 -10.805 516 HD21 ASN 82 2HD2 ASN 82 -3.043 -7.712 -11.180 517 HD22 ASN 82 1HD2 ASN 82 -3.549 -9.257 -10.709 518 H ASP 83 H ASP 83 0.196 -6.853 -13.555 519 HA ASP 83 HA ASP 83 -1.483 -8.848 -14.874 520 HB2 ASP 83 1HB ASP 83 -0.766 -5.961 -15.576 521 HB3 ASP 83 2HB ASP 83 -1.728 -6.981 -16.639 522 H ALA 84 H ALA 84 1.670 -7.309 -15.212 523 HA ALA 84 HA ALA 84 2.245 -8.562 -17.747 524 HB1 ALA 84 3HB ALA 84 4.128 -7.113 -15.835 525 HB2 ALA 84 1HB ALA 84 3.285 -6.378 -17.194 526 HB3 ALA 84 2HB ALA 84 4.531 -7.593 -17.479 527 H GLN 85 H GLN 85 2.695 -9.312 -14.376 528 HA GLN 85 HA GLN 85 4.410 -11.607 -15.062 529 HB2 GLN 85 1HB GLN 85 3.789 -10.273 -12.353 530 HB3 GLN 85 2HB GLN 85 4.846 -11.678 -12.528 531 HG2 GLN 85 1HG GLN 85 5.390 -8.905 -13.806 532 HG3 GLN 85 2HG GLN 85 6.162 -9.517 -12.344 533 HE21 GLN 85 2HE2 GLN 85 6.934 -9.015 -15.483 534 HE22 GLN 85 1HE2 GLN 85 7.987 -10.316 -15.759 535 H ALA 86 H ALA 86 1.451 -11.382 -15.514 536 HA ALA 86 HA ALA 86 0.463 -13.468 -13.687 537 HB1 ALA 86 3HB ALA 86 -0.799 -11.238 -15.087 538 HB2 ALA 86 1HB ALA 86 -1.426 -12.172 -13.748 539 HB3 ALA 86 2HB ALA 86 -1.665 -12.707 -15.415 540 HA PRO 87 HA PRO 87 0.665 -16.622 -16.878 541 HB2 PRO 87 1HB PRO 87 -1.555 -18.193 -16.576 542 HB3 PRO 87 2HB PRO 87 -0.243 -18.167 -15.371 543 HG2 PRO 87 1HG PRO 87 -2.900 -16.690 -15.321 544 HG3 PRO 87 2HG PRO 87 -2.098 -17.600 -14.017 545 HD2 PRO 87 1HD PRO 87 -1.940 -14.883 -14.137 546 HD3 PRO 87 2HD PRO 87 -0.590 -15.849 -13.510 547 H LYS 88 H LYS 88 -0.012 -17.199 -19.016 548 HA LYS 88 HA LYS 88 -1.550 -15.178 -20.459 549 HB2 LYS 88 1HB LYS 88 -0.165 -17.780 -21.386 550 HB3 LYS 88 2HB LYS 88 -0.953 -16.645 -22.494 551 HG2 LYS 88 1HG LYS 88 0.658 -14.810 -21.777 552 HG3 LYS 88 2HG LYS 88 1.446 -15.935 -20.662 553 HD2 LYS 88 1HD LYS 88 2.172 -17.385 -22.636 554 HD3 LYS 88 2HD LYS 88 1.380 -16.269 -23.750 555 HE2 LYS 88 1HE LYS 88 2.979 -14.432 -23.061 556 HE3 LYS 88 2HE LYS 88 3.765 -15.537 -21.927 557 HZ1 LYS 88 3HZ LYS 88 4.657 -16.779 -23.625 558 HZ2 LYS 88 1HZ LYS 88 4.736 -15.212 -24.269 559 HZ3 LYS 88 2HZ LYS 88 3.508 -16.273 -24.771 Start of MODEL 2 1 H GLY 13 1H GLY 13 2.286 21.149 5.012 2 HA2 GLY 13 1HA GLY 13 3.023 22.969 6.696 3 HA3 GLY 13 2HA GLY 13 1.370 23.535 6.455 4 H VAL 14 H VAL 14 0.321 20.846 5.888 5 HA VAL 14 HA VAL 14 0.444 19.533 8.578 6 HB VAL 14 HB VAL 14 -2.015 20.110 6.791 7 HG11 VAL 14 1HG1 VAL 14 -1.839 18.176 9.195 8 HG12 VAL 14 2HG1 VAL 14 -2.437 17.823 7.571 9 HG13 VAL 14 3HG1 VAL 14 -3.373 18.856 8.642 10 HG21 VAL 14 3HG2 VAL 14 -1.367 22.012 8.351 11 HG22 VAL 14 1HG2 VAL 14 -1.459 20.920 9.740 12 HG23 VAL 14 2HG2 VAL 14 -2.913 21.318 8.826 13 H ASP 15 H ASP 15 0.876 17.403 8.569 14 HA ASP 15 HA ASP 15 1.574 15.998 6.114 15 HB2 ASP 15 1HB ASP 15 2.294 14.148 7.646 16 HB3 ASP 15 2HB ASP 15 2.951 15.697 8.167 17 H ASN 16 H ASN 16 0.631 14.067 5.301 18 HA ASN 16 HA ASN 16 -2.303 13.809 5.673 19 HB2 ASN 16 1HB ASN 16 -1.315 14.150 3.373 20 HB3 ASN 16 2HB ASN 16 -0.446 12.635 3.535 21 HD21 ASN 16 2HD2 ASN 16 -2.277 12.940 1.399 22 HD22 ASN 16 1HD2 ASN 16 -3.626 11.953 1.663 23 H LYS 17 H LYS 17 -2.787 12.496 7.347 24 HA LYS 17 HA LYS 17 -1.288 10.332 8.428 25 HB2 LYS 17 1HB LYS 17 -4.299 11.037 8.596 26 HB3 LYS 17 2HB LYS 17 -3.491 9.863 9.641 27 HG2 LYS 17 1HG LYS 17 -1.972 11.653 10.543 28 HG3 LYS 17 2HG LYS 17 -2.731 12.844 9.504 29 HD2 LYS 17 1HD LYS 17 -4.951 12.497 10.726 30 HD3 LYS 17 2HD LYS 17 -4.175 11.319 11.786 31 HE2 LYS 17 1HE LYS 17 -2.642 13.150 12.662 32 HE3 LYS 17 2HE LYS 17 -3.406 14.301 11.599 33 HZ1 LYS 17 3HZ LYS 17 -5.440 14.059 12.742 34 HZ2 LYS 17 1HZ LYS 17 -4.231 14.301 13.905 35 HZ3 LYS 17 2HZ LYS 17 -4.864 12.744 13.653 36 H PHE 18 H PHE 18 -4.129 10.205 6.182 37 HA PHE 18 HA PHE 18 -3.320 7.854 4.779 38 HB2 PHE 18 1HB PHE 18 -5.078 6.231 5.676 39 HB3 PHE 18 2HB PHE 18 -3.977 6.614 6.971 40 HD1 PHE 18 HD2 PHE 18 -4.805 8.105 8.873 41 HD2 PHE 18 HD1 PHE 18 -7.518 6.849 5.722 42 HE1 PHE 18 HE2 PHE 18 -6.729 8.896 10.205 43 HE2 PHE 18 HE1 PHE 18 -9.429 7.646 7.082 44 HZ PHE 18 HZ PHE 18 -9.043 8.670 9.317 45 H ASN 19 H ASN 19 -4.340 9.232 2.609 46 HA ASN 19 HA ASN 19 -6.878 10.131 3.728 47 HB2 ASN 19 1HB ASN 19 -7.000 11.540 1.646 48 HB3 ASN 19 2HB ASN 19 -5.476 11.735 2.475 49 HD21 ASN 19 2HD2 ASN 19 -4.860 12.532 0.131 50 HD22 ASN 19 1HD2 ASN 19 -4.302 11.346 -0.948 51 H LYS 20 H LYS 20 -8.327 10.185 1.274 52 HA LYS 20 HA LYS 20 -9.347 7.470 1.294 53 HB2 LYS 20 1HB LYS 20 -11.205 8.410 -0.099 54 HB3 LYS 20 2HB LYS 20 -10.942 9.371 1.356 55 HG2 LYS 20 1HG LYS 20 -9.604 11.074 -0.056 56 HG3 LYS 20 2HG LYS 20 -9.971 10.127 -1.497 57 HD2 LYS 20 1HD LYS 20 -12.440 10.555 -1.186 58 HD3 LYS 20 2HD LYS 20 -12.103 11.500 0.266 59 HE2 LYS 20 1HE LYS 20 -10.819 13.185 -1.130 60 HE3 LYS 20 2HE LYS 20 -11.162 12.240 -2.586 61 HZ1 LYS 20 3HZ LYS 20 -12.875 14.004 -1.076 62 HZ2 LYS 20 1HZ LYS 20 -13.609 12.542 -1.522 63 HZ3 LYS 20 2HZ LYS 20 -12.938 13.552 -2.712 64 H GLU 21 H GLU 21 -8.006 9.706 -1.137 65 HA GLU 21 HA GLU 21 -8.093 8.074 -3.369 66 HB2 GLU 21 1HB GLU 21 -7.393 10.491 -3.389 67 HB3 GLU 21 2HB GLU 21 -5.866 10.054 -2.622 68 HG2 GLU 21 1HG GLU 21 -5.220 8.673 -4.663 69 HG3 GLU 21 2HG GLU 21 -6.759 9.057 -5.426 70 H GLN 22 H GLN 22 -5.966 7.922 -0.605 71 HA GLN 22 HA GLN 22 -4.109 6.082 -1.852 72 HB2 GLN 22 1HB GLN 22 -3.022 7.340 -0.162 73 HB3 GLN 22 2HB GLN 22 -4.450 7.411 0.859 74 HG2 GLN 22 1HG GLN 22 -2.853 6.024 1.987 75 HG3 GLN 22 2HG GLN 22 -4.093 4.948 1.452 76 HE21 GLN 22 2HE2 GLN 22 -3.368 3.134 0.419 77 HE22 GLN 22 1HE2 GLN 22 -1.837 2.941 -0.260 78 H GLN 23 H GLN 23 -6.380 5.842 0.899 79 HA GLN 23 HA GLN 23 -6.228 3.144 1.399 80 HB2 GLN 23 1HB GLN 23 -7.654 4.741 2.752 81 HB3 GLN 23 2HB GLN 23 -8.826 4.788 1.436 82 HG2 GLN 23 1HG GLN 23 -9.356 2.333 1.745 83 HG3 GLN 23 2HG GLN 23 -8.068 2.180 2.943 84 HE21 GLN 23 2HE2 GLN 23 -10.716 1.407 3.619 85 HE22 GLN 23 1HE2 GLN 23 -11.343 2.509 4.749 86 H ASN 24 H ASN 24 -8.081 4.782 -1.131 87 HA ASN 24 HA ASN 24 -9.545 2.576 -2.067 88 HB2 ASN 24 1HB ASN 24 -8.586 5.154 -3.394 89 HB3 ASN 24 2HB ASN 24 -9.530 3.969 -4.296 90 HD21 ASN 24 2HD2 ASN 24 -10.562 6.598 -3.819 91 HD22 ASN 24 1HD2 ASN 24 -11.893 6.478 -2.773 92 H ALA 25 H ALA 25 -6.376 3.837 -3.088 93 HA ALA 25 HA ALA 25 -5.926 1.821 -5.052 94 HB1 ALA 25 3HB ALA 25 -4.626 3.771 -5.376 95 HB2 ALA 25 1HB ALA 25 -3.441 2.733 -4.582 96 HB3 ALA 25 2HB ALA 25 -4.312 3.947 -3.667 97 H PHE 26 H PHE 26 -5.163 2.128 -1.626 98 HA PHE 26 HA PHE 26 -3.347 0.021 -1.351 99 HB2 PHE 26 1HB PHE 26 -3.870 1.539 0.580 100 HB3 PHE 26 2HB PHE 26 -5.495 0.948 0.628 101 HD1 PHE 26 HD2 PHE 26 -1.912 -0.247 1.032 102 HD2 PHE 26 HD1 PHE 26 -6.075 -1.001 2.021 103 HE1 PHE 26 HE2 PHE 26 -1.294 -2.059 2.579 104 HE2 PHE 26 HE1 PHE 26 -5.394 -2.818 3.554 105 HZ PHE 26 HZ PHE 26 -2.982 -3.360 3.829 106 H TYR 27 H TYR 27 -6.876 0.014 -1.462 107 HA TYR 27 HA TYR 27 -7.186 -2.741 -0.776 108 HB2 TYR 27 1HB TYR 27 -8.998 -0.579 -1.804 109 HB3 TYR 27 2HB TYR 27 -9.519 -2.229 -2.077 110 HD1 TYR 27 HD1 TYR 27 -8.227 0.014 0.768 111 HD2 TYR 27 HD2 TYR 27 -10.726 -3.366 -0.305 112 HE1 TYR 27 HE1 TYR 27 -9.068 -0.150 3.106 113 HE2 TYR 27 HE2 TYR 27 -11.533 -3.486 2.031 114 HH TYR 27 HH TYR 27 -10.062 -1.735 4.595 115 H GLU 28 H GLU 28 -7.069 -0.966 -3.850 116 HA GLU 28 HA GLU 28 -7.643 -3.050 -5.602 117 HB2 GLU 28 1HB GLU 28 -7.462 -0.601 -6.193 118 HB3 GLU 28 2HB GLU 28 -5.733 -0.810 -6.120 119 HG2 GLU 28 1HG GLU 28 -6.408 -1.053 -8.516 120 HG3 GLU 28 2HG GLU 28 -5.885 -2.638 -7.979 121 H ILE 29 H ILE 29 -4.527 -2.091 -4.193 122 HA ILE 29 HA ILE 29 -2.963 -4.021 -5.562 123 HB ILE 29 HB ILE 29 -2.502 -2.452 -2.950 124 HG12 ILE 29 1HG1 ILE 29 -1.233 -1.984 -5.727 125 HG13 ILE 29 2HG1 ILE 29 -2.652 -1.128 -5.205 126 HG21 ILE 29 1HG2 ILE 29 -0.439 -4.211 -4.462 127 HG22 ILE 29 2HG2 ILE 29 -0.995 -4.458 -2.805 128 HG23 ILE 29 3HG2 ILE 29 -0.006 -3.070 -3.194 129 HD11 ILE 29 3HD1 ILE 29 -1.469 0.239 -3.783 130 HD12 ILE 29 1HD1 ILE 29 -0.192 -0.100 -4.936 131 HD13 ILE 29 2HD1 ILE 29 -0.233 -0.961 -3.410 132 H LEU 30 H LEU 30 -4.936 -4.137 -2.685 133 HA LEU 30 HA LEU 30 -3.851 -6.655 -1.761 134 HB2 LEU 30 1HB LEU 30 -4.785 -4.896 -0.185 135 HB3 LEU 30 2HB LEU 30 -6.366 -5.145 -0.893 136 HG LEU 30 HG LEU 30 -6.433 -7.532 -0.010 137 HD11 LEU 30 1HD1 LEU 30 -4.199 -8.318 0.081 138 HD12 LEU 30 2HD1 LEU 30 -4.620 -8.152 1.771 139 HD13 LEU 30 3HD1 LEU 30 -3.611 -6.931 0.997 140 HD21 LEU 30 3HD2 LEU 30 -5.822 -5.506 2.221 141 HD22 LEU 30 1HD2 LEU 30 -6.709 -7.027 2.393 142 HD23 LEU 30 2HD2 LEU 30 -7.389 -5.728 1.429 143 H HIS 31 H HIS 31 -5.874 -5.781 -4.254 144 HA HIS 31 HA HIS 31 -7.535 -8.199 -4.083 145 HB2 HIS 31 1HB HIS 31 -8.561 -5.891 -4.608 146 HB3 HIS 31 2HB HIS 31 -7.719 -5.952 -6.147 147 HD1 HIS 31 HD1 HIS 31 -8.615 -7.594 -7.957 148 HD2 HIS 31 HD2 HIS 31 -10.801 -7.744 -4.403 149 HE1 HIS 31 HE1 HIS 31 -10.714 -8.907 -8.465 150 HE2 HIS 31 HE2 HIS 31 -12.060 -9.009 -6.317 151 H LEU 32 H LEU 32 -4.506 -7.438 -5.277 152 HA LEU 32 HA LEU 32 -4.635 -8.578 -7.919 153 HB2 LEU 32 1HB LEU 32 -2.446 -7.836 -6.035 154 HB3 LEU 32 2HB LEU 32 -2.039 -8.700 -7.505 155 HG LEU 32 HG LEU 32 -2.738 -6.843 -8.895 156 HD11 LEU 32 1HD1 LEU 32 -4.354 -5.803 -6.671 157 HD12 LEU 32 2HD1 LEU 32 -4.825 -6.146 -8.326 158 HD13 LEU 32 3HD1 LEU 32 -3.843 -4.736 -7.966 159 HD21 LEU 32 3HD2 LEU 32 -1.397 -4.909 -8.182 160 HD22 LEU 32 1HD2 LEU 32 -0.564 -6.366 -7.681 161 HD23 LEU 32 2HD2 LEU 32 -1.453 -5.442 -6.510 162 HA PRO 33 HA PRO 33 -4.762 -12.926 -6.204 163 HB2 PRO 33 1HB PRO 33 -5.655 -13.817 -8.898 164 HB3 PRO 33 2HB PRO 33 -6.497 -13.929 -7.338 165 HG2 PRO 33 1HG PRO 33 -7.369 -12.241 -9.268 166 HG3 PRO 33 2HG PRO 33 -7.487 -11.825 -7.539 167 HD2 PRO 33 1HD PRO 33 -5.328 -10.927 -9.529 168 HD3 PRO 33 2HD PRO 33 -6.294 -9.957 -8.403 169 H ASN 34 H ASN 34 -3.456 -14.854 -6.569 170 HA ASN 34 HA ASN 34 -1.487 -15.946 -7.050 171 HB2 ASN 34 1HB ASN 34 -2.141 -14.869 -9.885 172 HB3 ASN 34 2HB ASN 34 -0.842 -16.007 -9.579 173 HD21 ASN 34 2HD2 ASN 34 -3.046 -16.669 -11.285 174 HD22 ASN 34 1HD2 ASN 34 -3.933 -17.917 -10.553 175 H LEU 35 H LEU 35 -1.270 -13.446 -5.861 176 HA LEU 35 HA LEU 35 1.066 -12.117 -7.076 177 HB2 LEU 35 1HB LEU 35 -0.918 -10.723 -6.400 178 HB3 LEU 35 2HB LEU 35 -0.679 -11.209 -4.731 179 HG LEU 35 HG LEU 35 1.602 -10.039 -4.753 180 HD11 LEU 35 1HD1 LEU 35 2.015 -8.372 -6.722 181 HD12 LEU 35 2HD1 LEU 35 0.936 -9.406 -7.653 182 HD13 LEU 35 3HD1 LEU 35 2.423 -10.063 -6.962 183 HD21 LEU 35 3HD2 LEU 35 0.819 -7.838 -4.452 184 HD22 LEU 35 1HD2 LEU 35 -0.628 -8.768 -4.139 185 HD23 LEU 35 2HD2 LEU 35 -0.369 -7.972 -5.674 186 H ASN 36 H ASN 36 3.031 -12.306 -6.320 187 HA ASN 36 HA ASN 36 3.741 -14.028 -4.164 188 HB2 ASN 36 1HB ASN 36 5.191 -13.353 -6.318 189 HB3 ASN 36 2HB ASN 36 5.622 -11.935 -5.398 190 HD21 ASN 36 2HD2 ASN 36 7.926 -12.632 -5.286 191 HD22 ASN 36 1HD2 ASN 36 8.403 -13.937 -4.311 192 H GLU 37 H GLU 37 4.276 -13.480 -2.256 193 HA GLU 37 HA GLU 37 3.141 -11.388 -0.735 194 HB2 GLU 37 1HB GLU 37 3.620 -13.689 0.162 195 HB3 GLU 37 2HB GLU 37 5.353 -13.376 0.053 196 HG2 GLU 37 1HG GLU 37 5.125 -11.514 1.783 197 HG3 GLU 37 2HG GLU 37 3.389 -11.798 1.871 198 H GLU 38 H GLU 38 6.500 -12.021 -1.729 199 HA GLU 38 HA GLU 38 7.742 -9.888 -0.440 200 HB2 GLU 38 1HB GLU 38 8.412 -11.235 -3.117 201 HB3 GLU 38 2HB GLU 38 9.474 -10.059 -2.352 202 HG2 GLU 38 1HG GLU 38 10.396 -12.130 -1.599 203 HG3 GLU 38 2HG GLU 38 9.412 -11.665 -0.225 204 H GLN 39 H GLN 39 6.118 -9.989 -3.593 205 HA GLN 39 HA GLN 39 6.728 -7.296 -4.302 206 HB2 GLN 39 1HB GLN 39 4.563 -9.184 -5.351 207 HB3 GLN 39 2HB GLN 39 4.914 -7.618 -6.054 208 HG2 GLN 39 1HG GLN 39 6.932 -9.947 -5.873 209 HG3 GLN 39 2HG GLN 39 6.060 -9.481 -7.328 210 HE21 GLN 39 2HE2 GLN 39 9.086 -9.275 -6.101 211 HE22 GLN 39 1HE2 GLN 39 9.576 -7.772 -6.722 212 H ARG 40 H ARG 40 3.745 -8.830 -3.080 213 HA ARG 40 HA ARG 40 2.099 -6.639 -2.892 214 HB2 ARG 40 1HB ARG 40 1.452 -9.051 -2.323 215 HB3 ARG 40 2HB ARG 40 2.361 -8.918 -0.845 216 HG2 ARG 40 1HG ARG 40 0.831 -7.190 0.011 217 HG3 ARG 40 2HG ARG 40 -0.106 -7.160 -1.474 218 HD2 ARG 40 1HD ARG 40 0.150 -9.598 0.415 219 HD3 ARG 40 2HD ARG 40 -1.232 -8.489 0.386 220 HE ARG 40 HE ARG 40 -0.844 -9.419 -2.249 221 HH11 ARG 40 1HH2 ARG 40 -1.772 -10.740 0.847 222 HH12 ARG 40 2HH2 ARG 40 -2.753 -11.988 0.155 223 HH21 ARG 40 1HH1 ARG 40 -2.124 -11.054 -3.120 224 HH22 ARG 40 2HH1 ARG 40 -2.950 -12.166 -2.079 225 H ASN 41 H ASN 41 4.350 -7.778 -0.366 226 HA ASN 41 HA ASN 41 3.911 -5.751 1.495 227 HB2 ASN 41 1HB ASN 41 6.369 -7.466 0.902 228 HB3 ASN 41 2HB ASN 41 6.344 -6.320 2.243 229 HD21 ASN 41 2HD2 ASN 41 6.607 -9.145 2.708 230 HD22 ASN 41 1HD2 ASN 41 5.209 -9.687 3.504 231 H ALA 42 H ALA 42 6.738 -5.916 -0.682 232 HA ALA 42 HA ALA 42 7.841 -3.479 -0.363 233 HB1 ALA 42 3HB ALA 42 8.587 -3.570 -2.752 234 HB2 ALA 42 1HB ALA 42 7.356 -4.795 -3.091 235 HB3 ALA 42 2HB ALA 42 8.689 -5.166 -2.003 236 H PHE 43 H PHE 43 5.064 -4.118 -2.506 237 HA PHE 43 HA PHE 43 4.683 -1.387 -3.226 238 HB2 PHE 43 1HB PHE 43 2.816 -3.766 -3.475 239 HB3 PHE 43 2HB PHE 43 2.416 -2.164 -4.078 240 HD1 PHE 43 HD2 PHE 43 4.714 -1.082 -5.494 241 HD2 PHE 43 HD1 PHE 43 3.544 -5.258 -5.289 242 HE1 PHE 43 HE2 PHE 43 5.946 -1.533 -7.559 243 HE2 PHE 43 HE1 PHE 43 4.780 -5.643 -7.389 244 HZ PHE 43 HZ PHE 43 5.971 -3.798 -8.531 245 H ILE 44 H ILE 44 3.101 -3.523 -0.861 246 HA ILE 44 HA ILE 44 1.205 -1.675 0.084 247 HB ILE 44 HB ILE 44 2.369 -4.192 1.235 248 HG12 ILE 44 1HG1 ILE 44 -0.458 -3.397 0.348 249 HG13 ILE 44 2HG1 ILE 44 0.567 -4.623 -0.356 250 HG21 ILE 44 1HG2 ILE 44 0.840 -4.033 3.293 251 HG22 ILE 44 2HG2 ILE 44 0.725 -2.319 2.967 252 HG23 ILE 44 3HG2 ILE 44 2.282 -3.038 3.331 253 HD11 ILE 44 3HD1 ILE 44 -1.120 -5.793 0.889 254 HD12 ILE 44 1HD1 ILE 44 -0.969 -4.728 2.270 255 HD13 ILE 44 2HD1 ILE 44 0.304 -5.902 1.931 256 H GLN 45 H GLN 45 4.557 -2.285 1.021 257 HA GLN 45 HA GLN 45 4.617 -0.649 3.320 258 HB2 GLN 45 1HB GLN 45 6.843 -1.501 1.403 259 HB3 GLN 45 2HB GLN 45 7.166 -0.575 2.869 260 HG2 GLN 45 1HG GLN 45 6.267 -2.454 4.282 261 HG3 GLN 45 2HG GLN 45 5.837 -3.373 2.850 262 HE21 GLN 45 2HE2 GLN 45 7.414 -4.908 4.268 263 HE22 GLN 45 1HE2 GLN 45 9.054 -4.845 3.835 264 H SER 46 H SER 46 5.656 0.056 -0.024 265 HA SER 46 HA SER 46 6.406 2.695 0.276 266 HB2 SER 46 1HB SER 46 5.925 2.912 -2.141 267 HB3 SER 46 2HB SER 46 6.789 1.426 -1.772 268 HG SER 46 HG SER 46 4.900 0.292 -1.933 269 H LEU 47 H LEU 47 3.172 1.334 0.060 270 HA LEU 47 HA LEU 47 1.787 3.797 -0.288 271 HB2 LEU 47 1HB LEU 47 1.017 0.994 0.621 272 HB3 LEU 47 2HB LEU 47 -0.173 2.265 0.618 273 HG LEU 47 HG LEU 47 -0.041 0.774 -1.522 274 HD11 LEU 47 1HD1 LEU 47 -0.236 2.819 -3.113 275 HD12 LEU 47 2HD1 LEU 47 -0.048 3.778 -1.667 276 HD13 LEU 47 3HD1 LEU 47 -1.383 2.653 -1.809 277 HD21 LEU 47 3HD2 LEU 47 2.529 0.968 -1.607 278 HD22 LEU 47 1HD2 LEU 47 2.296 2.500 -2.373 279 HD23 LEU 47 2HD2 LEU 47 1.690 1.021 -3.098 280 H LYS 48 H LYS 48 3.461 2.492 2.341 281 HA LYS 48 HA LYS 48 1.891 4.053 4.292 282 HB2 LYS 48 1HB LYS 48 2.227 1.664 4.890 283 HB3 LYS 48 2HB LYS 48 3.952 1.768 4.643 284 HG2 LYS 48 1HG LYS 48 4.126 3.377 6.624 285 HG3 LYS 48 2HG LYS 48 2.386 3.247 6.858 286 HD2 LYS 48 1HD LYS 48 2.691 0.781 7.401 287 HD3 LYS 48 2HD LYS 48 4.402 0.899 7.094 288 HE2 LYS 48 1HE LYS 48 3.948 0.969 9.559 289 HE3 LYS 48 2HE LYS 48 4.638 2.505 9.036 290 HZ1 LYS 48 3HZ LYS 48 1.860 1.872 9.790 291 HZ2 LYS 48 1HZ LYS 48 2.193 3.198 8.791 292 HZ3 LYS 48 2HZ LYS 48 2.869 3.123 10.336 293 H ASP 49 H ASP 49 5.135 3.640 2.915 294 HA ASP 49 HA ASP 49 6.640 5.061 4.793 295 HB2 ASP 49 1HB ASP 49 7.183 4.440 1.861 296 HB3 ASP 49 2HB ASP 49 8.405 5.199 2.867 297 H ASP 50 H ASP 50 4.479 6.663 2.739 298 HA ASP 50 HA ASP 50 5.891 9.026 1.969 299 HB2 ASP 50 1HB ASP 50 2.936 8.462 2.520 300 HB3 ASP 50 2HB ASP 50 3.491 10.001 1.867 301 H SER 51 H SER 51 4.007 8.452 5.036 302 HA SER 51 HA SER 51 5.566 10.410 6.568 303 HB2 SER 51 1HB SER 51 3.489 11.709 7.358 304 HB3 SER 51 2HB SER 51 3.905 12.007 5.667 305 HG SER 51 HG SER 51 2.090 11.118 5.099 306 H TYR 52 H TYR 52 5.012 9.967 9.176 307 HA TYR 52 HA TYR 52 3.909 7.157 9.464 308 HB2 TYR 52 1HB TYR 52 6.225 8.626 10.787 309 HB3 TYR 52 2HB TYR 52 5.763 6.986 11.219 310 HD1 TYR 52 HD1 TYR 52 5.974 5.091 9.411 311 HD2 TYR 52 HD2 TYR 52 7.521 9.100 8.692 312 HE1 TYR 52 HE1 TYR 52 7.372 4.253 7.522 313 HE2 TYR 52 HE2 TYR 52 8.895 8.215 6.827 314 HH TYR 52 HH TYR 52 8.913 6.321 5.285 315 H ILE 53 H ILE 53 1.699 6.998 11.251 316 HA ILE 53 HA ILE 53 2.511 8.787 13.443 317 HB ILE 53 HB ILE 53 1.058 10.033 11.913 318 HG12 ILE 53 1HG1 ILE 53 -0.536 9.310 14.421 319 HG13 ILE 53 2HG1 ILE 53 0.891 10.345 14.408 320 HG21 ILE 53 1HG2 ILE 53 -1.188 9.362 11.309 321 HG22 ILE 53 2HG2 ILE 53 -1.130 7.942 12.359 322 HG23 ILE 53 3HG2 ILE 53 -0.124 8.021 10.907 323 HD11 ILE 53 3HD1 ILE 53 -1.742 10.898 12.952 324 HD12 ILE 53 1HD1 ILE 53 -0.284 11.905 12.816 325 HD13 ILE 53 2HD1 ILE 53 -1.104 11.725 14.376 326 H ASP 54 H ASP 54 2.371 7.776 15.349 327 HA ASP 54 HA ASP 54 1.009 5.265 15.626 328 HB2 ASP 54 1HB ASP 54 2.958 5.384 16.910 329 HB3 ASP 54 2HB ASP 54 2.596 7.009 17.487 330 H THR 55 H THR 55 -1.085 6.312 14.965 331 HA THR 55 HA THR 55 -2.440 8.069 16.506 332 HB THR 55 HB THR 55 -4.508 7.395 15.436 333 HG1 THR 55 HG1 THR 55 -3.746 5.275 14.062 334 HG21 THR 55 3HG2 THR 55 -2.886 6.657 13.163 335 HG22 THR 55 1HG2 THR 55 -2.094 7.934 14.085 336 HG23 THR 55 2HG2 THR 55 -3.732 8.172 13.474 337 H ASN 56 H ASN 56 -2.405 4.608 17.055 338 HA ASN 56 HA ASN 56 -4.308 5.037 19.137 339 HB2 ASN 56 1HB ASN 56 -2.860 2.461 18.526 340 HB3 ASN 56 2HB ASN 56 -4.428 2.670 19.303 341 HD21 ASN 56 2HD2 ASN 56 -5.056 4.872 17.226 342 HD22 ASN 56 1HD2 ASN 56 -5.489 4.001 15.836 343 H ASN 57 H ASN 57 -1.285 5.680 19.122 344 HA ASN 57 HA ASN 57 0.351 6.002 20.718 345 HB2 ASN 57 1HB ASN 57 -1.940 7.014 21.618 346 HB3 ASN 57 2HB ASN 57 -1.679 5.830 22.898 347 HD21 ASN 57 2HD2 ASN 57 0.761 7.747 21.076 348 HD22 ASN 57 1HD2 ASN 57 1.401 8.512 22.448 349 H ASP 58 H ASP 58 0.551 3.360 20.048 350 HA ASP 58 HA ASP 58 0.929 2.248 22.733 351 HB2 ASP 58 1HB ASP 58 0.753 -0.042 21.750 352 HB3 ASP 58 2HB ASP 58 -0.748 0.876 21.656 353 H GLY 59 H GLY 59 2.729 3.612 20.545 354 HA2 GLY 59 1HA GLY 59 5.031 3.555 20.506 355 HA3 GLY 59 2HA GLY 59 5.071 2.057 21.430 356 H ALA 60 H ALA 60 3.075 1.742 18.819 357 HA ALA 60 HA ALA 60 5.234 0.992 17.091 358 HB1 ALA 60 3HB ALA 60 3.709 -0.964 18.351 359 HB2 ALA 60 1HB ALA 60 4.771 -1.202 16.961 360 HB3 ALA 60 2HB ALA 60 3.050 -0.895 16.716 361 H TYR 61 H TYR 61 4.580 0.696 14.777 362 HA TYR 61 HA TYR 61 2.253 2.437 13.949 363 HB2 TYR 61 1HB TYR 61 4.672 1.483 12.399 364 HB3 TYR 61 2HB TYR 61 3.439 2.612 11.839 365 HD1 TYR 61 HD2 TYR 61 2.979 4.397 14.048 366 HD2 TYR 61 HD1 TYR 61 6.672 2.645 12.729 367 HE1 TYR 61 HE2 TYR 61 4.234 6.276 15.068 368 HE2 TYR 61 HE1 TYR 61 7.927 4.524 13.752 369 HH TYR 61 HH TYR 61 7.208 6.268 15.886 370 H GLU 62 H GLU 62 0.518 1.069 13.547 371 HA GLU 62 HA GLU 62 1.044 -1.349 11.974 372 HB2 GLU 62 1HB GLU 62 0.176 -2.915 13.519 373 HB3 GLU 62 2HB GLU 62 1.247 -1.890 14.476 374 HG2 GLU 62 1HG GLU 62 -1.760 -1.928 14.398 375 HG3 GLU 62 2HG GLU 62 -0.686 -1.961 15.797 376 H GLY 63 H GLY 63 -0.990 -2.563 11.503 377 HA2 GLY 63 1HA GLY 63 -2.890 -2.513 10.276 378 HA3 GLY 63 2HA GLY 63 -3.554 -1.963 11.811 379 H ASP 64 H ASP 64 -4.873 -0.319 11.604 380 HA ASP 64 HA ASP 64 -5.211 1.019 9.154 381 HB2 ASP 64 1HB ASP 64 -7.030 0.909 10.716 382 HB3 ASP 64 2HB ASP 64 -6.109 1.783 11.937 383 H GLU 65 H GLU 65 -2.828 1.562 11.498 384 HA GLU 65 HA GLU 65 -2.421 4.389 11.028 385 HB2 GLU 65 1HB GLU 65 -1.057 2.194 12.463 386 HB3 GLU 65 2HB GLU 65 -0.101 3.598 11.978 387 HG2 GLU 65 1HG GLU 65 -0.913 4.450 13.956 388 HG3 GLU 65 2HG GLU 65 -2.210 4.949 12.938 389 H LEU 66 H LEU 66 -1.844 1.441 9.242 390 HA LEU 66 HA LEU 66 0.607 2.161 8.112 391 HB2 LEU 66 1HB LEU 66 0.884 0.019 7.593 392 HB3 LEU 66 2HB LEU 66 -0.525 -0.263 8.557 393 HG LEU 66 HG LEU 66 -0.582 0.131 5.492 394 HD11 LEU 66 1HD1 LEU 66 0.643 -1.898 5.841 395 HD12 LEU 66 2HD1 LEU 66 -0.971 -2.290 5.274 396 HD13 LEU 66 3HD1 LEU 66 -0.570 -2.512 6.979 397 HD21 LEU 66 3HD2 LEU 66 -2.840 -1.136 7.091 398 HD22 LEU 66 1HD2 LEU 66 -2.882 -0.398 5.500 399 HD23 LEU 66 2HD2 LEU 66 -2.774 0.625 6.916 400 H SER 67 H SER 67 -2.237 3.658 6.763 401 HA SER 67 HA SER 67 -1.536 3.361 3.869 402 HB2 SER 67 1HB SER 67 -3.687 4.640 5.451 403 HB3 SER 67 2HB SER 67 -3.546 5.150 3.817 404 HG SER 67 HG SER 67 -4.872 3.177 4.594 405 H GLY 68 H GLY 68 -0.946 5.160 2.289 406 HA2 GLY 68 1HA GLY 68 0.579 7.455 3.482 407 HA3 GLY 68 2HA GLY 68 0.952 6.724 1.945 408 H SER 69 H SER 69 0.705 8.266 0.457 409 HA SER 69 HA SER 69 -1.898 9.626 0.083 410 HB2 SER 69 1HB SER 69 -0.895 11.874 0.050 411 HB3 SER 69 2HB SER 69 -0.440 11.108 1.563 412 HG SER 69 HG SER 69 1.217 12.194 0.081 413 H GLN 70 H GLN 70 1.491 9.439 -1.090 414 HA GLN 70 HA GLN 70 0.931 10.083 -3.861 415 HB2 GLN 70 1HB GLN 70 3.398 8.744 -2.573 416 HB3 GLN 70 2HB GLN 70 3.360 9.397 -4.209 417 HG2 GLN 70 1HG GLN 70 3.035 11.071 -1.640 418 HG3 GLN 70 2HG GLN 70 4.499 10.964 -2.597 419 HE21 GLN 70 2HE2 GLN 70 2.089 13.097 -2.041 420 HE22 GLN 70 1HE2 GLN 70 1.972 13.842 -3.562 421 H SER 71 H SER 71 -0.655 7.888 -2.836 422 HA SER 71 HA SER 71 0.222 5.366 -3.562 423 HB2 SER 71 1HB SER 71 -2.161 4.736 -3.340 424 HB3 SER 71 2HB SER 71 -1.601 5.728 -2.038 425 HG SER 71 HG SER 71 -2.600 7.465 -2.902 426 H ALA 72 H ALA 72 -1.367 7.768 -5.616 427 HA ALA 72 HA ALA 72 -2.520 6.125 -7.521 428 HB1 ALA 72 3HB ALA 72 -2.787 8.619 -7.496 429 HB2 ALA 72 1HB ALA 72 -2.300 8.091 -9.110 430 HB3 ALA 72 2HB ALA 72 -1.120 8.838 -8.024 431 H ASN 73 H ASN 73 0.861 7.268 -7.462 432 HA ASN 73 HA ASN 73 1.650 6.143 -9.935 433 HB2 ASN 73 1HB ASN 73 3.194 7.109 -7.483 434 HB3 ASN 73 2HB ASN 73 4.032 6.421 -8.880 435 HD21 ASN 73 2HD2 ASN 73 4.424 9.166 -8.116 436 HD22 ASN 73 1HD2 ASN 73 3.783 10.160 -9.333 437 H LEU 74 H LEU 74 2.002 4.975 -6.588 438 HA LEU 74 HA LEU 74 3.343 2.576 -7.197 439 HB2 LEU 74 1HB LEU 74 1.667 3.464 -4.851 440 HB3 LEU 74 2HB LEU 74 2.256 1.818 -4.986 441 HG LEU 74 HG LEU 74 3.812 3.311 -3.593 442 HD11 LEU 74 1HD1 LEU 74 5.956 2.555 -4.555 443 HD12 LEU 74 2HD1 LEU 74 5.191 2.208 -6.085 444 HD13 LEU 74 3HD1 LEU 74 4.756 1.288 -4.663 445 HD21 LEU 74 3HD2 LEU 74 3.445 5.421 -5.017 446 HD22 LEU 74 1HD2 LEU 74 4.660 4.773 -6.120 447 HD23 LEU 74 2HD2 LEU 74 5.070 5.115 -4.438 448 H LEU 75 H LEU 75 -0.117 3.311 -6.891 449 HA LEU 75 HA LEU 75 -1.125 0.717 -7.174 450 HB2 LEU 75 1HB LEU 75 -2.656 2.490 -6.578 451 HB3 LEU 75 2HB LEU 75 -2.242 3.459 -7.959 452 HG LEU 75 HG LEU 75 -3.393 1.733 -9.482 453 HD11 LEU 75 1HD1 LEU 75 -3.221 -0.328 -8.241 454 HD12 LEU 75 2HD1 LEU 75 -4.882 0.072 -8.473 455 HD13 LEU 75 3HD1 LEU 75 -4.158 0.335 -6.899 456 HD21 LEU 75 3HD2 LEU 75 -5.630 2.465 -9.145 457 HD22 LEU 75 1HD2 LEU 75 -4.669 3.780 -8.482 458 HD23 LEU 75 2HD2 LEU 75 -5.443 2.623 -7.410 459 H ALA 76 H ALA 76 -0.648 3.195 -9.702 460 HA ALA 76 HA ALA 76 -1.368 1.598 -11.889 461 HB1 ALA 76 3HB ALA 76 -1.117 4.085 -12.026 462 HB2 ALA 76 1HB ALA 76 -0.149 3.293 -13.277 463 HB3 ALA 76 2HB ALA 76 0.626 3.926 -11.818 464 H GLU 77 H GLU 77 1.616 1.821 -10.075 465 HA GLU 77 HA GLU 77 3.224 0.400 -11.984 466 HB2 GLU 77 1HB GLU 77 4.224 2.016 -10.338 467 HB3 GLU 77 2HB GLU 77 3.798 0.912 -9.039 468 HG2 GLU 77 1HG GLU 77 5.344 -0.863 -9.995 469 HG3 GLU 77 2HG GLU 77 5.732 0.201 -11.343 470 H ALA 78 H ALA 78 1.988 -0.502 -8.753 471 HA ALA 78 HA ALA 78 2.679 -3.191 -8.806 472 HB1 ALA 78 3HB ALA 78 0.196 -1.976 -7.537 473 HB2 ALA 78 1HB ALA 78 1.788 -1.971 -6.790 474 HB3 ALA 78 2HB ALA 78 0.943 -3.503 -7.053 475 H LYS 79 H LYS 79 -0.157 -1.573 -10.158 476 HA LYS 79 HA LYS 79 -1.549 -3.945 -10.894 477 HB2 LYS 79 1HB LYS 79 -2.644 -1.686 -10.629 478 HB3 LYS 79 2HB LYS 79 -1.788 -1.111 -12.057 479 HG2 LYS 79 1HG LYS 79 -3.034 -2.809 -13.495 480 HG3 LYS 79 2HG LYS 79 -3.866 -3.427 -12.064 481 HD2 LYS 79 1HD LYS 79 -4.989 -1.154 -11.743 482 HD3 LYS 79 2HD LYS 79 -4.160 -0.550 -13.182 483 HE2 LYS 79 1HE LYS 79 -6.373 -1.144 -13.963 484 HE3 LYS 79 2HE LYS 79 -5.387 -2.507 -14.485 485 HZ1 LYS 79 3HZ LYS 79 -7.405 -2.350 -12.384 486 HZ2 LYS 79 1HZ LYS 79 -6.071 -3.350 -12.079 487 HZ3 LYS 79 2HZ LYS 79 -7.038 -3.623 -13.449 488 H LYS 80 H LYS 80 0.856 -1.922 -12.481 489 HA LYS 80 HA LYS 80 0.621 -3.043 -15.077 490 HB2 LYS 80 1HB LYS 80 1.789 -0.861 -14.648 491 HB3 LYS 80 2HB LYS 80 3.096 -1.721 -13.846 492 HG2 LYS 80 1HG LYS 80 3.648 -2.933 -16.018 493 HG3 LYS 80 2HG LYS 80 2.300 -2.126 -16.823 494 HD2 LYS 80 1HD LYS 80 3.463 0.122 -16.474 495 HD3 LYS 80 2HD LYS 80 4.806 -0.702 -15.675 496 HE2 LYS 80 1HE LYS 80 5.339 -1.931 -17.824 497 HE3 LYS 80 2HE LYS 80 3.980 -1.130 -18.623 498 HZ1 LYS 80 3HZ LYS 80 5.514 0.368 -19.169 499 HZ2 LYS 80 1HZ LYS 80 6.596 -0.111 -17.954 500 HZ3 LYS 80 2HZ LYS 80 5.323 0.951 -17.585 501 H LEU 81 H LEU 81 2.497 -3.925 -12.223 502 HA LEU 81 HA LEU 81 4.037 -5.952 -13.554 503 HB2 LEU 81 1HB LEU 81 4.846 -4.778 -11.469 504 HB3 LEU 81 2HB LEU 81 3.611 -5.620 -10.544 505 HG LEU 81 HG LEU 81 4.656 -7.883 -11.305 506 HD11 LEU 81 1HD1 LEU 81 5.838 -7.343 -13.347 507 HD12 LEU 81 2HD1 LEU 81 7.058 -7.823 -12.194 508 HD13 LEU 81 3HD1 LEU 81 6.825 -6.112 -12.559 509 HD21 LEU 81 3HD2 LEU 81 6.409 -6.018 -9.652 510 HD22 LEU 81 1HD2 LEU 81 6.754 -7.733 -9.859 511 HD23 LEU 81 2HD2 LEU 81 5.262 -7.234 -9.095 512 H ASN 82 H ASN 82 1.572 -6.229 -10.982 513 HA ASN 82 HA ASN 82 1.117 -8.907 -10.985 514 HB2 ASN 82 1HB ASN 82 -0.086 -7.419 -9.515 515 HB3 ASN 82 2HB ASN 82 -0.986 -6.707 -10.848 516 HD21 ASN 82 2HD2 ASN 82 -3.070 -7.608 -11.030 517 HD22 ASN 82 1HD2 ASN 82 -3.519 -9.179 -10.570 518 H ASP 83 H ASP 83 0.315 -6.663 -13.516 519 HA ASP 83 HA ASP 83 -1.358 -8.605 -14.918 520 HB2 ASP 83 1HB ASP 83 -0.579 -5.714 -15.544 521 HB3 ASP 83 2HB ASP 83 -1.528 -6.701 -16.654 522 H ALA 84 H ALA 84 1.827 -7.113 -15.139 523 HA ALA 84 HA ALA 84 2.453 -8.329 -17.681 524 HB1 ALA 84 3HB ALA 84 3.508 -6.167 -17.048 525 HB2 ALA 84 1HB ALA 84 4.736 -7.398 -17.344 526 HB3 ALA 84 2HB ALA 84 4.313 -6.951 -15.696 527 H GLN 85 H GLN 85 2.796 -9.148 -14.313 528 HA GLN 85 HA GLN 85 4.492 -11.459 -14.995 529 HB2 GLN 85 1HB GLN 85 5.249 -9.870 -13.158 530 HB3 GLN 85 2HB GLN 85 3.796 -10.257 -12.254 531 HG2 GLN 85 1HG GLN 85 5.711 -11.556 -11.318 532 HG3 GLN 85 2HG GLN 85 4.597 -12.692 -12.045 533 HE21 GLN 85 2HE2 GLN 85 6.055 -14.339 -12.771 534 HE22 GLN 85 1HE2 GLN 85 7.366 -14.054 -13.809 535 H ALA 86 H ALA 86 1.551 -11.176 -15.524 536 HA ALA 86 HA ALA 86 0.478 -13.278 -13.765 537 HB1 ALA 86 3HB ALA 86 -1.620 -12.505 -15.459 538 HB2 ALA 86 1HB ALA 86 -0.718 -11.029 -15.222 539 HB3 ALA 86 2HB ALA 86 -1.353 -11.888 -13.835 540 HA PRO 87 HA PRO 87 0.736 -16.473 -16.881 541 HB2 PRO 87 1HB PRO 87 -2.179 -17.205 -16.606 542 HB3 PRO 87 2HB PRO 87 -0.737 -18.208 -16.323 543 HG2 PRO 87 1HG PRO 87 -2.195 -17.319 -14.245 544 HG3 PRO 87 2HG PRO 87 -0.419 -17.377 -14.143 545 HD2 PRO 87 1HD PRO 87 -2.185 -14.945 -14.663 546 HD3 PRO 87 2HD PRO 87 -0.773 -15.116 -13.589 547 H LYS 88 H LYS 88 0.457 -16.798 -19.124 548 HA LYS 88 HA LYS 88 0.037 -16.224 -21.308 549 HB2 LYS 88 1HB LYS 88 -2.824 -15.896 -20.169 550 HB3 LYS 88 2HB LYS 88 -2.460 -15.878 -21.891 551 HG2 LYS 88 1HG LYS 88 -1.560 -18.240 -21.745 552 HG3 LYS 88 2HG LYS 88 -1.876 -18.260 -20.004 553 HD2 LYS 88 1HD LYS 88 -4.377 -18.014 -20.450 554 HD3 LYS 88 2HD LYS 88 -4.069 -17.982 -22.187 555 HE2 LYS 88 1HE LYS 88 -3.179 -20.347 -22.078 556 HE3 LYS 88 2HE LYS 88 -3.465 -20.378 -20.334 557 HZ1 LYS 88 3HZ LYS 88 -5.595 -19.865 -22.338 558 HZ2 LYS 88 1HZ LYS 88 -5.787 -20.174 -20.681 559 HZ3 LYS 88 2HZ LYS 88 -5.234 -21.403 -21.714
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